#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 6.86 0.10 1.61 1.04 -1.26 -4.05 113.70 118.01 3mof s SER 0 Ca 0.00 1.55 -0.34 0.00 0.48 0.00 0.00 55.95 57.64 3mof s SER 0 Cb 0.00 -2.48 -0.13 0.00 0.10 0.00 0.00 66.02 63.51 3mof s SER 0 CO 0.00 -0.33 1.66 0.80 0.98 0.00 0.00 173.24 176.36 3mof n MET 1 N -0.62 2.21 -2.26 4.02 1.56 -1.26 -4.94 117.12 115.83 3mof n MET 1 Ca 0.06 0.80 -0.37 0.00 -0.27 0.00 0.00 57.70 57.92 3mof n MET 1 Cb 0.54 -2.60 -0.01 0.00 2.15 0.00 0.00 33.22 33.30 3mof n MET 1 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3mof s PRO 2 N 1.73 3.68 0.87 2.12 0.04 -1.26 -4.99 135.00 137.20 3mof s PRO 2 Ca 0.82 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 63.50 3mof s PRO 2 Cb -0.67 -2.33 0.12 0.00 0.04 0.00 0.00 34.50 31.66 3mof s PRO 2 CO 0.41 -0.61 1.12 -1.25 0.04 0.00 0.00 177.00 176.71 3mof s PRO 3 N -2.81 1.38 -0.16 0.56 0.05 -1.26 -4.79 135.00 127.98 3mof s PRO 3 Ca 0.65 1.36 -0.30 0.00 0.05 0.00 0.00 61.00 62.76 3mof s PRO 3 Cb -0.28 -1.78 0.13 0.00 0.05 0.00 0.00 34.50 32.62 3mof s PRO 3 CO 0.33 -2.31 1.00 1.14 0.05 0.00 0.00 177.00 177.21 3mof s GLN 4 N -4.74 0.59 0.00 4.56 -2.07 -1.26 -4.90 119.66 111.84 3mof s GLN 4 Ca 0.65 0.13 0.23 0.00 -1.82 0.00 0.00 55.36 54.55 3mof s GLN 4 Cb -0.21 0.28 0.14 0.00 -1.09 0.00 0.00 33.01 32.13 3mof s GLN 4 CO 0.57 -0.19 1.16 1.28 -1.32 0.00 0.00 175.29 176.80 3mof n LEU 5 N 0.69 0.97 0.00 2.60 4.77 -1.26 -4.93 117.00 119.84 3mof n LEU 5 Ca -0.10 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3mof n LEU 5 Cb 0.58 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3mof n LEU 5 CO 0.16 0.22 0.00 1.41 -1.33 0.00 0.00 177.39 177.85 3mof n HIS 6 N -1.22 0.00 -1.50 -1.77 8.25 -1.26 -5.08 115.22 112.64 3mof n HIS 6 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3mof n HIS 6 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3mof n HIS 6 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mof n ASN 7 N 0.00 0.00 -0.24 0.41 3.02 -1.26 -4.91 115.26 112.28 3mof n ASN 7 Ca 0.00 -1.45 0.12 0.00 -0.03 0.00 0.00 54.58 53.23 3mof n ASN 7 Cb 0.00 -0.09 0.22 0.00 -0.61 0.00 0.00 39.78 39.31 3mof n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mof n GLY 8 N 0.00 -0.61 0.08 7.41 0.00 -1.26 -4.54 105.19 106.27 3mof n GLY 8 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.73 0.72 -4.57 0.99 4.77 -1.26 -4.88 117.00 112.05 3mof n LEU 9 Ca 0.10 -0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 3mof n LEU 9 Cb 0.37 0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 3mof n LEU 9 CO 0.30 0.46 0.83 -0.62 -1.33 0.00 0.00 177.39 177.03 3mof s ASP 10 N -4.99 6.50 0.00 -1.43 -1.08 -1.26 -4.92 116.67 109.49 3mof s ASP 10 Ca -0.11 0.13 0.07 0.00 -0.52 0.00 0.00 52.55 52.12 3mof s ASP 10 Cb 0.05 -2.48 0.23 0.00 -1.46 0.00 0.00 42.92 39.26 3mof s ASP 10 CO 0.54 -1.14 1.18 0.49 0.52 0.00 0.00 175.17 176.76 3mof n PHE 11 N 7.43 0.23 -0.30 -5.34 3.72 -1.26 -4.47 117.46 117.46 3mof n PHE 11 Ca 0.07 -0.11 0.11 0.00 -0.05 0.00 0.00 57.45 57.46 3mof n PHE 11 Cb 0.49 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.30 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 1.05 0.43 0.45 4.37 0.02 -1.99 -0.29 113.55 117.59 3mof h SER 12 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3mof h SER 12 Cb 0.24 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3mof h SER 12 CO 0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 3mof n ALA 13 N -2.46 1.45 0.39 3.77 0.00 -1.26 -1.67 120.51 120.73 3mof n ALA 13 Ca 0.20 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.84 3mof n ALA 13 Cb 0.56 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.08 2.43 -2.99 0.00 5.02 -0.12 -4.94 118.16 115.47 3mof n LYS 14 Ca 0.01 -2.20 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 3mof n LYS 14 Cb 0.15 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.52 4.82 -1.02 -0.18 1.01 -0.67 -0.96 120.40 121.89 3mof s VAL 15 Ca 0.36 1.03 0.22 0.00 0.00 0.00 0.00 61.98 63.59 3mof s VAL 15 Cb 0.22 -4.12 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 3mof s VAL 15 CO 0.30 -0.26 0.99 2.30 0.00 0.00 0.00 175.10 178.44 3mof n ILE 16 N 5.55 0.00 -3.71 2.22 -5.35 0.28 -4.86 119.36 113.49 3mof n ILE 16 Ca 0.02 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 3mof n ILE 16 Cb 0.48 0.87 -0.11 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 -2.99 0.39 1.01 6.28 0.74 -1.24 -5.00 119.66 118.86 3mof s GLN 17 Ca 0.09 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.17 3mof s GLN 17 Cb 0.16 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.32 3mof s GLN 17 CO 0.84 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.86 3mof n GLY 18 N 3.77 -1.72 3.46 2.59 0.00 -1.26 -0.96 105.19 111.07 3mof n GLY 18 Ca -0.20 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.71 0.39 1.61 0.15 -1.26 -4.99 113.70 104.90 3mof s SER 19 Ca 0.00 1.27 0.11 0.00 0.70 0.00 0.00 55.95 58.03 3mof s SER 19 Cb 0.00 1.64 0.81 0.00 -1.71 0.00 0.00 66.02 66.76 3mof s SER 19 CO 0.00 -0.22 1.91 -0.07 1.20 0.00 0.00 173.24 176.05 3mof h LEU 20 N 7.83 0.13 -1.98 3.45 3.38 -1.94 -2.63 115.31 123.56 3mof h LEU 20 Ca -0.21 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3mof h LEU 20 Cb 1.13 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3mof h LEU 20 CO 0.14 0.34 -0.11 0.44 0.09 0.00 0.00 178.44 179.35 3mof h ASP 21 N 0.13 0.00 -0.01 -0.43 3.32 -1.96 0.64 116.42 118.11 3mof h ASP 21 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3mof h ASP 21 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3mof h ASP 21 CO 0.03 0.11 -0.57 -1.54 -1.72 0.00 0.00 179.24 175.54 3mof n SER 22 N -3.79 1.80 -4.77 6.45 3.41 -1.00 -1.55 113.62 114.16 3mof n SER 22 Ca -0.02 -1.40 -0.38 0.00 -0.26 0.00 0.00 58.87 56.81 3mof n SER 22 Cb 0.21 0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 64.73 3mof n SER 22 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mof s LEU 23 N -2.55 4.10 0.59 1.04 1.43 -1.09 -4.68 118.68 117.52 3mof s LEU 23 Ca 0.16 2.36 -0.20 0.00 -1.03 0.00 0.00 54.13 55.42 3mof s LEU 23 Cb 0.17 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3mof s LEU 23 CO 0.62 -0.83 1.16 -2.65 0.23 0.00 0.00 176.35 174.88 3mof n PRO 24 N -0.22 1.21 -0.09 1.29 -0.02 -1.26 0.92 135.00 136.83 3mof n PRO 24 Ca 0.06 0.46 -0.07 0.00 -2.02 0.00 0.00 63.50 61.93 3mof n PRO 24 Cb 0.47 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3mof n PRO 24 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3mof h GLN 25 N 0.83 -0.17 0.00 -0.52 5.75 -1.95 0.31 115.11 119.37 3mof h GLN 25 Ca -0.49 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 3mof h GLN 25 Cb 1.34 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.92 3mof h GLN 25 CO 0.53 -0.12 -0.17 0.93 -2.65 0.00 0.00 178.83 177.35 3mof h GLU 26 N -0.18 0.00 -0.09 1.69 4.39 -1.94 -1.77 114.58 116.67 3mof h GLU 26 Ca 0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3mof h GLU 26 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3mof h GLU 26 CO -0.45 0.17 -0.13 0.28 -1.16 0.00 0.00 179.01 177.72 3mof h VAL 27 N 0.00 1.38 -0.54 3.13 2.07 -1.33 -1.86 116.25 119.09 3mof h VAL 27 Ca -0.00 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.23 3mof h VAL 27 Cb 0.64 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.41 3mof h VAL 27 CO 0.02 0.38 0.22 -0.09 0.02 0.00 0.00 177.57 178.13 3mof h ARG 28 N -0.18 0.41 -0.95 1.57 2.43 -0.98 0.30 114.38 116.98 3mof h ARG 28 Ca 0.01 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3mof h ARG 28 Cb 0.68 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 3mof h ARG 28 CO 0.03 0.27 0.63 0.87 -1.51 0.00 0.00 179.97 180.26 3mof h LYS 29 N 0.42 1.24 -0.13 0.20 1.57 -1.28 0.26 116.57 118.85 3mof h LYS 29 Ca 0.26 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3mof h LYS 29 Cb 0.26 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3mof h LYS 29 CO -0.24 0.82 0.04 0.35 -0.57 0.00 0.00 179.45 179.85 3mof h PHE 30 N 1.28 0.21 -0.01 -1.35 3.57 -0.84 -1.01 116.94 118.80 3mof h PHE 30 Ca 0.35 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3mof h PHE 30 Cb -0.14 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 3mof h PHE 30 CO -0.01 0.34 0.00 0.28 -2.23 0.00 0.00 178.31 176.70 3mof h VAL 31 N 0.02 1.13 -0.32 1.41 2.07 -0.37 -2.68 116.25 117.52 3mof h VAL 31 Ca 0.04 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 67.01 3mof h VAL 31 Cb 0.23 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3mof h VAL 31 CO -0.00 0.10 -0.43 -0.08 0.02 0.00 0.00 177.57 177.18 3mof h GLU 32 N -0.15 0.80 -0.52 1.57 4.81 -0.54 -0.49 114.58 120.05 3mof h GLU 32 Ca 0.00 -0.44 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3mof h GLU 32 Cb 0.17 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3mof h GLU 32 CO -0.00 1.07 0.17 0.78 -0.73 0.00 0.00 179.01 180.31 3mof h GLY 33 N 0.86 0.87 2.00 1.92 0.00 -1.22 -0.89 103.07 106.61 3mof h GLY 33 Ca 0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 3mof h GLY 33 CO 0.10 0.47 -0.58 3.43 0.00 0.00 0.00 176.54 179.96 3mof h ASN 34 N 0.72 0.00 -0.64 0.19 2.35 -1.36 -2.56 115.58 114.28 3mof h ASN 34 Ca 0.17 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3mof h ASN 34 Cb 0.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3mof h ASN 34 CO -0.01 0.58 0.32 0.00 -1.65 0.00 0.00 177.43 176.67 3mof h ALA 35 N 1.42 0.82 -0.61 -0.83 0.00 -0.74 0.16 119.26 119.49 3mof h ALA 35 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3mof h ALA 35 Cb 1.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3mof h ALA 35 CO 0.08 0.37 0.35 1.96 0.00 0.00 0.00 179.25 182.00 3mof h GLN 36 N 0.88 0.83 0.05 0.00 4.20 -1.02 0.11 115.11 120.15 3mof h GLN 36 Ca 0.22 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3mof h GLN 36 Cb 0.09 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3mof h GLN 36 CO -0.03 0.60 -0.02 1.25 -0.67 0.00 0.00 178.83 179.96 3mof h LEU 37 N 0.84 -0.05 0.00 1.46 5.85 -1.07 -3.37 115.31 118.97 3mof h LEU 37 Ca 0.22 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3mof h LEU 37 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3mof h LEU 37 CO -0.04 0.66 -0.27 0.00 -0.34 0.00 0.00 178.44 178.45 3mof n GLN 39 N -2.49 -6.63 -1.42 0.00 6.02 0.36 -0.35 117.38 112.87 3mof n GLN 39 Ca 0.04 0.74 -0.34 0.00 -0.01 0.00 0.00 57.00 57.43 3mof n GLN 39 Cb 0.47 -5.67 0.10 0.00 1.02 0.00 0.00 30.24 26.15 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 -6.17 2.11 0.14 -1.09 0.04 -1.26 -3.44 135.00 125.33 3mof s PRO 40 Ca 0.41 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.27 3mof s PRO 40 Cb -0.19 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3mof s PRO 40 CO 0.77 -1.86 1.32 1.49 0.04 0.00 0.00 177.00 178.76 3mof h GLU 41 N -0.31 0.13 -4.27 4.56 4.81 -0.93 -3.46 114.58 115.10 3mof h GLU 41 Ca -0.48 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 58.44 3mof h GLU 41 Cb 1.30 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.57 3mof h GLU 41 CO 0.49 0.99 -0.69 0.71 -0.73 0.00 0.00 179.01 179.78 3mof s TYR 42 N -2.97 0.54 -0.08 0.92 2.02 -1.12 -4.84 117.35 111.80 3mof s TYR 42 Ca -0.02 -0.93 0.01 0.00 -0.37 0.00 0.00 57.07 55.76 3mof s TYR 42 Cb 0.10 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.30 3mof s TYR 42 CO 0.83 -0.30 -0.10 0.42 -1.57 0.00 0.00 175.55 174.82 3mof s ILE 43 N -3.35 1.09 -0.27 2.71 1.01 -0.13 -0.20 121.20 122.06 3mof s ILE 43 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3mof s ILE 43 Cb 0.04 -1.04 0.05 0.00 0.01 0.00 0.00 42.46 41.52 3mof s ILE 43 CO -0.07 0.36 -0.07 -2.28 0.00 0.00 0.00 174.94 172.88 3mof s HIS 44 N 1.07 3.21 -0.29 3.97 5.65 -0.20 -0.56 115.29 128.14 3mof s HIS 44 Ca -0.07 -2.02 -0.22 0.00 0.25 0.00 0.00 55.06 53.01 3mof s HIS 44 Cb -0.14 -2.01 -0.01 0.00 -1.18 0.00 0.00 32.58 29.24 3mof s HIS 44 CO -0.01 -0.83 0.69 0.42 -0.65 0.00 0.00 174.74 174.36 3mof s ILE 45 N 1.20 4.90 0.25 0.89 1.01 -0.13 -0.73 121.20 128.58 3mof s ILE 45 Ca -0.06 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 3mof s ILE 45 Cb -0.19 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 3mof s ILE 45 CO -0.04 -0.13 1.27 0.00 0.00 0.00 0.00 174.94 176.04 3mof n ASP 47 N 1.87 0.84 0.00 0.00 5.68 -1.26 -4.11 116.55 119.57 3mof n ASP 47 Ca 0.03 -0.72 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 3mof n ASP 47 Cb 0.43 1.17 0.00 0.00 -1.14 0.00 0.00 41.12 41.57 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 1.42 0.86 3.74 6.12 0.00 -1.26 -2.12 105.19 113.96 3mof n GLY 48 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.76 4.57 0.33 1.61 1.04 -1.26 -4.91 113.70 112.32 3mof s SER 49 Ca 0.00 2.17 0.03 0.00 0.48 0.00 0.00 55.95 58.63 3mof s SER 49 Cb 0.00 -2.57 0.57 0.00 0.10 0.00 0.00 66.02 64.13 3mof s SER 49 CO 0.00 -2.00 1.87 -0.33 0.98 0.00 0.00 173.24 173.76 3mof h GLU 50 N -0.24 0.57 -0.29 4.02 5.08 -1.99 -1.92 114.58 119.81 3mof h GLU 50 Ca -0.47 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 57.72 3mof h GLU 50 Cb 1.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3mof h GLU 50 CO 0.51 0.58 -0.03 1.05 -1.00 0.00 0.00 179.01 180.13 3mof h GLU 51 N 0.55 0.53 -0.56 2.33 9.09 -1.99 0.40 114.58 124.93 3mof h GLU 51 Ca 0.12 -0.18 0.09 0.00 0.05 0.00 0.00 59.36 59.44 3mof h GLU 51 Cb 0.32 -0.04 -0.07 0.00 -1.65 0.00 0.00 28.75 27.31 3mof h GLU 51 CO 0.01 0.70 0.19 1.49 0.05 0.00 0.00 179.01 181.44 3mof h GLU 52 N 0.31 0.34 -0.06 1.06 4.81 -1.90 -1.11 114.58 118.03 3mof h GLU 52 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3mof h GLU 52 Cb 0.48 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3mof h GLU 52 CO 0.02 0.23 0.01 -0.92 -0.73 0.00 0.00 179.01 177.62 3mof h TYR 53 N 0.35 0.10 -0.19 0.92 3.20 -0.90 -1.94 116.97 118.51 3mof h TYR 53 Ca 0.28 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.17 3mof h TYR 53 Cb 0.35 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3mof h TYR 53 CO -0.18 0.30 0.01 0.78 -1.64 0.00 0.00 178.16 177.44 3mof h GLY 54 N -0.14 0.19 1.01 1.82 0.00 0.09 -1.14 103.07 104.90 3mof h GLY 54 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3mof h GLY 54 CO 0.00 -0.02 0.24 3.21 0.00 0.00 0.00 176.54 179.97 3mof h ARG 55 N 0.08 0.95 -0.61 4.80 3.08 -1.24 -0.11 114.38 121.33 3mof h ARG 55 Ca 0.09 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3mof h ARG 55 Cb 0.10 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3mof h ARG 55 CO -0.13 0.81 0.25 1.25 -1.07 0.00 0.00 179.97 181.08 3mof h LEU 56 N 0.89 0.84 -0.16 3.04 5.85 -1.10 0.14 115.31 124.80 3mof h LEU 56 Ca 0.21 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3mof h LEU 56 Cb 0.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3mof h LEU 56 CO -0.01 0.77 0.06 -0.07 -0.34 0.00 0.00 178.44 178.85 3mof h LEU 57 N 0.85 0.07 -0.96 2.25 3.38 -0.99 -1.55 115.31 118.36 3mof h LEU 57 Ca 0.20 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3mof h LEU 57 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3mof h LEU 57 CO -0.02 0.07 0.62 0.00 0.09 0.00 0.00 178.44 179.20 3mof h ALA 58 N 1.10 1.31 -0.45 1.53 0.00 -0.62 -0.67 119.26 121.46 3mof h ALA 58 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3mof h ALA 58 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3mof h ALA 58 CO -0.07 0.43 0.20 1.25 0.00 0.00 0.00 179.25 181.07 3mof h HIS 59 N 1.15 0.66 -0.14 0.00 -0.00 -0.41 -1.63 115.15 114.79 3mof h HIS 59 Ca 0.40 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.68 3mof h HIS 59 Cb 0.11 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3mof h HIS 59 CO -0.01 0.55 -0.16 0.52 -0.00 0.00 0.00 177.93 178.82 3mof h MET 60 N 0.59 0.22 0.17 5.26 2.07 -0.88 -2.25 114.93 120.11 3mof h MET 60 Ca 0.15 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.72 3mof h MET 60 Cb 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.85 3mof h MET 60 CO -0.02 0.39 -0.08 0.37 1.07 0.00 0.00 176.91 178.64 3mof h GLN 61 N 0.21 -0.22 0.00 1.72 4.15 -0.46 -0.60 115.11 119.92 3mof h GLN 61 Ca 0.04 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3mof h GLN 61 Cb 0.42 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3mof h GLN 61 CO 0.03 -0.04 -0.26 1.05 -1.93 0.00 0.00 178.83 177.68 3mof h GLU 62 N -0.35 0.00 -0.00 1.69 4.11 -1.21 -1.87 114.58 116.95 3mof h GLU 62 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3mof h GLU 62 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3mof h GLU 62 CO 0.04 0.26 -0.01 0.39 0.07 0.00 0.00 179.01 179.75 3mof n GLU 63 N -4.08 0.74 -1.10 1.06 1.02 -0.86 -4.92 120.64 112.51 3mof n GLU 63 Ca -0.02 -0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 3mof n GLU 63 Cb 0.32 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.16 0.57 0.09 0.62 0.00 -0.70 -4.91 105.19 102.01 3mof n GLY 64 Ca 0.19 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 1.49 -3.80 1.61 2.07 -1.35 -3.46 116.25 112.81 3mof h VAL 65 Ca -0.07 -3.12 -0.27 0.00 0.82 0.00 0.00 66.70 64.06 3mof h VAL 65 Cb 0.52 2.88 -0.15 0.00 -1.52 0.00 0.00 31.29 33.02 3mof h VAL 65 CO 0.10 0.89 -0.67 0.27 0.02 0.00 0.00 177.57 178.19 3mof s ILE 66 N -2.66 0.66 0.05 4.57 -4.36 -1.11 -4.51 121.20 113.83 3mof s ILE 66 Ca -0.03 -1.97 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 3mof s ILE 66 Cb 0.08 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 3mof s ILE 66 CO 0.86 -0.54 -0.26 -0.13 0.24 0.00 0.00 174.94 175.11 3mof s ARG 67 N -3.91 1.77 0.17 0.37 0.52 -0.10 -4.13 118.95 113.64 3mof s ARG 67 Ca 0.22 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 3mof s ARG 67 Cb 0.06 -1.95 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 3mof s ARG 67 CO 0.02 0.50 1.13 0.21 0.02 0.00 0.00 175.30 177.19 3mof s LYS 68 N -1.24 4.56 -0.84 3.54 2.20 -1.26 -0.15 119.74 126.54 3mof s LYS 68 Ca 0.11 1.76 -0.16 0.00 -0.36 0.00 0.00 55.97 57.32 3mof s LYS 68 Cb -0.10 -3.27 0.17 0.00 -1.51 0.00 0.00 37.83 33.12 3mof s LYS 68 CO 0.02 0.01 0.90 -0.51 -0.36 0.00 0.00 175.35 175.41 3mof s LEU 69 N -0.24 5.96 0.05 5.43 1.43 -0.41 -4.88 118.68 126.02 3mof s LEU 69 Ca 0.51 -2.31 0.16 0.00 -1.03 0.00 0.00 54.13 51.45 3mof s LEU 69 Cb -0.30 -2.29 0.68 0.00 0.03 0.00 0.00 46.19 44.30 3mof s LEU 69 CO 0.35 -0.82 1.50 2.29 0.23 0.00 0.00 176.35 179.91 3mof n LYS 70 N 5.21 0.04 0.24 1.70 2.85 -1.15 -1.77 118.16 125.28 3mof n LYS 70 Ca 0.15 0.29 0.13 0.00 -1.05 0.00 0.00 58.31 57.82 3mof n LYS 70 Cb 0.47 -1.57 0.55 0.00 -0.65 0.00 0.00 35.03 33.83 3mof n LYS 70 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3mof h LYS 71 N 0.00 0.00 0.00 -1.58 3.64 -1.45 -3.46 116.57 113.71 3mof h LYS 71 Ca 0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 3mof h LYS 71 Cb 0.27 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 3mof h LYS 71 CO 0.00 0.14 -0.29 0.66 -2.27 0.00 0.00 179.45 177.70 3mof n TYR 72 N -3.31 -0.15 -3.44 1.91 4.01 -0.73 -5.01 117.16 110.44 3mof n TYR 72 Ca 0.00 -2.00 -0.43 0.00 -0.16 0.00 0.00 57.90 55.32 3mof n TYR 72 Cb 0.38 -0.34 -0.10 0.00 -0.31 0.00 0.00 39.34 38.97 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 -3.57 6.12 -1.42 7.72 2.15 -1.02 -4.54 116.67 122.11 3mof s ASP 73 Ca 0.17 -0.86 -0.02 0.00 0.43 0.00 0.00 52.55 52.27 3mof s ASP 73 Cb -0.01 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.45 3mof s ASP 73 CO 0.11 -0.46 0.49 -3.20 -0.17 0.00 0.00 175.17 171.94 3mof n ASN 74 N 5.22 -0.76 -4.55 -0.34 5.15 -1.26 -1.01 115.26 117.70 3mof n ASN 74 Ca -0.11 -0.98 -0.27 0.00 -0.60 0.00 0.00 54.58 52.63 3mof n ASN 74 Cb 0.47 -3.18 -0.10 0.00 -0.53 0.00 0.00 39.78 36.45 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 -1.68 0.23 -0.11 0.00 0.52 -0.64 -1.29 118.94 115.97 3mof s TRP 76 Ca 0.24 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.85 3mof s TRP 76 Cb -0.09 -0.17 0.02 0.00 -1.15 0.00 0.00 33.47 32.08 3mof s TRP 76 CO 0.14 -0.32 -0.13 -1.17 0.02 0.00 0.00 176.95 175.49 3mof s LEU 77 N -1.97 1.60 -0.10 2.99 2.96 0.79 0.15 118.68 125.11 3mof s LEU 77 Ca -0.07 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3mof s LEU 77 Cb -0.03 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 3mof s LEU 77 CO -0.04 -0.02 -0.07 0.00 -1.32 0.00 0.00 176.35 174.91 3mof s ALA 78 N 1.15 2.94 -0.12 5.97 0.00 0.14 -0.92 121.76 130.91 3mof s ALA 78 Ca -0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 3mof s ALA 78 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 3mof s ALA 78 CO -0.03 0.44 -0.12 -0.51 0.00 0.00 0.00 175.76 175.54 3mof s LEU 79 N -0.37 2.81 0.45 0.00 1.43 -1.26 -1.13 118.68 120.60 3mof s LEU 79 Ca 0.05 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3mof s LEU 79 Cb -0.12 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.48 3mof s LEU 79 CO 0.02 0.19 0.63 0.42 0.23 0.00 0.00 176.35 177.84 3mof s THR 80 N 0.20 3.23 0.18 5.49 -4.23 -1.26 -4.74 115.64 114.52 3mof s THR 80 Ca -0.07 -0.83 -0.32 0.00 -1.18 0.00 0.00 61.69 59.29 3mof s THR 80 Cb -0.15 -3.14 -0.11 0.00 1.34 0.00 0.00 72.50 70.44 3mof s THR 80 CO 0.05 -0.07 1.61 -0.62 -0.54 0.00 0.00 174.62 175.05 3mof s ASP 81 N -4.32 6.52 0.00 3.99 -1.08 -1.26 -4.90 116.67 115.62 3mof s ASP 81 Ca 0.53 2.70 0.08 0.00 -0.52 0.00 0.00 52.55 55.34 3mof s ASP 81 Cb -0.10 -2.60 0.38 0.00 -1.46 0.00 0.00 42.92 39.15 3mof s ASP 81 CO 0.35 -0.87 1.11 -0.81 0.52 0.00 0.00 175.17 175.47 3mof n PRO 82 N 3.86 0.11 0.00 4.34 -0.04 -1.26 -0.97 135.00 141.04 3mof n PRO 82 Ca 0.14 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3mof n PRO 82 Cb 0.37 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.29 0.04 -3.51 0.54 1.74 -1.26 -4.47 116.66 108.45 3mof n ARG 83 Ca 0.04 -0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3mof n ARG 83 Cb 0.06 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.46 2.39 0.00 0.55 2.03 -0.14 -4.87 116.55 115.05 3mof n ASP 84 Ca 0.07 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.26 3mof n ASP 84 Cb 0.33 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 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 1.50 0.00 -3.82 5.18 0.24 -1.26 -4.62 118.33 115.55 3mof n VAL 85 Ca 0.26 -0.34 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 3mof n VAL 85 Cb 0.42 1.19 0.01 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.29 -1.27 0.68 2.33 0.00 -1.26 -4.82 121.76 117.13 3mof s ALA 86 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 3mof s ALA 86 Cb 0.00 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3mof s ALA 86 CO 0.00 -1.03 1.27 1.03 0.00 0.00 0.00 175.76 177.03 3mof s ARG 87 N -2.80 2.36 -0.26 0.00 0.52 -1.09 -4.89 118.95 112.79 3mof s ARG 87 Ca 0.16 1.98 0.01 0.00 -0.52 0.00 0.00 55.73 57.35 3mof s ARG 87 Cb -0.04 -1.83 0.07 0.00 0.52 0.00 0.00 34.95 33.67 3mof s ARG 87 CO 0.07 -1.72 -0.02 0.42 0.02 0.00 0.00 175.30 174.07 3mof s ILE 88 N -1.59 1.56 0.26 1.52 1.01 -1.26 -3.39 121.20 119.31 3mof s ILE 88 Ca 0.80 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 60.07 3mof s ILE 88 Cb -0.35 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3mof s ILE 88 CO 0.42 -0.25 1.65 -0.33 0.00 0.00 0.00 174.94 176.43 3mof h GLU 89 N 7.92 0.37 0.00 2.79 5.08 -1.95 -2.66 114.58 126.13 3mof h GLU 89 Ca -0.15 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3mof h GLU 89 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3mof h GLU 89 CO 0.44 0.73 0.00 0.66 -1.00 0.00 0.00 179.01 179.83 3mof h SER 90 N 0.31 0.00 -0.24 1.42 4.64 -2.02 -2.68 113.55 114.99 3mof h SER 90 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3mof h SER 90 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3mof h SER 90 CO 0.07 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 3mof n LYS 91 N -2.36 2.74 -3.99 4.77 5.02 -1.01 -4.94 118.16 118.39 3mof n LYS 91 Ca 0.01 -2.59 -0.35 0.00 -2.02 0.00 0.00 58.31 53.37 3mof n LYS 91 Cb 0.21 -1.65 -0.14 0.00 -0.02 0.00 0.00 35.03 33.43 3mof n LYS 91 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mof s THR 92 N -2.37 3.17 0.07 -0.18 2.01 -1.01 -0.59 115.64 116.74 3mof s THR 92 Ca 0.35 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.81 3mof s THR 92 Cb 0.27 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 3mof s THR 92 CO 0.09 0.45 -0.09 0.68 -0.69 0.00 0.00 174.62 175.06 3mof s VAL 93 N 1.38 0.74 -0.04 3.82 -7.23 0.21 -4.35 120.40 114.93 3mof s VAL 93 Ca 0.05 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 58.84 3mof s VAL 93 Cb -0.14 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 3mof s VAL 93 CO -0.04 -0.53 -0.25 -0.63 -0.31 0.00 0.00 175.10 173.34 3mof s ILE 94 N -2.17 2.03 -0.24 -0.62 1.01 0.24 -1.53 121.20 119.90 3mof s ILE 94 Ca -0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 3mof s ILE 94 Cb -0.05 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3mof s ILE 94 CO -0.01 0.57 0.06 -0.63 0.00 0.00 0.00 174.94 174.93 3mof s ILE 95 N -0.33 4.27 0.06 2.92 1.09 0.05 -1.65 121.20 127.61 3mof s ILE 95 Ca 0.02 -0.19 -0.06 0.00 -1.10 0.00 0.00 60.65 59.33 3mof s ILE 95 Cb -0.12 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.27 3mof s ILE 95 CO 0.02 0.35 0.10 0.42 -0.10 0.00 0.00 174.94 175.73 3mof s THR 96 N 1.55 0.16 0.19 2.92 -4.23 -1.26 -4.22 115.64 110.76 3mof s THR 96 Ca 0.06 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 59.10 3mof s THR 96 Cb -0.15 -1.28 0.11 0.00 1.34 0.00 0.00 72.50 72.51 3mof s THR 96 CO 0.03 -0.75 1.81 -0.61 -0.54 0.00 0.00 174.62 174.57 3mof h GLN 97 N 3.10 0.89 -6.09 3.99 5.75 -1.98 -3.40 115.11 117.38 3mof h GLN 97 Ca -0.34 -0.10 -0.69 0.00 -0.15 0.00 0.00 58.65 57.38 3mof h GLN 97 Cb 1.18 -0.18 -0.27 0.00 1.07 0.00 0.00 27.48 29.28 3mof h GLN 97 CO 0.58 0.66 -0.82 -1.21 -2.65 0.00 0.00 178.83 175.39 3mof s GLU 98 N -5.89 2.63 0.29 1.69 2.02 -1.26 -4.94 118.70 113.24 3mof s GLU 98 Ca -0.13 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.06 3mof s GLU 98 Cb 0.14 -2.32 0.44 0.00 0.10 0.00 0.00 34.13 32.48 3mof s GLU 98 CO 0.78 0.47 1.94 0.37 0.02 0.00 0.00 175.26 178.84 3mof h GLN 99 N 5.82 1.10 0.00 1.61 4.15 -1.93 -2.40 115.11 123.46 3mof h GLN 99 Ca -0.38 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 3mof h GLN 99 Cb 1.17 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 3mof h GLN 99 CO 0.50 0.73 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.98 3mof h ARG 100 N 1.14 0.00 0.00 1.69 2.43 -1.94 0.43 114.38 118.13 3mof h ARG 100 Ca 0.35 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.46 3mof h ARG 100 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3mof h ARG 100 CO -0.10 0.05 -0.26 -0.44 -1.51 0.00 0.00 179.97 177.72 3mof h ASP 101 N 0.00 0.00 0.06 -3.80 3.32 -1.85 -3.34 116.42 110.81 3mof h ASP 101 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3mof h ASP 101 Cb 0.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3mof h ASP 101 CO 0.01 0.26 -2.21 0.41 -1.72 0.00 0.00 179.24 175.98 3mof n THR 102 N -3.64 1.63 -3.90 0.35 -1.04 0.06 -1.71 114.28 106.04 3mof n THR 102 Ca -0.01 -0.58 -0.11 0.00 -2.04 0.00 0.00 64.05 61.31 3mof n THR 102 Cb 0.38 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.18 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 -2.53 0.09 0.67 12.58 -7.23 -0.71 -2.60 120.40 120.67 3mof s VAL 103 Ca -0.29 -0.75 -0.17 0.00 -1.81 0.00 0.00 61.98 58.96 3mof s VAL 103 Cb 0.08 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.64 3mof s VAL 103 CO 0.68 -0.41 1.28 -2.84 -0.31 0.00 0.00 175.10 173.50 3mof s PRO 104 N -1.40 2.42 -0.43 4.82 0.02 -1.26 -3.86 135.00 135.31 3mof s PRO 104 Ca -0.15 2.01 -0.29 0.00 0.02 0.00 0.00 61.00 62.60 3mof s PRO 104 Cb -0.08 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.63 3mof s PRO 104 CO 0.01 -1.69 1.09 0.42 -0.33 0.00 0.00 177.00 176.51 3mof s ILE 105 N -1.51 4.33 0.36 2.83 -1.09 -1.26 -4.94 121.20 119.91 3mof s ILE 105 Ca 0.81 1.32 -0.26 0.00 -2.23 0.00 0.00 60.65 60.29 3mof s ILE 105 Cb -0.36 -4.53 -0.09 0.00 -1.58 0.00 0.00 42.46 35.90 3mof s ILE 105 CO 0.41 -0.83 1.06 -2.16 -1.23 0.00 0.00 174.94 172.18 3mof s PRO 106 N 4.14 4.33 0.20 2.79 0.04 -1.26 -4.80 135.00 140.45 3mof s PRO 106 Ca 0.46 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 3mof s PRO 106 Cb -0.09 -2.76 0.12 0.00 0.04 0.00 0.00 34.50 31.82 3mof s PRO 106 CO 0.26 -0.01 1.73 0.87 0.04 0.00 0.00 177.00 179.90 3mof h LYS 107 N 2.95 1.15 0.00 4.56 1.57 -1.10 -2.93 116.57 122.77 3mof h LYS 107 Ca -0.48 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.00 3mof h LYS 107 Cb 1.21 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3mof h LYS 107 CO 0.64 0.99 -0.20 0.66 -0.57 0.00 0.00 179.45 180.97 3mof h SER 108 N 1.09 0.00 0.00 0.86 4.64 -1.92 -3.47 113.55 114.75 3mof h SER 108 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3mof h SER 108 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3mof h SER 108 CO -0.00 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3mof n GLY 109 N 0.43 0.42 3.08 -0.77 0.00 -1.11 -5.03 105.19 102.21 3mof n GLY 109 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3mof n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mof s GLN 110 N -0.80 2.68 0.18 1.61 -0.21 -1.26 -4.93 119.66 116.93 3mof s GLN 110 Ca 0.00 -0.80 -0.24 0.00 0.02 0.00 0.00 55.36 54.35 3mof s GLN 110 Cb 0.00 -2.46 -0.08 0.00 1.00 0.00 0.00 33.01 31.47 3mof s GLN 110 CO 0.00 -0.26 0.76 0.45 -2.12 0.00 0.00 175.29 174.12 3mof s SER 111 N 1.34 7.29 -0.12 5.90 0.15 -1.26 -4.90 113.70 122.09 3mof s SER 111 Ca 0.03 1.58 0.15 0.00 0.70 0.00 0.00 55.95 58.41 3mof s SER 111 Cb -0.14 -2.48 0.49 0.00 -1.71 0.00 0.00 66.02 62.19 3mof s SER 111 CO -0.11 0.16 1.41 0.00 1.20 0.00 0.00 173.24 175.89 3mof n GLN 112 N 1.33 3.08 -0.05 5.44 6.02 -1.26 -4.55 117.38 127.39 3mof n GLN 112 Ca -0.05 -2.63 0.07 0.00 -0.01 0.00 0.00 57.00 54.38 3mof n GLN 112 Cb 0.49 -1.70 0.10 0.00 1.02 0.00 0.00 30.24 30.15 3mof n GLN 112 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3mof n LEU 113 N -0.01 2.26 0.00 1.08 4.77 -1.26 -4.95 117.00 118.88 3mof n LEU 113 Ca 0.19 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 3mof n LEU 113 Cb 0.77 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3mof n LEU 113 CO 0.15 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3mof n GLY 114 N -1.13 1.44 2.78 -0.72 0.00 -1.26 -4.73 105.19 101.58 3mof n GLY 114 Ca 0.11 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 3mof n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mof s ARG 115 N -1.65 0.60 -0.08 1.61 3.52 -1.26 -4.80 118.95 116.89 3mof s ARG 115 Ca 0.00 0.09 -0.08 0.00 -0.13 0.00 0.00 55.73 55.61 3mof s ARG 115 Cb 0.00 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.42 3mof s ARG 115 CO 0.00 -0.27 0.20 -0.46 -0.81 0.00 0.00 175.30 173.96 3mof s TRP 116 N 1.82 3.61 -0.02 5.12 -0.00 -1.26 -0.60 118.94 127.62 3mof s TRP 116 Ca 0.03 0.59 0.02 0.00 -0.00 0.00 0.00 56.10 56.74 3mof s TRP 116 Cb -0.12 -1.99 0.01 0.00 -0.00 0.00 0.00 33.47 31.36 3mof s TRP 116 CO -0.04 0.70 -0.06 1.41 -0.00 0.00 0.00 176.95 178.96 3mof s MET 117 N -1.19 0.65 0.68 5.86 -2.45 -0.66 -4.89 119.30 117.31 3mof s MET 117 Ca 0.19 -0.19 -0.16 0.00 -1.25 0.00 0.00 55.69 54.28 3mof s MET 117 Cb -0.13 -0.64 0.01 0.00 1.25 0.00 0.00 34.83 35.32 3mof s MET 117 CO 0.08 0.06 1.18 -1.54 1.05 0.00 0.00 175.02 175.85 3mof s SER 118 N 0.25 4.65 0.31 1.11 1.04 -1.26 -4.02 113.70 115.78 3mof s SER 118 Ca -0.03 2.25 0.02 0.00 0.48 0.00 0.00 55.95 58.67 3mof s SER 118 Cb -0.07 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 64.04 3mof s SER 118 CO -0.00 -1.95 1.92 -0.08 0.98 0.00 0.00 173.24 174.11 3mof h GLU 119 N 0.01 0.94 -0.08 4.02 4.22 -1.92 -0.28 114.58 121.49 3mof h GLU 119 Ca -0.48 -0.06 -0.20 0.00 0.08 0.00 0.00 59.36 58.70 3mof h GLU 119 Cb 1.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3mof h GLU 119 CO 0.52 0.62 -0.78 1.05 -2.18 0.00 0.00 179.01 178.24 3mof h GLU 120 N 0.97 0.50 -0.46 1.92 4.11 -1.97 -0.96 114.58 118.70 3mof h GLU 120 Ca 0.38 -0.43 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 3mof h GLU 120 Cb 0.22 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3mof h GLU 120 CO -0.14 1.07 0.13 -0.44 0.07 0.00 0.00 179.01 179.70 3mof h ASP 121 N 0.33 0.67 -0.75 3.06 5.19 -1.86 -2.79 116.42 120.28 3mof h ASP 121 Ca -0.05 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 3mof h ASP 121 Cb 1.38 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 3mof h ASP 121 CO 0.14 0.71 0.48 0.15 -3.12 0.00 0.00 179.24 177.61 3mof h PHE 122 N 0.60 0.95 -0.72 4.55 3.57 -0.96 -1.81 116.94 123.12 3mof h PHE 122 Ca 0.15 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3mof h PHE 122 Cb 0.29 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3mof h PHE 122 CO 0.02 0.61 0.43 1.49 -2.23 0.00 0.00 178.31 178.62 3mof h GLU 123 N 1.01 0.77 -0.40 1.11 4.57 -1.00 0.13 114.58 120.77 3mof h GLU 123 Ca 0.27 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3mof h GLU 123 Cb -0.10 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.30 3mof h GLU 123 CO -0.06 0.51 0.20 0.87 -1.18 0.00 0.00 179.01 179.36 3mof h LYS 124 N 0.79 0.58 -0.91 1.92 1.57 -1.27 -1.20 116.57 118.05 3mof h LYS 124 Ca 0.31 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3mof h LYS 124 Cb 0.15 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 3mof h LYS 124 CO -0.16 0.49 0.60 0.00 -0.57 0.00 0.00 179.45 179.81 3mof h ALA 125 N 1.05 1.18 -0.32 3.86 0.00 -0.73 -2.02 119.26 122.27 3mof h ALA 125 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3mof h ALA 125 Cb 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3mof h ALA 125 CO -0.02 0.52 0.02 0.35 0.00 0.00 0.00 179.25 180.12 3mof h PHE 126 N 1.21 0.60 0.00 0.00 3.57 -0.47 -2.68 116.94 119.17 3mof h PHE 126 Ca 0.35 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3mof h PHE 126 Cb -0.09 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 3mof h PHE 126 CO -0.01 0.66 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.59 3mof h ASN 127 N 0.37 0.00 -0.01 0.41 2.35 -1.10 -1.16 115.58 116.44 3mof h ASN 127 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3mof h ASN 127 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3mof h ASN 127 CO 0.01 0.24 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 3mof n ALA 128 N -2.37 2.66 0.07 -0.83 0.00 -0.77 -4.48 120.51 114.79 3mof n ALA 128 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3mof n ALA 128 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.78 0.00 0.07 0.00 1.74 -0.84 -4.97 116.66 111.89 3mof n ARG 129 Ca 0.21 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.19 3mof n ARG 129 Cb 0.14 -0.37 -0.13 0.00 -1.02 0.00 0.00 32.46 31.08 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 0.16 -2.16 -1.55 -1.00 -1.47 -3.40 116.94 107.52 3mof h PHE 130 Ca 0.00 -0.12 -0.59 0.00 2.81 0.00 0.00 57.97 60.07 3mof h PHE 130 Cb 0.03 -0.01 0.03 0.00 3.61 0.00 0.00 35.95 39.61 3mof h PHE 130 CO 0.00 1.09 1.05 -2.30 -1.61 0.00 0.00 178.31 176.55 3mof n PRO 131 N -3.40 2.31 -1.06 1.51 -0.02 -1.26 -1.20 135.00 131.87 3mof n PRO 131 Ca -0.03 0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 3mof n PRO 131 Cb 0.97 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 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 4.20 0.46 0.26 -1.23 0.00 0.38 -4.90 105.19 104.37 3mof n GLY 132 Ca 0.21 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.16 3.82 -1.62 0.00 2.81 0.53 -2.88 117.12 116.62 3mof n MET 134 Ca 0.01 -2.93 -0.52 0.00 -1.81 0.00 0.00 57.70 52.45 3mof n MET 134 Cb 0.35 -1.92 -0.06 0.00 -0.71 0.00 0.00 33.22 30.88 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 1.16 1.27 -0.98 0.03 3.00 -1.04 -0.77 118.16 120.84 3mof n LYS 135 Ca 0.26 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 3mof n LYS 135 Cb 0.91 -2.13 0.00 0.00 0.00 0.00 0.00 35.03 33.82 3mof n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mof n GLY 136 N 2.95 0.35 3.64 3.14 0.00 -1.26 -0.83 105.19 113.19 3mof n GLY 136 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.71 2.09 -0.02 1.61 0.52 0.05 -4.82 118.95 117.67 3mof s ARG 137 Ca 0.00 -1.79 -0.23 0.00 -0.52 0.00 0.00 55.73 53.19 3mof s ARG 137 Cb 0.00 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.51 3mof s ARG 137 CO 0.00 0.08 0.68 0.99 0.02 0.00 0.00 175.30 177.08 3mof s THR 138 N -2.55 4.93 -0.40 0.02 2.01 -1.26 -0.49 115.64 117.90 3mof s THR 138 Ca 0.36 1.42 -0.21 0.00 0.31 0.00 0.00 61.69 63.57 3mof s THR 138 Cb 0.01 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.52 3mof s THR 138 CO 0.20 0.33 0.64 -0.32 -0.69 0.00 0.00 174.62 174.78 3mof s MET 139 N 0.31 3.45 0.15 4.92 1.75 0.71 -4.23 119.30 126.36 3mof s MET 139 Ca 0.36 -0.19 -0.24 0.00 -1.25 0.00 0.00 55.69 54.36 3mof s MET 139 Cb -0.18 -3.89 -0.08 0.00 2.84 0.00 0.00 34.83 33.52 3mof s MET 139 CO 0.19 -0.90 0.75 0.71 -0.65 0.00 0.00 175.02 175.12 3mof s TYR 140 N 2.79 3.89 -0.30 4.11 1.51 0.54 -1.04 117.35 128.85 3mof s TYR 140 Ca 0.24 1.58 -0.03 0.00 -1.01 0.00 0.00 57.07 57.84 3mof s TYR 140 Cb -0.14 -2.73 0.04 0.00 -0.11 0.00 0.00 41.96 39.02 3mof s TYR 140 CO 0.17 0.51 0.02 0.08 -1.11 0.00 0.00 175.55 175.23 3mof s VAL 141 N -1.09 3.21 -0.48 0.71 1.01 0.09 -1.73 120.40 122.13 3mof s VAL 141 Ca 0.35 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 3mof s VAL 141 Cb -0.23 -2.79 0.10 0.00 0.00 0.00 0.00 36.38 33.47 3mof s VAL 141 CO 0.25 -0.06 0.37 -0.63 0.00 0.00 0.00 175.10 175.03 3mof s ILE 142 N 1.31 4.66 -0.11 2.22 1.01 0.39 -0.77 121.20 129.92 3mof s ILE 142 Ca -0.03 -1.48 -0.28 0.00 0.00 0.00 0.00 60.65 58.86 3mof s ILE 142 Cb -0.19 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 3mof s ILE 142 CO -0.00 -0.70 0.93 -2.16 0.00 0.00 0.00 174.94 173.01 3mof s PRO 143 N 1.49 4.40 0.02 2.79 0.05 -1.26 -0.87 135.00 141.62 3mof s PRO 143 Ca 0.04 1.24 0.00 0.00 0.05 0.00 0.00 61.00 62.33 3mof s PRO 143 Cb -0.26 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.74 3mof s PRO 143 CO 0.02 -0.25 -0.03 -0.59 0.05 0.00 0.00 177.00 176.20 3mof s PHE 144 N 1.83 0.30 -0.12 0.56 -0.71 -0.03 -1.38 117.98 118.42 3mof s PHE 144 Ca 0.45 -0.56 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 3mof s PHE 144 Cb -0.18 -0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.41 3mof s PHE 144 CO 0.17 -0.20 -0.18 0.45 -1.34 0.00 0.00 175.22 174.13 3mof s SER 145 N -1.56 3.56 -0.37 1.98 0.15 0.68 -0.44 113.70 117.70 3mof s SER 145 Ca -0.14 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 55.89 3mof s SER 145 Cb -0.09 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 3mof s SER 145 CO -0.01 0.15 0.48 -0.04 1.20 0.00 0.00 173.24 175.02 3mof s MET 146 N 0.40 3.50 0.00 5.44 -1.94 0.19 -2.57 119.30 124.31 3mof s MET 146 Ca -0.14 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 3mof s MET 146 Cb -0.17 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.83 3mof s MET 146 CO 0.06 -0.68 0.00 0.41 -0.01 0.00 0.00 175.02 174.81 3mof n GLY 147 N 4.90 0.97 3.56 -0.03 0.00 0.12 -1.77 105.19 112.94 3mof n GLY 147 Ca -0.06 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 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 1.01 0.39 -0.30 1.61 -0.02 -1.26 -4.84 135.00 131.59 3mof n PRO 148 Ca 0.00 0.18 0.07 0.00 -2.02 0.00 0.00 63.50 61.74 3mof n PRO 148 Cb 0.00 -2.09 0.18 0.00 -0.02 0.00 0.00 33.50 31.58 3mof n PRO 148 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3mof h LEU 149 N -0.37 -0.51 0.19 2.45 3.38 -1.94 -2.83 115.31 115.67 3mof h LEU 149 Ca -0.46 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3mof h LEU 149 Cb 1.34 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3mof h LEU 149 CO 0.45 -0.26 -0.09 1.23 0.09 0.00 0.00 178.44 179.86 3mof h GLY 150 N 0.05 -0.26 0.00 0.83 0.00 -1.96 -3.48 103.07 98.24 3mof h GLY 150 Ca 0.47 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3mof h GLY 150 CO -0.80 -0.10 0.00 -1.26 0.00 0.00 0.00 176.54 174.38 3mof n SER 151 N -4.96 0.00 0.06 0.19 2.88 -1.07 -4.65 113.62 106.08 3mof n SER 151 Ca -0.08 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.67 3mof n SER 151 Cb 0.26 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.43 3mof n SER 151 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3mof h PRO 152 N 0.00 0.00 -0.00 -1.46 0.11 -1.93 -0.87 132.00 127.84 3mof h PRO 152 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mof h PRO 152 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3mof h PRO 152 CO 0.00 0.00 -0.50 1.28 -0.21 0.00 0.00 178.00 178.57 3mof n LEU 153 N -3.60 0.76 -4.81 2.35 7.99 -1.26 -4.96 117.00 113.47 3mof n LEU 153 Ca 0.09 -0.16 -0.35 0.00 -0.01 0.00 0.00 56.01 55.58 3mof n LEU 153 Cb 0.74 -0.18 -0.07 0.00 -0.11 0.00 0.00 43.42 43.81 3mof n LEU 153 CO 0.26 0.17 0.60 0.00 -1.51 0.00 0.00 177.39 176.91 3mof s ALA 154 N -2.85 3.18 -0.00 -1.18 0.00 -0.34 -4.95 121.76 115.62 3mof s ALA 154 Ca 0.14 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.50 3mof s ALA 154 Cb 0.18 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 3mof s ALA 154 CO 0.67 0.19 -0.05 0.15 0.00 0.00 0.00 175.76 176.73 3mof s LYS 155 N -2.58 0.40 -0.12 0.00 -0.14 -0.73 -4.98 119.74 111.59 3mof s LYS 155 Ca 0.54 -0.17 -0.07 0.00 -1.36 0.00 0.00 55.97 54.91 3mof s LYS 155 Cb -0.14 -0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 35.59 3mof s LYS 155 CO 0.19 0.10 0.14 0.42 -0.76 0.00 0.00 175.35 175.44 3mof s ILE 156 N -0.10 5.49 0.24 2.17 1.01 -1.26 -0.64 121.20 128.11 3mof s ILE 156 Ca 0.02 0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.97 3mof s ILE 156 Cb -0.02 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3mof s ILE 156 CO -0.00 0.61 -0.17 -0.83 0.00 0.00 0.00 174.94 174.55 3mof s GLY 157 N -0.98 1.65 -0.17 6.18 0.00 0.41 -1.77 107.32 112.65 3mof s GLY 157 Ca 0.15 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.10 3mof s GLY 157 CO 0.04 -1.86 -0.18 -0.42 0.00 0.00 0.00 173.10 170.68 3mof s ILE 158 N -2.76 2.34 -0.14 0.90 -1.09 -0.78 -0.85 121.20 118.82 3mof s ILE 158 Ca 0.26 -0.86 -0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3mof s ILE 158 Cb -0.03 -1.99 -0.03 0.00 -1.58 0.00 0.00 42.46 38.84 3mof s ILE 158 CO 0.11 0.52 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.62 3mof s GLU 159 N 1.10 3.51 -0.16 2.79 2.12 -0.05 -1.02 118.70 126.99 3mof s GLU 159 Ca 0.00 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.80 3mof s GLU 159 Cb -0.14 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 3mof s GLU 159 CO -0.06 0.36 0.01 -0.51 -0.54 0.00 0.00 175.26 174.52 3mof s LEU 160 N 0.04 3.52 0.02 2.70 1.43 0.18 -0.46 118.68 126.11 3mof s LEU 160 Ca 0.01 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3mof s LEU 160 Cb -0.13 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 3mof s LEU 160 CO 0.02 0.19 0.14 0.28 0.23 0.00 0.00 176.35 177.21 3mof s THR 161 N 0.23 0.10 -1.61 5.49 -1.32 -0.70 -0.15 115.64 117.67 3mof s THR 161 Ca 0.01 -0.81 0.17 0.00 -1.21 0.00 0.00 61.69 59.85 3mof s THR 161 Cb -0.13 -0.60 0.58 0.00 -1.51 0.00 0.00 72.50 70.84 3mof s THR 161 CO 0.02 -0.45 1.48 -0.90 -2.21 0.00 0.00 174.62 172.56 3mof n ASP 162 N 1.19 3.72 -4.26 8.08 5.68 -1.23 -0.34 116.55 129.38 3mof n ASP 162 Ca -0.21 -2.18 -0.36 0.00 -0.50 0.00 0.00 54.79 51.53 3mof n ASP 162 Cb 0.57 -0.47 -0.13 0.00 -1.14 0.00 0.00 41.12 39.94 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 -0.92 4.82 0.47 -1.12 0.15 -1.26 -4.78 113.70 111.06 3mof s SER 163 Ca 0.43 -0.89 0.14 0.00 0.70 0.00 0.00 55.95 56.33 3mof s SER 163 Cb 0.25 -1.78 1.09 0.00 -1.71 0.00 0.00 66.02 63.87 3mof s SER 163 CO 0.25 -0.19 2.05 -0.65 1.20 0.00 0.00 173.24 175.90 3mof h PRO 164 N 8.12 0.03 -0.86 5.44 0.10 -1.94 -1.75 132.00 141.15 3mof h PRO 164 Ca -0.30 -0.00 0.03 0.00 0.10 0.00 0.00 66.00 65.83 3mof h PRO 164 Cb 1.11 -0.01 -0.05 0.00 0.10 0.00 0.00 31.00 32.15 3mof h PRO 164 CO 0.58 0.13 0.57 -0.92 0.10 0.00 0.00 178.00 178.46 3mof h TYR 165 N 0.03 1.05 -0.42 0.65 5.03 -1.96 -1.05 116.97 120.30 3mof h TYR 165 Ca 0.01 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 3mof h TYR 165 Cb 0.19 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.10 3mof h TYR 165 CO 0.00 0.63 -0.08 0.28 -1.32 0.00 0.00 178.16 177.67 3mof h VAL 166 N 1.11 1.27 -0.02 1.81 2.07 -1.68 -1.75 116.25 119.06 3mof h VAL 166 Ca 0.33 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3mof h VAL 166 Cb -0.03 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3mof h VAL 166 CO -0.09 0.40 -0.09 0.58 0.02 0.00 0.00 177.57 178.38 3mof h VAL 167 N 0.63 0.76 -0.19 2.57 2.07 -0.96 0.68 116.25 121.81 3mof h VAL 167 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3mof h VAL 167 Cb 0.60 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3mof h VAL 167 CO 0.04 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.70 3mof h ALA 168 N 0.86 0.24 -0.88 1.67 0.00 -1.16 -1.57 119.26 118.41 3mof h ALA 168 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3mof h ALA 168 Cb 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3mof h ALA 168 CO -0.11 -0.16 0.51 0.77 0.00 0.00 0.00 179.25 180.26 3mof h SER 169 N 0.14 1.08 0.27 0.00 0.02 -1.18 -2.30 113.55 111.57 3mof h SER 169 Ca 0.06 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 3mof h SER 169 Cb 0.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3mof h SER 169 CO -0.00 0.84 -0.33 0.24 -1.14 0.00 0.00 176.83 176.44 3mof h MET 170 N 1.23 0.10 -0.49 3.45 2.86 -0.68 0.06 114.93 121.46 3mof h MET 170 Ca 0.31 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 3mof h MET 170 Cb -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3mof h MET 170 CO -0.06 0.42 0.33 -0.09 1.06 0.00 0.00 176.91 178.57 3mof h ARG 171 N 0.09 0.64 0.16 1.72 2.43 -0.70 -0.29 114.38 118.41 3mof h ARG 171 Ca 0.01 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 3mof h ARG 171 Cb 0.63 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3mof h ARG 171 CO 0.05 0.42 -1.09 0.82 -1.51 0.00 0.00 179.97 178.66 3mof h ILE 172 N 0.66 1.35 0.00 1.20 2.04 -1.24 -3.39 117.51 118.13 3mof h ILE 172 Ca 0.18 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3mof h ILE 172 Cb -0.06 3.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3mof h ILE 172 CO -0.04 0.73 -0.48 0.23 0.00 0.00 0.00 178.15 178.60 3mof n MET 173 N -4.00 0.16 -4.32 2.37 2.81 -0.06 -3.06 117.12 111.02 3mof n MET 173 Ca -0.17 0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.61 3mof n MET 173 Cb 0.89 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 31.69 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 -3.09 0.54 -0.26 2.03 -4.23 -0.14 -1.07 115.64 109.43 3mof s THR 174 Ca 0.09 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.36 3mof s THR 174 Cb 0.15 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3mof s THR 174 CO 0.69 0.00 0.79 -0.13 -0.54 0.00 0.00 174.62 175.43 3mof s ARG 175 N -4.03 4.13 -0.09 3.99 3.00 -1.06 -4.62 118.95 120.27 3mof s ARG 175 Ca 0.38 0.81 0.02 0.00 0.00 0.00 0.00 55.73 56.94 3mof s ARG 175 Cb 0.08 -3.66 0.02 0.00 0.00 0.00 0.00 34.95 31.38 3mof s ARG 175 CO 0.14 -0.54 -0.13 1.41 0.00 0.00 0.00 175.30 176.18 3mof s MET 176 N 2.83 1.85 0.00 3.54 1.75 -1.26 -0.23 119.30 127.77 3mof s MET 176 Ca 0.33 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.33 3mof s MET 176 Cb -0.15 -1.59 0.00 0.00 2.84 0.00 0.00 34.83 35.93 3mof s MET 176 CO 0.09 -0.05 0.00 0.41 -0.65 0.00 0.00 175.02 174.82 3mof n GLY 177 N 4.12 0.61 0.33 2.11 0.00 -0.48 -4.24 105.19 107.64 3mof n GLY 177 Ca -0.20 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 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 1.25 -0.08 2.61 2.02 -1.58 -2.19 112.91 114.94 3mof h THR 178 Ca 0.00 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.54 3mof h THR 178 Cb 0.00 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3mof h THR 178 CO 0.00 0.29 0.06 0.77 0.37 0.00 0.00 175.52 177.01 3mof h SER 179 N 1.14 0.00 -0.43 4.18 4.64 -1.90 -1.95 113.55 119.22 3mof h SER 179 Ca 0.28 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.48 3mof h SER 179 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3mof h SER 179 CO -0.04 0.00 -0.21 0.58 -0.87 0.00 0.00 176.83 176.29 3mof h VAL 180 N 0.00 1.27 -0.71 0.95 2.07 -1.72 -0.86 116.25 117.26 3mof h VAL 180 Ca 0.04 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 3mof h VAL 180 Cb 0.16 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3mof h VAL 180 CO -0.00 0.46 0.22 -0.07 0.02 0.00 0.00 177.57 178.20 3mof h LEU 181 N 0.74 1.03 -0.92 2.57 3.38 -1.39 0.47 115.31 121.19 3mof h LEU 181 Ca 0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3mof h LEU 181 Cb 0.78 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3mof h LEU 181 CO 0.06 0.97 0.09 -0.33 0.09 0.00 0.00 178.44 179.32 3mof h GLU 182 N 1.04 0.88 0.00 1.13 5.08 -1.25 -2.04 114.58 119.42 3mof h GLU 182 Ca 0.23 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3mof h GLU 182 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3mof h GLU 182 CO -0.01 0.82 -0.59 0.00 -1.00 0.00 0.00 179.01 178.23 3mof h ALA 183 N 1.26 0.83 0.00 3.43 0.00 -0.83 -3.31 119.26 120.65 3mof h ALA 183 Ca 0.17 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3mof h ALA 183 Cb 0.38 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3mof h ALA 183 CO 0.01 0.74 -0.35 1.25 0.00 0.00 0.00 179.25 180.89 3mof h LEU 184 N 0.00 0.30 0.00 0.00 5.85 -0.45 -3.48 115.31 117.53 3mof h LEU 184 Ca -0.01 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 57.93 3mof h LEU 184 Cb 1.19 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3mof h LEU 184 CO 0.08 1.05 0.00 0.61 -0.34 0.00 0.00 178.44 179.84 3mof n GLY 185 N 1.10 3.39 1.81 3.75 0.00 -0.81 -1.02 105.19 113.42 3mof n GLY 185 Ca -0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 3mof n GLY 185 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mof n ASP 186 N 3.89 4.14 -4.53 1.61 8.00 -1.26 -4.70 116.55 123.70 3mof n ASP 186 Ca 0.00 -3.04 -0.28 0.00 0.71 0.00 0.00 54.79 52.18 3mof n ASP 186 Cb 0.00 -0.72 0.13 0.00 -0.02 0.00 0.00 41.12 40.52 3mof n ASP 186 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3mof s GLY 187 N -0.73 1.71 0.42 0.44 0.00 -0.19 -5.04 107.32 103.93 3mof s GLY 187 Ca 0.45 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 3mof s GLY 187 CO 0.11 -0.42 0.99 1.85 0.00 0.00 0.00 173.10 175.63 3mof s GLU 188 N -5.64 4.17 0.04 2.90 2.12 -1.26 -5.03 118.70 115.99 3mof s GLU 188 Ca 0.68 1.29 -0.08 0.00 0.36 0.00 0.00 54.97 57.22 3mof s GLU 188 Cb -0.07 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.98 3mof s GLU 188 CO 0.50 -0.10 0.15 -0.59 -0.54 0.00 0.00 175.26 174.68 3mof s PHE 189 N -1.93 0.13 -0.03 5.30 -0.71 -1.26 -4.67 117.98 114.81 3mof s PHE 189 Ca 0.60 -0.39 -0.30 0.00 -1.04 0.00 0.00 56.93 55.81 3mof s PHE 189 Cb -0.15 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 3mof s PHE 189 CO 0.19 -0.40 0.97 -1.50 -1.34 0.00 0.00 175.22 173.14 3mof s ILE 190 N -2.63 4.86 -0.26 -4.49 1.10 -0.73 -4.92 121.20 114.13 3mof s ILE 190 Ca -0.05 2.02 -0.24 0.00 -0.51 0.00 0.00 60.65 61.88 3mof s ILE 190 Cb -0.01 -4.30 -0.00 0.00 0.15 0.00 0.00 42.46 38.29 3mof s ILE 190 CO -0.04 0.13 0.81 -0.54 -2.11 0.00 0.00 174.94 173.19 3mof s LYS 191 N 1.23 4.12 -0.10 3.50 1.02 -0.36 -1.86 119.74 127.29 3mof s LYS 191 Ca 0.50 0.84 0.03 0.00 0.02 0.00 0.00 55.97 57.36 3mof s LYS 191 Cb -0.20 -3.67 0.01 0.00 -0.52 0.00 0.00 37.83 33.45 3mof s LYS 191 CO 0.25 -0.56 -0.18 0.00 -0.92 0.00 0.00 175.35 173.94 3mof s LEU 193 N 0.72 1.94 -0.01 0.00 2.96 0.10 -0.65 118.68 123.74 3mof s LEU 193 Ca -0.12 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 3mof s LEU 193 Cb -0.16 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3mof s LEU 193 CO 0.02 0.07 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.73 3mof s HIS 194 N 0.76 1.01 -0.01 5.38 5.65 0.78 -0.36 115.29 128.52 3mof s HIS 194 Ca -0.10 -0.21 -0.02 0.00 0.25 0.00 0.00 55.06 54.99 3mof s HIS 194 Cb -0.16 -0.67 -0.00 0.00 -1.18 0.00 0.00 32.58 30.57 3mof s HIS 194 CO 0.01 -0.04 0.03 0.45 -0.65 0.00 0.00 174.74 174.54 3mof s SER 195 N -0.17 0.03 0.25 9.88 0.15 -0.56 -3.52 113.70 119.75 3mof s SER 195 Ca 0.03 -0.07 0.24 0.00 0.70 0.00 0.00 55.95 56.85 3mof s SER 195 Cb -0.05 0.10 0.95 0.00 -1.71 0.00 0.00 66.02 65.30 3mof s SER 195 CO -0.00 -0.10 1.73 1.33 1.20 0.00 0.00 173.24 177.39 3mof n VAL 196 N 2.62 0.77 -1.37 4.45 0.24 -1.26 -0.85 118.33 122.93 3mof n VAL 196 Ca -0.16 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3mof n VAL 196 Cb 0.58 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 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 0.29 0.49 2.46 7.63 0.00 -1.26 -3.01 105.19 111.79 3mof n GLY 197 Ca 0.03 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 3mof n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mof n PRO 199 N 0.63 1.29 -3.32 0.00 -0.04 -1.14 -4.86 135.00 127.56 3mof n PRO 199 Ca 0.27 0.49 -0.38 0.00 -0.04 0.00 0.00 63.50 63.85 3mof n PRO 199 Cb 0.47 -2.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 3mof n PRO 199 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mof s LEU 200 N -4.04 4.47 0.43 1.53 1.43 -0.01 -3.62 118.68 118.87 3mof s LEU 200 Ca 0.79 1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 54.84 3mof s LEU 200 Cb -0.39 -2.95 -0.08 0.00 0.03 0.00 0.00 46.19 42.80 3mof s LEU 200 CO 0.43 0.24 1.10 -2.16 0.23 0.00 0.00 176.35 176.19 3mof s PRO 201 N -1.32 3.98 0.07 1.29 0.04 -1.26 -4.50 135.00 133.30 3mof s PRO 201 Ca 0.30 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.63 3mof s PRO 201 Cb -0.18 -2.47 -0.11 0.00 0.04 0.00 0.00 34.50 31.78 3mof s PRO 201 CO 0.18 -0.32 1.81 1.28 0.04 0.00 0.00 177.00 179.99 3mof n LEU 202 N -0.28 3.71 0.02 -3.56 4.77 -1.24 -4.91 117.00 115.52 3mof n LEU 202 Ca 0.06 0.99 -0.04 0.00 -0.03 0.00 0.00 56.01 56.99 3mof n LEU 202 Cb 0.49 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 3mof n LEU 202 CO 0.46 0.03 -0.25 0.11 -1.33 0.00 0.00 177.39 176.41 3mof h LYS 203 N 8.38 0.00 -6.55 3.23 1.57 -1.95 -3.47 116.57 117.78 3mof h LYS 203 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 3mof h LYS 203 Cb 1.24 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.39 3mof h LYS 203 CO 0.94 0.50 -0.75 0.15 -0.57 0.00 0.00 179.45 179.72 3mof s LYS 204 N -2.76 2.00 0.21 3.15 -0.14 -1.26 -5.10 119.74 115.84 3mof s LYS 204 Ca -0.02 -1.17 -0.31 0.00 -1.36 0.00 0.00 55.97 53.10 3mof s LYS 204 Cb 0.08 -2.19 -0.11 0.00 -1.68 0.00 0.00 37.83 33.94 3mof s LYS 204 CO 0.81 0.47 1.60 -2.14 -0.76 0.00 0.00 175.35 175.33 3mof s PRO 205 N -2.46 4.18 -0.04 -1.68 0.02 -1.26 -4.98 135.00 128.78 3mof s PRO 205 Ca 0.22 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.41 3mof s PRO 205 Cb -0.10 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 3mof s PRO 205 CO 0.13 -0.63 1.03 -1.17 -0.33 0.00 0.00 177.00 176.03 3mof s LEU 206 N 0.61 4.31 -0.27 -5.54 2.96 -1.26 -5.03 118.68 114.45 3mof s LEU 206 Ca 0.68 1.65 -0.10 0.00 -0.22 0.00 0.00 54.13 56.14 3mof s LEU 206 Cb -0.46 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.62 3mof s LEU 206 CO 0.36 -0.38 0.15 -0.69 -1.32 0.00 0.00 176.35 174.48 3mof s VAL 207 N 1.53 5.02 -1.44 1.68 1.01 -1.26 -4.46 120.40 122.48 3mof s VAL 207 Ca 0.51 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 3mof s VAL 207 Cb -0.21 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.85 3mof s VAL 207 CO 0.23 0.28 0.71 0.59 0.00 0.00 0.00 175.10 176.92 3mof n ASN 208 N 4.97 -4.93 -2.46 3.32 5.03 -1.26 -2.34 115.26 117.59 3mof n ASN 208 Ca -0.15 -0.48 -0.16 0.00 0.87 0.00 0.00 54.58 54.66 3mof n ASN 208 Cb 0.52 -3.98 -0.01 0.00 -1.02 0.00 0.00 39.78 35.29 3mof n ASN 208 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3mof n ASN 209 N -2.56 -4.81 -4.07 6.41 3.02 -1.26 -4.80 115.26 107.19 3mof n ASN 209 Ca -0.02 0.08 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 3mof n ASN 209 Cb 0.56 -4.03 -0.14 0.00 -0.61 0.00 0.00 39.78 35.56 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 0.01 3.10 -0.11 -0.99 -4.71 118.94 117.00 3mof s TRP 210 Ca 0.02 -2.61 -0.30 0.00 1.22 0.00 0.00 56.10 54.42 3mof s TRP 210 Cb -0.01 -2.70 -0.06 0.00 -1.50 0.00 0.00 33.47 29.20 3mof s TRP 210 CO 0.02 -0.92 1.49 0.00 -4.62 0.00 0.00 176.95 172.91 3mof s ALA 211 N 1.03 3.62 0.08 5.86 0.00 -1.26 -4.37 121.76 126.72 3mof s ALA 211 Ca 0.05 0.97 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 3mof s ALA 211 Cb -0.20 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.37 3mof s ALA 211 CO -0.06 -1.00 0.92 0.00 0.00 0.00 0.00 175.76 175.62 3mof s ASN 213 N -2.73 1.46 0.19 0.00 3.84 0.49 -4.79 114.94 113.40 3mof s ASN 213 Ca 0.09 -2.98 -0.12 0.00 0.21 0.00 0.00 52.86 50.05 3mof s ASN 213 Cb -0.01 -0.39 0.16 0.00 -0.55 0.00 0.00 41.25 40.46 3mof s ASN 213 CO -0.03 -0.18 1.79 -0.65 -2.79 0.00 0.00 177.10 175.24 3mof h PRO 214 N 5.73 0.51 -0.07 0.43 0.11 -1.93 -1.55 132.00 135.21 3mof h PRO 214 Ca 0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3mof h PRO 214 Cb 0.92 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 3mof h PRO 214 CO 0.36 0.34 0.05 0.93 -0.21 0.00 0.00 178.00 179.46 3mof h GLU 215 N 0.52 0.08 -0.27 1.05 3.07 -1.96 -2.43 114.58 114.64 3mof h GLU 215 Ca 0.24 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3mof h GLU 215 Cb 0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3mof h GLU 215 CO -0.17 0.05 0.00 1.28 -1.40 0.00 0.00 179.01 178.77 3mof n LEU 216 N -4.53 3.07 -4.65 1.33 4.77 -0.88 -5.00 117.00 111.11 3mof n LEU 216 Ca -0.02 -1.42 -0.47 0.00 -0.03 0.00 0.00 56.01 54.08 3mof n LEU 216 Cb 0.10 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3mof n LEU 216 CO 0.34 0.65 1.05 0.41 -1.33 0.00 0.00 177.39 178.51 3mof n THR 217 N 1.20 0.36 -3.65 -5.08 -1.04 -0.64 -4.70 114.28 100.72 3mof n THR 217 Ca 0.15 -0.09 -0.04 0.00 -2.04 0.00 0.00 64.05 62.04 3mof n THR 217 Cb 0.52 -1.33 -0.06 0.00 -1.82 0.00 0.00 70.33 67.65 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 0.57 -0.99 -0.35 -4.42 2.96 -0.03 -4.89 118.68 111.53 3mof s LEU 218 Ca 0.76 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 56.13 3mof s LEU 218 Cb -0.73 2.18 0.09 0.00 0.50 0.00 0.00 46.19 48.22 3mof s LEU 218 CO 0.44 -0.23 0.09 -0.63 -1.32 0.00 0.00 176.35 174.70 3mof s ILE 219 N 2.48 2.88 0.10 6.68 1.09 0.24 -0.84 121.20 133.84 3mof s ILE 219 Ca -0.07 -1.90 0.07 0.00 -1.10 0.00 0.00 60.65 57.65 3mof s ILE 219 Cb -0.10 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 3mof s ILE 219 CO -0.18 -0.45 -0.10 0.00 -0.10 0.00 0.00 174.94 174.10 3mof s ALA 220 N 1.11 2.94 -0.05 9.38 0.00 0.67 -0.62 121.76 135.19 3mof s ALA 220 Ca 0.04 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3mof s ALA 220 Cb -0.21 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3mof s ALA 220 CO -0.04 0.64 -0.09 -1.01 0.00 0.00 0.00 175.76 175.25 3mof s HIS 221 N -1.21 1.17 -0.57 0.00 3.76 -0.59 -0.72 115.29 117.13 3mof s HIS 221 Ca 0.21 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.77 3mof s HIS 221 Cb -0.11 -0.90 0.18 0.00 1.11 0.00 0.00 32.58 32.86 3mof s HIS 221 CO 0.13 -0.23 0.44 1.28 -0.85 0.00 0.00 174.74 175.52 3mof n LEU 222 N 3.85 1.53 0.00 0.89 4.32 0.70 -0.77 117.00 127.51 3mof n LEU 222 Ca -0.24 -4.86 0.01 0.00 -0.02 0.00 0.00 56.01 50.90 3mof n LEU 222 Cb 0.52 -0.18 0.34 0.00 -1.62 0.00 0.00 43.42 42.48 3mof n LEU 222 CO 0.25 1.82 1.01 1.55 -1.22 0.00 0.00 177.39 180.80 3mof h PRO 223 N 5.39 0.52 -0.87 3.23 0.13 -1.79 -1.18 132.00 137.42 3mof h PRO 223 Ca 0.20 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 3mof h PRO 223 Cb 0.82 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 3mof h PRO 223 CO 0.57 0.48 0.46 -0.44 -0.23 0.00 0.00 178.00 178.84 3mof h ASP 224 N 0.51 1.11 0.57 1.44 3.45 -1.94 -2.03 116.42 119.53 3mof h ASP 224 Ca 0.12 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3mof h ASP 224 Cb 0.20 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 3mof h ASP 224 CO -0.00 0.91 -0.05 0.54 -1.57 0.00 0.00 179.24 179.06 3mof n ARG 225 N -4.33 0.42 -3.90 3.56 1.74 -0.77 -4.95 116.66 108.42 3mof n ARG 225 Ca 0.09 -0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.83 3mof n ARG 225 Cb 0.11 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.24 -4.73 -4.96 5.56 3.00 -0.52 -4.89 116.66 108.88 3mof n ARG 226 Ca 0.13 0.55 -0.28 0.00 -0.01 0.00 0.00 57.85 58.24 3mof n ARG 226 Cb 0.27 -5.20 -0.15 0.00 0.00 0.00 0.00 32.46 27.37 3mof n ARG 226 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3mof s GLU 227 N -6.46 1.68 -0.09 5.56 2.02 -0.97 -1.23 118.70 119.21 3mof s GLU 227 Ca 0.38 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.55 3mof s GLU 227 Cb -0.19 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3mof s GLU 227 CO 0.85 0.45 -0.21 0.42 0.02 0.00 0.00 175.26 176.79 3mof s ILE 228 N -0.61 1.86 -0.15 -1.63 1.01 0.24 -0.22 121.20 121.70 3mof s ILE 228 Ca 0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3mof s ILE 228 Cb -0.09 -1.62 0.04 0.00 0.01 0.00 0.00 42.46 40.81 3mof s ILE 228 CO 0.00 0.52 -0.02 -0.63 0.00 0.00 0.00 174.94 174.81 3mof s ILE 229 N 0.41 0.81 -0.09 2.92 1.01 0.10 -0.72 121.20 125.65 3mof s ILE 229 Ca -0.18 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3mof s ILE 229 Cb -0.18 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.26 3mof s ILE 229 CO 0.08 0.08 -0.08 -0.55 0.00 0.00 0.00 174.94 174.46 3mof s SER 230 N 1.76 1.89 -0.04 3.58 0.15 0.52 -0.24 113.70 121.32 3mof s SER 230 Ca 0.01 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.44 3mof s SER 230 Cb -0.15 -0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 63.38 3mof s SER 230 CO -0.07 -0.06 -0.18 0.12 1.20 0.00 0.00 173.24 174.25 3mof s PHE 231 N 1.28 1.73 0.00 3.44 5.36 -0.02 -1.50 117.98 128.28 3mof s PHE 231 Ca -0.03 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.47 3mof s PHE 231 Cb -0.14 -1.15 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 3mof s PHE 231 CO -0.03 -0.14 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 3mof n GLY 232 N 3.04 1.37 3.24 13.12 0.00 -0.03 -0.85 105.19 125.07 3mof n GLY 232 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.44 2.82 0.01 1.61 0.15 -1.26 -0.38 113.70 114.22 3mof s SER 233 Ca 0.00 -0.46 0.23 0.00 0.70 0.00 0.00 55.95 56.41 3mof s SER 233 Cb 0.00 -0.73 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 3mof s SER 233 CO 0.00 0.23 1.04 0.61 1.20 0.00 0.00 173.24 176.32 3mof n GLY 234 N 2.95 -1.13 3.75 9.45 0.00 -1.26 -4.48 105.19 114.47 3mof n GLY 234 Ca -0.17 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.09 3.18 0.00 1.61 5.04 -1.26 -4.65 117.35 118.18 3mof s TYR 235 Ca 0.06 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.98 3mof s TYR 235 Cb 0.16 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.83 3mof s TYR 235 CO 0.81 -1.90 0.03 0.41 -1.34 0.00 0.00 175.55 173.56 3mof n GLY 236 N 1.74 -0.11 0.34 8.97 0.00 -1.26 -0.73 105.19 114.14 3mof n GLY 236 Ca 0.04 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.25 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 1.10 -0.02 0.00 -1.92 0.58 103.07 102.81 3mof h GLY 237 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3mof h GLY 237 CO 0.00 0.00 -1.09 3.43 0.00 0.00 0.00 176.54 178.88 3mof h ASN 238 N 0.00 0.00 0.00 0.19 2.35 -1.27 -3.42 115.58 113.42 3mof h ASN 238 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3mof h ASN 238 Cb 0.57 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3mof h ASN 238 CO -0.00 0.26 -1.02 -1.54 -1.65 0.00 0.00 177.43 173.48 3mof n SER 239 N -2.82 4.91 -4.46 5.81 3.41 -0.79 -4.82 113.62 114.86 3mof n SER 239 Ca -0.04 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.14 3mof n SER 239 Cb 0.68 0.78 -0.02 0.00 -0.26 0.00 0.00 64.21 65.38 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 -3.50 4.97 0.49 1.04 1.43 0.13 -4.87 118.68 118.37 3mof s LEU 240 Ca -0.00 -2.07 0.29 0.00 -1.03 0.00 0.00 54.13 51.31 3mof s LEU 240 Cb 0.00 -2.41 1.08 0.00 0.03 0.00 0.00 46.19 44.89 3mof s LEU 240 CO 0.02 -1.07 1.88 -0.07 0.23 0.00 0.00 176.35 177.34 3mof h LEU 241 N 10.51 0.00 -1.62 1.79 3.38 -1.87 -2.59 115.31 124.91 3mof h LEU 241 Ca 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3mof h LEU 241 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3mof h LEU 241 CO 1.13 0.10 -0.17 1.23 0.09 0.00 0.00 178.44 180.82 3mof h GLY 242 N 2.24 0.00 0.00 0.83 0.00 -1.96 -1.52 103.07 102.66 3mof h GLY 242 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mof h GLY 242 CO 0.01 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.72 3mof n LYS 243 N -3.58 0.00 -0.06 4.80 4.81 -0.97 -1.35 118.16 121.80 3mof n LYS 243 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.29 3mof n LYS 243 Cb 0.31 -0.06 -0.06 0.00 0.02 0.00 0.00 35.03 35.24 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 0.48 0.09 1.64 1.79 -1.81 -1.07 116.57 117.70 3mof h LYS 244 Ca 0.00 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3mof h LYS 244 Cb 0.00 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3mof h LYS 244 CO 0.00 0.86 -0.04 0.00 -1.08 0.00 0.00 179.45 179.19 3mof h PHE 246 N -0.29 0.00 0.00 0.00 3.57 -1.39 -1.57 116.94 117.26 3mof h PHE 246 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3mof h PHE 246 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3mof h PHE 246 CO -0.02 0.36 0.00 0.00 -2.23 0.00 0.00 178.31 176.42 3mof h ALA 247 N -0.81 1.00 0.00 2.41 0.00 0.09 0.11 119.26 122.06 3mof h ALA 247 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mof h ALA 247 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3mof h ALA 247 CO -0.04 0.00 -0.67 1.28 0.00 0.00 0.00 179.25 179.82 3mof n LEU 248 N -2.75 1.66 0.16 0.00 4.77 -1.03 -4.59 117.00 115.23 3mof n LEU 248 Ca 0.02 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 3mof n LEU 248 Cb 0.33 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 3mof n LEU 248 CO 0.26 -0.43 0.43 0.03 -1.33 0.00 0.00 177.39 176.36 3mof h ARG 249 N -0.67 -0.44 -0.03 3.23 3.08 -1.12 0.22 114.38 118.65 3mof h ARG 249 Ca 0.00 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3mof h ARG 249 Cb 0.67 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3mof h ARG 249 CO 0.00 -0.12 0.01 0.82 -1.07 0.00 0.00 179.97 179.61 3mof h ILE 250 N -0.91 1.13 -0.39 2.04 1.08 -1.24 -3.23 117.51 115.98 3mof h ILE 250 Ca -0.05 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 3mof h ILE 250 Cb 0.53 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 3mof h ILE 250 CO 0.08 0.10 0.14 0.00 -0.69 0.00 0.00 178.15 177.78 3mof h ALA 251 N 0.86 1.51 -0.12 1.87 0.00 -0.78 -1.71 119.26 120.89 3mof h ALA 251 Ca 0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3mof h ALA 251 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3mof h ALA 251 CO -0.00 0.37 -0.29 0.66 0.00 0.00 0.00 179.25 179.99 3mof h SER 252 N 0.55 0.23 -0.09 0.00 4.64 -0.57 0.23 113.55 118.55 3mof h SER 252 Ca 0.13 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3mof h SER 252 Cb 0.14 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3mof h SER 252 CO -0.01 0.52 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.19 3mof h ARG 253 N 0.21 0.28 -0.65 4.77 1.12 -1.42 -1.56 114.38 117.13 3mof h ARG 253 Ca 0.03 -0.19 0.01 0.00 -1.11 0.00 0.00 59.98 58.72 3mof h ARG 253 Cb 0.62 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.57 3mof h ARG 253 CO 0.05 0.78 0.43 -0.07 -3.11 0.00 0.00 179.97 178.04 3mof h LEU 254 N -0.18 0.73 -0.30 3.80 3.38 -1.01 -2.35 115.31 119.39 3mof h LEU 254 Ca 0.00 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3mof h LEU 254 Cb 0.78 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3mof h LEU 254 CO 0.04 0.53 -0.07 0.00 0.09 0.00 0.00 178.44 179.02 3mof h ALA 255 N 1.24 0.19 -0.72 1.53 0.00 -0.48 0.80 119.26 121.83 3mof h ALA 255 Ca 0.24 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.38 3mof h ALA 255 Cb -0.08 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 3mof h ALA 255 CO -0.06 -0.47 0.32 -0.22 0.00 0.00 0.00 179.25 178.83 3mof h LYS 256 N -0.00 0.51 -0.04 0.00 3.64 -0.96 0.68 116.57 120.39 3mof h LYS 256 Ca 0.14 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 3mof h LYS 256 Cb 0.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 3mof h LYS 256 CO -0.30 0.33 -0.61 0.93 -2.27 0.00 0.00 179.45 177.53 3mof h GLU 257 N 0.52 0.16 -0.00 1.90 5.08 -0.87 -3.31 114.58 118.06 3mof h GLU 257 Ca 0.37 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3mof h GLU 257 Cb 0.47 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3mof h GLU 257 CO -0.33 0.71 -0.46 0.39 -1.00 0.00 0.00 179.01 178.32 3mof n GLU 258 N -3.85 2.74 -0.37 2.33 1.02 0.22 -5.01 120.64 117.72 3mof n GLU 258 Ca -0.02 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 3mof n GLU 258 Cb 0.61 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.19 1.22 0.00 0.62 0.00 0.22 -5.02 105.19 103.42 3mof n GLY 259 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 0.00 -4.04 1.61 4.27 -0.36 -4.70 117.44 112.22 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 0.06 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 29.87 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 2.06 -0.09 5.67 1.43 0.52 -4.05 118.68 124.22 3mof s LEU 261 Ca 0.00 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3mof s LEU 261 Cb 0.00 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 46.11 3mof s LEU 261 CO 0.00 -0.02 -0.01 0.00 0.23 0.00 0.00 176.35 176.55 3mof s ALA 262 N -0.37 0.85 0.03 4.21 0.00 -1.26 -0.55 121.76 124.67 3mof s ALA 262 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 3mof s ALA 262 Cb -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 3mof s ALA 262 CO -0.00 -0.54 -0.03 -1.21 0.00 0.00 0.00 175.76 173.98 3mof s GLU 263 N 1.91 0.44 -1.40 0.00 0.41 -0.17 -4.65 118.70 115.24 3mof s GLU 263 Ca 0.04 -0.86 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 3mof s GLU 263 Cb -0.13 0.15 0.08 0.00 -1.78 0.00 0.00 34.13 32.45 3mof s GLU 263 CO -0.06 -0.08 2.17 1.58 -0.49 0.00 0.00 175.26 178.38 3mof n HIS 264 N 0.98 3.16 -4.46 1.61 -0.00 -1.26 -1.45 115.22 113.80 3mof n HIS 264 Ca -0.20 -2.91 -0.21 0.00 -0.00 0.00 0.00 57.72 54.40 3mof n HIS 264 Cb 0.57 -2.28 -0.16 0.00 -0.00 0.00 0.00 29.99 28.13 3mof n HIS 264 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3mof s MET 265 N 1.81 1.08 0.84 1.57 -1.94 -0.90 -4.16 119.30 117.59 3mof s MET 265 Ca 0.47 -0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 53.98 3mof s MET 265 Cb 0.13 -1.00 0.09 0.00 2.01 0.00 0.00 34.83 36.07 3mof s MET 265 CO -0.05 0.14 1.09 -0.48 -0.01 0.00 0.00 175.02 175.71 3mof s LEU 266 N 0.15 2.65 -0.06 -0.03 0.05 -0.63 -2.72 118.68 118.09 3mof s LEU 266 Ca -0.03 1.68 -0.01 0.00 0.05 0.00 0.00 54.13 55.82 3mof s LEU 266 Cb -0.09 -4.23 0.03 0.00 -2.05 0.00 0.00 46.19 39.85 3mof s LEU 266 CO 0.01 -2.36 0.00 -0.63 -0.55 0.00 0.00 176.35 172.81 3mof s ILE 267 N -2.91 0.31 0.09 1.48 1.01 -0.63 -1.91 121.20 118.65 3mof s ILE 267 Ca 0.62 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.41 3mof s ILE 267 Cb -0.18 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3mof s ILE 267 CO 0.57 0.23 -0.09 -1.48 0.00 0.00 0.00 174.94 174.17 3mof s LEU 268 N 1.67 2.43 -0.14 2.97 0.05 -0.39 -1.28 118.68 123.99 3mof s LEU 268 Ca -0.00 -0.86 -0.01 0.00 0.05 0.00 0.00 54.13 53.31 3mof s LEU 268 Cb -0.13 -0.21 -0.02 0.00 -2.05 0.00 0.00 46.19 43.79 3mof s LEU 268 CO -0.04 -0.33 -0.11 -0.83 -0.55 0.00 0.00 176.35 174.50 3mof s GLY 269 N -2.60 1.58 -0.09 -3.48 0.00 0.04 -1.09 107.32 101.69 3mof s GLY 269 Ca 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3mof s GLY 269 CO -0.02 -0.16 -0.14 -1.50 0.00 0.00 0.00 173.10 171.29 3mof s ILE 270 N 0.36 1.32 -0.13 0.90 2.07 0.92 -0.18 121.20 126.45 3mof s ILE 270 Ca -0.09 -0.56 -0.02 0.00 -1.41 0.00 0.00 60.65 58.57 3mof s ILE 270 Cb -0.15 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.20 3mof s ILE 270 CO 0.05 0.40 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.51 3mof s THR 271 N 0.87 3.52 0.65 4.00 2.01 0.31 -0.91 115.64 126.09 3mof s THR 271 Ca -0.10 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 3mof s THR 271 Cb -0.15 -2.51 0.08 0.00 0.01 0.00 0.00 72.50 69.93 3mof s THR 271 CO 0.01 0.52 0.90 0.54 -0.69 0.00 0.00 174.62 175.90 3mof s ASN 272 N 0.22 4.78 0.00 3.53 4.22 0.01 -1.13 114.94 126.57 3mof s ASN 272 Ca -0.05 -0.14 0.09 0.00 -2.14 0.00 0.00 52.86 50.62 3mof s ASN 272 Cb -0.15 -0.48 0.39 0.00 1.28 0.00 0.00 41.25 42.29 3mof s ASN 272 CO 0.04 -1.54 1.27 -2.65 -2.04 0.00 0.00 177.10 172.19 3mof n PRO 273 N -2.64 0.02 -0.56 3.55 -0.02 -1.00 -1.76 135.00 132.59 3mof n PRO 273 Ca 0.11 0.33 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3mof n PRO 273 Cb 0.60 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.93 3mof n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mof n GLU 274 N -1.48 3.48 -1.58 -0.52 -0.58 -1.26 -4.95 120.64 113.74 3mof n GLU 274 Ca 0.02 -2.75 -0.07 0.00 -0.42 0.00 0.00 57.16 53.94 3mof n GLU 274 Cb 0.10 -1.82 -0.02 0.00 -0.57 0.00 0.00 31.44 29.13 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 1.23 0.58 3.62 0.62 0.00 -0.72 -5.03 105.19 105.50 3mof n GLY 275 Ca 0.25 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 3mof n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mof s LYS 276 N -3.31 3.17 -0.03 1.61 -0.14 -1.26 -4.92 119.74 114.85 3mof s LYS 276 Ca 0.00 -0.45 0.07 0.00 -1.36 0.00 0.00 55.97 54.23 3mof s LYS 276 Cb 0.00 -2.82 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 3mof s LYS 276 CO 0.00 0.57 -0.23 0.21 -0.76 0.00 0.00 175.35 175.14 3mof s LYS 277 N -0.51 2.28 0.05 1.68 2.20 -1.26 -0.81 119.74 123.36 3mof s LYS 277 Ca 0.09 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3mof s LYS 277 Cb -0.12 -2.15 -0.02 0.00 -1.51 0.00 0.00 37.83 34.03 3mof s LYS 277 CO 0.02 0.55 -0.13 0.15 -0.36 0.00 0.00 175.35 175.58 3mof s LYS 278 N -0.57 0.80 -0.11 4.03 1.02 -0.09 -4.96 119.74 119.86 3mof s LYS 278 Ca 0.09 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 3mof s LYS 278 Cb -0.11 -0.78 -0.04 0.00 -0.52 0.00 0.00 37.83 36.39 3mof s LYS 278 CO -0.00 0.18 0.05 0.71 -0.92 0.00 0.00 175.35 175.37 3mof s TYR 279 N -1.05 3.28 0.12 3.18 1.51 -1.25 -0.06 117.35 123.08 3mof s TYR 279 Ca -0.01 0.24 0.08 0.00 -1.01 0.00 0.00 57.07 56.36 3mof s TYR 279 Cb -0.09 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3mof s TYR 279 CO 0.01 0.46 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.21 3mof s LEU 280 N -0.64 2.34 0.14 -1.29 1.43 -0.25 -0.69 118.68 119.72 3mof s LEU 280 Ca 0.11 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 3mof s LEU 280 Cb -0.12 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3mof s LEU 280 CO 0.02 0.01 -0.18 0.00 0.23 0.00 0.00 176.35 176.44 3mof s ALA 281 N -1.48 2.70 -0.07 4.21 0.00 -0.56 -1.26 121.76 125.31 3mof s ALA 281 Ca 0.09 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 3mof s ALA 281 Cb -0.08 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.46 3mof s ALA 281 CO 0.05 0.56 0.14 0.00 0.00 0.00 0.00 175.76 176.50 3mof s ALA 282 N -1.28 -0.19 -0.39 0.00 0.00 -0.80 -0.66 121.76 118.44 3mof s ALA 282 Ca 0.19 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 3mof s ALA 282 Cb -0.10 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.52 3mof s ALA 282 CO 0.11 -0.30 0.22 0.00 0.00 0.00 0.00 175.76 175.79 3mof s ALA 283 N 1.57 3.24 0.17 0.00 0.00 0.40 -1.60 121.76 125.53 3mof s ALA 283 Ca -0.05 -1.98 0.11 0.00 0.00 0.00 0.00 51.96 50.05 3mof s ALA 283 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3mof s ALA 283 CO -0.06 -1.53 -0.24 -0.06 0.00 0.00 0.00 175.76 173.87 3mof s PHE 284 N 1.45 2.26 1.06 0.00 0.08 -1.26 -2.88 117.98 118.69 3mof s PHE 284 Ca 0.02 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.57 3mof s PHE 284 Cb -0.21 -1.15 0.22 0.00 -0.57 0.00 0.00 43.02 41.31 3mof s PHE 284 CO 0.03 0.44 1.08 -2.14 -0.10 0.00 0.00 175.22 174.53 3mof s PRO 285 N -2.49 -0.08 0.15 0.24 0.02 -1.26 -4.78 135.00 126.80 3mof s PRO 285 Ca 0.18 0.51 -0.33 0.00 0.02 0.00 0.00 61.00 61.39 3mof s PRO 285 Cb -0.08 -1.68 -0.17 0.00 0.02 0.00 0.00 34.50 32.59 3mof s PRO 285 CO 0.08 -3.08 1.02 0.45 -0.33 0.00 0.00 177.00 175.15 3mof n SER 286 N -4.42 0.63 -2.35 2.53 2.88 -1.26 -1.22 113.62 110.41 3mof n SER 286 Ca 0.05 1.15 -0.20 0.00 -1.33 0.00 0.00 58.87 58.53 3mof n SER 286 Cb 0.57 -1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 62.91 3mof n SER 286 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mof n ALA 287 N 1.15 -0.64 -1.33 -1.46 0.00 -1.26 -4.75 120.51 112.22 3mof n ALA 287 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.86 3mof n ALA 287 Cb 0.22 -2.38 0.14 0.00 0.00 0.00 0.00 19.45 17.44 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 -1.17 1.08 0.10 0.00 0.00 -1.26 -4.84 105.19 99.09 3mof n GLY 289 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 3.01 0.21 -0.69 1.61 1.57 -1.88 -1.36 116.57 119.05 3mof h LYS 290 Ca 0.00 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3mof h LYS 290 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3mof h LYS 290 CO 0.00 0.25 0.22 1.15 -0.57 0.00 0.00 179.45 180.50 3mof h THR 291 N 0.12 1.25 -0.50 -0.16 2.02 -1.96 0.30 112.91 113.99 3mof h THR 291 Ca 0.05 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.29 3mof h THR 291 Cb 0.10 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3mof h THR 291 CO -0.01 0.34 0.05 0.78 0.37 0.00 0.00 175.52 177.05 3mof h ASN 292 N 1.01 0.77 -0.17 4.18 4.21 -1.91 -2.53 115.58 121.15 3mof h ASN 292 Ca 0.22 -0.17 -0.15 0.00 1.21 0.00 0.00 56.30 57.42 3mof h ASN 292 Cb 0.29 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3mof h ASN 292 CO -0.01 0.81 -0.46 0.25 -1.29 0.00 0.00 177.43 176.72 3mof h LEU 293 N 0.76 0.70 -1.95 1.61 5.85 -0.81 -2.66 115.31 118.81 3mof h LEU 293 Ca 0.16 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 3mof h LEU 293 Cb 0.40 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3mof h LEU 293 CO 0.01 1.16 -0.08 0.00 -0.34 0.00 0.00 178.44 179.19 3mof h ALA 294 N 0.56 1.70 -0.03 1.25 0.00 -0.25 -2.64 119.26 119.84 3mof h ALA 294 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3mof h ALA 294 Cb 1.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3mof h ALA 294 CO 0.10 0.11 -0.54 0.00 0.00 0.00 0.00 179.25 178.92 3mof n MET 295 N -4.20 1.59 -1.61 0.00 0.00 -0.97 -3.93 117.12 108.01 3mof n MET 295 Ca -0.03 -3.28 -0.42 0.00 0.00 0.00 0.00 57.70 53.97 3mof n MET 295 Cb 0.17 -1.57 0.00 0.00 0.00 0.00 0.00 33.22 31.82 3mof n MET 295 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 3mof n MET 296 N -1.03 1.39 -3.28 3.17 0.00 -1.00 -4.54 117.12 111.84 3mof n MET 296 Ca 0.19 0.50 -0.46 0.00 0.00 0.00 0.00 57.70 57.93 3mof n MET 296 Cb 0.72 -2.01 -0.05 0.00 0.00 0.00 0.00 33.22 31.88 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 -0.68 6.23 0.33 6.12 2.47 -1.26 -4.58 114.94 123.57 3mof s ASN 297 Ca 0.62 -1.79 -0.29 0.00 0.42 0.00 0.00 52.86 51.81 3mof s ASN 297 Cb -0.59 -2.23 -0.11 0.00 -1.45 0.00 0.00 41.25 36.88 3mof s ASN 297 CO 0.58 -0.88 1.50 -2.16 -3.72 0.00 0.00 177.10 172.42 3mof s PRO 298 N 1.68 4.16 0.21 0.43 0.05 -1.26 -4.41 135.00 135.85 3mof s PRO 298 Ca 0.05 2.51 0.10 0.00 0.05 0.00 0.00 61.00 63.72 3mof s PRO 298 Cb -0.28 -3.01 0.06 0.00 0.05 0.00 0.00 34.50 31.32 3mof s PRO 298 CO 0.03 -0.53 1.43 1.79 0.05 0.00 0.00 177.00 179.78 3mof h THR 299 N 3.20 1.46 -2.69 1.26 1.35 -1.83 -3.45 112.91 112.21 3mof h THR 299 Ca -0.49 -2.74 -0.54 0.00 -0.55 0.00 0.00 66.41 62.09 3mof h THR 299 Cb 1.23 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3mof h THR 299 CO 0.72 0.76 1.01 -0.76 -0.25 0.00 0.00 175.52 177.00 3mof s LEU 300 N -6.96 4.34 0.35 3.87 1.43 -1.26 -4.98 118.68 115.47 3mof s LEU 300 Ca 0.01 2.31 -0.28 0.00 -1.03 0.00 0.00 54.13 55.13 3mof s LEU 300 Cb 0.10 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.66 3mof s LEU 300 CO 0.78 -0.88 1.47 -2.65 0.23 0.00 0.00 176.35 175.30 3mof n PRO 301 N 6.29 2.56 -0.70 1.29 -0.02 -1.26 -2.72 135.00 140.44 3mof n PRO 301 Ca 0.16 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3mof n PRO 301 Cb 0.42 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3mof n PRO 301 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mof n GLY 302 N 0.85 0.94 3.76 -1.23 0.00 -1.26 -4.85 105.19 103.40 3mof n GLY 302 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.44 3.32 -0.01 1.61 0.52 -1.10 -2.38 118.94 117.45 3mof s TRP 303 Ca 0.00 0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.48 3mof s TRP 303 Cb 0.00 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 3mof s TRP 303 CO 0.00 0.57 -0.13 0.21 0.02 0.00 0.00 176.95 177.62 3mof s LYS 304 N -0.93 1.09 -0.07 4.98 2.20 -0.29 -4.79 119.74 121.93 3mof s LYS 304 Ca 0.14 -0.45 0.05 0.00 -0.36 0.00 0.00 55.97 55.35 3mof s LYS 304 Cb -0.12 -1.04 -0.01 0.00 -1.51 0.00 0.00 37.83 35.16 3mof s LYS 304 CO 0.03 0.26 -0.23 0.08 -0.36 0.00 0.00 175.35 175.12 3mof s VAL 305 N -0.22 2.18 0.10 4.02 1.01 -1.26 -0.53 120.40 125.70 3mof s VAL 305 Ca 0.03 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.08 3mof s VAL 305 Cb -0.06 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3mof s VAL 305 CO -0.00 0.57 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 3mof s GLU 306 N -0.07 1.14 -0.23 2.72 2.02 0.74 -4.88 118.70 120.15 3mof s GLU 306 Ca -0.06 -1.14 -0.08 0.00 0.02 0.00 0.00 54.97 53.72 3mof s GLU 306 Cb -0.15 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 3mof s GLU 306 CO 0.05 0.33 0.08 0.00 0.02 0.00 0.00 175.26 175.73 3mof n VAL 308 N 4.45 1.62 -3.54 0.00 0.31 -0.41 -0.02 118.33 120.74 3mof n VAL 308 Ca -0.16 -0.36 -0.09 0.00 -0.01 0.00 0.00 64.34 63.72 3mof n VAL 308 Cb 0.52 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 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 -5.37 -0.46 0.00 2.92 0.00 -0.96 -4.74 107.32 98.71 3mof s GLY 309 Ca -0.28 0.57 0.03 0.00 0.00 0.00 0.00 44.72 45.03 3mof s GLY 309 CO 0.65 0.18 0.48 2.09 0.00 0.00 0.00 173.10 176.50 3mof n ASP 310 N -0.35 0.99 0.00 1.64 5.75 -1.26 -1.61 116.55 121.71 3mof n ASP 310 Ca -0.11 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 3mof n ASP 310 Cb 0.63 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 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 -0.11 0.00 -4.04 -1.12 2.03 -1.25 -4.18 116.55 107.89 3mof n ASP 311 Ca 0.01 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.10 3mof n ASP 311 Cb 0.06 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.01 0.98 -0.06 5.18 1.01 -1.10 -2.13 121.20 124.07 3mof s ILE 312 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.23 3mof s ILE 312 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.61 3mof s ILE 312 CO 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 174.94 175.07 3mof s ALA 313 N 0.21 1.59 -0.17 9.38 0.00 -0.53 -4.25 121.76 127.99 3mof s ALA 313 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 3mof s ALA 313 Cb -0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3mof s ALA 313 CO 0.01 0.23 -0.05 -1.58 0.00 0.00 0.00 175.76 174.38 3mof s TRP 314 N 0.29 2.98 0.03 0.00 0.51 -0.38 -1.00 118.94 121.37 3mof s TRP 314 Ca -0.10 -0.48 0.02 0.00 -2.12 0.00 0.00 56.10 53.42 3mof s TRP 314 Cb -0.14 -1.98 -0.02 0.00 -0.81 0.00 0.00 33.47 30.52 3mof s TRP 314 CO 0.04 -0.18 -0.07 -1.64 -0.51 0.00 0.00 176.95 174.60 3mof s MET 315 N 0.63 0.48 -0.20 4.98 -1.94 0.29 -0.68 119.30 122.86 3mof s MET 315 Ca -0.03 -0.63 -0.18 0.00 -1.71 0.00 0.00 55.69 53.14 3mof s MET 315 Cb -0.15 -0.28 0.05 0.00 2.01 0.00 0.00 34.83 36.47 3mof s MET 315 CO 0.02 0.05 0.53 0.21 -0.01 0.00 0.00 175.02 175.83 3mof s LYS 316 N -1.28 0.61 0.19 2.03 2.20 -0.56 -0.35 119.74 122.58 3mof s LYS 316 Ca -0.08 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 3mof s LYS 316 Cb -0.08 0.26 -0.09 0.00 -1.51 0.00 0.00 37.83 36.41 3mof s LYS 316 CO 0.00 -0.09 1.35 -0.06 -0.36 0.00 0.00 175.35 176.20 3mof s PHE 317 N 0.47 3.21 0.71 4.03 0.08 -1.26 -0.69 117.98 124.53 3mof s PHE 317 Ca -0.01 1.12 -0.02 0.00 0.12 0.00 0.00 56.93 58.13 3mof s PHE 317 Cb -0.04 -3.66 0.15 0.00 -0.57 0.00 0.00 43.02 38.89 3mof s PHE 317 CO -0.02 -2.15 0.98 -0.40 -0.10 0.00 0.00 175.22 173.53 3mof n ASP 318 N 2.88 1.11 0.29 1.36 5.68 -0.36 -4.91 116.55 122.60 3mof n ASP 318 Ca 0.07 -1.98 0.15 0.00 -0.50 0.00 0.00 54.79 52.53 3mof n ASP 318 Cb 0.42 -0.65 0.88 0.00 -1.14 0.00 0.00 41.12 40.63 3mof n ASP 318 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mof h ALA 319 N -0.76 1.46 0.00 2.12 0.00 -1.96 0.02 119.26 120.14 3mof h ALA 319 Ca -0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mof h ALA 319 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mof h ALA 319 CO 0.33 0.04 -0.14 1.04 0.00 0.00 0.00 179.25 180.51 3mof n GLN 320 N -3.78 0.01 -0.32 0.00 1.13 -1.26 -4.92 117.38 108.23 3mof n GLN 320 Ca -0.03 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3mof n GLN 320 Cb 0.12 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 28.96 3mof n GLN 320 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mof n GLY 321 N 1.49 0.71 3.76 1.08 0.00 -0.01 -4.83 105.19 107.41 3mof n GLY 321 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.70 7.52 -0.39 1.61 0.01 -1.26 -0.10 114.94 119.63 3mof s ASN 322 Ca 0.00 1.91 -0.26 0.00 -0.71 0.00 0.00 52.86 53.80 3mof s ASN 322 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 3mof s ASN 322 CO 0.00 0.06 0.95 -0.22 -1.51 0.00 0.00 177.10 176.38 3mof s LEU 323 N -1.52 3.97 -0.15 0.60 2.96 -1.26 -1.23 118.68 122.05 3mof s LEU 323 Ca 0.45 0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 54.81 3mof s LEU 323 Cb -0.23 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 3mof s LEU 323 CO 0.29 -0.92 0.01 -0.13 -1.32 0.00 0.00 176.35 174.28 3mof s ARG 324 N 3.60 3.60 0.04 1.98 1.81 0.13 -0.48 118.95 129.64 3mof s ARG 324 Ca 0.39 -0.42 0.09 0.00 -1.72 0.00 0.00 55.73 54.06 3mof s ARG 324 Cb -0.11 -2.99 -0.03 0.00 -0.45 0.00 0.00 34.95 31.37 3mof s ARG 324 CO 0.21 0.38 -0.25 0.00 -0.68 0.00 0.00 175.30 174.95 3mof s ALA 325 N 0.02 2.17 0.13 2.13 0.00 0.46 -1.50 121.76 125.17 3mof s ALA 325 Ca 0.03 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.83 3mof s ALA 325 Cb -0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3mof s ALA 325 CO 0.02 0.51 -0.17 0.96 0.00 0.00 0.00 175.76 177.09 3mof s ILE 326 N -0.79 1.53 -0.30 0.00 -4.36 0.15 -0.18 121.20 117.25 3mof s ILE 326 Ca 0.11 -1.72 -0.16 0.00 -0.26 0.00 0.00 60.65 58.63 3mof s ILE 326 Cb -0.10 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3mof s ILE 326 CO 0.02 -0.31 0.40 0.21 0.24 0.00 0.00 174.94 175.50 3mof s ASN 327 N -2.37 6.25 0.05 4.36 2.47 -1.26 -1.25 114.94 123.18 3mof s ASN 327 Ca 0.10 0.10 0.28 0.00 0.42 0.00 0.00 52.86 53.75 3mof s ASN 327 Cb -0.06 -2.22 1.01 0.00 -1.45 0.00 0.00 41.25 38.52 3mof s ASN 327 CO 0.04 -0.28 1.80 -0.81 -3.72 0.00 0.00 177.10 174.13 3mof n PRO 328 N 5.43 0.07 -2.08 0.43 -0.04 -1.26 -4.43 135.00 133.12 3mof n PRO 328 Ca -0.08 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.15 3mof n PRO 328 Cb 0.50 -1.58 0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.03 2.71 0.00 0.54 2.02 -1.26 0.15 118.70 119.84 3mof s GLU 329 Ca 0.12 0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.34 3mof s GLU 329 Cb 0.17 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.31 3mof s GLU 329 CO 0.58 -1.01 0.50 -1.71 0.02 0.00 0.00 175.26 173.63 3mof n ASN 330 N -2.90 1.02 -2.85 -0.19 5.15 -0.23 -4.77 115.26 110.49 3mof n ASN 330 Ca 0.06 -1.01 -0.11 0.00 -0.60 0.00 0.00 54.58 52.92 3mof n ASN 330 Cb 0.58 0.13 0.01 0.00 -0.53 0.00 0.00 39.78 39.97 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 0.23 1.43 3.34 8.20 0.00 -1.17 -2.00 105.19 115.23 3mof n GLY 331 Ca 0.01 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.54 2.84 -0.97 1.61 0.08 0.46 -4.77 117.98 114.69 3mof s PHE 332 Ca 0.21 -0.77 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 3mof s PHE 332 Cb -0.03 -1.90 0.28 0.00 -0.57 0.00 0.00 43.02 40.79 3mof s PHE 332 CO 0.15 -0.32 1.16 0.34 -0.10 0.00 0.00 175.22 176.45 3mof n PHE 333 N 3.86 3.35 -3.57 0.36 7.35 -1.26 -1.26 117.46 126.29 3mof n PHE 333 Ca -0.18 -3.38 -0.35 0.00 -0.76 0.00 0.00 57.45 52.78 3mof n PHE 333 Cb 0.52 -1.17 -0.05 0.00 0.35 0.00 0.00 39.48 39.13 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 -1.15 2.35 0.07 7.13 0.00 -0.16 -4.84 107.32 110.72 3mof s GLY 334 Ca 0.32 -0.36 -0.32 0.00 0.00 0.00 0.00 44.72 44.35 3mof s GLY 334 CO 0.01 -0.13 1.80 -0.62 0.00 0.00 0.00 173.10 174.16 3mof n VAL 335 N 0.99 0.37 -0.06 1.40 0.31 -1.26 -0.43 118.33 119.65 3mof n VAL 335 Ca -0.09 -0.07 -0.08 0.00 -0.01 0.00 0.00 64.34 64.10 3mof n VAL 335 Cb 0.52 -1.95 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 3mof n VAL 335 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mof h ALA 336 N 8.28 -0.01 -2.55 3.52 0.00 -1.39 -3.44 119.26 123.67 3mof h ALA 336 Ca -0.47 -0.28 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 3mof h ALA 336 Cb 1.24 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.15 3mof h ALA 336 CO 0.93 -0.01 0.46 -2.30 0.00 0.00 0.00 179.25 178.33 3mof n PRO 337 N -4.69 1.98 0.00 0.00 -0.02 -1.26 -1.09 135.00 129.92 3mof n PRO 337 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3mof n PRO 337 Cb 0.27 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.83 2.43 3.67 -1.23 0.00 0.31 -5.01 105.19 106.18 3mof n GLY 338 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.30 4.71 0.17 2.61 2.01 -0.25 -4.70 115.64 117.88 3mof s THR 339 Ca 0.00 2.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.88 3mof s THR 339 Cb 0.00 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.22 3mof s THR 339 CO 0.00 -0.12 0.42 -0.94 -0.69 0.00 0.00 174.62 173.29 3mof s SER 340 N 1.17 -0.16 0.57 3.53 1.04 -1.26 -4.16 113.70 114.43 3mof s SER 340 Ca 0.45 -0.56 0.37 0.00 0.48 0.00 0.00 55.95 56.69 3mof s SER 340 Cb -0.16 0.51 1.47 0.00 0.10 0.00 0.00 66.02 67.94 3mof s SER 340 CO 0.10 -0.96 1.68 0.58 0.98 0.00 0.00 173.24 175.61 3mof h VAL 341 N 2.35 0.23 0.18 5.02 2.07 -1.82 0.34 116.25 124.62 3mof h VAL 341 Ca -0.31 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 66.94 3mof h VAL 341 Cb 1.25 0.28 0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3mof h VAL 341 CO 0.43 0.00 -1.24 0.50 0.02 0.00 0.00 177.57 177.28 3mof h LYS 342 N 0.00 0.38 0.00 1.57 3.64 -1.94 -3.29 116.57 116.92 3mof h LYS 342 Ca 0.58 -0.64 -0.28 0.00 -1.27 0.00 0.00 60.65 59.04 3mof h LYS 342 Cb 2.54 0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 34.55 3mof h LYS 342 CO -0.01 1.31 -2.03 0.25 -2.27 0.00 0.00 179.45 176.70 3mof n THR 343 N -3.90 1.25 -2.76 1.00 -2.24 -0.58 -4.77 114.28 102.28 3mof n THR 343 Ca -0.18 -0.78 -0.09 0.00 -2.27 0.00 0.00 64.05 60.73 3mof n THR 343 Cb 0.95 -0.59 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.79 -2.75 0.03 3.42 2.85 0.11 -4.73 115.26 111.40 3mof n ASN 344 Ca -0.22 -3.35 0.03 0.00 -0.11 0.00 0.00 54.58 50.92 3mof n ASN 344 Cb 1.02 1.79 0.40 0.00 1.24 0.00 0.00 39.78 44.22 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 3.85 0.48 -0.41 1.20 0.13 -1.61 -2.18 132.00 133.46 3mof h PRO 345 Ca -0.14 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 3mof h PRO 345 Cb 1.04 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3mof h PRO 345 CO 0.30 0.40 0.20 -0.91 -0.23 0.00 0.00 178.00 177.76 3mof h ASN 346 N 0.48 0.50 -0.24 1.44 2.35 -1.91 -2.22 115.58 115.98 3mof h ASN 346 Ca 0.12 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3mof h ASN 346 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3mof h ASN 346 CO -0.01 0.42 -0.42 0.00 -1.65 0.00 0.00 177.43 175.78 3mof h ALA 347 N 1.66 0.37 -0.78 -0.83 0.00 -1.71 -2.66 119.26 115.31 3mof h ALA 347 Ca 0.14 -0.46 0.15 0.00 0.00 0.00 0.00 54.91 54.74 3mof h ALA 347 Cb 0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 3mof h ALA 347 CO -0.02 0.48 0.33 0.82 0.00 0.00 0.00 179.25 180.87 3mof h ILE 348 N 0.42 0.66 -0.28 0.00 1.08 -1.17 -1.67 117.51 116.55 3mof h ILE 348 Ca 0.02 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3mof h ILE 348 Cb 1.01 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 3mof h ILE 348 CO 0.09 0.09 0.04 0.11 -0.69 0.00 0.00 178.15 177.79 3mof h LYS 349 N 0.48 0.46 -0.49 2.37 1.57 -1.35 -3.24 116.57 116.36 3mof h LYS 349 Ca 0.43 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 3mof h LYS 349 Cb 0.66 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3mof h LYS 349 CO -0.40 0.58 0.20 1.79 -0.57 0.00 0.00 179.45 181.04 3mof h THR 350 N 0.28 1.18 -0.20 -0.16 1.35 -1.03 -3.29 112.91 111.03 3mof h THR 350 Ca 0.08 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3mof h THR 350 Cb 0.34 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 3mof h THR 350 CO 0.01 0.22 0.00 2.30 -0.25 0.00 0.00 175.52 177.80 3mof n ILE 351 N -4.35 0.26 0.47 6.82 -5.35 -0.69 -3.96 119.36 112.57 3mof n ILE 351 Ca 0.04 -0.34 0.11 0.00 -0.27 0.00 0.00 62.75 62.29 3mof n ILE 351 Cb 0.15 0.25 0.27 0.00 -1.74 0.00 0.00 39.64 38.56 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 0.25 2.28 -3.84 6.28 6.02 -1.24 -4.68 117.38 122.44 3mof n GLN 352 Ca 0.14 -1.95 -0.12 0.00 -0.01 0.00 0.00 57.00 55.06 3mof n GLN 352 Cb 0.28 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.48 0.50 -1.43 -1.09 -2.85 -1.25 -2.44 119.74 109.71 3mof s LYS 353 Ca 0.37 -0.31 -0.06 0.00 -1.00 0.00 0.00 55.97 54.98 3mof s LYS 353 Cb 0.21 0.21 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 3mof s LYS 353 CO 0.29 -0.12 0.48 0.09 0.10 0.00 0.00 175.35 176.18 3mof n ASN 354 N 1.53 -5.05 -4.26 0.03 3.02 -0.18 -4.83 115.26 105.51 3mof n ASN 354 Ca -0.22 -0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.77 3mof n ASN 354 Cb 0.56 -4.13 -0.16 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.03 1.86 -0.17 3.41 2.01 -1.16 -4.44 115.64 114.12 3mof s THR 355 Ca 0.29 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 3mof s THR 355 Cb -0.14 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 3mof s THR 355 CO 0.36 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.16 3mof s ILE 356 N -0.47 3.93 -0.02 1.82 1.01 -0.65 -1.63 121.20 125.19 3mof s ILE 356 Ca 0.07 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3mof s ILE 356 Cb -0.10 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3mof s ILE 356 CO -0.00 0.48 -0.03 -0.36 0.00 0.00 0.00 174.94 175.03 3mof s PHE 357 N 0.52 3.02 -0.08 3.97 0.08 0.12 -0.55 117.98 125.05 3mof s PHE 357 Ca -0.03 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.09 3mof s PHE 357 Cb -0.14 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3mof s PHE 357 CO 0.03 0.42 -0.09 0.99 -0.10 0.00 0.00 175.22 176.47 3mof s THR 358 N -1.00 0.99 -1.48 0.64 2.01 -0.31 -0.69 115.64 115.80 3mof s THR 358 Ca 0.17 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.84 3mof s THR 358 Cb -0.11 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.43 3mof s THR 358 CO 0.07 0.34 0.00 0.59 -0.69 0.00 0.00 174.62 174.94 3mof n ASN 359 N 4.35 -4.70 -4.95 3.53 3.02 -0.28 -1.64 115.26 114.59 3mof n ASN 359 Ca -0.18 0.25 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 3mof n ASN 359 Cb 0.51 -3.61 0.03 0.00 -0.61 0.00 0.00 39.78 36.10 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 3.23 0.59 2.41 -7.23 -1.26 -0.89 120.40 114.63 3mof s VAL 360 Ca 0.00 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.61 3mof s VAL 360 Cb 0.00 -3.24 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 3mof s VAL 360 CO 0.00 -0.19 1.01 0.00 -0.31 0.00 0.00 175.10 175.60 3mof s ALA 361 N -2.80 3.11 -0.06 1.32 0.00 -0.60 -4.08 121.76 118.64 3mof s ALA 361 Ca 0.54 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.52 3mof s ALA 361 Cb -0.10 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 3mof s ALA 361 CO 0.40 -0.56 -0.24 -2.00 0.00 0.00 0.00 175.76 173.37 3mof s GLU 362 N -4.87 2.56 0.34 0.00 2.12 -0.02 -1.33 118.70 117.50 3mof s GLU 362 Ca 0.56 -0.88 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 3mof s GLU 362 Cb -0.11 -2.19 -0.05 0.00 0.26 0.00 0.00 34.13 32.04 3mof s GLU 362 CO 0.48 0.40 0.62 0.95 -0.54 0.00 0.00 175.26 177.17 3mof s THR 363 N -0.21 4.98 0.30 -1.70 -4.23 0.04 0.19 115.64 115.01 3mof s THR 363 Ca -0.02 0.11 0.37 0.00 -1.18 0.00 0.00 61.69 60.97 3mof s THR 363 Cb -0.13 -3.77 0.39 0.00 1.34 0.00 0.00 72.50 70.33 3mof s THR 363 CO 0.03 -0.45 2.12 0.77 -0.54 0.00 0.00 174.62 176.55 3mof h SER 364 N 1.30 0.00 -0.45 3.99 4.64 -1.01 -0.67 113.55 121.35 3mof h SER 364 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3mof h SER 364 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3mof h SER 364 CO 0.64 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 3mof n ASP 365 N -2.95 4.30 0.00 4.97 3.85 -1.26 -4.92 116.55 120.54 3mof n ASP 365 Ca -0.01 -2.59 0.00 0.00 -0.71 0.00 0.00 54.79 51.48 3mof n ASP 365 Cb 0.16 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 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 0.61 0.56 2.47 6.12 0.00 -0.26 -3.91 105.19 110.78 3mof n GLY 366 Ca 0.20 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.69 2.79 3.73 -0.02 0.00 -1.24 -1.73 105.19 106.03 3mof n GLY 367 Ca 0.00 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.74 4.13 0.01 1.61 -7.23 -1.26 -0.78 120.40 115.14 3mof s VAL 368 Ca 0.21 -1.17 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 3mof s VAL 368 Cb -0.02 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.86 3mof s VAL 368 CO 0.14 -0.06 0.13 -0.47 -0.31 0.00 0.00 175.10 174.53 3mof s TYR 369 N -1.65 0.07 0.12 2.82 5.04 -0.44 -4.80 117.35 118.51 3mof s TYR 369 Ca 0.29 -0.20 -0.25 0.00 -2.44 0.00 0.00 57.07 54.47 3mof s TYR 369 Cb -0.10 -0.06 0.07 0.00 0.35 0.00 0.00 41.96 42.22 3mof s TYR 369 CO 0.21 -0.31 0.75 1.67 -1.34 0.00 0.00 175.55 176.53 3mof s TRP 370 N -1.65 -0.38 0.18 4.97 -2.14 -1.26 -1.56 118.94 117.10 3mof s TRP 370 Ca -0.13 0.15 -0.33 0.00 2.66 0.00 0.00 56.10 58.45 3mof s TRP 370 Cb -0.06 0.58 -0.14 0.00 -3.10 0.00 0.00 33.47 30.74 3mof s TRP 370 CO 0.00 -0.79 1.41 0.39 -2.66 0.00 0.00 176.95 175.30 3mof n GLU 371 N -0.36 1.77 -0.99 3.25 4.71 -1.26 -1.89 120.64 125.88 3mof n GLU 371 Ca -0.11 0.64 0.00 0.00 -0.01 0.00 0.00 57.16 57.67 3mof n GLU 371 Cb 0.63 -2.30 0.00 0.00 -1.01 0.00 0.00 31.44 28.75 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 2.61 0.40 0.28 0.62 0.00 -1.26 -0.53 105.19 107.31 3mof n GLY 372 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 0.70 -5.94 -0.61 2.10 -1.54 -3.39 117.51 108.83 3mof h ILE 373 Ca 0.00 -0.01 -0.41 0.00 1.08 0.00 0.00 64.86 65.52 3mof h ILE 373 Cb 0.24 1.01 0.10 0.00 -1.09 0.00 0.00 36.82 37.08 3mof h ILE 373 CO 0.00 0.00 -0.72 -0.67 -1.08 0.00 0.00 178.15 175.68 3mof n ASP 374 N -4.09 -5.10 -3.61 2.19 4.64 -1.26 -4.63 116.55 104.69 3mof n ASP 374 Ca -0.03 -0.62 -0.13 0.00 -1.38 0.00 0.00 54.79 52.63 3mof n ASP 374 Cb 0.09 -4.73 -0.12 0.00 -1.04 0.00 0.00 41.12 35.32 3mof n ASP 374 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 3mof s GLU 375 N -6.23 0.20 0.62 -0.67 2.12 -1.26 -4.95 118.70 108.53 3mof s GLU 375 Ca 0.49 0.69 -0.17 0.00 0.36 0.00 0.00 54.97 56.34 3mof s GLU 375 Cb -0.22 -0.19 -0.02 0.00 0.26 0.00 0.00 34.13 33.96 3mof s GLU 375 CO 0.76 -0.37 1.18 -2.14 -0.54 0.00 0.00 175.26 174.15 3mof s PRO 376 N 2.45 2.84 0.14 4.30 0.02 -1.26 -5.06 135.00 138.43 3mof s PRO 376 Ca 0.03 1.69 0.04 0.00 0.02 0.00 0.00 61.00 62.78 3mof s PRO 376 Cb -0.13 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 3mof s PRO 376 CO -0.10 -1.28 0.14 -0.51 -0.33 0.00 0.00 177.00 174.92 3mof s LEU 377 N -4.39 3.87 0.47 -5.54 1.43 -1.26 -5.10 118.68 108.17 3mof s LEU 377 Ca 0.74 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 3mof s LEU 377 Cb -0.27 -2.50 -0.07 0.00 0.03 0.00 0.00 46.19 43.38 3mof s LEU 377 CO 0.36 0.10 1.35 0.00 0.23 0.00 0.00 176.35 178.39 3mof s ALA 378 N -1.64 3.09 0.18 4.21 0.00 -1.26 -4.93 121.76 121.41 3mof s ALA 378 Ca 0.31 1.31 -0.32 0.00 0.00 0.00 0.00 51.96 53.26 3mof s ALA 378 Cb -0.11 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.32 3mof s ALA 378 CO 0.24 -1.10 1.16 -2.30 0.00 0.00 0.00 175.76 173.76 3mof n PRO 379 N -0.40 1.22 0.00 0.00 -0.02 -1.26 -1.66 135.00 132.89 3mof n PRO 379 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3mof n PRO 379 Cb 0.44 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.97 3.28 3.71 -1.23 0.00 -1.26 -5.04 105.19 106.62 3mof n GLY 380 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.68 3.90 0.38 1.61 1.01 -0.66 -5.01 120.40 118.94 3mof s VAL 381 Ca 0.00 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.42 3mof s VAL 381 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3mof s VAL 381 CO 0.00 0.10 0.10 0.42 0.00 0.00 0.00 175.10 175.73 3mof s THR 382 N 1.09 2.51 -0.05 3.92 -4.23 -1.26 -4.92 115.64 112.68 3mof s THR 382 Ca 0.60 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 3mof s THR 382 Cb -0.31 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3mof s THR 382 CO 0.29 -0.10 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.50 3mof s ILE 383 N -2.55 1.29 -0.24 2.99 1.01 -1.26 -0.33 121.20 122.11 3mof s ILE 383 Ca 0.38 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 3mof s ILE 383 Cb 0.02 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3mof s ILE 383 CO 0.21 0.38 0.11 -0.89 0.00 0.00 0.00 174.94 174.75 3mof s THR 384 N 0.32 4.81 1.10 2.92 2.01 0.13 -1.06 115.64 125.86 3mof s THR 384 Ca -0.09 -0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 3mof s THR 384 Cb -0.13 -3.24 0.24 0.00 0.01 0.00 0.00 72.50 69.38 3mof s THR 384 CO 0.03 0.35 1.07 -0.94 -0.69 0.00 0.00 174.62 174.44 3mof s SER 385 N 1.28 1.71 0.12 3.53 1.04 0.76 -0.84 113.70 121.30 3mof s SER 385 Ca 0.06 1.12 0.17 0.00 0.48 0.00 0.00 55.95 57.78 3mof s SER 385 Cb -0.14 -1.73 0.74 0.00 0.10 0.00 0.00 66.02 64.98 3mof s SER 385 CO 0.05 -3.70 1.53 -2.67 0.98 0.00 0.00 173.24 169.44 3mof n TRP 386 N -4.54 0.35 1.15 5.02 4.27 -0.23 -0.86 117.44 122.60 3mof n TRP 386 Ca 0.06 0.14 0.10 0.00 -3.89 0.00 0.00 57.50 53.91 3mof n TRP 386 Cb 0.57 -0.73 0.33 0.00 -1.36 0.00 0.00 31.31 30.13 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 -1.82 1.75 -3.14 -2.67 5.02 -1.26 -4.71 118.16 111.33 3mof n LYS 387 Ca 0.02 -1.13 -0.17 0.00 -2.02 0.00 0.00 58.31 55.01 3mof n LYS 387 Cb 0.17 -1.37 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.37 -5.12 -4.33 4.39 5.15 -0.04 -5.03 115.26 110.65 3mof n ASN 388 Ca 0.15 -0.33 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 3mof n ASN 388 Cb 0.32 -3.81 -0.12 0.00 -0.53 0.00 0.00 39.78 35.65 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 -5.77 1.25 0.31 1.20 1.02 -1.26 -4.91 119.74 111.59 3mof s LYS 389 Ca 0.36 -1.34 -0.29 0.00 0.02 0.00 0.00 55.97 54.72 3mof s LYS 389 Cb -0.16 -1.40 -0.11 0.00 -0.52 0.00 0.00 37.83 35.64 3mof s LYS 389 CO 0.44 0.30 1.56 -1.21 -0.92 0.00 0.00 175.35 175.52 3mof s GLU 390 N -2.49 4.13 -0.00 1.68 2.02 -1.26 -0.17 118.70 122.60 3mof s GLU 390 Ca 0.13 2.56 0.01 0.00 0.02 0.00 0.00 54.97 57.69 3mof s GLU 390 Cb -0.07 -3.01 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 3mof s GLU 390 CO 0.06 -0.59 -0.03 -0.46 0.02 0.00 0.00 175.26 174.26 3mof s TRP 391 N -0.30 0.29 0.14 1.61 -0.00 -0.22 -4.80 118.94 115.66 3mof s TRP 391 Ca 0.60 -0.05 0.11 0.00 -0.00 0.00 0.00 56.10 56.76 3mof s TRP 391 Cb -0.47 -0.20 -0.04 0.00 -0.00 0.00 0.00 33.47 32.76 3mof s TRP 391 CO 0.52 -0.01 -0.26 1.03 -0.00 0.00 0.00 176.95 178.23 3mof s ARG 392 N -0.01 1.39 0.00 5.86 0.52 -1.26 -4.09 118.95 121.36 3mof s ARG 392 Ca 0.01 -1.36 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 3mof s ARG 392 Cb -0.02 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.62 3mof s ARG 392 CO -0.00 0.43 0.79 -2.30 0.02 0.00 0.00 175.30 174.23 3mof n PRO 393 N 0.82 0.00 -2.49 3.54 -0.02 -1.26 -2.71 135.00 132.88 3mof n PRO 393 Ca -0.17 0.31 -0.25 0.00 -2.02 0.00 0.00 63.50 61.36 3mof n PRO 393 Cb 0.54 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3mof n PRO 393 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3mof n GLN 394 N -1.29 3.20 -4.29 -0.52 -0.06 -1.26 -5.06 117.38 108.11 3mof n GLN 394 Ca 0.00 -4.38 -0.30 0.00 -2.00 0.00 0.00 57.00 50.32 3mof n GLN 394 Cb 0.06 -2.15 -0.03 0.00 -4.06 0.00 0.00 30.24 24.06 3mof n GLN 394 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3mof s ASP 395 N -3.50 4.41 0.11 1.69 1.11 -1.10 -5.06 116.67 114.34 3mof s ASP 395 Ca 0.46 -1.47 -0.18 0.00 0.18 0.00 0.00 52.55 51.54 3mof s ASP 395 Cb 0.41 0.58 -0.05 0.00 1.07 0.00 0.00 42.92 44.93 3mof s ASP 395 CO -0.16 -1.05 1.69 -0.08 1.18 0.00 0.00 175.17 176.74 3mof h GLU 396 N 0.96 0.40 -5.99 8.23 4.57 -1.97 -3.47 114.58 117.32 3mof h GLU 396 Ca -0.40 -0.06 -0.60 0.00 -1.18 0.00 0.00 59.36 57.13 3mof h GLU 396 Cb 1.32 -0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 29.71 3mof h GLU 396 CO 0.64 0.38 -0.65 -1.83 -1.18 0.00 0.00 179.01 176.38 3mof s GLU 397 N -5.72 1.96 0.70 1.92 -1.05 -1.26 -5.12 118.70 110.12 3mof s GLU 397 Ca -0.13 -1.83 -0.15 0.00 -0.15 0.00 0.00 54.97 52.71 3mof s GLU 397 Cb 0.09 -1.83 0.02 0.00 -0.44 0.00 0.00 34.13 31.97 3mof s GLU 397 CO 0.72 0.14 1.15 -1.25 0.95 0.00 0.00 175.26 176.98 3mof s PRO 398 N -3.67 2.46 0.23 -4.83 0.04 -1.26 -4.96 135.00 123.02 3mof s PRO 398 Ca 0.34 1.57 0.13 0.00 0.04 0.00 0.00 61.00 63.07 3mof s PRO 398 Cb 0.01 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3mof s PRO 398 CO 0.18 -1.55 1.38 0.00 0.04 0.00 0.00 177.00 177.06 3mof s ALA 400 N -2.89 2.25 0.41 0.00 0.00 -1.26 -1.07 121.76 119.20 3mof s ALA 400 Ca 0.03 -1.38 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 3mof s ALA 400 Cb 0.08 -0.38 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 3mof s ALA 400 CO 0.77 0.51 1.47 -1.58 0.00 0.00 0.00 175.76 176.92 3mof s HIS 401 N -1.00 2.50 0.52 0.00 2.46 -0.07 -4.85 115.29 114.84 3mof s HIS 401 Ca 0.12 1.20 0.22 0.00 0.47 0.00 0.00 55.06 57.07 3mof s HIS 401 Cb -0.10 -4.00 1.33 0.00 -0.13 0.00 0.00 32.58 29.68 3mof s HIS 401 CO 0.05 -3.03 2.02 -1.35 -2.47 0.00 0.00 174.74 169.96 3mof h PRO 402 N 2.67 0.05 -0.56 2.88 0.11 -1.96 -1.16 132.00 134.02 3mof h PRO 402 Ca -0.51 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3mof h PRO 402 Cb 1.25 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 3mof h PRO 402 CO 0.63 0.03 0.13 -1.71 -0.21 0.00 0.00 178.00 176.86 3mof n ASN 403 N -4.42 4.59 -4.74 -2.05 5.15 -1.26 -4.75 115.26 107.77 3mof n ASN 403 Ca 0.07 -3.17 -0.37 0.00 -0.60 0.00 0.00 54.58 50.51 3mof n ASN 403 Cb 0.48 -0.68 0.05 0.00 -0.53 0.00 0.00 39.78 39.10 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 -1.34 4.95 0.08 1.20 1.04 -0.44 -4.90 113.70 114.29 3mof s SER 404 Ca 0.51 2.52 0.03 0.00 0.48 0.00 0.00 55.95 59.49 3mof s SER 404 Cb 0.41 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3mof s SER 404 CO 0.12 -1.77 -0.10 -0.13 0.98 0.00 0.00 173.24 172.34 3mof s ARG 405 N -3.32 0.78 0.15 4.02 1.81 -0.65 -1.01 118.95 120.73 3mof s ARG 405 Ca 0.79 -1.06 0.06 0.00 -1.72 0.00 0.00 55.73 53.80 3mof s ARG 405 Cb -0.34 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 33.62 3mof s ARG 405 CO 0.37 0.08 0.07 -0.59 -0.68 0.00 0.00 175.30 174.55 3mof s PHE 406 N -2.13 3.02 -0.22 -0.53 -0.12 0.43 -1.16 117.98 117.27 3mof s PHE 406 Ca 0.02 -0.06 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 3mof s PHE 406 Cb -0.05 -1.47 0.06 0.00 -0.63 0.00 0.00 43.02 40.93 3mof s PHE 406 CO 0.00 0.51 0.02 0.00 -0.05 0.00 0.00 175.22 175.71 3mof s THR 408 N 1.72 0.60 0.21 0.00 -4.23 -0.39 -1.64 115.64 111.90 3mof s THR 408 Ca -0.01 -0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 59.70 3mof s THR 408 Cb -0.18 -0.54 -0.10 0.00 1.34 0.00 0.00 72.50 73.03 3mof s THR 408 CO -0.10 0.05 1.51 -2.84 -0.54 0.00 0.00 174.62 172.70 3mof s PRO 409 N -0.50 4.23 0.29 3.99 0.02 -1.26 -0.41 135.00 141.36 3mof s PRO 409 Ca 0.00 2.34 0.06 0.00 0.02 0.00 0.00 61.00 63.43 3mof s PRO 409 Cb -0.04 -3.13 0.43 0.00 0.02 0.00 0.00 34.50 31.78 3mof s PRO 409 CO -0.00 -0.52 1.69 0.00 -0.33 0.00 0.00 177.00 177.83 3mof h ALA 410 N 5.91 1.08 0.00 -1.55 0.00 -1.70 -2.51 119.26 120.49 3mof h ALA 410 Ca -0.44 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3mof h ALA 410 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3mof h ALA 410 CO 0.85 0.60 0.02 0.66 0.00 0.00 0.00 179.25 181.38 3mof h SER 411 N 0.20 0.00 0.86 0.00 4.64 -1.92 -2.20 113.55 115.13 3mof h SER 411 Ca 0.02 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.13 3mof h SER 411 Cb 0.84 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 3mof h SER 411 CO 0.07 0.00 -1.23 1.56 -0.87 0.00 0.00 176.83 176.36 3mof h GLN 412 N 0.00 0.00 -6.38 4.77 4.20 -1.83 -3.47 115.11 112.39 3mof h GLN 412 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 3mof h GLN 412 Cb 0.04 0.00 0.05 0.00 0.30 0.00 0.00 27.48 27.87 3mof h GLN 412 CO 0.00 0.59 0.79 0.00 -0.67 0.00 0.00 178.83 179.54 3mof h PRO 414 N 6.40 0.00 -0.17 0.00 0.13 -1.91 -2.21 132.00 134.25 3mof h PRO 414 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3mof h PRO 414 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 3mof h PRO 414 CO 0.88 0.00 -0.13 0.44 -0.23 0.00 0.00 178.00 178.96 3mof n ILE 415 N -2.55 2.26 -1.74 -3.56 -5.35 -1.26 -5.02 119.36 102.13 3mof n ILE 415 Ca 0.01 -2.53 -0.42 0.00 -0.27 0.00 0.00 62.75 59.53 3mof n ILE 415 Cb 0.21 -0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 37.83 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 1.54 -2.49 7.28 0.13 -0.83 -0.83 119.36 123.09 3mof n ILE 416 Ca 0.23 -0.39 -0.39 0.00 -1.10 0.00 0.00 62.75 61.11 3mof n ILE 416 Cb 0.83 -1.82 -0.04 0.00 -0.84 0.00 0.00 39.64 37.77 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 0.10 7.02 0.63 9.51 2.15 0.97 -4.72 116.67 132.33 3mof s ASP 417 Ca 0.59 2.18 0.41 0.00 0.43 0.00 0.00 52.55 56.16 3mof s ASP 417 Cb -0.52 -2.61 2.13 0.00 -0.30 0.00 0.00 42.92 41.61 3mof s ASP 417 CO 0.57 -0.31 2.27 1.55 -0.17 0.00 0.00 175.17 179.07 3mof h PRO 418 N 3.22 0.00 -0.49 4.34 0.13 -1.90 -2.30 132.00 135.00 3mof h PRO 418 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.65 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.42 3mof n ALA 419 N -2.11 3.64 0.31 -0.56 0.00 -1.26 -4.59 120.51 115.95 3mof n ALA 419 Ca -0.02 -2.03 0.16 0.00 0.00 0.00 0.00 53.44 51.55 3mof n ALA 419 Cb 0.13 -1.01 0.72 0.00 0.00 0.00 0.00 19.45 19.28 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 3.42 0.00 -0.03 0.00 5.08 -1.74 -2.25 115.95 120.42 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 1.84 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.00 3mof h TRP 420 CO 0.93 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 178.48 3mof n GLU 421 N -2.73 2.25 -2.04 0.12 1.02 -1.26 -4.63 120.64 113.36 3mof n GLU 421 Ca 0.00 -2.06 -0.42 0.00 -0.02 0.00 0.00 57.16 54.66 3mof n GLU 421 Cb 0.21 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3mof n GLU 421 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mof s SER 422 N -1.86 6.69 0.60 1.62 0.15 -0.85 -4.79 113.70 115.26 3mof s SER 422 Ca 0.17 2.51 0.37 0.00 0.70 0.00 0.00 55.95 59.70 3mof s SER 422 Cb 0.14 -2.59 1.87 0.00 -1.71 0.00 0.00 66.02 63.73 3mof s SER 422 CO 0.03 -0.74 2.18 1.55 1.20 0.00 0.00 173.24 177.46 3mof h PRO 423 N 6.58 0.00 0.00 5.44 0.13 -1.95 -2.52 132.00 139.67 3mof h PRO 423 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.88 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.60 3mof h GLU 424 N 0.00 0.00 -0.13 0.86 4.39 -1.96 -3.36 114.58 114.39 3mof h GLU 424 Ca -0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3mof h GLU 424 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3mof h GLU 424 CO 0.00 0.00 -0.03 0.41 -1.16 0.00 0.00 179.01 178.24 3mof n GLY 425 N 0.83 -1.49 3.50 -3.84 0.00 -0.95 -4.75 105.19 98.49 3mof n GLY 425 Ca 0.03 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.34 3.09 -0.22 1.61 -7.23 0.75 -4.76 120.40 112.30 3mof s VAL 426 Ca 0.00 -1.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 3mof s VAL 426 Cb 0.00 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3mof s VAL 426 CO 0.00 0.38 1.14 -2.16 -0.31 0.00 0.00 175.10 174.14 3mof s PRO 427 N -1.37 4.22 -0.10 4.82 0.04 -1.26 -0.41 135.00 140.94 3mof s PRO 427 Ca 0.15 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 3mof s PRO 427 Cb -0.11 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 3mof s PRO 427 CO 0.06 -0.70 0.60 0.42 0.04 0.00 0.00 177.00 177.41 3mof s ILE 428 N 3.40 5.11 -0.22 0.56 -1.09 0.37 -3.95 121.20 125.38 3mof s ILE 428 Ca 0.49 1.20 0.11 0.00 -2.23 0.00 0.00 60.65 60.22 3mof s ILE 428 Cb -0.17 -3.93 -0.14 0.00 -1.58 0.00 0.00 42.46 36.63 3mof s ILE 428 CO 0.11 0.27 0.32 -0.62 -1.23 0.00 0.00 174.94 173.79 3mof n GLU 429 N 3.88 1.73 -3.66 2.79 1.02 0.14 -4.51 120.64 122.02 3mof n GLU 429 Ca -0.04 -0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.94 3mof n GLU 429 Cb 0.51 -1.14 -0.05 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.69 -0.23 -0.04 0.62 0.00 -1.24 -2.07 107.32 101.67 3mof s GLY 430 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3mof s GLY 430 CO 0.44 -0.28 -0.05 -0.42 0.00 0.00 0.00 173.10 172.78 3mof s ILE 431 N -3.50 0.57 -0.11 0.90 1.01 0.12 -1.49 121.20 118.70 3mof s ILE 431 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.52 3mof s ILE 431 Cb 0.02 -0.57 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 3mof s ILE 431 CO -0.10 0.22 -0.20 -0.63 0.00 0.00 0.00 174.94 174.23 3mof s ILE 432 N 0.77 2.38 0.22 2.92 1.01 0.16 -0.50 121.20 128.16 3mof s ILE 432 Ca -0.11 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.72 3mof s ILE 432 Cb -0.13 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3mof s ILE 432 CO 0.00 0.55 0.06 -0.36 0.00 0.00 0.00 174.94 175.19 3mof s PHE 433 N 0.38 2.90 0.00 3.97 0.08 0.72 -0.46 117.98 125.57 3mof s PHE 433 Ca -0.16 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.75 3mof s PHE 433 Cb -0.17 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 3mof s PHE 433 CO 0.07 0.55 0.00 0.41 -0.10 0.00 0.00 175.22 176.15 3mof n GLY 434 N -0.64 1.13 0.00 4.36 0.00 -1.14 -0.64 105.19 108.26 3mof n GLY 434 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.41 1.81 3.51 -0.02 0.00 -1.24 -4.03 105.19 104.81 3mof n GLY 435 Ca 0.00 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.03 3.30 -0.24 1.61 0.52 -1.26 -4.49 118.95 117.36 3mof s ARG 436 Ca 0.00 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 3mof s ARG 436 Cb 0.00 -4.00 0.06 0.00 0.52 0.00 0.00 34.95 31.54 3mof s ARG 436 CO 0.00 -1.18 -0.05 1.03 0.02 0.00 0.00 175.30 175.12 3mof s ARG 437 N 3.15 1.63 0.42 3.54 1.81 -1.26 -1.39 118.95 126.85 3mof s ARG 437 Ca 0.25 -1.03 0.28 0.00 -1.72 0.00 0.00 55.73 53.51 3mof s ARG 437 Cb -0.14 -2.61 0.94 0.00 -0.45 0.00 0.00 34.95 32.69 3mof s ARG 437 CO 0.19 -0.61 1.80 -1.00 -0.68 0.00 0.00 175.30 175.00 3mof h PRO 438 N 7.94 0.00 -5.38 3.54 0.13 -1.95 -3.16 132.00 133.12 3mof h PRO 438 Ca -0.17 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.50 3mof h PRO 438 Cb 1.07 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.95 3mof h PRO 438 CO 0.42 0.00 -0.80 0.00 -0.23 0.00 0.00 178.00 177.39 3mof s ALA 439 N -3.40 1.21 0.00 -0.56 0.00 -1.26 -0.18 121.76 117.57 3mof s ALA 439 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3mof s ALA 439 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3mof s ALA 439 CO 0.56 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.96 3mof n GLY 440 N 1.84 2.58 3.57 0.00 0.00 -1.26 -4.96 105.19 106.96 3mof n GLY 440 Ca -0.18 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.71 5.06 0.97 1.61 1.01 -1.26 -4.72 120.40 122.35 3mof s VAL 441 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 3mof s VAL 441 Cb 0.00 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 33.16 3mof s VAL 441 CO 0.00 0.29 1.10 -2.16 0.00 0.00 0.00 175.10 174.33 3mof s PRO 442 N 1.58 0.65 0.23 2.72 0.04 -1.26 -4.81 135.00 134.15 3mof s PRO 442 Ca 0.07 0.54 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 3mof s PRO 442 Cb -0.15 -1.76 0.37 0.00 0.04 0.00 0.00 34.50 33.00 3mof s PRO 442 CO 0.08 -2.59 1.76 1.25 0.04 0.00 0.00 177.00 177.54 3mof h LEU 443 N -1.79 0.37 -7.08 -3.56 5.85 -1.74 -3.28 115.31 104.07 3mof h LEU 443 Ca -0.53 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 3mof h LEU 443 Cb 1.32 0.03 -0.21 0.00 0.37 0.00 0.00 40.66 42.17 3mof h LEU 443 CO 0.58 0.19 0.07 0.54 -0.34 0.00 0.00 178.44 179.48 3mof s VAL 444 N -6.05 0.00 0.16 1.05 0.11 -1.26 -0.82 120.40 113.60 3mof s VAL 444 Ca -0.13 -0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.76 3mof s VAL 444 Cb 0.19 -0.91 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3mof s VAL 444 CO 0.76 -0.02 0.38 -0.72 -3.33 0.00 0.00 175.10 172.17 3mof s TYR 445 N -0.31 0.12 -0.05 1.54 1.13 -0.23 -4.62 117.35 114.93 3mof s TYR 445 Ca -0.05 -0.48 0.05 0.00 -1.41 0.00 0.00 57.07 55.18 3mof s TYR 445 Cb -0.03 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.95 3mof s TYR 445 CO 0.04 -0.77 -0.18 -2.00 -2.51 0.00 0.00 175.55 170.12 3mof s GLU 446 N -3.91 2.44 0.59 -3.49 2.12 0.15 -1.06 118.70 115.55 3mof s GLU 446 Ca 0.12 -0.78 -0.19 0.00 0.36 0.00 0.00 54.97 54.48 3mof s GLU 446 Cb 0.02 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 3mof s GLU 446 CO -0.03 0.56 1.20 0.00 -0.54 0.00 0.00 175.26 176.45 3mof s ALA 447 N -0.59 2.56 -0.44 6.30 0.00 -0.24 -0.49 121.76 128.85 3mof s ALA 447 Ca 0.09 0.98 0.23 0.00 0.00 0.00 0.00 51.96 53.26 3mof s ALA 447 Cb -0.11 -3.44 0.34 0.00 0.00 0.00 0.00 23.12 19.91 3mof s ALA 447 CO 0.01 -1.13 1.54 -0.07 0.00 0.00 0.00 175.76 176.11 3mof h LEU 448 N 0.90 0.00 -7.51 0.00 3.38 -1.89 -3.45 115.31 106.74 3mof h LEU 448 Ca -0.50 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 57.71 3mof h LEU 448 Cb 1.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 3mof h LEU 448 CO 0.55 0.00 0.65 -0.94 0.09 0.00 0.00 178.44 178.79 3mof s SER 449 N -5.88 -0.11 0.16 -0.43 1.04 -1.26 -4.98 113.70 102.23 3mof s SER 449 Ca 0.06 -0.31 -0.15 0.00 0.48 0.00 0.00 55.95 56.03 3mof s SER 449 Cb 0.07 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.57 3mof s SER 449 CO 0.68 -0.64 1.80 -0.25 0.98 0.00 0.00 173.24 175.82 3mof h TRP 450 N 2.00 0.48 -0.67 5.02 2.91 -1.94 -0.26 115.95 123.49 3mof h TRP 450 Ca -0.27 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.69 3mof h TRP 450 Cb 1.22 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 3mof h TRP 450 CO 0.45 0.28 0.13 1.96 -1.03 0.00 0.00 178.44 180.23 3mof h GLN 451 N 0.51 1.09 -0.47 2.65 4.20 -1.96 -0.01 115.11 121.11 3mof h GLN 451 Ca 0.17 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3mof h GLN 451 Cb -0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3mof h GLN 451 CO -0.07 0.99 0.23 1.25 -0.67 0.00 0.00 178.83 180.56 3mof h HIS 452 N 1.02 0.69 -0.83 2.96 2.76 -1.90 -1.68 115.15 118.16 3mof h HIS 452 Ca 0.21 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3mof h HIS 452 Cb 0.41 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 3mof h HIS 452 CO 0.03 0.55 0.54 0.78 -1.30 0.00 0.00 177.93 178.54 3mof h GLY 453 N 0.62 1.17 1.08 5.26 0.00 -0.42 0.26 103.07 111.04 3mof h GLY 453 Ca 0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.99 3mof h GLY 453 CO -0.02 0.33 -0.08 -2.08 0.00 0.00 0.00 176.54 174.69 3mof h VAL 454 N 1.00 1.27 -0.96 4.60 2.07 -0.84 -1.20 116.25 122.19 3mof h VAL 454 Ca 0.33 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3mof h VAL 454 Cb 0.07 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3mof h VAL 454 CO -0.10 0.44 0.62 0.15 0.02 0.00 0.00 177.57 178.69 3mof h PHE 455 N 0.89 1.16 -0.50 1.57 3.57 -0.33 -1.35 116.94 121.95 3mof h PHE 455 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3mof h PHE 455 Cb 0.65 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3mof h PHE 455 CO 0.05 0.66 0.18 0.28 -2.23 0.00 0.00 178.31 177.25 3mof h VAL 456 N 1.19 1.22 -0.70 1.41 2.07 -0.49 0.24 116.25 121.18 3mof h VAL 456 Ca 0.38 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3mof h VAL 456 Cb 0.02 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3mof h VAL 456 CO -0.13 0.26 0.46 1.23 0.02 0.00 0.00 177.57 179.41 3mof h GLY 457 N 0.67 1.00 2.00 2.17 0.00 -0.92 -2.66 103.07 105.33 3mof h GLY 457 Ca 0.16 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 3mof h GLY 457 CO -0.01 0.34 -0.31 0.00 0.00 0.00 0.00 176.54 176.56 3mof h ALA 458 N 1.27 1.31 -0.01 3.60 0.00 -0.20 -0.42 119.26 124.80 3mof h ALA 458 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mof h ALA 458 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mof h ALA 458 CO -0.07 0.39 -0.25 0.00 0.00 0.00 0.00 179.25 179.32 3mof n ALA 459 N -2.40 3.06 -1.64 0.00 0.00 0.74 -4.50 120.51 115.76 3mof n ALA 459 Ca -0.02 -0.42 -0.48 0.00 0.00 0.00 0.00 53.44 52.53 3mof n ALA 459 Cb 0.38 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.56 1.81 -4.31 0.00 2.81 -1.13 -4.90 117.12 110.84 3mof n MET 460 Ca 0.13 0.65 -0.17 0.00 -1.81 0.00 0.00 57.70 56.50 3mof n MET 460 Cb 0.35 -2.37 -0.10 0.00 -0.71 0.00 0.00 33.22 30.39 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 0.69 1.25 -0.29 0.03 0.52 -1.26 -1.02 118.95 118.87 3mof s ARG 461 Ca 0.80 -1.56 -0.24 0.00 -0.52 0.00 0.00 55.73 54.21 3mof s ARG 461 Cb -0.77 -0.90 0.14 0.00 0.52 0.00 0.00 34.95 33.95 3mof s ARG 461 CO 0.41 0.11 1.12 0.45 0.02 0.00 0.00 175.30 177.41 3mof s SER 462 N -3.27 -0.37 0.19 0.23 0.15 -0.32 -4.39 113.70 105.92 3mof s SER 462 Ca 0.21 0.68 -0.31 0.00 0.70 0.00 0.00 55.95 57.23 3mof s SER 462 Cb 0.01 0.77 -0.16 0.00 -1.71 0.00 0.00 66.02 64.93 3mof s SER 462 CO 0.05 -0.12 0.98 -0.62 1.20 0.00 0.00 173.24 174.74 3mof n GLU 463 N 2.31 0.86 -1.75 5.44 1.02 -0.48 -1.16 120.64 126.87 3mof n GLU 463 Ca -0.13 0.30 -0.40 0.00 -0.02 0.00 0.00 57.16 56.92 3mof n GLU 463 Cb 0.56 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 30.34 3mof n GLU 463 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mof n ALA 464 N 0.87 1.84 -4.35 0.62 0.00 -0.73 -4.81 120.51 113.95 3mof n ALA 464 Ca 0.15 0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 3mof n ALA 464 Cb 0.25 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 3mof n ALA 464 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mof n THR 465 N -0.48 0.00 0.49 0.00 -2.24 -1.26 -4.72 114.28 106.07 3mof n THR 465 Ca 0.07 -1.55 0.09 0.00 -2.27 0.00 0.00 64.05 60.39 3mof n THR 465 Cb 0.42 0.40 0.25 0.00 -2.10 0.00 0.00 70.33 69.30 3mof n THR 465 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mof n ALA 466 N -1.88 2.43 0.27 6.98 0.00 -1.26 -4.31 120.51 122.75 3mof n ALA 466 Ca -0.12 -0.85 0.14 0.00 0.00 0.00 0.00 53.44 52.61 3mof n ALA 466 Cb 0.41 -0.97 0.75 0.00 0.00 0.00 0.00 19.45 19.64 3mof n ALA 466 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mof h GLY 467 N 4.85 0.00 0.00 0.00 0.00 -1.91 -3.42 103.07 102.59 3mof h GLY 467 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mof h GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3mof n ALA 468 N -2.22 0.00 1.44 3.60 0.00 -1.26 -2.69 120.51 119.39 3mof n ALA 468 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3mof n ALA 468 Cb 0.25 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.21 3mof n ALA 468 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3mof n GLU 469 N 0.00 1.39 -2.84 0.00 0.00 -1.22 -4.82 120.64 113.15 3mof n GLU 469 Ca 0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 57.16 55.97 3mof n GLU 469 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 3mof n GLU 469 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3mof s HIS 470 N -2.15 3.61 0.41 -1.84 3.76 -1.26 -5.05 115.29 112.76 3mof s HIS 470 Ca 0.34 1.51 0.08 0.00 -0.15 0.00 0.00 55.06 56.84 3mof s HIS 470 Cb 0.21 -3.00 -0.01 0.00 1.11 0.00 0.00 32.58 30.88 3mof s HIS 470 CO 0.39 0.00 0.42 0.15 -0.85 0.00 0.00 174.74 174.85 3mof s LYS 471 N 1.05 2.65 2.33 1.40 -0.14 -1.26 -4.55 119.74 121.21 3mof s LYS 471 Ca 0.46 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.65 3mof s LYS 471 Cb -0.19 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 3mof s LYS 471 CO 0.23 -0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.06 3mof n GLY 472 N -1.61 -0.58 0.30 -3.33 0.00 -1.26 -4.43 105.19 94.28 3mof n GLY 472 Ca 0.04 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 45.01 3mof n GLY 472 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mof n LYS 473 N -0.07 1.09 -1.86 1.61 2.85 -1.26 -4.46 118.16 116.06 3mof n LYS 473 Ca 0.00 -2.46 -0.39 0.00 -1.05 0.00 0.00 58.31 54.40 3mof n LYS 473 Cb 0.00 -1.31 0.02 0.00 -0.65 0.00 0.00 35.03 33.09 3mof n LYS 473 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3mof s VAL 474 N -2.39 2.21 -0.23 0.58 0.11 -1.26 -4.24 120.40 115.17 3mof s VAL 474 Ca 0.29 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 59.22 3mof s VAL 474 Cb 0.26 -3.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.02 3mof s VAL 474 CO -0.00 0.02 1.09 -0.63 -3.33 0.00 0.00 175.10 172.25 3mof s ILE 475 N -1.25 4.57 0.23 7.04 1.01 -1.26 -1.77 121.20 129.77 3mof s ILE 475 Ca 0.63 1.88 0.09 0.00 0.00 0.00 0.00 60.65 63.25 3mof s ILE 475 Cb -0.41 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 3mof s ILE 475 CO 0.52 -0.22 -0.16 -0.04 0.00 0.00 0.00 174.94 175.04 3mof s MET 476 N 3.35 1.44 0.22 2.79 -1.94 -0.31 -4.85 119.30 119.99 3mof s MET 476 Ca 0.46 -1.64 -0.30 0.00 -1.71 0.00 0.00 55.69 52.51 3mof s MET 476 Cb -0.16 -1.34 -0.09 0.00 2.01 0.00 0.00 34.83 35.25 3mof s MET 476 CO 0.09 0.24 1.35 -1.01 -0.01 0.00 0.00 175.02 175.68 3mof s HIS 477 N -2.77 3.18 -0.42 -0.03 3.76 -1.26 -1.18 115.29 116.57 3mof s HIS 477 Ca 0.24 1.17 0.07 0.00 -0.15 0.00 0.00 55.06 56.40 3mof s HIS 477 Cb -0.02 -3.67 0.24 0.00 1.11 0.00 0.00 32.58 30.24 3mof s HIS 477 CO 0.09 -2.10 0.61 -3.47 -0.85 0.00 0.00 174.74 169.02 3mof n ASP 478 N 2.45 -0.72 -4.71 1.40 -0.08 -0.19 -4.88 116.55 109.82 3mof n ASP 478 Ca 0.06 -2.83 -0.43 0.00 -1.51 0.00 0.00 54.79 50.08 3mof n ASP 478 Cb 0.42 0.04 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 3mof n ASP 478 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3mof n PRO 479 N 1.59 2.74 -1.19 -0.67 -0.04 -1.25 -1.68 135.00 134.49 3mof n PRO 479 Ca 0.18 0.99 -0.06 0.00 -0.04 0.00 0.00 63.50 64.57 3mof n PRO 479 Cb 0.55 -2.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 3mof n PRO 479 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3mof n PHE 480 N 4.49 0.00 -1.48 0.54 3.01 -0.18 -0.81 117.46 123.04 3mof n PHE 480 Ca 0.17 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.46 3mof n PHE 480 Cb 0.35 -2.25 -0.07 0.00 -0.01 0.00 0.00 39.48 37.50 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 1.12 -0.25 -0.13 4.37 0.00 -0.68 -4.62 120.51 120.32 3mof n ALA 481 Ca -0.06 0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.70 3mof n ALA 481 Cb 0.50 -1.81 0.15 0.00 0.00 0.00 0.00 19.45 18.29 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 2.68 -0.32 0.00 2.81 0.01 -4.71 117.12 115.40 3mof n MET 482 Ca -0.16 -2.00 0.15 0.00 -1.81 0.00 0.00 57.70 53.88 3mof n MET 482 Cb 0.58 -1.27 0.34 0.00 -0.71 0.00 0.00 33.22 32.16 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 2.11 0.45 -0.01 0.03 2.43 -1.83 0.52 114.38 118.08 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 0.72 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3mof h ARG 483 CO 0.00 0.30 -0.05 -2.30 -1.51 0.00 0.00 179.97 176.41 3mof n PRO 484 N -4.99 1.07 0.00 0.20 -0.02 -1.26 -4.36 135.00 125.64 3mof n PRO 484 Ca 0.24 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3mof n PRO 484 Cb 0.70 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.63 0.00 -1.69 6.00 3.72 0.15 -5.04 117.46 119.96 3mof n PHE 485 Ca 0.18 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.16 3mof n PHE 485 Cb 0.25 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.13 2.61 1.42 1.38 3.72 -1.03 -3.79 117.46 121.64 3mof n PHE 486 Ca 0.00 -0.06 0.15 0.00 -0.05 0.00 0.00 57.45 57.49 3mof n PHE 486 Cb 0.08 -2.70 0.73 0.00 -0.94 0.00 0.00 39.48 36.66 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 4.10 -1.23 3.85 1.37 0.00 -1.23 -4.92 105.19 107.13 3mof n GLY 487 Ca 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.56 0.09 -0.26 1.61 1.13 -1.26 -4.74 117.35 111.36 3mof s TYR 488 Ca 0.28 -0.62 -0.38 0.00 -1.41 0.00 0.00 57.07 54.94 3mof s TYR 488 Cb 0.20 0.77 -0.14 0.00 -1.10 0.00 0.00 41.96 41.69 3mof s TYR 488 CO 0.47 -1.23 1.85 -1.71 -2.51 0.00 0.00 175.55 172.42 3mof n ASN 489 N -1.31 2.53 -0.27 -0.18 2.85 -0.69 -4.70 115.26 113.49 3mof n ASN 489 Ca -0.05 0.95 0.04 0.00 -0.11 0.00 0.00 54.58 55.41 3mof n ASN 489 Cb 0.60 -1.20 0.27 0.00 1.24 0.00 0.00 39.78 40.69 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 8.39 0.97 -0.65 1.20 3.57 -1.89 -1.70 116.94 126.83 3mof h PHE 490 Ca -0.43 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.14 3mof h PHE 490 Cb 1.31 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 3mof h PHE 490 CO 0.82 0.52 0.37 0.78 -2.23 0.00 0.00 178.31 178.57 3mof h GLY 491 N 0.96 0.95 1.27 2.40 0.00 -1.90 -0.43 103.07 106.33 3mof h GLY 491 Ca 0.36 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 3mof h GLY 491 CO -0.13 0.18 -0.01 0.50 0.00 0.00 0.00 176.54 177.08 3mof h LYS 492 N 0.70 0.88 -0.59 4.80 1.79 -1.55 -1.95 116.57 120.64 3mof h LYS 492 Ca 0.29 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3mof h LYS 492 Cb 0.15 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3mof h LYS 492 CO -0.16 0.88 0.38 -0.92 -1.08 0.00 0.00 179.45 178.55 3mof h TYR 493 N 0.81 0.75 -0.43 -1.35 5.03 -0.88 0.38 116.97 121.29 3mof h TYR 493 Ca 0.15 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.53 3mof h TYR 493 Cb 0.49 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 38.47 3mof h TYR 493 CO 0.03 0.49 0.13 -0.07 -1.32 0.00 0.00 178.16 177.42 3mof h LEU 494 N 0.80 0.11 -0.86 2.82 3.38 -0.87 -0.71 115.31 119.98 3mof h LEU 494 Ca 0.22 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3mof h LEU 494 Cb -0.07 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3mof h LEU 494 CO -0.04 0.10 0.54 0.00 0.09 0.00 0.00 178.44 179.13 3mof h ALA 495 N 1.29 1.09 -0.25 1.53 0.00 -0.99 0.42 119.26 122.36 3mof h ALA 495 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mof h ALA 495 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3mof h ALA 495 CO -0.22 0.53 0.16 1.25 0.00 0.00 0.00 179.25 180.97 3mof h HIS 496 N 1.18 0.32 -0.56 0.00 -0.00 -0.55 -0.11 115.15 115.42 3mof h HIS 496 Ca 0.31 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 3mof h HIS 496 Cb -0.09 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.19 3mof h HIS 496 CO -0.01 0.21 0.28 -1.49 -0.00 0.00 0.00 177.93 176.92 3mof h TRP 497 N 0.33 0.80 -0.72 5.26 4.06 -0.57 -2.57 115.95 122.54 3mof h TRP 497 Ca 0.09 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3mof h TRP 497 Cb -0.03 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 27.85 3mof h TRP 497 CO -0.06 0.61 0.42 -0.07 -3.56 0.00 0.00 178.44 175.78 3mof h LEU 498 N 0.75 0.86 -2.10 -4.49 3.38 -0.56 -2.56 115.31 110.60 3mof h LEU 498 Ca 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3mof h LEU 498 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3mof h LEU 498 CO -0.03 0.67 -0.08 0.77 0.09 0.00 0.00 178.44 179.87 3mof h SER 499 N 0.99 0.00 -0.92 -0.43 4.64 -0.60 -2.57 113.55 114.65 3mof h SER 499 Ca 0.26 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.77 3mof h SER 499 Cb -0.02 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.00 3mof h SER 499 CO -0.05 0.08 0.60 0.24 -0.87 0.00 0.00 176.83 176.83 3mof h MET 500 N 0.00 0.52 0.00 4.77 2.86 -1.38 -0.08 114.93 121.61 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 0.26 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3mof h MET 500 CO 0.01 0.34 0.00 0.00 1.06 0.00 0.00 176.91 178.32 3mof n ALA 501 N -2.46 1.47 1.04 6.32 0.00 -0.97 -2.99 120.51 122.92 3mof n ALA 501 Ca 0.20 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.88 3mof n ALA 501 Cb 0.63 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.29 0.00 -2.81 0.00 8.25 -0.04 -4.99 115.22 113.33 3mof n HIS 502 Ca 0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 3mof n HIS 502 Cb 0.17 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.28 3mof n HIS 502 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3mof s ARG 503 N -2.56 2.94 0.02 -0.41 1.70 -1.16 -5.00 118.95 114.49 3mof s ARG 503 Ca 0.18 -0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.69 3mof s ARG 503 Cb 0.18 -2.49 -0.05 0.00 -0.57 0.00 0.00 34.95 32.01 3mof s ARG 503 CO 0.60 -0.43 1.29 -1.25 -1.08 0.00 0.00 175.30 174.43 3mof s PRO 504 N -4.67 4.35 -0.47 3.89 0.05 -1.26 -2.94 135.00 133.94 3mof s PRO 504 Ca 0.51 1.85 0.00 0.00 0.05 0.00 0.00 61.00 63.41 3mof s PRO 504 Cb -0.10 -3.45 0.00 0.00 0.05 0.00 0.00 34.50 31.00 3mof s PRO 504 CO 0.39 -0.43 0.00 0.00 0.05 0.00 0.00 177.00 177.02 3mof n ALA 505 N 4.68 -0.07 -1.65 8.56 0.00 -1.26 -4.68 120.51 126.09 3mof n ALA 505 Ca 0.11 0.07 -0.49 0.00 0.00 0.00 0.00 53.44 53.13 3mof n ALA 505 Cb 0.45 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 3mof n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mof n ALA 506 N 1.08 0.40 -3.33 0.00 0.00 -1.15 -4.35 120.51 113.15 3mof n ALA 506 Ca -0.04 0.45 -0.47 0.00 0.00 0.00 0.00 53.44 53.38 3mof n ALA 506 Cb 0.45 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 3mof n ALA 506 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mof s LYS 507 N 1.32 3.54 0.13 0.00 1.02 0.86 -5.03 119.74 121.58 3mof s LYS 507 Ca 0.84 -2.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 3mof s LYS 507 Cb -0.80 -4.41 -0.07 0.00 -0.52 0.00 0.00 37.83 32.03 3mof s LYS 507 CO 0.44 -1.29 1.14 -0.51 -0.92 0.00 0.00 175.35 174.21 3mof s LEU 508 N 0.27 4.43 0.71 3.17 1.43 -1.26 -4.46 118.68 122.97 3mof s LEU 508 Ca 0.17 2.05 -0.14 0.00 -1.03 0.00 0.00 54.13 55.18 3mof s LEU 508 Cb -0.12 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.54 3mof s LEU 508 CO -0.08 -0.33 1.15 -2.16 0.23 0.00 0.00 176.35 175.16 3mof s PRO 509 N 0.24 2.39 0.42 1.29 0.04 -1.26 -5.01 135.00 133.11 3mof s PRO 509 Ca 0.53 1.52 -0.25 0.00 0.04 0.00 0.00 61.00 62.85 3mof s PRO 509 Cb -0.29 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3mof s PRO 509 CO 0.33 -1.59 1.22 0.21 0.04 0.00 0.00 177.00 177.20 3mof s LYS 510 N -4.12 3.94 -0.14 4.56 2.20 -0.88 -4.84 119.74 120.46 3mof s LYS 510 Ca 0.69 1.94 0.01 0.00 -0.36 0.00 0.00 55.97 58.26 3mof s LYS 510 Cb -0.24 -2.64 -0.00 0.00 -1.51 0.00 0.00 37.83 33.44 3mof s LYS 510 CO 0.45 -0.45 -0.17 0.42 -0.36 0.00 0.00 175.35 175.24 3mof s ILE 511 N -1.38 2.62 0.33 5.43 1.01 -1.26 -0.70 121.20 127.26 3mof s ILE 511 Ca 0.59 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 60.53 3mof s ILE 511 Cb -0.33 -2.08 -0.06 0.00 0.01 0.00 0.00 42.46 40.00 3mof s ILE 511 CO 0.41 0.53 -0.08 -0.36 0.00 0.00 0.00 174.94 175.44 3mof s PHE 512 N 0.58 2.42 -0.05 3.97 0.40 0.34 -1.08 117.98 124.57 3mof s PHE 512 Ca -0.10 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 3mof s PHE 512 Cb -0.16 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.03 3mof s PHE 512 CO 0.03 0.58 -0.10 -1.58 0.70 0.00 0.00 175.22 174.85 3mof s HIS 513 N -2.57 1.19 0.23 0.36 2.46 -0.22 -0.20 115.29 116.54 3mof s HIS 513 Ca 0.33 -0.38 0.11 0.00 0.47 0.00 0.00 55.06 55.58 3mof s HIS 513 Cb 0.01 -0.89 -0.05 0.00 -0.13 0.00 0.00 32.58 31.53 3mof s HIS 513 CO 0.17 -0.20 -0.20 0.14 -2.47 0.00 0.00 174.74 172.17 3mof s VAL 514 N 0.54 2.27 -0.24 0.89 -7.23 0.19 -1.07 120.40 115.75 3mof s VAL 514 Ca -0.10 -2.21 -0.04 0.00 -1.81 0.00 0.00 61.98 57.82 3mof s VAL 514 Cb -0.13 -2.16 0.08 0.00 0.56 0.00 0.00 36.38 34.73 3mof s VAL 514 CO 0.02 -0.33 0.10 0.21 -0.31 0.00 0.00 175.10 174.80 3mof s ASN 515 N -3.12 3.15 0.00 4.85 2.47 0.00 -3.71 114.94 118.59 3mof s ASN 515 Ca 0.24 -1.06 0.29 0.00 0.42 0.00 0.00 52.86 52.75 3mof s ASN 515 Cb -0.05 -0.41 1.32 0.00 -1.45 0.00 0.00 41.25 40.66 3mof s ASN 515 CO 0.11 -0.39 1.93 0.79 -3.72 0.00 0.00 177.10 175.82 3mof n TRP 516 N 5.18 0.00 -0.64 0.43 5.03 -1.26 -4.32 117.44 121.87 3mof n TRP 516 Ca -0.06 0.00 0.06 0.00 3.03 0.00 0.00 57.50 60.53 3mof n TRP 516 Cb 0.45 -0.24 0.08 0.00 -1.03 0.00 0.00 31.31 30.57 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 -1.13 0.00 -2.30 -5.99 3.72 -1.26 -4.67 117.46 105.83 3mof n PHE 517 Ca 0.14 -0.79 -0.41 0.00 -0.05 0.00 0.00 57.45 56.34 3mof n PHE 517 Cb 0.27 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.10 4.50 0.13 -1.08 3.52 -1.19 -4.00 118.95 118.73 3mof s ARG 518 Ca 0.19 2.00 0.10 0.00 -0.13 0.00 0.00 55.73 57.89 3mof s ARG 518 Cb 0.16 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3mof s ARG 518 CO 0.02 -0.00 -0.24 0.15 -0.81 0.00 0.00 175.30 174.42 3mof s LYS 519 N -1.45 1.31 0.06 5.12 1.02 0.75 -0.93 119.74 125.62 3mof s LYS 519 Ca 0.48 -1.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 3mof s LYS 519 Cb -0.36 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 3mof s LYS 519 CO 0.46 0.39 0.08 -0.40 -0.92 0.00 0.00 175.35 174.95 3mof n ASP 520 N 0.87 0.01 0.00 2.83 3.85 0.20 -4.75 116.55 119.57 3mof n ASP 520 Ca -0.18 -1.03 0.10 0.00 -0.71 0.00 0.00 54.79 52.97 3mof n ASP 520 Cb 0.54 -0.06 0.51 0.00 -1.35 0.00 0.00 41.12 40.75 3mof n ASP 520 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3mof n LYS 521 N -1.16 0.33 0.00 0.11 5.02 -1.26 -2.13 118.16 119.07 3mof n LYS 521 Ca 0.01 0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.49 3mof n LYS 521 Cb 0.03 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 3mof n LYS 521 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mof n ASN 522 N -1.24 1.47 0.00 4.39 3.02 -1.26 -4.96 115.26 116.68 3mof n ASN 522 Ca 0.10 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3mof n ASN 522 Cb 0.14 0.73 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 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 1.41 0.70 3.76 7.41 0.00 -0.90 -5.06 105.19 112.51 3mof n GLY 523 Ca 0.06 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.51 4.33 0.25 1.61 2.20 -1.26 -4.82 119.74 121.54 3mof s LYS 524 Ca 0.00 0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 56.05 3mof s LYS 524 Cb 0.00 -3.35 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 3mof s LYS 524 CO 0.00 0.35 1.61 1.19 -0.36 0.00 0.00 175.35 178.13 3mof n PHE 525 N 2.79 2.69 0.38 4.03 0.99 -1.26 -0.62 117.46 126.46 3mof n PHE 525 Ca -0.06 0.22 0.12 0.00 -0.00 0.00 0.00 57.45 57.73 3mof n PHE 525 Cb 0.51 -2.60 0.25 0.00 -1.00 0.00 0.00 39.48 36.64 3mof n PHE 525 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3mof h LEU 526 N 5.35 0.00 -8.11 4.37 3.38 -1.37 -3.45 115.31 115.48 3mof h LEU 526 Ca -0.45 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 56.93 3mof h LEU 526 Cb 1.23 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.64 3mof h LEU 526 CO 0.84 0.01 -0.84 0.86 0.09 0.00 0.00 178.44 179.40 3mof s TRP 527 N -3.18 1.84 0.41 1.13 -0.11 -1.26 -4.59 118.94 113.18 3mof s TRP 527 Ca 0.08 -0.71 0.09 0.00 1.22 0.00 0.00 56.10 56.78 3mof s TRP 527 Cb 0.08 -1.29 0.85 0.00 -1.50 0.00 0.00 33.47 31.61 3mof s TRP 527 CO 0.65 -0.33 1.98 -1.00 -4.62 0.00 0.00 176.95 173.64 3mof h PRO 528 N 6.87 0.32 0.00 5.86 0.13 -1.91 -3.48 132.00 139.79 3mof h PRO 528 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3mof h PRO 528 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3mof h PRO 528 CO 0.47 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 3mof n GLY 529 N -1.13 -0.39 7.00 1.56 0.00 -1.26 -4.93 105.19 106.05 3mof n GLY 529 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.10 1.61 3.72 -1.26 -0.91 117.46 120.72 3mof n PHE 530 Ca 0.00 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.56 3mof n PHE 530 Cb 0.00 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.22 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 -0.31 103.07 104.28 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 0.83 0.00 0.00 0.00 176.54 177.37 3mof h GLU 532 N 0.00 0.00 0.00 4.80 4.39 -1.33 -2.50 114.58 119.94 3mof h GLU 532 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3mof h GLU 532 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3mof h GLU 532 CO -0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 3mof n ASN 533 N -2.77 0.60 0.22 1.42 3.02 -0.13 -1.08 115.26 116.54 3mof n ASN 533 Ca 0.01 0.75 0.16 0.00 -0.03 0.00 0.00 54.58 55.48 3mof n ASN 533 Cb 0.26 -0.84 0.83 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.00 0.60 6.41 4.64 -1.66 -1.47 113.55 122.07 3mof h SER 534 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 3mof h SER 534 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3mof h SER 534 CO 0.00 0.00 -0.56 0.03 -0.87 0.00 0.00 176.83 175.43 3mof h ARG 535 N 0.00 0.00 0.10 4.77 3.08 -1.37 -0.23 114.38 120.73 3mof h ARG 535 Ca 0.07 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.88 3mof h ARG 535 Cb 0.38 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.46 3mof h ARG 535 CO -0.00 0.56 -0.99 0.28 -1.07 0.00 0.00 179.97 178.75 3mof h VAL 536 N 0.00 1.37 -0.24 2.04 2.07 -1.48 -2.97 116.25 117.04 3mof h VAL 536 Ca -0.01 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.09 3mof h VAL 536 Cb 1.02 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 3mof h VAL 536 CO 0.07 0.71 0.00 -0.07 0.02 0.00 0.00 177.57 178.30 3mof h LEU 537 N 0.03 0.32 -0.62 2.57 3.38 -1.09 -1.74 115.31 118.16 3mof h LEU 537 Ca -0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3mof h LEU 537 Cb 1.71 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 3mof h LEU 537 CO 0.19 0.38 0.35 -0.08 0.09 0.00 0.00 178.44 179.37 3mof h GLU 538 N 0.35 0.86 -0.67 1.13 4.81 -1.01 0.48 114.58 120.52 3mof h GLU 538 Ca 0.08 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3mof h GLU 538 Cb 0.23 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3mof h GLU 538 CO 0.01 0.64 0.29 2.35 -0.73 0.00 0.00 179.01 181.56 3mof h TRP 539 N 0.84 1.00 -0.53 0.92 7.01 -1.22 -2.11 115.95 121.87 3mof h TRP 539 Ca 0.22 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 3mof h TRP 539 Cb 0.03 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 3mof h TRP 539 CO -0.01 0.77 0.16 0.52 -2.79 0.00 0.00 178.44 177.08 3mof h MET 540 N 0.94 0.82 -0.09 2.65 2.86 -0.99 -1.60 114.93 119.52 3mof h MET 540 Ca 0.22 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3mof h MET 540 Cb 0.18 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3mof h MET 540 CO -0.02 0.76 -0.12 0.35 1.06 0.00 0.00 176.91 178.94 3mof h PHE 541 N 0.73 -0.31 -0.54 -0.22 3.04 -0.62 -0.77 116.94 118.24 3mof h PHE 541 Ca 0.17 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.07 3mof h PHE 541 Cb 0.29 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 3mof h PHE 541 CO 0.02 -0.19 0.08 0.78 -2.02 0.00 0.00 178.31 176.98 3mof h GLY 542 N -0.17 0.93 1.04 2.40 0.00 -1.18 -2.06 103.07 104.03 3mof h GLY 542 Ca 0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3mof h GLY 542 CO -0.19 0.54 0.24 3.21 0.00 0.00 0.00 176.54 180.34 3mof h ARG 543 N 0.82 1.10 -0.95 4.80 2.47 -0.82 0.15 114.38 121.96 3mof h ARG 543 Ca 0.17 -0.23 0.06 0.00 -1.26 0.00 0.00 59.98 58.73 3mof h ARG 543 Cb 0.38 -0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 28.47 3mof h ARG 543 CO 0.01 0.94 0.60 0.82 0.56 0.00 0.00 179.97 182.90 3mof h ILE 544 N 1.05 1.07 0.00 2.04 2.04 -0.92 -1.21 117.51 121.58 3mof h ILE 544 Ca 0.23 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3mof h ILE 544 Cb 0.28 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3mof h ILE 544 CO -0.01 0.20 0.00 -0.62 0.00 0.00 0.00 178.15 177.72 3mof n GLU 545 N -4.55 0.13 -0.19 2.37 1.02 -0.79 -4.90 120.64 113.73 3mof n GLU 545 Ca 0.14 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3mof n GLU 545 Cb 0.18 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3mof n GLU 545 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mof n GLY 546 N 0.18 0.89 3.68 0.62 0.00 -0.45 -5.06 105.19 105.03 3mof n GLY 546 Ca 0.03 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3mof n GLY 546 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mof n GLU 547 N -2.19 2.02 -1.66 1.61 4.07 0.43 -4.88 120.64 120.04 3mof n GLU 547 Ca 0.00 0.71 -0.40 0.00 -0.06 0.00 0.00 57.16 57.41 3mof n GLU 547 Cb 0.00 -2.31 -0.02 0.00 -0.06 0.00 0.00 31.44 29.06 3mof n GLU 547 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3mof n ASP 548 N 1.45 7.47 -0.12 4.31 2.03 -1.26 -4.54 116.55 125.89 3mof n ASP 548 Ca 0.08 -2.82 0.07 0.00 0.52 0.00 0.00 54.79 52.65 3mof n ASP 548 Cb 0.34 -1.51 0.11 0.00 -0.72 0.00 0.00 41.12 39.33 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 3.51 2.36 -4.32 1.67 3.41 -1.26 -5.02 113.62 113.97 3mof n SER 549 Ca 0.67 -2.76 -0.28 0.00 -0.26 0.00 0.00 58.87 56.24 3mof n SER 549 Cb 0.27 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.31 2.07 0.05 7.33 0.00 -1.26 -2.02 121.76 125.63 3mof s ALA 550 Ca 0.24 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 51.06 3mof s ALA 550 Cb 0.20 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3mof s ALA 550 CO 0.03 0.48 -0.26 -1.59 0.00 0.00 0.00 175.76 174.42 3mof s LYS 551 N -1.39 1.70 0.11 0.00 -2.85 0.65 -4.75 119.74 113.21 3mof s LYS 551 Ca 0.10 -1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 53.66 3mof s LYS 551 Cb -0.10 -1.90 -0.06 0.00 -2.06 0.00 0.00 37.83 33.71 3mof s LYS 551 CO 0.03 0.49 1.11 -1.17 0.10 0.00 0.00 175.35 175.91 3mof s LEU 552 N -1.31 4.43 0.33 2.77 2.96 -1.26 -0.77 118.68 125.84 3mof s LEU 552 Ca 0.11 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 56.05 3mof s LEU 552 Cb -0.10 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3mof s LEU 552 CO 0.02 -0.31 0.11 0.42 -1.32 0.00 0.00 176.35 175.28 3mof s THR 553 N 0.39 0.68 0.58 3.68 -4.23 -0.59 -4.92 115.64 111.24 3mof s THR 553 Ca 0.53 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.32 3mof s THR 553 Cb -0.28 -2.56 0.35 0.00 1.34 0.00 0.00 72.50 71.35 3mof s THR 553 CO 0.32 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 175.90 3mof h PRO 554 N 2.08 0.00 -0.00 3.99 0.11 -1.97 -2.59 132.00 133.62 3mof h PRO 554 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.60 0.00 -0.73 0.44 -0.21 0.00 0.00 178.00 178.10 3mof n ILE 555 N -3.90 0.00 -0.31 4.15 -5.35 -1.26 -4.79 119.36 107.89 3mof n ILE 555 Ca 0.00 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3mof n ILE 555 Cb 0.24 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.48 0.82 3.79 3.28 0.00 -0.98 -4.86 105.19 108.72 3mof n GLY 556 Ca 0.06 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.14 3.87 0.38 1.61 1.51 0.36 -1.54 117.35 121.40 3mof s TYR 557 Ca 0.00 1.51 0.08 0.00 -1.01 0.00 0.00 57.07 57.66 3mof s TYR 557 Cb 0.00 -2.68 -0.07 0.00 -0.11 0.00 0.00 41.96 39.10 3mof s TYR 557 CO 0.00 0.54 0.00 0.14 -1.11 0.00 0.00 175.55 175.12 3mof s VAL 558 N -1.12 2.22 0.34 0.71 -7.23 0.05 0.34 120.40 115.71 3mof s VAL 558 Ca 0.33 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 3mof s VAL 558 Cb -0.22 -2.86 -0.12 0.00 0.56 0.00 0.00 36.38 33.74 3mof s VAL 558 CO 0.24 -0.09 1.46 -2.65 -0.31 0.00 0.00 175.10 173.75 3mof n PRO 559 N -0.95 2.52 -1.29 4.82 -0.02 -1.26 -0.25 135.00 138.57 3mof n PRO 559 Ca -0.04 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 3mof n PRO 559 Cb 0.65 -2.59 0.10 0.00 -0.02 0.00 0.00 33.50 31.64 3mof n PRO 559 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mof s LYS 560 N -1.61 2.00 0.16 -0.52 1.02 -0.86 -4.60 119.74 115.34 3mof s LYS 560 Ca 0.57 1.58 -0.33 0.00 0.02 0.00 0.00 55.97 57.80 3mof s LYS 560 Cb -0.51 -1.84 -0.16 0.00 -0.52 0.00 0.00 37.83 34.81 3mof s LYS 560 CO 0.59 -1.90 1.23 0.39 -0.92 0.00 0.00 175.35 174.74 3mof n GLU 561 N -3.13 1.25 -0.59 1.68 1.02 -1.26 -0.79 120.64 118.82 3mof n GLU 561 Ca 0.12 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3mof n GLU 561 Cb 0.51 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 2.16 0.00 0.12 1.62 8.00 -1.26 -4.85 116.55 122.33 3mof n ASP 562 Ca 0.15 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.63 3mof n ASP 562 Cb 0.24 -0.89 0.15 0.00 -0.02 0.00 0.00 41.12 40.60 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 0.91 -2.62 2.24 0.00 -1.31 -3.43 119.26 115.06 3mof h ALA 563 Ca 0.00 -0.56 -0.52 0.00 0.00 0.00 0.00 54.91 53.83 3mof h ALA 563 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mof h ALA 563 CO 0.00 0.76 0.30 -0.51 0.00 0.00 0.00 179.25 179.80 3mof s LEU 564 N -7.72 4.51 -0.56 0.00 1.43 -1.26 -4.94 118.68 110.15 3mof s LEU 564 Ca -0.02 1.71 -0.28 0.00 -1.03 0.00 0.00 54.13 54.51 3mof s LEU 564 Cb 0.12 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3mof s LEU 564 CO 0.78 -0.01 1.46 0.21 0.23 0.00 0.00 176.35 179.02 3mof s ASN 565 N -0.20 6.06 -0.17 2.29 3.84 -1.26 -4.83 114.94 120.66 3mof s ASN 565 Ca 0.43 0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.99 3mof s ASN 565 Cb -0.23 -2.54 0.56 0.00 -0.55 0.00 0.00 41.25 38.49 3mof s ASN 565 CO 0.28 -1.76 1.46 0.18 -2.79 0.00 0.00 177.10 174.47 3mof n LEU 566 N 9.83 4.10 -4.73 3.21 4.77 -1.26 -4.87 117.00 128.05 3mof n LEU 566 Ca 0.13 -2.94 -0.41 0.00 -0.03 0.00 0.00 56.01 52.76 3mof n LEU 566 Cb 0.49 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3mof n LEU 566 CO 0.71 0.67 0.94 -0.54 -1.33 0.00 0.00 177.39 177.84 3mof s LYS 567 N -2.70 4.43 0.00 3.23 1.02 -1.26 -2.14 119.74 122.32 3mof s LYS 567 Ca 0.43 1.94 0.00 0.00 0.02 0.00 0.00 55.97 58.36 3mof s LYS 567 Cb 0.34 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 3mof s LYS 567 CO 0.10 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 3mof n GLY 568 N 2.59 0.88 2.57 -3.33 0.00 -1.26 -4.90 105.19 101.74 3mof n GLY 568 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 3.07 0.29 0.99 4.77 -0.91 -4.97 117.00 120.24 3mof n LEU 569 Ca 0.00 -4.66 0.18 0.00 -0.03 0.00 0.00 56.01 51.49 3mof n LEU 569 Cb 0.00 -0.02 0.98 0.00 -2.33 0.00 0.00 43.42 42.06 3mof n LEU 569 CO 0.00 1.99 1.15 1.23 -1.33 0.00 0.00 177.39 180.43 3mof h GLY 570 N 2.82 0.00 1.29 -0.72 0.00 -1.91 -2.95 103.07 101.60 3mof h GLY 570 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3mof h GLY 570 CO 0.68 0.00 -0.28 2.09 0.00 0.00 0.00 176.54 179.03 3mof n ASP 571 N -3.57 0.35 -4.68 0.19 5.75 -1.26 -4.94 116.55 108.39 3mof n ASP 571 Ca -0.02 -0.06 -0.42 0.00 -0.01 0.00 0.00 54.79 54.28 3mof n ASP 571 Cb 0.14 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 3mof n ASP 571 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mof s VAL 572 N -2.92 2.70 -1.14 2.12 1.01 -1.12 -4.89 120.40 116.15 3mof s VAL 572 Ca 0.14 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 3mof s VAL 572 Cb 0.18 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3mof s VAL 572 CO 0.61 -0.00 1.81 0.21 0.00 0.00 0.00 175.10 177.73 3mof s ASN 573 N 3.36 5.80 0.42 3.32 3.84 -1.26 -4.80 114.94 125.62 3mof s ASN 573 Ca 0.84 -1.69 0.12 0.00 0.21 0.00 0.00 52.86 52.34 3mof s ASN 573 Cb -0.45 -2.58 0.90 0.00 -0.55 0.00 0.00 41.25 38.57 3mof s ASN 573 CO 0.38 -2.22 1.95 -0.37 -2.79 0.00 0.00 177.10 174.05 3mof h VAL 574 N 6.28 1.16 0.03 -5.21 -1.51 -1.95 -2.04 116.25 113.02 3mof h VAL 574 Ca 0.26 -0.72 0.01 0.00 -1.23 0.00 0.00 66.70 65.02 3mof h VAL 574 Cb 0.94 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 3mof h VAL 574 CO 1.32 0.21 -0.07 -0.33 -1.23 0.00 0.00 177.57 177.48 3mof h GLU 575 N 0.10 -0.13 0.22 5.19 4.39 -1.98 -2.25 114.58 120.12 3mof h GLU 575 Ca 0.02 0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.40 3mof h GLU 575 Cb 0.36 0.03 0.04 0.00 -0.10 0.00 0.00 28.75 29.07 3mof h GLU 575 CO 0.02 -0.09 -1.40 1.49 -1.16 0.00 0.00 179.01 177.87 3mof h GLU 576 N -0.14 0.56 -0.82 2.33 4.81 -1.93 -2.28 114.58 117.11 3mof h GLU 576 Ca 0.02 -0.90 -0.02 0.00 -0.13 0.00 0.00 59.36 58.32 3mof h GLU 576 Cb 0.15 0.33 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3mof h GLU 576 CO -0.05 1.43 0.42 1.25 -0.73 0.00 0.00 179.01 181.33 3mof h LEU 577 N 0.16 1.05 -1.45 1.64 5.85 -1.37 -2.83 115.31 118.36 3mof h LEU 577 Ca -0.24 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3mof h LEU 577 Cb 2.09 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3mof h LEU 577 CO 0.26 0.87 -0.19 0.49 -0.34 0.00 0.00 178.44 179.53 3mof n PHE 578 N -4.32 0.00 -1.87 1.25 3.72 -0.85 -3.02 117.46 112.36 3mof n PHE 578 Ca 0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.07 3mof n PHE 578 Cb 0.12 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3mof n PHE 578 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3mof s GLY 579 N -2.20 2.89 -0.19 1.37 0.00 -0.86 -4.86 107.32 103.47 3mof s GLY 579 Ca 0.25 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.48 3mof s GLY 579 CO 0.41 2.20 -0.10 -0.42 0.00 0.00 0.00 173.10 175.19 3mof s ILE 580 N -1.03 1.63 -0.22 0.90 1.01 -1.26 -4.52 121.20 117.71 3mof s ILE 580 Ca 0.53 -0.97 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3mof s ILE 580 Cb -0.45 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3mof s ILE 580 CO 0.60 0.19 0.14 -0.55 0.00 0.00 0.00 174.94 175.32 3mof s SER 581 N 1.41 6.08 0.19 3.58 0.15 -1.26 -5.01 113.70 118.83 3mof s SER 581 Ca -0.01 0.13 -0.14 0.00 0.70 0.00 0.00 55.95 56.64 3mof s SER 581 Cb -0.16 -2.08 0.19 0.00 -1.71 0.00 0.00 66.02 62.25 3mof s SER 581 CO -0.08 0.10 1.69 0.50 1.20 0.00 0.00 173.24 176.65 3mof h LYS 582 N 7.23 0.12 -0.40 5.44 3.64 -1.98 -1.29 116.57 129.32 3mof h LYS 582 Ca -0.39 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.99 3mof h LYS 582 Cb 1.16 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3mof h LYS 582 CO 0.69 0.08 0.25 1.49 -2.27 0.00 0.00 179.45 179.69 3mof h GLU 583 N 0.12 0.54 -0.14 1.90 4.81 -1.97 0.22 114.58 120.05 3mof h GLU 583 Ca 0.25 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3mof h GLU 583 Cb 0.37 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3mof h GLU 583 CO -0.41 0.39 -0.05 0.35 -0.73 0.00 0.00 179.01 178.56 3mof h PHE 584 N 0.53 -0.11 0.00 0.92 3.57 -1.96 -2.76 116.94 117.14 3mof h PHE 584 Ca 0.15 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3mof h PHE 584 Cb -0.02 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3mof h PHE 584 CO -0.04 -0.08 -0.55 -1.49 -2.23 0.00 0.00 178.31 173.92 3mof h TRP 585 N -0.02 0.00 -0.64 0.41 4.06 -0.99 -0.49 115.95 118.28 3mof h TRP 585 Ca 0.07 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 3mof h TRP 585 Cb 0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 3mof h TRP 585 CO -0.19 0.55 0.40 0.93 -3.56 0.00 0.00 178.44 176.57 3mof h GLU 586 N 0.00 0.87 -0.25 0.49 5.08 -0.93 -0.90 114.58 118.94 3mof h GLU 586 Ca -0.01 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 3mof h GLU 586 Cb 1.02 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3mof h GLU 586 CO 0.07 0.61 -0.38 0.87 -1.00 0.00 0.00 179.01 179.18 3mof h LYS 587 N 0.87 0.56 -0.13 2.33 1.57 -1.18 -2.65 116.57 117.94 3mof h LYS 587 Ca 0.23 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3mof h LYS 587 Cb -0.05 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3mof h LYS 587 CO -0.05 0.86 -0.03 1.49 -0.57 0.00 0.00 179.45 181.15 3mof h GLU 588 N 0.47 0.25 -0.30 3.15 4.57 -0.82 -1.92 114.58 119.98 3mof h GLU 588 Ca 0.04 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 3mof h GLU 588 Cb 0.87 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3mof h GLU 588 CO 0.07 0.55 -0.15 -0.24 -1.18 0.00 0.00 179.01 178.06 3mof h VAL 589 N -0.06 1.24 -0.71 0.32 3.04 -1.21 -0.55 116.25 118.32 3mof h VAL 589 Ca 0.03 -1.10 -0.06 0.00 -1.01 0.00 0.00 66.70 64.57 3mof h VAL 589 Cb 0.45 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.89 3mof h VAL 589 CO 0.01 0.36 0.22 -0.08 -1.01 0.00 0.00 177.57 177.08 3mof h GLU 590 N 0.48 1.10 -0.14 4.17 4.57 -1.38 -0.85 114.58 122.53 3mof h GLU 590 Ca 0.08 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3mof h GLU 590 Cb 0.55 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3mof h GLU 590 CO 0.03 0.94 0.02 1.49 -1.18 0.00 0.00 179.01 180.31 3mof h GLU 591 N 1.06 0.24 -0.67 1.92 4.22 -0.78 -1.35 114.58 119.21 3mof h GLU 591 Ca 0.23 -0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.65 3mof h GLU 591 Cb 0.29 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3mof h GLU 591 CO -0.01 0.42 0.39 0.82 -2.18 0.00 0.00 179.01 178.45 3mof h ILE 592 N 0.02 1.02 0.06 2.32 2.04 -1.00 -1.69 117.51 120.28 3mof h ILE 592 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3mof h ILE 592 Cb 0.30 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3mof h ILE 592 CO 0.00 0.13 -0.07 -0.78 0.00 0.00 0.00 178.15 177.44 3mof h ASP 593 N 0.74 -0.17 -0.44 1.72 3.58 -0.81 -0.33 116.42 120.71 3mof h ASP 593 Ca 0.29 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 3mof h ASP 593 Cb 0.12 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3mof h ASP 593 CO -0.15 -0.10 0.23 0.11 -2.88 0.00 0.00 179.24 176.45 3mof h LYS 594 N -0.15 0.65 -0.07 0.28 1.57 -1.05 -1.22 116.57 116.59 3mof h LYS 594 Ca 0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3mof h LYS 594 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3mof h LYS 594 CO -0.02 0.51 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.32 3mof h TYR 595 N 0.66 0.25 -0.55 -1.35 3.20 -0.79 -1.36 116.97 117.02 3mof h TYR 595 Ca 0.17 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3mof h TYR 595 Cb 0.07 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3mof h TYR 595 CO 0.00 0.72 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.15 3mof h LEU 596 N -0.29 0.94 -0.03 2.82 3.38 -0.94 0.10 115.31 121.29 3mof h LEU 596 Ca 0.00 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3mof h LEU 596 Cb 0.70 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3mof h LEU 596 CO 0.03 1.01 -0.02 -0.08 0.09 0.00 0.00 178.44 179.46 3mof h GLU 597 N 0.88 -0.03 0.03 1.13 4.81 -1.18 -1.06 114.58 119.16 3mof h GLU 597 Ca 0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3mof h GLU 597 Cb 0.54 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3mof h GLU 597 CO 0.03 -0.02 -0.01 0.22 -0.73 0.00 0.00 179.01 178.50 3mof h ASP 598 N -0.03 -0.03 0.80 1.04 -0.00 -0.94 -2.46 116.42 114.81 3mof h ASP 598 Ca 0.02 -0.42 -0.13 0.00 -0.00 0.00 0.00 57.03 56.50 3mof h ASP 598 Cb 0.06 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.38 3mof h ASP 598 CO -0.05 0.41 -1.28 1.56 -0.00 0.00 0.00 179.24 179.88 3mof h GLN 599 N -0.49 0.00 0.00 0.28 1.08 -0.85 0.83 115.11 115.96 3mof h GLN 599 Ca -0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.04 3mof h GLN 599 Cb 0.45 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 3mof h GLN 599 CO 0.01 0.22 -1.57 0.28 -0.95 0.00 0.00 178.83 176.82 3mof n VAL 600 N -2.85 0.57 0.00 -0.54 0.31 -0.50 -4.54 118.33 110.78 3mof n VAL 600 Ca -0.07 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3mof n VAL 600 Cb 0.77 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3mof n VAL 600 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3mof n ASN 601 N -2.89 0.00 0.14 4.52 0.23 -0.61 -1.35 115.26 115.31 3mof n ASN 601 Ca -0.18 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.99 3mof n ASN 601 Cb 0.68 0.00 0.50 0.00 -2.08 0.00 0.00 39.78 38.88 3mof n ASN 601 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mof h ALA 602 N -0.25 1.00 -0.33 -2.53 0.00 -1.87 -2.60 119.26 112.68 3mof h ALA 602 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mof h ALA 602 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mof h ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 3mof n ASP 603 N -2.31 2.91 -4.66 0.00 8.00 -0.45 -4.92 116.55 115.12 3mof n ASP 603 Ca 0.02 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 3mof n ASP 603 Cb 0.26 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.49 4.15 0.43 0.64 2.96 -0.98 -4.34 118.68 120.05 3mof s LEU 604 Ca 0.37 1.61 -0.25 0.00 -0.22 0.00 0.00 54.13 55.63 3mof s LEU 604 Cb 0.21 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.28 3mof s LEU 604 CO 0.30 -0.77 1.34 -2.84 -1.32 0.00 0.00 176.35 173.06 3mof s PRO 605 N 3.49 3.80 0.27 0.98 0.02 -1.26 -4.87 135.00 137.43 3mof s PRO 605 Ca 0.53 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.78 3mof s PRO 605 Cb -0.20 -2.66 0.57 0.00 0.02 0.00 0.00 34.50 32.22 3mof s PRO 605 CO 0.14 -0.66 1.78 -0.92 -0.33 0.00 0.00 177.00 177.01 3mof h TYR 606 N 2.43 0.90 -0.49 6.54 3.20 -1.99 -1.31 116.97 126.26 3mof h TYR 606 Ca -0.50 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.46 3mof h TYR 606 Cb 1.26 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 3mof h TYR 606 CO 0.52 0.25 0.33 0.93 -1.64 0.00 0.00 178.16 178.54 3mof h GLU 607 N 0.73 0.41 0.07 1.82 3.07 -1.99 -0.30 114.58 118.38 3mof h GLU 607 Ca 0.49 -0.02 -0.27 0.00 -0.50 0.00 0.00 59.36 59.05 3mof h GLU 607 Cb 0.65 -0.09 0.02 0.00 -0.84 0.00 0.00 28.75 28.49 3mof h GLU 607 CO -0.34 0.27 -1.14 0.82 -1.40 0.00 0.00 179.01 177.22 3mof h ILE 608 N 0.42 1.33 -0.26 3.13 1.08 -1.61 -1.88 117.51 119.72 3mof h ILE 608 Ca 0.21 -2.47 -0.09 0.00 -0.39 0.00 0.00 64.86 62.12 3mof h ILE 608 Cb 0.30 2.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 3mof h ILE 608 CO -0.05 0.75 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.87 3mof h GLU 609 N 0.27 0.48 -0.17 2.37 4.22 -1.07 -1.60 114.58 119.08 3mof h GLU 609 Ca -0.15 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.13 3mof h GLU 609 Cb 1.80 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 3mof h GLU 609 CO 0.21 0.66 0.11 -0.09 -2.18 0.00 0.00 179.01 177.72 3mof h ARG 610 N 0.43 0.23 -0.69 1.92 2.43 -1.01 -1.32 114.38 116.37 3mof h ARG 610 Ca 0.07 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3mof h ARG 610 Cb 0.60 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 3mof h ARG 610 CO 0.04 0.15 0.42 0.93 -1.51 0.00 0.00 179.97 180.00 3mof h GLU 611 N 0.23 0.79 -0.36 0.20 4.39 -1.00 0.34 114.58 119.18 3mof h GLU 611 Ca 0.06 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.76 3mof h GLU 611 Cb -0.03 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.40 3mof h GLU 611 CO -0.01 0.53 0.11 1.25 -1.16 0.00 0.00 179.01 179.73 3mof h LEU 612 N 0.82 0.11 -0.63 1.33 5.85 -1.14 -0.28 115.31 121.36 3mof h LEU 612 Ca 0.29 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.07 3mof h LEU 612 Cb 0.06 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3mof h LEU 612 CO -0.12 0.10 0.40 0.03 -0.34 0.00 0.00 178.44 178.50 3mof h ARG 613 N 0.26 0.77 -0.29 1.25 3.08 -0.62 0.18 114.38 119.01 3mof h ARG 613 Ca 0.16 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3mof h ARG 613 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3mof h ARG 613 CO -0.18 0.51 0.09 0.00 -1.07 0.00 0.00 179.97 179.32 3mof h ALA 614 N 1.25 0.38 -0.30 0.04 0.00 -0.63 0.26 119.26 120.25 3mof h ALA 614 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mof h ALA 614 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mof h ALA 614 CO -0.08 0.02 0.20 1.25 0.00 0.00 0.00 179.25 180.63 3mof h LEU 615 N 0.30 0.35 -1.09 0.00 5.85 -0.92 0.18 115.31 120.00 3mof h LEU 615 Ca 0.09 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3mof h LEU 615 Cb 0.25 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3mof h LEU 615 CO -0.00 0.27 0.62 0.50 -0.34 0.00 0.00 178.44 179.48 3mof h LYS 616 N 0.40 1.02 -0.22 1.25 3.64 -0.83 -0.17 116.57 121.66 3mof h LYS 616 Ca 0.11 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3mof h LYS 616 Cb -0.03 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3mof h LYS 616 CO -0.02 0.68 -0.16 0.37 -2.27 0.00 0.00 179.45 178.04 3mof h GLN 617 N 1.05 0.49 -0.82 1.90 5.75 0.60 -1.94 115.11 122.15 3mof h GLN 617 Ca 0.43 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3mof h GLN 617 Cb 0.27 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3mof h GLN 617 CO -0.18 0.80 0.54 0.00 -2.65 0.00 0.00 178.83 177.34 3mof h ARG 618 N 0.18 1.05 -0.72 1.69 3.08 -0.16 -1.89 114.38 117.61 3mof h ARG 618 Ca 0.04 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3mof h ARG 618 Cb 0.68 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3mof h ARG 618 CO 0.04 0.70 0.19 0.82 -1.07 0.00 0.00 179.97 180.65 3mof h ILE 619 N 1.08 1.26 0.00 2.04 2.04 -1.01 -2.52 117.51 120.41 3mof h ILE 619 Ca 0.31 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3mof h ILE 619 Cb -0.09 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3mof h ILE 619 CO -0.08 0.37 -0.01 0.77 0.00 0.00 0.00 178.15 179.20 3mof h SER 620 N 1.08 0.00 -0.17 1.72 4.64 -0.54 -1.68 113.55 118.60 3mof h SER 620 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3mof h SER 620 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3mof h SER 620 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3mof n GLN 621 N -3.49 2.04 0.00 4.77 1.13 -0.95 -5.10 117.38 115.78 3mof n GLN 621 Ca -0.03 -1.55 0.08 0.00 -1.94 0.00 0.00 57.00 53.55 3mof n GLN 621 Cb 0.09 -1.46 0.45 0.00 0.11 0.00 0.00 30.24 29.44 3mof n GLN 621 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29