#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqm h ARG 15 N 0.00 0.30 -0.30 -0.41 2.43 -1.99 -2.29 114.38 112.11 3gqm h ARG 15 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3gqm h ARG 15 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3gqm h ARG 15 CO 0.00 0.20 -0.01 0.28 -1.51 0.00 0.00 179.97 178.92 3gqm h VAL 16 N 0.31 1.26 -0.72 0.20 2.07 -1.99 -0.13 116.25 117.25 3gqm h VAL 16 Ca 0.51 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3gqm h VAL 16 Cb 1.45 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 3gqm h VAL 16 CO -0.17 0.32 0.43 0.74 0.02 0.00 0.00 177.57 178.90 3gqm h THR 17 N 0.33 1.21 -0.27 2.57 2.02 -1.94 -1.37 112.91 115.45 3gqm h THR 17 Ca 0.08 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 3gqm h THR 17 Cb 0.46 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3gqm h THR 17 CO 0.02 0.22 -0.13 -0.07 0.37 0.00 0.00 175.52 175.92 3gqm h LEU 18 N 0.98 0.59 -0.43 2.58 3.38 -1.21 -2.26 115.31 118.94 3gqm h LEU 18 Ca 0.26 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3gqm h LEU 18 Cb -0.02 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 3gqm h LEU 18 CO -0.05 0.87 -0.18 -0.09 0.09 0.00 0.00 178.44 179.08 3gqm h ARG 19 N 0.31 -0.09 -0.39 1.13 2.43 -0.92 0.17 114.38 117.03 3gqm h ARG 19 Ca 0.06 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3gqm h ARG 19 Cb 0.64 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3gqm h ARG 19 CO 0.04 -0.06 0.19 -0.22 -1.51 0.00 0.00 179.97 178.41 3gqm h LYS 20 N -0.09 0.38 -0.72 0.20 3.64 -1.10 0.30 116.57 119.19 3gqm h LYS 20 Ca 0.21 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3gqm h LYS 20 Cb 0.41 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3gqm h LYS 20 CO -0.49 0.25 0.31 0.00 -2.27 0.00 0.00 179.45 177.25 3gqm h ALA 21 N 1.21 0.93 0.22 5.00 0.00 -0.84 0.36 119.26 126.13 3gqm h ALA 21 Ca 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gqm h ALA 21 Cb 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gqm h ALA 21 CO -0.12 0.52 -0.12 1.15 0.00 0.00 0.00 179.25 180.68 3gqm h THR 22 N 1.01 0.75 -0.62 0.00 2.02 -0.02 -1.62 112.91 114.42 3gqm h THR 22 Ca 0.24 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.46 3gqm h THR 22 Cb 0.17 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3gqm h THR 22 CO -0.02 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.17 3gqm h LEU 23 N -0.32 0.59 -0.11 2.58 3.38 -0.88 0.53 115.31 121.08 3gqm h LEU 23 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gqm h LEU 23 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gqm h LEU 23 CO 0.03 0.40 0.05 0.00 0.09 0.00 0.00 178.44 179.02 3gqm h ALA 24 N 1.29 0.14 -0.57 1.53 0.00 -0.74 -0.99 119.26 119.92 3gqm h ALA 24 Ca 0.26 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3gqm h ALA 24 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gqm h ALA 24 CO -0.12 -0.30 -0.06 0.66 0.00 0.00 0.00 179.25 179.42 3gqm h SER 25 N 0.06 1.04 -0.19 0.00 4.64 -1.05 -2.02 113.55 116.03 3gqm h SER 25 Ca 0.04 -0.33 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3gqm h SER 25 Cb 0.11 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.85 3gqm h SER 25 CO -0.00 1.12 -0.27 0.25 -0.87 0.00 0.00 176.83 177.06 3gqm h LEU 26 N 0.93 -0.85 -1.06 5.97 5.85 -0.72 -2.35 115.31 123.08 3gqm h LEU 26 Ca 0.15 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3gqm h LEU 26 Cb 0.63 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3gqm h LEU 26 CO 0.04 -0.31 0.63 0.24 -0.34 0.00 0.00 178.44 178.71 3gqm h MET 27 N -0.31 1.24 -0.02 1.25 2.86 -0.97 -2.52 114.93 116.46 3gqm h MET 27 Ca 0.12 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3gqm h MET 27 Cb 0.49 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3gqm h MET 27 CO -0.36 0.82 -0.25 1.96 1.06 0.00 0.00 176.91 180.14 3gqm h GLN 28 N 1.27 0.03 0.00 1.72 4.20 -1.06 -2.93 115.11 118.34 3gqm h GLN 28 Ca 0.36 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.06 3gqm h GLN 28 Cb -0.10 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3gqm h GLN 28 CO -0.09 0.28 0.00 -1.13 -0.67 0.00 0.00 178.83 177.22 3gqm n SER 29 N -4.23 0.14 -0.04 1.46 3.41 -0.91 -3.55 113.62 109.89 3gqm n SER 29 Ca -0.02 0.52 0.16 0.00 -0.26 0.00 0.00 58.87 59.27 3gqm n SER 29 Cb 0.31 -0.56 0.86 0.00 -0.26 0.00 0.00 64.21 64.56 3gqm n SER 29 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gqm n LEU 30 N -1.64 0.14 0.13 1.04 4.32 -1.11 -0.47 117.00 119.42 3gqm n LEU 30 Ca 0.05 0.02 0.12 0.00 -0.02 0.00 0.00 56.01 56.18 3gqm n LEU 30 Cb 0.27 -0.06 0.27 0.00 -1.62 0.00 0.00 43.42 42.28 3gqm n LEU 30 CO 0.21 0.02 0.72 0.77 -1.22 0.00 0.00 177.39 177.90 3gqm h SER 31 N 0.21 0.00 -3.63 -1.43 4.64 -1.78 -3.40 113.55 108.17 3gqm h SER 31 Ca 0.00 -0.03 -0.51 0.00 -0.47 0.00 0.00 61.79 60.78 3gqm h SER 31 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3gqm h SER 31 CO 0.00 0.02 0.44 -0.83 -0.87 0.00 0.00 176.83 175.58 3gqm s GLY 32 N -3.84 2.95 0.06 -0.77 0.00 0.38 -4.98 107.32 101.11 3gqm s GLY 32 Ca 0.08 0.76 -0.26 0.00 0.00 0.00 0.00 44.72 45.30 3gqm s GLY 32 CO 0.65 1.53 1.57 -2.09 0.00 0.00 0.00 173.10 174.76 3gqm h GLU 33 N 4.84 -0.23 -0.36 2.90 4.81 -1.87 0.12 114.58 124.79 3gqm h GLU 33 Ca -0.45 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3gqm h GLU 33 Cb 1.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3gqm h GLU 33 CO 0.71 -0.05 0.09 0.77 -0.73 0.00 0.00 179.01 179.80 3gqm h SER 34 N -0.37 0.54 0.12 1.04 0.02 -1.93 -1.74 113.55 111.23 3gqm h SER 34 Ca -0.02 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3gqm h SER 34 Cb 0.29 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3gqm h SER 34 CO 0.04 0.62 -0.09 0.28 -1.14 0.00 0.00 176.83 176.54 3gqm h SER 35 N 0.43 -0.23 -0.20 3.07 0.02 -1.77 -1.95 113.55 112.92 3gqm h SER 35 Ca 0.11 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3gqm h SER 35 Cb 0.29 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 3gqm h SER 35 CO -0.00 -0.14 -0.22 -1.13 -1.14 0.00 0.00 176.83 174.20 3gqm h ASN 36 N -0.22 -0.70 -0.46 3.07 -0.73 -0.57 0.12 115.58 116.09 3gqm h ASN 36 Ca -0.01 0.12 -0.08 0.00 1.87 0.00 0.00 56.30 58.21 3gqm h ASN 36 Cb 0.19 0.33 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 3gqm h ASN 36 CO -0.00 -0.26 0.01 0.03 -0.37 0.00 0.00 177.43 176.83 3gqm h ARG 37 N -0.25 0.87 -0.45 6.67 3.08 -1.27 -0.78 114.38 122.25 3gqm h ARG 37 Ca 0.12 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 3gqm h ARG 37 Cb 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3gqm h ARG 37 CO -0.34 0.86 -0.22 0.28 -1.07 0.00 0.00 179.97 179.48 3gqm h VAL 38 N 0.81 1.27 0.10 2.04 2.07 -1.11 -3.32 116.25 118.11 3gqm h VAL 38 Ca 0.15 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3gqm h VAL 38 Cb 0.47 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3gqm h VAL 38 CO 0.02 0.47 -0.05 -0.03 0.02 0.00 0.00 177.57 178.00 3gqm h MET 39 N 0.80 -0.12 -3.47 1.57 1.85 -0.74 -3.39 114.93 111.42 3gqm h MET 39 Ca 0.10 0.01 -0.74 0.00 -0.61 0.00 0.00 59.70 58.46 3gqm h MET 39 Cb 0.78 0.03 -0.32 0.00 0.43 0.00 0.00 31.60 32.52 3gqm h MET 39 CO 0.06 0.28 0.09 -1.58 -0.40 0.00 0.00 176.91 175.36 3gqm s TRP 40 N -4.38 3.98 0.02 1.39 0.23 -0.32 -4.82 118.94 115.04 3gqm s TRP 40 Ca -0.15 -2.80 0.00 0.00 -2.03 0.00 0.00 56.10 51.12 3gqm s TRP 40 Cb 0.02 -3.49 -0.02 0.00 0.03 0.00 0.00 33.47 30.01 3gqm s TRP 40 CO 0.62 -0.84 -0.04 1.21 0.96 0.00 0.00 176.95 178.86 3gqm s ASN 41 N 0.62 0.33 -0.19 2.95 3.84 -1.26 -4.74 114.94 116.49 3gqm s ASN 41 Ca 0.27 -0.49 0.15 0.00 0.21 0.00 0.00 52.86 53.00 3gqm s ASN 41 Cb -0.09 0.09 0.74 0.00 -0.55 0.00 0.00 41.25 41.43 3gqm s ASN 41 CO -0.10 -0.27 1.66 -0.90 -2.79 0.00 0.00 177.10 174.70 3gqm n ASP 42 N 1.62 5.16 -4.62 -4.21 3.85 -1.26 -4.87 116.55 112.23 3gqm n ASP 42 Ca -0.23 -2.82 -0.41 0.00 -0.71 0.00 0.00 54.79 50.62 3gqm n ASP 42 Cb 0.55 -0.63 -0.06 0.00 -1.35 0.00 0.00 41.12 39.63 3gqm n ASP 42 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3gqm s ARG 43 N -2.53 4.02 0.00 0.11 3.52 -1.26 -4.92 118.95 117.90 3gqm s ARG 43 Ca 0.51 0.53 0.04 0.00 -0.13 0.00 0.00 55.73 56.69 3gqm s ARG 43 Cb 0.38 -3.69 0.03 0.00 -1.56 0.00 0.00 34.95 30.10 3gqm s ARG 43 CO 0.17 -0.53 0.58 0.66 -0.81 0.00 0.00 175.30 175.37 3gqm n TYR 44 N 5.91 0.00 0.93 5.12 4.01 -1.26 -4.50 117.16 127.37 3gqm n TYR 44 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.87 3gqm n TYR 44 Cb 0.49 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.67 3gqm n TYR 44 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3gqm n ASP 45 N 0.09 0.62 -4.71 7.72 5.75 -1.26 -3.44 116.55 121.31 3gqm n ASP 45 Ca 0.02 -0.37 -0.28 0.00 -0.01 0.00 0.00 54.79 54.15 3gqm n ASP 45 Cb 0.10 0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.57 3gqm n ASP 45 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3gqm s THR 46 N -3.03 4.10 0.27 2.12 2.01 -1.26 -4.83 115.64 115.01 3gqm s THR 46 Ca 0.09 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 3gqm s THR 46 Cb 0.17 -3.01 -0.11 0.00 0.01 0.00 0.00 72.50 69.55 3gqm s THR 46 CO 0.74 0.01 1.57 -0.76 -0.69 0.00 0.00 174.62 175.50 3gqm s LEU 47 N -2.65 4.36 0.23 4.42 1.43 -1.26 -4.78 118.68 120.43 3gqm s LEU 47 Ca 0.28 2.87 -0.08 0.00 -1.03 0.00 0.00 54.13 56.16 3gqm s LEU 47 Cb -0.11 -3.63 0.39 0.00 0.03 0.00 0.00 46.19 42.87 3gqm s LEU 47 CO 0.20 -0.87 1.66 0.25 0.23 0.00 0.00 176.35 177.82 3gqm h LEU 48 N 5.14 -0.23 -0.01 1.79 6.46 -1.91 -1.49 115.31 125.06 3gqm h LEU 48 Ca -0.46 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3gqm h LEU 48 Cb 1.22 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 3gqm h LEU 48 CO 0.81 -0.12 0.00 2.30 -0.62 0.00 0.00 178.44 180.81 3gqm n ILE 49 N -5.28 0.16 1.74 4.05 -5.35 -1.26 -1.85 119.36 111.57 3gqm n ILE 49 Ca 0.12 0.02 0.15 0.00 -0.27 0.00 0.00 62.75 62.77 3gqm n ILE 49 Cb 0.42 -0.57 0.85 0.00 -1.74 0.00 0.00 39.64 38.61 3gqm n ILE 49 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gqm n ALA 50 N -1.52 2.61 -2.08 -1.28 0.00 -0.56 -4.88 120.51 112.80 3gqm n ALA 50 Ca 0.06 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3gqm n ALA 50 Cb 0.32 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3gqm n ALA 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gqm s ARG 51 N -2.25 4.27 -0.35 0.00 0.52 -0.77 -4.99 118.95 115.37 3gqm s ARG 51 Ca 0.39 2.17 -0.14 0.00 -0.52 0.00 0.00 55.73 57.64 3gqm s ARG 51 Cb 0.21 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 3gqm s ARG 51 CO 0.41 -0.54 0.27 0.34 0.02 0.00 0.00 175.30 175.80 3gqm s ASP 52 N 1.40 6.09 0.37 0.23 -1.08 -1.26 -4.93 116.67 117.50 3gqm s ASP 52 Ca 0.67 -0.46 0.12 0.00 -0.52 0.00 0.00 52.55 52.36 3gqm s ASP 52 Cb -0.38 -2.15 0.74 0.00 -1.46 0.00 0.00 42.92 39.66 3gqm s ASP 52 CO 0.30 -0.29 1.84 1.55 0.52 0.00 0.00 175.17 179.09 3gqm h PRO 53 N 8.51 0.05 -0.05 4.34 0.13 -1.92 -1.47 132.00 141.58 3gqm h PRO 53 Ca -0.30 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3gqm h PRO 53 Cb 1.15 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gqm h PRO 53 CO 0.66 0.37 0.01 0.00 -0.23 0.00 0.00 178.00 178.81 3gqm h ARG 54 N 0.04 0.09 -0.73 0.86 3.08 -1.98 -1.84 114.38 113.90 3gqm h ARG 54 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3gqm h ARG 54 Cb 0.60 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 3gqm h ARG 54 CO 0.04 0.32 0.42 0.93 -1.07 0.00 0.00 179.97 180.61 3gqm h GLU 55 N -0.16 1.00 -0.39 0.04 5.08 -1.94 0.92 114.58 119.14 3gqm h GLU 55 Ca 0.02 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3gqm h GLU 55 Cb 0.27 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3gqm h GLU 55 CO 0.00 0.73 0.14 0.82 -1.00 0.00 0.00 179.01 179.70 3gqm h ILE 56 N 1.00 0.89 -0.59 3.13 2.04 -1.28 0.22 117.51 122.92 3gqm h ILE 56 Ca 0.26 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3gqm h ILE 56 Cb 0.00 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3gqm h ILE 56 CO -0.05 0.05 0.25 0.50 0.00 0.00 0.00 178.15 178.91 3gqm h LYS 57 N 0.30 0.88 -0.32 2.37 3.64 -0.74 -1.28 116.57 121.42 3gqm h LYS 57 Ca 0.18 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3gqm h LYS 57 Cb 0.15 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3gqm h LYS 57 CO -0.18 0.74 0.12 -0.91 -2.27 0.00 0.00 179.45 176.95 3gqm h ASN 58 N 0.82 0.40 -0.36 4.20 2.35 -0.31 -1.34 115.58 121.33 3gqm h ASN 58 Ca 0.20 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3gqm h ASN 58 Cb 0.17 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3gqm h ASN 58 CO -0.02 0.38 -0.14 0.00 -1.65 0.00 0.00 177.43 176.00 3gqm h ALA 59 N 1.69 0.51 -0.43 -0.83 0.00 0.21 -0.21 119.26 120.20 3gqm h ALA 59 Ca 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3gqm h ALA 59 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gqm h ALA 59 CO -0.01 0.41 0.22 0.82 0.00 0.00 0.00 179.25 180.69 3gqm h ILE 60 N 0.53 1.17 -0.17 0.00 2.04 -1.03 -0.66 117.51 119.39 3gqm h ILE 60 Ca 0.09 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3gqm h ILE 60 Cb 0.67 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3gqm h ILE 60 CO 0.05 0.19 -0.08 -0.33 0.00 0.00 0.00 178.15 177.98 3gqm h GLU 61 N 0.56 -0.05 -0.20 2.37 5.08 -1.03 -0.26 114.58 121.05 3gqm h GLU 61 Ca 0.15 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3gqm h GLU 61 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 3gqm h GLU 61 CO -0.02 -0.04 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.58 3gqm h LYS 62 N -0.05 -0.15 -0.91 2.33 3.64 -0.86 -0.85 116.57 119.71 3gqm h LYS 62 Ca 0.09 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3gqm h LYS 62 Cb 0.19 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 3gqm h LYS 62 CO -0.21 -0.10 0.57 1.03 -2.27 0.00 0.00 179.45 178.47 3gqm h SER 63 N -0.16 0.87 -0.53 4.20 0.87 -0.70 0.49 113.55 118.59 3gqm h SER 63 Ca 0.12 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 3gqm h SER 63 Cb 0.33 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3gqm h SER 63 CO -0.29 0.52 -0.10 0.58 -0.53 0.00 0.00 176.83 177.01 3gqm h VAL 64 N 0.99 1.27 -0.33 2.23 2.07 -0.20 -2.07 116.25 120.20 3gqm h VAL 64 Ca 0.42 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3gqm h VAL 64 Cb 0.27 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3gqm h VAL 64 CO -0.21 0.44 0.17 0.74 0.02 0.00 0.00 177.57 178.73 3gqm h THR 65 N 0.90 1.15 -1.01 2.57 2.02 -0.38 -1.08 112.91 117.09 3gqm h THR 65 Ca 0.14 -0.43 0.27 0.00 0.77 0.00 0.00 66.41 67.16 3gqm h THR 65 Cb 0.66 0.83 -0.13 0.00 -1.74 0.00 0.00 68.15 67.77 3gqm h THR 65 CO 0.05 0.16 0.59 0.44 0.37 0.00 0.00 175.52 177.13 3gqm h ASP 66 N 0.40 0.63 -0.09 4.18 3.32 -0.60 0.27 116.42 124.54 3gqm h ASP 66 Ca 0.11 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3gqm h ASP 66 Cb 0.10 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gqm h ASP 66 CO -0.02 0.05 0.00 0.49 -1.72 0.00 0.00 179.24 178.04 3gqm n PHE 67 N -4.92 0.12 -2.54 4.55 3.72 -0.51 -4.88 117.46 113.01 3gqm n PHE 67 Ca 0.28 -0.06 -0.02 0.00 -0.05 0.00 0.00 57.45 57.60 3gqm n PHE 67 Cb 0.81 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.36 3gqm n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqm n GLY 68 N 0.94 0.78 0.00 1.37 0.00 0.96 -4.28 105.19 104.96 3gqm n GLY 68 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3gqm n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqm n GLY 69 N -0.67 0.64 0.21 -0.02 0.00 -0.64 -4.46 105.19 100.25 3gqm n GLY 69 Ca -0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 3gqm n GLY 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gqm h LEU 70 N 0.00 0.58 -0.93 0.99 5.85 -1.92 0.10 115.31 119.97 3gqm h LEU 70 Ca 0.00 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 3gqm h LEU 70 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3gqm h LEU 70 CO 0.00 0.42 -0.47 1.05 -0.34 0.00 0.00 178.44 179.09 3gqm h GLU 71 N 0.68 0.14 -0.51 1.25 4.11 -1.97 -1.98 114.58 116.29 3gqm h GLU 71 Ca 0.18 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.44 3gqm h GLU 71 Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3gqm h GLU 71 CO -0.04 0.58 -0.08 -0.91 0.07 0.00 0.00 179.01 178.64 3gqm h ASN 72 N 0.11 0.92 -0.87 3.06 2.35 -1.73 -3.14 115.58 116.28 3gqm h ASN 72 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3gqm h ASN 72 Cb 0.88 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 3gqm h ASN 72 CO 0.07 1.02 0.55 0.22 -1.65 0.00 0.00 177.43 177.64 3gqm h TYR 73 N 0.84 1.13 -0.66 1.19 3.20 -0.10 -2.51 116.97 120.06 3gqm h TYR 73 Ca 0.14 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3gqm h TYR 73 Cb 0.60 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3gqm h TYR 73 CO 0.04 0.74 0.33 0.87 -1.64 0.00 0.00 178.16 178.50 3gqm h LYS 74 N 1.20 0.94 -0.68 1.82 1.57 -1.41 -2.66 116.57 117.34 3gqm h LYS 74 Ca 0.32 -0.13 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3gqm h LYS 74 Cb -0.09 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.00 3gqm h LYS 74 CO -0.06 0.73 0.39 0.93 -0.57 0.00 0.00 179.45 180.86 3gqm h GLU 75 N 0.90 0.69 -0.02 3.15 5.08 -1.41 0.15 114.58 123.13 3gqm h GLU 75 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gqm h GLU 75 Cb 0.09 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gqm h GLU 75 CO -0.03 0.46 -0.05 1.28 -1.00 0.00 0.00 179.01 179.67 3gqm n LEU 76 N -4.77 2.13 -0.55 1.33 4.77 -1.07 -4.23 117.00 114.61 3gqm n LEU 76 Ca 0.09 -0.71 0.03 0.00 -0.03 0.00 0.00 56.01 55.39 3gqm n LEU 76 Cb 0.17 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3gqm n LEU 76 CO 0.29 0.36 0.30 0.35 -1.33 0.00 0.00 177.39 177.36 3gqm n THR 77 N 0.59 0.53 0.00 -5.08 -2.24 -1.02 -5.02 114.28 102.05 3gqm n THR 77 Ca 0.16 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3gqm n THR 77 Cb 0.46 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3gqm n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqm n GLY 78 N -0.31 2.03 0.00 3.38 0.00 -0.99 -4.27 105.19 105.03 3gqm n GLY 78 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gqm n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqm n GLY 79 N -1.75 1.26 3.71 -0.02 0.00 0.49 -4.99 105.19 103.89 3gqm n GLY 79 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gqm n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqm s ALA 80 N -2.00 3.25 -0.43 4.61 0.00 -1.26 -4.91 121.76 121.02 3gqm s ALA 80 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 3gqm s ALA 80 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3gqm s ALA 80 CO 0.00 -0.27 1.37 0.34 0.00 0.00 0.00 175.76 177.21 3gqm s ASP 81 N 0.98 6.36 0.16 0.00 -1.08 -1.26 -4.59 116.67 117.24 3gqm s ASP 81 Ca 0.47 0.74 0.16 0.00 -0.52 0.00 0.00 52.55 53.40 3gqm s ASP 81 Cb -0.20 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.48 3gqm s ASP 81 CO 0.23 -1.43 1.50 -0.81 0.52 0.00 0.00 175.17 175.19 3gqm n PRO 82 N 8.08 0.10 0.00 4.34 -0.04 -1.26 -1.66 135.00 144.56 3gqm n PRO 82 Ca 0.16 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 3gqm n PRO 82 Cb 0.48 -1.74 0.40 0.00 -0.04 0.00 0.00 33.50 32.60 3gqm n PRO 82 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gqm n PHE 83 N -1.93 0.00 -1.66 0.54 3.72 -1.26 -4.95 117.46 111.92 3gqm n PHE 83 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.09 3gqm n PHE 83 Cb 0.12 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.55 3gqm n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gqm s ALA 84 N -2.59 2.44 0.40 4.37 0.00 -0.66 -4.99 121.76 120.73 3gqm s ALA 84 Ca 0.23 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 3gqm s ALA 84 Cb 0.19 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 3gqm s ALA 84 CO 0.54 -1.36 0.89 -0.51 0.00 0.00 0.00 175.76 175.32 3gqm s LEU 85 N -5.09 3.96 0.12 0.00 1.43 -1.26 -5.04 118.68 112.80 3gqm s LEU 85 Ca 0.65 1.55 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 3gqm s LEU 85 Cb -0.19 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 41.59 3gqm s LEU 85 CO 0.45 -0.33 -0.08 0.00 0.23 0.00 0.00 176.35 176.62 3gqm s MET 86 N -3.19 2.20 -0.20 1.70 0.23 -1.26 -5.09 119.30 113.69 3gqm s MET 86 Ca 0.59 -1.04 -0.04 0.00 -1.03 0.00 0.00 55.69 54.17 3gqm s MET 86 Cb -0.09 -2.32 -0.02 0.00 -1.53 0.00 0.00 34.83 30.87 3gqm s MET 86 CO 0.16 0.50 -0.03 -0.08 -2.03 0.00 0.00 175.02 173.54 3gqm s THR 87 N -1.35 3.68 0.29 3.16 -1.32 -1.26 -5.04 115.64 113.80 3gqm s THR 87 Ca 0.23 -0.41 -0.28 0.00 -1.21 0.00 0.00 61.69 60.03 3gqm s THR 87 Cb -0.11 -2.65 -0.09 0.00 -1.51 0.00 0.00 72.50 68.13 3gqm s THR 87 CO 0.15 0.44 0.96 -2.16 -2.21 0.00 0.00 174.62 171.79 3gqm s PRO 88 N 1.07 4.67 1.09 7.08 0.04 -1.26 -5.06 135.00 142.63 3gqm s PRO 88 Ca 0.01 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 3gqm s PRO 88 Cb -0.15 -2.99 0.24 0.00 0.04 0.00 0.00 34.50 31.64 3gqm s PRO 88 CO 0.01 0.34 1.06 0.14 0.04 0.00 0.00 177.00 178.59 3gqm s VAL 89 N -1.43 2.09 0.17 -0.36 -7.23 -1.26 -4.65 120.40 107.74 3gqm s VAL 89 Ca 0.47 0.03 -0.14 0.00 -1.81 0.00 0.00 61.98 60.53 3gqm s VAL 89 Cb -0.22 -2.14 0.06 0.00 0.56 0.00 0.00 36.38 34.64 3gqm s VAL 89 CO 0.28 -0.04 1.80 0.00 -0.31 0.00 0.00 175.10 176.83 3gqm h GLY 91 N 0.53 1.17 1.27 0.00 0.00 -1.90 -1.23 103.07 102.92 3gqm h GLY 91 Ca 0.21 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 3gqm h GLY 91 CO -0.12 0.63 -0.57 -2.00 0.00 0.00 0.00 176.54 174.48 3gqm h LEU 92 N 1.04 0.85 -0.19 3.11 5.85 -1.84 0.37 115.31 124.51 3gqm h LEU 92 Ca 0.23 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 3gqm h LEU 92 Cb 0.26 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3gqm h LEU 92 CO -0.01 1.24 -0.11 0.77 -0.34 0.00 0.00 178.44 179.98 3gqm h SER 93 N 0.58 0.43 -0.26 1.25 4.64 -1.10 -2.72 113.55 116.38 3gqm h SER 93 Ca 0.01 -0.43 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 3gqm h SER 93 Cb 1.15 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3gqm h SER 93 CO 0.12 0.76 -0.00 0.00 -0.87 0.00 0.00 176.83 176.84 3gqm h ALA 94 N 0.68 0.35 -0.31 5.18 0.00 -1.21 -1.01 119.26 122.94 3gqm h ALA 94 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3gqm h ALA 94 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3gqm h ALA 94 CO 0.03 0.09 0.19 -0.91 0.00 0.00 0.00 179.25 178.65 3gqm h ASN 95 N 0.24 0.32 -0.18 0.00 2.35 -1.00 -1.17 115.58 116.14 3gqm h ASN 95 Ca 0.07 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 3gqm h ASN 95 Cb 0.42 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3gqm h ASN 95 CO 0.01 0.23 -0.47 0.78 -1.65 0.00 0.00 177.43 176.33 3gqm h ASN 96 N 0.39 0.72 -0.20 5.81 2.35 -1.45 -2.31 115.58 120.90 3gqm h ASN 96 Ca 0.12 -0.58 -0.07 0.00 -0.55 0.00 0.00 56.30 55.22 3gqm h ASN 96 Cb -0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3gqm h ASN 96 CO -0.05 1.17 -0.10 0.40 -1.65 0.00 0.00 177.43 177.20 3gqm h ILE 97 N 0.31 1.23 -0.04 2.81 2.04 -1.22 0.12 117.51 122.76 3gqm h ILE 97 Ca -0.01 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 64.85 3gqm h ILE 97 Cb 1.09 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3gqm h ILE 97 CO 0.10 0.34 -0.12 0.15 0.00 0.00 0.00 178.15 178.62 3gqm h PHE 98 N 0.52 -0.32 -0.21 1.37 3.57 -1.18 -0.23 116.94 120.47 3gqm h PHE 98 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3gqm h PHE 98 Cb 0.49 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3gqm h PHE 98 CO 0.02 -0.19 0.09 0.87 -2.23 0.00 0.00 178.31 176.87 3gqm h LYS 99 N -0.19 0.19 -0.88 1.11 1.57 -1.12 -2.11 116.57 115.14 3gqm h LYS 99 Ca 0.06 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.99 3gqm h LYS 99 Cb 0.27 -0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 3gqm h LYS 99 CO -0.15 0.13 0.46 1.25 -0.57 0.00 0.00 179.45 180.57 3gqm h LEU 100 N 0.19 0.55 -0.15 2.94 5.85 -0.53 -1.30 115.31 122.86 3gqm h LEU 100 Ca 0.09 0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.68 3gqm h LEU 100 Cb 0.04 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.09 3gqm h LEU 100 CO -0.07 0.21 -0.84 0.24 -0.34 0.00 0.00 178.44 177.64 3gqm h MET 101 N 0.63 0.72 0.00 1.25 2.86 -0.81 -3.39 114.93 116.19 3gqm h MET 101 Ca 0.49 -0.63 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 3gqm h MET 101 Cb 0.74 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3gqm h MET 101 CO -0.38 1.24 -1.89 0.25 1.06 0.00 0.00 176.91 177.18 3gqm n THR 102 N -3.90 0.20 -3.00 2.22 -2.24 -0.81 -4.14 114.28 102.60 3gqm n THR 102 Ca -0.08 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 3gqm n THR 102 Cb 0.78 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3gqm n THR 102 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gqm s GLU 103 N -3.42 4.15 0.00 -0.78 2.02 -0.52 -4.83 118.70 115.31 3gqm s GLU 103 Ca -0.07 0.89 0.00 0.00 0.02 0.00 0.00 54.97 55.81 3gqm s GLU 103 Cb 0.13 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3gqm s GLU 103 CO 0.89 0.12 0.00 1.17 0.02 0.00 0.00 175.26 177.46 3gqm n LYS 104 N -0.29 0.00 0.00 1.61 0.00 -1.26 -4.80 118.16 113.42 3gqm n LYS 104 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 3gqm n LYS 104 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 3gqm n LYS 104 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3gqm n ASP 105 N -0.55 0.25 -4.36 3.14 5.68 -1.26 -4.98 116.55 114.47 3gqm n ASP 105 Ca 0.00 -0.58 -0.36 0.00 -0.50 0.00 0.00 54.79 53.34 3gqm n ASP 105 Cb 0.00 0.48 -0.13 0.00 -1.14 0.00 0.00 41.12 40.33 3gqm n ASP 105 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3gqm s VAL 106 N -0.48 3.89 0.45 2.12 1.01 -1.26 -5.04 120.40 121.09 3gqm s VAL 106 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 3gqm s VAL 106 Cb 0.00 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 3gqm s VAL 106 CO 0.00 0.24 1.33 -2.65 0.00 0.00 0.00 175.10 174.02 3gqm n PRO 107 N 4.86 2.01 -4.74 2.72 -0.02 -1.26 -4.85 135.00 133.71 3gqm n PRO 107 Ca -0.16 0.72 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 3gqm n PRO 107 Cb 0.50 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 3gqm n PRO 107 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gqm s ILE 108 N -1.21 1.34 -0.44 4.25 1.01 -1.26 -5.01 121.20 119.88 3gqm s ILE 108 Ca 0.62 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 3gqm s ILE 108 Cb -0.48 -1.19 0.11 0.00 0.01 0.00 0.00 42.46 40.91 3gqm s ILE 108 CO 0.57 0.40 0.27 -0.62 0.00 0.00 0.00 174.94 175.56 3gqm s ASP 109 N 0.44 5.51 0.48 3.58 -1.08 -1.22 -4.75 116.67 119.63 3gqm s ASP 109 Ca -0.12 -1.87 0.32 0.00 -0.52 0.00 0.00 52.55 50.36 3gqm s ASP 109 Cb -0.15 -1.94 1.59 0.00 -1.46 0.00 0.00 42.92 40.96 3gqm s ASP 109 CO 0.04 -0.61 1.98 1.55 0.52 0.00 0.00 175.17 178.65 3gqm h PRO 110 N 8.29 0.00 0.00 4.34 0.13 -1.88 -1.67 132.00 141.21 3gqm h PRO 110 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3gqm h PRO 110 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3gqm h PRO 110 CO 0.78 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.80 3gqm n THR 111 N -2.72 0.69 0.27 1.56 -2.24 -1.26 -3.92 114.28 106.66 3gqm n THR 111 Ca -0.01 -0.09 0.03 0.00 -2.27 0.00 0.00 64.05 61.72 3gqm n THR 111 Cb 0.15 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 67.52 3gqm n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gqm n SER 112 N -2.27 0.93 -4.49 3.42 3.41 -0.65 -5.03 113.62 108.94 3gqm n SER 112 Ca 0.04 -0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 57.81 3gqm n SER 112 Cb 0.35 1.07 0.20 0.00 -0.26 0.00 0.00 64.21 65.57 3gqm n SER 112 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3gqm n ILE 113 N -1.28 0.00 -2.67 -1.33 -5.35 -1.07 -4.94 119.36 102.71 3gqm n ILE 113 Ca 0.01 -0.25 -0.43 0.00 -0.27 0.00 0.00 62.75 61.81 3gqm n ILE 113 Cb 0.13 -0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 37.13 3gqm n ILE 113 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3gqm s GLU 114 N -4.20 4.37 0.05 6.28 2.56 -1.26 -5.05 118.70 121.45 3gqm s GLU 114 Ca 0.64 1.39 -0.03 0.00 0.00 0.00 0.00 54.97 56.97 3gqm s GLU 114 Cb -0.22 -3.57 -0.05 0.00 2.00 0.00 0.00 34.13 32.29 3gqm s GLU 114 CO 0.64 -0.41 0.25 0.71 -0.56 0.00 0.00 175.26 175.89 3gqm s TYR 115 N 2.38 3.53 -0.19 5.30 1.51 -1.26 -4.63 117.35 123.99 3gqm s TYR 115 Ca 0.47 0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 56.85 3gqm s TYR 115 Cb -0.17 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.74 3gqm s TYR 115 CO 0.14 0.57 0.15 -0.51 -1.11 0.00 0.00 175.55 174.80 3gqm s LEU 116 N -2.24 4.24 -0.02 -1.29 1.02 0.79 -4.86 118.68 116.32 3gqm s LEU 116 Ca 0.33 0.29 0.12 0.00 0.02 0.00 0.00 54.13 54.88 3gqm s LEU 116 Cb -0.13 -2.12 -0.18 0.00 0.02 0.00 0.00 46.19 43.79 3gqm s LEU 116 CO 0.22 0.20 0.24 -0.62 0.02 0.00 0.00 176.35 176.41 3gqm n GLU 117 N 3.33 0.50 -0.94 1.70 1.02 -1.26 -1.88 120.64 123.11 3gqm n GLU 117 Ca -0.16 -0.10 0.05 0.00 -0.02 0.00 0.00 57.16 56.93 3gqm n GLU 117 Cb 0.52 -1.28 0.14 0.00 -0.02 0.00 0.00 31.44 30.81 3gqm n GLU 117 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gqm n ASN 118 N -1.94 1.53 -4.48 1.62 5.03 -1.26 -4.79 115.26 110.96 3gqm n ASN 118 Ca -0.03 -3.26 -0.33 0.00 0.87 0.00 0.00 54.58 51.83 3gqm n ASN 118 Cb 0.35 -0.45 -0.13 0.00 -1.02 0.00 0.00 39.78 38.53 3gqm n ASN 118 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3gqm s THR 119 N -2.19 3.25 0.51 3.41 2.01 -1.26 -5.11 115.64 116.26 3gqm s THR 119 Ca 0.37 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 3gqm s THR 119 Cb 0.38 -2.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.50 3gqm s THR 119 CO -0.10 0.58 1.09 -0.94 -0.69 0.00 0.00 174.62 174.56 3gqm s SER 120 N -0.48 6.01 0.20 3.53 1.04 -1.26 -4.96 113.70 117.77 3gqm s SER 120 Ca 0.06 2.08 -0.10 0.00 0.48 0.00 0.00 55.95 58.47 3gqm s SER 120 Cb -0.12 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.57 3gqm s SER 120 CO 0.02 -1.02 1.84 0.15 0.98 0.00 0.00 173.24 175.22 3gqm h PHE 121 N 1.40 0.96 -0.94 5.02 3.57 -1.85 -1.91 116.94 123.19 3gqm h PHE 121 Ca -0.50 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.01 3gqm h PHE 121 Cb 1.24 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.62 3gqm h PHE 121 CO 0.54 0.64 0.62 0.00 -2.23 0.00 0.00 178.31 177.88 3gqm h ALA 122 N 1.23 1.19 0.16 2.41 0.00 -1.91 -0.07 119.26 122.28 3gqm h ALA 122 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3gqm h ALA 122 Cb -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.37 3gqm h ALA 122 CO -0.05 0.60 -0.08 1.49 0.00 0.00 0.00 179.25 181.21 3gqm h GLU 123 N 1.28 -0.21 -0.01 0.00 4.81 -1.88 -1.80 114.58 116.77 3gqm h GLU 123 Ca 0.34 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3gqm h GLU 123 Cb -0.14 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3gqm h GLU 123 CO -0.07 -0.11 0.01 1.25 -0.73 0.00 0.00 179.01 179.35 3gqm h HIS 124 N -0.26 0.01 -0.86 0.92 2.76 -0.99 -2.84 115.15 113.89 3gqm h HIS 124 Ca -0.02 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3gqm h HIS 124 Cb 0.20 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.10 3gqm h HIS 124 CO -0.06 0.07 0.56 0.28 -1.30 0.00 0.00 177.93 177.49 3gqm h VAL 125 N -0.05 1.09 0.00 5.26 2.07 -0.94 -0.19 116.25 123.51 3gqm h VAL 125 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3gqm h VAL 125 Cb 0.06 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3gqm h VAL 125 CO -0.00 0.19 0.00 0.59 0.02 0.00 0.00 177.57 178.36 3gqm n ASN 126 N -4.47 0.27 -0.11 0.57 3.02 -0.68 -1.37 115.26 112.48 3gqm n ASN 126 Ca 0.12 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.38 3gqm n ASN 126 Cb 0.16 -0.64 0.09 0.00 -0.61 0.00 0.00 39.78 38.78 3gqm n ASN 126 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gqm n THR 127 N -1.83 0.00 -2.71 3.41 -2.24 -0.08 -4.99 114.28 105.84 3gqm n THR 127 Ca 0.01 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 3gqm n THR 127 Cb 0.08 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 3gqm n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gqm s LEU 128 N -2.85 4.47 0.06 3.22 1.43 -0.47 -4.97 118.68 119.56 3gqm s LEU 128 Ca 0.13 1.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 3gqm s LEU 128 Cb 0.17 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 3gqm s LEU 128 CO 0.72 -0.02 1.80 -0.62 0.23 0.00 0.00 176.35 178.46 3gqm s ASP 129 N -1.35 6.51 0.58 2.29 -1.08 -1.26 -4.86 116.67 117.50 3gqm s ASP 129 Ca 0.46 2.59 0.28 0.00 -0.52 0.00 0.00 52.55 55.37 3gqm s ASP 129 Cb -0.23 -2.55 1.58 0.00 -1.46 0.00 0.00 42.92 40.25 3gqm s ASP 129 CO 0.29 -0.98 2.04 0.28 0.52 0.00 0.00 175.17 177.33 3gqm h SER 130 N 9.22 0.00 -0.14 -0.34 0.02 -1.96 -2.22 113.55 118.13 3gqm h SER 130 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3gqm h SER 130 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3gqm h SER 130 CO 0.94 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 178.04 3gqm n HIS 131 N -3.85 0.15 -4.02 3.45 8.25 -1.26 -4.77 115.22 113.16 3gqm n HIS 131 Ca 0.04 -0.08 -0.31 0.00 -0.26 0.00 0.00 57.72 57.12 3gqm n HIS 131 Cb 0.43 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 3gqm n HIS 131 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3gqm s LYS 132 N -1.85 2.99 0.21 -0.41 1.02 -0.84 -4.87 119.74 116.00 3gqm s LYS 132 Ca 0.32 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.41 3gqm s LYS 132 Cb 0.21 -2.79 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 3gqm s LYS 132 CO 0.31 0.58 0.83 -0.80 -0.92 0.00 0.00 175.35 175.35 3gqm s ASN 133 N -2.40 7.43 0.05 2.83 0.01 -1.26 -3.94 114.94 117.68 3gqm s ASN 133 Ca 0.30 1.73 0.03 0.00 -0.71 0.00 0.00 52.86 54.21 3gqm s ASN 133 Cb -0.12 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 3gqm s ASN 133 CO 0.23 0.16 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.58 3gqm s TYR 134 N -1.23 0.79 -0.03 2.20 2.02 -0.76 -1.30 117.35 119.05 3gqm s TYR 134 Ca 0.39 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 3gqm s TYR 134 Cb -0.23 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.85 3gqm s TYR 134 CO 0.27 -0.06 -0.23 0.54 -1.57 0.00 0.00 175.55 174.50 3gqm s VAL 135 N -1.51 1.83 -0.14 0.71 0.11 -0.70 0.05 120.40 120.74 3gqm s VAL 135 Ca -0.07 -0.98 -0.00 0.00 -2.93 0.00 0.00 61.98 58.01 3gqm s VAL 135 Cb -0.09 -1.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.23 3gqm s VAL 135 CO 0.00 0.52 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.46 3gqm s VAL 136 N -0.42 2.91 -0.18 2.04 1.01 0.38 -1.47 120.40 124.67 3gqm s VAL 136 Ca 0.05 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3gqm s VAL 136 Cb -0.10 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3gqm s VAL 136 CO 0.00 0.52 0.09 -0.51 0.00 0.00 0.00 175.10 175.20 3gqm s ILE 137 N 0.56 5.04 -0.12 2.22 2.07 0.59 -0.76 121.20 130.80 3gqm s ILE 137 Ca -0.09 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.23 3gqm s ILE 137 Cb -0.16 -3.28 -0.00 0.00 0.13 0.00 0.00 42.46 39.15 3gqm s ILE 137 CO 0.04 0.47 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.66 3gqm s VAL 138 N 0.26 2.52 -0.53 4.00 1.01 0.14 -1.47 120.40 126.34 3gqm s VAL 138 Ca 0.06 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3gqm s VAL 138 Cb -0.12 -2.02 0.14 0.00 0.00 0.00 0.00 36.38 34.38 3gqm s VAL 138 CO -0.00 0.54 0.35 0.21 0.00 0.00 0.00 175.10 176.20 3gqm s ASN 139 N 0.46 5.40 -0.65 3.32 3.84 -0.12 -1.68 114.94 125.52 3gqm s ASN 139 Ca -0.13 -2.38 -0.16 0.00 0.21 0.00 0.00 52.86 50.40 3gqm s ASN 139 Cb -0.17 -1.89 0.14 0.00 -0.55 0.00 0.00 41.25 38.79 3gqm s ASN 139 CO 0.05 -0.50 0.65 -0.62 -2.79 0.00 0.00 177.10 173.90 3gqm s ASP 140 N 1.54 6.35 0.60 -4.21 -1.08 0.12 -1.76 116.67 118.23 3gqm s ASP 140 Ca 0.12 -1.93 0.40 0.00 -0.52 0.00 0.00 52.55 50.62 3gqm s ASP 140 Cb -0.22 -2.24 2.05 0.00 -1.46 0.00 0.00 42.92 41.05 3gqm s ASP 140 CO -0.03 -0.87 2.21 1.23 0.52 0.00 0.00 175.17 178.23 3gqm h GLY 141 N 8.99 0.00 0.87 2.66 0.00 0.57 0.61 103.07 116.77 3gqm h GLY 141 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 3gqm h GLY 141 CO 0.99 0.00 -0.80 3.21 0.00 0.00 0.00 176.54 179.94 3gqm h ARG 142 N 0.00 0.44 0.00 4.80 -0.00 -1.71 -3.18 114.38 114.72 3gqm h ARG 142 Ca 0.00 -0.55 -0.09 0.00 -0.50 0.00 0.00 59.98 58.83 3gqm h ARG 142 Cb 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.26 3gqm h ARG 142 CO 0.00 1.21 -0.72 -0.07 0.00 0.00 0.00 179.97 180.39 3gqm h LEU 143 N -0.07 0.00 -1.26 3.04 4.07 -1.80 0.51 115.31 119.80 3gqm h LEU 143 Ca -0.12 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.58 3gqm h LEU 143 Cb 1.53 0.00 0.11 0.00 1.08 0.00 0.00 40.66 43.38 3gqm h LEU 143 CO 0.16 0.39 -0.52 0.61 -1.08 0.00 0.00 178.44 178.00 3gqm n GLY 144 N 1.25 -0.13 2.97 0.83 0.00 0.19 -4.65 105.19 105.65 3gqm n GLY 144 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3gqm n GLY 144 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gqm s HIS 145 N -3.24 0.13 -0.05 1.61 5.04 0.03 -4.99 115.29 113.82 3gqm s HIS 145 Ca 0.24 -0.26 0.05 0.00 -1.54 0.00 0.00 55.06 53.56 3gqm s HIS 145 Cb -0.11 -0.10 -0.01 0.00 0.04 0.00 0.00 32.58 32.41 3gqm s HIS 145 CO 0.52 -0.14 -0.22 0.21 -2.34 0.00 0.00 174.74 172.77 3gqm s LYS 146 N -0.93 2.23 0.26 2.88 2.20 -1.26 0.16 119.74 125.29 3gqm s LYS 146 Ca -0.10 -0.79 -0.22 0.00 -0.36 0.00 0.00 55.97 54.50 3gqm s LYS 146 Cb -0.06 -1.92 0.03 0.00 -1.51 0.00 0.00 37.83 34.37 3gqm s LYS 146 CO -0.00 0.34 0.75 -0.59 -0.36 0.00 0.00 175.35 175.49 3gqm s PHE 147 N -0.11 -0.18 0.04 4.03 -0.12 -0.67 -4.54 117.98 116.42 3gqm s PHE 147 Ca -0.03 -0.25 0.07 0.00 -0.05 0.00 0.00 56.93 56.66 3gqm s PHE 147 Cb -0.13 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 3gqm s PHE 147 CO 0.03 -1.18 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.35 3gqm s LEU 148 N -2.92 2.71 -0.24 -1.99 1.43 -0.02 -0.68 118.68 116.96 3gqm s LEU 148 Ca 0.11 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3gqm s LEU 148 Cb -0.05 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3gqm s LEU 148 CO 0.06 0.25 -0.01 -0.63 0.23 0.00 0.00 176.35 176.25 3gqm s ILE 149 N -0.96 3.47 -0.19 -0.59 1.01 0.06 -1.54 121.20 122.47 3gqm s ILE 149 Ca 0.15 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 3gqm s ILE 149 Cb -0.11 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3gqm s ILE 149 CO 0.06 0.30 0.48 -0.62 0.00 0.00 0.00 174.94 175.16 3gqm s ASP 150 N 1.46 6.55 -0.66 3.58 -1.08 0.59 -0.47 116.67 126.64 3gqm s ASP 150 Ca 0.04 0.66 0.06 0.00 -0.52 0.00 0.00 52.55 52.79 3gqm s ASP 150 Cb -0.15 -2.28 0.23 0.00 -1.46 0.00 0.00 42.92 39.26 3gqm s ASP 150 CO -0.02 -0.12 0.69 0.18 0.52 0.00 0.00 175.17 176.42 3gqm n LEU 151 N 4.50 3.61 -4.78 -1.34 4.77 0.11 -1.47 117.00 122.39 3gqm n LEU 151 Ca -0.06 -5.38 -0.34 0.00 -0.03 0.00 0.00 56.01 50.19 3gqm n LEU 151 Cb 0.51 -0.70 -0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3gqm n LEU 151 CO 0.42 1.97 0.75 -2.16 -1.33 0.00 0.00 177.39 177.04 3gqm s PRO 152 N -2.22 3.44 -0.03 3.23 0.04 -1.26 -1.82 135.00 136.38 3gqm s PRO 152 Ca 0.36 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3gqm s PRO 152 Cb 0.10 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3gqm s PRO 152 CO -0.05 -0.75 1.08 0.00 0.04 0.00 0.00 177.00 177.31 3gqm s ALA 153 N -1.97 3.35 -0.21 8.56 0.00 -1.25 -4.55 121.76 125.68 3gqm s ALA 153 Ca 0.69 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 3gqm s ALA 153 Cb -0.20 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3gqm s ALA 153 CO 0.27 -0.50 -0.09 -0.51 0.00 0.00 0.00 175.76 174.93 3gqm s LEU 154 N 1.60 2.70 0.12 0.00 1.02 -1.26 -4.97 118.68 117.89 3gqm s LEU 154 Ca 0.53 -0.52 -0.33 0.00 0.02 0.00 0.00 54.13 53.83 3gqm s LEU 154 Cb -0.22 -1.66 -0.12 0.00 0.02 0.00 0.00 46.19 44.21 3gqm s LEU 154 CO 0.24 -0.03 1.73 0.41 0.02 0.00 0.00 176.35 178.72 3gqm n THR 155 N 4.73 0.21 -1.64 5.49 -1.04 -1.26 -1.53 114.28 119.25 3gqm n THR 155 Ca -0.19 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 61.74 3gqm n THR 155 Cb 0.50 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 3gqm n THR 155 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gqm n GLN 156 N 4.71 -1.69 -4.16 -2.82 6.02 -1.26 -4.91 117.38 113.27 3gqm n GLN 156 Ca 0.18 0.27 -0.24 0.00 -0.01 0.00 0.00 57.00 57.20 3gqm n GLN 156 Cb 0.32 -4.53 -0.07 0.00 1.02 0.00 0.00 30.24 26.98 3gqm n GLN 156 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3gqm s GLY 157 N -1.64 2.15 0.66 1.08 0.00 -0.58 -5.14 107.32 103.86 3gqm s GLY 157 Ca 0.00 -1.98 -0.13 0.00 0.00 0.00 0.00 44.72 42.61 3gqm s GLY 157 CO 0.00 -1.86 1.07 2.56 0.00 0.00 0.00 173.10 174.87 3gqm s PRO 158 N -3.84 2.98 0.04 2.90 0.04 -1.26 -4.75 135.00 131.11 3gqm s PRO 158 Ca 0.39 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 3gqm s PRO 158 Cb 0.01 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3gqm s PRO 158 CO 0.22 -1.07 1.79 0.50 0.04 0.00 0.00 177.00 178.48 3gqm s ARG 159 N -4.59 4.16 0.07 4.56 6.06 -1.26 -4.66 118.95 123.29 3gqm s ARG 159 Ca 0.61 2.44 0.07 0.00 -2.50 0.00 0.00 55.73 56.36 3gqm s ARG 159 Cb -0.16 -3.85 -0.03 0.00 0.06 0.00 0.00 34.95 30.97 3gqm s ARG 159 CO 0.47 -0.85 -0.19 0.99 -2.50 0.00 0.00 175.30 173.22 3gqm s THR 160 N 3.52 1.54 -0.01 4.11 2.01 -1.26 -4.92 115.64 120.63 3gqm s THR 160 Ca 0.80 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3gqm s THR 160 Cb -0.41 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 3gqm s THR 160 CO 0.35 0.03 -0.11 0.00 -0.69 0.00 0.00 174.62 174.20 3gqm s ALA 161 N -0.99 0.95 0.11 7.40 0.00 -1.26 -4.10 121.76 123.87 3gqm s ALA 161 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.59 3gqm s ALA 161 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3gqm s ALA 161 CO 0.03 0.23 -0.17 0.71 0.00 0.00 0.00 175.76 176.56 3gqm s TYR 162 N -0.25 1.56 -0.14 0.00 2.02 -0.54 0.03 117.35 120.03 3gqm s TYR 162 Ca 0.04 -0.47 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 3gqm s TYR 162 Cb -0.05 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 3gqm s TYR 162 CO -0.00 0.18 0.17 0.42 -1.57 0.00 0.00 175.55 174.74 3gqm s ILE 163 N -1.60 5.43 -0.11 2.71 -1.09 -1.26 -0.30 121.20 124.98 3gqm s ILE 163 Ca 0.07 0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.79 3gqm s ILE 163 Cb -0.08 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 3gqm s ILE 163 CO 0.04 0.55 -0.17 -0.63 -1.23 0.00 0.00 174.94 173.49 3gqm s ILE 164 N -0.52 1.62 0.22 2.92 1.01 -0.59 -4.68 121.20 121.19 3gqm s ILE 164 Ca 0.14 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 3gqm s ILE 164 Cb -0.12 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.93 3gqm s ILE 164 CO 0.03 0.47 0.66 0.00 0.00 0.00 0.00 174.94 176.10 3gqm s GLN 165 N 0.81 1.55 0.23 2.79 -2.07 -1.26 -0.84 119.66 120.87 3gqm s GLN 165 Ca -0.10 -0.75 0.03 0.00 -1.82 0.00 0.00 55.36 52.72 3gqm s GLN 165 Cb -0.16 0.60 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 3gqm s GLN 165 CO 0.01 -0.70 0.03 -1.54 -1.32 0.00 0.00 175.29 171.77 3gqm s SER 166 N -2.84 1.57 -0.24 12.60 1.04 -1.26 -4.06 113.70 120.50 3gqm s SER 166 Ca 0.06 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.13 3gqm s SER 166 Cb -0.04 0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.24 3gqm s SER 166 CO -0.02 -0.59 0.55 -0.62 0.98 0.00 0.00 173.24 173.54 3gqm s ASP 167 N -3.29 -0.74 0.00 7.02 -1.08 0.11 -3.96 116.67 114.72 3gqm s ASP 167 Ca 0.31 1.28 0.26 0.00 -0.52 0.00 0.00 52.55 53.88 3gqm s ASP 167 Cb 0.07 1.53 1.25 0.00 -1.46 0.00 0.00 42.92 44.31 3gqm s ASP 167 CO 0.09 -0.22 1.88 0.18 0.52 0.00 0.00 175.17 177.62 3gqm n LEU 168 N 4.93 0.00 0.00 -1.34 4.32 -1.26 0.65 117.00 124.29 3gqm n LEU 168 Ca -0.15 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 3gqm n LEU 168 Cb 0.53 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 3gqm n LEU 168 CO -0.00 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 176.74 3gqm n GLY 169 N 1.06 -2.65 0.00 -0.72 0.00 -1.26 -4.58 105.19 97.03 3gqm n GLY 169 Ca 0.10 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3gqm n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqm n GLY 170 N -0.37 2.90 0.00 -0.02 0.00 -1.26 -4.92 105.19 101.53 3gqm n GLY 170 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gqm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqm n GLY 171 N -1.06 2.43 0.26 -0.02 0.00 -1.26 -4.98 105.19 100.56 3gqm n GLY 171 Ca 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.29 3gqm n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqm h ALA 172 N -0.67 1.60 -3.11 4.61 0.00 -1.80 -3.44 119.26 116.45 3gqm h ALA 172 Ca 0.00 -0.08 -0.65 0.00 0.00 0.00 0.00 54.91 54.18 3gqm h ALA 172 Cb 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 3gqm h ALA 172 CO 0.00 0.11 -0.58 -0.51 0.00 0.00 0.00 179.25 178.27 3gqm s LEU 173 N -8.11 3.89 0.82 0.00 1.43 -1.26 -0.16 118.68 115.30 3gqm s LEU 173 Ca -0.04 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3gqm s LEU 173 Cb 0.15 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 44.19 3gqm s LEU 173 CO 0.62 0.27 1.10 -2.16 0.23 0.00 0.00 176.35 176.42 3gqm s PRO 174 N -1.73 1.82 0.34 1.29 0.04 -1.26 -4.11 135.00 131.39 3gqm s PRO 174 Ca 0.23 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 3gqm s PRO 174 Cb -0.12 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 3gqm s PRO 174 CO 0.14 -1.96 1.46 0.00 0.04 0.00 0.00 177.00 176.68 3gqm s ALA 175 N -2.85 3.59 -0.10 8.56 0.00 -1.26 -4.55 121.76 125.15 3gqm s ALA 175 Ca 0.63 1.47 -0.05 0.00 0.00 0.00 0.00 51.96 54.01 3gqm s ALA 175 Cb -0.18 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.40 3gqm s ALA 175 CO 0.57 -0.91 0.24 0.54 0.00 0.00 0.00 175.76 176.19 3gqm s VAL 176 N -0.78 -0.04 0.40 0.00 0.11 0.21 -4.91 120.40 115.39 3gqm s VAL 176 Ca 0.55 0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 59.49 3gqm s VAL 176 Cb -0.45 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 33.94 3gqm s VAL 176 CO 0.56 0.06 1.04 -0.13 -3.33 0.00 0.00 175.10 173.29 3gqm s ARG 177 N 1.15 4.16 0.28 1.54 0.52 -1.26 0.07 118.95 125.41 3gqm s ARG 177 Ca -0.08 1.47 -0.01 0.00 -0.52 0.00 0.00 55.73 56.59 3gqm s ARG 177 Cb -0.10 -2.50 0.47 0.00 0.52 0.00 0.00 34.95 33.35 3gqm s ARG 177 CO -0.08 -0.14 1.89 -0.24 0.02 0.00 0.00 175.30 176.76 3gqm h VAL 178 N 2.14 1.07 -0.59 3.52 3.04 -1.86 -1.32 116.25 122.26 3gqm h VAL 178 Ca -0.48 -0.38 0.01 0.00 -1.01 0.00 0.00 66.70 64.84 3gqm h VAL 178 Cb 1.21 -0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 3gqm h VAL 178 CO 0.62 0.20 0.39 -0.33 -1.01 0.00 0.00 177.57 177.44 3gqm h GLU 179 N 1.10 0.77 -0.21 4.17 3.07 -1.93 0.13 114.58 121.68 3gqm h GLU 179 Ca 0.42 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.15 3gqm h GLU 179 Cb 0.20 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3gqm h GLU 179 CO -0.16 0.51 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.35 3gqm h ASP 180 N 0.79 0.52 -0.12 1.42 3.32 -1.88 -1.05 116.42 119.42 3gqm h ASP 180 Ca 0.21 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.85 3gqm h ASP 180 Cb -0.09 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3gqm h ASP 180 CO -0.05 0.86 -0.10 -0.25 -1.72 0.00 0.00 179.24 177.98 3gqm h TRP 181 N 0.18 -0.26 -0.60 4.55 2.91 -0.78 -0.32 115.95 121.63 3gqm h TRP 181 Ca 0.04 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 3gqm h TRP 181 Cb 0.69 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.45 3gqm h TRP 181 CO 0.07 -0.16 0.25 0.82 -1.03 0.00 0.00 178.44 178.40 3gqm h ILE 182 N -0.12 1.22 -0.61 2.65 2.04 -0.74 0.33 117.51 122.28 3gqm h ILE 182 Ca 0.08 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 3gqm h ILE 182 Cb 0.24 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3gqm h ILE 182 CO -0.19 0.27 0.11 -1.28 0.00 0.00 0.00 178.15 177.05 3gqm h SER 183 N 0.82 0.93 0.18 1.72 0.87 -0.70 -1.34 113.55 116.03 3gqm h SER 183 Ca 0.20 -0.20 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 3gqm h SER 183 Cb 0.18 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3gqm h SER 183 CO -0.02 0.92 -1.89 0.03 -0.53 0.00 0.00 176.83 175.34 3gqm h ARG 184 N 0.92 0.29 0.00 2.24 3.08 -0.93 -3.43 114.38 116.55 3gqm h ARG 184 Ca 0.19 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3gqm h ARG 184 Cb 0.39 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gqm h ARG 184 CO 0.01 1.20 0.00 0.54 -1.07 0.00 0.00 179.97 180.65 3gqm n ARG 185 N -3.49 0.54 0.28 0.04 1.74 0.11 -4.83 116.66 111.06 3gqm n ARG 185 Ca -0.28 -0.69 0.13 0.00 -0.77 0.00 0.00 57.85 56.24 3gqm n ARG 185 Cb 1.06 -0.81 0.82 0.00 -1.02 0.00 0.00 32.46 32.51 3gqm n ARG 185 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3gqm h GLY 186 N 0.00 0.00 -0.93 -0.13 0.00 -0.64 -1.82 103.07 99.54 3gqm h GLY 186 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3gqm h GLY 186 CO 0.00 0.00 -0.16 1.44 0.00 0.00 0.00 176.54 177.82 3gqm n SER 187 N -4.06 2.43 -4.47 0.19 7.64 -1.26 -4.75 113.62 109.34 3gqm n SER 187 Ca -0.03 -3.45 -0.43 0.00 1.01 0.00 0.00 58.87 55.97 3gqm n SER 187 Cb 0.09 -0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 62.71 3gqm n SER 187 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gqm s ASP 188 N -2.77 6.24 0.47 6.43 -1.08 -0.69 -5.04 116.67 120.24 3gqm s ASP 188 Ca 0.38 -0.75 -0.24 0.00 -0.52 0.00 0.00 52.55 51.42 3gqm s ASP 188 Cb 0.34 -2.29 -0.07 0.00 -1.46 0.00 0.00 42.92 39.44 3gqm s ASP 188 CO 0.00 -0.83 1.32 -2.84 0.52 0.00 0.00 175.17 173.35 3gqm s PRO 189 N 2.62 3.59 0.05 4.34 0.02 -1.26 -4.64 135.00 139.73 3gqm s PRO 189 Ca 0.16 2.16 0.05 0.00 0.02 0.00 0.00 61.00 63.40 3gqm s PRO 189 Cb -0.18 -2.50 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 3gqm s PRO 189 CO 0.14 -0.81 -0.06 0.08 -0.33 0.00 0.00 177.00 176.02 3gqm s VAL 190 N -1.32 3.64 -0.03 3.83 1.01 0.11 -4.99 120.40 122.64 3gqm s VAL 190 Ca 0.64 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3gqm s VAL 190 Cb -0.38 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 3gqm s VAL 190 CO 0.47 0.24 1.71 -0.55 0.00 0.00 0.00 175.10 176.97 3gqm s SER 191 N -1.87 6.63 0.48 3.32 0.15 -1.26 -4.13 113.70 117.02 3gqm s SER 191 Ca 0.20 2.32 0.13 0.00 0.70 0.00 0.00 55.95 59.31 3gqm s SER 191 Cb -0.11 -2.53 1.13 0.00 -1.71 0.00 0.00 66.02 62.80 3gqm s SER 191 CO 0.12 -0.94 2.11 -0.07 1.20 0.00 0.00 173.24 175.66 3gqm h LEU 192 N 10.18 0.14 0.54 3.45 3.38 -1.95 -0.44 115.31 130.61 3gqm h LEU 192 Ca -0.41 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3gqm h LEU 192 Cb 1.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3gqm h LEU 192 CO 0.95 0.11 -0.32 -0.78 0.09 0.00 0.00 178.44 178.50 3gqm h ASP 193 N 0.16 -0.78 -0.77 -0.43 1.82 -1.99 0.23 116.42 114.66 3gqm h ASP 193 Ca 0.04 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 3gqm h ASP 193 Cb 0.01 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.21 3gqm h ASP 193 CO -0.01 -0.50 0.37 -0.33 -1.61 0.00 0.00 179.24 177.16 3gqm h GLU 194 N -0.81 1.11 -0.72 0.28 5.08 -1.87 -2.52 114.58 115.13 3gqm h GLU 194 Ca -0.07 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3gqm h GLU 194 Cb 0.65 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3gqm h GLU 194 CO 0.08 0.86 0.44 -0.07 -1.00 0.00 0.00 179.01 179.32 3gqm h LEU 195 N 1.08 0.70 -1.01 1.33 3.38 -0.96 0.89 115.31 120.72 3gqm h LEU 195 Ca 0.26 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3gqm h LEU 195 Cb 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3gqm h LEU 195 CO -0.03 0.47 0.67 -1.13 0.09 0.00 0.00 178.44 178.51 3gqm h ASN 196 N 0.84 1.14 -0.14 -0.43 -1.24 -0.29 -0.45 115.58 115.00 3gqm h ASN 196 Ca 0.30 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.25 3gqm h ASN 196 Cb 0.08 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 3gqm h ASN 196 CO -0.14 0.81 -0.08 1.56 -1.29 0.00 0.00 177.43 178.29 3gqm h GLN 197 N 1.33 0.30 -0.66 6.67 4.20 -0.97 -2.94 115.11 123.05 3gqm h GLN 197 Ca 0.38 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 59.05 3gqm h GLN 197 Cb -0.10 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.60 3gqm h GLN 197 CO -0.10 0.64 0.29 1.25 -0.67 0.00 0.00 178.83 180.24 3gqm h LEU 198 N -0.05 0.34 -1.04 1.46 5.85 -0.65 -2.70 115.31 118.52 3gqm h LEU 198 Ca 0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3gqm h LEU 198 Cb 0.56 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3gqm h LEU 198 CO 0.02 0.19 0.00 0.18 -0.34 0.00 0.00 178.44 178.50 3gqm n LEU 199 N -4.93 1.52 -4.95 2.25 4.32 -0.20 -4.76 117.00 110.25 3gqm n LEU 199 Ca 0.10 -0.76 -0.23 0.00 -0.02 0.00 0.00 56.01 55.10 3gqm n LEU 199 Cb 0.28 -0.19 0.01 0.00 -1.62 0.00 0.00 43.42 41.89 3gqm n LEU 199 CO 0.23 0.38 0.26 -0.94 -1.22 0.00 0.00 177.39 176.10 3gqm s SER 200 N -0.99 5.87 0.22 -1.43 1.04 -1.02 -4.72 113.70 112.66 3gqm s SER 200 Ca 0.19 0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.80 3gqm s SER 200 Cb 0.10 -1.54 0.23 0.00 0.10 0.00 0.00 66.02 64.91 3gqm s SER 200 CO 0.13 -0.66 1.84 0.11 0.98 0.00 0.00 173.24 175.64 3gqm h LYS 201 N 0.44 0.85 0.00 4.02 1.57 -1.90 -2.64 116.57 118.91 3gqm h LYS 201 Ca -0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3gqm h LYS 201 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gqm h LYS 201 CO 0.57 0.56 0.00 -0.25 -0.57 0.00 0.00 179.45 179.76 3gqm n ASP 202 N -4.67 0.41 -0.34 0.86 8.00 -1.26 -2.96 116.55 116.60 3gqm n ASP 202 Ca 0.09 0.66 0.10 0.00 0.71 0.00 0.00 54.79 56.35 3gqm n ASP 202 Cb 0.12 -0.73 0.27 0.00 -0.02 0.00 0.00 41.12 40.76 3gqm n ASP 202 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3gqm h PHE 203 N 0.00 0.98 -0.20 1.24 3.57 -1.67 0.19 116.94 121.06 3gqm h PHE 203 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3gqm h PHE 203 Cb 0.09 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3gqm h PHE 203 CO 0.00 0.27 0.18 0.66 -2.23 0.00 0.00 178.31 177.19 3gqm h SER 204 N 0.77 0.00 -0.57 0.41 4.64 -1.77 -2.66 113.55 114.37 3gqm h SER 204 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3gqm h SER 204 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3gqm h SER 204 CO -0.35 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.90 3gqm n LYS 205 N -4.06 2.58 -2.78 4.77 5.02 0.67 -4.98 118.16 119.38 3gqm n LYS 205 Ca 0.02 -2.43 -0.32 0.00 -2.02 0.00 0.00 58.31 53.56 3gqm n LYS 205 Cb 0.31 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 3gqm n LYS 205 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3gqm s MET 206 N -1.25 4.02 0.90 1.97 -1.94 -1.01 -5.00 119.30 116.99 3gqm s MET 206 Ca 0.44 0.86 -0.12 0.00 -1.71 0.00 0.00 55.69 55.16 3gqm s MET 206 Cb 0.24 -2.26 0.10 0.00 2.01 0.00 0.00 34.83 34.92 3gqm s MET 206 CO 0.32 -0.05 0.96 -2.30 -0.01 0.00 0.00 175.02 173.94 3gqm n PRO 207 N -0.94 -0.26 -0.19 2.03 -0.02 -1.26 -4.67 135.00 129.68 3gqm n PRO 207 Ca 0.05 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3gqm n PRO 207 Cb 0.54 -2.24 0.10 0.00 -0.02 0.00 0.00 33.50 31.87 3gqm n PRO 207 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gqm h ASP 208 N -1.55 -0.14 0.20 2.55 3.32 -1.99 -0.59 116.42 118.22 3gqm h ASP 208 Ca -0.44 0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.59 3gqm h ASP 208 Cb 1.28 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.03 3gqm h ASP 208 CO 0.40 -0.05 -0.58 0.44 -1.72 0.00 0.00 179.24 177.73 3gqm h ASP 209 N 0.18 0.45 0.12 6.45 3.32 -1.98 0.49 116.42 125.45 3gqm h ASP 209 Ca 0.31 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3gqm h ASP 209 Cb 0.48 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gqm h ASP 209 CO -0.45 0.93 -0.06 0.58 -1.72 0.00 0.00 179.24 178.52 3gqm h VAL 210 N 0.30 1.01 0.19 -1.35 2.07 -1.80 -1.89 116.25 114.78 3gqm h VAL 210 Ca -0.00 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3gqm h VAL 210 Cb 1.11 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3gqm h VAL 210 CO 0.10 0.14 -0.15 1.56 0.02 0.00 0.00 177.57 179.23 3gqm h GLN 211 N -0.43 -0.34 -0.70 1.57 4.20 -0.93 0.18 115.11 118.65 3gqm h GLN 211 Ca -0.02 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.83 3gqm h GLN 211 Cb 0.35 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 3gqm h GLN 211 CO 0.03 -0.23 0.29 1.15 -0.67 0.00 0.00 178.83 179.40 3gqm h THR 212 N -0.36 0.75 -0.03 -0.54 2.02 -1.00 -1.26 112.91 112.49 3gqm h THR 212 Ca -0.01 -0.16 -0.22 0.00 0.77 0.00 0.00 66.41 66.79 3gqm h THR 212 Cb 0.32 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3gqm h THR 212 CO -0.01 0.09 -0.89 0.03 0.37 0.00 0.00 175.52 175.11 3gqm h ARG 213 N 0.48 0.49 -0.28 6.66 3.08 -1.00 -1.44 114.38 122.36 3gqm h ARG 213 Ca 0.36 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3gqm h ARG 213 Cb 0.47 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3gqm h ARG 213 CO -0.33 1.12 0.15 -0.07 -1.07 0.00 0.00 179.97 179.77 3gqm h LEU 214 N 0.30 0.36 -0.05 3.04 3.38 -0.77 -0.86 115.31 120.71 3gqm h LEU 214 Ca -0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gqm h LEU 214 Cb 1.51 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 3gqm h LEU 214 CO 0.16 0.35 0.03 -0.07 0.09 0.00 0.00 178.44 179.00 3gqm h LEU 215 N 0.34 0.06 -1.03 1.67 3.38 -1.22 -1.46 115.31 117.05 3gqm h LEU 215 Ca 0.10 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3gqm h LEU 215 Cb 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3gqm h LEU 215 CO -0.01 0.13 0.26 0.00 0.09 0.00 0.00 178.44 178.91 3gqm h ALA 216 N 0.93 1.23 -0.19 1.53 0.00 -1.24 0.16 119.26 121.68 3gqm h ALA 216 Ca 0.02 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 3gqm h ALA 216 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gqm h ALA 216 CO -0.00 0.56 -0.64 1.03 0.00 0.00 0.00 179.25 180.20 3gqm h SER 217 N 0.94 0.80 0.19 0.00 0.87 -0.86 -2.66 113.55 112.83 3gqm h SER 217 Ca 0.22 -0.47 -0.35 0.00 -1.23 0.00 0.00 61.79 59.96 3gqm h SER 217 Cb 0.18 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3gqm h SER 217 CO -0.02 1.24 -1.91 0.40 -0.53 0.00 0.00 176.83 176.01 3gqm h ILE 218 N 0.51 0.72 0.00 2.23 2.04 -1.20 -3.43 117.51 118.38 3gqm h ILE 218 Ca -0.01 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.42 3gqm h ILE 218 Cb 1.23 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.87 3gqm h ILE 218 CO 0.13 0.85 0.00 0.18 0.00 0.00 0.00 178.15 179.31 3gqm n LEU 219 N -3.45 0.46 -4.60 1.44 4.77 0.54 -4.92 117.00 111.23 3gqm n LEU 219 Ca -0.28 -0.67 -0.34 0.00 -0.03 0.00 0.00 56.01 54.68 3gqm n LEU 219 Cb 1.05 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 42.04 3gqm n LEU 219 CO 0.45 0.12 -0.34 -1.58 -1.33 0.00 0.00 177.39 174.70 3gqm s GLN 220 N -0.42 3.15 0.44 3.23 -0.44 -1.00 -4.98 119.66 119.64 3gqm s GLN 220 Ca 0.00 -0.48 0.16 0.00 -2.50 0.00 0.00 55.36 52.55 3gqm s GLN 220 Cb 0.00 -2.78 1.00 0.00 -1.64 0.00 0.00 33.01 29.58 3gqm s GLN 220 CO 0.00 0.54 1.95 0.97 0.50 0.00 0.00 175.29 179.26 3gqm h ILE 221 N 4.49 1.06 -0.48 -2.34 2.10 -1.95 0.42 117.51 120.81 3gqm h ILE 221 Ca -0.44 -0.81 0.00 0.00 1.08 0.00 0.00 64.86 64.69 3gqm h ILE 221 Cb 1.19 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 3gqm h ILE 221 CO 0.57 0.22 0.00 0.47 -1.08 0.00 0.00 178.15 178.33 3gqm n ASP 222 N -4.11 3.45 -3.61 2.19 8.00 -1.26 -4.87 116.55 116.34 3gqm n ASP 222 Ca -0.02 -2.10 -0.27 0.00 0.71 0.00 0.00 54.79 53.11 3gqm n ASP 222 Cb 0.29 -0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.05 3gqm n ASP 222 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gqm n LYS 223 N 0.85 -4.60 -3.27 -1.24 5.02 0.14 -4.93 118.16 110.12 3gqm n LYS 223 Ca 0.17 0.59 -0.45 0.00 -2.02 0.00 0.00 58.31 56.60 3gqm n LYS 223 Cb 0.55 -5.41 -0.05 0.00 -0.02 0.00 0.00 35.03 30.10 3gqm n LYS 223 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gqm s ASP 224 N -3.01 6.18 0.52 4.39 -1.08 -1.26 -4.67 116.67 117.75 3gqm s ASP 224 Ca 0.53 -1.59 0.35 0.00 -0.52 0.00 0.00 52.55 51.32 3gqm s ASP 224 Cb -0.27 -2.23 1.89 0.00 -1.46 0.00 0.00 42.92 40.85 3gqm s ASP 224 CO 0.65 -0.88 2.08 1.55 0.52 0.00 0.00 175.17 179.09 3gqm h PRO 225 N 8.94 0.00 0.00 4.34 0.13 -1.90 0.26 132.00 143.77 3gqm h PRO 225 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3gqm h PRO 225 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gqm h PRO 225 CO 1.02 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.51 3gqm n HIS 226 N -2.75 0.60 1.59 1.56 8.25 -1.26 -2.32 115.22 120.89 3gqm n HIS 226 Ca -0.02 0.20 0.14 0.00 -0.26 0.00 0.00 57.72 57.78 3gqm n HIS 226 Cb 0.07 -0.82 0.64 0.00 1.12 0.00 0.00 29.99 30.99 3gqm n HIS 226 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gqm n LYS 227 N -2.01 1.26 -4.16 -0.41 4.76 0.08 -4.91 118.16 112.77 3gqm n LYS 227 Ca 0.05 -0.56 -0.35 0.00 -2.87 0.00 0.00 58.31 54.58 3gqm n LYS 227 Cb 0.32 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.93 3gqm n LYS 227 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gqm s VAL 228 N -2.12 4.59 -0.56 -0.18 1.01 -0.98 -3.98 120.40 118.17 3gqm s VAL 228 Ca 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3gqm s VAL 228 Cb 0.21 -3.01 0.15 0.00 0.00 0.00 0.00 36.38 33.72 3gqm s VAL 228 CO 0.38 0.53 0.35 -0.62 0.00 0.00 0.00 175.10 175.74 3gqm s ASP 229 N -0.19 4.97 0.34 3.32 2.15 0.78 -4.96 116.67 123.08 3gqm s ASP 229 Ca 0.07 -2.79 0.25 0.00 0.43 0.00 0.00 52.55 50.51 3gqm s ASP 229 Cb -0.12 -1.78 1.18 0.00 -0.30 0.00 0.00 42.92 41.89 3gqm s ASP 229 CO 0.02 -0.35 1.77 0.16 -0.17 0.00 0.00 175.17 176.60 3gqm h ILE 230 N 5.50 0.00 0.00 4.11 -0.00 -1.95 -2.08 117.51 123.09 3gqm h ILE 230 Ca -0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.64 3gqm h ILE 230 Cb 0.95 0.87 0.00 0.00 -0.00 0.00 0.00 36.82 38.64 3gqm h ILE 230 CO 0.70 0.00 0.00 0.29 -0.00 0.00 0.00 178.15 179.14 3gqm n LYS 231 N -2.39 0.11 0.00 0.16 5.02 -1.26 -1.75 118.16 118.04 3gqm n LYS 231 Ca 0.00 0.50 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 3gqm n LYS 231 Cb 0.17 -1.78 0.37 0.00 -0.02 0.00 0.00 35.03 33.76 3gqm n LYS 231 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gqm n LYS 232 N -1.99 1.11 -2.03 1.97 4.76 -0.78 -4.94 118.16 116.26 3gqm n LYS 232 Ca 0.00 -0.70 -0.40 0.00 -2.87 0.00 0.00 58.31 54.35 3gqm n LYS 232 Cb 0.09 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.79 3gqm n LYS 232 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gqm s LEU 233 N -2.37 4.27 -0.72 -0.35 1.43 -0.72 -4.56 118.68 115.66 3gqm s LEU 233 Ca 0.27 2.71 -0.15 0.00 -1.03 0.00 0.00 54.13 55.94 3gqm s LEU 233 Cb 0.20 -3.83 0.19 0.00 0.03 0.00 0.00 46.19 42.78 3gqm s LEU 233 CO 0.48 -0.80 0.67 -1.00 0.23 0.00 0.00 176.35 175.93 3gqm s HIS 234 N -1.22 3.58 0.66 0.29 3.76 0.18 -4.91 115.29 117.63 3gqm s HIS 234 Ca 0.55 -1.74 0.43 0.00 -0.15 0.00 0.00 55.06 54.14 3gqm s HIS 234 Cb -0.40 -3.81 2.35 0.00 1.11 0.00 0.00 32.58 31.83 3gqm s HIS 234 CO 0.52 -1.00 2.35 -0.07 -0.85 0.00 0.00 174.74 175.69 3gqm h LEU 235 N 8.18 0.00 -1.24 0.89 3.38 -1.91 0.30 115.31 124.91 3gqm h LEU 235 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gqm h LEU 235 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3gqm h LEU 235 CO 0.86 0.00 -0.14 0.47 0.09 0.00 0.00 178.44 179.71 3gqm n ASP 236 N -3.18 2.07 -4.74 -0.43 10.43 -1.26 -4.81 116.55 114.63 3gqm n ASP 236 Ca -0.03 -1.58 -0.37 0.00 2.57 0.00 0.00 54.79 55.38 3gqm n ASP 236 Cb 0.08 0.12 0.06 0.00 1.84 0.00 0.00 41.12 43.22 3gqm n ASP 236 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3gqm s GLY 237 N -2.18 2.84 0.41 0.44 0.00 0.11 -5.00 107.32 103.94 3gqm s GLY 237 Ca 0.28 1.19 -0.04 0.00 0.00 0.00 0.00 44.72 46.15 3gqm s GLY 237 CO 0.40 1.63 0.69 0.54 0.00 0.00 0.00 173.10 176.36 3gqm s LYS 238 N -3.30 3.56 -0.18 2.90 3.01 -1.26 -4.34 119.74 120.13 3gqm s LYS 238 Ca 0.80 0.05 -0.00 0.00 -1.01 0.00 0.00 55.97 55.81 3gqm s LYS 238 Cb -0.37 -2.49 0.00 0.00 -1.01 0.00 0.00 37.83 33.96 3gqm s LYS 238 CO 0.39 -0.03 -0.14 -1.17 0.51 0.00 0.00 175.35 174.91 3gqm s LEU 239 N -4.36 2.45 0.11 3.17 2.96 -1.26 0.11 118.68 121.86 3gqm s LEU 239 Ca 0.45 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3gqm s LEU 239 Cb -0.10 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 3gqm s LEU 239 CO 0.39 0.03 -0.19 -0.13 -1.32 0.00 0.00 176.35 175.12 3gqm s ARG 240 N 1.16 1.10 0.05 1.98 0.52 -0.72 -4.60 118.95 118.43 3gqm s ARG 240 Ca 0.01 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 53.86 3gqm s ARG 240 Cb -0.14 -1.27 0.04 0.00 0.52 0.00 0.00 34.95 34.09 3gqm s ARG 240 CO -0.06 0.29 0.44 -0.59 0.02 0.00 0.00 175.30 175.41 3gqm s PHE 241 N -1.36 -0.31 0.01 -0.53 -0.71 -0.78 -0.95 117.98 113.34 3gqm s PHE 241 Ca 0.07 0.28 0.01 0.00 -1.04 0.00 0.00 56.93 56.25 3gqm s PHE 241 Cb -0.09 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 3gqm s PHE 241 CO 0.04 -0.60 -0.05 0.00 -1.34 0.00 0.00 175.22 173.27 3gqm s ALA 242 N -2.55 0.37 0.28 1.99 0.00 -0.54 -0.15 121.76 121.15 3gqm s ALA 242 Ca -0.05 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 51.66 3gqm s ALA 242 Cb -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3gqm s ALA 242 CO -0.03 0.03 -0.19 -1.54 0.00 0.00 0.00 175.76 174.04 3gqm s SER 243 N -0.62 3.48 -0.26 0.00 1.04 -1.26 -0.30 113.70 115.78 3gqm s SER 243 Ca -0.03 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.19 3gqm s SER 243 Cb -0.05 -0.28 0.08 0.00 0.10 0.00 0.00 66.02 65.87 3gqm s SER 243 CO -0.00 -0.00 0.66 -2.28 0.98 0.00 0.00 173.24 172.59 3gqm s HIS 244 N -2.57 -0.96 0.74 5.02 2.46 -0.54 -4.98 115.29 114.45 3gqm s HIS 244 Ca 0.29 1.99 -0.14 0.00 0.47 0.00 0.00 55.06 57.68 3gqm s HIS 244 Cb -0.04 0.54 0.05 0.00 -0.13 0.00 0.00 32.58 32.99 3gqm s HIS 244 CO 0.14 -0.48 1.16 -1.83 -2.47 0.00 0.00 174.74 171.26 3gqm s GLU 245 N 1.41 2.16 0.01 2.88 -1.05 -1.26 -1.72 118.70 121.13 3gqm s GLU 245 Ca -0.08 1.56 -0.05 0.00 -0.15 0.00 0.00 54.97 56.25 3gqm s GLU 245 Cb -0.05 -1.86 -0.01 0.00 -0.44 0.00 0.00 34.13 31.77 3gqm s GLU 245 CO -0.16 -1.78 0.07 1.52 0.95 0.00 0.00 175.26 175.87 3gqm s TYR 246 N -2.29 0.14 -0.24 4.83 -0.85 -0.42 -4.79 117.35 113.73 3gqm s TYR 246 Ca 0.70 -0.32 -0.27 0.00 -0.52 0.00 0.00 57.07 56.66 3gqm s TYR 246 Cb -0.24 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 41.99 3gqm s TYR 246 CO 0.47 -0.26 0.93 0.34 -1.52 0.00 0.00 175.55 175.51 3gqm s ASP 247 N -1.51 6.96 0.24 -0.18 2.15 -1.26 -4.04 116.67 119.03 3gqm s ASP 247 Ca -0.14 1.20 -0.06 0.00 0.43 0.00 0.00 52.55 53.98 3gqm s ASP 247 Cb -0.08 -2.49 0.32 0.00 -0.30 0.00 0.00 42.92 40.38 3gqm s ASP 247 CO -0.00 -0.59 1.85 0.15 -0.17 0.00 0.00 175.17 176.41 3gqm h PHE 248 N 7.57 0.95 -0.16 -5.34 3.57 -1.96 -1.81 116.94 119.75 3gqm h PHE 248 Ca -0.21 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.21 3gqm h PHE 248 Cb 1.08 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3gqm h PHE 248 CO 0.75 0.48 -0.37 0.00 -2.23 0.00 0.00 178.31 176.93 3gqm h ARG 249 N 0.94 0.35 -0.45 1.11 3.08 -1.98 -2.08 114.38 115.36 3gqm h ARG 249 Ca 0.37 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 3gqm h ARG 249 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3gqm h ARG 249 CO -0.17 0.68 0.12 0.37 -1.07 0.00 0.00 179.97 179.89 3gqm h GLN 250 N 0.30 0.71 -0.22 0.04 5.75 -1.83 0.69 115.11 120.55 3gqm h GLN 250 Ca 0.03 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 3gqm h GLN 250 Cb 0.80 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.19 3gqm h GLN 250 CO 0.06 0.70 -0.20 0.35 -2.65 0.00 0.00 178.83 177.09 3gqm h PHE 251 N 0.59 -0.52 -0.63 3.99 3.57 -1.18 0.53 116.94 123.28 3gqm h PHE 251 Ca 0.14 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.70 3gqm h PHE 251 Cb 0.31 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3gqm h PHE 251 CO 0.02 -0.28 0.39 1.96 -2.23 0.00 0.00 178.31 178.17 3gqm h GLN 252 N -0.21 0.73 -0.18 1.11 4.20 -1.20 0.36 115.11 119.92 3gqm h GLN 252 Ca 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3gqm h GLN 252 Cb 0.41 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3gqm h GLN 252 CO -0.34 0.48 0.07 -0.09 -0.67 0.00 0.00 178.83 178.28 3gqm h ARG 253 N 0.75 0.28 -0.73 1.46 2.43 -0.13 -0.09 114.38 118.35 3gqm h ARG 253 Ca 0.26 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3gqm h ARG 253 Cb 0.04 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3gqm h ARG 253 CO -0.11 0.36 0.48 -0.91 -1.51 0.00 0.00 179.97 178.27 3gqm h ASN 254 N 0.14 0.81 0.22 -3.80 2.35 0.39 -1.94 115.58 113.74 3gqm h ASN 254 Ca 0.06 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.68 3gqm h ASN 254 Cb 0.19 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3gqm h ASN 254 CO -0.00 0.58 -0.46 0.00 -1.65 0.00 0.00 177.43 175.90 3gqm h ALA 255 N 1.29 1.00 -0.21 -0.83 0.00 -0.61 -2.00 119.26 117.90 3gqm h ALA 255 Ca 0.28 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3gqm h ALA 255 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gqm h ALA 255 CO -0.08 0.63 -0.00 0.37 0.00 0.00 0.00 179.25 180.17 3gqm h GLN 256 N 0.24 0.37 -0.16 0.00 4.15 -0.70 0.18 115.11 119.19 3gqm h GLN 256 Ca 0.02 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.37 3gqm h GLN 256 Cb 0.90 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.50 3gqm h GLN 256 CO 0.07 0.57 -0.26 -0.92 -1.93 0.00 0.00 178.83 176.36 3gqm h TYR 257 N 0.13 -0.70 -0.50 3.99 3.20 -1.21 0.21 116.97 122.08 3gqm h TYR 257 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3gqm h TYR 257 Cb 0.40 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3gqm h TYR 257 CO 0.04 -0.34 0.25 0.28 -1.64 0.00 0.00 178.16 176.74 3gqm h VAL 258 N -0.32 1.19 0.00 1.81 2.07 -1.16 0.15 116.25 119.99 3gqm h VAL 258 Ca 0.11 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3gqm h VAL 258 Cb 0.48 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3gqm h VAL 258 CO -0.34 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.46 3gqm h ALA 259 N 1.09 1.00 0.00 1.67 0.00 -0.29 -3.04 119.26 119.68 3gqm h ALA 259 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gqm h ALA 259 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gqm h ALA 259 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3gqm n GLY 260 N -0.69 0.47 4.14 0.00 0.00 0.71 -4.58 105.19 105.25 3gqm n GLY 260 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3gqm n GLY 260 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gqm n LEU 261 N 0.31 -0.80 0.00 0.99 -0.00 -1.18 -5.08 117.00 111.24 3gqm n LEU 261 Ca 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 56.01 54.75 3gqm n LEU 261 Cb 0.08 -1.70 0.00 0.00 -0.00 0.00 0.00 43.42 41.81 3gqm n LEU 261 CO 0.00 0.64 0.00 0.61 -0.00 0.00 0.00 177.39 178.64