#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3moe s SER 0 N 0.00 6.27 0.23 1.61 1.04 -1.26 -4.26 113.70 117.33 3moe s SER 0 Ca 0.00 1.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.53 3moe s SER 0 Cb 0.00 -2.46 -0.10 0.00 0.10 0.00 0.00 66.02 63.57 3moe s SER 0 CO 0.00 -0.82 1.39 -0.32 0.98 0.00 0.00 173.24 174.47 3moe s MET 1 N -5.04 4.31 0.45 4.02 1.75 -1.26 -4.99 119.30 118.55 3moe s MET 1 Ca 0.55 2.21 -0.23 0.00 -1.25 0.00 0.00 55.69 56.97 3moe s MET 1 Cb -0.11 -3.14 -0.08 0.00 2.84 0.00 0.00 34.83 34.35 3moe s MET 1 CO 0.51 -0.35 1.14 -2.14 -0.65 0.00 0.00 175.02 173.53 3moe s PRO 2 N -0.32 3.81 0.38 4.11 0.02 -1.26 -4.96 135.00 136.78 3moe s PRO 2 Ca 0.58 1.71 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 3moe s PRO 2 Cb -0.40 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 31.62 3moe s PRO 2 CO 0.42 -0.49 1.42 -2.14 -0.33 0.00 0.00 177.00 175.87 3moe s PRO 3 N -2.70 4.09 -0.01 5.54 0.02 -1.26 -4.81 135.00 135.87 3moe s PRO 3 Ca 0.63 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.09 3moe s PRO 3 Cb -0.27 -2.93 0.01 0.00 0.02 0.00 0.00 34.50 31.33 3moe s PRO 3 CO 0.33 -0.49 -0.01 -0.65 -0.33 0.00 0.00 177.00 175.85 3moe s GLN 4 N -2.09 0.17 0.03 5.54 -0.21 -1.26 -4.98 119.66 116.87 3moe s GLN 4 Ca 0.53 -0.00 0.25 0.00 0.02 0.00 0.00 55.36 56.16 3moe s GLN 4 Cb -0.44 -0.25 0.49 0.00 1.00 0.00 0.00 33.01 33.82 3moe s GLN 4 CO 0.59 -0.03 1.41 1.28 -2.12 0.00 0.00 175.29 176.42 3moe n LEU 5 N 3.45 0.52 0.00 2.90 4.77 -1.26 -4.95 117.00 122.43 3moe n LEU 5 Ca -0.18 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3moe n LEU 5 Cb 0.56 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3moe n LEU 5 CO 0.25 0.07 0.00 1.41 -1.33 0.00 0.00 177.39 177.79 3moe n HIS 6 N -1.67 0.00 -2.80 -1.77 8.25 -1.26 -5.07 115.22 110.91 3moe n HIS 6 Ca 0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.50 3moe n HIS 6 Cb 0.36 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.54 3moe n HIS 6 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3moe n ASN 7 N 0.00 1.06 -0.86 0.41 5.15 -1.26 -4.94 115.26 114.82 3moe n ASN 7 Ca 0.00 -2.12 0.10 0.00 -0.60 0.00 0.00 54.58 51.96 3moe n ASN 7 Cb 0.00 -0.29 0.13 0.00 -0.53 0.00 0.00 39.78 39.09 3moe n ASN 7 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3moe n GLY 8 N -0.69 1.03 0.01 8.20 0.00 -1.26 -4.51 105.19 107.97 3moe n GLY 8 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 3moe n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3moe n LEU 9 N 1.14 0.00 -4.62 0.99 4.77 -1.26 -4.94 117.00 113.08 3moe n LEU 9 Ca 0.14 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 3moe n LEU 9 Cb 0.51 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 3moe n LEU 9 CO 0.13 0.05 0.75 -0.62 -1.33 0.00 0.00 177.39 176.36 3moe s ASP 10 N -3.05 6.76 0.00 -1.43 -1.08 -1.26 -4.88 116.67 111.72 3moe s ASP 10 Ca -0.01 0.78 0.16 0.00 -0.52 0.00 0.00 52.55 52.96 3moe s ASP 10 Cb 0.01 -2.46 0.58 0.00 -1.46 0.00 0.00 42.92 39.59 3moe s ASP 10 CO 0.11 -0.75 1.43 0.49 0.52 0.00 0.00 175.17 176.97 3moe n PHE 11 N 6.53 0.29 -0.34 -5.34 3.72 -1.26 -4.53 117.46 116.52 3moe n PHE 11 Ca 0.07 -0.14 0.09 0.00 -0.05 0.00 0.00 57.45 57.42 3moe n PHE 11 Cb 0.48 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.28 3moe n PHE 11 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3moe h SER 12 N 1.94 0.78 0.26 4.37 0.02 -1.99 -0.67 113.55 118.25 3moe h SER 12 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3moe h SER 12 Cb 0.43 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3moe h SER 12 CO 0.00 0.34 0.00 0.00 -1.14 0.00 0.00 176.83 176.03 3moe n ALA 13 N -2.36 1.28 0.04 3.77 0.00 -1.26 -2.17 120.51 119.81 3moe n ALA 13 Ca 0.20 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.83 3moe n ALA 13 Cb 0.46 -1.26 0.18 0.00 0.00 0.00 0.00 19.45 18.83 3moe n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3moe n LYS 14 N -2.01 2.34 -2.85 0.00 5.02 -0.26 -4.94 118.16 115.45 3moe n LYS 14 Ca 0.00 -2.07 -0.42 0.00 -2.02 0.00 0.00 58.31 53.80 3moe n LYS 14 Cb 0.10 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 3moe n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3moe s VAL 15 N -1.13 4.73 -1.60 -0.18 1.01 -0.92 -0.66 120.40 121.65 3moe s VAL 15 Ca 0.30 1.43 0.19 0.00 0.00 0.00 0.00 61.98 63.90 3moe s VAL 15 Cb 0.17 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3moe s VAL 15 CO 0.23 -0.26 0.94 2.30 0.00 0.00 0.00 175.10 178.30 3moe n ILE 16 N 5.54 0.00 -3.68 2.22 -5.35 0.57 -4.89 119.36 113.78 3moe n ILE 16 Ca 0.06 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.18 3moe n ILE 16 Cb 0.48 1.18 -0.09 0.00 -1.74 0.00 0.00 39.64 39.47 3moe n ILE 16 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3moe s GLN 17 N -2.29 0.54 0.77 6.28 0.74 -1.23 -4.99 119.66 119.47 3moe s GLN 17 Ca 0.14 0.88 0.00 0.00 0.05 0.00 0.00 55.36 56.43 3moe s GLN 17 Cb 0.15 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.38 3moe s GLN 17 CO 0.54 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.56 3moe n GLY 18 N 3.83 -1.85 3.13 2.59 0.00 -1.26 -1.15 105.19 110.48 3moe n GLY 18 Ca -0.20 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 3moe n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3moe s SER 19 N -4.00 -0.27 0.46 1.61 0.15 -1.26 -4.99 113.70 105.40 3moe s SER 19 Ca 0.00 0.68 0.15 0.00 0.70 0.00 0.00 55.95 57.48 3moe s SER 19 Cb 0.00 0.61 1.07 0.00 -1.71 0.00 0.00 66.02 65.99 3moe s SER 19 CO 0.00 -0.19 2.02 -0.07 1.20 0.00 0.00 173.24 176.20 3moe h LEU 20 N 7.36 0.00 -1.29 3.45 3.38 -1.94 -2.13 115.31 124.14 3moe h LEU 20 Ca -0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3moe h LEU 20 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3moe h LEU 20 CO 0.31 0.15 -0.11 0.44 0.09 0.00 0.00 178.44 179.32 3moe h ASP 21 N 0.00 0.00 0.85 -0.43 3.32 -1.96 0.18 116.42 118.38 3moe h ASP 21 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3moe h ASP 21 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3moe h ASP 21 CO 0.02 0.11 -0.62 -1.54 -1.72 0.00 0.00 179.24 175.49 3moe n SER 22 N -3.25 0.69 -4.78 6.45 3.41 -0.81 -1.35 113.62 113.98 3moe n SER 22 Ca 0.00 0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.36 3moe n SER 22 Cb 0.36 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3moe n SER 22 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3moe s LEU 23 N -4.16 3.99 0.42 1.04 1.43 -1.05 -4.68 118.68 115.67 3moe s LEU 23 Ca 0.06 2.20 -0.24 0.00 -1.03 0.00 0.00 54.13 55.12 3moe s LEU 23 Cb 0.14 -4.30 -0.11 0.00 0.03 0.00 0.00 46.19 41.95 3moe s LEU 23 CO 0.72 -0.85 0.94 -2.65 0.23 0.00 0.00 176.35 174.74 3moe n PRO 24 N -0.54 1.22 -0.22 1.29 -0.02 -1.26 0.01 135.00 135.48 3moe n PRO 24 Ca 0.07 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 62.02 3moe n PRO 24 Cb 0.49 -1.96 0.13 0.00 -0.02 0.00 0.00 33.50 32.14 3moe n PRO 24 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3moe h GLN 25 N 1.41 0.18 0.00 -0.52 5.75 -1.94 0.56 115.11 120.55 3moe h GLN 25 Ca -0.44 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 57.95 3moe h GLN 25 Cb 1.35 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 3moe h GLN 25 CO 0.56 0.12 -0.50 0.93 -2.65 0.00 0.00 178.83 177.29 3moe h GLU 26 N 0.18 0.00 -0.46 1.69 4.39 -1.94 -1.37 114.58 117.07 3moe h GLU 26 Ca 0.36 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.92 3moe h GLU 26 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3moe h GLU 26 CO -0.51 0.50 -0.25 0.28 -1.16 0.00 0.00 179.01 177.87 3moe h VAL 27 N 0.00 1.27 -0.20 3.13 2.07 -1.35 -1.94 116.25 119.22 3moe h VAL 27 Ca -0.00 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3moe h VAL 27 Cb 1.07 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3moe h VAL 27 CO 0.06 0.48 0.08 -0.09 0.02 0.00 0.00 177.57 178.13 3moe h ARG 28 N 0.83 0.18 -0.82 1.57 2.43 -0.66 -0.59 114.38 117.32 3moe h ARG 28 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3moe h ARG 28 Cb 0.82 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3moe h ARG 28 CO 0.07 0.12 0.43 0.87 -1.51 0.00 0.00 179.97 179.96 3moe h LYS 29 N 0.19 1.15 -0.20 0.20 1.57 -1.19 0.16 116.57 118.45 3moe h LYS 29 Ca 0.08 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3moe h LYS 29 Cb 0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3moe h LYS 29 CO -0.07 0.86 0.12 0.35 -0.57 0.00 0.00 179.45 180.13 3moe h PHE 30 N 1.15 0.26 0.09 -1.35 3.57 -0.95 -0.13 116.94 119.58 3moe h PHE 30 Ca 0.29 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3moe h PHE 30 Cb 0.05 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3moe h PHE 30 CO 0.01 0.21 -0.05 0.28 -2.23 0.00 0.00 178.31 176.54 3moe h VAL 31 N 0.23 1.04 -0.01 1.41 2.07 -0.77 -2.47 116.25 117.74 3moe h VAL 31 Ca 0.07 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.94 3moe h VAL 31 Cb 0.03 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3moe h VAL 31 CO -0.01 0.12 -0.77 -0.08 0.02 0.00 0.00 177.57 176.84 3moe h GLU 32 N -0.34 0.13 -0.50 1.57 4.81 -0.72 0.11 114.58 119.65 3moe h GLU 32 Ca -0.01 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3moe h GLU 32 Cb 0.29 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3moe h GLU 32 CO 0.02 0.84 -0.07 0.78 -0.73 0.00 0.00 179.01 179.85 3moe h GLY 33 N 1.91 1.00 2.00 1.92 0.00 -1.06 0.08 103.07 108.92 3moe h GLY 33 Ca -0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.39 3moe h GLY 33 CO 0.11 0.73 -0.58 3.43 0.00 0.00 0.00 176.54 180.22 3moe h ASN 34 N 0.78 0.00 -0.23 0.19 2.35 -1.27 -2.43 115.58 114.97 3moe h ASN 34 Ca 0.13 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3moe h ASN 34 Cb 0.62 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3moe h ASN 34 CO 0.04 0.58 -0.14 0.00 -1.65 0.00 0.00 177.43 176.27 3moe h ALA 35 N 1.42 1.09 -0.65 -0.83 0.00 -0.40 0.53 119.26 120.41 3moe h ALA 35 Ca -0.01 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3moe h ALA 35 Cb 1.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3moe h ALA 35 CO 0.08 0.56 0.41 1.96 0.00 0.00 0.00 179.25 182.26 3moe h GLN 36 N 0.58 0.79 -0.02 0.00 4.20 -0.83 0.82 115.11 120.66 3moe h GLN 36 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3moe h GLN 36 Cb 0.57 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3moe h GLN 36 CO 0.04 0.53 -0.06 1.25 -0.67 0.00 0.00 178.83 179.92 3moe h LEU 37 N 0.82 0.08 0.00 1.46 5.85 -1.20 -3.36 115.31 118.95 3moe h LEU 37 Ca 0.25 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3moe h LEU 37 Cb -0.02 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3moe h LEU 37 CO -0.09 0.69 -0.65 0.00 -0.34 0.00 0.00 178.44 178.06 3moe n GLN 39 N -2.58 -5.00 -1.58 0.00 1.13 0.27 -0.90 117.38 108.72 3moe n GLN 39 Ca 0.02 0.74 -0.33 0.00 -1.94 0.00 0.00 57.00 55.49 3moe n GLN 39 Cb 0.51 -5.49 0.07 0.00 0.11 0.00 0.00 30.24 25.44 3moe n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3moe s PRO 40 N -5.50 2.49 0.13 -1.09 0.04 -1.26 -3.31 135.00 126.51 3moe s PRO 40 Ca 0.09 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.52 3moe s PRO 40 Cb -0.02 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 3moe s PRO 40 CO 0.77 -1.50 1.38 1.49 0.04 0.00 0.00 177.00 179.18 3moe h GLU 41 N -0.24 0.73 -4.72 4.56 4.57 -0.83 -3.46 114.58 115.20 3moe h GLU 41 Ca -0.47 -0.54 -0.28 0.00 -1.18 0.00 0.00 59.36 56.89 3moe h GLU 41 Cb 1.26 0.09 -0.20 0.00 -0.16 0.00 0.00 28.75 29.75 3moe h GLU 41 CO 0.52 1.16 -0.73 0.71 -1.18 0.00 0.00 179.01 179.49 3moe s TYR 42 N -3.87 0.82 -0.09 0.92 2.02 -1.17 -4.84 117.35 111.15 3moe s TYR 42 Ca -0.09 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 3moe s TYR 42 Cb 0.10 -0.48 0.01 0.00 -0.40 0.00 0.00 41.96 41.19 3moe s TYR 42 CO 0.88 -0.07 -0.13 0.42 -1.57 0.00 0.00 175.55 175.08 3moe s ILE 43 N -1.93 1.29 -0.25 2.71 1.01 0.16 -0.66 121.20 123.54 3moe s ILE 43 Ca -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3moe s ILE 43 Cb -0.06 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.25 3moe s ILE 43 CO -0.00 0.40 -0.07 -2.28 0.00 0.00 0.00 174.94 172.98 3moe s HIS 44 N 0.88 3.08 -0.35 3.97 5.65 0.00 -0.31 115.29 128.21 3moe s HIS 44 Ca -0.10 -1.66 -0.20 0.00 0.25 0.00 0.00 55.06 53.35 3moe s HIS 44 Cb -0.15 -2.04 0.00 0.00 -1.18 0.00 0.00 32.58 29.21 3moe s HIS 44 CO 0.01 -0.75 0.62 0.42 -0.65 0.00 0.00 174.74 174.38 3moe s ILE 45 N 1.30 4.91 0.27 0.89 1.01 -0.30 -0.38 121.20 128.90 3moe s ILE 45 Ca -0.01 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 3moe s ILE 45 Cb -0.17 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 3moe s ILE 45 CO -0.05 -0.29 1.19 0.00 0.00 0.00 0.00 174.94 175.79 3moe n ASP 47 N 1.41 1.35 0.00 0.00 5.68 -1.26 -4.21 116.55 119.52 3moe n ASP 47 Ca 0.01 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 3moe n ASP 47 Cb 0.44 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 3moe n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3moe n GLY 48 N 1.25 0.53 3.78 6.12 0.00 -1.26 -1.81 105.19 113.81 3moe n GLY 48 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3moe n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3moe s SER 49 N -2.34 4.86 0.27 1.61 1.04 -1.26 -4.90 113.70 112.99 3moe s SER 49 Ca 0.00 1.78 -0.03 0.00 0.48 0.00 0.00 55.95 58.19 3moe s SER 49 Cb 0.00 -2.52 0.39 0.00 0.10 0.00 0.00 66.02 63.99 3moe s SER 49 CO 0.00 -1.79 1.90 -0.33 0.98 0.00 0.00 173.24 174.00 3moe h GLU 50 N -0.83 1.17 -0.37 4.02 5.08 -1.99 -1.86 114.58 119.80 3moe h GLU 50 Ca -0.44 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 3moe h GLU 50 Cb 1.23 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3moe h GLU 50 CO 0.53 0.77 -0.27 1.05 -1.00 0.00 0.00 179.01 180.10 3moe h GLU 51 N 1.21 0.83 -0.11 2.33 9.09 -1.99 -1.05 114.58 124.89 3moe h GLU 51 Ca 0.41 -0.40 0.01 0.00 0.05 0.00 0.00 59.36 59.42 3moe h GLU 51 Cb 0.08 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3moe h GLU 51 CO -0.14 1.04 0.05 1.49 0.05 0.00 0.00 179.01 181.50 3moe h GLU 52 N 0.63 0.12 -0.40 1.06 4.81 -1.87 -0.62 114.58 118.31 3moe h GLU 52 Ca 0.07 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3moe h GLU 52 Cb 0.84 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3moe h GLU 52 CO 0.07 0.08 0.23 -0.92 -0.73 0.00 0.00 179.01 177.74 3moe h TYR 53 N 0.12 0.44 -0.61 0.92 3.20 -1.08 0.21 116.97 120.18 3moe h TYR 53 Ca 0.05 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3moe h TYR 53 Cb 0.01 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3moe h TYR 53 CO -0.09 0.26 0.19 0.78 -1.64 0.00 0.00 178.16 177.66 3moe h GLY 54 N 0.48 0.98 1.04 1.82 0.00 -0.91 -1.45 103.07 105.03 3moe h GLY 54 Ca 0.16 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3moe h GLY 54 CO -0.07 0.51 0.09 3.21 0.00 0.00 0.00 176.54 180.28 3moe h ARG 55 N 0.89 1.01 -0.10 4.80 -0.00 -0.74 -0.79 114.38 119.44 3moe h ARG 55 Ca 0.20 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.98 59.40 3moe h ARG 55 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 29.97 30.10 3moe h ARG 55 CO -0.01 0.95 0.03 1.25 0.00 0.00 0.00 179.97 182.19 3moe h LEU 56 N 0.92 0.15 -0.56 3.04 5.85 -0.57 0.79 115.31 124.93 3moe h LEU 56 Ca 0.18 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3moe h LEU 56 Cb 0.44 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3moe h LEU 56 CO 0.01 0.32 0.35 -0.07 -0.34 0.00 0.00 178.44 178.71 3moe h LEU 57 N -0.02 0.58 -0.49 2.25 3.38 -1.21 0.10 115.31 119.90 3moe h LEU 57 Ca 0.03 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3moe h LEU 57 Cb 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3moe h LEU 57 CO -0.00 0.41 0.29 0.00 0.09 0.00 0.00 178.44 179.23 3moe h ALA 58 N 1.23 0.62 -0.25 1.53 0.00 -0.82 0.99 119.26 122.57 3moe h ALA 58 Ca 0.22 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3moe h ALA 58 Cb -0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3moe h ALA 58 CO -0.08 -0.02 -0.05 1.25 0.00 0.00 0.00 179.25 180.36 3moe h HIS 59 N 0.58 -0.10 -0.29 0.00 -0.00 -0.34 0.36 115.15 115.35 3moe h HIS 59 Ca 0.20 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 3moe h HIS 59 Cb 0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3moe h HIS 59 CO -0.07 -0.09 -0.22 0.52 -0.00 0.00 0.00 177.93 178.07 3moe h MET 60 N 0.02 0.54 -0.70 5.26 2.07 -0.34 -1.28 114.93 120.51 3moe h MET 60 Ca 0.12 -0.20 -0.07 0.00 -2.07 0.00 0.00 59.70 57.49 3moe h MET 60 Cb 0.18 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.84 3moe h MET 60 CO -0.25 0.73 0.17 0.37 1.07 0.00 0.00 176.91 179.00 3moe h GLN 61 N 0.48 1.12 -0.55 1.72 4.15 -0.44 -0.17 115.11 121.42 3moe h GLN 61 Ca 0.07 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 3moe h GLN 61 Cb 0.65 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 3moe h GLN 61 CO 0.05 0.99 0.14 0.93 -1.93 0.00 0.00 178.83 179.01 3moe h GLU 62 N 1.05 0.83 -0.04 1.69 5.08 -0.44 -2.20 114.58 120.55 3moe h GLU 62 Ca 0.22 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3moe h GLU 62 Cb 0.38 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3moe h GLU 62 CO 0.00 0.74 0.00 0.39 -1.00 0.00 0.00 179.01 179.15 3moe n GLU 63 N -4.28 1.47 -1.09 2.33 -0.58 -0.53 -4.93 120.64 113.03 3moe n GLU 63 Ca 0.04 -0.69 -0.03 0.00 -0.42 0.00 0.00 57.16 56.06 3moe n GLU 63 Cb 0.22 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 3moe n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3moe n GLY 64 N 1.09 0.58 0.18 0.62 0.00 -0.75 -4.93 105.19 101.98 3moe n GLY 64 Ca 0.19 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3moe n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3moe h VAL 65 N 0.00 1.37 -3.65 1.61 2.07 -1.30 -3.45 116.25 112.91 3moe h VAL 65 Ca -0.06 -2.22 -0.29 0.00 0.82 0.00 0.00 66.70 64.95 3moe h VAL 65 Cb 0.43 2.20 -0.15 0.00 -1.52 0.00 0.00 31.29 32.25 3moe h VAL 65 CO 0.09 0.67 -0.68 0.27 0.02 0.00 0.00 177.57 177.94 3moe s ILE 66 N -3.51 0.83 0.08 4.57 -4.36 -1.14 -4.46 121.20 113.21 3moe s ILE 66 Ca -0.06 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.43 3moe s ILE 66 Cb 0.10 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 3moe s ILE 66 CO 0.86 -0.62 -0.27 -0.13 0.24 0.00 0.00 174.94 175.02 3moe s ARG 67 N -3.85 1.62 0.17 0.37 0.52 0.09 -4.20 118.95 113.67 3moe s ARG 67 Ca 0.20 -1.21 -0.30 0.00 -0.52 0.00 0.00 55.73 53.90 3moe s ARG 67 Cb 0.05 -1.93 -0.07 0.00 0.52 0.00 0.00 34.95 33.51 3moe s ARG 67 CO 0.01 0.48 1.06 0.21 0.02 0.00 0.00 175.30 177.08 3moe s LYS 68 N -1.58 4.64 -0.73 3.54 2.20 -1.26 -0.59 119.74 125.95 3moe s LYS 68 Ca 0.13 1.64 -0.18 0.00 -0.36 0.00 0.00 55.97 57.20 3moe s LYS 68 Cb -0.10 -3.30 0.13 0.00 -1.51 0.00 0.00 37.83 33.05 3moe s LYS 68 CO 0.04 0.14 0.85 -0.51 -0.36 0.00 0.00 175.35 175.51 3moe s LEU 69 N -0.39 5.48 0.13 5.43 1.43 -0.14 -4.91 118.68 125.72 3moe s LEU 69 Ca 0.48 -1.80 0.19 0.00 -1.03 0.00 0.00 54.13 51.97 3moe s LEU 69 Cb -0.28 -2.32 0.81 0.00 0.03 0.00 0.00 46.19 44.43 3moe s LEU 69 CO 0.34 -1.03 1.59 2.29 0.23 0.00 0.00 176.35 179.78 3moe n LYS 70 N 6.05 0.10 0.21 1.70 2.85 -1.07 -2.07 118.16 125.93 3moe n LYS 70 Ca 0.04 0.33 0.07 0.00 -1.05 0.00 0.00 58.31 57.71 3moe n LYS 70 Cb 0.45 -1.69 0.46 0.00 -0.65 0.00 0.00 35.03 33.60 3moe n LYS 70 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3moe h LYS 71 N 0.00 0.00 -5.75 -1.58 3.64 -1.35 -3.46 116.57 108.07 3moe h LYS 71 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 3moe h LYS 71 Cb 0.31 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 3moe h LYS 71 CO 0.00 0.29 -0.35 0.71 -2.27 0.00 0.00 179.45 177.83 3moe s TYR 72 N -3.87 1.67 -0.40 1.91 2.02 -0.88 -5.02 117.35 112.78 3moe s TYR 72 Ca -0.01 -0.87 -0.14 0.00 -0.37 0.00 0.00 57.07 55.67 3moe s TYR 72 Cb 0.12 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.85 3moe s TYR 72 CO 0.66 -0.32 0.29 0.34 -1.57 0.00 0.00 175.55 174.95 3moe s ASP 73 N -4.19 6.09 -1.24 2.29 -1.08 -1.10 -4.47 116.67 112.97 3moe s ASP 73 Ca 0.27 -0.81 -0.02 0.00 -0.52 0.00 0.00 52.55 51.46 3moe s ASP 73 Cb -0.01 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.29 3moe s ASP 73 CO 0.17 -0.41 0.81 -3.20 0.52 0.00 0.00 175.17 173.06 3moe n ASN 74 N 5.14 -2.32 -4.42 -0.34 4.05 -1.26 -0.96 115.26 115.16 3moe n ASN 74 Ca -0.11 -0.77 -0.28 0.00 0.45 0.00 0.00 54.58 53.87 3moe n ASN 74 Cb 0.47 -4.42 -0.12 0.00 1.23 0.00 0.00 39.78 36.94 3moe n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3moe s TRP 76 N -1.38 0.30 -0.08 0.00 0.52 -0.52 -0.96 118.94 116.81 3moe s TRP 76 Ca 0.18 -0.70 0.01 0.00 0.02 0.00 0.00 56.10 55.60 3moe s TRP 76 Cb -0.09 -0.21 0.02 0.00 -1.15 0.00 0.00 33.47 32.04 3moe s TRP 76 CO 0.08 -0.39 -0.08 -1.17 0.02 0.00 0.00 176.95 175.42 3moe s LEU 77 N -2.46 1.30 -0.10 2.99 2.96 0.24 -0.28 118.68 123.33 3moe s LEU 77 Ca -0.00 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 3moe s LEU 77 Cb 0.02 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 3moe s LEU 77 CO -0.07 -0.07 -0.08 0.00 -1.32 0.00 0.00 176.35 174.81 3moe s ALA 78 N 1.27 2.89 -0.15 5.97 0.00 0.07 -0.73 121.76 131.09 3moe s ALA 78 Ca -0.04 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 3moe s ALA 78 Cb -0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 3moe s ALA 78 CO -0.03 0.42 -0.12 -0.51 0.00 0.00 0.00 175.76 175.52 3moe s LEU 79 N -0.27 2.71 0.42 0.00 1.43 -1.26 -0.72 118.68 120.99 3moe s LEU 79 Ca 0.03 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3moe s LEU 79 Cb -0.13 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.48 3moe s LEU 79 CO 0.03 0.13 0.59 0.42 0.23 0.00 0.00 176.35 177.74 3moe s THR 80 N 0.57 3.27 0.25 5.49 -4.23 -1.26 -4.66 115.64 115.06 3moe s THR 80 Ca -0.08 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.21 3moe s THR 80 Cb -0.16 -3.13 -0.12 0.00 1.34 0.00 0.00 72.50 70.43 3moe s THR 80 CO 0.03 -0.06 1.64 -0.67 -0.54 0.00 0.00 174.62 175.02 3moe n ASP 81 N -1.90 3.79 0.01 3.99 -0.08 -1.26 -4.86 116.55 116.23 3moe n ASP 81 Ca 0.06 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.47 3moe n ASP 81 Cb 0.59 -1.56 0.14 0.00 2.34 0.00 0.00 41.12 42.62 3moe n ASP 81 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3moe n PRO 82 N 2.98 0.01 0.01 -0.67 -0.04 -1.26 -0.87 135.00 135.16 3moe n PRO 82 Ca 0.12 0.41 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 3moe n PRO 82 Cb 0.35 -1.52 0.54 0.00 -0.04 0.00 0.00 33.50 32.84 3moe n PRO 82 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3moe n ARG 83 N -1.53 0.02 -3.64 0.54 1.74 -1.26 -4.51 116.66 108.03 3moe n ARG 83 Ca 0.01 0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 3moe n ARG 83 Cb 0.07 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 3moe n ARG 83 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3moe n ASP 84 N -1.55 1.33 0.00 0.55 2.03 -0.05 -4.90 116.55 113.96 3moe n ASP 84 Ca 0.07 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.56 3moe n ASP 84 Cb 0.35 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 3moe n ASP 84 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3moe n VAL 85 N 2.34 0.08 -3.48 5.18 0.24 -1.26 -4.56 118.33 116.86 3moe n VAL 85 Ca 0.25 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 3moe n VAL 85 Cb 0.42 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 34.05 3moe n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3moe s ALA 86 N -0.08 -1.76 0.31 2.33 0.00 -1.26 -4.81 121.76 116.49 3moe s ALA 86 Ca 0.00 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 3moe s ALA 86 Cb 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 23.12 23.43 3moe s ALA 86 CO 0.00 -0.66 1.21 -2.13 0.00 0.00 0.00 175.76 174.17 3moe n ARG 87 N -0.13 1.84 -3.89 0.00 0.63 -1.26 -4.89 116.66 108.95 3moe n ARG 87 Ca -0.12 0.64 -0.30 0.00 -0.92 0.00 0.00 57.85 57.15 3moe n ARG 87 Cb 0.62 -2.16 -0.15 0.00 0.45 0.00 0.00 32.46 31.22 3moe n ARG 87 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3moe s ILE 88 N -0.95 1.51 0.28 5.15 2.07 -1.26 -4.99 121.20 123.00 3moe s ILE 88 Ca 0.58 -1.59 0.05 0.00 -1.41 0.00 0.00 60.65 58.28 3moe s ILE 88 Cb -0.63 -1.99 0.02 0.00 0.13 0.00 0.00 42.46 39.99 3moe s ILE 88 CO 0.60 -0.43 1.67 -0.08 -1.91 0.00 0.00 174.94 174.78 3moe h GLU 89 N 7.90 0.29 0.00 3.50 4.81 -1.94 -2.54 114.58 126.60 3moe h GLU 89 Ca -0.12 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3moe h GLU 89 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3moe h GLU 89 CO 0.46 0.67 0.00 -1.13 -0.73 0.00 0.00 179.01 178.28 3moe n SER 90 N -4.01 0.53 -0.59 1.04 3.41 -1.26 -1.36 113.62 111.39 3moe n SER 90 Ca -0.02 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.36 3moe n SER 90 Cb 0.50 -0.79 0.17 0.00 -0.26 0.00 0.00 64.21 63.84 3moe n SER 90 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3moe n LYS 91 N -2.16 2.73 -4.25 4.33 4.76 -0.96 -5.00 118.16 117.60 3moe n LYS 91 Ca 0.00 -2.34 -0.34 0.00 -2.87 0.00 0.00 58.31 52.76 3moe n LYS 91 Cb 0.10 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 31.69 3moe n LYS 91 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3moe s THR 92 N -1.90 3.97 0.09 -0.18 2.01 -0.46 -0.75 115.64 118.42 3moe s THR 92 Ca 0.28 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.98 3moe s THR 92 Cb 0.21 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3moe s THR 92 CO 0.10 0.47 -0.06 0.68 -0.69 0.00 0.00 174.62 175.11 3moe s VAL 93 N 0.59 0.66 -0.05 3.82 -7.23 0.10 -4.56 120.40 113.73 3moe s VAL 93 Ca -0.02 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 3moe s VAL 93 Cb -0.14 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.13 3moe s VAL 93 CO 0.02 -0.88 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.12 3moe s ILE 94 N -3.63 1.56 -0.22 -0.62 1.01 -0.59 -1.71 121.20 117.00 3moe s ILE 94 Ca 0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3moe s ILE 94 Cb 0.05 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3moe s ILE 94 CO -0.05 0.45 0.03 -0.63 0.00 0.00 0.00 174.94 174.73 3moe s ILE 95 N 0.05 4.06 0.06 2.92 1.09 0.26 -1.48 121.20 128.17 3moe s ILE 95 Ca -0.05 -0.27 -0.05 0.00 -1.10 0.00 0.00 60.65 59.18 3moe s ILE 95 Cb -0.12 -2.87 -0.02 0.00 -1.06 0.00 0.00 42.46 38.39 3moe s ILE 95 CO 0.03 0.39 0.08 0.42 -0.10 0.00 0.00 174.94 175.76 3moe s THR 96 N 1.31 0.17 0.25 2.92 -4.23 -1.25 -4.23 115.64 110.57 3moe s THR 96 Ca 0.04 -1.38 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3moe s THR 96 Cb -0.15 -1.27 0.12 0.00 1.34 0.00 0.00 72.50 72.53 3moe s THR 96 CO 0.02 -0.76 1.75 -0.61 -0.54 0.00 0.00 174.62 174.48 3moe h GLN 97 N 3.16 0.88 -5.21 3.99 -0.00 -1.98 -3.40 115.11 112.53 3moe h GLN 97 Ca -0.34 -0.23 -0.64 0.00 -0.00 0.00 0.00 58.65 57.45 3moe h GLN 97 Cb 1.17 -0.11 -0.22 0.00 0.00 0.00 0.00 27.48 28.33 3moe h GLN 97 CO 0.58 0.85 -0.66 -1.21 0.00 0.00 0.00 178.83 178.39 3moe s GLU 98 N -5.07 3.67 0.32 1.69 0.41 -1.26 -4.92 118.70 113.54 3moe s GLU 98 Ca -0.10 -0.51 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 3moe s GLU 98 Cb 0.15 -3.02 0.62 0.00 -1.78 0.00 0.00 34.13 30.10 3moe s GLU 98 CO 0.82 0.14 1.92 0.37 -0.49 0.00 0.00 175.26 178.01 3moe h GLN 99 N 7.07 0.89 0.00 1.61 4.15 -1.94 -1.76 115.11 125.13 3moe h GLN 99 Ca -0.34 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 3moe h GLN 99 Cb 1.18 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 3moe h GLN 99 CO 0.63 0.59 -0.01 0.07 -1.93 0.00 0.00 178.83 178.18 3moe h ARG 100 N 0.92 0.00 0.00 1.69 0.11 -1.95 0.17 114.38 115.32 3moe h ARG 100 Ca 0.38 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.38 3moe h ARG 100 Cb 0.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 3moe h ARG 100 CO -0.15 0.01 -0.39 -0.44 0.10 0.00 0.00 179.97 179.10 3moe h ASP 101 N 0.00 0.00 0.03 0.08 3.32 -1.74 -3.35 116.42 114.76 3moe h ASP 101 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 3moe h ASP 101 Cb 0.13 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 3moe h ASP 101 CO 0.00 0.39 -2.06 0.41 -1.72 0.00 0.00 179.24 176.26 3moe n THR 102 N -3.60 1.59 -4.04 0.35 -1.04 -0.04 -1.29 114.28 106.21 3moe n THR 102 Ca -0.01 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.05 61.48 3moe n THR 102 Cb 0.50 -1.78 -0.12 0.00 -1.82 0.00 0.00 70.33 67.12 3moe n THR 102 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3moe s VAL 103 N -2.49 0.40 0.56 12.58 -7.23 -0.69 -2.62 120.40 120.91 3moe s VAL 103 Ca -0.31 -0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 58.70 3moe s VAL 103 Cb 0.09 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.51 3moe s VAL 103 CO 0.62 -0.37 1.33 -2.65 -0.31 0.00 0.00 175.10 173.71 3moe n PRO 104 N 1.65 1.59 -2.56 4.82 -0.02 -1.26 -4.01 135.00 135.20 3moe n PRO 104 Ca -0.22 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3moe n PRO 104 Cb 0.55 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3moe n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3moe s ILE 105 N -1.31 4.39 0.62 4.25 -1.09 -1.26 -4.89 121.20 121.92 3moe s ILE 105 Ca 0.73 1.61 -0.15 0.00 -2.23 0.00 0.00 60.65 60.61 3moe s ILE 105 Cb -0.42 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.14 3moe s ILE 105 CO 0.48 -0.43 1.06 -2.84 -1.23 0.00 0.00 174.94 171.98 3moe s PRO 106 N 3.76 3.19 0.08 2.79 0.02 -1.26 -4.59 135.00 138.99 3moe s PRO 106 Ca 0.49 1.18 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 3moe s PRO 106 Cb -0.14 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 32.27 3moe s PRO 106 CO 0.17 -0.92 1.55 -0.22 -0.33 0.00 0.00 177.00 177.26 3moe h LYS 107 N 0.18 0.37 0.00 5.54 3.64 -1.06 -3.41 116.57 121.83 3moe h LYS 107 Ca -0.46 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3moe h LYS 107 Cb 1.22 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3moe h LYS 107 CO 0.57 0.51 -0.55 -1.13 -2.27 0.00 0.00 179.45 176.58 3moe n SER 108 N -4.71 2.68 -2.51 4.20 3.41 -1.26 -5.10 113.62 110.32 3moe n SER 108 Ca -0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.52 3moe n SER 108 Cb 0.20 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 3moe n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3moe n GLY 109 N 2.01 3.53 3.78 5.00 0.00 -1.26 -5.11 105.19 113.14 3moe n GLY 109 Ca 0.00 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 3moe n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3moe s GLN 110 N -2.38 4.51 0.28 1.61 2.00 -1.26 -4.55 119.66 119.87 3moe s GLN 110 Ca 0.03 1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 54.22 3moe s GLN 110 Cb -0.00 -3.14 -0.10 0.00 0.80 0.00 0.00 33.01 30.56 3moe s GLN 110 CO 0.02 0.51 1.45 0.45 -0.50 0.00 0.00 175.29 177.22 3moe s SER 111 N -1.29 6.60 -0.19 6.67 0.15 -1.26 -4.89 113.70 119.49 3moe s SER 111 Ca 0.39 2.75 0.16 0.00 0.70 0.00 0.00 55.95 59.95 3moe s SER 111 Cb -0.21 -2.63 0.56 0.00 -1.71 0.00 0.00 66.02 62.02 3moe s SER 111 CO 0.25 -0.73 1.46 0.00 1.20 0.00 0.00 173.24 175.42 3moe n GLN 112 N 1.87 3.12 -0.29 5.44 1.13 -1.26 -4.59 117.38 122.80 3moe n GLN 112 Ca 0.05 -2.88 0.07 0.00 -1.94 0.00 0.00 57.00 52.30 3moe n GLN 112 Cb 0.40 -1.89 0.21 0.00 0.11 0.00 0.00 30.24 29.07 3moe n GLN 112 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3moe n LEU 113 N -0.40 3.40 0.00 1.08 4.77 -1.26 -4.89 117.00 119.70 3moe n LEU 113 Ca 0.22 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 3moe n LEU 113 Cb 0.93 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3moe n LEU 113 CO 0.17 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3moe n GLY 114 N 0.52 -0.04 2.54 -0.72 0.00 -1.26 -4.66 105.19 101.57 3moe n GLY 114 Ca 0.16 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 3moe n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3moe s ARG 115 N -1.98 0.31 0.27 1.61 3.52 -1.26 -4.85 118.95 116.56 3moe s ARG 115 Ca 0.00 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 3moe s ARG 115 Cb 0.00 -1.14 -0.09 0.00 -1.56 0.00 0.00 34.95 32.16 3moe s ARG 115 CO 0.00 -1.08 0.96 -0.46 -0.81 0.00 0.00 175.30 173.91 3moe s TRP 116 N 1.83 3.84 -0.03 5.12 -0.00 -1.26 -1.53 118.94 126.91 3moe s TRP 116 Ca 0.12 1.85 0.03 0.00 -0.00 0.00 0.00 56.10 58.10 3moe s TRP 116 Cb -0.18 -2.99 0.00 0.00 -0.00 0.00 0.00 33.47 30.30 3moe s TRP 116 CO -0.26 0.26 -0.11 1.41 -0.00 0.00 0.00 176.95 178.25 3moe s MET 117 N -1.51 1.11 0.73 5.86 -2.45 -0.55 -4.89 119.30 117.61 3moe s MET 117 Ca 0.45 -0.38 -0.11 0.00 -1.25 0.00 0.00 55.69 54.40 3moe s MET 117 Cb -0.24 -1.03 0.03 0.00 1.25 0.00 0.00 34.83 34.85 3moe s MET 117 CO 0.30 0.16 1.08 -1.54 1.05 0.00 0.00 175.02 176.07 3moe s SER 118 N 0.10 4.89 0.23 1.11 1.04 -1.26 -3.90 113.70 115.91 3moe s SER 118 Ca -0.02 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.11 3moe s SER 118 Cb -0.09 -2.51 0.35 0.00 0.10 0.00 0.00 66.02 63.87 3moe s SER 118 CO 0.01 -1.77 1.78 -0.33 0.98 0.00 0.00 173.24 173.91 3moe h GLU 119 N -0.84 0.61 -0.29 4.02 4.39 -1.92 -0.18 114.58 120.36 3moe h GLU 119 Ca -0.44 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.07 3moe h GLU 119 Cb 1.22 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3moe h GLU 119 CO 0.54 0.40 -0.45 1.05 -1.16 0.00 0.00 179.01 179.39 3moe h GLU 120 N 0.63 0.75 -0.54 2.33 9.09 -1.98 -0.10 114.58 124.75 3moe h GLU 120 Ca 0.36 -0.42 -0.10 0.00 0.05 0.00 0.00 59.36 59.25 3moe h GLU 120 Cb 0.37 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.48 3moe h GLU 120 CO -0.27 1.05 -0.06 -0.44 0.05 0.00 0.00 179.01 179.33 3moe h ASP 121 N 0.60 0.98 -0.58 3.06 3.32 -1.87 -2.51 116.42 119.42 3moe h ASP 121 Ca 0.04 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3moe h ASP 121 Cb 1.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3moe h ASP 121 CO 0.10 1.06 0.11 0.15 -1.72 0.00 0.00 179.24 178.94 3moe h PHE 122 N 0.89 1.04 -0.66 4.55 3.57 -0.69 -1.20 116.94 124.44 3moe h PHE 122 Ca 0.15 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3moe h PHE 122 Cb 0.61 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3moe h PHE 122 CO 0.04 0.88 0.41 1.49 -2.23 0.00 0.00 178.31 178.91 3moe h GLU 123 N 0.94 0.80 -0.43 1.11 4.81 -0.76 0.24 114.58 121.28 3moe h GLU 123 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3moe h GLU 123 Cb 0.40 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3moe h GLU 123 CO 0.01 0.53 0.23 0.87 -0.73 0.00 0.00 179.01 179.92 3moe h LYS 124 N 0.82 0.60 -0.65 1.92 1.57 -1.22 -1.22 116.57 118.40 3moe h LYS 124 Ca 0.26 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3moe h LYS 124 Cb -0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3moe h LYS 124 CO -0.10 0.49 0.26 0.00 -0.57 0.00 0.00 179.45 179.53 3moe h ALA 125 N 1.08 0.84 -0.43 3.86 0.00 -0.56 -2.00 119.26 122.06 3moe h ALA 125 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3moe h ALA 125 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3moe h ALA 125 CO -0.02 0.46 0.20 0.35 0.00 0.00 0.00 179.25 180.24 3moe h PHE 126 N 0.92 0.61 0.00 0.00 3.57 -0.34 -2.69 116.94 119.00 3moe h PHE 126 Ca 0.22 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3moe h PHE 126 Cb 0.20 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3moe h PHE 126 CO 0.01 0.50 0.00 -0.91 -2.23 0.00 0.00 178.31 175.69 3moe h ASN 127 N 0.55 0.00 0.53 0.41 2.35 -1.02 -0.37 115.58 118.03 3moe h ASN 127 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3moe h ASN 127 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3moe h ASN 127 CO -0.02 0.00 -0.22 0.00 -1.65 0.00 0.00 177.43 175.54 3moe n ALA 128 N -1.87 2.93 0.05 -0.83 0.00 -0.77 -4.51 120.51 115.52 3moe n ALA 128 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3moe n ALA 128 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3moe n ALA 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3moe n ARG 129 N -1.20 0.00 0.08 0.00 1.74 -0.63 -4.96 116.66 111.69 3moe n ARG 129 Ca 0.10 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 3moe n ARG 129 Cb 0.32 -0.48 -0.10 0.00 -1.02 0.00 0.00 32.46 31.18 3moe n ARG 129 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3moe h PHE 130 N 0.00 0.24 -1.98 -1.55 -1.00 -1.34 -3.41 116.94 107.90 3moe h PHE 130 Ca 0.00 -0.16 -0.63 0.00 2.81 0.00 0.00 57.97 59.99 3moe h PHE 130 Cb 0.04 -0.01 0.02 0.00 3.61 0.00 0.00 35.95 39.61 3moe h PHE 130 CO 0.00 1.09 1.04 -2.30 -1.61 0.00 0.00 178.31 176.53 3moe n PRO 131 N -3.49 2.03 -0.99 1.51 -0.02 -1.26 -1.30 135.00 131.48 3moe n PRO 131 Ca -0.04 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3moe n PRO 131 Cb 0.94 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3moe n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3moe n GLY 132 N 4.26 0.37 0.16 -1.23 0.00 0.10 -4.92 105.19 103.94 3moe n GLY 132 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3moe n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3moe n MET 134 N -2.52 3.30 -1.67 0.00 2.81 -0.08 -2.83 117.12 116.14 3moe n MET 134 Ca 0.03 -2.68 -0.46 0.00 -1.81 0.00 0.00 57.70 52.77 3moe n MET 134 Cb 0.34 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 3moe n MET 134 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3moe n LYS 135 N 0.95 2.13 -0.65 0.03 3.00 -0.95 -0.91 118.16 121.78 3moe n LYS 135 Ca 0.22 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.31 3moe n LYS 135 Cb 0.75 -2.55 0.00 0.00 0.00 0.00 0.00 35.03 33.23 3moe n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3moe n GLY 136 N 3.49 0.99 3.62 3.14 0.00 -1.26 -0.96 105.19 114.20 3moe n GLY 136 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3moe n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3moe s ARG 137 N -0.28 1.96 -0.06 1.61 0.52 -0.09 -4.77 118.95 117.84 3moe s ARG 137 Ca 0.00 -2.03 -0.21 0.00 -0.52 0.00 0.00 55.73 52.98 3moe s ARG 137 Cb 0.00 -1.70 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 3moe s ARG 137 CO 0.00 -0.00 0.59 0.99 0.02 0.00 0.00 175.30 176.89 3moe s THR 138 N -2.67 5.05 -0.37 0.02 2.01 -1.26 -0.33 115.64 118.09 3moe s THR 138 Ca 0.35 1.21 -0.22 0.00 0.31 0.00 0.00 61.69 63.34 3moe s THR 138 Cb 0.07 -3.93 0.01 0.00 0.01 0.00 0.00 72.50 68.66 3moe s THR 138 CO 0.18 0.34 0.70 -0.32 -0.69 0.00 0.00 174.62 174.83 3moe s MET 139 N 0.38 3.67 0.18 4.92 1.75 0.17 -4.19 119.30 126.17 3moe s MET 139 Ca 0.31 0.12 -0.21 0.00 -1.25 0.00 0.00 55.69 54.66 3moe s MET 139 Cb -0.17 -3.82 -0.08 0.00 2.84 0.00 0.00 34.83 33.60 3moe s MET 139 CO 0.15 -0.82 0.71 0.71 -0.65 0.00 0.00 175.02 175.13 3moe s TYR 140 N 2.90 3.76 -0.26 4.11 1.51 0.57 -0.82 117.35 129.12 3moe s TYR 140 Ca 0.27 1.44 -0.02 0.00 -1.01 0.00 0.00 57.07 57.75 3moe s TYR 140 Cb -0.14 -2.64 0.03 0.00 -0.11 0.00 0.00 41.96 39.10 3moe s TYR 140 CO 0.16 0.44 -0.03 0.08 -1.11 0.00 0.00 175.55 175.09 3moe s VAL 141 N -1.33 3.07 -0.36 0.71 1.01 0.49 -1.73 120.40 122.25 3moe s VAL 141 Ca 0.38 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 3moe s VAL 141 Cb -0.19 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.66 3moe s VAL 141 CO 0.22 0.14 0.13 -0.63 0.00 0.00 0.00 175.10 174.96 3moe s ILE 142 N 1.34 3.69 -0.22 2.22 1.01 0.57 -0.81 121.20 129.00 3moe s ILE 142 Ca -0.00 -1.32 -0.19 0.00 0.00 0.00 0.00 60.65 59.14 3moe s ILE 142 Cb -0.17 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3moe s ILE 142 CO -0.03 -0.29 0.55 -2.84 0.00 0.00 0.00 174.94 172.33 3moe s PRO 143 N 1.35 4.16 0.02 2.79 0.02 -1.26 -0.97 135.00 141.12 3moe s PRO 143 Ca -0.00 0.44 0.00 0.00 0.02 0.00 0.00 61.00 61.46 3moe s PRO 143 Cb -0.21 -3.60 -0.02 0.00 0.02 0.00 0.00 34.50 30.70 3moe s PRO 143 CO 0.01 -0.24 -0.04 -0.59 -0.33 0.00 0.00 177.00 175.81 3moe s PHE 144 N 1.94 0.33 -0.12 6.54 -0.71 -0.10 -1.22 117.98 124.63 3moe s PHE 144 Ca 0.24 -0.53 -0.02 0.00 -1.04 0.00 0.00 56.93 55.58 3moe s PHE 144 Cb -0.16 -0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 41.40 3moe s PHE 144 CO 0.09 -0.18 -0.05 0.45 -1.34 0.00 0.00 175.22 174.20 3moe s SER 145 N -1.50 4.75 -0.41 1.98 0.15 0.51 -0.54 113.70 118.64 3moe s SER 145 Ca -0.15 -0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.24 3moe s SER 145 Cb -0.10 -1.56 0.01 0.00 -1.71 0.00 0.00 66.02 62.67 3moe s SER 145 CO -0.01 0.25 0.52 -0.04 1.20 0.00 0.00 173.24 175.16 3moe s MET 146 N -0.12 3.31 0.00 5.44 -1.94 0.33 -2.65 119.30 123.66 3moe s MET 146 Ca 0.02 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 3moe s MET 146 Cb -0.13 -3.92 0.00 0.00 2.01 0.00 0.00 34.83 32.79 3moe s MET 146 CO 0.03 -0.84 0.00 0.41 -0.01 0.00 0.00 175.02 174.60 3moe n GLY 147 N 5.00 2.20 3.72 -0.03 0.00 0.33 -1.35 105.19 115.07 3moe n GLY 147 Ca -0.05 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3moe n GLY 147 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3moe n PRO 148 N 1.73 2.36 -1.76 1.61 -0.02 -1.26 -4.78 135.00 132.87 3moe n PRO 148 Ca 0.00 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.88 3moe n PRO 148 Cb 0.00 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 30.95 3moe n PRO 148 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3moe s LEU 149 N -0.98 3.46 0.00 2.45 2.96 -1.26 -0.44 118.68 124.87 3moe s LEU 149 Ca 0.59 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 3moe s LEU 149 Cb -0.55 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 42.69 3moe s LEU 149 CO 0.58 -1.91 0.00 0.61 -1.32 0.00 0.00 176.35 174.31 3moe n GLY 150 N 5.65 2.37 3.39 7.98 0.00 -1.26 -5.08 105.19 118.24 3moe n GLY 150 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3moe n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3moe n SER 151 N 0.00 -1.62 0.28 1.61 2.88 0.41 -4.85 113.62 112.34 3moe n SER 151 Ca 0.00 0.93 0.15 0.00 -1.33 0.00 0.00 58.87 58.62 3moe n SER 151 Cb 0.00 -1.00 0.88 0.00 -0.75 0.00 0.00 64.21 63.34 3moe n SER 151 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3moe h PRO 152 N 0.72 0.00 -0.01 -1.46 0.11 -1.90 -1.12 132.00 128.34 3moe h PRO 152 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3moe h PRO 152 Cb 1.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.53 3moe h PRO 152 CO 0.51 0.00 -0.40 1.28 -0.21 0.00 0.00 178.00 179.19 3moe n LEU 153 N -3.91 1.14 -4.82 2.35 4.77 -1.26 -4.95 117.00 110.31 3moe n LEU 153 Ca -0.02 -0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 3moe n LEU 153 Cb 0.11 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 3moe n LEU 153 CO 0.28 0.22 0.65 0.00 -1.33 0.00 0.00 177.39 177.22 3moe s ALA 154 N -2.62 3.04 0.04 -1.18 0.00 -0.43 -4.93 121.76 115.68 3moe s ALA 154 Ca 0.20 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.57 3moe s ALA 154 Cb 0.18 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3moe s ALA 154 CO 0.59 0.10 -0.10 0.15 0.00 0.00 0.00 175.76 176.50 3moe s LYS 155 N -3.26 0.64 -0.02 0.00 -0.14 -0.46 -4.94 119.74 111.55 3moe s LYS 155 Ca 0.62 -0.69 0.01 0.00 -1.36 0.00 0.00 55.97 54.55 3moe s LYS 155 Cb -0.09 -0.52 -0.04 0.00 -1.68 0.00 0.00 37.83 35.50 3moe s LYS 155 CO 0.15 0.12 0.00 0.42 -0.76 0.00 0.00 175.35 175.28 3moe s ILE 156 N -1.04 4.20 0.25 2.17 1.01 -1.26 -0.51 121.20 126.02 3moe s ILE 156 Ca -0.04 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3moe s ILE 156 Cb -0.08 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 3moe s ILE 156 CO 0.01 0.44 -0.07 -0.83 0.00 0.00 0.00 174.94 174.48 3moe s GLY 157 N -1.38 1.69 -0.16 6.18 0.00 0.30 -1.26 107.32 112.69 3moe s GLY 157 Ca 0.18 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.08 3moe s GLY 157 CO 0.08 -1.80 -0.11 -0.42 0.00 0.00 0.00 173.10 170.86 3moe s ILE 158 N -3.05 1.40 -0.21 0.90 -1.09 -0.46 -0.92 121.20 117.77 3moe s ILE 158 Ca 0.28 -0.65 -0.07 0.00 -2.23 0.00 0.00 60.65 57.98 3moe s ILE 158 Cb 0.03 -1.41 -0.03 0.00 -1.58 0.00 0.00 42.46 39.46 3moe s ILE 158 CO 0.10 0.32 0.04 -0.70 -1.23 0.00 0.00 174.94 173.48 3moe s GLU 159 N 1.53 3.76 -0.14 2.79 2.12 -0.14 -0.91 118.70 127.71 3moe s GLU 159 Ca 0.03 -0.45 -0.13 0.00 0.36 0.00 0.00 54.97 54.78 3moe s GLU 159 Cb -0.14 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 3moe s GLU 159 CO -0.09 0.05 0.28 -0.51 -0.54 0.00 0.00 175.26 174.46 3moe s LEU 160 N 0.94 4.28 0.04 2.70 1.43 0.12 -0.32 118.68 127.88 3moe s LEU 160 Ca 0.03 0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3moe s LEU 160 Cb -0.14 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3moe s LEU 160 CO 0.02 0.16 0.25 0.28 0.23 0.00 0.00 176.35 177.29 3moe s THR 161 N 0.13 0.09 -1.95 5.49 -1.32 -0.71 -0.68 115.64 116.70 3moe s THR 161 Ca 0.17 -0.78 0.22 0.00 -1.21 0.00 0.00 61.69 60.09 3moe s THR 161 Cb -0.13 -0.90 0.61 0.00 -1.51 0.00 0.00 72.50 70.57 3moe s THR 161 CO 0.05 -0.43 1.51 -0.90 -2.21 0.00 0.00 174.62 172.64 3moe n ASP 162 N 0.68 3.87 -4.32 8.08 5.68 -1.23 -0.31 116.55 129.00 3moe n ASP 162 Ca -0.19 -2.00 -0.36 0.00 -0.50 0.00 0.00 54.79 51.74 3moe n ASP 162 Cb 0.59 -0.46 -0.13 0.00 -1.14 0.00 0.00 41.12 39.98 3moe n ASP 162 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3moe s SER 163 N -1.04 4.84 0.48 -1.12 0.15 -1.26 -4.76 113.70 110.99 3moe s SER 163 Ca 0.47 -0.65 0.26 0.00 0.70 0.00 0.00 55.95 56.72 3moe s SER 163 Cb 0.25 -1.82 1.22 0.00 -1.71 0.00 0.00 66.02 63.96 3moe s SER 163 CO 0.32 -0.14 1.97 1.55 1.20 0.00 0.00 173.24 178.14 3moe h PRO 164 N 8.17 0.00 -0.51 5.44 0.13 -1.93 -1.98 132.00 141.31 3moe h PRO 164 Ca -0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3moe h PRO 164 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3moe h PRO 164 CO 0.59 0.17 0.32 -0.92 -0.23 0.00 0.00 178.00 177.93 3moe h TYR 165 N 0.00 0.67 -0.66 1.56 5.03 -1.97 -0.76 116.97 120.84 3moe h TYR 165 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3moe h TYR 165 Cb 0.51 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 3moe h TYR 165 CO 0.00 0.46 0.42 0.28 -1.32 0.00 0.00 178.16 178.00 3moe h VAL 166 N 0.69 1.18 -0.01 1.81 2.07 -1.71 -0.96 116.25 119.32 3moe h VAL 166 Ca 0.18 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3moe h VAL 166 Cb -0.02 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3moe h VAL 166 CO -0.04 0.18 0.01 0.58 0.02 0.00 0.00 177.57 178.32 3moe h VAL 167 N 0.89 1.01 -0.77 2.57 2.07 -0.87 0.17 116.25 121.33 3moe h VAL 167 Ca 0.24 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3moe h VAL 167 Cb -0.07 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3moe h VAL 167 CO -0.05 0.01 0.45 0.00 0.02 0.00 0.00 177.57 178.00 3moe h ALA 168 N 0.99 0.98 -0.55 1.67 0.00 -1.02 -1.06 119.26 120.28 3moe h ALA 168 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3moe h ALA 168 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3moe h ALA 168 CO -0.00 0.46 -0.11 0.77 0.00 0.00 0.00 179.25 180.36 3moe h SER 169 N 1.05 1.05 0.39 0.00 0.02 -0.98 -2.41 113.55 112.67 3moe h SER 169 Ca 0.27 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3moe h SER 169 Cb -0.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3moe h SER 169 CO -0.05 1.16 -0.26 0.24 -1.14 0.00 0.00 176.83 176.78 3moe h MET 170 N 0.93 0.00 -0.16 3.45 2.86 -0.37 0.23 114.93 121.86 3moe h MET 170 Ca 0.14 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3moe h MET 170 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3moe h MET 170 CO 0.05 0.26 -0.23 -0.09 1.06 0.00 0.00 176.91 177.96 3moe h ARG 171 N 0.00 0.28 0.07 1.72 2.43 -0.68 -0.64 114.38 117.56 3moe h ARG 171 Ca -0.00 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 3moe h ARG 171 Cb 0.52 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3moe h ARG 171 CO 0.03 0.51 -0.62 0.82 -1.51 0.00 0.00 179.97 179.20 3moe h ILE 172 N 0.26 1.51 0.00 1.20 2.04 -1.31 -3.38 117.51 117.83 3moe h ILE 172 Ca 0.04 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.60 3moe h ILE 172 Cb 0.55 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 3moe h ILE 172 CO 0.04 0.65 -0.11 0.23 0.00 0.00 0.00 178.15 178.96 3moe n MET 173 N -4.23 0.25 -4.34 2.37 2.81 0.02 -3.06 117.12 110.95 3moe n MET 173 Ca -0.12 0.18 -0.18 0.00 -1.81 0.00 0.00 57.70 55.77 3moe n MET 173 Cb 0.71 -1.77 -0.10 0.00 -0.71 0.00 0.00 33.22 31.36 3moe n MET 173 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3moe s THR 174 N -3.10 0.48 -0.30 2.03 -4.23 -0.26 -0.99 115.64 109.27 3moe s THR 174 Ca 0.10 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 3moe s THR 174 Cb 0.13 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 3moe s THR 174 CO 0.62 0.00 0.40 -0.13 -0.54 0.00 0.00 174.62 174.97 3moe s ARG 175 N -3.93 3.83 0.05 3.99 0.52 -1.08 -4.63 118.95 117.69 3moe s ARG 175 Ca 0.36 -0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.49 3moe s ARG 175 Cb 0.06 -3.72 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 3moe s ARG 175 CO 0.15 -0.41 -0.07 0.00 0.02 0.00 0.00 175.30 174.99 3moe s MET 176 N 2.12 0.56 0.00 3.54 0.23 -1.26 -0.36 119.30 124.13 3moe s MET 176 Ca 0.15 -0.84 0.00 0.00 -1.03 0.00 0.00 55.69 53.97 3moe s MET 176 Cb -0.16 -0.24 0.00 0.00 -1.53 0.00 0.00 34.83 32.91 3moe s MET 176 CO 0.11 0.03 0.00 0.41 -2.03 0.00 0.00 175.02 173.54 3moe n GLY 177 N 1.21 0.77 0.25 3.16 0.00 -0.36 -4.21 105.19 106.02 3moe n GLY 177 Ca -0.21 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 3moe n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3moe h THR 178 N 0.00 1.28 -0.07 2.61 2.02 -1.53 -1.45 112.91 115.77 3moe h THR 178 Ca 0.00 -1.50 0.02 0.00 0.77 0.00 0.00 66.41 65.70 3moe h THR 178 Cb 0.00 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3moe h THR 178 CO 0.00 0.49 0.08 0.77 0.37 0.00 0.00 175.52 177.23 3moe h SER 179 N 0.60 0.00 -0.04 4.18 4.64 -1.90 -1.35 113.55 119.69 3moe h SER 179 Ca 0.06 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 3moe h SER 179 Cb 0.88 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3moe h SER 179 CO 0.08 0.00 -0.61 0.58 -0.87 0.00 0.00 176.83 176.01 3moe h VAL 180 N 0.00 1.39 -0.91 0.95 2.07 -1.58 -1.51 116.25 116.67 3moe h VAL 180 Ca 0.03 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.57 3moe h VAL 180 Cb 0.19 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 3moe h VAL 180 CO -0.00 0.59 0.60 -0.07 0.02 0.00 0.00 177.57 178.71 3moe h LEU 181 N 0.03 1.02 -0.62 2.57 3.38 -1.22 0.09 115.31 120.56 3moe h LEU 181 Ca -0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3moe h LEU 181 Cb 1.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3moe h LEU 181 CO 0.12 0.73 -0.01 -0.33 0.09 0.00 0.00 178.44 179.03 3moe h GLU 182 N 1.20 1.07 -0.08 1.13 5.08 -1.21 -2.31 114.58 119.46 3moe h GLU 182 Ca 0.34 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3moe h GLU 182 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3moe h GLU 182 CO -0.09 1.05 -0.53 0.00 -1.00 0.00 0.00 179.01 178.44 3moe h ALA 183 N 0.99 0.95 -0.19 3.43 0.00 -0.79 -3.27 119.26 120.39 3moe h ALA 183 Ca 0.17 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3moe h ALA 183 Cb 0.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3moe h ALA 183 CO 0.03 0.68 -0.13 1.25 0.00 0.00 0.00 179.25 181.09 3moe h LEU 184 N 0.18 0.43 0.00 0.00 5.85 -0.71 -3.48 115.31 117.59 3moe h LEU 184 Ca 0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3moe h LEU 184 Cb 1.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3moe h LEU 184 CO 0.08 0.78 0.00 0.61 -0.34 0.00 0.00 178.44 179.58 3moe n GLY 185 N 0.08 2.93 1.57 3.75 0.00 -0.89 -0.91 105.19 111.72 3moe n GLY 185 Ca -0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 3moe n GLY 185 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3moe n ASP 186 N 1.77 3.53 -4.34 1.61 8.00 -1.26 -4.70 116.55 121.15 3moe n ASP 186 Ca 0.00 -2.79 -0.29 0.00 0.71 0.00 0.00 54.79 52.41 3moe n ASP 186 Cb 0.00 -0.67 0.17 0.00 -0.02 0.00 0.00 41.12 40.61 3moe n ASP 186 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3moe s GLY 187 N -0.35 1.65 0.52 0.44 0.00 -0.08 -5.03 107.32 104.46 3moe s GLY 187 Ca 0.32 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 43.99 3moe s GLY 187 CO 0.07 -0.17 1.00 -0.54 0.00 0.00 0.00 173.10 173.46 3moe s GLU 188 N -5.55 3.86 0.05 2.90 2.02 -1.26 -5.03 118.70 115.69 3moe s GLU 188 Ca 0.69 1.05 -0.12 0.00 0.02 0.00 0.00 54.97 56.61 3moe s GLU 188 Cb -0.09 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.03 3moe s GLU 188 CO 0.53 -0.35 0.25 -0.59 0.02 0.00 0.00 175.26 175.13 3moe s PHE 189 N -2.49 -0.01 -0.11 1.61 -0.71 -1.26 -4.69 117.98 110.31 3moe s PHE 189 Ca 0.61 -0.21 -0.28 0.00 -1.04 0.00 0.00 56.93 56.00 3moe s PHE 189 Cb -0.11 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 3moe s PHE 189 CO 0.29 -0.50 0.95 0.42 -1.34 0.00 0.00 175.22 175.04 3moe s ILE 190 N -2.85 4.82 -0.37 -4.49 -1.09 -0.39 -4.94 121.20 111.90 3moe s ILE 190 Ca -0.03 1.92 -0.24 0.00 -2.23 0.00 0.00 60.65 60.07 3moe s ILE 190 Cb 0.00 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 3moe s ILE 190 CO -0.05 0.03 0.85 -0.54 -1.23 0.00 0.00 174.94 174.00 3moe s LYS 191 N 1.93 3.79 -0.22 2.79 1.02 -0.25 -1.35 119.74 127.45 3moe s LYS 191 Ca 0.46 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.89 3moe s LYS 191 Cb -0.18 -3.81 0.03 0.00 -0.52 0.00 0.00 37.83 33.35 3moe s LYS 191 CO 0.17 -0.90 -0.14 0.00 -0.92 0.00 0.00 175.35 173.56 3moe s LEU 193 N 1.26 2.54 -0.03 0.00 2.96 0.28 -0.70 118.68 124.99 3moe s LEU 193 Ca 0.01 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 3moe s LEU 193 Cb -0.16 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.00 3moe s LEU 193 CO -0.09 0.16 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.82 3moe s HIS 194 N 0.35 0.35 0.02 5.38 5.65 0.15 -0.65 115.29 126.54 3moe s HIS 194 Ca -0.13 -0.03 0.02 0.00 0.25 0.00 0.00 55.06 55.17 3moe s HIS 194 Cb -0.16 -0.39 -0.01 0.00 -1.18 0.00 0.00 32.58 30.83 3moe s HIS 194 CO 0.07 -0.11 -0.07 0.45 -0.65 0.00 0.00 174.74 174.43 3moe s SER 195 N 0.80 0.74 0.44 9.88 0.15 -0.65 -3.49 113.70 121.57 3moe s SER 195 Ca -0.08 -0.33 0.30 0.00 0.70 0.00 0.00 55.95 56.53 3moe s SER 195 Cb -0.11 -0.01 1.19 0.00 -1.71 0.00 0.00 66.02 65.38 3moe s SER 195 CO -0.01 -0.07 1.87 -0.37 1.20 0.00 0.00 173.24 175.86 3moe h VAL 196 N 4.75 0.00 -0.15 4.45 -1.51 -1.88 0.18 116.25 122.09 3moe h VAL 196 Ca -0.32 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3moe h VAL 196 Cb 1.20 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3moe h VAL 196 CO 0.45 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 3moe n GLY 197 N 0.08 0.63 2.34 5.19 0.00 -1.26 -2.97 105.19 109.20 3moe n GLY 197 Ca 0.01 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3moe n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3moe n PRO 199 N 0.64 0.81 -3.51 0.00 -0.04 -1.13 -4.87 135.00 126.90 3moe n PRO 199 Ca 0.25 0.31 -0.36 0.00 -0.04 0.00 0.00 63.50 63.66 3moe n PRO 199 Cb 0.54 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.89 3moe n PRO 199 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3moe s LEU 200 N -1.39 4.41 0.44 1.53 1.43 -0.14 -3.62 118.68 121.34 3moe s LEU 200 Ca 0.74 0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 54.53 3moe s LEU 200 Cb -0.42 -2.83 -0.09 0.00 0.03 0.00 0.00 46.19 42.88 3moe s LEU 200 CO 0.49 0.24 1.05 -2.16 0.23 0.00 0.00 176.35 176.19 3moe s PRO 201 N -1.52 3.99 0.17 1.29 0.04 -1.26 -4.52 135.00 133.18 3moe s PRO 201 Ca 0.29 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.46 3moe s PRO 201 Cb -0.15 -2.33 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 3moe s PRO 201 CO 0.16 -0.28 1.79 1.28 0.04 0.00 0.00 177.00 179.98 3moe n LEU 202 N -0.50 4.04 0.15 -3.56 4.77 -1.24 -4.89 117.00 115.77 3moe n LEU 202 Ca 0.07 1.02 0.11 0.00 -0.03 0.00 0.00 56.01 57.18 3moe n LEU 202 Cb 0.51 -1.56 0.06 0.00 -2.33 0.00 0.00 43.42 40.10 3moe n LEU 202 CO 0.42 0.19 0.31 0.11 -1.33 0.00 0.00 177.39 177.10 3moe h LYS 203 N 7.70 0.00 -4.93 3.23 1.79 -1.95 -3.48 116.57 118.94 3moe h LYS 203 Ca -0.45 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.73 3moe h LYS 203 Cb 1.21 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.71 3moe h LYS 203 CO 0.95 0.03 -0.71 0.15 -1.08 0.00 0.00 179.45 178.79 3moe s LYS 204 N -3.28 0.97 0.43 3.15 1.02 -1.26 -5.13 119.74 115.63 3moe s LYS 204 Ca 0.02 -1.38 -0.26 0.00 0.02 0.00 0.00 55.97 54.37 3moe s LYS 204 Cb 0.08 -0.48 -0.09 0.00 -0.52 0.00 0.00 37.83 36.82 3moe s LYS 204 CO 0.75 0.05 1.39 -2.14 -0.92 0.00 0.00 175.35 174.47 3moe s PRO 205 N -3.66 3.83 -0.24 -1.68 0.02 -1.26 -4.98 135.00 127.03 3moe s PRO 205 Ca 0.14 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.36 3moe s PRO 205 Cb 0.03 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 3moe s PRO 205 CO -0.01 -0.67 0.29 -1.17 -0.33 0.00 0.00 177.00 175.11 3moe s LEU 206 N -2.55 4.10 -0.23 -5.54 2.96 -1.26 -5.04 118.68 111.12 3moe s LEU 206 Ca 0.59 0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 54.67 3moe s LEU 206 Cb -0.42 -2.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 3moe s LEU 206 CO 0.54 -0.06 0.15 -0.69 -1.32 0.00 0.00 176.35 174.97 3moe s VAL 207 N 1.47 5.25 -1.46 1.68 1.01 -1.26 -4.51 120.40 122.58 3moe s VAL 207 Ca 0.13 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 3moe s VAL 207 Cb -0.15 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.84 3moe s VAL 207 CO 0.08 0.36 0.78 0.59 0.00 0.00 0.00 175.10 176.90 3moe n ASN 208 N 4.24 -5.11 -2.29 3.32 5.03 -1.26 -1.56 115.26 117.64 3moe n ASN 208 Ca -0.15 -0.51 -0.13 0.00 0.87 0.00 0.00 54.58 54.65 3moe n ASN 208 Cb 0.52 -4.11 -0.01 0.00 -1.02 0.00 0.00 39.78 35.15 3moe n ASN 208 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3moe n ASN 209 N -2.63 -4.04 -3.97 6.41 3.02 -1.26 -4.75 115.26 108.04 3moe n ASN 209 Ca -0.02 0.19 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 3moe n ASN 209 Cb 0.56 -3.46 -0.15 0.00 -0.61 0.00 0.00 39.78 36.12 3moe n ASN 209 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3moe s TRP 210 N -2.59 3.15 0.10 3.10 -0.11 -0.60 -4.66 118.94 117.33 3moe s TRP 210 Ca 0.00 -2.51 -0.31 0.00 1.22 0.00 0.00 56.10 54.51 3moe s TRP 210 Cb 0.00 -2.37 -0.07 0.00 -1.50 0.00 0.00 33.47 29.54 3moe s TRP 210 CO 0.00 -0.90 1.23 0.00 -4.62 0.00 0.00 176.95 172.66 3moe s ALA 211 N 1.12 3.43 0.23 5.86 0.00 -1.26 -4.41 121.76 126.74 3moe s ALA 211 Ca 0.05 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.70 3moe s ALA 211 Cb -0.19 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3moe s ALA 211 CO -0.10 -0.45 0.77 0.00 0.00 0.00 0.00 175.76 175.98 3moe s ASN 213 N -2.90 1.29 0.25 0.00 3.84 0.14 -4.82 114.94 112.74 3moe s ASN 213 Ca 0.10 -2.96 -0.06 0.00 0.21 0.00 0.00 52.86 50.15 3moe s ASN 213 Cb -0.04 -0.30 0.25 0.00 -0.55 0.00 0.00 41.25 40.61 3moe s ASN 213 CO 0.04 -0.17 1.92 -0.65 -2.79 0.00 0.00 177.10 175.45 3moe h PRO 214 N 5.65 1.31 0.00 0.43 0.11 -1.93 -2.24 132.00 135.32 3moe h PRO 214 Ca 0.25 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3moe h PRO 214 Cb 0.92 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3moe h PRO 214 CO 0.35 0.87 -0.13 0.93 -0.21 0.00 0.00 178.00 179.80 3moe h GLU 215 N 1.35 0.00 -0.34 1.05 3.07 -1.95 -2.40 114.58 115.36 3moe h GLU 215 Ca 0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3moe h GLU 215 Cb -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3moe h GLU 215 CO -0.08 0.13 0.00 1.28 -1.40 0.00 0.00 179.01 178.94 3moe n LEU 216 N -3.65 3.62 -4.77 1.33 4.77 -0.94 -5.02 117.00 112.34 3moe n LEU 216 Ca -0.02 -2.54 -0.41 0.00 -0.03 0.00 0.00 56.01 53.01 3moe n LEU 216 Cb 0.25 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3moe n LEU 216 CO 0.31 0.71 1.06 -0.89 -1.33 0.00 0.00 177.39 177.25 3moe s THR 217 N -1.98 2.33 -0.29 -5.08 2.01 -0.89 -4.70 115.64 107.04 3moe s THR 217 Ca 0.35 0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 3moe s THR 217 Cb 0.25 -3.20 0.11 0.00 0.01 0.00 0.00 72.50 69.67 3moe s THR 217 CO 0.13 0.07 0.71 -0.22 -0.69 0.00 0.00 174.62 174.63 3moe s LEU 218 N -2.08 -0.99 -0.31 4.42 2.96 -0.37 -4.84 118.68 117.47 3moe s LEU 218 Ca 0.53 1.46 0.04 0.00 -0.22 0.00 0.00 54.13 55.93 3moe s LEU 218 Cb -0.43 2.27 0.09 0.00 0.50 0.00 0.00 46.19 48.61 3moe s LEU 218 CO 0.58 -0.22 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.76 3moe s ILE 219 N 2.24 2.26 0.13 6.68 1.09 0.07 -0.66 121.20 133.00 3moe s ILE 219 Ca -0.08 -2.08 0.08 0.00 -1.10 0.00 0.00 60.65 57.47 3moe s ILE 219 Cb -0.08 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 3moe s ILE 219 CO -0.19 -0.39 -0.10 0.00 -0.10 0.00 0.00 174.94 174.16 3moe s ALA 220 N 0.98 2.94 -0.03 9.38 0.00 0.41 -0.73 121.76 134.71 3moe s ALA 220 Ca 0.04 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3moe s ALA 220 Cb -0.19 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.11 3moe s ALA 220 CO -0.07 0.58 -0.05 -1.01 0.00 0.00 0.00 175.76 175.22 3moe s HIS 221 N -1.36 0.69 -0.61 0.00 3.76 -0.69 -0.86 115.29 116.22 3moe s HIS 221 Ca 0.22 -0.17 0.05 0.00 -0.15 0.00 0.00 55.06 55.00 3moe s HIS 221 Cb -0.10 -0.59 0.17 0.00 1.11 0.00 0.00 32.58 33.16 3moe s HIS 221 CO 0.14 -0.14 0.43 -0.51 -0.85 0.00 0.00 174.74 173.81 3moe s LEU 222 N 0.66 3.90 0.43 0.89 1.02 0.37 -0.57 118.68 125.38 3moe s LEU 222 Ca -0.09 -3.57 0.11 0.00 0.02 0.00 0.00 54.13 50.60 3moe s LEU 222 Cb -0.12 -1.33 0.94 0.00 0.02 0.00 0.00 46.19 45.70 3moe s LEU 222 CO 0.00 -0.12 2.02 1.55 0.02 0.00 0.00 176.35 179.82 3moe h PRO 223 N 5.58 0.25 0.00 1.29 0.13 -1.78 -1.33 132.00 136.13 3moe h PRO 223 Ca 0.15 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3moe h PRO 223 Cb 0.81 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3moe h PRO 223 CO 0.62 0.27 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.96 3moe h ASP 224 N 0.24 0.00 -0.02 1.44 3.32 -1.94 -1.77 116.42 117.70 3moe h ASP 224 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3moe h ASP 224 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3moe h ASP 224 CO 0.00 0.26 -0.05 0.54 -1.72 0.00 0.00 179.24 178.28 3moe n ARG 225 N -3.62 2.03 -3.65 3.56 1.74 -0.58 -4.98 116.66 111.16 3moe n ARG 225 Ca -0.01 -1.58 -0.23 0.00 -0.77 0.00 0.00 57.85 55.26 3moe n ARG 225 Cb 0.39 -1.47 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 3moe n ARG 225 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3moe n ARG 226 N 0.90 -6.43 -4.96 5.56 5.12 -0.67 -4.85 116.66 111.33 3moe n ARG 226 Ca 0.15 0.74 -0.29 0.00 -1.93 0.00 0.00 57.85 56.51 3moe n ARG 226 Cb 0.53 -5.64 -0.15 0.00 -1.16 0.00 0.00 32.46 26.04 3moe n ARG 226 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3moe s GLU 227 N -6.08 1.76 -0.08 5.56 2.02 -0.93 -1.09 118.70 119.85 3moe s GLU 227 Ca 0.34 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.37 3moe s GLU 227 Cb -0.16 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 32.25 3moe s GLU 227 CO 0.77 0.48 -0.14 0.42 0.02 0.00 0.00 175.26 176.82 3moe s ILE 228 N -0.71 1.31 -0.11 -1.63 1.01 0.24 -0.48 121.20 120.85 3moe s ILE 228 Ca 0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 3moe s ILE 228 Cb -0.09 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.21 3moe s ILE 228 CO 0.01 0.40 -0.03 -0.63 0.00 0.00 0.00 174.94 174.69 3moe s ILE 229 N 0.80 0.69 -0.05 2.92 1.01 -0.04 -0.55 121.20 125.97 3moe s ILE 229 Ca -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3moe s ILE 229 Cb -0.16 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.51 3moe s ILE 229 CO 0.02 0.25 -0.05 -0.55 0.00 0.00 0.00 174.94 174.61 3moe s SER 230 N 1.84 1.11 -0.03 3.58 0.15 0.18 -0.44 113.70 120.08 3moe s SER 230 Ca 0.04 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.57 3moe s SER 230 Cb -0.13 -0.49 0.01 0.00 -1.71 0.00 0.00 66.02 63.70 3moe s SER 230 CO -0.07 -0.06 -0.09 0.12 1.20 0.00 0.00 173.24 174.33 3moe s PHE 231 N 1.02 1.04 0.00 3.44 5.36 0.16 -1.63 117.98 127.38 3moe s PHE 231 Ca -0.09 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 3moe s PHE 231 Cb -0.14 -0.76 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 3moe s PHE 231 CO -0.00 -0.14 0.00 0.41 -1.46 0.00 0.00 175.22 174.03 3moe n GLY 232 N 3.44 2.81 3.37 13.12 0.00 0.64 -1.24 105.19 127.33 3moe n GLY 232 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3moe n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3moe s SER 233 N -1.25 3.45 -0.02 1.61 0.15 -1.26 0.25 113.70 116.63 3moe s SER 233 Ca 0.00 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 56.49 3moe s SER 233 Cb 0.00 -0.65 0.65 0.00 -1.71 0.00 0.00 66.02 64.31 3moe s SER 233 CO 0.00 0.31 1.54 0.61 1.20 0.00 0.00 173.24 176.90 3moe n GLY 234 N 2.51 2.40 3.54 9.45 0.00 -1.26 -4.48 105.19 117.36 3moe n GLY 234 Ca -0.17 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 3moe n GLY 234 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3moe s TYR 235 N -1.17 3.09 0.00 1.61 5.04 -1.26 -4.72 117.35 119.94 3moe s TYR 235 Ca 0.48 -0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3moe s TYR 235 Cb 0.26 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.60 3moe s TYR 235 CO 0.31 0.05 0.00 0.41 -1.34 0.00 0.00 175.55 174.98 3moe n GLY 236 N 3.41 2.77 0.04 8.97 0.00 -1.26 -0.78 105.19 118.33 3moe n GLY 236 Ca -0.17 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3moe n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3moe n GLY 237 N 0.00 -0.96 0.18 -0.02 0.00 -1.26 -0.84 105.19 102.29 3moe n GLY 237 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3moe n GLY 237 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3moe h ASN 238 N 0.00 0.00 0.00 1.61 2.35 -1.30 -3.42 115.58 114.82 3moe h ASN 238 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3moe h ASN 238 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3moe h ASN 238 CO 0.00 0.09 -0.79 -1.54 -1.65 0.00 0.00 177.43 173.54 3moe n SER 239 N -3.02 3.94 -4.46 5.81 3.41 -0.57 -4.84 113.62 113.89 3moe n SER 239 Ca 0.02 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.20 3moe n SER 239 Cb 0.57 0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 65.04 3moe n SER 239 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3moe s LEU 240 N -3.01 4.95 0.08 1.04 1.43 -0.02 -4.87 118.68 118.28 3moe s LEU 240 Ca 0.00 -2.19 0.25 0.00 -1.03 0.00 0.00 54.13 51.16 3moe s LEU 240 Cb 0.00 -2.41 0.99 0.00 0.03 0.00 0.00 46.19 44.79 3moe s LEU 240 CO 0.00 -1.03 1.78 0.18 0.23 0.00 0.00 176.35 177.51 3moe n LEU 241 N 6.54 0.28 0.22 1.79 4.77 -1.26 -2.15 117.00 127.19 3moe n LEU 241 Ca 0.27 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.87 3moe n LEU 241 Cb 0.48 -0.46 0.52 0.00 -2.33 0.00 0.00 43.42 41.62 3moe n LEU 241 CO 0.54 -0.15 0.83 1.23 -1.33 0.00 0.00 177.39 178.50 3moe h GLY 242 N 4.11 0.00 0.00 -0.72 0.00 -1.97 -1.19 103.07 103.30 3moe h GLY 242 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3moe h GLY 242 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 3moe n LYS 243 N -3.75 0.00 0.05 4.80 4.81 -0.91 -1.29 118.16 121.87 3moe n LYS 243 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.23 3moe n LYS 243 Cb 0.35 -0.14 -0.13 0.00 0.02 0.00 0.00 35.03 35.13 3moe n LYS 243 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3moe h LYS 244 N 0.00 0.40 -0.17 1.64 1.79 -1.79 -1.25 116.57 117.20 3moe h LYS 244 Ca 0.00 -0.57 -0.05 0.00 -2.18 0.00 0.00 60.65 57.85 3moe h LYS 244 Cb 0.00 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3moe h LYS 244 CO 0.00 1.23 -0.11 0.00 -1.08 0.00 0.00 179.45 179.50 3moe h PHE 246 N 0.03 0.00 0.00 0.00 3.04 -1.33 -0.91 116.94 117.77 3moe h PHE 246 Ca 0.03 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3moe h PHE 246 Cb 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 3moe h PHE 246 CO 0.07 0.13 0.00 0.00 -2.02 0.00 0.00 178.31 176.49 3moe n ALA 247 N -3.10 2.27 -0.02 2.41 0.00 -0.41 -0.26 120.51 121.40 3moe n ALA 247 Ca -0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 3moe n ALA 247 Cb 0.16 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 3moe n ALA 247 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3moe n LEU 248 N -1.57 1.40 0.03 0.00 4.77 -0.78 -4.57 117.00 116.28 3moe n LEU 248 Ca 0.07 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 3moe n LEU 248 Cb 0.33 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 3moe n LEU 248 CO 0.26 -0.40 0.39 0.03 -1.33 0.00 0.00 177.39 176.35 3moe h ARG 249 N -0.46 -0.16 -0.38 3.23 3.08 -0.99 0.15 114.38 118.85 3moe h ARG 249 Ca -0.06 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3moe h ARG 249 Cb 0.60 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3moe h ARG 249 CO -0.03 0.32 0.08 0.82 -1.07 0.00 0.00 179.97 180.09 3moe h ILE 250 N -0.86 1.23 0.00 2.04 1.08 -1.12 -3.07 117.51 116.82 3moe h ILE 250 Ca -0.02 -0.80 -0.08 0.00 -0.39 0.00 0.00 64.86 63.57 3moe h ILE 250 Cb 0.55 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 3moe h ILE 250 CO 0.03 0.28 -0.36 0.00 -0.69 0.00 0.00 178.15 177.40 3moe h ALA 251 N 0.93 1.25 -0.30 1.87 0.00 -0.68 -1.62 119.26 120.72 3moe h ALA 251 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3moe h ALA 251 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3moe h ALA 251 CO 0.00 0.45 -0.24 0.66 0.00 0.00 0.00 179.25 180.13 3moe h SER 252 N 0.00 0.58 -0.27 0.00 4.64 -0.60 0.32 113.55 118.23 3moe h SER 252 Ca -0.00 -0.20 -0.19 0.00 -0.47 0.00 0.00 61.79 60.93 3moe h SER 252 Cb 0.70 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3moe h SER 252 CO 0.05 0.81 -0.55 -0.09 -0.87 0.00 0.00 176.83 176.18 3moe h ARG 253 N 0.51 0.87 -0.26 4.77 2.43 -1.40 -1.43 114.38 119.86 3moe h ARG 253 Ca 0.07 -0.55 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 3moe h ARG 253 Cb 0.69 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3moe h ARG 253 CO 0.05 1.18 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.62 3moe h LEU 254 N 0.66 0.36 -0.68 3.80 3.38 -0.81 -2.12 115.31 119.91 3moe h LEU 254 Ca 0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3moe h LEU 254 Cb 1.15 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3moe h LEU 254 CO 0.12 0.44 0.14 0.00 0.09 0.00 0.00 178.44 179.23 3moe h ALA 255 N 1.61 0.90 -0.74 1.53 0.00 -0.18 0.58 119.26 122.96 3moe h ALA 255 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3moe h ALA 255 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3moe h ALA 255 CO 0.01 0.64 0.37 -0.22 0.00 0.00 0.00 179.25 180.04 3moe h LYS 256 N 1.03 1.06 0.00 0.00 1.63 -0.81 0.20 116.57 119.67 3moe h LYS 256 Ca 0.21 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3moe h LYS 256 Cb 0.40 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3moe h LYS 256 CO 0.01 0.82 -0.26 0.93 -3.45 0.00 0.00 179.45 177.50 3moe h GLU 257 N 1.03 0.00 -0.00 1.90 5.08 -0.70 -3.34 114.58 118.55 3moe h GLU 257 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3moe h GLU 257 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3moe h GLU 257 CO -0.03 0.00 -0.07 0.39 -1.00 0.00 0.00 179.01 178.30 3moe n GLU 258 N -2.25 1.60 -0.23 2.33 1.02 0.12 -5.02 120.64 118.21 3moe n GLU 258 Ca 0.04 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 3moe n GLU 258 Cb 0.44 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 3moe n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3moe n GLY 259 N 0.55 1.23 0.00 0.62 0.00 0.54 -5.02 105.19 103.10 3moe n GLY 259 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3moe n GLY 259 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3moe n TRP 260 N -1.89 0.00 -4.19 1.61 4.27 -0.31 -4.64 117.44 112.29 3moe n TRP 260 Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 3moe n TRP 260 Cb 0.03 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 29.84 3moe n TRP 260 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3moe s LEU 261 N 0.00 2.01 -0.15 5.67 1.43 0.22 -4.20 118.68 123.67 3moe s LEU 261 Ca 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3moe s LEU 261 Cb 0.00 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.95 3moe s LEU 261 CO 0.00 0.07 -0.11 0.00 0.23 0.00 0.00 176.35 176.54 3moe s ALA 262 N -0.15 1.68 0.03 4.21 0.00 -1.26 -0.44 121.76 125.83 3moe s ALA 262 Ca 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3moe s ALA 262 Cb -0.02 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 3moe s ALA 262 CO -0.00 -0.49 -0.05 -1.21 0.00 0.00 0.00 175.76 174.01 3moe s GLU 263 N 1.56 0.42 -1.33 0.00 0.41 -0.17 -4.67 118.70 114.92 3moe s GLU 263 Ca 0.04 -0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 53.79 3moe s GLU 263 Cb -0.13 -0.07 0.12 0.00 -1.78 0.00 0.00 34.13 32.26 3moe s GLU 263 CO -0.09 -0.01 1.92 1.58 -0.49 0.00 0.00 175.26 178.17 3moe n HIS 264 N 1.51 3.53 -4.39 1.61 -0.00 -1.26 -0.96 115.22 115.25 3moe n HIS 264 Ca -0.23 -2.92 -0.21 0.00 -0.00 0.00 0.00 57.72 54.36 3moe n HIS 264 Cb 0.55 -2.23 -0.16 0.00 -0.00 0.00 0.00 29.99 28.15 3moe n HIS 264 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3moe s MET 265 N 1.75 1.00 0.86 1.57 -1.94 -0.82 -4.13 119.30 117.59 3moe s MET 265 Ca 0.44 -0.30 -0.11 0.00 -1.71 0.00 0.00 55.69 54.00 3moe s MET 265 Cb 0.09 -0.93 0.11 0.00 2.01 0.00 0.00 34.83 36.11 3moe s MET 265 CO -0.02 0.10 1.09 -0.48 -0.01 0.00 0.00 175.02 175.70 3moe s LEU 266 N 0.26 2.42 -0.05 -0.03 0.05 -0.32 -2.46 118.68 118.55 3moe s LEU 266 Ca -0.04 1.50 0.01 0.00 0.05 0.00 0.00 54.13 55.65 3moe s LEU 266 Cb -0.09 -3.99 0.02 0.00 -2.05 0.00 0.00 46.19 40.08 3moe s LEU 266 CO 0.01 -2.44 -0.07 -0.63 -0.55 0.00 0.00 176.35 172.67 3moe s ILE 267 N -2.97 0.73 0.10 1.48 1.01 -0.39 -1.66 121.20 119.50 3moe s ILE 267 Ca 0.63 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.08 3moe s ILE 267 Cb -0.17 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3moe s ILE 267 CO 0.56 0.27 -0.09 -1.48 0.00 0.00 0.00 174.94 174.20 3moe s LEU 268 N 0.89 2.44 -0.13 2.97 0.05 -0.23 -0.99 118.68 123.67 3moe s LEU 268 Ca -0.11 -0.87 -0.02 0.00 0.05 0.00 0.00 54.13 53.18 3moe s LEU 268 Cb -0.15 -0.24 -0.02 0.00 -2.05 0.00 0.00 46.19 43.73 3moe s LEU 268 CO 0.01 -0.32 -0.07 -0.83 -0.55 0.00 0.00 176.35 174.59 3moe s GLY 269 N -2.63 1.67 -0.07 -3.48 0.00 0.12 -0.96 107.32 101.96 3moe s GLY 269 Ca 0.07 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.98 3moe s GLY 269 CO -0.01 -0.23 -0.19 -1.50 0.00 0.00 0.00 173.10 171.17 3moe s ILE 270 N 0.10 1.59 -0.05 0.90 2.07 0.32 -0.74 121.20 125.38 3moe s ILE 270 Ca -0.02 -0.77 0.05 0.00 -1.41 0.00 0.00 60.65 58.50 3moe s ILE 270 Cb -0.14 -1.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.05 3moe s ILE 270 CO 0.03 0.46 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.41 3moe s THR 271 N 0.30 2.40 0.53 4.00 2.01 0.08 -1.06 115.64 123.89 3moe s THR 271 Ca -0.12 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.02 3moe s THR 271 Cb -0.15 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.52 3moe s THR 271 CO 0.05 0.57 0.65 0.54 -0.69 0.00 0.00 174.62 175.75 3moe s ASN 272 N -0.37 5.14 0.00 3.53 4.22 -0.40 -1.32 114.94 125.73 3moe s ASN 272 Ca 0.03 -0.82 0.18 0.00 -2.14 0.00 0.00 52.86 50.12 3moe s ASN 272 Cb -0.12 0.05 0.85 0.00 1.28 0.00 0.00 41.25 43.31 3moe s ASN 272 CO 0.02 -1.13 1.57 -2.65 -2.04 0.00 0.00 177.10 172.87 3moe n PRO 273 N -2.03 0.13 -0.71 3.55 -0.02 -1.00 -1.93 135.00 132.99 3moe n PRO 273 Ca 0.11 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3moe n PRO 273 Cb 0.61 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.97 3moe n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3moe n GLU 274 N -1.40 4.11 -2.07 -0.52 -0.58 -1.26 -4.95 120.64 113.97 3moe n GLU 274 Ca 0.06 -2.91 -0.08 0.00 -0.42 0.00 0.00 57.16 53.81 3moe n GLU 274 Cb 0.18 -2.03 -0.01 0.00 -0.57 0.00 0.00 31.44 29.02 3moe n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3moe n GLY 275 N 0.95 0.12 3.72 0.62 0.00 -0.81 -5.03 105.19 104.76 3moe n GLY 275 Ca 0.26 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3moe n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3moe s LYS 276 N -4.25 3.04 -0.01 1.61 -0.14 -1.26 -4.91 119.74 113.82 3moe s LYS 276 Ca 0.00 -0.39 0.07 0.00 -1.36 0.00 0.00 55.97 54.29 3moe s LYS 276 Cb 0.00 -2.84 -0.02 0.00 -1.68 0.00 0.00 37.83 33.29 3moe s LYS 276 CO 0.00 0.70 -0.22 0.21 -0.76 0.00 0.00 175.35 175.28 3moe s LYS 277 N -1.03 1.75 0.03 1.68 2.20 -1.26 -1.28 119.74 121.83 3moe s LYS 277 Ca 0.15 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 3moe s LYS 277 Cb -0.11 -1.72 -0.02 0.00 -1.51 0.00 0.00 37.83 34.46 3moe s LYS 277 CO 0.04 0.47 -0.07 0.15 -0.36 0.00 0.00 175.35 175.58 3moe s LYS 278 N -0.64 0.51 -0.13 4.03 1.02 -0.23 -4.96 119.74 119.35 3moe s LYS 278 Ca 0.09 -0.60 -0.06 0.00 0.02 0.00 0.00 55.97 55.41 3moe s LYS 278 Cb -0.09 -0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 3moe s LYS 278 CO -0.00 0.07 0.10 0.71 -0.92 0.00 0.00 175.35 175.31 3moe s TYR 279 N -1.01 3.45 0.08 3.18 1.51 -1.25 -0.52 117.35 122.78 3moe s TYR 279 Ca -0.06 0.39 0.08 0.00 -1.01 0.00 0.00 57.07 56.47 3moe s TYR 279 Cb -0.08 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 3moe s TYR 279 CO 0.00 0.57 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.30 3moe s LEU 280 N -0.70 2.25 0.08 -1.29 1.43 -0.14 -1.08 118.68 119.23 3moe s LEU 280 Ca 0.13 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 3moe s LEU 280 Cb -0.12 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 3moe s LEU 280 CO 0.03 0.09 -0.22 0.00 0.23 0.00 0.00 176.35 176.47 3moe s ALA 281 N -1.03 2.48 -0.06 4.21 0.00 -0.43 -1.07 121.76 125.86 3moe s ALA 281 Ca 0.07 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 3moe s ALA 281 Cb -0.10 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.50 3moe s ALA 281 CO 0.03 0.56 0.14 0.00 0.00 0.00 0.00 175.76 176.49 3moe s ALA 282 N -0.98 -0.24 -0.39 0.00 0.00 -0.66 -0.41 121.76 119.08 3moe s ALA 282 Ca 0.15 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.66 3moe s ALA 282 Cb -0.10 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3moe s ALA 282 CO 0.06 -0.16 0.22 0.00 0.00 0.00 0.00 175.76 175.88 3moe s ALA 283 N 1.18 3.26 0.09 0.00 0.00 0.18 -1.17 121.76 125.30 3moe s ALA 283 Ca -0.09 -1.88 0.09 0.00 0.00 0.00 0.00 51.96 50.08 3moe s ALA 283 Cb -0.12 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3moe s ALA 283 CO -0.06 -1.48 -0.22 -0.06 0.00 0.00 0.00 175.76 173.94 3moe s PHE 284 N 1.49 1.92 0.97 0.00 0.08 -1.26 -2.65 117.98 118.53 3moe s PHE 284 Ca 0.02 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 3moe s PHE 284 Cb -0.21 -1.08 0.13 0.00 -0.57 0.00 0.00 43.02 41.29 3moe s PHE 284 CO 0.05 0.20 0.85 -2.30 -0.10 0.00 0.00 175.22 173.91 3moe n PRO 285 N 1.29 -0.69 -1.56 0.24 -0.02 -1.26 -4.86 135.00 128.14 3moe n PRO 285 Ca -0.18 -0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 60.74 3moe n PRO 285 Cb 0.53 -2.16 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 3moe n PRO 285 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3moe n SER 286 N -3.30 0.52 -0.90 2.55 2.88 -1.26 -1.85 113.62 112.26 3moe n SER 286 Ca 0.09 0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 58.48 3moe n SER 286 Cb 0.53 -1.28 -0.04 0.00 -0.75 0.00 0.00 64.21 62.67 3moe n SER 286 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3moe n ALA 287 N -0.79 -0.19 -1.26 -1.46 0.00 -1.26 -4.88 120.51 110.67 3moe n ALA 287 Ca 0.11 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.77 3moe n ALA 287 Cb 0.40 -1.32 0.09 0.00 0.00 0.00 0.00 19.45 18.62 3moe n ALA 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3moe n GLY 289 N -0.96 1.00 0.14 0.00 0.00 -1.26 -4.91 105.19 99.20 3moe n GLY 289 Ca 0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3moe n GLY 289 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3moe h LYS 290 N 0.00 0.39 -0.24 1.61 1.57 -1.88 -2.39 116.57 115.63 3moe h LYS 290 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3moe h LYS 290 Cb 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3moe h LYS 290 CO 0.00 0.30 -0.04 1.15 -0.57 0.00 0.00 179.45 180.29 3moe h THR 291 N 0.37 1.17 -0.54 -0.16 2.02 -1.95 0.20 112.91 114.01 3moe h THR 291 Ca 0.10 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 3moe h THR 291 Cb 0.01 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3moe h THR 291 CO -0.02 0.23 -0.05 0.78 0.37 0.00 0.00 175.52 176.83 3moe h ASN 292 N 0.35 0.95 -0.17 4.18 4.21 -1.81 -2.67 115.58 120.62 3moe h ASN 292 Ca 0.08 -0.28 -0.13 0.00 1.21 0.00 0.00 56.30 57.18 3moe h ASN 292 Cb 0.30 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3moe h ASN 292 CO 0.01 1.04 -0.41 0.25 -1.29 0.00 0.00 177.43 177.03 3moe h LEU 293 N 0.88 0.65 -2.14 1.61 5.85 -0.88 -2.62 115.31 118.65 3moe h LEU 293 Ca 0.15 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3moe h LEU 293 Cb 0.58 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3moe h LEU 293 CO 0.04 1.10 -0.07 0.00 -0.34 0.00 0.00 178.44 179.17 3moe h ALA 294 N 0.56 1.41 -0.19 1.25 0.00 -0.87 -2.01 119.26 119.42 3moe h ALA 294 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3moe h ALA 294 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3moe h ALA 294 CO 0.09 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 3moe n MET 295 N -3.77 2.48 -1.61 0.00 2.81 -1.02 -4.01 117.12 112.00 3moe n MET 295 Ca -0.02 -2.74 -0.40 0.00 -1.81 0.00 0.00 57.70 52.72 3moe n MET 295 Cb 0.17 -1.73 0.02 0.00 -0.71 0.00 0.00 33.22 30.97 3moe n MET 295 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 3moe n MET 296 N -0.74 1.23 -3.53 0.03 0.00 -0.76 -4.52 117.12 108.83 3moe n MET 296 Ca 0.19 0.45 -0.41 0.00 0.00 0.00 0.00 57.70 57.93 3moe n MET 296 Cb 0.81 -2.10 -0.09 0.00 0.00 0.00 0.00 33.22 31.85 3moe n MET 296 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3moe s ASN 297 N -0.89 5.77 0.47 6.12 2.47 -1.26 -4.52 114.94 123.10 3moe s ASN 297 Ca 0.67 -1.66 -0.23 0.00 0.42 0.00 0.00 52.86 52.06 3moe s ASN 297 Cb -0.50 -2.04 -0.07 0.00 -1.45 0.00 0.00 41.25 37.19 3moe s ASN 297 CO 0.54 -0.64 1.28 -2.16 -3.72 0.00 0.00 177.10 172.41 3moe s PRO 298 N 1.44 3.60 0.08 0.43 0.04 -1.26 -4.37 135.00 134.96 3moe s PRO 298 Ca 0.04 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.21 3moe s PRO 298 Cb -0.25 -2.46 -0.23 0.00 0.04 0.00 0.00 34.50 31.60 3moe s PRO 298 CO 0.02 -0.77 1.15 1.79 0.04 0.00 0.00 177.00 179.22 3moe h THR 299 N 1.91 1.54 -3.22 1.26 1.35 -1.86 -3.45 112.91 110.43 3moe h THR 299 Ca -0.50 -3.24 -0.53 0.00 -0.55 0.00 0.00 66.41 61.59 3moe h THR 299 Cb 1.27 2.80 0.02 0.00 -1.73 0.00 0.00 68.15 70.51 3moe h THR 299 CO 0.60 0.89 0.65 -0.76 -0.25 0.00 0.00 175.52 176.65 3moe s LEU 300 N -6.71 4.40 0.45 3.87 1.43 -1.26 -4.98 118.68 115.88 3moe s LEU 300 Ca -0.01 2.30 -0.24 0.00 -1.03 0.00 0.00 54.13 55.14 3moe s LEU 300 Cb 0.09 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 3moe s LEU 300 CO 0.83 -0.55 1.32 -2.16 0.23 0.00 0.00 176.35 176.02 3moe s PRO 301 N 0.50 3.70 0.00 1.29 0.04 -1.26 -3.02 135.00 136.25 3moe s PRO 301 Ca 0.59 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.80 3moe s PRO 301 Cb -0.35 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3moe s PRO 301 CO 0.34 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.07 3moe n GLY 302 N 0.63 0.93 3.78 0.56 0.00 -1.26 -4.86 105.19 104.97 3moe n GLY 302 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3moe n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3moe s TRP 303 N -3.71 3.28 -0.02 1.61 0.52 -1.17 -2.37 118.94 117.09 3moe s TRP 303 Ca 0.00 0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.35 3moe s TRP 303 Cb 0.00 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.58 3moe s TRP 303 CO 0.00 0.55 -0.09 0.21 0.02 0.00 0.00 176.95 177.64 3moe s LYS 304 N -1.70 0.89 -0.06 4.98 2.20 -0.43 -4.79 119.74 120.82 3moe s LYS 304 Ca 0.22 -0.31 0.04 0.00 -0.36 0.00 0.00 55.97 55.56 3moe s LYS 304 Cb -0.12 -0.84 -0.02 0.00 -1.51 0.00 0.00 37.83 35.34 3moe s LYS 304 CO 0.13 0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 175.16 3moe s VAL 305 N 0.06 2.64 0.09 4.02 1.01 -1.26 -0.74 120.40 126.22 3moe s VAL 305 Ca -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3moe s VAL 305 Cb -0.07 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3moe s VAL 305 CO 0.00 0.57 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 3moe s GLU 306 N -0.38 1.21 -0.25 2.72 2.02 0.08 -4.89 118.70 119.21 3moe s GLU 306 Ca 0.03 -1.13 -0.09 0.00 0.02 0.00 0.00 54.97 53.80 3moe s GLU 306 Cb -0.12 -1.46 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 3moe s GLU 306 CO 0.02 0.35 0.12 0.00 0.02 0.00 0.00 175.26 175.77 3moe n VAL 308 N 4.72 1.62 -3.72 0.00 0.31 -0.16 -0.42 118.33 120.68 3moe n VAL 308 Ca -0.15 -0.40 -0.09 0.00 -0.01 0.00 0.00 64.34 63.69 3moe n VAL 308 Cb 0.52 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 3moe n VAL 308 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3moe s GLY 309 N -5.48 -0.17 0.00 2.92 0.00 -0.86 -4.74 107.32 98.99 3moe s GLY 309 Ca -0.29 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.35 3moe s GLY 309 CO 0.64 -0.15 0.75 2.09 0.00 0.00 0.00 173.10 176.43 3moe n ASP 310 N -0.38 1.62 0.00 1.64 5.75 -1.26 -1.27 116.55 122.65 3moe n ASP 310 Ca -0.09 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 3moe n ASP 310 Cb 0.62 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 3moe n ASP 310 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3moe n ASP 311 N 0.22 0.00 -4.09 -1.12 2.03 -1.25 -4.24 116.55 108.11 3moe n ASP 311 Ca 0.03 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.10 3moe n ASP 311 Cb 0.17 0.03 -0.16 0.00 -0.72 0.00 0.00 41.12 40.43 3moe n ASP 311 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3moe s ILE 312 N -1.12 1.26 -0.01 5.18 -1.09 -1.03 -1.94 121.20 122.45 3moe s ILE 312 Ca 0.00 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 3moe s ILE 312 Cb 0.00 -1.10 -0.01 0.00 -1.58 0.00 0.00 42.46 39.77 3moe s ILE 312 CO 0.00 0.37 -0.16 0.00 -1.23 0.00 0.00 174.94 173.92 3moe s ALA 313 N 0.23 1.31 -0.16 9.38 0.00 -0.14 -4.19 121.76 128.18 3moe s ALA 313 Ca -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 3moe s ALA 313 Cb -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3moe s ALA 313 CO 0.02 0.31 -0.10 -1.58 0.00 0.00 0.00 175.76 174.42 3moe s TRP 314 N -0.41 2.87 0.02 0.00 0.51 -0.34 -1.00 118.94 120.59 3moe s TRP 314 Ca 0.06 -0.77 0.02 0.00 -2.12 0.00 0.00 56.10 53.29 3moe s TRP 314 Cb -0.06 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.65 3moe s TRP 314 CO -0.00 -0.34 -0.08 -1.64 -0.51 0.00 0.00 176.95 174.38 3moe s MET 315 N 0.74 0.56 -0.18 4.98 -1.94 0.42 -0.51 119.30 123.37 3moe s MET 315 Ca -0.04 -0.52 -0.16 0.00 -1.71 0.00 0.00 55.69 53.26 3moe s MET 315 Cb -0.15 -0.45 0.05 0.00 2.01 0.00 0.00 34.83 36.28 3moe s MET 315 CO 0.02 0.11 0.47 0.21 -0.01 0.00 0.00 175.02 175.82 3moe s LYS 316 N -0.90 0.54 0.27 2.03 2.20 -0.03 -0.61 119.74 123.24 3moe s LYS 316 Ca -0.03 0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 3moe s LYS 316 Cb -0.06 0.24 -0.10 0.00 -1.51 0.00 0.00 37.83 36.40 3moe s LYS 316 CO 0.00 -0.07 1.40 -0.06 -0.36 0.00 0.00 175.35 176.26 3moe s PHE 317 N 0.36 3.03 0.59 4.03 0.08 -1.26 -1.54 117.98 123.27 3moe s PHE 317 Ca -0.01 1.13 -0.04 0.00 0.12 0.00 0.00 56.93 58.13 3moe s PHE 317 Cb -0.04 -3.78 0.12 0.00 -0.57 0.00 0.00 43.02 38.76 3moe s PHE 317 CO -0.01 -2.43 0.80 -0.40 -0.10 0.00 0.00 175.22 173.09 3moe n ASP 318 N 1.97 0.67 0.22 1.36 5.68 -0.53 -4.93 116.55 120.98 3moe n ASP 318 Ca 0.05 -1.66 0.16 0.00 -0.50 0.00 0.00 54.79 52.83 3moe n ASP 318 Cb 0.41 -0.56 0.69 0.00 -1.14 0.00 0.00 41.12 40.52 3moe n ASP 318 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3moe h ALA 319 N -1.00 1.00 -0.01 2.12 0.00 -1.95 -1.49 119.26 117.93 3moe h ALA 319 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3moe h ALA 319 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3moe h ALA 319 CO 0.24 0.00 -0.35 1.04 0.00 0.00 0.00 179.25 180.19 3moe n GLN 320 N -2.70 0.75 -0.45 0.00 1.13 -1.26 -4.95 117.38 109.90 3moe n GLN 320 Ca 0.00 -0.48 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 3moe n GLN 320 Cb 0.21 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.07 3moe n GLN 320 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3moe n GLY 321 N 1.38 0.74 3.78 1.08 0.00 -0.56 -4.84 105.19 106.77 3moe n GLY 321 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3moe n GLY 321 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3moe s ASN 322 N -2.63 7.41 -0.52 1.61 -0.87 -1.26 -0.32 114.94 118.35 3moe s ASN 322 Ca 0.00 1.72 -0.26 0.00 -1.57 0.00 0.00 52.86 52.75 3moe s ASN 322 Cb 0.00 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.74 3moe s ASN 322 CO 0.00 0.14 1.00 -0.22 -2.57 0.00 0.00 177.10 175.45 3moe s LEU 323 N -1.38 3.90 -0.14 0.60 2.96 -1.26 -1.46 118.68 121.90 3moe s LEU 323 Ca 0.40 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.20 3moe s LEU 323 Cb -0.22 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 3moe s LEU 323 CO 0.27 -1.22 0.11 -0.13 -1.32 0.00 0.00 176.35 174.05 3moe s ARG 324 N 4.13 3.59 -0.00 1.98 0.52 -0.59 -0.36 118.95 128.22 3moe s ARG 324 Ca 0.37 -0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.44 3moe s ARG 324 Cb -0.10 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 3moe s ARG 324 CO 0.24 0.62 -0.22 0.00 0.02 0.00 0.00 175.30 175.96 3moe s ALA 325 N -0.58 1.85 0.18 2.13 0.00 0.33 -0.85 121.76 124.83 3moe s ALA 325 Ca 0.12 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.19 3moe s ALA 325 Cb -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3moe s ALA 325 CO 0.02 0.45 -0.21 0.96 0.00 0.00 0.00 175.76 176.98 3moe s ILE 326 N -0.59 2.10 -0.30 0.00 -4.36 0.33 -0.78 121.20 117.61 3moe s ILE 326 Ca 0.09 -1.98 -0.23 0.00 -0.26 0.00 0.00 60.65 58.27 3moe s ILE 326 Cb -0.09 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.63 3moe s ILE 326 CO -0.00 -0.21 0.75 0.21 0.24 0.00 0.00 174.94 175.93 3moe s ASN 327 N -2.68 6.64 0.00 4.36 2.47 -1.26 -1.20 114.94 123.28 3moe s ASN 327 Ca 0.18 0.65 0.29 0.00 0.42 0.00 0.00 52.86 54.40 3moe s ASN 327 Cb -0.07 -2.39 1.18 0.00 -1.45 0.00 0.00 41.25 38.52 3moe s ASN 327 CO 0.08 -0.57 1.88 -0.81 -3.72 0.00 0.00 177.10 173.97 3moe n PRO 328 N 6.10 0.04 -2.38 0.43 -0.04 -1.26 -4.48 135.00 133.41 3moe n PRO 328 Ca 0.03 -0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.23 3moe n PRO 328 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 3moe n PRO 328 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3moe s GLU 329 N -2.96 2.68 0.00 0.54 2.02 -1.26 -0.51 118.70 119.21 3moe s GLU 329 Ca 0.15 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.98 3moe s GLU 329 Cb 0.19 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 32.16 3moe s GLU 329 CO 0.54 -0.84 0.66 -1.71 0.02 0.00 0.00 175.26 173.93 3moe n ASN 330 N -2.64 1.34 -2.38 -0.19 5.15 -0.16 -4.78 115.26 111.60 3moe n ASN 330 Ca 0.06 -1.31 -0.07 0.00 -0.60 0.00 0.00 54.58 52.65 3moe n ASN 330 Cb 0.59 -0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.85 3moe n ASN 330 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3moe n GLY 331 N -0.11 1.36 3.29 8.20 0.00 -1.17 -1.62 105.19 115.13 3moe n GLY 331 Ca 0.00 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 3moe n GLY 331 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3moe s PHE 332 N -3.77 2.76 -0.95 1.61 0.08 -0.01 -4.76 117.98 112.95 3moe s PHE 332 Ca 0.13 -0.93 -0.02 0.00 0.12 0.00 0.00 56.93 56.24 3moe s PHE 332 Cb -0.03 -1.85 0.28 0.00 -0.57 0.00 0.00 43.02 40.84 3moe s PHE 332 CO 0.10 -0.39 1.14 0.34 -0.10 0.00 0.00 175.22 176.31 3moe n PHE 333 N 3.85 3.29 -3.71 0.36 7.35 -1.26 -1.43 117.46 125.90 3moe n PHE 333 Ca -0.19 -3.39 -0.34 0.00 -0.76 0.00 0.00 57.45 52.78 3moe n PHE 333 Cb 0.52 -1.12 -0.05 0.00 0.35 0.00 0.00 39.48 39.18 3moe n PHE 333 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3moe s GLY 334 N -1.30 2.27 0.21 7.13 0.00 -0.22 -4.85 107.32 110.56 3moe s GLY 334 Ca 0.32 -0.54 -0.32 0.00 0.00 0.00 0.00 44.72 44.19 3moe s GLY 334 CO 0.02 -0.36 1.68 0.14 0.00 0.00 0.00 173.10 174.57 3moe s VAL 335 N -1.38 2.14 -0.17 1.40 1.01 -1.26 -0.75 120.40 121.39 3moe s VAL 335 Ca 0.31 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 3moe s VAL 335 Cb -0.13 -3.07 -0.21 0.00 0.00 0.00 0.00 36.38 32.97 3moe s VAL 335 CO 0.18 0.01 0.44 0.00 0.00 0.00 0.00 175.10 175.73 3moe h ALA 336 N 6.57 0.14 -2.65 5.51 0.00 -1.25 -3.44 119.26 124.14 3moe h ALA 336 Ca -0.43 -0.86 -0.57 0.00 0.00 0.00 0.00 54.91 53.04 3moe h ALA 336 Cb 1.20 0.40 0.14 0.00 0.00 0.00 0.00 17.79 19.54 3moe h ALA 336 CO 0.93 0.38 0.23 -2.30 0.00 0.00 0.00 179.25 178.49 3moe n PRO 337 N -4.52 1.33 -0.02 0.00 -0.02 -1.26 -1.32 135.00 129.19 3moe n PRO 337 Ca -0.21 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3moe n PRO 337 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3moe n PRO 337 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3moe n GLY 338 N 1.13 2.56 3.67 -1.23 0.00 0.35 -5.00 105.19 106.66 3moe n GLY 338 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3moe n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3moe s THR 339 N -2.88 4.76 0.32 2.61 2.01 -0.44 -4.70 115.64 117.32 3moe s THR 339 Ca 0.00 1.91 -0.06 0.00 0.31 0.00 0.00 61.69 63.85 3moe s THR 339 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.26 3moe s THR 339 CO 0.00 -0.09 0.49 -0.94 -0.69 0.00 0.00 174.62 173.39 3moe s SER 340 N 1.19 0.58 0.50 3.53 1.04 -1.26 -4.13 113.70 115.14 3moe s SER 340 Ca 0.43 -1.33 0.24 0.00 0.48 0.00 0.00 55.95 55.77 3moe s SER 340 Cb -0.16 0.65 1.34 0.00 0.10 0.00 0.00 66.02 67.95 3moe s SER 340 CO 0.10 -1.28 2.06 0.58 0.98 0.00 0.00 173.24 175.67 3moe h VAL 341 N 2.15 0.73 -0.10 5.02 2.07 -1.84 0.11 116.25 124.40 3moe h VAL 341 Ca -0.28 -0.54 -0.21 0.00 0.82 0.00 0.00 66.70 66.49 3moe h VAL 341 Cb 1.24 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3moe h VAL 341 CO 0.39 0.13 -0.78 0.11 0.02 0.00 0.00 177.57 177.44 3moe h LYS 342 N 0.00 0.59 0.00 1.57 1.57 -1.95 -3.30 116.57 115.05 3moe h LYS 342 Ca -0.00 -0.50 -0.07 0.00 -1.87 0.00 0.00 60.65 58.20 3moe h LYS 342 Cb 0.32 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3moe h LYS 342 CO 0.02 1.12 -2.04 0.25 -0.57 0.00 0.00 179.45 178.23 3moe n THR 343 N -3.87 0.31 -2.71 -0.16 -2.24 -0.90 -4.66 114.28 100.04 3moe n THR 343 Ca -0.06 -0.57 -0.07 0.00 -2.27 0.00 0.00 64.05 61.08 3moe n THR 343 Cb 0.74 -0.11 0.08 0.00 -2.10 0.00 0.00 70.33 68.94 3moe n THR 343 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3moe n ASN 344 N -2.38 -2.04 0.23 3.42 2.85 0.34 -4.82 115.26 112.86 3moe n ASN 344 Ca -0.10 -2.79 0.06 0.00 -0.11 0.00 0.00 54.58 51.64 3moe n ASN 344 Cb 0.69 1.49 0.56 0.00 1.24 0.00 0.00 39.78 43.75 3moe n ASN 344 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3moe h PRO 345 N 3.12 0.02 0.00 1.20 0.13 -1.62 -2.05 132.00 132.80 3moe h PRO 345 Ca -0.19 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.83 3moe h PRO 345 Cb 1.13 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3moe h PRO 345 CO 0.09 0.11 -0.53 -0.91 -0.23 0.00 0.00 178.00 176.53 3moe h ASN 346 N 0.02 0.00 -0.36 1.44 2.35 -1.91 -2.28 115.58 114.84 3moe h ASN 346 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 3moe h ASN 346 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3moe h ASN 346 CO 0.01 0.53 -0.08 0.00 -1.65 0.00 0.00 177.43 176.25 3moe h ALA 347 N 1.47 0.49 -0.93 -0.83 0.00 -1.70 -2.48 119.26 115.28 3moe h ALA 347 Ca -0.01 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.75 3moe h ALA 347 Cb 1.02 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 3moe h ALA 347 CO 0.07 0.34 0.54 0.82 0.00 0.00 0.00 179.25 181.01 3moe h ILE 348 N 0.48 0.78 -0.65 0.00 1.08 -1.08 -1.60 117.51 116.52 3moe h ILE 348 Ca 0.09 -0.26 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 3moe h ILE 348 Cb 0.59 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 3moe h ILE 348 CO 0.03 0.14 0.25 0.11 -0.69 0.00 0.00 178.15 177.99 3moe h LYS 349 N 0.77 0.98 0.00 2.37 1.57 -1.23 -3.30 116.57 117.73 3moe h LYS 349 Ca 0.50 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3moe h LYS 349 Cb 0.66 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3moe h LYS 349 CO -0.34 0.83 -0.74 0.00 -0.57 0.00 0.00 179.45 178.64 3moe h THR 350 N 0.92 0.00 -0.33 -0.16 1.03 -0.85 -3.33 112.91 110.20 3moe h THR 350 Ca 0.22 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 3moe h THR 350 Cb 0.23 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 3moe h THR 350 CO -0.02 0.00 0.00 2.30 -0.01 0.00 0.00 175.52 177.79 3moe n ILE 351 N -2.39 0.88 -0.48 0.00 -5.35 -0.86 -3.81 119.36 107.35 3moe n ILE 351 Ca 0.02 -0.58 0.10 0.00 -0.27 0.00 0.00 62.75 62.02 3moe n ILE 351 Cb 0.49 -0.03 0.33 0.00 -1.74 0.00 0.00 39.64 38.68 3moe n ILE 351 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3moe n GLN 352 N 0.46 3.18 -3.80 6.28 6.02 -1.25 -4.68 117.38 123.59 3moe n GLN 352 Ca 0.13 -2.73 -0.12 0.00 -0.01 0.00 0.00 57.00 54.27 3moe n GLN 352 Cb 0.49 -1.69 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 3moe n GLN 352 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3moe s LYS 353 N -1.39 0.47 -1.67 -1.09 -2.85 -1.25 -2.73 119.74 109.23 3moe s LYS 353 Ca 0.48 -0.04 -0.02 0.00 -1.00 0.00 0.00 55.97 55.38 3moe s LYS 353 Cb 0.28 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3moe s LYS 353 CO 0.28 -0.10 0.32 0.09 0.10 0.00 0.00 175.35 176.04 3moe n ASN 354 N 1.98 -6.06 -4.26 0.03 3.02 -0.14 -4.81 115.26 105.02 3moe n ASN 354 Ca -0.18 -0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 53.92 3moe n ASN 354 Cb 0.57 -4.96 -0.16 0.00 -0.61 0.00 0.00 39.78 34.62 3moe n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3moe s THR 355 N -3.12 1.82 -0.17 3.41 2.01 -1.18 -4.43 115.64 113.98 3moe s THR 355 Ca 0.16 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 3moe s THR 355 Cb -0.07 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 3moe s THR 355 CO 0.20 0.50 0.01 -0.63 -0.69 0.00 0.00 174.62 174.01 3moe s ILE 356 N -0.55 4.26 -0.00 1.82 1.01 -0.61 -1.44 121.20 125.69 3moe s ILE 356 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.53 3moe s ILE 356 Cb -0.09 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3moe s ILE 356 CO -0.01 0.47 0.02 -0.36 0.00 0.00 0.00 174.94 175.07 3moe s PHE 357 N 0.45 3.13 -0.10 3.97 0.08 0.61 -0.32 117.98 125.81 3moe s PHE 357 Ca -0.01 0.11 -0.00 0.00 0.12 0.00 0.00 56.93 57.15 3moe s PHE 357 Cb -0.14 -1.69 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 3moe s PHE 357 CO 0.02 0.49 -0.06 0.99 -0.10 0.00 0.00 175.22 176.56 3moe s THR 358 N -1.12 0.83 -0.97 0.64 2.01 0.01 -0.75 115.64 116.29 3moe s THR 358 Ca 0.21 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3moe s THR 358 Cb -0.12 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3moe s THR 358 CO 0.11 0.33 0.00 0.59 -0.69 0.00 0.00 174.62 174.96 3moe n ASN 359 N 4.88 -3.95 -4.86 3.53 3.02 0.10 -1.75 115.26 116.23 3moe n ASN 359 Ca -0.12 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 3moe n ASN 359 Cb 0.50 -2.49 0.07 0.00 -0.61 0.00 0.00 39.78 37.24 3moe n ASN 359 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3moe s VAL 360 N -2.38 2.43 0.45 2.41 -7.23 -1.26 -1.60 120.40 113.21 3moe s VAL 360 Ca 0.00 -0.62 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 3moe s VAL 360 Cb 0.00 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 3moe s VAL 360 CO 0.00 0.00 0.82 0.00 -0.31 0.00 0.00 175.10 175.61 3moe s ALA 361 N -2.93 3.29 -0.07 1.32 0.00 -0.63 -4.08 121.76 118.66 3moe s ALA 361 Ca 0.61 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.43 3moe s ALA 361 Cb -0.08 -2.78 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 3moe s ALA 361 CO 0.41 -0.14 -0.20 -2.00 0.00 0.00 0.00 175.76 173.83 3moe s GLU 362 N -4.10 2.75 0.36 0.00 2.12 -0.37 -0.85 118.70 118.62 3moe s GLU 362 Ca 0.52 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 3moe s GLU 362 Cb -0.10 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 3moe s GLU 362 CO 0.35 0.38 0.61 0.95 -0.54 0.00 0.00 175.26 177.01 3moe s THR 363 N -0.14 5.02 -0.13 -1.70 -4.23 -0.03 -0.60 115.64 113.84 3moe s THR 363 Ca -0.03 -0.11 0.29 0.00 -1.18 0.00 0.00 61.69 60.66 3moe s THR 363 Cb -0.14 -3.82 0.32 0.00 1.34 0.00 0.00 72.50 70.20 3moe s THR 363 CO 0.04 -0.55 1.87 0.77 -0.54 0.00 0.00 174.62 176.21 3moe h SER 364 N 0.95 0.00 -0.58 3.99 4.64 -1.09 0.13 113.55 121.59 3moe h SER 364 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3moe h SER 364 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3moe h SER 364 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3moe n ASP 365 N -2.63 4.87 0.00 4.97 3.85 -1.26 -4.94 116.55 121.42 3moe n ASP 365 Ca 0.01 -2.60 0.00 0.00 -0.71 0.00 0.00 54.79 51.48 3moe n ASP 365 Cb 0.22 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 3moe n ASP 365 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3moe n GLY 366 N 0.88 0.59 0.00 6.12 0.00 0.44 -3.75 105.19 109.47 3moe n GLY 366 Ca 0.25 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3moe n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3moe n GLY 367 N -1.97 3.26 3.56 -0.02 0.00 -1.24 -1.49 105.19 107.30 3moe n GLY 367 Ca 0.00 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 3moe n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3moe s VAL 368 N 0.23 3.18 0.06 1.61 -7.23 -1.26 -0.85 120.40 116.14 3moe s VAL 368 Ca 0.00 -1.59 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 3moe s VAL 368 Cb 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3moe s VAL 368 CO 0.00 -0.06 0.20 -0.47 -0.31 0.00 0.00 175.10 174.47 3moe s TYR 369 N -1.58 0.08 0.08 2.82 5.04 -0.03 -4.78 117.35 118.98 3moe s TYR 369 Ca 0.24 -0.39 -0.26 0.00 -2.44 0.00 0.00 57.07 54.22 3moe s TYR 369 Cb -0.09 -0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.27 3moe s TYR 369 CO 0.14 -0.49 0.82 1.67 -1.34 0.00 0.00 175.55 176.36 3moe s TRP 370 N -3.15 -0.34 0.38 4.97 -2.14 -1.26 -1.60 118.94 115.79 3moe s TRP 370 Ca -0.01 0.14 -0.27 0.00 2.66 0.00 0.00 56.10 58.63 3moe s TRP 370 Cb 0.02 0.57 -0.11 0.00 -3.10 0.00 0.00 33.47 30.85 3moe s TRP 370 CO -0.07 -0.71 1.28 0.39 -2.66 0.00 0.00 176.95 175.19 3moe n GLU 371 N -0.33 2.06 -0.97 3.25 4.71 -1.26 -2.00 120.64 126.10 3moe n GLU 371 Ca -0.10 0.73 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3moe n GLU 371 Cb 0.62 -2.36 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 3moe n GLU 371 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3moe n GLY 372 N 0.78 0.74 0.22 0.62 0.00 -1.26 -0.49 105.19 105.80 3moe n GLY 372 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 3moe n GLY 372 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3moe h ILE 373 N 0.00 1.19 -5.22 -0.61 2.10 -1.56 -3.39 117.51 110.03 3moe h ILE 373 Ca 0.00 -0.89 -0.41 0.00 1.08 0.00 0.00 64.86 64.64 3moe h ILE 373 Cb 0.04 1.35 0.07 0.00 -1.09 0.00 0.00 36.82 37.18 3moe h ILE 373 CO 0.00 0.27 -0.65 -0.67 -1.08 0.00 0.00 178.15 176.02 3moe n ASP 374 N -4.23 -5.96 -3.64 2.19 -0.08 -1.26 -4.53 116.55 99.03 3moe n ASP 374 Ca -0.01 -0.43 -0.25 0.00 -1.51 0.00 0.00 54.79 52.58 3moe n ASP 374 Cb 0.30 -4.76 -0.17 0.00 2.34 0.00 0.00 41.12 38.83 3moe n ASP 374 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3moe s GLU 375 N -6.04 0.13 0.80 -0.67 2.12 -1.26 -4.91 118.70 108.88 3moe s GLU 375 Ca 0.45 -0.04 -0.11 0.00 0.36 0.00 0.00 54.97 55.63 3moe s GLU 375 Cb -0.20 -1.62 0.07 0.00 0.26 0.00 0.00 34.13 32.64 3moe s GLU 375 CO 0.56 -0.60 1.09 -1.25 -0.54 0.00 0.00 175.26 174.52 3moe s PRO 376 N 2.10 2.02 0.12 4.30 0.04 -1.26 -5.04 135.00 137.28 3moe s PRO 376 Ca 0.02 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.05 3moe s PRO 376 Cb -0.15 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3moe s PRO 376 CO -0.08 -1.75 0.22 -0.51 0.04 0.00 0.00 177.00 174.92 3moe s LEU 377 N -5.94 4.21 0.61 -3.56 1.43 -1.26 -5.08 118.68 109.09 3moe s LEU 377 Ca 0.61 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.66 3moe s LEU 377 Cb -0.17 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 3moe s LEU 377 CO 0.56 0.10 1.22 0.00 0.23 0.00 0.00 176.35 178.46 3moe s ALA 378 N -1.64 2.49 0.23 4.21 0.00 -1.26 -4.90 121.76 120.89 3moe s ALA 378 Ca 0.34 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.03 3moe s ALA 378 Cb -0.12 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.39 3moe s ALA 378 CO 0.27 -1.28 1.16 -2.30 0.00 0.00 0.00 175.76 173.61 3moe n PRO 379 N -1.71 1.40 0.00 0.00 -0.02 -1.26 -1.68 135.00 131.72 3moe n PRO 379 Ca 0.14 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3moe n PRO 379 Cb 0.49 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3moe n PRO 379 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3moe n GLY 380 N 1.75 2.65 3.73 -1.23 0.00 -1.26 -5.08 105.19 105.75 3moe n GLY 380 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3moe n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3moe s VAL 381 N -2.72 4.52 0.44 1.61 1.01 -0.68 -5.01 120.40 119.57 3moe s VAL 381 Ca 0.00 2.06 0.07 0.00 0.00 0.00 0.00 61.98 64.11 3moe s VAL 381 Cb 0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3moe s VAL 381 CO 0.00 0.30 0.24 0.42 0.00 0.00 0.00 175.10 176.06 3moe s THR 382 N 0.08 2.23 -0.08 3.92 -4.23 -1.26 -4.92 115.64 111.38 3moe s THR 382 Ca 0.47 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 3moe s THR 382 Cb -0.23 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3moe s THR 382 CO 0.30 0.00 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.54 3moe s ILE 383 N -2.61 1.75 -0.26 2.99 1.01 -1.26 -0.45 121.20 122.37 3moe s ILE 383 Ca 0.40 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3moe s ILE 383 Cb 0.02 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3moe s ILE 383 CO 0.22 0.49 0.13 -0.89 0.00 0.00 0.00 174.94 174.90 3moe s THR 384 N 0.29 4.83 1.09 2.92 2.01 0.23 -0.98 115.64 126.03 3moe s THR 384 Ca -0.13 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 3moe s THR 384 Cb -0.16 -3.28 0.24 0.00 0.01 0.00 0.00 72.50 69.31 3moe s THR 384 CO 0.06 0.30 1.08 -0.94 -0.69 0.00 0.00 174.62 174.43 3moe s SER 385 N 1.62 1.81 0.09 3.53 1.04 0.36 -1.24 113.70 120.91 3moe s SER 385 Ca 0.07 1.08 0.13 0.00 0.48 0.00 0.00 55.95 57.70 3moe s SER 385 Cb -0.15 -1.67 0.57 0.00 0.10 0.00 0.00 66.02 64.87 3moe s SER 385 CO 0.07 -3.63 1.39 -2.67 0.98 0.00 0.00 173.24 169.39 3moe n TRP 386 N -4.49 0.24 0.77 5.02 4.27 0.12 -1.06 117.44 122.32 3moe n TRP 386 Ca 0.07 0.11 0.06 0.00 -3.89 0.00 0.00 57.50 53.85 3moe n TRP 386 Cb 0.58 -0.67 0.18 0.00 -1.36 0.00 0.00 31.31 30.03 3moe n TRP 386 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 3moe n LYS 387 N -1.73 1.90 -3.16 -2.67 5.02 -1.26 -4.68 118.16 111.57 3moe n LYS 387 Ca 0.02 -1.39 -0.18 0.00 -2.02 0.00 0.00 58.31 54.73 3moe n LYS 387 Cb 0.11 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 3moe n LYS 387 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3moe n ASN 388 N 0.63 -5.24 -4.21 4.39 5.15 -0.22 -5.03 115.26 110.73 3moe n ASN 388 Ca 0.13 -0.34 -0.23 0.00 -0.60 0.00 0.00 54.58 53.54 3moe n ASN 388 Cb 0.33 -3.93 -0.14 0.00 -0.53 0.00 0.00 39.78 35.51 3moe n ASN 388 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3moe s LYS 389 N -5.79 1.18 0.30 1.20 1.02 -1.25 -4.92 119.74 111.48 3moe s LYS 389 Ca 0.37 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 55.18 3moe s LYS 389 Cb -0.16 -1.27 -0.13 0.00 -0.52 0.00 0.00 37.83 35.74 3moe s LYS 389 CO 0.46 0.32 1.11 -1.91 -0.92 0.00 0.00 175.35 174.41 3moe n GLU 390 N 1.78 1.61 -4.12 1.68 2.13 -1.26 -0.48 120.64 121.97 3moe n GLU 390 Ca -0.18 0.56 -0.15 0.00 0.66 0.00 0.00 57.16 58.06 3moe n GLU 390 Cb 0.54 -2.01 -0.14 0.00 0.27 0.00 0.00 31.44 30.10 3moe n GLU 390 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3moe s TRP 391 N -1.02 0.45 0.08 4.31 -0.00 -0.15 -4.74 118.94 117.87 3moe s TRP 391 Ca 0.58 -0.15 0.01 0.00 -0.00 0.00 0.00 56.10 56.55 3moe s TRP 391 Cb -0.66 -0.29 -0.04 0.00 -0.00 0.00 0.00 33.47 32.48 3moe s TRP 391 CO 0.60 -0.02 -0.06 1.03 -0.00 0.00 0.00 176.95 178.50 3moe s ARG 392 N -0.35 0.73 0.57 5.86 0.52 -1.26 -4.25 118.95 120.77 3moe s ARG 392 Ca -0.00 -1.18 0.34 0.00 -0.52 0.00 0.00 55.73 54.37 3moe s ARG 392 Cb -0.03 -0.16 1.44 0.00 0.52 0.00 0.00 34.95 36.72 3moe s ARG 392 CO -0.00 -0.02 1.71 -1.35 0.02 0.00 0.00 175.30 175.67 3moe h PRO 393 N 3.35 0.00 0.00 3.54 0.11 -2.01 -0.95 132.00 136.04 3moe h PRO 393 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3moe h PRO 393 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3moe h PRO 393 CO 0.59 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.34 3moe h GLN 394 N 0.00 0.00 -6.83 1.05 4.20 -1.97 -3.41 115.11 108.16 3moe h GLN 394 Ca 0.50 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.65 3moe h GLN 394 Cb 2.26 0.00 0.11 0.00 0.30 0.00 0.00 27.48 30.15 3moe h GLN 394 CO -0.01 0.00 0.59 -0.25 -0.67 0.00 0.00 178.83 178.50 3moe n ASP 395 N -3.05 3.05 0.04 1.46 9.92 -0.36 -4.91 116.55 122.70 3moe n ASP 395 Ca 0.03 1.19 0.13 0.00 -0.53 0.00 0.00 54.79 55.61 3moe n ASP 395 Cb 0.44 -1.53 0.32 0.00 -0.64 0.00 0.00 41.12 39.71 3moe n ASP 395 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3moe n GLU 396 N 0.40 0.14 -3.24 -1.24 4.71 -1.26 -4.92 120.64 115.23 3moe n GLU 396 Ca 0.04 0.06 -0.22 0.00 -0.01 0.00 0.00 57.16 57.02 3moe n GLU 396 Cb 0.38 -1.61 -0.00 0.00 -1.01 0.00 0.00 31.44 29.20 3moe n GLU 396 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 3moe s GLU 397 N -3.07 3.22 0.53 3.49 -1.05 -1.26 -5.03 118.70 115.53 3moe s GLU 397 Ca 0.10 -0.54 -0.17 0.00 -0.15 0.00 0.00 54.97 54.21 3moe s GLU 397 Cb 0.16 -2.65 -0.07 0.00 -0.44 0.00 0.00 34.13 31.13 3moe s GLU 397 CO 0.66 -0.05 1.01 -1.25 0.95 0.00 0.00 175.26 176.57 3moe s PRO 398 N -4.39 3.78 0.37 -4.83 0.04 -1.26 -4.93 135.00 123.78 3moe s PRO 398 Ca 0.44 1.05 0.19 0.00 0.04 0.00 0.00 61.00 62.73 3moe s PRO 398 Cb -0.10 -2.11 0.57 0.00 0.04 0.00 0.00 34.50 32.91 3moe s PRO 398 CO 0.36 -0.42 1.68 0.00 0.04 0.00 0.00 177.00 178.66 3moe s ALA 400 N -3.42 2.25 0.43 0.00 0.00 -1.26 -0.71 121.76 119.05 3moe s ALA 400 Ca 0.01 -1.42 -0.24 0.00 0.00 0.00 0.00 51.96 50.31 3moe s ALA 400 Cb 0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 3moe s ALA 400 CO 0.69 0.49 1.21 -1.58 0.00 0.00 0.00 175.76 176.57 3moe s HIS 401 N -1.11 2.91 0.04 0.00 2.46 -0.63 -4.87 115.29 114.09 3moe s HIS 401 Ca 0.12 1.51 0.31 0.00 0.47 0.00 0.00 55.06 57.48 3moe s HIS 401 Cb -0.10 -3.47 1.51 0.00 -0.13 0.00 0.00 32.58 30.39 3moe s HIS 401 CO 0.06 -1.62 1.95 -1.35 -2.47 0.00 0.00 174.74 171.30 3moe h PRO 402 N 2.39 0.00 -0.45 2.88 0.11 -1.97 -0.18 132.00 134.78 3moe h PRO 402 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3moe h PRO 402 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3moe h PRO 402 CO 0.61 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.69 3moe n ASN 403 N -2.70 4.16 -4.72 -2.05 5.15 -1.26 -4.73 115.26 109.11 3moe n ASN 403 Ca -0.00 -2.56 -0.35 0.00 -0.60 0.00 0.00 54.58 51.06 3moe n ASN 403 Cb 0.17 -0.50 0.08 0.00 -0.53 0.00 0.00 39.78 39.00 3moe n ASN 403 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3moe s SER 404 N -1.24 4.34 0.09 1.20 1.04 -0.08 -4.88 113.70 114.17 3moe s SER 404 Ca 0.42 2.43 0.03 0.00 0.48 0.00 0.00 55.95 59.32 3moe s SER 404 Cb 0.29 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 3moe s SER 404 CO 0.17 -2.17 -0.09 -0.13 0.98 0.00 0.00 173.24 172.00 3moe s ARG 405 N -3.73 0.81 0.10 4.02 1.81 -0.72 -0.74 118.95 120.50 3moe s ARG 405 Ca 0.77 -1.14 0.03 0.00 -1.72 0.00 0.00 55.73 53.67 3moe s ARG 405 Cb -0.31 -0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 33.68 3moe s ARG 405 CO 0.43 0.07 0.11 -0.59 -0.68 0.00 0.00 175.30 174.64 3moe s PHE 406 N -2.48 3.21 -0.23 -0.53 -0.12 0.07 -0.81 117.98 117.08 3moe s PHE 406 Ca 0.05 0.06 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 3moe s PHE 406 Cb -0.03 -1.60 0.07 0.00 -0.63 0.00 0.00 43.02 40.84 3moe s PHE 406 CO -0.01 0.52 0.05 0.00 -0.05 0.00 0.00 175.22 175.74 3moe s THR 408 N 1.76 0.70 0.28 0.00 -1.32 -0.52 -1.58 115.64 114.96 3moe s THR 408 Ca 0.02 -0.82 -0.29 0.00 -1.21 0.00 0.00 61.69 59.38 3moe s THR 408 Cb -0.17 -0.68 -0.10 0.00 -1.51 0.00 0.00 72.50 70.04 3moe s THR 408 CO -0.14 -0.12 1.36 -2.84 -2.21 0.00 0.00 174.62 170.68 3moe s PRO 409 N -1.04 4.32 0.32 7.08 0.02 -1.26 -0.83 135.00 143.62 3moe s PRO 409 Ca -0.03 2.23 0.13 0.00 0.02 0.00 0.00 61.00 63.35 3moe s PRO 409 Cb -0.07 -3.10 0.54 0.00 0.02 0.00 0.00 34.50 31.88 3moe s PRO 409 CO 0.01 -0.29 1.70 0.00 -0.33 0.00 0.00 177.00 178.08 3moe h ALA 410 N 4.35 1.08 0.00 -1.55 0.00 -1.59 -3.01 119.26 118.54 3moe h ALA 410 Ca -0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3moe h ALA 410 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3moe h ALA 410 CO 0.72 0.62 0.00 0.66 0.00 0.00 0.00 179.25 181.25 3moe h SER 411 N 0.00 0.00 1.50 0.00 4.64 -1.91 -2.13 113.55 115.64 3moe h SER 411 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3moe h SER 411 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3moe h SER 411 CO 0.06 0.00 -0.08 1.56 -0.87 0.00 0.00 176.83 177.51 3moe h GLN 412 N 0.00 0.00 -6.79 4.77 4.20 -1.92 -3.47 115.11 111.90 3moe h GLN 412 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3moe h GLN 412 Cb 0.38 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.21 3moe h GLN 412 CO 0.00 0.00 0.63 0.00 -0.67 0.00 0.00 178.83 178.79 3moe n PRO 414 N 1.61 0.03 -0.29 0.00 -0.04 -1.26 -1.80 135.00 133.24 3moe n PRO 414 Ca 0.03 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.74 3moe n PRO 414 Cb 0.42 -1.54 0.19 0.00 -0.04 0.00 0.00 33.50 32.53 3moe n PRO 414 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3moe n ILE 415 N -1.60 2.10 -1.83 0.52 -5.35 -1.26 -5.03 119.36 106.91 3moe n ILE 415 Ca 0.05 -2.20 -0.41 0.00 -0.27 0.00 0.00 62.75 59.92 3moe n ILE 415 Cb 0.25 -0.25 -0.01 0.00 -1.74 0.00 0.00 39.64 37.88 3moe n ILE 415 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 3moe s ILE 416 N -2.90 2.17 0.40 7.28 1.10 -0.75 -0.80 121.20 127.71 3moe s ILE 416 Ca 0.37 0.16 -0.25 0.00 -0.51 0.00 0.00 60.65 60.41 3moe s ILE 416 Cb 0.32 -3.10 -0.08 0.00 0.15 0.00 0.00 42.46 39.74 3moe s ILE 416 CO 0.05 0.03 1.18 -0.62 -2.11 0.00 0.00 174.94 173.46 3moe s ASP 417 N 0.22 6.52 0.00 4.50 2.15 0.44 -4.71 116.67 125.80 3moe s ASP 417 Ca 0.59 2.37 0.12 0.00 0.43 0.00 0.00 52.55 56.06 3moe s ASP 417 Cb -0.46 -2.62 0.52 0.00 -0.30 0.00 0.00 42.92 40.06 3moe s ASP 417 CO 0.52 -0.68 1.39 -0.81 -0.17 0.00 0.00 175.17 175.43 3moe n PRO 418 N 0.11 0.00 -0.48 4.34 -0.04 -1.26 -1.20 135.00 136.47 3moe n PRO 418 Ca 0.04 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.87 3moe n PRO 418 Cb 0.46 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.69 3moe n PRO 418 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3moe n ALA 419 N -1.50 2.97 0.34 0.55 0.00 -1.26 -4.64 120.51 116.97 3moe n ALA 419 Ca 0.03 -1.93 0.14 0.00 0.00 0.00 0.00 53.44 51.68 3moe n ALA 419 Cb 0.14 -0.76 0.60 0.00 0.00 0.00 0.00 19.45 19.44 3moe n ALA 419 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3moe h TRP 420 N 2.47 0.00 -0.03 0.00 5.08 -1.48 -1.58 115.95 120.40 3moe h TRP 420 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3moe h TRP 420 Cb 1.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.54 3moe h TRP 420 CO 0.57 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 178.12 3moe n GLU 421 N -2.55 1.72 -2.34 0.12 1.02 -1.26 -4.64 120.64 112.71 3moe n GLU 421 Ca 0.01 -2.44 -0.42 0.00 -0.02 0.00 0.00 57.16 54.29 3moe n GLU 421 Cb 0.23 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3moe n GLU 421 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3moe s SER 422 N -2.48 6.98 0.62 1.62 0.01 -0.60 -4.80 113.70 115.05 3moe s SER 422 Ca 0.28 2.06 0.39 0.00 1.31 0.00 0.00 55.95 60.00 3moe s SER 422 Cb 0.24 -2.57 2.01 0.00 0.21 0.00 0.00 66.02 65.91 3moe s SER 422 CO 0.03 -0.57 2.23 1.55 0.41 0.00 0.00 173.24 176.89 3moe h PRO 423 N 7.11 0.00 0.00 12.44 0.13 -1.95 -1.93 132.00 147.80 3moe h PRO 423 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3moe h PRO 423 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3moe h PRO 423 CO 0.85 0.01 -0.04 0.39 -0.23 0.00 0.00 178.00 178.98 3moe n GLU 424 N -3.18 0.27 -0.23 0.86 4.71 -1.26 -4.19 120.64 117.62 3moe n GLU 424 Ca -0.02 0.21 0.03 0.00 -0.01 0.00 0.00 57.16 57.38 3moe n GLU 424 Cb 0.16 -1.81 -0.01 0.00 -1.01 0.00 0.00 31.44 28.77 3moe n GLU 424 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3moe n GLY 425 N 1.30 -1.47 3.47 0.62 0.00 -0.73 -4.67 105.19 103.73 3moe n GLY 425 Ca 0.05 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 3moe n GLY 425 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3moe s VAL 426 N -1.34 2.92 -0.22 1.61 -7.23 0.04 -4.74 120.40 111.44 3moe s VAL 426 Ca 0.00 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.85 3moe s VAL 426 Cb 0.00 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 3moe s VAL 426 CO 0.00 0.38 0.83 -2.16 -0.31 0.00 0.00 175.10 173.84 3moe s PRO 427 N -1.34 4.21 -0.12 4.82 0.04 -1.26 -0.51 135.00 140.84 3moe s PRO 427 Ca 0.15 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 3moe s PRO 427 Cb -0.11 -3.63 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 3moe s PRO 427 CO 0.05 -0.47 0.67 0.42 0.04 0.00 0.00 177.00 177.72 3moe s ILE 428 N 2.65 5.03 -0.20 0.56 -1.09 0.51 -3.97 121.20 124.70 3moe s ILE 428 Ca 0.36 1.34 0.11 0.00 -2.23 0.00 0.00 60.65 60.23 3moe s ILE 428 Cb -0.16 -4.00 -0.15 0.00 -1.58 0.00 0.00 42.46 36.57 3moe s ILE 428 CO 0.09 0.19 0.32 -0.62 -1.23 0.00 0.00 174.94 173.69 3moe n GLU 429 N 4.32 1.44 -3.80 2.79 1.02 -0.24 -4.52 120.64 121.65 3moe n GLU 429 Ca -0.01 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 3moe n GLU 429 Cb 0.51 -1.18 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 3moe n GLU 429 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3moe s GLY 430 N -2.84 -0.10 -0.08 0.62 0.00 -1.24 -2.08 107.32 101.60 3moe s GLY 430 Ca -0.01 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.04 3moe s GLY 430 CO 0.46 0.14 -0.20 -0.42 0.00 0.00 0.00 173.10 173.07 3moe s ILE 431 N -0.94 1.77 -0.17 0.90 1.01 0.00 -1.31 121.20 122.46 3moe s ILE 431 Ca -0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3moe s ILE 431 Cb -0.05 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 3moe s ILE 431 CO 0.02 0.50 -0.13 -0.63 0.00 0.00 0.00 174.94 174.70 3moe s ILE 432 N 0.38 2.85 0.25 2.92 1.01 0.45 -0.77 121.20 128.28 3moe s ILE 432 Ca -0.16 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.85 3moe s ILE 432 Cb -0.17 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3moe s ILE 432 CO 0.07 0.50 0.32 -0.36 0.00 0.00 0.00 174.94 175.47 3moe s PHE 433 N 0.91 3.33 0.00 3.97 0.08 0.09 -0.65 117.98 125.71 3moe s PHE 433 Ca -0.03 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.96 3moe s PHE 433 Cb -0.15 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3moe s PHE 433 CO -0.01 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 3moe n GLY 434 N -1.36 1.38 0.00 4.36 0.00 -1.08 -0.62 105.19 107.86 3moe n GLY 434 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3moe n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3moe n GLY 435 N -0.40 2.69 3.53 -0.02 0.00 -1.25 -4.10 105.19 105.62 3moe n GLY 435 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 3moe n GLY 435 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3moe s ARG 436 N 0.38 3.35 -0.26 1.61 0.52 -1.26 -4.47 118.95 118.82 3moe s ARG 436 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3moe s ARG 436 Cb 0.00 -3.91 0.07 0.00 0.52 0.00 0.00 34.95 31.63 3moe s ARG 436 CO 0.00 -0.90 0.01 1.03 0.02 0.00 0.00 175.30 175.45 3moe s ARG 437 N 2.66 1.25 0.51 3.54 1.81 -1.26 -0.45 118.95 127.00 3moe s ARG 437 Ca 0.21 -1.02 0.30 0.00 -1.72 0.00 0.00 55.73 53.49 3moe s ARG 437 Cb -0.15 -2.46 1.11 0.00 -0.45 0.00 0.00 34.95 33.00 3moe s ARG 437 CO 0.17 -0.73 1.89 -1.00 -0.68 0.00 0.00 175.30 174.95 3moe h PRO 438 N 7.99 0.00 -5.19 3.54 0.13 -1.95 -3.15 132.00 133.37 3moe h PRO 438 Ca -0.15 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.61 3moe h PRO 438 Cb 1.06 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.01 3moe h PRO 438 CO 0.43 0.07 -0.74 0.00 -0.23 0.00 0.00 178.00 177.52 3moe s ALA 439 N -3.60 1.33 0.00 -0.56 0.00 -1.26 -0.62 121.76 117.05 3moe s ALA 439 Ca 0.02 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3moe s ALA 439 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3moe s ALA 439 CO 0.59 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.78 3moe n GLY 440 N 0.46 1.88 3.59 0.00 0.00 -1.26 -4.95 105.19 104.91 3moe n GLY 440 Ca -0.15 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3moe n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3moe s VAL 441 N -0.45 5.20 1.06 1.61 1.01 -1.26 -4.73 120.40 122.84 3moe s VAL 441 Ca 0.00 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 3moe s VAL 441 Cb 0.00 -3.69 0.22 0.00 0.00 0.00 0.00 36.38 32.91 3moe s VAL 441 CO 0.00 0.12 1.08 -2.16 0.00 0.00 0.00 175.10 174.14 3moe s PRO 442 N 2.00 -0.08 0.22 2.72 0.04 -1.26 -4.81 135.00 133.83 3moe s PRO 442 Ca 0.13 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.60 3moe s PRO 442 Cb -0.16 -1.68 0.34 0.00 0.04 0.00 0.00 34.50 33.05 3moe s PRO 442 CO 0.11 -3.07 1.75 1.25 0.04 0.00 0.00 177.00 177.07 3moe h LEU 443 N -2.14 0.31 -7.21 -3.56 5.85 -1.74 -3.31 115.31 103.51 3moe h LEU 443 Ca -0.56 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 3moe h LEU 443 Cb 1.33 0.04 -0.23 0.00 0.37 0.00 0.00 40.66 42.18 3moe h LEU 443 CO 0.55 0.16 -0.10 0.54 -0.34 0.00 0.00 178.44 179.25 3moe s VAL 444 N -6.06 0.00 0.16 1.05 0.11 -1.26 -0.91 120.40 113.49 3moe s VAL 444 Ca -0.13 -0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.86 3moe s VAL 444 Cb 0.18 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 3moe s VAL 444 CO 0.75 -0.01 0.19 -0.72 -3.33 0.00 0.00 175.10 171.99 3moe s TYR 445 N 0.18 0.68 -0.09 1.54 1.13 -0.17 -4.54 117.35 116.09 3moe s TYR 445 Ca -0.01 -1.03 0.04 0.00 -1.41 0.00 0.00 57.07 54.66 3moe s TYR 445 Cb -0.04 -0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 40.54 3moe s TYR 445 CO 0.01 -0.65 -0.20 -2.00 -2.51 0.00 0.00 175.55 170.20 3moe s GLU 446 N -4.03 2.89 0.75 -3.49 2.12 0.32 -0.48 118.70 116.78 3moe s GLU 446 Ca 0.23 -0.82 -0.15 0.00 0.36 0.00 0.00 54.97 54.60 3moe s GLU 446 Cb 0.05 -2.35 0.05 0.00 0.26 0.00 0.00 34.13 32.14 3moe s GLU 446 CO 0.03 0.32 1.21 0.00 -0.54 0.00 0.00 175.26 176.28 3moe s ALA 447 N 0.02 2.06 -0.46 6.30 0.00 -0.10 -1.06 121.76 128.52 3moe s ALA 447 Ca -0.08 0.88 0.24 0.00 0.00 0.00 0.00 51.96 53.00 3moe s ALA 447 Cb -0.15 -3.48 0.32 0.00 0.00 0.00 0.00 23.12 19.81 3moe s ALA 447 CO 0.05 -1.98 1.44 -0.07 0.00 0.00 0.00 175.76 175.20 3moe h LEU 448 N -0.43 0.00 -7.80 0.00 3.38 -1.90 -3.45 115.31 105.12 3moe h LEU 448 Ca -0.47 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.62 3moe h LEU 448 Cb 1.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 3moe h LEU 448 CO 0.49 0.02 0.49 -0.94 0.09 0.00 0.00 178.44 178.58 3moe s SER 449 N -5.43 -0.10 0.18 -0.43 1.04 -1.26 -4.99 113.70 102.70 3moe s SER 449 Ca 0.05 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 3moe s SER 449 Cb 0.09 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.81 3moe s SER 449 CO 0.70 -1.02 1.67 -0.25 0.98 0.00 0.00 173.24 175.32 3moe h TRP 450 N 2.00 1.08 -0.29 5.02 2.91 -1.94 0.11 115.95 124.84 3moe h TRP 450 Ca -0.26 -0.15 -0.01 0.00 1.13 0.00 0.00 58.89 59.60 3moe h TRP 450 Cb 1.23 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.57 3moe h TRP 450 CO 0.78 0.93 0.13 1.96 -1.03 0.00 0.00 178.44 181.21 3moe h GLN 451 N 0.92 0.43 -0.67 2.65 7.50 -1.96 -0.03 115.11 123.96 3moe h GLN 451 Ca 0.19 -0.07 0.07 0.00 0.50 0.00 0.00 58.65 59.33 3moe h GLN 451 Cb 0.44 -0.07 -0.06 0.00 0.05 0.00 0.00 27.48 27.83 3moe h GLN 451 CO 0.01 0.43 0.36 1.25 -1.50 0.00 0.00 178.83 179.39 3moe h HIS 452 N 0.33 0.66 -0.71 2.96 2.76 -1.89 -1.54 115.15 117.72 3moe h HIS 452 Ca 0.10 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3moe h HIS 452 Cb 0.15 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 3moe h HIS 452 CO -0.01 0.30 0.47 0.78 -1.30 0.00 0.00 177.93 178.16 3moe h GLY 453 N 0.66 1.00 1.36 5.26 0.00 -0.16 0.14 103.07 111.34 3moe h GLY 453 Ca 0.31 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3moe h GLY 453 CO -0.20 0.35 0.18 -2.08 0.00 0.00 0.00 176.54 174.79 3moe h VAL 454 N 0.95 1.21 -0.69 4.60 2.07 -0.78 -1.30 116.25 122.30 3moe h VAL 454 Ca 0.26 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3moe h VAL 454 Cb -0.09 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3moe h VAL 454 CO -0.06 0.27 0.28 0.15 0.02 0.00 0.00 177.57 178.23 3moe h PHE 455 N 0.79 1.05 -0.43 1.57 3.57 -0.57 -0.85 116.94 122.06 3moe h PHE 455 Ca 0.18 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3moe h PHE 455 Cb 0.22 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3moe h PHE 455 CO 0.01 0.81 0.01 0.28 -2.23 0.00 0.00 178.31 177.20 3moe h VAL 456 N 0.98 1.23 -0.56 1.41 2.07 -0.23 0.85 116.25 122.00 3moe h VAL 456 Ca 0.23 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3moe h VAL 456 Cb 0.20 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3moe h VAL 456 CO -0.02 0.32 0.34 1.23 0.02 0.00 0.00 177.57 179.46 3moe h GLY 457 N 0.93 0.81 1.76 2.17 0.00 -0.85 -2.80 103.07 105.09 3moe h GLY 457 Ca 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3moe h GLY 457 CO 0.01 0.32 0.04 0.00 0.00 0.00 0.00 176.54 176.91 3moe h ALA 458 N 1.17 1.66 -0.02 3.60 0.00 -0.06 -1.17 119.26 124.45 3moe h ALA 458 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3moe h ALA 458 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3moe h ALA 458 CO -0.04 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3moe n ALA 459 N -2.49 2.61 -1.77 0.00 0.00 0.19 -4.47 120.51 114.57 3moe n ALA 459 Ca 0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 3moe n ALA 459 Cb 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3moe n ALA 459 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3moe s MET 460 N -1.99 3.95 0.04 0.00 -1.94 -1.05 -4.92 119.30 113.39 3moe s MET 460 Ca 0.41 2.48 -0.01 0.00 -1.71 0.00 0.00 55.69 56.86 3moe s MET 460 Cb 0.21 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 3moe s MET 460 CO 0.34 -0.63 -0.01 1.03 -0.01 0.00 0.00 175.02 175.74 3moe s ARG 461 N -2.23 0.53 -0.23 2.03 0.52 -1.26 -1.14 118.95 117.16 3moe s ARG 461 Ca 0.56 -0.99 -0.21 0.00 -0.52 0.00 0.00 55.73 54.57 3moe s ARG 461 Cb -0.45 0.19 0.06 0.00 0.52 0.00 0.00 34.95 35.27 3moe s ARG 461 CO 0.60 -0.10 0.61 0.45 0.02 0.00 0.00 175.30 176.88 3moe s SER 462 N -2.42 -0.64 0.20 0.23 0.15 0.23 -4.33 113.70 107.12 3moe s SER 462 Ca -0.01 1.23 -0.31 0.00 0.70 0.00 0.00 55.95 57.56 3moe s SER 462 Cb 0.02 1.25 -0.10 0.00 -1.71 0.00 0.00 66.02 65.47 3moe s SER 462 CO -0.07 -0.21 1.57 -0.70 1.20 0.00 0.00 173.24 175.03 3moe s GLU 463 N 0.35 4.20 0.36 5.44 2.12 0.40 -1.23 118.70 130.34 3moe s GLU 463 Ca -0.00 2.41 -0.28 0.00 0.36 0.00 0.00 54.97 57.46 3moe s GLU 463 Cb -0.04 -3.12 -0.11 0.00 0.26 0.00 0.00 34.13 31.12 3moe s GLU 463 CO 0.00 -0.60 1.40 0.00 -0.54 0.00 0.00 175.26 175.52 3moe s ALA 464 N 0.84 3.53 -0.89 6.30 0.00 0.91 -4.82 121.76 127.62 3moe s ALA 464 Ca 0.68 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3moe s ALA 464 Cb -0.45 -3.55 0.28 0.00 0.00 0.00 0.00 23.12 19.41 3moe s ALA 464 CO 0.35 -0.87 1.16 0.25 0.00 0.00 0.00 175.76 176.66 3moe n THR 465 N 0.59 4.06 0.00 0.00 -2.24 -1.26 -4.80 114.28 110.63 3moe n THR 465 Ca 0.01 -5.62 0.00 0.00 -2.27 0.00 0.00 64.05 56.16 3moe n THR 465 Cb 0.40 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 3moe n THR 465 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3moe n GLY 472 N 1.15 0.00 3.64 3.38 0.00 -1.26 -5.21 105.19 106.90 3moe n GLY 472 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 3moe n GLY 472 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3moe s LYS 473 N 0.00 2.28 0.00 1.61 1.02 -1.26 -5.11 119.74 118.29 3moe s LYS 473 Ca 0.00 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 54.61 3moe s LYS 473 Cb 0.00 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 3moe s LYS 473 CO 0.00 0.37 -0.13 0.08 -0.92 0.00 0.00 175.35 174.74 3moe s VAL 474 N -2.32 1.05 -0.49 3.17 1.01 -1.26 -5.02 120.40 116.55 3moe s VAL 474 Ca 0.31 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3moe s VAL 474 Cb -0.06 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.49 3moe s VAL 474 CO 0.20 0.21 0.45 -0.63 0.00 0.00 0.00 175.10 175.33 3moe s ILE 475 N -0.45 5.16 0.28 2.22 -1.09 -1.26 -0.06 121.20 125.99 3moe s ILE 475 Ca 0.04 -0.99 0.06 0.00 -2.23 0.00 0.00 60.65 57.53 3moe s ILE 475 Cb -0.06 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 3moe s ILE 475 CO -0.00 -0.65 0.40 0.00 -1.23 0.00 0.00 174.94 173.46 3moe s MET 476 N 1.84 3.29 0.05 2.79 0.23 -0.36 -4.83 119.30 122.30 3moe s MET 476 Ca 0.06 -0.88 -0.21 0.00 -1.03 0.00 0.00 55.69 53.63 3moe s MET 476 Cb -0.24 -2.85 -0.06 0.00 -1.53 0.00 0.00 34.83 30.15 3moe s MET 476 CO 0.07 0.28 0.63 -1.01 -2.03 0.00 0.00 175.02 172.96 3moe s HIS 477 N -2.07 3.76 -0.45 3.16 3.76 -1.26 -0.60 115.29 121.59 3moe s HIS 477 Ca 0.39 1.31 0.06 0.00 -0.15 0.00 0.00 55.06 56.67 3moe s HIS 477 Cb -0.09 -2.62 0.20 0.00 1.11 0.00 0.00 32.58 31.18 3moe s HIS 477 CO 0.30 0.44 0.55 -3.47 -0.85 0.00 0.00 174.74 171.70 3moe n ASP 478 N 2.28 -1.48 -4.72 1.40 -0.08 -0.29 -4.93 116.55 108.73 3moe n ASP 478 Ca -0.07 -2.70 -0.42 0.00 -1.51 0.00 0.00 54.79 50.09 3moe n ASP 478 Cb 0.51 0.36 -0.03 0.00 2.34 0.00 0.00 41.12 44.30 3moe n ASP 478 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3moe s PRO 479 N 0.12 4.17 -1.77 -0.67 0.04 -1.25 -1.13 135.00 134.50 3moe s PRO 479 Ca 0.32 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.86 3moe s PRO 479 Cb 0.08 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3moe s PRO 479 CO -0.15 -0.66 0.00 1.19 0.04 0.00 0.00 177.00 177.42 3moe n PHE 480 N 3.63 -0.15 -1.53 0.56 3.01 -0.47 -0.74 117.46 121.77 3moe n PHE 480 Ca 0.13 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.42 3moe n PHE 480 Cb 0.37 -3.02 -0.07 0.00 -0.01 0.00 0.00 39.48 36.75 3moe n PHE 480 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3moe n ALA 481 N 0.99 -0.28 -0.06 4.37 0.00 -0.28 -4.66 120.51 120.59 3moe n ALA 481 Ca -0.17 0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.61 3moe n ALA 481 Cb 0.57 -1.75 0.14 0.00 0.00 0.00 0.00 19.45 18.40 3moe n ALA 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3moe n MET 482 N -2.17 2.46 -0.24 0.00 2.00 0.09 -4.75 117.12 114.51 3moe n MET 482 Ca -0.17 -1.90 0.04 0.00 0.00 0.00 0.00 57.70 55.66 3moe n MET 482 Cb 0.57 -1.26 0.14 0.00 0.00 0.00 0.00 33.22 32.67 3moe n MET 482 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3moe h ARG 483 N 2.09 0.12 -0.01 0.03 2.43 -1.84 0.14 114.38 117.35 3moe h ARG 483 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3moe h ARG 483 Cb 0.69 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3moe h ARG 483 CO 0.00 0.08 0.00 -2.30 -1.51 0.00 0.00 179.97 176.24 3moe n PRO 484 N -5.31 1.08 0.00 0.20 -0.02 -1.26 -4.21 135.00 125.48 3moe n PRO 484 Ca 0.12 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3moe n PRO 484 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3moe n PRO 484 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3moe n PHE 485 N -0.80 0.00 -1.71 6.00 3.72 0.42 -5.05 117.46 120.04 3moe n PHE 485 Ca 0.20 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.17 3moe n PHE 485 Cb 0.12 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 3moe n PHE 485 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3moe n PHE 486 N -0.32 2.64 1.31 1.38 3.72 -0.80 -3.83 117.46 121.56 3moe n PHE 486 Ca 0.00 0.14 0.14 0.00 -0.05 0.00 0.00 57.45 57.68 3moe n PHE 486 Cb 0.05 -2.62 0.58 0.00 -0.94 0.00 0.00 39.48 36.54 3moe n PHE 486 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3moe n GLY 487 N 3.50 -1.06 3.54 1.37 0.00 -1.25 -4.92 105.19 106.37 3moe n GLY 487 Ca 0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3moe n GLY 487 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3moe n TYR 488 N -1.09 -1.62 -1.67 1.61 4.11 -1.26 -4.69 117.16 112.55 3moe n TYR 488 Ca 0.13 -1.36 -0.48 0.00 -0.00 0.00 0.00 57.90 56.18 3moe n TYR 488 Cb 0.29 0.67 -0.05 0.00 -0.00 0.00 0.00 39.34 40.25 3moe n TYR 488 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 3moe n ASN 489 N -1.33 3.38 -0.18 9.48 2.85 -0.41 -4.72 115.26 124.32 3moe n ASN 489 Ca -0.04 0.91 0.09 0.00 -0.11 0.00 0.00 54.58 55.43 3moe n ASN 489 Cb 0.54 -1.37 0.39 0.00 1.24 0.00 0.00 39.78 40.58 3moe n ASN 489 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3moe h PHE 490 N 9.65 0.71 -0.68 1.20 3.57 -1.89 -1.24 116.94 128.26 3moe h PHE 490 Ca -0.47 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.11 3moe h PHE 490 Cb 1.27 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.72 3moe h PHE 490 CO 0.89 0.35 0.38 0.78 -2.23 0.00 0.00 178.31 178.47 3moe h GLY 491 N 0.68 0.99 1.67 2.40 0.00 -1.90 -0.18 103.07 106.74 3moe h GLY 491 Ca 0.34 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3moe h GLY 491 CO -0.12 0.16 -0.26 0.50 0.00 0.00 0.00 176.54 176.81 3moe h LYS 492 N 0.69 0.38 -0.69 4.80 1.79 -1.52 -1.75 116.57 120.28 3moe h LYS 492 Ca 0.30 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 3moe h LYS 492 Cb 0.19 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 3moe h LYS 492 CO -0.19 0.62 0.31 -0.92 -1.08 0.00 0.00 179.45 178.19 3moe h TYR 493 N 0.34 1.02 -0.67 -1.35 5.03 -0.56 -0.07 116.97 120.71 3moe h TYR 493 Ca 0.05 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 3moe h TYR 493 Cb 0.65 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 3moe h TYR 493 CO 0.02 0.77 0.39 -0.07 -1.32 0.00 0.00 178.16 177.95 3moe h LEU 494 N 0.97 0.81 -1.09 2.82 3.38 -0.80 -1.04 115.31 120.36 3moe h LEU 494 Ca 0.23 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3moe h LEU 494 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3moe h LEU 494 CO -0.03 0.64 0.37 0.00 0.09 0.00 0.00 178.44 179.52 3moe h ALA 495 N 1.20 1.30 0.17 1.53 0.00 -0.91 -0.12 119.26 122.43 3moe h ALA 495 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3moe h ALA 495 Cb -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3moe h ALA 495 CO -0.04 0.56 -0.08 1.25 0.00 0.00 0.00 179.25 180.93 3moe h HIS 496 N 1.01 -0.21 -0.55 0.00 -0.00 -0.37 -0.31 115.15 114.72 3moe h HIS 496 Ca 0.25 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.68 3moe h HIS 496 Cb 0.06 0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 3moe h HIS 496 CO 0.01 -0.01 0.25 -1.49 -0.00 0.00 0.00 177.93 176.69 3moe h TRP 497 N -0.38 0.46 -0.52 5.26 4.06 -0.91 -2.70 115.95 121.23 3moe h TRP 497 Ca -0.02 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.91 3moe h TRP 497 Cb 0.29 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 3moe h TRP 497 CO -0.02 0.19 0.17 -0.07 -3.56 0.00 0.00 178.44 175.15 3moe h LEU 498 N 0.48 0.71 -2.31 -4.49 3.38 -0.77 -2.42 115.31 109.89 3moe h LEU 498 Ca 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3moe h LEU 498 Cb 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3moe h LEU 498 CO -0.21 0.67 -0.00 0.77 0.09 0.00 0.00 178.44 179.76 3moe h SER 499 N 0.75 0.00 0.26 -0.43 4.64 -0.71 -2.46 113.55 115.60 3moe h SER 499 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 3moe h SER 499 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3moe h SER 499 CO -0.01 0.00 -0.07 0.24 -0.87 0.00 0.00 176.83 176.13 3moe h MET 500 N 0.00 0.00 0.00 4.77 2.86 -1.39 -0.93 114.93 120.24 3moe h MET 500 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3moe h MET 500 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3moe h MET 500 CO 0.00 0.07 0.00 0.00 1.06 0.00 0.00 176.91 178.04 3moe h ALA 501 N 1.93 1.00 -0.40 6.32 0.00 -1.64 -3.00 119.26 123.48 3moe h ALA 501 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3moe h ALA 501 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3moe h ALA 501 CO 0.01 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.98 3moe n HIS 502 N -2.99 0.52 -2.67 0.00 8.25 -0.36 -4.84 115.22 113.12 3moe n HIS 502 Ca 0.00 -0.26 -0.43 0.00 -0.26 0.00 0.00 57.72 56.78 3moe n HIS 502 Cb 0.27 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 3moe n HIS 502 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3moe s ARG 503 N -1.48 4.19 0.23 -0.41 0.52 -1.13 -5.01 118.95 115.86 3moe s ARG 503 Ca 0.39 1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 56.53 3moe s ARG 503 Cb 0.23 -3.67 -0.15 0.00 0.52 0.00 0.00 34.95 31.88 3moe s ARG 503 CO 0.32 -0.71 1.14 -2.30 0.02 0.00 0.00 175.30 173.77 3moe n PRO 504 N 6.47 1.40 -0.60 3.54 -0.02 -1.26 -2.24 135.00 142.27 3moe n PRO 504 Ca 0.11 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3moe n PRO 504 Cb 0.46 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3moe n PRO 504 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3moe n ALA 505 N 1.01 0.00 -1.84 3.55 0.00 -1.26 -4.89 120.51 117.08 3moe n ALA 505 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 3moe n ALA 505 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 3moe n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3moe s ALA 506 N -3.59 3.69 -0.80 0.00 0.00 -0.95 -4.25 121.76 115.85 3moe s ALA 506 Ca 0.00 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.26 3moe s ALA 506 Cb 0.00 -3.60 0.21 0.00 0.00 0.00 0.00 23.12 19.73 3moe s ALA 506 CO 0.00 -0.83 0.72 0.15 0.00 0.00 0.00 175.76 175.80 3moe s LYS 507 N -0.28 3.44 0.24 0.00 1.02 0.56 -5.03 119.74 119.69 3moe s LYS 507 Ca 0.62 -2.51 -0.30 0.00 0.02 0.00 0.00 55.97 53.80 3moe s LYS 507 Cb -0.44 -4.31 -0.09 0.00 -0.52 0.00 0.00 37.83 32.47 3moe s LYS 507 CO 0.44 -1.27 1.10 -0.51 -0.92 0.00 0.00 175.35 174.19 3moe s LEU 508 N 0.06 4.53 0.74 3.17 1.43 -1.26 -4.38 118.68 122.97 3moe s LEU 508 Ca 0.18 2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 55.36 3moe s LEU 508 Cb -0.12 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3moe s LEU 508 CO -0.08 -0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.28 3moe s PRO 509 N -1.02 2.35 0.39 1.29 0.04 -1.26 -5.00 135.00 131.79 3moe s PRO 509 Ca 0.46 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 3moe s PRO 509 Cb -0.31 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 3moe s PRO 509 CO 0.39 -1.59 1.20 0.21 0.04 0.00 0.00 177.00 177.24 3moe s LYS 510 N -4.48 4.07 -0.14 4.56 2.20 -0.88 -4.81 119.74 120.26 3moe s LYS 510 Ca 0.65 1.92 -0.02 0.00 -0.36 0.00 0.00 55.97 58.16 3moe s LYS 510 Cb -0.20 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3moe s LYS 510 CO 0.50 -0.33 -0.07 0.42 -0.36 0.00 0.00 175.35 175.51 3moe s ILE 511 N -1.36 3.61 0.28 5.43 1.01 -1.26 -0.82 121.20 128.09 3moe s ILE 511 Ca 0.56 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.83 3moe s ILE 511 Cb -0.33 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 3moe s ILE 511 CO 0.41 0.51 -0.11 -0.36 0.00 0.00 0.00 174.94 175.39 3moe s PHE 512 N 0.29 2.08 -0.03 3.97 0.40 0.05 -0.92 117.98 123.82 3moe s PHE 512 Ca -0.06 -0.56 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3moe s PHE 512 Cb -0.15 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.28 3moe s PHE 512 CO 0.04 0.45 -0.12 -1.58 0.70 0.00 0.00 175.22 174.71 3moe s HIS 513 N -2.81 1.19 0.32 0.36 2.46 0.37 -0.73 115.29 116.44 3moe s HIS 513 Ca 0.29 -0.31 0.10 0.00 0.47 0.00 0.00 55.06 55.62 3moe s HIS 513 Cb 0.01 -0.82 -0.06 0.00 -0.13 0.00 0.00 32.58 31.58 3moe s HIS 513 CO 0.13 -0.11 -0.13 0.14 -2.47 0.00 0.00 174.74 172.30 3moe s VAL 514 N 0.10 2.29 -0.25 0.89 -7.23 0.21 -1.00 120.40 115.41 3moe s VAL 514 Ca -0.02 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 57.85 3moe s VAL 514 Cb -0.09 -2.52 0.11 0.00 0.56 0.00 0.00 36.38 34.44 3moe s VAL 514 CO 0.01 -0.27 0.24 0.21 -0.31 0.00 0.00 175.10 174.98 3moe s ASN 515 N -3.57 1.79 0.03 4.85 2.47 -0.08 -3.85 114.94 116.57 3moe s ASN 515 Ca 0.31 -0.60 0.28 0.00 0.42 0.00 0.00 52.86 53.28 3moe s ASN 515 Cb 0.00 0.35 1.12 0.00 -1.45 0.00 0.00 41.25 41.27 3moe s ASN 515 CO 0.16 -0.37 1.87 0.79 -3.72 0.00 0.00 177.10 175.82 3moe n TRP 516 N 5.31 0.12 -0.34 0.43 5.03 -1.26 -4.36 117.44 122.36 3moe n TRP 516 Ca -0.04 0.03 0.07 0.00 3.03 0.00 0.00 57.50 60.59 3moe n TRP 516 Cb 0.47 -0.54 0.19 0.00 -1.03 0.00 0.00 31.31 30.41 3moe n TRP 516 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 3moe n PHE 517 N -1.60 0.63 -2.05 -5.99 3.72 -1.26 -4.67 117.46 106.25 3moe n PHE 517 Ca 0.07 -0.57 -0.41 0.00 -0.05 0.00 0.00 57.45 56.49 3moe n PHE 517 Cb 0.35 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 3moe n PHE 517 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3moe s ARG 518 N -1.33 4.29 0.17 -1.08 3.52 -1.19 -3.96 118.95 119.37 3moe s ARG 518 Ca 0.30 2.27 0.11 0.00 -0.13 0.00 0.00 55.73 58.28 3moe s ARG 518 Cb 0.18 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3moe s ARG 518 CO 0.16 -0.35 -0.24 0.15 -0.81 0.00 0.00 175.30 174.21 3moe s LYS 519 N -0.76 1.44 0.80 5.12 1.02 0.21 -1.33 119.74 126.24 3moe s LYS 519 Ca 0.56 -1.44 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 3moe s LYS 519 Cb -0.41 -1.80 0.18 0.00 -0.52 0.00 0.00 37.83 35.29 3moe s LYS 519 CO 0.46 0.40 1.05 -0.40 -0.92 0.00 0.00 175.35 175.94 3moe n ASP 520 N 0.51 -0.04 0.21 2.83 3.85 0.06 -4.75 116.55 119.22 3moe n ASP 520 Ca -0.15 -1.36 0.13 0.00 -0.71 0.00 0.00 54.79 52.70 3moe n ASP 520 Cb 0.55 -0.81 0.74 0.00 -1.35 0.00 0.00 41.12 40.24 3moe n ASP 520 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 3moe h LYS 521 N 0.00 0.00 -0.17 0.11 6.56 -1.97 -0.40 116.57 120.70 3moe h LYS 521 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 3moe h LYS 521 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 3moe h LYS 521 CO 0.24 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.72 3moe n ASN 522 N -4.24 1.33 0.00 0.86 3.02 -1.26 -4.90 115.26 110.08 3moe n ASN 522 Ca 0.00 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 3moe n ASN 522 Cb 0.22 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3moe n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3moe n GLY 523 N 1.02 0.59 3.83 7.41 0.00 -0.16 -5.04 105.19 112.85 3moe n GLY 523 Ca 0.14 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3moe n GLY 523 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3moe s LYS 524 N -0.48 3.99 0.17 1.61 2.20 -1.26 -4.81 119.74 121.16 3moe s LYS 524 Ca 0.00 0.49 -0.32 0.00 -0.36 0.00 0.00 55.97 55.78 3moe s LYS 524 Cb 0.00 -3.14 -0.11 0.00 -1.51 0.00 0.00 37.83 33.07 3moe s LYS 524 CO 0.00 0.62 1.75 -0.06 -0.36 0.00 0.00 175.35 177.30 3moe s PHE 525 N -1.20 2.63 0.30 4.03 2.99 -1.26 -0.76 117.98 124.70 3moe s PHE 525 Ca 0.29 0.23 0.16 0.00 0.00 0.00 0.00 56.93 57.61 3moe s PHE 525 Cb -0.17 -4.13 0.73 0.00 0.00 0.00 0.00 43.02 39.45 3moe s PHE 525 CO 0.17 -4.44 1.79 -0.07 -0.00 0.00 0.00 175.22 172.67 3moe h LEU 526 N 7.49 0.00 -8.67 -0.37 3.38 -1.54 -3.46 115.31 112.14 3moe h LEU 526 Ca -0.44 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.83 3moe h LEU 526 Cb 1.21 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.67 3moe h LEU 526 CO 0.95 0.39 -0.88 0.86 0.09 0.00 0.00 178.44 179.84 3moe s TRP 527 N -3.91 2.34 -0.08 1.13 -0.11 -1.26 -4.55 118.94 112.49 3moe s TRP 527 Ca -0.02 -0.42 0.16 0.00 1.22 0.00 0.00 56.10 57.04 3moe s TRP 527 Cb 0.13 -1.46 0.23 0.00 -1.50 0.00 0.00 33.47 30.86 3moe s TRP 527 CO 0.70 0.03 1.52 -1.00 -4.62 0.00 0.00 176.95 173.58 3moe h PRO 528 N 5.20 0.00 0.00 5.86 0.13 -1.92 -3.49 132.00 137.79 3moe h PRO 528 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3moe h PRO 528 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3moe h PRO 528 CO 0.46 0.46 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 3moe n GLY 529 N 0.99 -0.45 7.00 1.56 0.00 -1.26 -4.90 105.19 108.12 3moe n GLY 529 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.94 3moe n GLY 529 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3moe n PHE 530 N -0.15 0.00 0.28 1.61 3.72 -1.26 -1.20 117.46 120.47 3moe n PHE 530 Ca 0.00 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 3moe n PHE 530 Cb 0.00 0.00 0.80 0.00 -0.94 0.00 0.00 39.48 39.34 3moe n PHE 530 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3moe h GLY 531 N 0.00 0.00 1.68 1.37 0.00 -1.83 0.11 103.07 104.40 3moe h GLY 531 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3moe h GLY 531 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3moe n GLU 532 N -3.25 0.18 0.06 4.80 -0.58 -0.34 -2.12 120.64 119.39 3moe n GLU 532 Ca -0.01 0.15 0.08 0.00 -0.42 0.00 0.00 57.16 56.96 3moe n GLU 532 Cb 0.25 -1.50 0.37 0.00 -0.57 0.00 0.00 31.44 29.98 3moe n GLU 532 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3moe n ASN 533 N -1.34 0.28 -0.08 1.62 3.02 0.37 -1.14 115.26 117.98 3moe n ASN 533 Ca 0.07 0.58 0.21 0.00 -0.03 0.00 0.00 54.58 55.41 3moe n ASN 533 Cb 0.15 -0.63 0.66 0.00 -0.61 0.00 0.00 39.78 39.35 3moe n ASN 533 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3moe h SER 534 N 0.00 0.09 -0.18 6.41 4.64 -1.61 -0.53 113.55 122.37 3moe h SER 534 Ca 0.00 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3moe h SER 534 Cb 0.25 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3moe h SER 534 CO 0.00 0.04 -0.10 0.03 -0.87 0.00 0.00 176.83 175.94 3moe h ARG 535 N 0.10 0.54 -0.09 4.77 3.08 -1.38 -0.68 114.38 120.71 3moe h ARG 535 Ca 0.33 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 60.04 3moe h ARG 535 Cb 1.16 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.16 3moe h ARG 535 CO -0.03 0.63 -0.70 0.28 -1.07 0.00 0.00 179.97 179.08 3moe h VAL 536 N 0.50 1.33 -0.21 2.04 2.07 -1.31 -2.83 116.25 117.84 3moe h VAL 536 Ca 0.10 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 3moe h VAL 536 Cb 0.47 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3moe h VAL 536 CO 0.03 0.61 0.06 -0.07 0.02 0.00 0.00 177.57 178.21 3moe h LEU 537 N 0.27 0.26 -0.59 2.57 3.38 -1.11 -1.29 115.31 118.81 3moe h LEU 537 Ca -0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3moe h LEU 537 Cb 1.35 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3moe h LEU 537 CO 0.14 0.26 -0.02 -0.08 0.09 0.00 0.00 178.44 178.84 3moe h GLU 538 N 0.29 1.05 -0.56 1.13 4.81 -1.08 0.34 114.58 120.55 3moe h GLU 538 Ca 0.07 -0.34 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 3moe h GLU 538 Cb 0.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3moe h GLU 538 CO -0.00 1.04 0.08 2.35 -0.73 0.00 0.00 179.01 181.75 3moe h TRP 539 N 0.94 1.00 -0.72 0.92 7.01 -1.09 -1.61 115.95 122.40 3moe h TRP 539 Ca 0.16 -0.14 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 3moe h TRP 539 Cb 0.58 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 3moe h TRP 539 CO 0.04 0.88 0.29 0.52 -2.79 0.00 0.00 178.44 177.38 3moe h MET 540 N 0.83 1.07 0.13 2.65 2.86 -0.83 -0.50 114.93 121.14 3moe h MET 540 Ca 0.17 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3moe h MET 540 Cb 0.43 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3moe h MET 540 CO 0.01 0.87 -0.09 0.35 1.06 0.00 0.00 176.91 179.11 3moe h PHE 541 N 1.05 -0.24 -0.66 -0.22 3.04 -0.64 -0.45 116.94 118.81 3moe h PHE 541 Ca 0.24 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 3moe h PHE 541 Cb 0.20 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 3moe h PHE 541 CO 0.02 -0.15 0.40 0.78 -2.02 0.00 0.00 178.31 177.34 3moe h GLY 542 N -0.23 0.96 1.62 2.40 0.00 -1.06 -2.09 103.07 104.67 3moe h GLY 542 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3moe h GLY 542 CO -0.00 0.39 -0.03 3.21 0.00 0.00 0.00 176.54 180.11 3moe h ARG 543 N 0.90 0.47 -0.09 4.80 2.47 -0.44 0.65 114.38 123.14 3moe h ARG 543 Ca 0.24 -0.10 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 3moe h ARG 543 Cb -0.03 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 3moe h ARG 543 CO -0.04 0.52 -0.17 0.82 0.56 0.00 0.00 179.97 181.65 3moe h ILE 544 N 0.45 1.18 0.00 2.04 2.04 -0.62 -0.98 117.51 121.62 3moe h ILE 544 Ca 0.10 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3moe h ILE 544 Cb 0.34 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3moe h ILE 544 CO 0.01 0.24 0.00 -0.62 0.00 0.00 0.00 178.15 177.78 3moe n GLU 545 N -4.27 0.23 -0.52 2.37 1.02 -0.83 -4.90 120.64 113.74 3moe n GLU 545 Ca -0.01 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3moe n GLU 545 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3moe n GLU 545 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3moe n GLY 546 N 1.09 0.68 3.76 0.62 0.00 -0.37 -5.06 105.19 105.91 3moe n GLY 546 Ca 0.10 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3moe n GLY 546 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3moe s GLU 547 N -0.98 3.43 -1.40 1.61 2.12 0.15 -4.87 118.70 118.75 3moe s GLU 547 Ca 0.00 2.23 -0.09 0.00 0.36 0.00 0.00 54.97 57.47 3moe s GLU 547 Cb 0.00 -2.43 0.08 0.00 0.26 0.00 0.00 34.13 32.04 3moe s GLU 547 CO 0.00 -0.96 2.31 -3.47 -0.54 0.00 0.00 175.26 172.60 3moe n ASP 548 N -0.64 6.46 -0.07 -1.70 -0.08 -1.26 -4.53 116.55 114.74 3moe n ASP 548 Ca 0.08 -2.96 0.02 0.00 -1.51 0.00 0.00 54.79 50.42 3moe n ASP 548 Cb 0.44 -1.50 0.04 0.00 2.34 0.00 0.00 41.12 42.44 3moe n ASP 548 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3moe n SER 549 N 3.61 2.15 -4.53 1.67 3.41 -1.26 -5.01 113.62 113.66 3moe n SER 549 Ca 0.57 -2.19 -0.26 0.00 -0.26 0.00 0.00 58.87 56.72 3moe n SER 549 Cb 0.31 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 3moe n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3moe s ALA 550 N -1.33 2.84 -0.03 7.33 0.00 -1.26 -1.52 121.76 127.80 3moe s ALA 550 Ca 0.07 -1.55 0.06 0.00 0.00 0.00 0.00 51.96 50.55 3moe s ALA 550 Cb 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3moe s ALA 550 CO 0.02 0.44 -0.21 0.21 0.00 0.00 0.00 175.76 176.22 3moe s LYS 551 N -2.87 1.83 0.13 0.00 2.20 0.49 -4.71 119.74 116.81 3moe s LYS 551 Ca 0.24 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3moe s LYS 551 Cb -0.08 -1.69 -0.07 0.00 -1.51 0.00 0.00 37.83 34.48 3moe s LYS 551 CO 0.14 0.39 1.16 -1.17 -0.36 0.00 0.00 175.35 175.51 3moe s LEU 552 N -0.32 4.43 0.38 5.43 2.96 -1.26 -0.94 118.68 129.36 3moe s LEU 552 Ca 0.04 2.09 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 3moe s LEU 552 Cb -0.10 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3moe s LEU 552 CO 0.00 -0.35 0.13 0.42 -1.32 0.00 0.00 176.35 175.23 3moe s THR 553 N 0.33 0.60 0.38 3.68 -4.23 -0.26 -4.93 115.64 111.21 3moe s THR 553 Ca 0.54 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.31 3moe s THR 553 Cb -0.30 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.38 3moe s THR 553 CO 0.33 0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 175.79 3moe h PRO 554 N 1.92 0.00 -0.06 3.99 0.11 -1.97 -2.36 132.00 133.63 3moe h PRO 554 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3moe h PRO 554 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3moe h PRO 554 CO 0.57 0.14 0.00 0.44 -0.21 0.00 0.00 178.00 178.94 3moe n ILE 555 N -3.62 0.04 0.00 4.15 -5.35 -1.26 -4.79 119.36 108.54 3moe n ILE 555 Ca -0.02 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 3moe n ILE 555 Cb 0.27 1.39 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3moe n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3moe n GLY 556 N 1.35 0.83 3.74 3.28 0.00 -0.89 -4.85 105.19 108.66 3moe n GLY 556 Ca 0.15 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 3moe n GLY 556 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3moe s TYR 557 N -1.36 3.92 0.31 1.61 1.51 -0.22 -1.10 117.35 122.02 3moe s TYR 557 Ca 0.00 1.86 0.07 0.00 -1.01 0.00 0.00 57.07 57.99 3moe s TYR 557 Cb 0.00 -2.99 -0.06 0.00 -0.11 0.00 0.00 41.96 38.80 3moe s TYR 557 CO 0.00 0.38 -0.05 0.14 -1.11 0.00 0.00 175.55 174.91 3moe s VAL 558 N -0.78 1.76 0.34 0.71 -7.23 -0.11 -0.52 120.40 114.56 3moe s VAL 558 Ca 0.43 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 3moe s VAL 558 Cb -0.25 -2.58 -0.11 0.00 0.56 0.00 0.00 36.38 34.00 3moe s VAL 558 CO 0.31 -0.22 1.47 -2.84 -0.31 0.00 0.00 175.10 173.51 3moe s PRO 559 N -3.72 4.18 0.97 4.82 0.02 -1.26 -0.38 135.00 139.63 3moe s PRO 559 Ca 0.31 2.47 -0.11 0.00 0.02 0.00 0.00 61.00 63.70 3moe s PRO 559 Cb 0.05 -3.02 0.18 0.00 0.02 0.00 0.00 34.50 31.73 3moe s PRO 559 CO 0.14 -0.47 1.11 0.15 -0.33 0.00 0.00 177.00 177.60 3moe s LYS 560 N -1.53 0.59 0.33 5.54 1.02 -0.58 -4.61 119.74 120.50 3moe s LYS 560 Ca 0.55 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.60 3moe s LYS 560 Cb -0.45 -1.69 -0.11 0.00 -0.52 0.00 0.00 37.83 35.06 3moe s LYS 560 CO 0.56 -2.86 1.41 -2.00 -0.92 0.00 0.00 175.35 171.53 3moe s GLU 561 N -4.62 4.24 0.00 1.68 2.12 -1.26 -1.28 118.70 119.58 3moe s GLU 561 Ca 0.67 2.38 0.00 0.00 0.36 0.00 0.00 54.97 58.38 3moe s GLU 561 Cb -0.23 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3moe s GLU 561 CO 0.59 -0.37 0.00 -0.25 -0.54 0.00 0.00 175.26 174.69 3moe n ASP 562 N 1.00 -0.07 0.09 -1.70 8.00 -1.26 -4.87 116.55 117.74 3moe n ASP 562 Ca 0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 3moe n ASP 562 Cb 0.40 -0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 3moe n ASP 562 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3moe h ALA 563 N 0.00 0.17 -2.70 2.24 0.00 -1.52 -3.44 119.26 114.00 3moe h ALA 563 Ca 0.00 -0.92 -0.49 0.00 0.00 0.00 0.00 54.91 53.50 3moe h ALA 563 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3moe h ALA 563 CO 0.00 1.05 0.36 -0.51 0.00 0.00 0.00 179.25 180.15 3moe s LEU 564 N -7.03 4.59 -0.54 0.00 1.43 -1.26 -4.94 118.68 110.92 3moe s LEU 564 Ca -0.03 1.95 -0.28 0.00 -1.03 0.00 0.00 54.13 54.74 3moe s LEU 564 Cb 0.08 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.64 3moe s LEU 564 CO 0.87 0.10 1.15 0.21 0.23 0.00 0.00 176.35 178.90 3moe s ASN 565 N -1.23 6.50 -0.23 2.29 3.84 -1.26 -4.80 114.94 120.05 3moe s ASN 565 Ca 0.43 0.19 0.12 0.00 0.21 0.00 0.00 52.86 53.81 3moe s ASN 565 Cb -0.25 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.37 3moe s ASN 565 CO 0.31 -1.37 1.36 0.18 -2.79 0.00 0.00 177.10 174.79 3moe n LEU 566 N 8.13 3.54 -4.72 3.21 4.77 -1.26 -4.87 117.00 125.80 3moe n LEU 566 Ca 0.09 -3.56 -0.42 0.00 -0.03 0.00 0.00 56.01 52.09 3moe n LEU 566 Cb 0.49 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3moe n LEU 566 CO 0.71 1.10 1.16 -0.54 -1.33 0.00 0.00 177.39 178.48 3moe s LYS 567 N -3.11 4.26 0.00 3.23 1.02 -1.26 0.19 119.74 124.07 3moe s LYS 567 Ca 0.41 2.24 0.00 0.00 0.02 0.00 0.00 55.97 58.64 3moe s LYS 567 Cb 0.37 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3moe s LYS 567 CO 0.01 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 3moe n GLY 568 N 3.58 1.70 1.96 -3.33 0.00 -1.26 -4.87 105.19 102.97 3moe n GLY 568 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3moe n GLY 568 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3moe n LEU 569 N 0.00 3.29 0.25 0.99 4.77 0.50 -4.77 117.00 122.04 3moe n LEU 569 Ca 0.00 -3.89 0.17 0.00 -0.03 0.00 0.00 56.01 52.26 3moe n LEU 569 Cb 0.00 -0.12 0.78 0.00 -2.33 0.00 0.00 43.42 41.75 3moe n LEU 569 CO 0.00 1.55 1.00 1.23 -1.33 0.00 0.00 177.39 179.84 3moe h GLY 570 N 1.99 0.00 2.00 -0.72 0.00 -1.87 -1.48 103.07 102.99 3moe h GLY 570 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3moe h GLY 570 CO 0.42 0.00 0.00 1.29 0.00 0.00 0.00 176.54 178.25 3moe h ASP 571 N 0.00 0.00 -3.85 0.19 3.04 -1.90 -3.47 116.42 110.44 3moe h ASP 571 Ca 0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 3moe h ASP 571 Cb 0.29 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.64 3moe h ASP 571 CO 0.00 0.00 0.64 -0.69 -2.04 0.00 0.00 179.24 177.15 3moe s VAL 572 N -3.44 2.74 -1.32 4.15 1.01 -0.56 -4.90 120.40 118.08 3moe s VAL 572 Ca 0.04 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 3moe s VAL 572 Cb 0.09 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3moe s VAL 572 CO 0.51 0.17 1.94 -3.20 0.00 0.00 0.00 175.10 174.52 3moe n ASN 573 N 0.91 4.27 0.15 3.32 2.85 -1.26 -4.79 115.26 120.71 3moe n ASN 573 Ca 0.00 -2.86 0.03 0.00 -0.11 0.00 0.00 54.58 51.65 3moe n ASN 573 Cb 0.42 -1.68 0.43 0.00 1.24 0.00 0.00 39.78 40.19 3moe n ASN 573 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3moe h VAL 574 N 5.00 1.16 -0.25 3.44 2.07 -1.94 -1.32 116.25 124.41 3moe h VAL 574 Ca 0.47 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3moe h VAL 574 Cb 0.78 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3moe h VAL 574 CO 1.62 0.21 0.10 -0.08 0.02 0.00 0.00 177.57 179.45 3moe h GLU 575 N 0.17 0.22 0.00 1.57 4.57 -1.98 -2.13 114.58 117.01 3moe h GLU 575 Ca 0.04 -0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 57.95 3moe h GLU 575 Cb 0.33 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3moe h GLU 575 CO 0.02 0.15 -1.02 1.49 -1.18 0.00 0.00 179.01 178.46 3moe h GLU 576 N 0.23 0.63 -0.46 1.92 4.81 -1.92 -2.54 114.58 117.25 3moe h GLU 576 Ca 0.11 -0.68 -0.10 0.00 -0.13 0.00 0.00 59.36 58.56 3moe h GLU 576 Cb 0.06 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3moe h GLU 576 CO -0.09 1.27 -0.13 1.25 -0.73 0.00 0.00 179.01 180.58 3moe h LEU 577 N 0.35 0.84 0.00 1.64 5.85 -1.08 -3.07 115.31 119.85 3moe h LEU 577 Ca -0.12 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3moe h LEU 577 Cb 1.67 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3moe h LEU 577 CO 0.19 0.98 -0.66 0.49 -0.34 0.00 0.00 178.44 179.11 3moe n PHE 578 N -4.15 0.07 -2.54 1.25 3.72 -0.82 -3.08 117.46 111.91 3moe n PHE 578 Ca 0.01 0.02 -0.35 0.00 -0.05 0.00 0.00 57.45 57.09 3moe n PHE 578 Cb 0.39 -0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3moe n PHE 578 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3moe s GLY 579 N -3.13 2.56 -0.22 1.37 0.00 -0.96 -4.86 107.32 102.08 3moe s GLY 579 Ca 0.09 0.63 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 3moe s GLY 579 CO 0.74 0.98 0.00 -0.42 0.00 0.00 0.00 173.10 174.40 3moe s ILE 580 N -1.90 0.98 -0.22 0.90 1.01 -1.26 -4.53 121.20 116.17 3moe s ILE 580 Ca 0.65 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 3moe s ILE 580 Cb -0.18 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3moe s ILE 580 CO 0.22 -0.20 0.31 -0.55 0.00 0.00 0.00 174.94 174.71 3moe s SER 581 N 1.64 6.31 0.28 3.58 0.15 -1.26 -5.00 113.70 119.41 3moe s SER 581 Ca -0.02 0.36 0.02 0.00 0.70 0.00 0.00 55.95 57.01 3moe s SER 581 Cb -0.18 -2.18 0.63 0.00 -1.71 0.00 0.00 66.02 62.57 3moe s SER 581 CO -0.08 -0.03 1.76 0.50 1.20 0.00 0.00 173.24 176.59 3moe h LYS 582 N 7.44 0.65 -0.40 5.44 3.64 -1.98 -1.69 116.57 129.67 3moe h LYS 582 Ca -0.37 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.90 3moe h LYS 582 Cb 1.16 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3moe h LYS 582 CO 0.69 0.43 -0.06 1.49 -2.27 0.00 0.00 179.45 179.74 3moe h GLU 583 N 0.67 0.75 -0.27 1.90 4.81 -1.98 0.12 114.58 120.58 3moe h GLU 583 Ca 0.52 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3moe h GLU 583 Cb 0.77 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3moe h GLU 583 CO -0.38 0.86 0.11 0.35 -0.73 0.00 0.00 179.01 179.22 3moe h PHE 584 N 0.57 0.42 0.00 0.92 3.57 -1.92 -2.73 116.94 117.76 3moe h PHE 584 Ca 0.11 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3moe h PHE 584 Cb 0.56 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3moe h PHE 584 CO 0.05 0.42 -0.48 -1.49 -2.23 0.00 0.00 178.31 174.58 3moe h TRP 585 N 0.29 0.00 -0.70 0.41 4.06 -0.98 -0.32 115.95 118.72 3moe h TRP 585 Ca 0.09 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.99 3moe h TRP 585 Cb 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 3moe h TRP 585 CO -0.01 0.48 0.23 0.93 -3.56 0.00 0.00 178.44 176.51 3moe h GLU 586 N 0.00 1.06 -0.25 0.49 5.08 -0.71 -1.08 114.58 119.17 3moe h GLU 586 Ca -0.00 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 57.98 3moe h GLU 586 Cb 0.99 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3moe h GLU 586 CO 0.06 0.90 -0.51 -0.22 -1.00 0.00 0.00 179.01 178.24 3moe h LYS 587 N 1.03 0.72 -0.21 2.33 1.63 -1.16 -2.64 116.57 118.28 3moe h LYS 587 Ca 0.23 -0.44 -0.02 0.00 -0.85 0.00 0.00 60.65 59.57 3moe h LYS 587 Cb 0.27 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 3moe h LYS 587 CO -0.01 1.06 0.05 1.49 -3.45 0.00 0.00 179.45 178.59 3moe h GLU 588 N 0.56 0.33 -0.45 1.90 4.57 -0.69 -1.70 114.58 119.10 3moe h GLU 588 Ca 0.02 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 3moe h GLU 588 Cb 1.08 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 3moe h GLU 588 CO 0.11 0.45 0.03 0.28 -1.18 0.00 0.00 179.01 178.70 3moe h VAL 589 N 0.15 1.23 -0.58 0.32 2.07 -1.18 -0.78 116.25 117.47 3moe h VAL 589 Ca 0.07 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3moe h VAL 589 Cb 0.27 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3moe h VAL 589 CO 0.00 0.32 0.28 -0.08 0.02 0.00 0.00 177.57 178.11 3moe h GLU 590 N 0.68 0.84 -0.54 1.57 4.81 -1.08 -0.01 114.58 120.85 3moe h GLU 590 Ca 0.14 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3moe h GLU 590 Cb 0.37 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3moe h GLU 590 CO 0.01 0.68 -0.02 0.93 -0.73 0.00 0.00 179.01 179.88 3moe h GLU 591 N 0.79 0.97 -0.49 1.92 4.39 -0.70 -0.84 114.58 120.63 3moe h GLU 591 Ca 0.20 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3moe h GLU 591 Cb 0.12 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3moe h GLU 591 CO -0.03 0.99 0.31 0.82 -1.16 0.00 0.00 179.01 179.95 3moe h ILE 592 N 0.85 1.09 -0.20 3.13 2.04 -0.95 -1.80 117.51 121.67 3moe h ILE 592 Ca 0.15 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3moe h ILE 592 Cb 0.57 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3moe h ILE 592 CO 0.03 0.11 0.10 -0.78 0.00 0.00 0.00 178.15 177.62 3moe h ASP 593 N 0.63 0.26 -0.65 1.72 1.82 -0.75 -0.15 116.42 119.30 3moe h ASP 593 Ca 0.19 -0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 3moe h ASP 593 Cb -0.03 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 39.88 3moe h ASP 593 CO -0.07 0.30 0.34 0.11 -1.61 0.00 0.00 179.24 178.31 3moe h LYS 594 N 0.20 0.95 0.02 0.28 1.57 -1.09 -0.75 116.57 117.75 3moe h LYS 594 Ca 0.07 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3moe h LYS 594 Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3moe h LYS 594 CO -0.01 0.72 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.66 3moe h TYR 595 N 0.95 -0.02 -0.46 -1.35 3.20 -1.01 -2.38 116.97 115.90 3moe h TYR 595 Ca 0.24 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3moe h TYR 595 Cb 0.07 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3moe h TYR 595 CO 0.01 0.36 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.64 3moe h LEU 596 N -0.41 0.91 -0.43 2.82 3.38 -0.78 0.88 115.31 121.68 3moe h LEU 596 Ca -0.00 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3moe h LEU 596 Cb 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3moe h LEU 596 CO 0.00 1.07 0.18 -0.08 0.09 0.00 0.00 178.44 179.70 3moe h GLU 597 N 0.79 0.64 0.14 1.13 4.81 -1.18 -1.00 114.58 119.90 3moe h GLU 597 Ca 0.11 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3moe h GLU 597 Cb 0.72 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3moe h GLU 597 CO 0.06 0.58 -0.07 0.22 -0.73 0.00 0.00 179.01 179.07 3moe h ASP 598 N 0.56 -0.15 1.12 1.04 -0.00 -1.26 -2.77 116.42 114.95 3moe h ASP 598 Ca 0.15 -0.39 -0.16 0.00 -0.00 0.00 0.00 57.03 56.63 3moe h ASP 598 Cb 0.17 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.52 3moe h ASP 598 CO -0.01 0.43 -0.92 1.56 -0.00 0.00 0.00 179.24 180.30 3moe h GLN 599 N -0.88 0.00 0.00 0.28 1.08 -0.85 0.66 115.11 115.40 3moe h GLN 599 Ca -0.02 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.92 3moe h GLN 599 Cb 0.53 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 3moe h GLN 599 CO 0.03 0.56 -1.99 0.28 -0.95 0.00 0.00 178.83 176.76 3moe n VAL 600 N -3.16 0.99 0.00 -0.54 0.31 -0.43 -4.58 118.33 110.93 3moe n VAL 600 Ca -0.03 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3moe n VAL 600 Cb 0.83 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 3moe n VAL 600 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3moe n ASN 601 N -2.78 0.00 0.03 4.52 5.15 -0.91 -1.44 115.26 119.83 3moe n ASN 601 Ca -0.27 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 53.83 3moe n ASN 601 Cb 0.89 0.00 0.51 0.00 -0.53 0.00 0.00 39.78 40.65 3moe n ASN 601 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3moe n ALA 602 N 10.49 2.13 -0.50 5.20 0.00 -1.26 -2.13 120.51 134.43 3moe n ALA 602 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3moe n ALA 602 Cb 0.00 -1.41 0.33 0.00 0.00 0.00 0.00 19.45 18.37 3moe n ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3moe n ASP 603 N -1.68 4.32 -4.66 0.00 8.00 -0.52 -4.91 116.55 117.08 3moe n ASP 603 Ca 0.06 -2.25 -0.43 0.00 0.71 0.00 0.00 54.79 52.88 3moe n ASP 603 Cb 0.31 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 3moe n ASP 603 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3moe s LEU 604 N -1.47 4.15 0.55 0.64 2.96 -0.91 -4.38 118.68 120.22 3moe s LEU 604 Ca 0.49 1.51 -0.21 0.00 -0.22 0.00 0.00 54.13 55.70 3moe s LEU 604 Cb 0.29 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 3moe s LEU 604 CO 0.27 -0.68 1.31 -2.84 -1.32 0.00 0.00 176.35 173.10 3moe s PRO 605 N 3.15 3.11 0.36 0.98 0.02 -1.26 -4.88 135.00 136.48 3moe s PRO 605 Ca 0.48 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.65 3moe s PRO 605 Cb -0.18 -2.18 0.68 0.00 0.02 0.00 0.00 34.50 32.85 3moe s PRO 605 CO 0.10 -1.17 2.00 -0.92 -0.33 0.00 0.00 177.00 176.68 3moe h TYR 606 N 1.34 0.68 0.00 6.54 3.20 -1.99 -1.05 116.97 125.69 3moe h TYR 606 Ca -0.51 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.33 3moe h TYR 606 Cb 1.30 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 3moe h TYR 606 CO 0.46 0.47 -0.14 0.93 -1.64 0.00 0.00 178.16 178.24 3moe h GLU 607 N 0.72 0.00 0.04 1.82 5.08 -1.99 0.12 114.58 120.37 3moe h GLU 607 Ca 0.19 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.27 3moe h GLU 607 Cb -0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 3moe h GLU 607 CO -0.03 0.14 -1.12 0.82 -1.00 0.00 0.00 179.01 177.82 3moe h ILE 608 N 0.00 1.28 -0.71 3.13 1.08 -1.56 -1.73 117.51 119.00 3moe h ILE 608 Ca -0.00 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.15 3moe h ILE 608 Cb 0.27 2.49 -0.04 0.00 -3.07 0.00 0.00 36.82 36.48 3moe h ILE 608 CO 0.02 0.72 0.46 -0.08 -0.69 0.00 0.00 178.15 178.57 3moe h GLU 609 N 0.35 0.95 -0.35 2.37 4.81 -1.06 -1.09 114.58 120.56 3moe h GLU 609 Ca -0.15 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 3moe h GLU 609 Cb 1.78 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.94 3moe h GLU 609 CO 0.22 0.65 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.83 3moe h ARG 610 N 0.98 0.77 -0.23 1.92 2.43 -0.66 -1.19 114.38 118.40 3moe h ARG 610 Ca 0.26 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 3moe h ARG 610 Cb -0.08 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3moe h ARG 610 CO -0.05 0.98 -0.08 0.93 -1.51 0.00 0.00 179.97 180.24 3moe h GLU 611 N 0.55 0.35 -0.35 0.20 4.39 -0.86 0.47 114.58 119.33 3moe h GLU 611 Ca 0.07 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3moe h GLU 611 Cb 0.78 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3moe h GLU 611 CO 0.06 0.45 0.11 1.25 -1.16 0.00 0.00 179.01 179.72 3moe h LEU 612 N 0.34 0.51 -0.88 1.33 5.85 -0.88 -0.48 115.31 121.10 3moe h LEU 612 Ca 0.07 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3moe h LEU 612 Cb 0.36 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3moe h LEU 612 CO 0.02 0.58 0.57 0.03 -0.34 0.00 0.00 178.44 179.30 3moe h ARG 613 N 0.42 1.17 -0.29 1.25 3.08 -0.87 -1.05 114.38 118.09 3moe h ARG 613 Ca 0.11 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 3moe h ARG 613 Cb 0.25 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3moe h ARG 613 CO -0.00 0.78 -0.39 0.00 -1.07 0.00 0.00 179.97 179.28 3moe h ALA 614 N 1.31 0.77 -0.34 0.04 0.00 -0.64 -0.69 119.26 119.71 3moe h ALA 614 Ca 0.32 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3moe h ALA 614 Cb -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3moe h ALA 614 CO -0.07 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.08 3moe h LEU 615 N 0.56 0.60 -0.84 0.00 5.85 -0.82 -0.15 115.31 120.51 3moe h LEU 615 Ca 0.05 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.52 3moe h LEU 615 Cb 0.92 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 3moe h LEU 615 CO 0.08 0.77 0.52 0.11 -0.34 0.00 0.00 178.44 179.58 3moe h LYS 616 N 0.42 0.91 -0.28 1.25 1.57 -0.99 -0.70 116.57 118.74 3moe h LYS 616 Ca 0.10 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3moe h LYS 616 Cb 0.46 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3moe h LYS 616 CO 0.02 0.60 0.04 0.37 -0.57 0.00 0.00 179.45 179.91 3moe h GLN 617 N 0.94 0.48 -0.76 3.15 5.75 -0.77 -0.81 115.11 123.09 3moe h GLN 617 Ca 0.37 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 3moe h GLN 617 Cb 0.19 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3moe h GLN 617 CO -0.18 0.60 0.31 0.00 -2.65 0.00 0.00 178.83 176.91 3moe h ARG 618 N 0.29 1.13 -0.58 1.69 3.08 -0.55 -2.36 114.38 117.07 3moe h ARG 618 Ca 0.09 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3moe h ARG 618 Cb 0.36 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3moe h ARG 618 CO 0.01 0.91 0.12 0.82 -1.07 0.00 0.00 179.97 180.75 3moe h ILE 619 N 1.10 1.24 0.00 2.04 2.04 -0.92 -2.49 117.51 120.53 3moe h ILE 619 Ca 0.26 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3moe h ILE 619 Cb 0.19 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3moe h ILE 619 CO -0.02 0.34 -0.12 0.77 0.00 0.00 0.00 178.15 179.11 3moe h SER 620 N 0.88 0.00 -0.16 1.72 4.64 -0.63 -1.18 113.55 118.83 3moe h SER 620 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3moe h SER 620 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3moe h SER 620 CO 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 3moe n GLN 621 N -3.62 1.70 0.00 4.77 1.13 -0.94 -5.10 117.38 115.32 3moe n GLN 621 Ca -0.02 -1.05 0.08 0.00 -1.94 0.00 0.00 57.00 54.08 3moe n GLN 621 Cb 0.25 -1.39 0.47 0.00 0.11 0.00 0.00 30.24 29.68 3moe n GLN 621 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29