#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lgg h ILE 4 N 0.00 1.25 -0.87 2.46 2.04 -2.05 -1.34 117.51 118.99 3lgg h ILE 4 Ca 0.00 -1.00 0.14 0.00 1.00 0.00 0.00 64.86 65.00 3lgg h ILE 4 Cb 0.00 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 3lgg h ILE 4 CO 0.00 0.36 0.56 0.44 0.00 0.00 0.00 178.15 179.52 3lgg h ASP 5 N 0.84 0.63 0.09 1.72 3.32 -2.05 -0.73 116.42 120.24 3lgg h ASP 5 Ca 0.17 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 3lgg h ASP 5 Cb 0.44 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3lgg h ASP 5 CO 0.02 0.32 -0.70 -0.33 -1.72 0.00 0.00 179.24 176.83 3lgg h GLU 6 N 0.67 0.55 -0.42 3.56 5.08 -1.75 -1.31 114.58 120.97 3lgg h GLU 6 Ca 0.43 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3lgg h GLU 6 Cb 0.71 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3lgg h GLU 6 CO -0.19 1.05 0.14 1.15 -1.00 0.00 0.00 179.01 180.16 3lgg h THR 7 N 0.39 1.22 -0.22 1.13 2.02 -0.65 -0.56 112.91 116.23 3lgg h THR 7 Ca -0.03 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 3lgg h THR 7 Cb 1.29 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3lgg h THR 7 CO 0.13 0.25 0.13 -0.09 0.37 0.00 0.00 175.52 176.31 3lgg h ARG 8 N 0.54 0.30 -0.28 6.66 2.43 -1.10 -1.69 114.38 121.24 3lgg h ARG 8 Ca 0.14 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3lgg h ARG 8 Cb 0.25 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3lgg h ARG 8 CO -0.01 0.25 -0.13 0.00 -1.51 0.00 0.00 179.97 178.58 3lgg h ALA 9 N 1.04 1.27 -0.38 2.80 0.00 -1.14 -2.43 119.26 120.40 3lgg h ALA 9 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3lgg h ALA 9 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3lgg h ALA 9 CO -0.01 0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.96 3lgg h HIS 10 N 0.44 0.75 -0.64 0.00 -0.00 -0.84 -1.22 115.15 113.63 3lgg h HIS 10 Ca 0.08 -0.14 -0.07 0.00 -0.00 0.00 0.00 60.37 60.25 3lgg h HIS 10 Cb 0.48 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 3lgg h HIS 10 CO 0.02 0.78 0.14 -0.07 -0.00 0.00 0.00 177.93 178.80 3lgg h LEU 11 N 0.50 0.99 -0.64 0.26 3.38 -1.17 0.04 115.31 118.68 3lgg h LEU 11 Ca 0.11 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3lgg h LEU 11 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3lgg h LEU 11 CO 0.02 0.97 0.10 -0.07 0.09 0.00 0.00 178.44 179.56 3lgg h LEU 12 N 0.96 1.01 -0.60 1.67 3.38 -1.37 -2.22 115.31 118.14 3lgg h LEU 12 Ca 0.20 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3lgg h LEU 12 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3lgg h LEU 12 CO 0.00 1.01 -0.25 0.25 0.09 0.00 0.00 178.44 179.55 3lgg h LEU 13 N 0.97 0.87 -0.36 1.67 5.85 -1.01 -1.13 115.31 122.17 3lgg h LEU 13 Ca 0.19 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3lgg h LEU 13 Cb 0.43 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3lgg h LEU 13 CO 0.01 1.08 0.22 0.50 -0.34 0.00 0.00 178.44 179.91 3lgg h LYS 14 N 0.73 0.43 -0.18 1.25 3.64 -0.87 -0.28 116.57 121.29 3lgg h LYS 14 Ca 0.09 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3lgg h LYS 14 Cb 0.79 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3lgg h LYS 14 CO 0.07 0.28 -0.25 0.93 -2.27 0.00 0.00 179.45 178.21 3lgg h GLU 15 N 0.44 0.34 -0.73 1.90 5.08 -1.31 -0.54 114.58 119.76 3lgg h GLU 15 Ca 0.14 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3lgg h GLU 15 Cb -0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3lgg h GLU 15 CO -0.06 0.57 0.28 -0.22 -1.00 0.00 0.00 179.01 178.58 3lgg h LYS 16 N 0.30 1.09 0.02 2.33 3.64 -0.81 -2.82 116.57 120.32 3lgg h LYS 16 Ca 0.05 -0.20 -0.25 0.00 -1.27 0.00 0.00 60.65 58.98 3lgg h LYS 16 Cb 0.61 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3lgg h LYS 16 CO 0.04 0.89 -1.03 0.52 -2.27 0.00 0.00 179.45 177.61 3lgg h MET 17 N 1.06 0.52 0.00 1.90 2.86 -0.39 -3.35 114.93 117.53 3lgg h MET 17 Ca 0.24 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 3lgg h MET 17 Cb 0.22 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3lgg h MET 17 CO -0.02 1.21 -0.61 0.00 1.06 0.00 0.00 176.91 178.56 3lgg n MET 18 N -3.77 0.16 -1.27 1.72 0.00 -0.27 -4.01 117.12 109.67 3lgg n MET 18 Ca -0.09 0.04 -0.31 0.00 0.00 0.00 0.00 57.70 57.34 3lgg n MET 18 Cb 0.88 -1.59 0.10 0.00 0.00 0.00 0.00 33.22 32.61 3lgg n MET 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3lgg s ARG 19 N -3.09 2.15 0.01 3.17 1.70 -1.07 -1.46 118.95 120.36 3lgg s ARG 19 Ca 0.08 1.10 -0.34 0.00 -0.47 0.00 0.00 55.73 56.11 3lgg s ARG 19 Cb 0.15 -1.89 -0.12 0.00 -0.57 0.00 0.00 34.95 32.52 3lgg s ARG 19 CO 0.72 -1.70 1.80 -0.11 -1.08 0.00 0.00 175.30 174.93 3lgg n LEU 20 N -3.55 3.46 0.00 -1.89 0.00 0.28 -0.81 117.00 114.49 3lgg n LEU 20 Ca 0.09 1.00 0.00 0.00 0.00 0.00 0.00 56.01 57.10 3lgg n LEU 20 Cb 0.53 -1.41 0.00 0.00 0.00 0.00 0.00 43.42 42.54 3lgg n LEU 20 CO 0.54 -0.08 0.00 0.61 0.00 0.00 0.00 177.39 178.46 3lgg n GLY 21 N 4.12 1.12 0.24 -3.96 0.00 -1.26 -3.80 105.19 101.65 3lgg n GLY 21 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 3lgg n GLY 21 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3lgg h GLY 22 N 0.00 0.00 -1.12 -0.02 0.00 -1.16 -1.79 103.07 98.99 3lgg h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lgg h GLY 22 CO 0.00 0.00 -0.13 0.54 0.00 0.00 0.00 176.54 176.95 3lgg n ARG 23 N -2.62 1.48 -1.86 4.80 1.74 -1.26 -4.60 116.66 114.34 3lgg n ARG 23 Ca -0.02 -1.24 -0.42 0.00 -0.77 0.00 0.00 57.85 55.41 3lgg n ARG 23 Cb 0.07 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 3lgg n ARG 23 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3lgg s LEU 24 N -1.64 4.37 -0.21 0.55 1.43 -0.67 -4.97 118.68 117.53 3lgg s LEU 24 Ca 0.17 2.79 -0.21 0.00 -1.03 0.00 0.00 54.13 55.85 3lgg s LEU 24 Cb 0.14 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3lgg s LEU 24 CO 0.28 -0.86 0.63 -0.69 0.23 0.00 0.00 176.35 175.95 3lgg s VAL 25 N 0.54 5.01 0.08 -1.59 1.01 -1.26 -5.03 120.40 119.16 3lgg s VAL 25 Ca 0.67 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 3lgg s VAL 25 Cb -0.46 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 3lgg s VAL 25 CO 0.39 0.09 0.50 -0.76 0.00 0.00 0.00 175.10 175.32 3lgg s LEU 26 N 2.06 4.43 0.74 3.92 1.02 -1.26 -5.11 118.68 124.48 3lgg s LEU 26 Ca 0.28 1.07 -0.07 0.00 0.02 0.00 0.00 54.13 55.43 3lgg s LEU 26 Cb -0.16 -2.94 0.09 0.00 0.02 0.00 0.00 46.19 43.20 3lgg s LEU 26 CO 0.10 0.22 1.05 0.54 0.02 0.00 0.00 176.35 178.29 3lgg s ASN 27 N -1.37 4.55 0.40 2.29 2.20 -1.26 -4.82 114.94 116.94 3lgg s ASN 27 Ca 0.31 0.36 0.15 0.00 -0.94 0.00 0.00 52.86 52.73 3lgg s ASN 27 Cb -0.17 -0.90 0.86 0.00 -2.00 0.00 0.00 41.25 39.04 3lgg s ASN 27 CO 0.17 -1.77 1.88 0.71 -2.94 0.00 0.00 177.10 175.15 3lgg h THR 28 N -0.73 1.14 -0.28 0.54 1.35 -1.99 0.11 112.91 113.05 3lgg h THR 28 Ca -0.44 -1.07 -0.04 0.00 -0.55 0.00 0.00 66.41 64.32 3lgg h THR 28 Cb 1.30 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 3lgg h THR 28 CO 0.56 0.30 0.02 0.50 -0.25 0.00 0.00 175.52 176.64 3lgg h LYS 29 N 0.00 0.48 -0.47 4.72 1.63 -1.99 -2.29 116.57 118.65 3lgg h LYS 29 Ca -0.00 -0.14 -0.12 0.00 -0.85 0.00 0.00 60.65 59.54 3lgg h LYS 29 Cb 0.56 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 3lgg h LYS 29 CO 0.04 0.62 -0.17 0.93 -3.45 0.00 0.00 179.45 177.41 3lgg h GLU 30 N 0.27 0.92 -0.95 1.90 5.08 -1.57 -1.60 114.58 118.63 3lgg h GLU 30 Ca 0.08 -0.36 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 3lgg h GLU 30 Cb 0.39 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 3lgg h GLU 30 CO 0.01 1.01 0.62 0.93 -1.00 0.00 0.00 179.01 180.58 3lgg h GLU 31 N 0.81 1.09 -0.25 2.33 4.39 -0.82 0.23 114.58 122.34 3lgg h GLU 31 Ca 0.12 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 3lgg h GLU 31 Cb 0.72 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3lgg h GLU 31 CO 0.06 0.72 -0.17 1.25 -1.16 0.00 0.00 179.01 179.70 3lgg h LEU 32 N 1.12 0.58 -0.76 1.33 7.12 -1.05 -1.09 115.31 122.56 3lgg h LEU 32 Ca 0.40 -0.44 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 3lgg h LEU 32 Cb 0.14 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.08 3lgg h LEU 32 CO -0.15 0.90 0.32 0.00 -0.13 0.00 0.00 178.44 179.38 3lgg h ALA 33 N 0.70 0.98 -0.66 1.25 0.00 -0.99 -2.35 119.26 118.20 3lgg h ALA 33 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3lgg h ALA 33 Cb 0.71 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3lgg h ALA 33 CO 0.05 0.59 0.36 -0.97 0.00 0.00 0.00 179.25 179.27 3lgg h ASN 34 N 1.08 0.83 -0.79 0.00 -0.73 -0.47 0.89 115.58 116.40 3lgg h ASN 34 Ca 0.25 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 3lgg h ASN 34 Cb 0.19 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.53 3lgg h ASN 34 CO -0.02 0.69 0.48 -0.08 -0.37 0.00 0.00 177.43 178.13 3lgg h GLU 35 N 0.90 1.07 -0.10 6.67 4.81 -0.98 0.40 114.58 127.36 3lgg h GLU 35 Ca 0.23 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 3lgg h GLU 35 Cb 0.05 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.22 3lgg h GLU 35 CO -0.04 0.75 -0.65 0.00 -0.73 0.00 0.00 179.01 178.34 3lgg h ARG 36 N 1.08 0.61 0.01 1.92 3.08 -1.22 -2.29 114.38 117.56 3lgg h ARG 36 Ca 0.28 -0.53 0.02 0.00 0.07 0.00 0.00 59.98 59.83 3lgg h ARG 36 Cb -0.05 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3lgg h ARG 36 CO -0.05 1.15 -0.16 1.25 -1.07 0.00 0.00 179.97 181.08 3lgg h LEU 37 N 0.25 -0.46 -1.06 3.04 5.85 -0.63 -2.55 115.31 119.74 3lgg h LEU 37 Ca -0.05 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3lgg h LEU 37 Cb 1.30 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 3lgg h LEU 37 CO 0.13 -0.22 0.40 0.24 -0.34 0.00 0.00 178.44 178.65 3lgg h MET 38 N -0.27 1.05 -0.34 1.25 2.86 -0.24 -0.60 114.93 118.64 3lgg h MET 38 Ca 0.05 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3lgg h MET 38 Cb 0.33 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3lgg h MET 38 CO -0.15 0.78 0.10 1.15 1.06 0.00 0.00 176.91 179.86 3lgg h THR 39 N 1.06 0.88 -0.48 2.22 2.02 -1.34 0.13 112.91 117.40 3lgg h THR 39 Ca 0.27 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 3lgg h THR 39 Cb 0.05 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3lgg h THR 39 CO -0.04 0.04 -0.00 -0.07 0.37 0.00 0.00 175.52 175.82 3lgg h LEU 40 N 0.24 0.77 0.48 2.58 3.38 -1.00 -2.08 115.31 119.69 3lgg h LEU 40 Ca 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3lgg h LEU 40 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3lgg h LEU 40 CO -0.17 0.84 -0.23 0.50 0.09 0.00 0.00 178.44 179.46 3lgg h LYS 41 N 0.75 -0.63 -0.33 1.13 3.64 -0.76 -2.70 116.57 117.67 3lgg h LYS 41 Ca 0.15 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3lgg h LYS 41 Cb 0.45 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 3lgg h LYS 41 CO 0.02 -0.33 -0.03 0.82 -2.27 0.00 0.00 179.45 177.66 3lgg h ILE 42 N -0.88 0.73 -0.74 2.00 2.04 -0.74 -0.35 117.51 119.56 3lgg h ILE 42 Ca -0.07 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 65.88 3lgg h ILE 42 Cb 0.59 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 3lgg h ILE 42 CO 0.11 0.01 0.37 0.00 0.00 0.00 0.00 178.15 178.64 3lgg h ALA 43 N 1.30 1.03 -0.50 1.87 0.00 -1.45 0.18 119.26 121.69 3lgg h ALA 43 Ca 0.16 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3lgg h ALA 43 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3lgg h ALA 43 CO -0.29 -0.05 -0.15 1.49 0.00 0.00 0.00 179.25 180.25 3lgg h GLU 44 N 0.61 0.96 -0.32 0.00 4.81 -1.00 -2.37 114.58 117.26 3lgg h GLU 44 Ca 0.37 -0.37 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 3lgg h GLU 44 Cb 0.42 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3lgg h GLU 44 CO -0.29 1.04 -0.46 0.52 -0.73 0.00 0.00 179.01 179.09 3lgg h MET 45 N 0.85 0.84 -0.37 1.92 2.86 -0.42 -2.15 114.93 118.46 3lgg h MET 45 Ca 0.13 -0.48 0.07 0.00 -2.06 0.00 0.00 59.70 57.35 3lgg h MET 45 Cb 0.70 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 3lgg h MET 45 CO 0.05 1.12 -0.02 0.87 1.06 0.00 0.00 176.91 180.00 3lgg h LYS 46 N 0.67 0.08 -0.86 1.72 6.56 -0.58 0.11 116.57 124.27 3lgg h LYS 46 Ca 0.04 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.59 3lgg h LYS 46 Cb 1.05 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.65 3lgg h LYS 46 CO 0.10 0.05 0.43 1.49 -2.06 0.00 0.00 179.45 179.47 3lgg h GLU 47 N 0.08 1.23 -0.10 3.15 4.57 -1.38 -0.91 114.58 121.22 3lgg h GLU 47 Ca 0.18 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 3lgg h GLU 47 Cb 0.26 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3lgg h GLU 47 CO -0.32 0.93 -0.46 0.00 -1.18 0.00 0.00 179.01 177.99 3lgg h ALA 48 N 1.24 1.04 -0.14 2.92 0.00 -0.94 -0.60 119.26 122.79 3lgg h ALA 48 Ca 0.30 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3lgg h ALA 48 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3lgg h ALA 48 CO -0.04 0.63 -0.29 0.52 0.00 0.00 0.00 179.25 180.07 3lgg h MET 49 N 0.20 0.26 0.13 0.00 2.86 -0.39 0.28 114.93 118.27 3lgg h MET 49 Ca 0.01 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3lgg h MET 49 Cb 0.89 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3lgg h MET 49 CO 0.07 0.53 -0.06 -0.09 1.06 0.00 0.00 176.91 178.42 3lgg h ARG 50 N 0.23 -0.17 0.00 1.72 2.43 -0.67 -3.37 114.38 114.55 3lgg h ARG 50 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3lgg h ARG 50 Cb 0.63 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3lgg h ARG 50 CO 0.05 0.30 -0.99 0.25 -1.51 0.00 0.00 179.97 178.06 3lgg n THR 51 N -4.90 0.46 -1.04 0.20 -2.24 -0.28 -4.95 114.28 101.52 3lgg n THR 51 Ca -0.08 -0.44 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 3lgg n THR 51 Cb 0.27 -0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.31 3lgg n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3lgg n LEU 52 N -2.42 0.54 -4.49 3.22 4.77 0.99 -4.96 117.00 114.66 3lgg n LEU 52 Ca 0.01 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 3lgg n LEU 52 Cb 0.51 -1.96 -0.03 0.00 -2.33 0.00 0.00 43.42 39.62 3lgg n LEU 52 CO 0.40 -0.72 1.13 -0.63 -1.33 0.00 0.00 177.39 176.24 3lgg s ILE 53 N -1.41 4.44 -0.26 -0.08 1.01 -1.24 -4.96 121.20 118.70 3lgg s ILE 53 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.41 3lgg s ILE 53 Cb 0.00 -4.87 0.07 0.00 0.01 0.00 0.00 42.46 37.67 3lgg s ILE 53 CO 0.00 -1.65 -0.02 0.12 0.00 0.00 0.00 174.94 173.40 3lgg s PHE 54 N 3.51 2.53 0.20 3.97 5.36 -1.26 -4.50 117.98 127.78 3lgg s PHE 54 Ca 0.37 -1.96 -0.11 0.00 -0.96 0.00 0.00 56.93 54.27 3lgg s PHE 54 Cb -0.04 -1.81 0.27 0.00 -0.34 0.00 0.00 43.02 41.09 3lgg s PHE 54 CO -0.09 -0.82 1.69 -1.35 -1.46 0.00 0.00 175.22 173.20 3lgg h PRO 55 N 7.92 0.19 -0.14 10.12 0.11 -1.93 -0.78 132.00 147.49 3lgg h PRO 55 Ca -0.15 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.99 3lgg h PRO 55 Cb 1.05 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3lgg h PRO 55 CO 0.44 0.13 0.14 -1.35 -0.21 0.00 0.00 178.00 177.14 3lgg h PRO 56 N 0.19 0.00 0.00 1.05 0.11 -1.95 -0.62 132.00 130.79 3lgg h PRO 56 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3lgg h PRO 56 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3lgg h PRO 56 CO -0.43 0.00 -0.08 0.66 -0.21 0.00 0.00 178.00 177.94 3lgg h SER 57 N 0.00 0.00 -2.46 -2.05 4.64 -1.48 -2.37 113.55 109.83 3lgg h SER 57 Ca 0.07 -0.02 -0.45 0.00 -0.47 0.00 0.00 61.79 60.91 3lgg h SER 57 Cb 0.34 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3lgg h SER 57 CO -0.00 0.01 -0.17 -0.04 -0.87 0.00 0.00 176.83 175.76 3lgg s MET 58 N -3.13 3.06 0.24 4.77 -1.94 -0.24 -4.50 119.30 117.55 3lgg s MET 58 Ca 0.09 -0.65 -0.30 0.00 -1.71 0.00 0.00 55.69 53.12 3lgg s MET 58 Cb 0.11 -2.63 -0.10 0.00 2.01 0.00 0.00 34.83 34.21 3lgg s MET 58 CO 0.63 -0.19 1.46 -1.58 -0.01 0.00 0.00 175.02 175.33 3lgg s HIS 59 N -2.45 3.02 0.47 -0.03 5.65 -1.26 -4.82 115.29 115.87 3lgg s HIS 59 Ca 0.48 0.97 0.22 0.00 0.25 0.00 0.00 55.06 56.97 3lgg s HIS 59 Cb -0.10 -3.84 1.23 0.00 -1.18 0.00 0.00 32.58 28.69 3lgg s HIS 59 CO 0.36 -2.78 1.92 0.35 -0.65 0.00 0.00 174.74 173.93 3lgg h PHE 60 N 5.28 0.28 -0.76 3.88 3.57 -1.93 -0.30 116.94 126.96 3lgg h PHE 60 Ca -0.46 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.08 3lgg h PHE 60 Cb 1.22 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3lgg h PHE 60 CO 0.61 0.09 0.49 0.74 -2.23 0.00 0.00 178.31 178.01 3lgg h PHE 61 N 0.23 0.92 0.00 0.41 0.04 -1.90 -0.45 116.94 116.19 3lgg h PHE 61 Ca 0.38 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 61.02 3lgg h PHE 61 Cb 1.14 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 3lgg h PHE 61 CO -0.00 0.55 -0.92 1.96 -0.60 0.00 0.00 178.31 179.29 3lgg h GLN 62 N 0.97 0.00 0.00 1.51 7.50 -1.43 -3.36 115.11 120.30 3lgg h GLN 62 Ca 0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.44 3lgg h GLN 62 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.49 3lgg h GLN 62 CO -0.09 0.50 -0.63 0.00 -1.50 0.00 0.00 178.83 177.11 3lgg h ALA 63 N 1.39 0.65 -0.26 3.87 0.00 -0.83 -3.40 119.26 120.67 3lgg h ALA 63 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3lgg h ALA 63 Cb 1.53 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 3lgg h ALA 63 CO 0.07 0.00 -0.04 -0.22 0.00 0.00 0.00 179.25 179.06 3lgg h LYS 64 N 0.00 0.03 -0.12 0.00 3.64 -1.23 -0.65 116.57 118.24 3lgg h LYS 64 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3lgg h LYS 64 Cb 0.89 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3lgg h LYS 64 CO 0.00 0.02 0.05 1.12 -2.27 0.00 0.00 179.45 178.36 3lgg h HIS 65 N 0.03 0.16 -0.14 1.91 2.07 -1.85 -1.35 115.15 115.98 3lgg h HIS 65 Ca 0.12 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.43 3lgg h HIS 65 Cb 0.18 -0.05 0.01 0.00 2.57 0.00 0.00 27.41 30.11 3lgg h HIS 65 CO -0.24 0.14 -0.77 -0.07 -3.07 0.00 0.00 177.93 173.92 3lgg h LEU 66 N 0.17 0.87 -1.13 6.12 3.38 -1.55 -3.12 115.31 120.05 3lgg h LEU 66 Ca 0.04 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3lgg h LEU 66 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3lgg h LEU 66 CO -0.00 1.36 0.22 0.40 0.09 0.00 0.00 178.44 180.50 3lgg h ILE 67 N 0.50 1.21 0.00 1.22 2.04 -0.48 -2.40 117.51 119.60 3lgg h ILE 67 Ca -0.05 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3lgg h ILE 67 Cb 1.39 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3lgg h ILE 67 CO 0.16 0.26 -0.13 -0.33 0.00 0.00 0.00 178.15 178.11 3lgg h GLU 68 N 0.82 0.00 -0.09 2.37 5.08 -1.26 -2.03 114.58 119.47 3lgg h GLU 68 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3lgg h GLU 68 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3lgg h GLU 68 CO -0.02 0.13 0.00 0.54 -1.00 0.00 0.00 179.01 178.66 3lgg n ARG 69 N -3.44 1.58 -3.22 2.33 1.74 -0.91 -4.89 116.66 109.85 3lgg n ARG 69 Ca -0.01 -0.87 -0.39 0.00 -0.77 0.00 0.00 57.85 55.82 3lgg n ARG 69 Cb 0.30 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3lgg n ARG 69 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3lgg s SER 70 N -1.75 6.78 0.43 0.55 0.15 -0.76 -4.95 113.70 114.15 3lgg s SER 70 Ca 0.35 0.94 0.14 0.00 0.70 0.00 0.00 55.95 58.07 3lgg s SER 70 Cb 0.19 -2.33 0.94 0.00 -1.71 0.00 0.00 66.02 63.11 3lgg s SER 70 CO 0.29 -0.04 1.96 1.56 1.20 0.00 0.00 173.24 178.21 3lgg h GLN 71 N 6.75 0.01 -0.06 5.44 1.08 -1.91 -0.87 115.11 125.55 3lgg h GLN 71 Ca -0.41 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.78 3lgg h GLN 71 Cb 1.18 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.61 3lgg h GLN 71 CO 0.76 0.22 -0.01 0.28 -0.95 0.00 0.00 178.83 179.13 3lgg h VAL 72 N 0.01 1.27 -0.40 -0.54 2.07 -1.92 -2.13 116.25 114.61 3lgg h VAL 72 Ca -0.00 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.74 3lgg h VAL 72 Cb 0.39 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3lgg h VAL 72 CO 0.03 0.23 0.04 0.15 0.02 0.00 0.00 177.57 178.04 3lgg h PHE 73 N -0.21 0.06 -0.45 1.57 3.57 -1.73 -0.44 116.94 119.30 3lgg h PHE 73 Ca 0.02 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.63 3lgg h PHE 73 Cb 0.37 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.06 3lgg h PHE 73 CO 0.04 -0.03 -0.12 -0.97 -2.23 0.00 0.00 178.31 175.00 3lgg h ASN 74 N 0.16 -0.46 -0.94 0.41 -1.24 -1.11 0.19 115.58 112.60 3lgg h ASN 74 Ca 0.19 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.34 3lgg h ASN 74 Cb 0.25 0.29 -0.05 0.00 0.73 0.00 0.00 38.32 39.55 3lgg h ASN 74 CO -0.28 -0.16 0.58 0.40 -1.29 0.00 0.00 177.43 176.68 3lgg h ILE 75 N -0.02 1.25 -0.00 2.57 2.04 -0.89 -2.64 117.51 119.82 3lgg h ILE 75 Ca 0.22 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 3lgg h ILE 75 Cb 0.35 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3lgg h ILE 75 CO -0.47 0.26 -0.48 -0.07 0.00 0.00 0.00 178.15 177.39 3lgg h LEU 76 N 1.29 0.00 -0.83 1.44 3.38 0.47 -2.37 115.31 118.69 3lgg h LEU 76 Ca 0.34 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.35 3lgg h LEU 76 Cb -0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 3lgg h LEU 76 CO -0.07 0.48 0.53 0.03 0.09 0.00 0.00 178.44 179.50 3lgg h ARG 77 N 0.00 0.99 0.00 1.13 2.47 -0.34 -2.74 114.38 115.89 3lgg h ARG 77 Ca -0.00 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 3lgg h ARG 77 Cb 0.85 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3lgg h ARG 77 CO 0.06 0.65 -0.24 0.52 0.56 0.00 0.00 179.97 181.52 3lgg h MET 78 N 1.02 0.00 -6.58 0.04 2.86 -1.25 -3.42 114.93 107.60 3lgg h MET 78 Ca 0.34 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.45 3lgg h MET 78 Cb 0.04 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.72 3lgg h MET 78 CO -0.13 0.24 0.67 1.41 1.06 0.00 0.00 176.91 180.17 3lgg s MET 79 N -3.78 4.36 -0.46 1.72 0.00 -1.04 -4.94 119.30 115.16 3lgg s MET 79 Ca -0.00 2.02 -0.28 0.00 0.00 0.00 0.00 55.69 57.43 3lgg s MET 79 Cb 0.11 -3.25 -0.01 0.00 0.00 0.00 0.00 34.83 31.68 3lgg s MET 79 CO 0.64 -0.35 1.76 -1.25 0.00 0.00 0.00 175.02 175.82 3lgg s PRO 80 N 0.72 3.09 0.00 4.11 0.04 -1.26 -4.73 135.00 136.98 3lgg s PRO 80 Ca 0.61 1.01 0.26 0.00 0.04 0.00 0.00 61.00 62.92 3lgg s PRO 80 Cb -0.35 -4.25 0.60 0.00 0.04 0.00 0.00 34.50 30.54 3lgg s PRO 80 CO 0.32 -2.16 1.47 1.63 0.04 0.00 0.00 177.00 178.30 3lgg n LYS 81 N 8.68 0.47 0.00 4.56 5.02 -0.82 -4.92 118.16 131.15 3lgg n LYS 81 Ca 0.21 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3lgg n LYS 81 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3lgg n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lgg n GLY 82 N 1.41 1.21 3.34 0.72 0.00 -1.26 -4.38 105.19 106.23 3lgg n GLY 82 Ca 0.09 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 3lgg n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lgg s ALA 83 N -1.68 2.13 -0.41 4.61 0.00 -1.26 -1.06 121.76 124.09 3lgg s ALA 83 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 3lgg s ALA 83 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.77 3lgg s ALA 83 CO 0.00 0.48 0.34 0.00 0.00 0.00 0.00 175.76 176.58 3lgg s ALA 84 N -1.00 3.46 -0.42 0.00 0.00 0.03 -4.90 121.76 118.94 3lgg s ALA 84 Ca 0.11 -1.60 0.20 0.00 0.00 0.00 0.00 51.96 50.67 3lgg s ALA 84 Cb -0.10 -2.93 -0.28 0.00 0.00 0.00 0.00 23.12 19.82 3lgg s ALA 84 CO 0.04 -1.45 0.62 1.28 0.00 0.00 0.00 175.76 176.26 3lgg n LEU 85 N 5.32 0.40 -3.90 0.00 4.32 -1.26 -1.58 117.00 120.29 3lgg n LEU 85 Ca -0.10 -0.21 -0.30 0.00 -0.02 0.00 0.00 56.01 55.38 3lgg n LEU 85 Cb 0.47 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.13 3lgg n LEU 85 CO 0.42 0.10 -0.31 -2.28 -1.22 0.00 0.00 177.39 174.10 3lgg s HIS 86 N -3.21 2.95 0.03 -1.77 2.46 -1.26 -4.68 115.29 109.81 3lgg s HIS 86 Ca -0.01 -2.58 -0.08 0.00 0.47 0.00 0.00 55.06 52.85 3lgg s HIS 86 Cb 0.14 -2.47 0.00 0.00 -0.13 0.00 0.00 32.58 30.12 3lgg s HIS 86 CO 0.85 -0.90 0.17 -0.51 -2.47 0.00 0.00 174.74 171.88 3lgg s LEU 87 N 1.00 1.47 0.02 8.88 1.43 -1.25 -1.42 118.68 128.82 3lgg s LEU 87 Ca 0.11 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3lgg s LEU 87 Cb -0.19 0.85 -0.03 0.00 0.03 0.00 0.00 46.19 46.84 3lgg s LEU 87 CO -0.12 -0.52 -0.12 -1.00 0.23 0.00 0.00 176.35 174.82 3lgg s HIS 88 N -2.39 2.74 0.28 0.29 3.76 -0.84 -0.24 115.29 118.90 3lgg s HIS 88 Ca -0.07 -0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 54.67 3lgg s HIS 88 Cb -0.02 -1.54 0.58 0.00 1.11 0.00 0.00 32.58 32.71 3lgg s HIS 88 CO -0.03 0.31 1.58 0.38 -0.85 0.00 0.00 174.74 176.13 3lgg h ASP 89 N 4.53 -0.62 -0.22 1.40 3.04 -1.48 -2.63 116.42 120.44 3lgg h ASP 89 Ca -0.48 0.27 -0.09 0.00 -3.24 0.00 0.00 57.03 53.49 3lgg h ASP 89 Cb 1.16 0.51 -0.05 0.00 -1.04 0.00 0.00 39.33 39.91 3lgg h ASP 89 CO 0.51 -0.31 -0.12 2.30 -2.04 0.00 0.00 179.24 179.58 3lgg n ILE 90 N -5.51 2.34 -1.00 4.15 -5.35 -1.26 -4.54 119.36 108.19 3lgg n ILE 90 Ca 0.19 -2.58 0.08 0.00 -0.27 0.00 0.00 62.75 60.16 3lgg n ILE 90 Cb 0.61 -0.28 0.11 0.00 -1.74 0.00 0.00 39.64 38.34 3lgg n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lgg n GLY 91 N -1.04 4.28 0.30 3.28 0.00 -0.99 -4.83 105.19 106.18 3lgg n GLY 91 Ca 0.26 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.40 3lgg n GLY 91 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3lgg n ILE 92 N -1.21 0.60 -4.51 -0.61 -5.35 -1.26 -1.71 119.36 105.32 3lgg n ILE 92 Ca 0.13 -0.80 -0.26 0.00 -0.27 0.00 0.00 62.75 61.55 3lgg n ILE 92 Cb 0.59 0.75 -0.17 0.00 -1.74 0.00 0.00 39.64 39.08 3lgg n ILE 92 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3lgg s VAL 93 N -0.80 1.23 0.04 7.28 1.01 -1.26 -4.74 120.40 123.16 3lgg s VAL 93 Ca 0.10 -0.51 -0.37 0.00 0.00 0.00 0.00 61.98 61.20 3lgg s VAL 93 Cb 0.06 -1.13 -0.17 0.00 0.00 0.00 0.00 36.38 35.14 3lgg s VAL 93 CO 0.08 0.38 1.40 0.41 0.00 0.00 0.00 175.10 177.37 3lgg n THR 94 N 4.01 0.04 0.26 3.92 -1.04 -1.26 -4.75 114.28 115.46 3lgg n THR 94 Ca -0.21 -0.01 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 3lgg n THR 94 Cb 0.51 -0.89 0.69 0.00 -1.82 0.00 0.00 70.33 68.83 3lgg n THR 94 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3lgg h MET 95 N 4.93 0.00 -0.89 -2.82 2.86 -1.94 -2.84 114.93 114.23 3lgg h MET 95 Ca -0.48 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.32 3lgg h MET 95 Cb 1.33 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.84 3lgg h MET 95 CO 0.80 0.13 -0.32 0.22 1.06 0.00 0.00 176.91 178.80 3lgg h ASP 96 N 0.00 -1.17 0.09 1.22 1.82 -1.96 0.79 116.42 117.20 3lgg h ASP 96 Ca -0.00 0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 56.86 3lgg h ASP 96 Cb 0.38 0.66 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 3lgg h ASP 96 CO 0.02 -0.30 -0.19 -0.25 -1.61 0.00 0.00 179.24 176.91 3lgg h TRP 97 N -0.03 0.20 -0.50 0.28 7.01 -1.87 0.30 115.95 121.34 3lgg h TRP 97 Ca 0.36 -0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.28 3lgg h TRP 97 Cb 0.61 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 3lgg h TRP 97 CO -0.77 0.37 0.12 -0.07 -2.79 0.00 0.00 178.44 175.31 3lgg h LEU 98 N 0.18 0.75 0.10 0.65 3.38 -0.99 -2.02 115.31 117.37 3lgg h LEU 98 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3lgg h LEU 98 Cb 0.44 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3lgg h LEU 98 CO 0.03 0.79 -0.05 0.58 0.09 0.00 0.00 178.44 179.88 3lgg h VAL 99 N 0.68 0.27 -0.38 1.22 2.07 -1.09 -2.09 116.25 116.93 3lgg h VAL 99 Ca 0.16 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.54 3lgg h VAL 99 Cb 0.33 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3lgg h VAL 99 CO 0.00 0.09 -0.06 0.03 0.02 0.00 0.00 177.57 177.65 3lgg h ARG 100 N -1.02 0.64 0.00 1.57 2.47 -1.07 -3.19 114.38 113.78 3lgg h ARG 100 Ca -0.01 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.48 3lgg h ARG 100 Cb 0.25 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3lgg h ARG 100 CO 0.02 0.70 -1.14 -1.71 0.56 0.00 0.00 179.97 178.40 3lgg n ASN 101 N -4.21 1.94 -0.10 7.04 2.85 -0.80 -4.51 115.26 117.46 3lgg n ASN 101 Ca 0.01 0.35 -0.13 0.00 -0.11 0.00 0.00 54.58 54.70 3lgg n ASN 101 Cb 0.31 -0.76 -0.04 0.00 1.24 0.00 0.00 39.78 40.54 3lgg n ASN 101 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3lgg h VAL 102 N -1.00 1.29 0.00 3.44 2.07 -1.15 -2.73 116.25 118.17 3lgg h VAL 102 Ca -0.08 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3lgg h VAL 102 Cb 1.04 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3lgg h VAL 102 CO -0.05 0.46 0.00 0.41 0.02 0.00 0.00 177.57 178.41 3lgg n THR 103 N -4.26 0.89 1.31 2.57 -1.04 -0.82 -2.03 114.28 110.91 3lgg n THR 103 Ca -0.03 0.27 0.13 0.00 -2.04 0.00 0.00 64.05 62.38 3lgg n THR 103 Cb 0.46 -1.18 0.37 0.00 -1.82 0.00 0.00 70.33 68.15 3lgg n THR 103 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3lgg n TYR 104 N -2.10 0.00 -2.82 -1.42 4.02 -1.04 -4.86 117.16 108.94 3lgg n TYR 104 Ca 0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.55 3lgg n TYR 104 Cb 0.20 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 39.44 3lgg n TYR 104 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3lgg s ARG 105 N -2.08 4.47 0.38 -0.72 0.52 -0.86 -5.00 118.95 115.67 3lgg s ARG 105 Ca 0.33 1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 56.52 3lgg s ARG 105 Cb 0.20 -2.67 -0.12 0.00 0.52 0.00 0.00 34.95 32.88 3lgg s ARG 105 CO 0.36 0.22 0.89 -0.35 0.02 0.00 0.00 175.30 176.44 3lgg n PRO 106 N 0.31 1.12 -1.00 3.54 -0.04 -1.26 -3.22 135.00 134.45 3lgg n PRO 106 Ca 0.03 0.40 -0.00 0.00 -0.04 0.00 0.00 63.50 63.89 3lgg n PRO 106 Cb 0.51 -1.84 -0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3lgg n PRO 106 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3lgg n HIS 107 N -0.40 0.00 -2.39 0.54 8.25 -1.26 -4.93 115.22 115.04 3lgg n HIS 107 Ca 0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 3lgg n HIS 107 Cb 0.37 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 3lgg n HIS 107 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3lgg s HIS 109 N 2.83 2.63 0.18 0.00 3.76 0.34 -0.99 115.29 124.04 3lgg s HIS 109 Ca 0.57 -0.21 0.10 0.00 -0.15 0.00 0.00 55.06 55.37 3lgg s HIS 109 Cb -0.25 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3lgg s HIS 109 CO 0.20 0.32 -0.18 -1.50 -0.85 0.00 0.00 174.74 172.73 3lgg s ILE 110 N -1.02 2.69 0.26 0.60 2.07 0.54 -1.82 121.20 124.53 3lgg s ILE 110 Ca 0.17 -1.84 -0.15 0.00 -1.41 0.00 0.00 60.65 57.41 3lgg s ILE 110 Cb -0.11 -2.30 0.00 0.00 0.13 0.00 0.00 42.46 40.19 3lgg s ILE 110 CO 0.08 -0.09 0.54 0.00 -1.91 0.00 0.00 174.94 173.56 3lgg s PHE 112 N -3.98 0.48 0.83 0.00 0.08 -1.26 -2.11 117.98 112.02 3lgg s PHE 112 Ca 0.20 -0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.06 3lgg s PHE 112 Cb -0.02 -0.63 0.06 0.00 -0.57 0.00 0.00 43.02 41.86 3lgg s PHE 112 CO 0.09 -0.24 0.91 2.41 -0.10 0.00 0.00 175.22 178.29 3lgg n THR 113 N 4.82 1.34 -0.42 0.64 -1.04 -0.65 -4.42 114.28 114.56 3lgg n THR 113 Ca -0.13 -0.21 0.36 0.00 -2.04 0.00 0.00 64.05 62.03 3lgg n THR 113 Cb 0.50 -0.97 0.61 0.00 -1.82 0.00 0.00 70.33 68.64 3lgg n THR 113 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3lgg n PRO 114 N -2.60 -0.03 0.07 -2.82 -0.02 -1.26 0.55 135.00 128.89 3lgg n PRO 114 Ca 0.11 1.13 0.13 0.00 -2.02 0.00 0.00 63.50 62.85 3lgg n PRO 114 Cb 0.51 -2.22 0.39 0.00 -0.02 0.00 0.00 33.50 32.16 3lgg n PRO 114 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3lgg n ARG 115 N -4.51 0.21 -0.10 -0.52 1.74 -1.26 -4.93 116.66 107.29 3lgg n ARG 115 Ca 0.36 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3lgg n ARG 115 Cb 1.40 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 3lgg n ARG 115 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lgg n GLY 116 N 1.36 0.95 3.69 -0.13 0.00 0.19 -5.07 105.19 106.18 3lgg n GLY 116 Ca 0.05 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3lgg n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lgg s ILE 117 N -2.00 4.37 0.69 -0.61 1.01 -1.26 -4.75 121.20 118.64 3lgg s ILE 117 Ca 0.00 1.68 -0.16 0.00 0.00 0.00 0.00 60.65 62.17 3lgg s ILE 117 Cb 0.00 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.40 3lgg s ILE 117 CO 0.00 0.02 1.21 -0.32 0.00 0.00 0.00 174.94 175.86 3lgg s MET 118 N 1.95 2.39 -0.15 2.79 -2.45 -1.26 -1.63 119.30 120.94 3lgg s MET 118 Ca 0.55 1.78 -0.30 0.00 -1.25 0.00 0.00 55.69 56.47 3lgg s MET 118 Cb -0.24 -1.86 0.12 0.00 1.25 0.00 0.00 34.83 34.10 3lgg s MET 118 CO 0.22 -1.65 0.95 -1.14 1.05 0.00 0.00 175.02 174.46 3lgg s GLN 119 N -3.75 0.66 0.11 4.11 0.74 -0.90 -4.46 119.66 116.18 3lgg s GLN 119 Ca 0.75 0.19 0.05 0.00 0.05 0.00 0.00 55.36 56.41 3lgg s GLN 119 Cb -0.30 0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 3lgg s GLN 119 CO 0.42 -0.20 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.77 3lgg s PHE 120 N -1.05 1.31 -0.25 1.67 0.08 -1.26 -1.26 117.98 117.23 3lgg s PHE 120 Ca -0.03 -0.57 -0.16 0.00 0.12 0.00 0.00 56.93 56.29 3lgg s PHE 120 Cb -0.01 -0.69 0.07 0.00 -0.57 0.00 0.00 43.02 41.82 3lgg s PHE 120 CO 0.03 0.11 0.62 0.50 -0.10 0.00 0.00 175.22 176.37 3lgg s ARG 121 N -2.63 0.64 -0.18 0.44 3.52 -0.75 -4.28 118.95 115.71 3lgg s ARG 121 Ca 0.07 1.06 -0.22 0.00 -0.13 0.00 0.00 55.73 56.51 3lgg s ARG 121 Cb -0.05 0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3lgg s ARG 121 CO 0.02 -0.14 0.67 -0.06 -0.81 0.00 0.00 175.30 174.98 3lgg s PHE 122 N 1.32 3.40 0.14 5.12 0.40 -1.26 -0.50 117.98 126.60 3lgg s PHE 122 Ca -0.08 1.01 -0.24 0.00 -0.60 0.00 0.00 56.93 57.03 3lgg s PHE 122 Cb -0.06 -2.83 0.07 0.00 0.51 0.00 0.00 43.02 40.71 3lgg s PHE 122 CO -0.14 -0.16 0.60 0.00 0.70 0.00 0.00 175.22 176.22 3lgg s ALA 123 N 1.84 -1.59 -0.17 5.36 0.00 -0.84 -4.76 121.76 121.60 3lgg s ALA 123 Ca 0.31 0.56 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 3lgg s ALA 123 Cb -0.16 0.79 0.08 0.00 0.00 0.00 0.00 23.12 23.82 3lgg s ALA 123 CO 0.11 -0.72 0.36 -1.58 0.00 0.00 0.00 175.76 173.93 3lgg s HIS 124 N -3.48 -0.64 0.00 0.00 2.46 -1.26 -4.59 115.29 107.79 3lgg s HIS 124 Ca -0.00 1.29 0.00 0.00 0.47 0.00 0.00 55.06 56.82 3lgg s HIS 124 Cb -0.01 0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.62 3lgg s HIS 124 CO -0.10 -0.42 0.00 -0.35 -2.47 0.00 0.00 174.74 171.40 3lgg n PRO 125 N 5.24 0.18 -1.66 2.88 -0.04 -1.26 -4.90 135.00 135.44 3lgg n PRO 125 Ca -0.10 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.79 3lgg n PRO 125 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 3lgg n PRO 125 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3lgg n THR 126 N -1.81 0.14 -0.95 0.52 -1.04 -1.26 -4.90 114.28 104.99 3lgg n THR 126 Ca 0.00 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.64 3lgg n THR 126 Cb 0.00 -0.87 0.10 0.00 -1.82 0.00 0.00 70.33 67.73 3lgg n THR 126 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3lgg n PRO 127 N 3.91 -0.10 -2.84 -2.82 -0.02 -1.26 -4.95 135.00 126.92 3lgg n PRO 127 Ca 0.24 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.32 3lgg n PRO 127 Cb 0.12 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3lgg n PRO 127 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3lgg s ARG 128 N -3.18 4.56 -0.24 -0.52 0.52 -1.26 -4.73 118.95 114.10 3lgg s ARG 128 Ca 0.57 1.25 -0.37 0.00 -0.52 0.00 0.00 55.73 56.67 3lgg s ARG 128 Cb -0.25 -3.41 -0.13 0.00 0.52 0.00 0.00 34.95 31.68 3lgg s ARG 128 CO 0.67 0.12 1.93 -2.30 0.02 0.00 0.00 175.30 175.74 3lgg n PRO 129 N 3.32 1.49 -3.32 3.54 -0.02 -1.26 -4.95 135.00 133.79 3lgg n PRO 129 Ca 0.02 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.81 3lgg n PRO 129 Cb 0.50 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3lgg n PRO 129 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3lgg n SER 130 N 7.21 2.40 -2.44 2.55 3.41 -0.89 -5.00 113.62 120.87 3lgg n SER 130 Ca 0.30 -2.41 -0.24 0.00 -0.26 0.00 0.00 58.87 56.26 3lgg n SER 130 Cb 0.22 0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3lgg n SER 130 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3lgg n GLU 131 N -1.33 2.44 0.00 4.33 1.02 -1.26 -2.38 120.64 123.46 3lgg n GLU 131 Ca -0.04 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 3lgg n GLU 131 Cb 0.45 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 3lgg n GLU 131 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3lgg n LYS 132 N 1.36 0.00 -3.15 3.49 4.76 -1.26 -5.03 118.16 118.34 3lgg n LYS 132 Ca 0.49 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.97 3lgg n LYS 132 Cb 0.62 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.81 3lgg n LYS 132 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lgg h SER 134 N 7.79 0.42 -3.58 0.00 4.64 -1.77 -2.37 113.55 118.68 3lgg h SER 134 Ca -0.07 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 3lgg h SER 134 Cb 1.18 -0.11 -0.24 0.00 -0.31 0.00 0.00 62.40 62.91 3lgg h SER 134 CO 0.08 0.67 -0.20 -0.54 -0.87 0.00 0.00 176.83 175.97 3lgg s LYS 135 N -4.48 0.51 0.07 4.77 -0.14 -1.26 -4.71 119.74 114.50 3lgg s LYS 135 Ca -0.06 0.75 -0.11 0.00 -1.36 0.00 0.00 55.97 55.19 3lgg s LYS 135 Cb 0.14 0.15 -0.06 0.00 -1.68 0.00 0.00 37.83 36.38 3lgg s LYS 135 CO 0.78 -0.11 0.41 -1.58 -0.76 0.00 0.00 175.35 174.09 3lgg s TRP 136 N 0.78 3.60 -0.06 3.18 0.52 -1.26 -4.58 118.94 121.12 3lgg s TRP 136 Ca -0.04 0.82 -0.01 0.00 0.02 0.00 0.00 56.10 56.89 3lgg s TRP 136 Cb -0.05 -2.18 0.03 0.00 -1.15 0.00 0.00 33.47 30.11 3lgg s TRP 136 CO -0.06 0.53 -0.00 0.42 0.02 0.00 0.00 176.95 177.86 3lgg s ILE 137 N -1.37 0.32 0.16 2.03 1.01 -0.47 -4.96 121.20 117.93 3lgg s ILE 137 Ca 0.32 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.76 3lgg s ILE 137 Cb -0.14 -0.46 -0.10 0.00 0.01 0.00 0.00 42.46 41.77 3lgg s ILE 137 CO 0.18 0.23 1.61 -0.22 0.00 0.00 0.00 174.94 176.74 3lgg s LEU 138 N 1.66 4.37 0.36 2.97 2.96 -1.26 -0.33 118.68 129.41 3lgg s LEU 138 Ca -0.00 2.66 0.06 0.00 -0.22 0.00 0.00 54.13 56.63 3lgg s LEU 138 Cb -0.13 -3.59 0.75 0.00 0.50 0.00 0.00 46.19 43.73 3lgg s LEU 138 CO -0.04 -0.86 1.96 -0.07 -1.32 0.00 0.00 176.35 176.02 3lgg h LEU 139 N 7.00 0.65 -1.64 -0.68 -0.00 -1.41 -1.88 115.31 117.35 3lgg h LEU 139 Ca -0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.42 3lgg h LEU 139 Cb 1.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 3lgg h LEU 139 CO 0.93 0.42 -0.19 -0.33 -0.00 0.00 0.00 178.44 179.26 3lgg h GLU 140 N 0.74 0.00 -0.03 1.13 5.08 -1.90 -1.25 114.58 118.36 3lgg h GLU 140 Ca 0.31 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 3lgg h GLU 140 Cb 0.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.53 3lgg h GLU 140 CO -0.10 0.19 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.20 3lgg h ASP 141 N 0.00 0.45 -0.87 1.42 3.32 -1.75 -3.30 116.42 115.68 3lgg h ASP 141 Ca -0.00 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.32 3lgg h ASP 141 Cb 0.35 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3lgg h ASP 141 CO 0.02 1.11 0.56 0.22 -1.72 0.00 0.00 179.24 179.44 3lgg h TYR 142 N -0.18 1.12 0.00 4.55 3.20 -0.93 -2.31 116.97 122.42 3lgg h TYR 142 Ca -0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3lgg h TYR 142 Cb 1.16 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3lgg h TYR 142 CO 0.15 0.72 -0.29 0.00 -1.64 0.00 0.00 178.16 177.09 3lgg h ARG 143 N 1.19 0.00 -0.07 1.82 3.08 -1.38 -2.95 114.38 116.07 3lgg h ARG 143 Ca 0.32 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.18 3lgg h ARG 143 Cb -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3lgg h ARG 143 CO -0.07 0.29 -0.74 0.87 -1.07 0.00 0.00 179.97 179.25 3lgg h LYS 144 N 0.00 0.41 -0.00 0.04 1.57 -1.49 -3.30 116.57 113.80 3lgg h LYS 144 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3lgg h LYS 144 Cb 0.84 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3lgg h LYS 144 CO 0.04 0.98 -0.13 0.54 -0.57 0.00 0.00 179.45 180.31 3lgg n ARG 145 N -3.83 0.07 -3.68 3.15 1.74 -1.11 -4.87 116.66 108.12 3lgg n ARG 145 Ca -0.04 -0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.66 3lgg n ARG 145 Cb 0.72 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3lgg n ARG 145 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3lgg s VAL 146 N -2.94 5.23 0.04 1.55 -7.23 -1.18 -5.03 120.40 110.84 3lgg s VAL 146 Ca 0.15 0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 60.43 3lgg s VAL 146 Cb 0.19 -3.59 -0.16 0.00 0.56 0.00 0.00 36.38 33.38 3lgg s VAL 146 CO 0.56 0.45 1.38 1.56 -0.31 0.00 0.00 175.10 178.75 3lgg h GLN 147 N 4.30 -1.00 -4.46 4.82 7.50 -1.90 -3.40 115.11 120.98 3lgg h GLN 147 Ca -0.51 0.07 -0.72 0.00 0.50 0.00 0.00 58.65 57.99 3lgg h GLN 147 Cb 1.21 0.23 -0.27 0.00 0.05 0.00 0.00 27.48 28.70 3lgg h GLN 147 CO 0.63 -0.66 -0.46 1.21 -1.50 0.00 0.00 178.83 178.05 3lgg s ASN 148 N -3.65 5.71 0.13 1.46 3.84 -1.26 -4.96 114.94 116.21 3lgg s ASN 148 Ca -0.15 -1.40 -0.12 0.00 0.21 0.00 0.00 52.86 51.39 3lgg s ASN 148 Cb 0.02 -2.02 -0.06 0.00 -0.55 0.00 0.00 41.25 38.64 3lgg s ASN 148 CO 0.45 -0.53 1.45 1.62 -2.79 0.00 0.00 177.10 177.30 3lgg h VAL 149 N 6.01 1.28 0.00 -5.21 3.04 -1.89 -2.71 116.25 116.77 3lgg h VAL 149 Ca -0.24 -1.55 -0.04 0.00 -1.01 0.00 0.00 66.70 63.87 3lgg h VAL 149 Cb 1.09 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.84 3lgg h VAL 149 CO 0.76 0.51 -0.17 0.71 -1.01 0.00 0.00 177.57 178.37 3lgg h THR 150 N 0.65 1.07 -0.01 3.17 1.35 -1.98 -1.00 112.91 116.16 3lgg h THR 150 Ca 0.05 -0.59 -0.22 0.00 -0.55 0.00 0.00 66.41 65.10 3lgg h THR 150 Cb 0.96 1.32 0.02 0.00 -1.73 0.00 0.00 68.15 68.72 3lgg h THR 150 CO 0.09 0.16 -0.86 -0.08 -0.25 0.00 0.00 175.52 174.58 3lgg h GLU 151 N 0.00 0.61 -0.93 4.72 4.57 -1.97 -2.30 114.58 119.27 3lgg h GLU 151 Ca -0.00 -0.64 0.02 0.00 -1.18 0.00 0.00 59.36 57.56 3lgg h GLU 151 Cb 0.31 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 3lgg h GLU 151 CO 0.02 1.24 0.61 0.35 -1.18 0.00 0.00 179.01 180.06 3lgg h PHE 152 N 0.23 1.16 -0.31 0.92 3.57 -1.13 -1.37 116.94 120.01 3lgg h PHE 152 Ca -0.10 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 3lgg h PHE 152 Cb 1.53 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3lgg h PHE 152 CO 0.12 0.71 0.04 -0.44 -2.23 0.00 0.00 178.31 176.50 3lgg h ASP 153 N 1.23 0.51 -0.22 0.41 3.32 -1.22 -2.75 116.42 117.70 3lgg h ASP 153 Ca 0.35 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3lgg h ASP 153 Cb -0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3lgg h ASP 153 CO -0.09 0.66 0.13 0.44 -1.72 0.00 0.00 179.24 178.65 3lgg h ASP 154 N 0.35 0.28 0.85 6.45 3.32 -1.17 -1.50 116.42 124.99 3lgg h ASP 154 Ca 0.09 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3lgg h ASP 154 Cb 0.37 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3lgg h ASP 154 CO 0.01 0.24 -0.30 0.77 -1.72 0.00 0.00 179.24 178.24 3lgg h SER 155 N 0.33 0.00 -0.08 6.45 4.64 -1.04 -0.97 113.55 122.88 3lgg h SER 155 Ca 0.09 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 3lgg h SER 155 Cb 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3lgg h SER 155 CO -0.01 0.30 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.49 3lgg h LEU 156 N 0.00 0.74 -1.15 5.97 3.38 -1.02 -2.97 115.31 120.26 3lgg h LEU 156 Ca -0.00 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 3lgg h LEU 156 Cb 0.80 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3lgg h LEU 156 CO 0.04 1.30 0.36 0.25 0.09 0.00 0.00 178.44 180.48 3lgg h LEU 157 N 0.23 0.85 -0.92 1.67 6.46 -0.99 -2.16 115.31 120.45 3lgg h LEU 157 Ca -0.06 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3lgg h LEU 157 Cb 1.33 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 3lgg h LEU 157 CO 0.14 0.70 0.00 0.03 -0.62 0.00 0.00 178.44 178.68 3lgg h ARG 158 N 0.95 0.00 -0.00 1.25 3.08 -1.24 -2.73 114.38 115.69 3lgg h ARG 158 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3lgg h ARG 158 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3lgg h ARG 158 CO -0.04 0.00 -0.53 -1.71 -1.07 0.00 0.00 179.97 176.63 3lgg n ASN 159 N -2.88 0.85 -0.23 7.04 2.85 -0.84 -4.18 115.26 117.86 3lgg n ASN 159 Ca 0.02 -0.65 0.10 0.00 -0.11 0.00 0.00 54.58 53.94 3lgg n ASN 159 Cb 0.35 0.38 -0.06 0.00 1.24 0.00 0.00 39.78 41.68 3lgg n ASN 159 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3lgg n PHE 160 N -1.16 0.00 -4.29 1.20 3.01 -1.02 -4.79 117.46 110.40 3lgg n PHE 160 Ca 0.07 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.38 3lgg n PHE 160 Cb 0.35 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.72 3lgg n PHE 160 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3lgg s THR 161 N -2.67 0.44 -0.56 4.37 -4.23 -1.21 -4.79 115.64 106.99 3lgg s THR 161 Ca 0.12 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.87 3lgg s THR 161 Cb 0.16 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 71.43 3lgg s THR 161 CO 0.70 -0.00 1.27 -0.07 -0.54 0.00 0.00 174.62 175.97 3lgg h LEU 162 N 2.43 0.00 -9.34 4.79 3.38 -1.54 -3.47 115.31 111.57 3lgg h LEU 162 Ca -0.38 -0.18 -0.65 0.00 0.09 0.00 0.00 57.88 56.77 3lgg h LEU 162 Cb 1.25 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.05 3lgg h LEU 162 CO 0.59 0.09 0.56 0.52 0.09 0.00 0.00 178.44 180.29 3lgg n VAL 163 N -2.24 0.00 -3.49 1.22 0.31 -1.26 -4.96 118.33 107.92 3lgg n VAL 163 Ca 0.03 -0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 3lgg n VAL 163 Cb 0.46 -1.04 -0.03 0.00 -0.91 0.00 0.00 33.84 32.32 3lgg n VAL 163 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3lgg s THR 164 N 0.64 0.00 0.58 2.52 -1.32 -1.26 -5.01 115.64 111.79 3lgg s THR 164 Ca 0.83 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 61.15 3lgg s THR 164 Cb -0.87 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.08 3lgg s THR 164 CO 0.44 0.00 1.06 -1.10 -2.21 0.00 0.00 174.62 172.81 3lgg s GLN 165 N -2.68 3.36 -1.24 7.08 -0.21 -1.26 -4.27 119.66 120.45 3lgg s GLN 165 Ca -0.00 1.22 -0.14 0.00 0.02 0.00 0.00 55.36 56.46 3lgg s GLN 165 Cb -0.01 -2.04 -0.00 0.00 1.00 0.00 0.00 33.01 31.96 3lgg s GLN 165 CO -0.05 -0.78 0.66 0.72 -2.12 0.00 0.00 175.29 173.72 3lgg n HIS 166 N -1.93 -1.79 0.30 0.91 8.25 -1.26 -4.83 115.22 114.88 3lgg n HIS 166 Ca 0.09 0.54 0.18 0.00 -0.26 0.00 0.00 57.72 58.26 3lgg n HIS 166 Cb 0.53 -3.54 0.92 0.00 1.12 0.00 0.00 29.99 29.02 3lgg n HIS 166 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3lgg h PRO 167 N -1.92 0.00 0.00 -0.41 0.13 -1.97 -1.70 132.00 126.12 3lgg h PRO 167 Ca -0.66 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.42 3lgg h PRO 167 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 3lgg h PRO 167 CO 0.53 0.04 -0.25 1.05 -0.23 0.00 0.00 178.00 179.14 3lgg h GLU 168 N 0.00 0.00 0.10 0.86 9.09 -1.89 -0.86 114.58 121.89 3lgg h GLU 168 Ca -0.00 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 59.08 3lgg h GLU 168 Cb 0.22 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.31 3lgg h GLU 168 CO 0.00 0.25 -1.81 0.28 0.05 0.00 0.00 179.01 177.79 3lgg h VAL 169 N 0.00 0.72 -0.07 -1.06 2.07 -1.70 -3.40 116.25 112.81 3lgg h VAL 169 Ca -0.00 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 3lgg h VAL 169 Cb 0.46 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3lgg h VAL 169 CO 0.03 0.77 0.00 0.40 0.02 0.00 0.00 177.57 178.79 3lgg h ILE 170 N -0.17 1.24 -3.59 4.57 1.08 -1.38 -3.37 117.51 115.89 3lgg h ILE 170 Ca -0.40 -0.76 -0.75 0.00 -0.39 0.00 0.00 64.86 62.57 3lgg h ILE 170 Cb 1.87 1.62 -0.31 0.00 -3.07 0.00 0.00 36.82 36.93 3lgg h ILE 170 CO 0.03 0.21 -0.02 -0.31 -0.69 0.00 0.00 178.15 177.37 3lgg s TYR 171 N -5.00 3.77 0.32 1.37 2.02 -0.33 -4.91 117.35 114.58 3lgg s TYR 171 Ca -0.14 -2.55 0.06 0.00 -0.37 0.00 0.00 57.07 54.07 3lgg s TYR 171 Cb 0.04 -3.51 0.54 0.00 -0.40 0.00 0.00 41.96 38.63 3lgg s TYR 171 CO 0.69 -0.88 1.77 1.79 -1.57 0.00 0.00 175.55 177.35 3lgg h THR 172 N 4.58 1.26 -4.19 -0.71 1.35 -1.76 -3.43 112.91 110.01 3lgg h THR 172 Ca 0.10 -1.25 -0.34 0.00 -0.55 0.00 0.00 66.41 64.37 3lgg h THR 172 Cb 0.94 1.47 -0.09 0.00 -1.73 0.00 0.00 68.15 68.73 3lgg h THR 172 CO 0.80 0.38 -0.28 -0.46 -0.25 0.00 0.00 175.52 175.72 3lgg n ASN 173 N -4.12 -0.92 0.17 5.36 0.23 -1.26 -5.06 115.26 109.65 3lgg n ASN 173 Ca -0.01 -2.83 0.02 0.00 -0.53 0.00 0.00 54.58 51.23 3lgg n ASN 173 Cb 0.40 1.88 0.26 0.00 -2.08 0.00 0.00 39.78 40.24 3lgg n ASN 173 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3lgg h GLN 174 N 0.00 0.00 -0.26 -3.83 4.20 -1.89 -2.70 115.11 110.64 3lgg h GLN 174 Ca -0.23 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 3lgg h GLN 174 Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 3lgg h GLN 174 CO 0.32 0.48 -0.39 -0.91 -0.67 0.00 0.00 178.83 177.66 3lgg h ASN 175 N 0.00 0.79 -0.24 1.46 2.35 -1.97 -2.19 115.58 115.78 3lgg h ASN 175 Ca -0.00 -0.52 -0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3lgg h ASN 175 Cb 0.97 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3lgg h ASN 175 CO 0.06 1.15 0.14 0.58 -1.65 0.00 0.00 177.43 177.71 3lgg h VAL 176 N 0.45 1.10 -0.65 2.81 2.07 -1.94 0.29 116.25 120.38 3lgg h VAL 176 Ca 0.02 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3lgg h VAL 176 Cb 0.98 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3lgg h VAL 176 CO 0.09 0.10 0.23 1.62 0.02 0.00 0.00 177.57 179.63 3lgg h VAL 177 N 0.28 1.23 -0.11 2.57 3.04 -1.51 -1.60 116.25 120.16 3lgg h VAL 177 Ca 0.08 -0.77 -0.13 0.00 -1.01 0.00 0.00 66.70 64.87 3lgg h VAL 177 Cb 0.04 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 3lgg h VAL 177 CO -0.01 0.30 -0.51 -0.50 -1.01 0.00 0.00 177.57 175.84 3lgg h TRP 178 N 0.95 0.36 -0.00 3.17 4.06 -1.16 -0.17 115.95 123.15 3lgg h TRP 178 Ca 0.22 -0.12 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 3lgg h TRP 178 Cb 0.23 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 3lgg h TRP 178 CO 0.02 0.75 0.00 1.03 -3.56 0.00 0.00 178.44 176.68 3lgg h SER 179 N 0.23 0.01 -0.47 -3.49 0.87 -0.47 -1.71 113.55 108.53 3lgg h SER 179 Ca 0.01 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 3lgg h SER 179 Cb 0.98 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 3lgg h SER 179 CO 0.08 0.05 0.09 0.11 -0.53 0.00 0.00 176.83 176.63 3lgg h LYS 180 N -0.04 0.76 -0.01 2.24 1.79 -1.20 -2.19 116.57 117.92 3lgg h LYS 180 Ca 0.00 -0.19 0.02 0.00 -2.18 0.00 0.00 60.65 58.30 3lgg h LYS 180 Cb 0.04 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 3lgg h LYS 180 CO -0.00 0.76 -0.52 0.35 -1.08 0.00 0.00 179.45 178.96 3lgg h PHE 181 N 0.63 -1.52 -0.74 -1.35 3.57 -0.93 -1.38 116.94 115.22 3lgg h PHE 181 Ca 0.14 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3lgg h PHE 181 Cb 0.36 0.67 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 3lgg h PHE 181 CO 0.02 -0.55 0.41 1.49 -2.23 0.00 0.00 178.31 177.45 3lgg h GLU 182 N -0.64 1.01 -0.83 1.11 4.57 -1.33 -2.24 114.58 116.23 3lgg h GLU 182 Ca 0.01 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3lgg h GLU 182 Cb 0.69 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 3lgg h GLU 182 CO -0.35 0.74 0.55 1.15 -1.18 0.00 0.00 179.01 179.91 3lgg h THR 183 N 1.02 1.18 -0.03 0.32 2.02 -0.99 -1.31 112.91 115.13 3lgg h THR 183 Ca 0.26 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3lgg h THR 183 Cb 0.01 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3lgg h THR 183 CO -0.04 0.20 0.02 0.40 0.37 0.00 0.00 175.52 176.46 3lgg h ILE 184 N 1.09 1.01 -0.57 3.11 2.04 -0.64 -0.55 117.51 123.00 3lgg h ILE 184 Ca 0.31 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.24 3lgg h ILE 184 Cb -0.07 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 3lgg h ILE 184 CO -0.08 0.01 0.16 -0.26 0.00 0.00 0.00 178.15 177.98 3lgg h PHE 185 N 0.03 0.27 -0.38 1.37 0.04 -1.25 -1.21 116.94 115.81 3lgg h PHE 185 Ca 0.01 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3lgg h PHE 185 Cb 0.00 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3lgg h PHE 185 CO -0.07 0.03 0.20 0.35 -0.60 0.00 0.00 178.31 178.22 3lgg h PHE 186 N 0.31 0.38 0.33 -0.55 3.04 -0.99 -2.33 116.94 117.13 3lgg h PHE 186 Ca 0.29 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.24 3lgg h PHE 186 Cb 0.39 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.79 3lgg h PHE 186 CO -0.21 0.21 -0.16 1.15 -2.02 0.00 0.00 178.31 177.29 3lgg h THR 187 N 0.42 0.70 0.00 4.41 2.02 -0.35 -3.05 112.91 117.06 3lgg h THR 187 Ca 0.15 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3lgg h THR 187 Cb 0.04 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3lgg h THR 187 CO -0.09 0.05 0.00 2.30 0.37 0.00 0.00 175.52 178.15 3lgg n ILE 188 N -5.22 0.41 0.01 3.11 -5.35 -0.53 -3.92 119.36 107.87 3lgg n ILE 188 Ca -0.10 0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 3lgg n ILE 188 Cb 0.23 -0.72 -0.06 0.00 -1.74 0.00 0.00 39.64 37.35 3lgg n ILE 188 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3lgg h SER 189 N 0.00 -0.01 0.11 7.28 0.87 -1.30 -2.49 113.55 118.02 3lgg h SER 189 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3lgg h SER 189 Cb 0.34 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3lgg h SER 189 CO 0.00 0.01 -0.07 1.23 -0.53 0.00 0.00 176.83 177.47 3lgg h GLY 190 N 0.04 0.00 0.61 5.77 0.00 -1.75 -1.92 103.07 105.82 3lgg h GLY 190 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3lgg h GLY 190 CO -0.04 0.00 -0.13 1.41 0.00 0.00 0.00 176.54 177.78 3lgg h LEU 191 N 0.00 0.24 -0.16 3.11 3.38 -1.69 -3.36 115.31 116.83 3lgg h LEU 191 Ca -0.00 -0.56 -0.18 0.00 0.09 0.00 0.00 57.88 57.24 3lgg h LEU 191 Cb 0.15 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3lgg h LEU 191 CO 0.01 0.75 -0.85 0.40 0.09 0.00 0.00 178.44 178.83 3lgg h ILE 192 N -0.26 1.54 -0.15 1.22 2.04 -1.01 -3.29 117.51 117.60 3lgg h ILE 192 Ca 0.00 -2.99 0.00 0.00 1.00 0.00 0.00 64.86 62.87 3lgg h ILE 192 Cb 0.70 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 3lgg h ILE 192 CO 0.03 0.84 0.00 1.41 0.00 0.00 0.00 178.15 180.42 3lgg n HIS 193 N -3.42 0.19 -2.68 1.37 8.25 -0.77 -2.65 115.22 115.52 3lgg n HIS 193 Ca 0.00 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 3lgg n HIS 193 Cb 0.85 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.93 3lgg n HIS 193 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3lgg s TYR 194 N -1.81 3.54 0.20 4.41 5.04 -1.24 -0.47 117.35 127.01 3lgg s TYR 194 Ca 0.29 1.60 -0.19 0.00 -2.44 0.00 0.00 57.07 56.34 3lgg s TYR 194 Cb 0.15 -3.18 0.16 0.00 0.35 0.00 0.00 41.96 39.44 3lgg s TYR 194 CO 0.23 -0.22 1.59 0.00 -1.34 0.00 0.00 175.55 175.81 3lgg h ALA 195 N 7.04 0.09 0.00 3.97 0.00 -1.40 -0.06 119.26 128.89 3lgg h ALA 195 Ca -0.33 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3lgg h ALA 195 Cb 1.16 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 3lgg h ALA 195 CO 0.83 -0.61 -0.13 -1.00 0.00 0.00 0.00 179.25 178.35 3lgg h PRO 196 N -0.12 0.00 -0.18 0.00 0.13 -1.93 -2.46 132.00 127.44 3lgg h PRO 196 Ca 0.26 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.24 3lgg h PRO 196 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3lgg h PRO 196 CO -0.68 0.13 -0.48 0.28 -0.23 0.00 0.00 178.00 177.01 3lgg h VAL 197 N 0.00 1.33 -0.23 1.56 2.07 -1.38 -2.92 116.25 116.67 3lgg h VAL 197 Ca -0.00 -1.73 0.06 0.00 0.82 0.00 0.00 66.70 65.85 3lgg h VAL 197 Cb 0.73 1.94 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 3lgg h VAL 197 CO 0.02 0.54 -0.21 0.15 0.02 0.00 0.00 177.57 178.08 3lgg h PHE 198 N 0.32 -0.56 -0.43 1.57 3.57 -0.74 0.79 116.94 121.47 3lgg h PHE 198 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 3lgg h PHE 198 Cb 1.10 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 40.08 3lgg h PHE 198 CO 0.09 -0.29 0.18 0.00 -2.23 0.00 0.00 178.31 176.07 3lgg h ARG 199 N -0.22 0.36 -0.69 1.11 3.08 -1.54 -1.29 114.38 115.19 3lgg h ARG 199 Ca 0.13 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3lgg h ARG 199 Cb 0.42 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3lgg h ARG 199 CO -0.36 0.24 0.21 -0.44 -1.07 0.00 0.00 179.97 178.54 3lgg h ASP 200 N 0.37 1.02 0.27 7.04 3.32 -1.10 -1.94 116.42 125.39 3lgg h ASP 200 Ca 0.19 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3lgg h ASP 200 Cb 0.14 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3lgg h ASP 200 CO -0.16 0.96 -0.21 0.22 -1.72 0.00 0.00 179.24 178.33 3lgg h TYR 201 N 1.02 -0.56 -0.24 4.55 5.03 0.90 0.70 116.97 128.37 3lgg h TYR 201 Ca 0.22 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.58 3lgg h TYR 201 Cb 0.32 0.21 -0.05 0.00 1.55 0.00 0.00 36.73 38.76 3lgg h TYR 201 CO 0.02 -0.32 -0.06 0.28 -1.32 0.00 0.00 178.16 176.76 3lgg h VAL 202 N -0.49 0.75 -0.61 1.81 2.07 -1.15 -1.09 116.25 117.54 3lgg h VAL 202 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3lgg h VAL 202 Cb 0.43 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3lgg h VAL 202 CO -0.02 0.00 0.37 0.15 0.02 0.00 0.00 177.57 178.09 3lgg h PHE 203 N -0.00 0.69 -0.44 1.57 3.04 -1.22 -2.78 116.94 117.78 3lgg h PHE 203 Ca 0.12 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.00 3lgg h PHE 203 Cb 0.18 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3lgg h PHE 203 CO -0.25 0.39 -0.10 -0.09 -2.02 0.00 0.00 178.31 176.24 3lgg h ARG 204 N 0.72 0.79 -0.39 1.11 2.43 -0.36 -1.72 114.38 116.96 3lgg h ARG 204 Ca 0.25 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3lgg h ARG 204 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3lgg h ARG 204 CO -0.11 0.86 0.16 0.66 -1.51 0.00 0.00 179.97 180.04 3lgg h SER 205 N 0.72 0.49 -0.38 -3.80 4.64 -0.96 0.13 113.55 114.39 3lgg h SER 205 Ca 0.12 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.30 3lgg h SER 205 Cb 0.57 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3lgg h SER 205 CO 0.04 0.44 -0.16 0.24 -0.87 0.00 0.00 176.83 176.52 3lgg h MET 206 N 0.55 0.78 -0.28 4.77 2.86 -1.22 -2.13 114.93 120.26 3lgg h MET 206 Ca 0.14 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 3lgg h MET 206 Cb 0.10 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 3lgg h MET 206 CO -0.02 0.95 -0.02 1.96 1.06 0.00 0.00 176.91 180.84 3lgg h GLN 207 N 0.58 0.06 -0.60 1.72 4.20 -0.40 0.27 115.11 120.94 3lgg h GLN 207 Ca 0.09 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3lgg h GLN 207 Cb 0.70 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3lgg h GLN 207 CO 0.05 0.04 0.07 0.93 -0.67 0.00 0.00 178.83 179.24 3lgg h GLU 208 N 0.06 1.02 -0.07 1.46 5.08 -0.76 0.12 114.58 121.48 3lgg h GLU 208 Ca 0.14 -0.29 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 3lgg h GLU 208 Cb 0.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3lgg h GLU 208 CO -0.25 0.97 -0.78 0.74 -1.00 0.00 0.00 179.01 178.69 3lgg h PHE 209 N 0.92 0.64 -0.57 4.33 0.04 -1.27 -2.36 116.94 118.67 3lgg h PHE 209 Ca 0.18 -0.30 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 3lgg h PHE 209 Cb 0.47 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3lgg h PHE 209 CO 0.03 1.08 0.20 -0.92 -0.60 0.00 0.00 178.31 178.11 3lgg h TYR 210 N 0.31 0.89 -0.10 -0.55 3.20 -0.29 -0.15 116.97 120.28 3lgg h TYR 210 Ca -0.04 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.75 3lgg h TYR 210 Cb 1.38 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 3lgg h TYR 210 CO 0.05 0.74 0.07 1.49 -1.64 0.00 0.00 178.16 178.87 3lgg h GLU 211 N 0.79 0.11 -0.17 1.82 4.22 -0.73 -0.88 114.58 119.73 3lgg h GLU 211 Ca 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.62 3lgg h GLU 211 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3lgg h GLU 211 CO -0.01 0.07 0.00 -3.47 -2.18 0.00 0.00 179.01 173.42 3lgg n ASP 212 N -4.52 1.17 -2.26 1.04 2.03 -0.81 -4.90 116.55 108.30 3lgg n ASP 212 Ca -0.01 -1.81 -0.14 0.00 0.52 0.00 0.00 54.79 53.34 3lgg n ASP 212 Cb 0.10 -0.11 0.04 0.00 -0.72 0.00 0.00 41.12 40.43 3lgg n ASP 212 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3lgg n ASN 213 N 0.06 -4.54 -4.38 1.67 2.85 -0.34 -4.77 115.26 105.81 3lgg n ASN 213 Ca 0.11 -0.30 -0.33 0.00 -0.11 0.00 0.00 54.58 53.96 3lgg n ASN 213 Cb 0.22 -3.16 -0.14 0.00 1.24 0.00 0.00 39.78 37.93 3lgg n ASN 213 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3lgg s VAL 214 N -3.15 2.99 -0.72 3.44 1.01 -0.13 -1.94 120.40 121.90 3lgg s VAL 214 Ca 0.32 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.72 3lgg s VAL 214 Cb -0.14 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.93 3lgg s VAL 214 CO 0.40 0.54 0.55 0.18 0.00 0.00 0.00 175.10 176.77 3lgg n LEU 215 N 3.28 0.82 -3.77 3.92 4.77 -0.23 -3.49 117.00 122.30 3lgg n LEU 215 Ca -0.18 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.07 3lgg n LEU 215 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3lgg n LEU 215 CO 0.29 0.18 -0.02 -0.47 -1.33 0.00 0.00 177.39 176.05 3lgg s TYR 216 N -1.81 -0.22 -0.03 -1.77 5.04 -1.22 -0.78 117.35 116.56 3lgg s TYR 216 Ca 0.06 0.46 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 3lgg s TYR 216 Cb 0.09 0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.51 3lgg s TYR 216 CO 0.38 -0.29 0.01 -1.64 -1.34 0.00 0.00 175.55 172.68 3lgg s MET 217 N -0.72 0.22 -0.16 4.97 -1.94 -1.07 -0.79 119.30 119.81 3lgg s MET 217 Ca -0.08 0.11 -0.02 0.00 -1.71 0.00 0.00 55.69 53.99 3lgg s MET 217 Cb -0.04 -0.44 -0.01 0.00 2.01 0.00 0.00 34.83 36.35 3lgg s MET 217 CO 0.02 -0.15 -0.10 -1.21 -0.01 0.00 0.00 175.02 173.57 3lgg s GLU 218 N 1.09 3.39 -0.15 2.03 2.02 -0.61 -1.46 118.70 125.01 3lgg s GLU 218 Ca -0.09 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.26 3lgg s GLU 218 Cb -0.13 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.33 3lgg s GLU 218 CO -0.02 0.07 -0.20 0.42 0.02 0.00 0.00 175.26 175.55 3lgg s ILE 219 N 0.74 2.21 -0.24 -1.63 1.01 -0.58 -3.79 121.20 118.92 3lgg s ILE 219 Ca -0.04 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3lgg s ILE 219 Cb -0.15 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3lgg s ILE 219 CO 0.02 0.54 1.44 -0.13 0.00 0.00 0.00 174.94 176.80 3lgg s ARG 220 N 0.84 3.91 -0.10 2.79 3.00 0.67 -0.31 118.95 129.75 3lgg s ARG 220 Ca -0.06 1.50 0.02 0.00 0.00 0.00 0.00 55.73 57.19 3lgg s ARG 220 Cb -0.15 -3.93 0.02 0.00 0.00 0.00 0.00 34.95 30.88 3lgg s ARG 220 CO -0.02 -1.13 -0.14 0.00 0.00 0.00 0.00 175.30 174.01 3lgg s ALA 221 N 4.59 1.58 0.16 2.13 0.00 0.05 -1.15 121.76 129.12 3lgg s ALA 221 Ca 0.63 -0.66 0.25 0.00 0.00 0.00 0.00 51.96 52.19 3lgg s ALA 221 Cb -0.21 -0.79 1.03 0.00 0.00 0.00 0.00 23.12 23.15 3lgg s ALA 221 CO 0.25 -0.07 1.87 0.00 0.00 0.00 0.00 175.76 177.81 3lgg h ARG 222 N 7.39 0.00 -6.19 0.00 2.47 -1.87 -1.42 114.38 114.76 3lgg h ARG 222 Ca -0.31 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 57.97 3lgg h ARG 222 Cb 1.17 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.51 3lgg h ARG 222 CO 0.48 0.19 -0.81 1.28 0.56 0.00 0.00 179.97 181.67 3lgg n LEU 223 N -3.38 -2.85 -4.73 3.04 4.77 -1.26 -4.78 117.00 107.81 3lgg n LEU 223 Ca -0.00 -0.82 -0.33 0.00 -0.03 0.00 0.00 56.01 54.84 3lgg n LEU 223 Cb 0.39 -2.60 0.10 0.00 -2.33 0.00 0.00 43.42 38.99 3lgg n LEU 223 CO 0.32 0.43 0.75 -0.76 -1.33 0.00 0.00 177.39 176.80 3lgg s LEU 224 N -6.92 3.19 0.14 2.23 2.01 -1.26 -4.61 118.68 113.45 3lgg s LEU 224 Ca 0.25 2.18 -0.31 0.00 0.01 0.00 0.00 54.13 56.26 3lgg s LEU 224 Cb -0.12 -4.57 -0.10 0.00 0.01 0.00 0.00 46.19 41.40 3lgg s LEU 224 CO 0.82 -2.31 1.77 -2.16 1.01 0.00 0.00 176.35 175.48 3lgg s PRO 225 N -4.24 4.15 0.13 1.29 0.04 -1.26 -4.95 135.00 130.15 3lgg s PRO 225 Ca 0.70 2.55 -0.20 0.00 0.04 0.00 0.00 61.00 64.09 3lgg s PRO 225 Cb -0.25 -3.45 -0.07 0.00 0.04 0.00 0.00 34.50 30.77 3lgg s PRO 225 CO 0.49 -0.79 0.64 0.08 0.04 0.00 0.00 177.00 177.46 3lgg s VAL 226 N 2.27 4.64 0.18 -0.36 1.01 -1.26 -4.85 120.40 122.04 3lgg s VAL 226 Ca 0.78 1.29 0.07 0.00 0.00 0.00 0.00 61.98 64.12 3lgg s VAL 226 Cb -0.46 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3lgg s VAL 226 CO 0.35 0.44 -0.15 -0.72 0.00 0.00 0.00 175.10 175.02 3lgg s TYR 227 N -1.24 1.65 0.40 5.22 -0.85 0.38 0.33 117.35 123.23 3lgg s TYR 227 Ca 0.34 -0.57 0.08 0.00 -0.52 0.00 0.00 57.07 56.40 3lgg s TYR 227 Cb -0.19 -0.79 -0.04 0.00 0.38 0.00 0.00 41.96 41.32 3lgg s TYR 227 CO 0.21 0.30 0.26 -1.21 -1.52 0.00 0.00 175.55 173.59 3lgg s GLU 228 N -3.40 2.39 0.43 -3.49 0.41 -0.58 -1.08 118.70 113.37 3lgg s GLU 228 Ca 0.19 -1.65 0.11 0.00 -0.41 0.00 0.00 54.97 53.21 3lgg s GLU 228 Cb -0.02 -2.19 0.97 0.00 -1.78 0.00 0.00 34.13 31.11 3lgg s GLU 228 CO 0.06 -0.10 2.02 -0.07 -0.49 0.00 0.00 175.26 176.67 3lgg h LEU 229 N 1.28 0.40 -1.73 1.80 3.38 -1.90 -1.23 115.31 117.31 3lgg h LEU 229 Ca -0.42 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3lgg h LEU 229 Cb 1.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3lgg h LEU 229 CO 0.63 0.26 0.08 0.77 0.09 0.00 0.00 178.44 180.28 3lgg h SER 230 N 0.46 0.23 0.00 -0.43 4.64 -1.94 -3.37 113.55 113.13 3lgg h SER 230 Ca 0.22 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3lgg h SER 230 Cb 0.27 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3lgg h SER 230 CO -0.06 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3lgg n GLY 231 N -1.38 0.76 3.77 -0.77 0.00 -0.47 -5.07 105.19 102.03 3lgg n GLY 231 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3lgg n GLY 231 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lgg s GLU 232 N -0.49 3.79 -0.07 1.61 2.12 -1.26 -4.78 118.70 119.62 3lgg s GLU 232 Ca 0.00 2.44 0.01 0.00 0.36 0.00 0.00 54.97 57.78 3lgg s GLU 232 Cb 0.00 -2.73 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 3lgg s GLU 232 CO 0.00 -0.74 -0.08 -1.01 -0.54 0.00 0.00 175.26 172.89 3lgg s HIS 233 N -1.19 2.90 0.53 5.30 3.76 -1.26 -1.53 115.29 123.80 3lgg s HIS 233 Ca 0.59 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.44 3lgg s HIS 233 Cb -0.44 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.55 3lgg s HIS 233 CO 0.58 0.26 0.76 -1.01 -0.85 0.00 0.00 174.74 174.47 3lgg s HIS 234 N -0.66 2.96 0.38 1.40 0.09 0.15 -4.97 115.29 114.64 3lgg s HIS 234 Ca 0.10 0.08 0.04 0.00 -0.00 0.00 0.00 55.06 55.28 3lgg s HIS 234 Cb -0.11 -2.65 0.04 0.00 -0.00 0.00 0.00 32.58 29.85 3lgg s HIS 234 CO 0.02 -0.76 0.33 -0.40 -0.00 0.00 0.00 174.74 173.93 3lgg n ASP 235 N -2.30 2.03 -0.06 1.40 5.68 -1.26 -4.04 116.55 118.00 3lgg n ASP 235 Ca 0.06 -2.23 -0.08 0.00 -0.50 0.00 0.00 54.79 52.04 3lgg n ASP 235 Cb 0.59 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.48 3lgg n ASP 235 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3lgg h GLU 236 N 0.00 0.13 -0.58 0.11 3.07 -1.93 -2.39 114.58 113.00 3lgg h GLU 236 Ca -0.23 -0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3lgg h GLU 236 Cb 0.86 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.63 3lgg h GLU 236 CO 0.35 0.09 -0.16 0.93 -1.40 0.00 0.00 179.01 178.82 3lgg h GLU 237 N 0.13 -0.02 -0.99 2.33 3.07 -1.96 -1.67 114.58 115.48 3lgg h GLU 237 Ca 0.11 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3lgg h GLU 237 Cb 0.12 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3lgg h GLU 237 CO -0.15 -0.01 0.65 2.35 -1.40 0.00 0.00 179.01 180.45 3lgg h TRP 238 N -0.02 1.23 -0.49 4.33 7.01 -1.84 0.09 115.95 126.26 3lgg h TRP 238 Ca 0.28 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.23 3lgg h TRP 238 Cb 0.44 -0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3lgg h TRP 238 CO -0.49 0.74 -0.00 0.77 -2.79 0.00 0.00 178.44 176.67 3lgg h SER 239 N 1.30 0.85 -0.59 2.65 0.02 -0.92 -1.20 113.55 115.67 3lgg h SER 239 Ca 0.38 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 3lgg h SER 239 Cb -0.08 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3lgg h SER 239 CO -0.10 0.95 -0.00 0.58 -1.14 0.00 0.00 176.83 177.12 3lgg h VAL 240 N 0.73 1.26 -0.30 2.27 2.07 -0.92 -0.65 116.25 120.71 3lgg h VAL 240 Ca 0.14 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3lgg h VAL 240 Cb 0.51 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3lgg h VAL 240 CO 0.03 0.42 0.20 0.50 0.02 0.00 0.00 177.57 178.73 3lgg h LYS 241 N 0.96 0.39 -0.44 1.57 1.63 -0.91 -2.01 116.57 117.77 3lgg h LYS 241 Ca 0.17 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 3lgg h LYS 241 Cb 0.56 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3lgg h LYS 241 CO 0.03 0.26 0.24 1.15 -3.45 0.00 0.00 179.45 177.68 3lgg h THR 242 N 0.40 1.16 -0.09 1.00 2.02 -1.01 -0.16 112.91 116.24 3lgg h THR 242 Ca 0.11 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3lgg h THR 242 Cb -0.04 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3lgg h THR 242 CO -0.03 0.17 -0.11 1.88 0.37 0.00 0.00 175.52 177.80 3lgg h TYR 243 N 0.57 -0.28 -0.40 3.16 0.05 -0.98 0.14 116.97 119.23 3lgg h TYR 243 Ca 0.15 0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.03 3lgg h TYR 243 Cb 0.06 0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.87 3lgg h TYR 243 CO -0.02 -0.17 -0.03 0.37 -1.05 0.00 0.00 178.16 177.26 3lgg h GLN 244 N -0.15 0.07 -0.28 4.88 4.15 -1.18 -1.33 115.11 121.26 3lgg h GLN 244 Ca 0.07 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3lgg h GLN 244 Cb 0.25 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3lgg h GLN 244 CO -0.18 0.04 0.03 0.93 -1.93 0.00 0.00 178.83 177.73 3lgg h GLU 245 N 0.07 0.47 -0.65 1.69 5.08 -0.38 -0.41 114.58 120.45 3lgg h GLU 245 Ca 0.20 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 3lgg h GLU 245 Cb 0.29 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3lgg h GLU 245 CO -0.35 0.60 0.10 0.28 -1.00 0.00 0.00 179.01 178.64 3lgg h VAL 246 N 0.28 1.26 -0.72 3.13 2.07 -0.67 -1.50 116.25 120.09 3lgg h VAL 246 Ca 0.08 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 3lgg h VAL 246 Cb 0.37 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3lgg h VAL 246 CO 0.01 0.38 0.18 0.00 0.02 0.00 0.00 177.57 178.17 3lgg h ALA 247 N 1.10 0.97 -0.31 1.67 0.00 -1.02 0.25 119.26 121.93 3lgg h ALA 247 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3lgg h ALA 247 Cb 0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3lgg h ALA 247 CO 0.01 0.67 0.17 1.96 0.00 0.00 0.00 179.25 182.06 3lgg h GLN 248 N 1.08 0.43 -0.85 0.00 4.20 -0.89 -0.13 115.11 118.96 3lgg h GLN 248 Ca 0.23 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.94 3lgg h GLN 248 Cb 0.36 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 3lgg h GLN 248 CO 0.00 0.36 0.53 -0.22 -0.67 0.00 0.00 178.83 178.83 3lgg h LYS 249 N 0.38 0.96 -0.36 1.46 1.63 -0.94 -1.66 116.57 118.05 3lgg h LYS 249 Ca 0.11 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.78 3lgg h LYS 249 Cb 0.05 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3lgg h LYS 249 CO -0.02 0.64 -0.07 0.35 -3.45 0.00 0.00 179.45 176.90 3lgg h PHE 250 N 0.99 0.76 0.00 1.91 3.57 -0.69 -3.05 116.94 120.43 3lgg h PHE 250 Ca 0.36 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3lgg h PHE 250 Cb 0.11 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3lgg h PHE 250 CO -0.03 0.83 -0.16 0.28 -2.23 0.00 0.00 178.31 176.99 3lgg h VAL 251 N 0.48 0.57 -0.19 1.41 2.07 -0.73 -1.53 116.25 118.33 3lgg h VAL 251 Ca 0.09 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 3lgg h VAL 251 Cb 0.57 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3lgg h VAL 251 CO 0.03 0.16 -0.28 -0.33 0.02 0.00 0.00 177.57 177.17 3lgg h GLU 252 N 0.00 0.37 -0.25 1.57 5.08 -1.20 -2.94 114.58 117.21 3lgg h GLU 252 Ca -0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3lgg h GLU 252 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3lgg h GLU 252 CO 0.02 0.63 0.00 0.25 -1.00 0.00 0.00 179.01 178.91 3lgg n THR 253 N -4.11 0.43 -3.21 1.13 -2.24 -0.98 -4.62 114.28 100.68 3lgg n THR 253 Ca -0.01 -0.71 -0.21 0.00 -2.27 0.00 0.00 64.05 60.85 3lgg n THR 253 Cb 0.41 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.57 3lgg n THR 253 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lgg n HIS 254 N 1.07 -1.62 0.25 4.78 8.25 -0.61 -5.03 115.22 122.31 3lgg n HIS 254 Ca 0.14 -2.84 0.15 0.00 -0.26 0.00 0.00 57.72 54.91 3lgg n HIS 254 Cb 0.49 0.53 0.78 0.00 1.12 0.00 0.00 29.99 32.90 3lgg n HIS 254 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3lgg h PRO 255 N 5.29 0.00 0.00 -0.41 0.13 -1.78 -1.76 132.00 133.47 3lgg h PRO 255 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 3lgg h PRO 255 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3lgg h PRO 255 CO 0.30 0.00 -0.74 0.93 -0.23 0.00 0.00 178.00 178.26 3lgg h GLU 256 N 0.00 0.00 -6.46 0.86 5.08 -1.96 -3.46 114.58 108.64 3lgg h GLU 256 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3lgg h GLU 256 Cb 0.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.35 3lgg h GLU 256 CO 0.00 0.15 0.85 0.12 -1.00 0.00 0.00 179.01 179.13 3lgg s PHE 257 N -3.16 2.88 0.10 4.33 5.36 -0.66 -4.94 117.98 121.88 3lgg s PHE 257 Ca 0.02 0.71 -0.10 0.00 -0.96 0.00 0.00 56.93 56.60 3lgg s PHE 257 Cb 0.08 -3.77 -0.17 0.00 -0.34 0.00 0.00 43.02 38.82 3lgg s PHE 257 CO 0.76 -2.88 1.25 0.82 -1.46 0.00 0.00 175.22 173.71 3lgg h ILE 258 N 4.61 1.32 0.00 3.12 1.08 -1.27 -3.45 117.51 122.92 3lgg h ILE 258 Ca -0.41 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 61.79 3lgg h ILE 258 Cb 1.20 2.34 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 3lgg h ILE 258 CO 0.90 0.70 0.00 0.61 -0.69 0.00 0.00 178.15 179.67 3lgg n GLY 259 N 0.98 0.72 3.21 5.37 0.00 -1.25 -5.06 105.19 109.16 3lgg n GLY 259 Ca -0.09 -2.06 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 3lgg n GLY 259 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lgg s ILE 260 N -1.37 1.29 0.28 -0.61 -4.36 -1.26 -2.59 121.20 112.57 3lgg s ILE 260 Ca 0.00 -1.39 0.10 0.00 -0.26 0.00 0.00 60.65 59.11 3lgg s ILE 260 Cb 0.00 -1.22 -0.05 0.00 1.25 0.00 0.00 42.46 42.44 3lgg s ILE 260 CO 0.00 -0.19 -0.16 -0.54 0.24 0.00 0.00 174.94 174.29 3lgg s LYS 261 N -1.82 1.64 -0.12 0.37 1.02 -0.53 -4.92 119.74 115.38 3lgg s LYS 261 Ca 0.01 -1.77 0.01 0.00 0.02 0.00 0.00 55.97 54.23 3lgg s LYS 261 Cb -0.10 -1.61 -0.01 0.00 -0.52 0.00 0.00 37.83 35.59 3lgg s LYS 261 CO 0.03 0.25 -0.16 0.42 -0.92 0.00 0.00 175.35 174.96 3lgg s ILE 262 N -2.64 2.74 -0.36 2.17 -1.09 0.56 -1.53 121.20 121.05 3lgg s ILE 262 Ca 0.29 -0.77 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 3lgg s ILE 262 Cb -0.02 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.76 3lgg s ILE 262 CO 0.14 0.53 0.20 -0.63 -1.23 0.00 0.00 174.94 173.95 3lgg s ILE 263 N 0.37 4.58 0.26 2.92 1.01 0.57 -0.10 121.20 130.81 3lgg s ILE 263 Ca -0.13 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3lgg s ILE 263 Cb -0.17 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3lgg s ILE 263 CO 0.06 -0.18 1.26 -0.47 0.00 0.00 0.00 174.94 175.61 3lgg s TYR 264 N 1.56 3.27 0.03 3.97 5.04 -0.41 -0.77 117.35 130.04 3lgg s TYR 264 Ca 0.02 1.41 -0.02 0.00 -2.44 0.00 0.00 57.07 56.04 3lgg s TYR 264 Cb -0.19 -3.55 -0.02 0.00 0.35 0.00 0.00 41.96 38.55 3lgg s TYR 264 CO 0.07 -1.54 0.00 -1.54 -1.34 0.00 0.00 175.55 171.20 3lgg s SER 265 N -0.23 0.29 0.06 4.32 1.04 -0.53 -1.17 113.70 117.48 3lgg s SER 265 Ca 0.51 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 3lgg s SER 265 Cb -0.36 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 3lgg s SER 265 CO 0.44 -0.43 0.09 -0.62 0.98 0.00 0.00 173.24 173.70 3lgg s ASP 266 N -2.01 0.26 0.16 7.02 -1.08 -1.10 -4.19 116.67 115.73 3lgg s ASP 266 Ca -0.07 -0.75 -0.30 0.00 -0.52 0.00 0.00 52.55 50.91 3lgg s ASP 266 Cb -0.03 0.26 -0.07 0.00 -1.46 0.00 0.00 42.92 41.62 3lgg s ASP 266 CO -0.04 -0.63 1.08 -1.00 0.52 0.00 0.00 175.17 175.10 3lgg s HIS 267 N -3.59 3.62 -2.00 -5.34 3.76 -1.26 -1.46 115.29 109.02 3lgg s HIS 267 Ca 0.03 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 56.62 3lgg s HIS 267 Cb 0.05 -3.25 0.37 0.00 1.11 0.00 0.00 32.58 30.86 3lgg s HIS 267 CO -0.09 -0.51 1.04 2.89 -0.85 0.00 0.00 174.74 177.22 3lgg n ARG 268 N 2.58 0.78 -0.28 1.40 1.85 0.44 -2.99 116.66 120.43 3lgg n ARG 268 Ca 0.03 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.98 3lgg n ARG 268 Cb 0.47 -1.12 0.27 0.00 -1.05 0.00 0.00 32.46 31.02 3lgg n ARG 268 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3lgg n SER 269 N -0.62 3.16 -4.87 2.89 3.41 -1.26 -1.04 113.62 115.28 3lgg n SER 269 Ca 0.05 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.46 3lgg n SER 269 Cb 0.02 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 3lgg n SER 269 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3lgg s LYS 270 N -1.27 3.09 0.40 4.33 1.02 -1.16 -4.94 119.74 121.21 3lgg s LYS 270 Ca 0.40 -0.96 -0.26 0.00 0.02 0.00 0.00 55.97 55.16 3lgg s LYS 270 Cb 0.21 -2.67 -0.09 0.00 -0.52 0.00 0.00 37.83 34.76 3lgg s LYS 270 CO 0.28 0.41 1.33 -0.51 -0.92 0.00 0.00 175.35 175.94 3lgg s ASP 271 N -3.87 6.31 0.45 2.83 1.01 -1.26 -4.82 116.67 117.31 3lgg s ASP 271 Ca 0.33 2.71 0.24 0.00 0.71 0.00 0.00 52.55 56.55 3lgg s ASP 271 Cb -0.08 -2.64 1.25 0.00 1.01 0.00 0.00 42.92 42.46 3lgg s ASP 271 CO 0.26 -0.86 1.81 1.62 0.21 0.00 0.00 175.17 178.21 3lgg h VAL 272 N 2.53 0.52 -0.44 -1.27 3.04 -1.98 0.06 116.25 118.72 3lgg h VAL 272 Ca -0.50 -0.09 -0.08 0.00 -1.01 0.00 0.00 66.70 65.03 3lgg h VAL 272 Cb 1.25 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.76 3lgg h VAL 272 CO 0.63 0.05 -0.03 0.00 -1.01 0.00 0.00 177.57 177.20 3lgg h ALA 273 N 1.56 0.60 -0.64 3.17 0.00 -1.99 0.15 119.26 122.12 3lgg h ALA 273 Ca 0.55 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3lgg h ALA 273 Cb 1.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3lgg h ALA 273 CO -0.18 0.42 0.30 0.28 0.00 0.00 0.00 179.25 180.07 3lgg h VAL 274 N 0.64 1.22 -0.27 0.00 2.07 -1.40 -2.23 116.25 116.29 3lgg h VAL 274 Ca 0.12 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 3lgg h VAL 274 Cb 0.54 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3lgg h VAL 274 CO 0.03 0.26 -0.31 0.40 0.02 0.00 0.00 177.57 177.97 3lgg h ILE 275 N 0.88 1.28 -0.69 4.57 1.08 -1.00 -1.66 117.51 121.97 3lgg h ILE 275 Ca 0.22 -1.41 0.05 0.00 -0.39 0.00 0.00 64.86 63.33 3lgg h ILE 275 Cb 0.14 1.41 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 3lgg h ILE 275 CO -0.03 0.45 0.40 0.00 -0.69 0.00 0.00 178.15 178.28 3lgg h ALA 276 N 1.18 0.93 -0.81 1.87 0.00 -0.55 -0.20 119.26 121.67 3lgg h ALA 276 Ca 0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3lgg h ALA 276 Cb 0.78 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3lgg h ALA 276 CO 0.06 0.10 0.53 1.49 0.00 0.00 0.00 179.25 181.43 3lgg h GLU 277 N 0.74 1.01 -0.14 0.00 4.81 -0.96 -2.76 114.58 117.28 3lgg h GLU 277 Ca 0.30 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3lgg h GLU 277 Cb 0.16 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3lgg h GLU 277 CO -0.17 0.67 -0.36 0.77 -0.73 0.00 0.00 179.01 179.19 3lgg h SER 278 N 1.04 0.30 -0.65 1.04 0.02 -0.59 -2.66 113.55 112.05 3lgg h SER 278 Ca 0.32 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 3lgg h SER 278 Cb -0.02 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3lgg h SER 278 CO -0.10 0.65 0.13 0.40 -1.14 0.00 0.00 176.83 176.76 3lgg h ILE 279 N 0.25 1.26 -0.49 3.27 1.08 -0.84 -1.93 117.51 120.11 3lgg h ILE 279 Ca 0.03 -1.00 -0.12 0.00 -0.39 0.00 0.00 64.86 63.38 3lgg h ILE 279 Cb 0.76 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 3lgg h ILE 279 CO 0.06 0.38 -0.18 0.03 -0.69 0.00 0.00 178.15 177.75 3lgg h ARG 280 N 1.01 0.98 -0.46 2.37 3.08 -1.31 -1.82 114.38 118.23 3lgg h ARG 280 Ca 0.21 -0.40 0.06 0.00 0.07 0.00 0.00 59.98 59.91 3lgg h ARG 280 Cb 0.41 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 3lgg h ARG 280 CO 0.01 1.08 0.16 1.98 -1.07 0.00 0.00 179.97 182.13 3lgg h MET 281 N 0.84 0.33 -0.66 0.04 4.05 -1.37 -0.35 114.93 117.81 3lgg h MET 281 Ca 0.12 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3lgg h MET 281 Cb 0.75 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 3lgg h MET 281 CO 0.06 0.22 0.41 0.00 0.23 0.00 0.00 176.91 177.83 3lgg h ALA 282 N 1.31 0.84 -0.33 0.39 0.00 -1.05 0.28 119.26 120.69 3lgg h ALA 282 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3lgg h ALA 282 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3lgg h ALA 282 CO -0.22 0.29 0.16 0.52 0.00 0.00 0.00 179.25 180.00 3lgg h MET 283 N 0.89 0.48 -0.76 0.00 2.07 -1.09 -0.91 114.93 115.62 3lgg h MET 283 Ca 0.24 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.82 3lgg h MET 283 Cb -0.06 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.54 3lgg h MET 283 CO -0.05 0.45 0.49 0.78 1.07 0.00 0.00 176.91 179.65 3lgg h GLY 284 N 0.40 1.08 1.62 8.32 0.00 -0.49 -1.69 103.07 112.31 3lgg h GLY 284 Ca 0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3lgg h GLY 284 CO -0.01 0.34 -0.21 1.41 0.00 0.00 0.00 176.54 178.07 3lgg h LEU 285 N 0.98 0.45 -0.35 3.11 4.07 -0.29 -1.38 115.31 121.89 3lgg h LEU 285 Ca 0.29 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 3lgg h LEU 285 Cb -0.04 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 3lgg h LEU 285 CO -0.09 0.67 -0.00 0.03 -1.08 0.00 0.00 178.44 177.96 3lgg h ARG 286 N 0.41 0.62 0.27 1.13 3.08 -0.68 0.20 114.38 119.40 3lgg h ARG 286 Ca 0.07 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3lgg h ARG 286 Cb 0.59 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3lgg h ARG 286 CO 0.04 0.74 -0.14 0.82 -1.07 0.00 0.00 179.97 180.36 3lgg h ILE 287 N 0.43 0.71 -0.57 2.04 1.08 -1.18 -1.79 117.51 118.23 3lgg h ILE 287 Ca 0.10 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.49 3lgg h ILE 287 Cb 0.46 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3lgg h ILE 287 CO 0.02 0.00 0.06 0.11 -0.69 0.00 0.00 178.15 177.65 3lgg h LYS 288 N -0.38 0.93 -2.07 2.37 1.79 -1.25 -3.37 116.57 114.59 3lgg h LYS 288 Ca -0.03 -0.24 -0.56 0.00 -2.18 0.00 0.00 60.65 57.64 3lgg h LYS 288 Cb 0.30 -0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 30.44 3lgg h LYS 288 CO 0.05 0.89 -0.96 1.19 -1.08 0.00 0.00 179.45 179.53 3lgg n PHE 289 N -4.22 1.11 0.32 -1.35 3.72 0.68 -4.94 117.46 112.78 3lgg n PHE 289 Ca 0.03 -3.79 0.14 0.00 -0.05 0.00 0.00 57.45 53.78 3lgg n PHE 289 Cb 0.29 -0.43 0.64 0.00 -0.94 0.00 0.00 39.48 39.04 3lgg n PHE 289 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3lgg h PRO 290 N 3.73 0.00 0.00 -1.08 0.13 -1.50 -1.15 132.00 132.13 3lgg h PRO 290 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3lgg h PRO 290 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3lgg h PRO 290 CO 0.59 0.00 -1.08 1.15 -0.23 0.00 0.00 178.00 178.43 3lgg h THR 291 N 0.00 0.11 0.00 1.56 2.02 -1.92 -3.41 112.91 111.27 3lgg h THR 291 Ca 0.00 -1.21 -0.28 0.00 0.77 0.00 0.00 66.41 65.69 3lgg h THR 291 Cb 0.30 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3lgg h THR 291 CO 0.00 0.06 -2.06 0.52 0.37 0.00 0.00 175.52 174.41 3lgg n VAL 292 N -2.73 1.07 -3.38 3.16 0.31 -0.65 -4.94 118.33 111.17 3lgg n VAL 292 Ca -0.02 -0.41 -0.44 0.00 -0.01 0.00 0.00 64.34 63.47 3lgg n VAL 292 Cb 0.61 -1.16 -0.08 0.00 -0.91 0.00 0.00 33.84 32.29 3lgg n VAL 292 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3lgg s VAL 293 N -2.37 5.18 0.10 2.52 1.01 -0.53 -0.32 120.40 125.99 3lgg s VAL 293 Ca -0.25 -0.77 0.14 0.00 0.00 0.00 0.00 61.98 61.09 3lgg s VAL 293 Cb 0.06 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3lgg s VAL 293 CO 0.43 -0.50 1.55 0.00 0.00 0.00 0.00 175.10 176.58 3lgg h ALA 294 N 8.74 0.78 0.00 5.51 0.00 -0.83 -3.45 119.26 130.01 3lgg h ALA 294 Ca -0.28 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3lgg h ALA 294 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3lgg h ALA 294 CO 0.83 0.73 0.00 0.41 0.00 0.00 0.00 179.25 181.22 3lgg n GLY 295 N 0.70 -0.39 3.07 0.00 0.00 -1.25 -4.46 105.19 102.85 3lgg n GLY 295 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3lgg n GLY 295 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3lgg s PHE 296 N -4.00 0.56 0.04 1.61 2.19 -0.67 -1.29 117.98 116.43 3lgg s PHE 296 Ca 0.00 -0.73 -0.16 0.00 0.33 0.00 0.00 56.93 56.37 3lgg s PHE 296 Cb 0.00 -0.36 0.03 0.00 -1.31 0.00 0.00 43.02 41.38 3lgg s PHE 296 CO 0.00 -0.20 0.36 0.34 1.83 0.00 0.00 175.22 177.54 3lgg s ASP 297 N -2.17 -0.20 -0.15 6.13 2.15 -0.32 -1.47 116.67 120.64 3lgg s ASP 297 Ca -0.03 -0.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.83 3lgg s ASP 297 Cb -0.02 0.39 -0.02 0.00 -0.30 0.00 0.00 42.92 42.96 3lgg s ASP 297 CO -0.04 -0.64 -0.07 -0.76 -0.17 0.00 0.00 175.17 173.50 3lgg s LEU 298 N -2.03 3.05 0.51 -1.34 1.43 -1.26 -2.71 118.68 116.33 3lgg s LEU 298 Ca -0.05 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3lgg s LEU 298 Cb -0.01 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3lgg s LEU 298 CO -0.03 0.15 0.01 0.68 0.23 0.00 0.00 176.35 177.39 3lgg s VAL 299 N 0.46 1.07 0.00 -1.59 -7.23 -0.53 -4.19 120.40 108.38 3lgg s VAL 299 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3lgg s VAL 299 Cb -0.15 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.67 3lgg s VAL 299 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 3lgg n GLY 300 N -1.26 0.92 3.60 2.32 0.00 -1.26 -0.42 105.19 109.10 3lgg n GLY 300 Ca -0.19 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.22 3lgg n GLY 300 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lgg s HIS 301 N -1.24 1.31 0.16 1.61 5.65 -1.26 -4.88 115.29 116.63 3lgg s HIS 301 Ca 0.00 0.51 -0.08 0.00 0.25 0.00 0.00 55.06 55.74 3lgg s HIS 301 Cb 0.00 -3.98 0.01 0.00 -1.18 0.00 0.00 32.58 27.43 3lgg s HIS 301 CO 0.00 -3.92 1.46 1.49 -0.65 0.00 0.00 174.74 173.12 3lgg h GLU 302 N 14.37 0.76 -0.96 2.88 4.81 -1.92 -2.62 114.58 131.90 3lgg h GLU 302 Ca -0.40 -0.46 0.05 0.00 -0.13 0.00 0.00 59.36 58.41 3lgg h GLU 302 Cb 1.22 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 3lgg h GLU 302 CO 0.97 1.09 0.63 -0.44 -0.73 0.00 0.00 179.01 180.53 3lgg h ASP 303 N 0.59 1.02 0.01 1.04 5.19 -1.90 -3.26 116.42 119.11 3lgg h ASP 303 Ca 0.02 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3lgg h ASP 303 Cb 1.10 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.39 3lgg h ASP 303 CO 0.11 0.68 -1.52 0.35 -3.12 0.00 0.00 179.24 175.74 3lgg n THR 304 N -4.46 0.00 -2.33 0.35 -2.24 -1.20 -4.99 114.28 99.41 3lgg n THR 304 Ca 0.13 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 3lgg n THR 304 Cb 0.13 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 68.83 3lgg n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lgg n GLY 305 N 1.37 0.87 3.79 3.38 0.00 -0.99 -5.03 105.19 108.58 3lgg n GLY 305 Ca -0.00 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3lgg n GLY 305 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3lgg s HIS 306 N 0.11 2.83 0.53 1.61 3.76 -0.21 -5.00 115.29 118.93 3lgg s HIS 306 Ca 0.04 1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 56.45 3lgg s HIS 306 Cb -0.00 -3.07 0.01 0.00 1.11 0.00 0.00 32.58 30.63 3lgg s HIS 306 CO 0.03 -1.38 0.80 -1.54 -0.85 0.00 0.00 174.74 171.80 3lgg s SER 307 N -2.77 5.61 0.36 1.40 1.04 -1.26 -4.94 113.70 113.13 3lgg s SER 307 Ca 0.65 0.44 0.04 0.00 0.48 0.00 0.00 55.95 57.55 3lgg s SER 307 Cb -0.18 -1.50 0.66 0.00 0.10 0.00 0.00 66.02 65.10 3lgg s SER 307 CO 0.40 -0.95 1.97 -0.07 0.98 0.00 0.00 173.24 175.58 3lgg h LEU 308 N 0.07 0.61 -0.22 2.42 3.38 -1.92 -2.23 115.31 117.42 3lgg h LEU 308 Ca -0.45 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3lgg h LEU 308 Cb 1.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3lgg h LEU 308 CO 0.58 0.51 0.14 -0.74 0.09 0.00 0.00 178.44 179.02 3lgg h HIS 309 N 0.69 0.28 -1.10 1.13 2.76 -1.94 -2.13 115.15 114.84 3lgg h HIS 309 Ca 0.18 0.00 0.30 0.00 -2.20 0.00 0.00 60.37 58.65 3lgg h HIS 309 Cb 0.05 -0.09 -0.09 0.00 1.55 0.00 0.00 27.41 28.83 3lgg h HIS 309 CO 0.00 0.20 0.73 -0.44 -1.30 0.00 0.00 177.93 177.12 3lgg h ASP 310 N 0.29 0.32 -0.28 3.26 3.32 -1.79 -0.23 116.42 121.31 3lgg h ASP 310 Ca 0.08 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3lgg h ASP 310 Cb -0.01 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3lgg h ASP 310 CO -0.02 0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 3lgg n TYR 311 N -4.54 0.36 -0.26 4.55 4.01 -0.83 -4.65 117.16 115.80 3lgg n TYR 311 Ca 0.27 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3lgg n TYR 311 Cb 1.02 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 40.12 3lgg n TYR 311 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3lgg h LYS 312 N 3.11 -0.03 -0.44 -0.72 3.64 -0.74 -0.36 116.57 121.03 3lgg h LYS 312 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3lgg h LYS 312 Cb 0.69 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.42 3lgg h LYS 312 CO 0.00 -0.02 -0.22 0.93 -2.27 0.00 0.00 179.45 177.87 3lgg h GLU 313 N -0.04 -0.13 -0.46 1.90 4.39 -1.83 -1.27 114.58 117.15 3lgg h GLU 313 Ca 0.34 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.92 3lgg h GLU 313 Cb 0.56 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3lgg h GLU 313 CO -0.78 -0.08 -0.20 0.00 -1.16 0.00 0.00 179.01 176.78 3lgg h ALA 314 N 1.14 0.65 0.00 3.43 0.00 -1.44 -3.16 119.26 119.89 3lgg h ALA 314 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3lgg h ALA 314 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3lgg h ALA 314 CO -0.52 0.62 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3lgg n LEU 315 N -4.16 0.63 -0.04 0.00 4.77 -0.30 -2.54 117.00 115.36 3lgg n LEU 315 Ca -0.00 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 3lgg n LEU 315 Cb 0.45 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3lgg n LEU 315 CO 0.46 -0.42 0.30 0.23 -1.33 0.00 0.00 177.39 176.64 3lgg n MET 316 N -2.16 0.12 -0.18 3.23 2.81 -0.53 -4.47 117.12 115.94 3lgg n MET 316 Ca 0.03 -0.09 -0.03 0.00 -1.81 0.00 0.00 57.70 55.81 3lgg n MET 316 Cb 0.28 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 3lgg n MET 316 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3lgg h ILE 317 N 0.21 0.40 -0.52 2.02 2.04 -1.53 -1.24 117.51 118.89 3lgg h ILE 317 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3lgg h ILE 317 Cb 0.51 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3lgg h ILE 317 CO 0.00 0.00 0.26 -0.65 0.00 0.00 0.00 178.15 177.76 3lgg h PRO 318 N -0.04 0.48 -0.64 2.37 0.11 -1.82 -1.76 132.00 130.71 3lgg h PRO 318 Ca 0.26 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.37 3lgg h PRO 318 Cb 0.43 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3lgg h PRO 318 CO -0.58 0.32 0.40 0.00 -0.21 0.00 0.00 178.00 177.93 3lgg h ALA 319 N 1.28 0.84 0.00 -0.75 0.00 -1.35 0.17 119.26 119.46 3lgg h ALA 319 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3lgg h ALA 319 Cb 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3lgg h ALA 319 CO -0.17 0.16 -0.11 0.87 0.00 0.00 0.00 179.25 180.00 3lgg h LYS 320 N 0.79 0.00 -0.24 0.00 1.57 -0.94 -1.23 116.57 116.52 3lgg h LYS 320 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3lgg h LYS 320 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3lgg h LYS 320 CO -0.10 0.11 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3lgg n ASP 321 N -3.68 2.28 -1.90 0.86 9.92 -0.49 -4.93 116.55 118.61 3lgg n ASP 321 Ca -0.02 -1.82 -0.16 0.00 -0.53 0.00 0.00 54.79 52.26 3lgg n ASP 321 Cb 0.22 -0.16 -0.00 0.00 -0.64 0.00 0.00 41.12 40.54 3lgg n ASP 321 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3lgg n GLY 322 N 1.25 -0.30 3.41 0.44 0.00 -0.46 -5.01 105.19 104.52 3lgg n GLY 322 Ca 0.17 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3lgg n GLY 322 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lgg s VAL 323 N -2.83 2.57 -0.44 1.61 1.01 0.49 -5.00 120.40 117.81 3lgg s VAL 323 Ca 0.02 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 3lgg s VAL 323 Cb -0.01 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3lgg s VAL 323 CO 0.03 0.46 0.42 -0.75 0.00 0.00 0.00 175.10 175.25 3lgg s LYS 324 N -1.05 3.05 -0.44 2.72 2.20 -1.26 -3.41 119.74 121.54 3lgg s LYS 324 Ca 0.12 -0.94 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 3lgg s LYS 324 Cb -0.10 -4.01 0.06 0.00 -1.51 0.00 0.00 37.83 32.26 3lgg s LYS 324 CO 0.02 -0.90 0.34 -1.17 -0.36 0.00 0.00 175.35 173.28 3lgg s LEU 325 N 1.99 5.39 0.56 5.43 2.96 -1.26 -5.07 118.68 128.67 3lgg s LEU 325 Ca 0.09 -1.25 -0.21 0.00 -0.22 0.00 0.00 54.13 52.54 3lgg s LEU 325 Cb -0.19 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3lgg s LEU 325 CO 0.11 -0.57 1.30 -2.84 -1.32 0.00 0.00 176.35 173.03 3lgg s PRO 326 N 1.61 3.10 0.12 0.98 0.02 -1.26 -4.87 135.00 134.69 3lgg s PRO 326 Ca 0.04 2.09 0.10 0.00 0.02 0.00 0.00 61.00 63.25 3lgg s PRO 326 Cb -0.23 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 3lgg s PRO 326 CO 0.07 -1.17 -0.25 0.71 -0.33 0.00 0.00 177.00 176.02 3lgg s TYR 327 N -1.39 2.11 -0.36 6.54 2.02 -1.26 -1.67 117.35 123.35 3lgg s TYR 327 Ca 0.73 -0.39 0.14 0.00 -0.37 0.00 0.00 57.07 57.18 3lgg s TYR 327 Cb -0.37 -1.15 0.42 0.00 -0.40 0.00 0.00 41.96 40.46 3lgg s TYR 327 CO 0.43 0.28 0.91 1.19 -1.57 0.00 0.00 175.55 176.79 3lgg n PHE 328 N 1.01 1.28 -1.82 2.71 3.72 -0.54 -0.42 117.46 123.40 3lgg n PHE 328 Ca -0.19 -3.15 -0.42 0.00 -0.05 0.00 0.00 57.45 53.65 3lgg n PHE 328 Cb 0.53 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3lgg n PHE 328 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3lgg s PHE 329 N -3.01 2.52 0.19 1.38 0.08 -1.21 -4.48 117.98 113.45 3lgg s PHE 329 Ca 0.34 0.26 -0.33 0.00 0.12 0.00 0.00 56.93 57.32 3lgg s PHE 329 Cb 0.42 -4.06 -0.13 0.00 -0.57 0.00 0.00 43.02 38.67 3lgg s PHE 329 CO -0.02 -4.21 1.56 0.72 -0.10 0.00 0.00 175.22 173.16 3lgg n HIS 330 N 5.07 2.34 -3.64 0.36 8.25 -1.26 -0.30 115.22 126.05 3lgg n HIS 330 Ca 0.16 0.28 -0.09 0.00 -0.26 0.00 0.00 57.72 57.81 3lgg n HIS 330 Cb 0.38 -2.54 -0.07 0.00 1.12 0.00 0.00 29.99 28.88 3lgg n HIS 330 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3lgg s ALA 331 N 0.65 -1.81 -1.12 -1.41 0.00 -0.52 -4.82 121.76 112.73 3lgg s ALA 331 Ca 0.75 2.27 0.00 0.00 0.00 0.00 0.00 51.96 54.97 3lgg s ALA 331 Cb -0.64 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3lgg s ALA 331 CO 0.41 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3lgg n GLY 332 N 3.86 0.13 2.68 0.00 0.00 -1.26 -1.49 105.19 109.11 3lgg n GLY 332 Ca -0.18 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3lgg n GLY 332 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3lgg n GLU 333 N -2.28 2.93 -3.65 1.61 2.13 -1.26 -1.77 120.64 118.34 3lgg n GLU 333 Ca -0.14 -2.51 -0.12 0.00 0.66 0.00 0.00 57.16 55.05 3lgg n GLU 333 Cb 0.57 -3.20 -0.06 0.00 0.27 0.00 0.00 31.44 29.03 3lgg n GLU 333 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3lgg s THR 334 N 3.11 0.06 -0.49 6.31 -1.32 -1.26 -4.72 115.64 117.33 3lgg s THR 334 Ca 0.51 -0.47 0.23 0.00 -1.21 0.00 0.00 61.69 60.76 3lgg s THR 334 Cb 0.15 -0.99 0.05 0.00 -1.51 0.00 0.00 72.50 70.19 3lgg s THR 334 CO -0.08 -0.26 1.24 0.44 -2.21 0.00 0.00 174.62 173.76 3lgg h ASP 335 N 2.88 0.00 -4.05 8.08 3.32 -1.90 -3.40 116.42 121.35 3lgg h ASP 335 Ca -0.32 -0.13 -0.49 0.00 0.02 0.00 0.00 57.03 56.11 3lgg h ASP 335 Cb 1.21 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.82 3lgg h ASP 335 CO 0.44 0.06 0.43 0.26 -1.72 0.00 0.00 179.24 178.72 3lgg s TRP 336 N -3.24 2.85 -0.03 4.55 0.52 -1.26 -5.06 118.94 117.27 3lgg s TRP 336 Ca 0.04 1.56 0.02 0.00 0.02 0.00 0.00 56.10 57.74 3lgg s TRP 336 Cb 0.11 -3.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.19 3lgg s TRP 336 CO 0.74 -1.30 -0.08 -1.14 0.02 0.00 0.00 176.95 175.19 3lgg s GLN 337 N -3.04 1.00 -0.27 4.98 0.74 -1.26 -4.66 119.66 117.14 3lgg s GLN 337 Ca 0.68 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.83 3lgg s GLN 337 Cb -0.23 -0.92 0.00 0.00 1.10 0.00 0.00 33.01 32.95 3lgg s GLN 337 CO 0.27 0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 3lgg n GLY 338 N 3.53 0.58 3.25 2.59 0.00 -1.26 -5.04 105.19 108.85 3lgg n GLY 338 Ca -0.21 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 3lgg n GLY 338 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lgg n THR 339 N -2.83 0.00 0.29 2.61 -2.24 -1.26 -5.01 114.28 105.84 3lgg n THR 339 Ca -0.03 -1.69 0.19 0.00 -2.27 0.00 0.00 64.05 60.25 3lgg n THR 339 Cb 0.13 -0.44 0.80 0.00 -2.10 0.00 0.00 70.33 68.72 3lgg n THR 339 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3lgg h SER 340 N 0.23 0.00 0.00 3.42 4.64 -1.99 -3.18 113.55 116.66 3lgg h SER 340 Ca -0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3lgg h SER 340 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3lgg h SER 340 CO 0.37 0.00 -0.00 0.40 -0.87 0.00 0.00 176.83 176.73 3lgg h ILE 341 N 0.00 1.70 0.00 0.95 2.04 -1.94 -3.33 117.51 116.93 3lgg h ILE 341 Ca -0.00 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.74 3lgg h ILE 341 Cb 0.41 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3lgg h ILE 341 CO 0.00 0.55 0.00 -2.24 0.00 0.00 0.00 178.15 176.46 3lgg h ASP 342 N -0.91 0.00 0.63 1.72 -0.00 -1.83 -2.25 116.42 113.78 3lgg h ASP 342 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3lgg h ASP 342 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.23 3lgg h ASP 342 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 179.24 179.27 3lgg h ARG 343 N 0.00 0.00 -0.71 4.15 3.08 -1.67 -2.93 114.38 116.30 3lgg h ARG 343 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 3lgg h ARG 343 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3lgg h ARG 343 CO 0.00 0.00 0.55 -0.91 -1.07 0.00 0.00 179.97 178.54 3lgg h ASN 344 N 0.00 0.00 0.07 7.04 2.35 -1.51 -0.20 115.58 123.34 3lgg h ASN 344 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3lgg h ASN 344 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3lgg h ASN 344 CO 0.00 0.00 -0.03 0.40 -1.65 0.00 0.00 177.43 176.15 3lgg h ILE 345 N 0.00 1.06 -0.51 2.81 2.04 -1.74 0.14 117.51 121.31 3lgg h ILE 345 Ca 0.34 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3lgg h ILE 345 Cb 1.42 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.78 3lgg h ILE 345 CO -0.00 0.11 0.12 0.25 0.00 0.00 0.00 178.15 178.63 3lgg h LEU 346 N -0.29 0.05 -0.84 1.44 5.85 -1.29 -1.93 115.31 118.29 3lgg h LEU 346 Ca -0.01 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3lgg h LEU 346 Cb 0.25 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3lgg h LEU 346 CO 0.02 0.05 -0.55 0.44 -0.34 0.00 0.00 178.44 178.05 3lgg h ASP 347 N 0.27 0.08 -0.39 1.25 3.32 -1.08 -0.86 116.42 119.00 3lgg h ASP 347 Ca 0.25 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3lgg h ASP 347 Cb 0.33 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3lgg h ASP 347 CO -0.31 0.62 0.24 0.00 -1.72 0.00 0.00 179.24 178.06 3lgg h ALA 348 N 1.39 0.50 -0.60 3.45 0.00 -0.36 -1.97 119.26 121.66 3lgg h ALA 348 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3lgg h ALA 348 Cb 1.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3lgg h ALA 348 CO 0.08 -0.01 0.25 -0.07 0.00 0.00 0.00 179.25 179.50 3lgg h LEU 349 N 0.51 0.82 -2.15 0.00 4.07 -1.00 -2.09 115.31 115.47 3lgg h LEU 349 Ca 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 3lgg h LEU 349 Cb 0.00 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 3lgg h LEU 349 CO -0.03 0.75 -0.07 0.24 -1.08 0.00 0.00 178.44 178.26 3lgg h MET 350 N 0.83 0.00 -0.60 1.13 2.86 -1.03 -1.53 114.93 116.58 3lgg h MET 350 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3lgg h MET 350 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3lgg h MET 350 CO -0.02 0.07 0.00 1.28 1.06 0.00 0.00 176.91 179.30 3lgg n LEU 351 N -3.70 3.40 -3.61 1.22 4.77 -0.75 -4.95 117.00 113.37 3lgg n LEU 351 Ca -0.02 -1.71 -0.24 0.00 -0.03 0.00 0.00 56.01 54.01 3lgg n LEU 351 Cb 0.17 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3lgg n LEU 351 CO 0.29 0.60 0.21 0.59 -1.33 0.00 0.00 177.39 177.75 3lgg n ASN 352 N 0.72 -5.57 -4.74 -1.43 3.02 -0.58 -4.86 115.26 101.83 3lgg n ASN 352 Ca 0.18 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.73 3lgg n ASN 352 Cb 0.64 -4.91 -0.00 0.00 -0.61 0.00 0.00 39.78 34.90 3lgg n ASN 352 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3lgg n THR 353 N -4.86 1.99 -0.01 3.41 5.66 -0.83 -4.58 114.28 115.06 3lgg n THR 353 Ca -0.03 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.31 3lgg n THR 353 Cb 0.57 -1.80 -0.11 0.00 -1.55 0.00 0.00 70.33 67.45 3lgg n THR 353 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3lgg h THR 354 N 2.78 1.46 -3.65 1.09 2.02 -1.10 -3.47 112.91 112.03 3lgg h THR 354 Ca -0.49 -2.00 -0.29 0.00 0.77 0.00 0.00 66.41 64.40 3lgg h THR 354 Cb 1.26 2.60 -0.16 0.00 -1.74 0.00 0.00 68.15 70.11 3lgg h THR 354 CO 0.63 0.57 -0.72 -0.13 0.37 0.00 0.00 175.52 176.25 3lgg s ARG 355 N -3.24 0.90 -0.23 6.66 0.52 -1.25 -4.36 118.95 117.95 3lgg s ARG 355 Ca -0.14 -1.29 -0.06 0.00 -0.52 0.00 0.00 55.73 53.72 3lgg s ARG 355 Cb 0.03 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 3lgg s ARG 355 CO 0.80 0.05 0.03 0.42 0.02 0.00 0.00 175.30 176.61 3lgg s ILE 356 N -3.03 4.02 -0.21 1.52 1.01 -0.34 -3.36 121.20 120.83 3lgg s ILE 356 Ca 0.10 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 3lgg s ILE 356 Cb 0.01 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3lgg s ILE 356 CO -0.01 0.38 1.27 -0.83 0.00 0.00 0.00 174.94 175.75 3lgg s GLY 357 N 1.41 1.56 0.00 6.18 0.00 0.59 -0.03 107.32 117.02 3lgg s GLY 357 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.11 3lgg s GLY 357 CO 0.02 2.52 0.00 1.42 0.00 0.00 0.00 173.10 177.05 3lgg n HIS 358 N 6.93 0.00 -2.92 1.90 8.25 0.26 -1.44 115.22 128.20 3lgg n HIS 358 Ca 0.14 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.42 3lgg n HIS 358 Cb 0.45 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.56 3lgg n HIS 358 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lgg n GLY 359 N 0.00 -0.50 0.37 -1.41 0.00 -0.56 -4.58 105.19 98.52 3lgg n GLY 359 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3lgg n GLY 359 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3lgg h PHE 360 N -0.58 0.83 -0.33 1.61 3.04 -1.65 -1.13 116.94 118.73 3lgg h PHE 360 Ca -0.37 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.60 3lgg h PHE 360 Cb 1.26 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.51 3lgg h PHE 360 CO 0.67 0.33 0.00 0.00 -2.02 0.00 0.00 178.31 177.29 3lgg n ALA 361 N -2.43 2.47 -0.04 2.41 0.00 -0.73 -4.52 120.51 117.68 3lgg n ALA 361 Ca 0.17 -0.59 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 3lgg n ALA 361 Cb 0.43 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3lgg n ALA 361 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3lgg h LEU 362 N 1.93 0.19 0.00 0.00 6.46 -1.50 -2.55 115.31 119.84 3lgg h LEU 362 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3lgg h LEU 362 Cb 0.47 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 3lgg h LEU 362 CO 0.01 0.14 0.00 -1.54 -0.62 0.00 0.00 178.44 176.43 3lgg n SER 363 N -4.97 0.00 -0.33 1.25 3.41 -1.26 -0.77 113.62 110.94 3lgg n SER 363 Ca -0.03 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 3lgg n SER 363 Cb 0.03 -0.45 0.39 0.00 -0.26 0.00 0.00 64.21 63.93 3lgg n SER 363 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lgg n LYS 364 N -1.45 1.10 -3.76 4.33 5.02 -0.96 -4.57 118.16 117.88 3lgg n LYS 364 Ca 0.01 -0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 55.35 3lgg n LYS 364 Cb 0.04 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 3lgg n LYS 364 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3lgg s HIS 365 N -2.36 2.61 0.29 2.13 3.76 0.05 -5.00 115.29 116.78 3lgg s HIS 365 Ca 0.28 -2.88 0.00 0.00 -0.15 0.00 0.00 55.06 52.31 3lgg s HIS 365 Cb 0.20 -2.16 0.51 0.00 1.11 0.00 0.00 32.58 32.24 3lgg s HIS 365 CO 0.47 -0.69 1.89 -1.00 -0.85 0.00 0.00 174.74 174.56 3lgg h PRO 366 N 5.96 1.02 -0.27 8.40 0.13 -1.80 -0.30 132.00 145.14 3lgg h PRO 366 Ca 0.09 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 65.09 3lgg h PRO 366 Cb 0.85 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3lgg h PRO 366 CO 0.58 0.68 -0.11 0.00 -0.23 0.00 0.00 178.00 178.92 3lgg h ALA 367 N 1.50 0.37 -0.73 -0.56 0.00 -1.94 -0.91 119.26 116.99 3lgg h ALA 367 Ca 0.41 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3lgg h ALA 367 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3lgg h ALA 367 CO -0.17 0.23 0.22 0.28 0.00 0.00 0.00 179.25 179.81 3lgg h VAL 368 N 0.29 1.26 -0.11 0.00 2.07 -1.87 -1.29 116.25 116.61 3lgg h VAL 368 Ca 0.06 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.69 3lgg h VAL 368 Cb 0.61 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3lgg h VAL 368 CO 0.04 0.36 -0.09 -0.09 0.02 0.00 0.00 177.57 177.80 3lgg h ARG 369 N 1.09 -0.11 -0.51 1.57 2.43 -0.89 -0.22 114.38 117.75 3lgg h ARG 369 Ca 0.23 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3lgg h ARG 369 Cb 0.32 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3lgg h ARG 369 CO -0.01 -0.07 0.31 1.15 -1.51 0.00 0.00 179.97 179.85 3lgg h THR 370 N -0.11 1.08 -0.35 0.20 2.02 -1.02 -1.82 112.91 112.91 3lgg h THR 370 Ca 0.07 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3lgg h THR 370 Cb 0.22 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3lgg h THR 370 CO -0.17 0.11 0.18 0.22 0.37 0.00 0.00 175.52 176.24 3lgg h TYR 371 N 0.63 0.48 -0.73 3.16 5.03 -0.94 -0.10 116.97 124.49 3lgg h TYR 371 Ca 0.20 -0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.43 3lgg h TYR 371 Cb -0.01 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 3lgg h TYR 371 CO -0.06 0.39 0.22 1.03 -1.32 0.00 0.00 178.16 178.42 3lgg h SER 372 N 0.43 1.07 -0.45 -2.11 0.87 -0.94 -0.19 113.55 112.24 3lgg h SER 372 Ca 0.12 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3lgg h SER 372 Cb 0.07 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3lgg h SER 372 CO -0.02 1.00 0.21 -0.25 -0.53 0.00 0.00 176.83 177.24 3lgg h TRP 373 N 1.09 0.65 -0.69 2.24 7.01 -1.16 0.10 115.95 125.20 3lgg h TRP 373 Ca 0.23 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 3lgg h TRP 373 Cb 0.32 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 3lgg h TRP 373 CO 0.03 0.54 0.17 0.87 -2.79 0.00 0.00 178.44 177.26 3lgg h LYS 374 N 0.58 1.09 -0.11 2.65 1.57 -0.68 -2.29 116.57 119.39 3lgg h LYS 374 Ca 0.15 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3lgg h LYS 374 Cb 0.14 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3lgg h LYS 374 CO -0.02 0.97 0.00 1.63 -0.57 0.00 0.00 179.45 181.46 3lgg n LYS 375 N -4.27 1.28 -4.12 3.15 4.76 -0.11 -4.93 118.16 113.92 3lgg n LYS 375 Ca 0.05 -0.44 -0.30 0.00 -2.87 0.00 0.00 58.31 54.75 3lgg n LYS 375 Cb 0.25 -1.16 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 3lgg n LYS 375 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3lgg n ASP 376 N -0.20 -0.88 -4.48 4.39 2.03 -0.70 -4.96 116.55 111.75 3lgg n ASP 376 Ca 0.07 -1.07 -0.41 0.00 0.52 0.00 0.00 54.79 53.89 3lgg n ASP 376 Cb 0.12 -2.62 -0.11 0.00 -0.72 0.00 0.00 41.12 37.79 3lgg n ASP 376 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3lgg s ILE 377 N -3.85 5.13 0.54 5.18 -1.09 0.27 -5.02 121.20 122.37 3lgg s ILE 377 Ca 0.23 -0.48 -0.15 0.00 -2.23 0.00 0.00 60.65 58.02 3lgg s ILE 377 Cb -0.13 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.94 3lgg s ILE 377 CO 0.93 -0.14 1.00 -2.16 -1.23 0.00 0.00 174.94 173.33 3lgg s PRO 378 N 1.68 3.85 0.04 2.79 0.04 -1.26 -4.64 135.00 137.49 3lgg s PRO 378 Ca 0.05 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 61.93 3lgg s PRO 378 Cb -0.18 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 3lgg s PRO 378 CO 0.09 -0.36 0.30 0.96 0.04 0.00 0.00 177.00 178.03 3lgg s ILE 379 N -2.77 5.26 -0.51 0.56 -4.36 -0.94 -1.19 121.20 117.26 3lgg s ILE 379 Ca 0.58 0.17 -0.17 0.00 -0.26 0.00 0.00 60.65 60.97 3lgg s ILE 379 Cb -0.10 -3.59 0.08 0.00 1.25 0.00 0.00 42.46 40.10 3lgg s ILE 379 CO 0.37 0.31 0.50 -1.61 0.24 0.00 0.00 174.94 174.75 3lgg s GLU 380 N -1.92 3.02 -0.16 0.37 2.02 0.95 -1.22 118.70 121.76 3lgg s GLU 380 Ca 0.30 -1.31 -0.15 0.00 0.02 0.00 0.00 54.97 53.83 3lgg s GLU 380 Cb -0.13 -4.17 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 3lgg s GLU 380 CO 0.18 -1.18 0.37 0.54 0.02 0.00 0.00 175.26 175.18 3lgg s VAL 381 N 1.97 5.25 -0.55 2.63 0.11 0.01 -0.58 120.40 129.25 3lgg s VAL 381 Ca 0.07 0.69 0.04 0.00 -2.93 0.00 0.00 61.98 59.85 3lgg s VAL 381 Cb -0.24 -3.71 0.15 0.00 -1.53 0.00 0.00 36.38 31.06 3lgg s VAL 381 CO 0.07 0.33 0.36 0.00 -3.33 0.00 0.00 175.10 172.53 3lgg h PRO 383 N 5.98 0.73 -0.50 0.00 0.13 -1.88 -2.51 132.00 133.96 3lgg h PRO 383 Ca 0.09 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 3lgg h PRO 383 Cb 0.85 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 3lgg h PRO 383 CO 0.59 0.58 0.14 0.82 -0.23 0.00 0.00 178.00 179.89 3lgg h ILE 384 N 0.70 1.23 -0.41 -3.56 2.04 -1.92 -2.50 117.51 113.09 3lgg h ILE 384 Ca 0.18 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.30 3lgg h ILE 384 Cb 0.07 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 3lgg h ILE 384 CO -0.03 0.29 0.10 -1.28 0.00 0.00 0.00 178.15 177.23 3lgg h SER 385 N 0.67 0.04 -0.59 1.72 0.87 -1.81 -0.17 113.55 114.29 3lgg h SER 385 Ca 0.16 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3lgg h SER 385 Cb 0.30 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3lgg h SER 385 CO -0.00 0.06 0.39 0.78 -0.53 0.00 0.00 176.83 177.52 3lgg h ASN 386 N 0.24 0.68 -0.01 6.23 -0.26 -1.20 0.34 115.58 121.59 3lgg h ASN 386 Ca 0.20 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 3lgg h ASN 386 Cb 0.23 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 3lgg h ASN 386 CO -0.24 0.49 -0.05 -0.61 -1.06 0.00 0.00 177.43 175.95 3lgg h GLN 387 N 0.80 0.05 -0.78 0.81 4.15 -1.03 0.29 115.11 119.40 3lgg h GLN 387 Ca 0.21 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 3lgg h GLN 387 Cb -0.09 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 3lgg h GLN 387 CO -0.05 0.73 0.39 0.28 -1.93 0.00 0.00 178.83 178.25 3lgg h VAL 388 N -0.61 1.24 -0.13 2.39 2.07 -0.88 -1.80 116.25 118.53 3lgg h VAL 388 Ca -0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3lgg h VAL 388 Cb 0.74 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3lgg h VAL 388 CO 0.01 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.07 3lgg n LEU 389 N -4.38 0.83 -0.63 2.57 4.77 0.09 -4.91 117.00 115.34 3lgg n LEU 389 Ca 0.07 -0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 55.59 3lgg n LEU 389 Cb 0.13 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3lgg n LEU 389 CO 0.39 0.20 -0.07 0.29 -1.33 0.00 0.00 177.39 176.86 3lgg n LYS 390 N -0.11 -0.52 0.20 3.23 5.02 -0.68 -4.86 118.16 120.44 3lgg n LYS 390 Ca 0.09 0.63 0.06 0.00 -2.02 0.00 0.00 58.31 57.07 3lgg n LYS 390 Cb 0.15 -4.46 0.40 0.00 -0.02 0.00 0.00 35.03 31.10 3lgg n LYS 390 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3lgg h LEU 391 N 0.00 0.00 -7.00 -0.35 4.07 -1.17 -3.46 115.31 107.40 3lgg h LEU 391 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3lgg h LEU 391 Cb 0.66 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.19 3lgg h LEU 391 CO 0.21 0.34 0.04 0.54 -1.08 0.00 0.00 178.44 178.50 3lgg s VAL 392 N -3.86 -0.00 -0.05 1.22 0.11 -1.18 -4.88 120.40 111.75 3lgg s VAL 392 Ca -0.01 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 3lgg s VAL 392 Cb 0.12 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3lgg s VAL 392 CO 0.68 0.00 0.33 0.28 -3.33 0.00 0.00 175.10 173.06 3lgg h SER 393 N 6.47 -0.22 -3.71 3.54 0.02 -1.89 -3.37 113.55 114.40 3lgg h SER 393 Ca -0.30 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 59.98 3lgg h SER 393 Cb 1.21 0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.61 3lgg h SER 393 CO 0.13 0.17 -0.50 -0.62 -1.14 0.00 0.00 176.83 174.88 3lgg s ASP 394 N -4.83 5.96 0.15 3.07 -1.08 -1.26 -4.70 116.67 113.98 3lgg s ASP 394 Ca -0.04 -0.42 0.17 0.00 -0.52 0.00 0.00 52.55 51.74 3lgg s ASP 394 Cb 0.00 -2.11 0.76 0.00 -1.46 0.00 0.00 42.92 40.11 3lgg s ASP 394 CO 0.11 -0.22 1.53 0.18 0.52 0.00 0.00 175.17 177.29 3lgg n LEU 395 N 5.08 0.35 0.28 -1.34 4.77 -0.89 -0.60 117.00 124.65 3lgg n LEU 395 Ca -0.13 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 3lgg n LEU 395 Cb 0.50 -0.59 0.81 0.00 -2.33 0.00 0.00 43.42 41.81 3lgg n LEU 395 CO 0.36 -0.52 1.09 0.03 -1.33 0.00 0.00 177.39 177.01 3lgg h ARG 396 N 0.00 0.00 -0.44 3.23 3.08 -1.78 -2.12 114.38 116.34 3lgg h ARG 396 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lgg h ARG 396 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3lgg h ARG 396 CO 0.00 0.02 0.00 0.09 -1.07 0.00 0.00 179.97 179.01 3lgg n ASN 397 N -4.03 2.35 -4.72 7.04 5.03 0.23 -4.90 115.26 116.26 3lgg n ASN 397 Ca -0.03 -2.02 -0.42 0.00 0.87 0.00 0.00 54.58 52.98 3lgg n ASN 397 Cb 0.11 -0.30 -0.03 0.00 -1.02 0.00 0.00 39.78 38.54 3lgg n ASN 397 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 3lgg s HIS 398 N -1.45 3.12 -0.11 3.10 2.46 -0.80 -4.88 115.29 116.73 3lgg s HIS 398 Ca 0.29 0.77 0.24 0.00 0.47 0.00 0.00 55.06 56.82 3lgg s HIS 398 Cb 0.15 -3.84 1.31 0.00 -0.13 0.00 0.00 32.58 30.07 3lgg s HIS 398 CO 0.19 -3.02 1.74 -1.00 -2.47 0.00 0.00 174.74 170.18 3lgg h PRO 399 N 6.63 0.00 0.00 2.88 0.13 -1.91 -2.05 132.00 137.68 3lgg h PRO 399 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3lgg h PRO 399 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3lgg h PRO 399 CO 0.89 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.94 3lgg h VAL 400 N 0.00 0.00 -0.88 1.56 2.07 -1.89 -3.10 116.25 114.01 3lgg h VAL 400 Ca 0.00 -0.65 0.17 0.00 0.82 0.00 0.00 66.70 67.04 3lgg h VAL 400 Cb 0.00 1.63 -0.10 0.00 -1.52 0.00 0.00 31.29 31.30 3lgg h VAL 400 CO 0.00 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.04 3lgg h ALA 401 N 2.03 1.36 -0.49 1.67 0.00 -1.56 0.13 119.26 122.40 3lgg h ALA 401 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3lgg h ALA 401 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3lgg h ALA 401 CO 0.00 -0.13 -0.00 1.15 0.00 0.00 0.00 179.25 180.26 3lgg h THR 402 N 0.60 1.25 -0.19 0.00 2.02 -1.77 -2.28 112.91 112.53 3lgg h THR 402 Ca 0.50 -1.02 -0.18 0.00 0.77 0.00 0.00 66.41 66.47 3lgg h THR 402 Cb 0.76 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3lgg h THR 402 CO -0.40 0.36 -0.62 -0.07 0.37 0.00 0.00 175.52 175.17 3lgg h LEU 403 N 0.76 0.75 -0.80 2.58 4.07 -1.01 -2.94 115.31 118.73 3lgg h LEU 403 Ca 0.15 -0.43 -0.07 0.00 0.08 0.00 0.00 57.88 57.61 3lgg h LEU 403 Cb 0.47 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 3lgg h LEU 403 CO 0.02 1.19 0.15 0.24 -1.08 0.00 0.00 178.44 178.96 3lgg h MET 404 N 0.49 1.06 0.00 1.13 2.86 -0.76 -0.59 114.93 119.12 3lgg h MET 404 Ca -0.01 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3lgg h MET 404 Cb 1.20 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 3lgg h MET 404 CO 0.12 0.94 -0.02 0.00 1.06 0.00 0.00 176.91 179.02 3lgg h ALA 405 N 1.15 1.24 -0.34 6.32 0.00 -1.23 0.11 119.26 126.51 3lgg h ALA 405 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3lgg h ALA 405 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lgg h ALA 405 CO 0.00 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.53 3lgg n THR 406 N -3.45 1.20 -3.18 0.00 -2.24 -1.06 -3.26 114.28 102.30 3lgg n THR 406 Ca -0.03 -1.13 -0.20 0.00 -2.27 0.00 0.00 64.05 60.42 3lgg n THR 406 Cb 0.11 0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.78 3lgg n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lgg n GLY 407 N 0.37 -0.35 3.76 3.38 0.00 -0.50 -4.81 105.19 107.03 3lgg n GLY 407 Ca 0.13 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3lgg n GLY 407 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lgg s HIS 408 N -3.18 2.49 0.02 1.61 5.04 -0.27 -4.85 115.29 116.14 3lgg s HIS 408 Ca 0.38 1.33 -0.30 0.00 -1.54 0.00 0.00 55.06 54.93 3lgg s HIS 408 Cb -0.17 -3.82 -0.07 0.00 0.04 0.00 0.00 32.58 28.56 3lgg s HIS 408 CO 0.47 -2.72 1.69 -1.25 -2.34 0.00 0.00 174.74 170.59 3lgg s PRO 409 N -2.55 4.19 0.04 2.88 0.04 -1.26 -4.87 135.00 133.46 3lgg s PRO 409 Ca 0.63 2.31 -0.25 0.00 0.04 0.00 0.00 61.00 63.73 3lgg s PRO 409 Cb -0.41 -3.81 0.06 0.00 0.04 0.00 0.00 34.50 30.38 3lgg s PRO 409 CO 0.52 -0.80 0.59 0.00 0.04 0.00 0.00 177.00 177.34 3lgg s MET 410 N 3.38 1.09 0.13 4.56 0.23 -1.26 -2.21 119.30 125.23 3lgg s MET 410 Ca 0.75 -0.12 0.07 0.00 -1.03 0.00 0.00 55.69 55.37 3lgg s MET 410 Cb -0.38 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 3lgg s MET 410 CO 0.32 -0.40 -0.16 0.14 -2.03 0.00 0.00 175.02 172.89 3lgg s VAL 411 N -2.28 1.54 -0.13 5.16 -7.23 -0.36 -4.80 120.40 112.30 3lgg s VAL 411 Ca -0.06 -1.77 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 3lgg s VAL 411 Cb -0.01 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 3lgg s VAL 411 CO -0.00 -0.34 0.08 -0.63 -0.31 0.00 0.00 175.10 173.90 3lgg s ILE 412 N -1.99 4.95 0.32 -0.62 -1.09 -1.26 -0.81 121.20 120.70 3lgg s ILE 412 Ca 0.11 0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 3lgg s ILE 412 Cb -0.06 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 3lgg s ILE 412 CO 0.04 0.56 0.35 -0.24 -1.23 0.00 0.00 174.94 174.42 3lgg n SER 413 N 2.56 -0.92 -0.00 3.58 2.88 -0.64 -4.63 113.62 116.45 3lgg n SER 413 Ca -0.18 -2.92 0.03 0.00 -1.33 0.00 0.00 58.87 54.46 3lgg n SER 413 Cb 0.54 1.91 -0.04 0.00 -0.75 0.00 0.00 64.21 65.87 3lgg n SER 413 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3lgg n SER 414 N -1.73 2.03 0.00 -3.46 3.41 -1.25 -4.27 113.62 108.35 3lgg n SER 414 Ca 0.04 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3lgg n SER 414 Cb 0.55 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 3lgg n SER 414 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3lgg n ASP 415 N -1.42 0.00 -3.16 4.04 2.03 -0.51 -3.20 116.55 114.33 3lgg n ASP 415 Ca -0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.13 3lgg n ASP 415 Cb 0.12 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 3lgg n ASP 415 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3lgg n ASP 416 N 4.11 0.63 -0.30 1.67 8.00 -1.26 -1.98 116.55 127.41 3lgg n ASP 416 Ca 0.00 -3.05 0.14 0.00 0.71 0.00 0.00 54.79 52.58 3lgg n ASP 416 Cb 0.00 -0.46 0.31 0.00 -0.02 0.00 0.00 41.12 40.95 3lgg n ASP 416 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3lgg h PRO 417 N 3.01 0.32 -0.52 -0.24 0.13 -1.45 -0.45 132.00 132.79 3lgg h PRO 417 Ca 0.09 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.25 3lgg h PRO 417 Cb 0.98 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 3lgg h PRO 417 CO 0.48 0.21 0.35 0.00 -0.23 0.00 0.00 178.00 178.80 3lgg h ALA 418 N 1.74 1.82 0.00 -0.56 0.00 -1.39 0.23 119.26 121.10 3lgg h ALA 418 Ca 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 3lgg h ALA 418 Cb 1.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3lgg h ALA 418 CO -0.57 0.10 -0.11 0.52 0.00 0.00 0.00 179.25 179.19 3lgg h MET 419 N 0.53 0.00 -0.02 0.00 2.86 -1.25 -3.12 114.93 113.94 3lgg h MET 419 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3lgg h MET 419 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3lgg h MET 419 CO -0.06 0.11 -0.34 1.19 1.06 0.00 0.00 176.91 178.87 3lgg n PHE 420 N -3.20 0.00 -0.87 -0.22 3.72 -0.60 -1.36 117.46 114.93 3lgg n PHE 420 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3lgg n PHE 420 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3lgg n PHE 420 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lgg n GLY 421 N 1.25 0.51 3.99 1.37 0.00 -0.74 -4.78 105.19 106.79 3lgg n GLY 421 Ca 0.08 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 3lgg n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lgg s ALA 422 N -2.00 4.57 -0.09 4.61 0.00 0.69 -4.99 121.76 124.55 3lgg s ALA 422 Ca 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.04 3lgg s ALA 422 Cb 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 23.12 21.85 3lgg s ALA 422 CO 0.00 -0.62 0.21 0.21 0.00 0.00 0.00 175.76 175.56 3lgg s LYS 423 N -4.49 0.15 7.68 0.00 2.20 -1.26 -3.60 119.74 120.41 3lgg s LYS 423 Ca 0.54 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 3lgg s LYS 423 Cb -0.06 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 3lgg s LYS 423 CO 0.34 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 3lgg n GLY 424 N 4.41 3.16 0.00 5.54 0.00 -1.26 -4.00 105.19 113.04 3lgg n GLY 424 Ca -0.22 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3lgg n GLY 424 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3lgg n LEU 425 N 0.00 0.00 0.05 0.99 7.94 -1.26 -4.63 117.00 120.09 3lgg n LEU 425 Ca 0.00 -0.23 -0.10 0.00 -1.11 0.00 0.00 56.01 54.57 3lgg n LEU 425 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 3lgg n LEU 425 CO 0.00 0.00 0.36 0.28 -1.11 0.00 0.00 177.39 176.92 3lgg h SER 426 N 0.00 0.49 -0.61 1.96 0.02 -1.90 -2.25 113.55 111.26 3lgg h SER 426 Ca 0.00 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 3lgg h SER 426 Cb 0.00 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3lgg h SER 426 CO 0.00 1.06 0.28 1.88 -1.14 0.00 0.00 176.83 178.91 3lgg h TYR 427 N 0.28 0.90 -0.26 3.45 -1.99 -1.90 -0.42 116.97 117.04 3lgg h TYR 427 Ca -0.03 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.52 3lgg h TYR 427 Cb 1.30 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 3lgg h TYR 427 CO 0.04 0.69 -0.37 -0.44 -0.00 0.00 0.00 178.16 178.08 3lgg h ASP 428 N 0.84 0.61 -0.13 3.88 3.32 -1.87 -2.38 116.42 120.69 3lgg h ASP 428 Ca 0.21 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3lgg h ASP 428 Cb 0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3lgg h ASP 428 CO -0.02 0.92 -0.04 -0.26 -1.72 0.00 0.00 179.24 178.11 3lgg h PHE 429 N 0.48 0.40 -0.03 4.55 -1.00 -1.20 -1.87 116.94 118.28 3lgg h PHE 429 Ca 0.05 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 3lgg h PHE 429 Cb 0.87 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.31 3lgg h PHE 429 CO 0.04 0.44 0.01 -0.92 -1.61 0.00 0.00 178.31 176.27 3lgg h TYR 430 N 0.38 0.05 -0.57 -0.55 5.03 -0.68 -1.25 116.97 119.38 3lgg h TYR 430 Ca 0.08 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.39 3lgg h TYR 430 Cb 0.32 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.56 3lgg h TYR 430 CO 0.01 0.20 0.37 0.93 -1.32 0.00 0.00 178.16 178.34 3lgg h GLU 431 N -0.11 0.75 0.28 1.82 4.39 -1.26 0.26 114.58 120.71 3lgg h GLU 431 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3lgg h GLU 431 Cb 0.17 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3lgg h GLU 431 CO -0.00 0.51 -0.13 0.28 -1.16 0.00 0.00 179.01 178.50 3lgg h VAL 432 N 0.77 0.76 -0.35 3.13 2.07 -1.34 0.22 116.25 121.51 3lgg h VAL 432 Ca 0.21 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3lgg h VAL 432 Cb -0.07 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3lgg h VAL 432 CO -0.04 0.05 -0.26 0.15 0.02 0.00 0.00 177.57 177.49 3lgg h PHE 433 N -0.50 0.82 0.03 1.57 3.57 -0.98 0.35 116.94 121.80 3lgg h PHE 433 Ca -0.04 -0.20 -0.37 0.00 3.53 0.00 0.00 57.97 60.90 3lgg h PHE 433 Cb 0.37 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3lgg h PHE 433 CO -0.02 0.91 -2.23 -1.33 -2.23 0.00 0.00 178.31 173.40 3lgg n MET 434 N -4.10 0.68 -0.09 1.11 2.81 0.88 -4.41 117.12 114.00 3lgg n MET 434 Ca -0.00 0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.93 3lgg n MET 434 Cb 0.45 -1.61 -0.05 0.00 -0.71 0.00 0.00 33.22 31.31 3lgg n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3lgg n GLY 435 N 1.99 -0.70 0.12 3.03 0.00 0.68 -4.35 105.19 105.97 3lgg n GLY 435 Ca -0.36 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 3lgg n GLY 435 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lgg h ILE 436 N -1.00 1.38 0.00 -0.61 2.04 -0.89 -3.32 117.51 115.11 3lgg h ILE 436 Ca -0.16 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 62.81 3lgg h ILE 436 Cb 0.98 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 3lgg h ILE 436 CO -0.10 0.86 -0.00 1.23 0.00 0.00 0.00 178.15 180.14 3lgg h GLY 437 N 1.01 0.00 -0.40 5.37 0.00 -0.55 -3.39 103.07 105.12 3lgg h GLY 437 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.18 3lgg h GLY 437 CO 0.23 0.00 -0.07 0.61 0.00 0.00 0.00 176.54 177.32 3lgg n GLY 438 N 1.28 -2.05 0.24 4.60 0.00 -1.25 -3.84 105.19 104.17 3lgg n GLY 438 Ca 0.05 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.79 3lgg n GLY 438 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3lgg h MET 439 N 0.00 0.00 -0.01 1.61 4.05 -1.88 -2.99 114.93 115.71 3lgg h MET 439 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3lgg h MET 439 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3lgg h MET 439 CO 0.00 0.16 -0.21 1.63 0.23 0.00 0.00 176.91 178.72 3lgg n LYS 440 N -3.34 1.16 -1.92 0.39 4.76 -1.26 -4.84 118.16 113.10 3lgg n LYS 440 Ca 0.00 -0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 54.27 3lgg n LYS 440 Cb 0.38 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 3lgg n LYS 440 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lgg s ALA 441 N -2.36 3.70 0.00 7.82 0.00 -1.13 -4.98 121.76 124.82 3lgg s ALA 441 Ca 0.27 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3lgg s ALA 441 Cb 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3lgg s ALA 441 CO 0.47 -1.05 0.00 -0.40 0.00 0.00 0.00 175.76 174.79 3lgg n ASP 442 N 5.30 1.34 0.23 0.00 5.68 -1.26 -4.99 116.55 122.86 3lgg n ASP 442 Ca 0.16 -0.16 0.06 0.00 -0.50 0.00 0.00 54.79 54.34 3lgg n ASP 442 Cb 0.40 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 40.92 3lgg n ASP 442 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3lgg h LEU 443 N 0.00 0.00 -0.35 -2.12 5.85 -1.93 -2.44 115.31 114.32 3lgg h LEU 443 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3lgg h LEU 443 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3lgg h LEU 443 CO 0.00 0.13 0.06 0.03 -0.34 0.00 0.00 178.44 178.33 3lgg h ARG 444 N 0.00 0.57 -0.33 1.25 3.08 -1.92 -0.61 114.38 116.42 3lgg h ARG 444 Ca -0.00 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 59.97 3lgg h ARG 444 Cb 0.23 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 3lgg h ARG 444 CO 0.02 0.64 -0.13 1.15 -1.07 0.00 0.00 179.97 180.57 3lgg h THR 445 N 0.41 0.56 -0.03 2.04 2.02 -1.54 0.68 112.91 117.05 3lgg h THR 445 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3lgg h THR 445 Cb 0.34 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3lgg h THR 445 CO 0.01 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.84 3lgg h LEU 446 N -0.07 0.03 -0.03 2.58 3.38 -1.37 -1.43 115.31 118.40 3lgg h LEU 446 Ca 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3lgg h LEU 446 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3lgg h LEU 446 CO -0.38 0.04 -0.01 0.50 0.09 0.00 0.00 178.44 178.68 3lgg h LYS 447 N 0.03 0.00 -0.78 1.13 3.64 -0.81 -0.41 116.57 119.38 3lgg h LYS 447 Ca 0.01 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3lgg h LYS 447 Cb 0.01 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 3lgg h LYS 447 CO -0.00 0.00 0.41 0.37 -2.27 0.00 0.00 179.45 177.96 3lgg h GLN 448 N 0.00 0.66 -0.32 1.90 5.75 -0.74 -0.72 115.11 121.66 3lgg h GLN 448 Ca 0.02 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 3lgg h GLN 448 Cb 0.02 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 3lgg h GLN 448 CO -0.03 0.44 -0.27 -0.07 -2.65 0.00 0.00 178.83 176.25 3lgg h LEU 449 N 0.68 0.66 -0.15 -2.39 3.38 -0.67 0.52 115.31 117.35 3lgg h LEU 449 Ca 0.39 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3lgg h LEU 449 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3lgg h LEU 449 CO -0.27 0.90 0.06 0.00 0.09 0.00 0.00 178.44 179.22 3lgg h ALA 450 N 1.14 0.19 -0.40 1.53 0.00 -0.43 -2.94 119.26 118.35 3lgg h ALA 450 Ca 0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3lgg h ALA 450 Cb 0.75 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3lgg h ALA 450 CO 0.06 -0.23 -0.17 0.52 0.00 0.00 0.00 179.25 179.42 3lgg h MET 451 N 0.09 0.82 -0.97 0.00 2.86 -1.00 -2.86 114.93 113.88 3lgg h MET 451 Ca 0.05 -0.35 0.22 0.00 -2.06 0.00 0.00 59.70 57.56 3lgg h MET 451 Cb 0.15 -0.03 -0.12 0.00 0.06 0.00 0.00 31.60 31.66 3lgg h MET 451 CO -0.00 0.98 0.54 -0.91 1.06 0.00 0.00 176.91 178.57 3lgg h ASN 452 N 0.62 0.61 0.83 1.22 2.35 -0.93 0.08 115.58 120.36 3lgg h ASN 452 Ca 0.09 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3lgg h ASN 452 Cb 0.72 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3lgg h ASN 452 CO 0.05 0.13 0.00 0.77 -1.65 0.00 0.00 177.43 176.73 3lgg h SER 453 N 0.58 0.00 0.10 5.81 4.64 -1.31 0.19 113.55 123.55 3lgg h SER 453 Ca 0.60 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.61 3lgg h SER 453 Cb 1.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 3lgg h SER 453 CO -0.46 0.00 -1.67 0.40 -0.87 0.00 0.00 176.83 174.23 3lgg h ILE 454 N 0.00 0.81 -0.57 0.95 2.04 -1.19 -3.30 117.51 116.25 3lgg h ILE 454 Ca 0.00 -2.32 0.01 0.00 1.00 0.00 0.00 64.86 63.54 3lgg h ILE 454 Cb 0.41 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 3lgg h ILE 454 CO 0.00 0.71 0.38 0.50 0.00 0.00 0.00 178.15 179.73 3lgg h LYS 455 N -0.28 0.75 -0.49 2.37 3.64 -0.56 -2.98 116.57 119.02 3lgg h LYS 455 Ca -0.37 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3lgg h LYS 455 Cb 1.79 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3lgg h LYS 455 CO 0.01 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 3lgg n TYR 456 N -4.69 0.66 -1.46 1.91 4.01 0.61 -4.90 117.16 113.29 3lgg n TYR 456 Ca 0.04 -0.33 -0.29 0.00 -0.16 0.00 0.00 57.90 57.16 3lgg n TYR 456 Cb 0.02 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.19 3lgg n TYR 456 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3lgg s SER 457 N -1.02 3.39 -0.02 7.72 1.04 -1.13 -4.97 113.70 118.71 3lgg s SER 457 Ca 0.34 1.03 0.17 0.00 0.48 0.00 0.00 55.95 57.97 3lgg s SER 457 Cb 0.17 -1.63 0.54 0.00 0.10 0.00 0.00 66.02 65.20 3lgg s SER 457 CO 0.23 -2.63 1.45 0.35 0.98 0.00 0.00 173.24 173.62 3lgg n THR 458 N -3.83 0.98 -1.13 2.02 -2.24 -1.26 -4.96 114.28 103.86 3lgg n THR 458 Ca 0.06 -0.84 -0.33 0.00 -2.27 0.00 0.00 64.05 60.68 3lgg n THR 458 Cb 0.59 0.31 0.12 0.00 -2.10 0.00 0.00 70.33 69.25 3lgg n THR 458 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3lgg s LEU 459 N -1.15 3.10 0.64 3.22 1.43 -1.26 -5.00 118.68 119.66 3lgg s LEU 459 Ca 0.40 2.22 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 3lgg s LEU 459 Cb 0.22 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 3lgg s LEU 459 CO 0.25 -2.55 1.20 -0.76 0.23 0.00 0.00 176.35 174.72 3lgg s LEU 460 N -5.80 3.53 0.36 1.79 1.43 -1.26 -4.79 118.68 113.94 3lgg s LEU 460 Ca 0.70 2.35 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 3lgg s LEU 460 Cb -0.25 -4.59 0.78 0.00 0.03 0.00 0.00 46.19 42.16 3lgg s LEU 460 CO 0.51 -1.81 1.94 -0.33 0.23 0.00 0.00 176.35 176.89 3lgg h GLU 461 N 0.43 0.70 -0.09 1.70 4.39 -1.99 0.15 114.58 119.87 3lgg h GLU 461 Ca -0.49 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.03 3lgg h GLU 461 Cb 1.29 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3lgg h GLU 461 CO 0.53 0.46 -0.55 0.66 -1.16 0.00 0.00 179.01 178.95 3lgg h SER 462 N 0.72 0.29 0.16 1.42 4.64 -2.00 -2.28 113.55 116.51 3lgg h SER 462 Ca 0.35 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 3lgg h SER 462 Cb 0.40 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3lgg h SER 462 CO -0.13 0.79 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.81 3lgg h GLU 463 N 0.20 0.38 -0.72 4.77 5.08 -1.49 -2.77 114.58 120.04 3lgg h GLU 463 Ca 0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3lgg h GLU 463 Cb 1.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 3lgg h GLU 463 CO 0.09 0.78 0.31 0.87 -1.00 0.00 0.00 179.01 180.06 3lgg h LYS 464 N 0.30 1.05 -0.19 2.33 1.57 -0.51 -1.37 116.57 119.75 3lgg h LYS 464 Ca 0.02 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3lgg h LYS 464 Cb 0.96 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3lgg h LYS 464 CO 0.08 0.85 0.10 -0.91 -0.57 0.00 0.00 179.45 179.00 3lgg h ASN 465 N 1.01 0.15 -0.97 0.86 2.35 -1.33 0.16 115.58 117.81 3lgg h ASN 465 Ca 0.24 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 3lgg h ASN 465 Cb 0.17 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 3lgg h ASN 465 CO -0.02 0.12 0.65 0.74 -1.65 0.00 0.00 177.43 177.26 3lgg h THR 466 N 0.21 1.25 -0.31 2.81 2.02 -1.36 0.46 112.91 117.99 3lgg h THR 466 Ca 0.08 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3lgg h THR 466 Cb 0.01 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.22 3lgg h THR 466 CO -0.05 0.24 0.08 0.15 0.37 0.00 0.00 175.52 176.31 3lgg h PHE 467 N 1.32 0.52 -0.65 3.16 3.04 -0.95 -1.69 116.94 121.70 3lgg h PHE 467 Ca 0.36 -0.06 0.01 0.00 3.98 0.00 0.00 57.97 62.25 3lgg h PHE 467 Cb -0.15 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.18 3lgg h PHE 467 CO -0.00 0.55 0.43 1.98 -2.02 0.00 0.00 178.31 179.24 3lgg h MET 468 N 0.35 0.85 -0.07 1.11 4.05 -0.12 0.20 114.93 121.31 3lgg h MET 468 Ca 0.10 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 3lgg h MET 468 Cb 0.28 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3lgg h MET 468 CO 0.00 0.57 -0.13 1.49 0.23 0.00 0.00 176.91 179.07 3lgg h GLU 469 N 0.88 -0.17 -0.33 0.39 4.57 -0.76 0.20 114.58 119.36 3lgg h GLU 469 Ca 0.24 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 3lgg h GLU 469 Cb -0.10 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3lgg h GLU 469 CO -0.05 -0.11 0.17 0.82 -1.18 0.00 0.00 179.01 178.65 3lgg h ILE 470 N -0.18 1.15 -0.58 2.32 2.04 -1.06 -3.03 117.51 118.17 3lgg h ILE 470 Ca 0.07 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 3lgg h ILE 470 Cb 0.27 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3lgg h ILE 470 CO -0.18 0.16 0.19 -0.25 0.00 0.00 0.00 178.15 178.07 3lgg h TRP 471 N 0.41 0.93 -0.85 1.37 7.01 -0.71 -2.75 115.95 121.36 3lgg h TRP 471 Ca 0.12 -0.09 0.08 0.00 2.11 0.00 0.00 58.89 61.10 3lgg h TRP 471 Cb 0.10 -0.27 -0.07 0.00 -2.10 0.00 0.00 29.16 26.82 3lgg h TRP 471 CO -0.02 0.78 0.51 -0.22 -2.79 0.00 0.00 178.44 176.69 3lgg h LYS 472 N 0.82 0.86 -0.51 2.65 1.63 -0.54 0.19 116.57 121.67 3lgg h LYS 472 Ca 0.19 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.81 3lgg h LYS 472 Cb 0.28 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3lgg h LYS 472 CO -0.01 0.57 -0.18 0.87 -3.45 0.00 0.00 179.45 177.25 3lgg h LYS 473 N 0.89 1.02 -0.10 1.90 1.57 -1.41 -0.51 116.57 119.93 3lgg h LYS 473 Ca 0.39 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3lgg h LYS 473 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3lgg h LYS 473 CO -0.21 1.10 -0.27 0.00 -0.57 0.00 0.00 179.45 179.50 3lgg h ARG 474 N 0.88 0.17 0.11 3.15 3.08 -1.13 -2.80 114.38 117.84 3lgg h ARG 474 Ca 0.12 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3lgg h ARG 474 Cb 0.76 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3lgg h ARG 474 CO 0.06 0.44 -0.05 2.35 -1.07 0.00 0.00 179.97 181.70 3lgg h TRP 475 N 0.16 -0.14 -0.67 3.04 2.91 -0.11 -1.96 115.95 119.18 3lgg h TRP 475 Ca 0.02 -0.00 0.11 0.00 1.13 0.00 0.00 58.89 60.15 3lgg h TRP 475 Cb 0.57 0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 29.18 3lgg h TRP 475 CO 0.01 0.19 0.27 -0.44 -1.03 0.00 0.00 178.44 177.43 3lgg h ASP 476 N -0.47 0.28 -0.87 2.65 3.32 -1.09 0.14 116.42 120.38 3lgg h ASP 476 Ca -0.02 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3lgg h ASP 476 Cb 0.39 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 3lgg h ASP 476 CO 0.02 0.15 0.57 0.50 -1.72 0.00 0.00 179.24 178.77 3lgg h LYS 477 N 0.45 1.11 -0.09 3.56 1.63 -1.48 -1.19 116.57 120.56 3lgg h LYS 477 Ca 0.35 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 3lgg h LYS 477 Cb 0.45 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3lgg h LYS 477 CO -0.33 0.74 0.02 0.35 -3.45 0.00 0.00 179.45 176.77 3lgg h PHE 478 N 1.15 0.16 -0.39 1.91 3.57 -0.49 -2.35 116.94 120.49 3lgg h PHE 478 Ca 0.33 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.89 3lgg h PHE 478 Cb -0.08 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.55 3lgg h PHE 478 CO -0.01 0.35 -0.08 0.82 -2.23 0.00 0.00 178.31 177.16 3lgg h ILE 479 N -0.08 0.63 -0.88 1.41 1.08 -0.43 -1.78 117.51 117.47 3lgg h ILE 479 Ca 0.03 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.47 3lgg h ILE 479 Cb 0.27 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3lgg h ILE 479 CO 0.00 0.00 0.48 0.00 -0.69 0.00 0.00 178.15 177.94 3lgg h ALA 480 N 1.38 1.18 0.24 1.87 0.00 -1.20 0.00 119.26 122.73 3lgg h ALA 480 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3lgg h ALA 480 Cb 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3lgg h ALA 480 CO -0.38 0.65 -0.12 -0.44 0.00 0.00 0.00 179.25 178.97 3lgg h ASP 481 N 1.23 -0.27 -0.29 0.00 3.32 -0.99 -2.72 116.42 116.70 3lgg h ASP 481 Ca 0.31 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 3lgg h ASP 481 Cb 0.03 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3lgg h ASP 481 CO -0.05 -0.16 -0.14 0.58 -1.72 0.00 0.00 179.24 177.75 3lgg h VAL 482 N -0.36 1.26 0.00 -1.35 2.07 -1.12 -1.38 116.25 115.36 3lgg h VAL 482 Ca -0.03 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3lgg h VAL 482 Cb 0.28 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3lgg h VAL 482 CO 0.05 0.40 -0.02 0.00 0.02 0.00 0.00 177.57 178.03 3lgg h ALA 483 N 1.19 1.11 0.00 1.67 0.00 -1.00 -3.45 119.26 118.77 3lgg h ALA 483 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3lgg h ALA 483 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3lgg h ALA 483 CO 0.04 0.02 0.00 2.41 0.00 0.00 0.00 179.25 181.72