#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 0.62 -0.42 1.57 2.43 -1.99 -1.82 114.38 114.77 3gqm h ARG 15 Ca 0.00 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3gqm h ARG 15 Cb 0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3gqm h ARG 15 CO 0.00 0.83 0.24 0.28 -1.51 0.00 0.00 179.97 179.81 3gqm h VAL 16 N 0.54 1.15 -0.30 0.20 2.07 -1.99 -1.26 116.25 116.66 3gqm h VAL 16 Ca 0.07 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3gqm h VAL 16 Cb 0.74 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3gqm h VAL 16 CO 0.06 0.16 0.01 0.74 0.02 0.00 0.00 177.57 178.55 3gqm h THR 17 N 0.55 1.25 -0.62 2.57 2.02 -1.97 -1.59 112.91 115.12 3gqm h THR 17 Ca 0.15 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 3gqm h THR 17 Cb 0.04 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3gqm h THR 17 CO -0.02 0.30 0.31 0.25 0.37 0.00 0.00 175.52 176.73 3gqm h LEU 18 N 0.33 0.81 0.15 2.58 5.85 -1.30 0.48 115.31 124.21 3gqm h LEU 18 Ca 0.09 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3gqm h LEU 18 Cb 0.42 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3gqm h LEU 18 CO 0.01 0.70 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.55 3gqm h ARG 19 N 0.86 -0.35 -0.39 1.25 2.43 -1.09 -0.75 114.38 116.33 3gqm h ARG 19 Ca 0.22 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3gqm h ARG 19 Cb 0.10 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3gqm h ARG 19 CO -0.03 -0.24 0.16 -0.22 -1.51 0.00 0.00 179.97 178.13 3gqm h LYS 20 N -0.37 0.32 -0.60 0.20 3.64 -1.07 -1.65 116.57 117.05 3gqm h LYS 20 Ca 0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3gqm h LYS 20 Cb 0.36 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3gqm h LYS 20 CO -0.06 0.21 0.20 0.00 -2.27 0.00 0.00 179.45 177.53 3gqm h ALA 21 N 1.23 1.23 -0.31 5.00 0.00 -0.72 0.23 119.26 125.92 3gqm h ALA 21 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3gqm h ALA 21 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gqm h ALA 21 CO -0.16 0.55 0.09 1.15 0.00 0.00 0.00 179.25 180.89 3gqm h THR 22 N 0.87 1.20 0.05 0.00 2.02 -0.72 0.29 112.91 116.62 3gqm h THR 22 Ca 0.20 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3gqm h THR 22 Cb 0.23 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3gqm h THR 22 CO -0.01 0.22 -0.03 -0.07 0.37 0.00 0.00 175.52 176.00 3gqm h LEU 23 N 0.34 -0.07 -0.84 2.58 3.38 -1.01 0.24 115.31 119.93 3gqm h LEU 23 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3gqm h LEU 23 Cb 0.25 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3gqm h LEU 23 CO -0.00 -0.05 0.54 0.00 0.09 0.00 0.00 178.44 179.02 3gqm h ALA 24 N 0.87 1.10 -0.11 1.53 0.00 -0.85 -0.25 119.26 121.56 3gqm h ALA 24 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gqm h ALA 24 Cb 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3gqm h ALA 24 CO 0.01 0.40 0.05 1.03 0.00 0.00 0.00 179.25 180.73 3gqm h SER 25 N 1.07 0.15 0.18 0.00 0.87 -0.69 -0.26 113.55 114.88 3gqm h SER 25 Ca 0.33 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3gqm h SER 25 Cb -0.03 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3gqm h SER 25 CO -0.10 0.26 -0.31 0.25 -0.53 0.00 0.00 176.83 176.40 3gqm h LEU 26 N 0.02 -0.87 -0.75 2.23 5.85 -0.72 -2.64 115.31 118.44 3gqm h LEU 26 Ca 0.04 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.97 3gqm h LEU 26 Cb 0.16 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 3gqm h LEU 26 CO -0.00 -0.41 0.35 0.24 -0.34 0.00 0.00 178.44 178.28 3gqm h MET 27 N -0.57 0.54 -0.55 1.25 2.86 -0.85 -1.31 114.93 116.30 3gqm h MET 27 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3gqm h MET 27 Cb 0.57 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3gqm h MET 27 CO -0.14 0.35 0.33 1.96 1.06 0.00 0.00 176.91 180.47 3gqm h GLN 28 N 0.55 0.74 0.00 1.72 4.20 -0.96 -2.69 115.11 118.68 3gqm h GLN 28 Ca 0.40 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3gqm h GLN 28 Cb 0.52 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3gqm h GLN 28 CO -0.33 0.52 0.00 0.66 -0.67 0.00 0.00 178.83 179.01 3gqm h SER 29 N 0.75 0.00 0.47 1.46 4.64 -0.86 -3.23 113.55 116.78 3gqm h SER 29 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3gqm h SER 29 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3gqm h SER 29 CO -0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.10 3gqm n LEU 30 N -2.79 0.00 0.00 5.97 4.32 -1.01 -0.24 117.00 123.25 3gqm n LEU 30 Ca 0.00 0.27 0.15 0.00 -0.02 0.00 0.00 56.01 56.41 3gqm n LEU 30 Cb 0.22 -0.27 0.86 0.00 -1.62 0.00 0.00 43.42 42.61 3gqm n LEU 30 CO 0.22 -0.04 1.06 -1.54 -1.22 0.00 0.00 177.39 175.88 3gqm n SER 31 N -1.27 0.00 -4.78 -1.43 3.41 -1.22 -4.31 113.62 104.02 3gqm n SER 31 Ca 0.13 -0.64 -0.37 0.00 -0.26 0.00 0.00 58.87 57.73 3gqm n SER 31 Cb 0.20 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3gqm n SER 31 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gqm s GLY 32 N -2.24 2.34 0.10 5.00 0.00 0.67 -5.01 107.32 108.18 3gqm s GLY 32 Ca 0.39 -0.34 -0.32 0.00 0.00 0.00 0.00 44.72 44.46 3gqm s GLY 32 CO 0.40 0.30 1.60 -2.09 0.00 0.00 0.00 173.10 173.31 3gqm h GLU 33 N 5.76 -0.73 -0.38 2.90 4.81 -1.85 0.49 114.58 125.58 3gqm h GLU 33 Ca -0.47 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.75 3gqm h GLU 33 Cb 1.19 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 3gqm h GLU 33 CO 0.68 -0.49 0.01 0.77 -0.73 0.00 0.00 179.01 179.25 3gqm h SER 34 N -0.76 0.66 -0.16 1.04 0.02 -1.94 -0.84 113.55 111.57 3gqm h SER 34 Ca -0.02 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3gqm h SER 34 Cb 0.70 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3gqm h SER 34 CO -0.11 0.80 0.00 0.28 -1.14 0.00 0.00 176.83 176.66 3gqm h SER 35 N 0.50 -0.05 -0.44 3.07 0.02 -1.73 -1.75 113.55 113.15 3gqm h SER 35 Ca 0.11 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3gqm h SER 35 Cb 0.46 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 3gqm h SER 35 CO 0.02 -0.00 0.19 -1.13 -1.14 0.00 0.00 176.83 174.76 3gqm h ASN 36 N 0.06 0.24 0.92 3.07 -0.73 0.24 -1.13 115.58 118.25 3gqm h ASN 36 Ca 0.07 0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.14 3gqm h ASN 36 Cb 0.09 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 3gqm h ASN 36 CO -0.12 0.18 -0.68 0.03 -0.37 0.00 0.00 177.43 176.46 3gqm h ARG 37 N 0.38 0.00 -0.02 6.67 3.08 -0.99 -2.16 114.38 121.34 3gqm h ARG 37 Ca 0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.03 3gqm h ARG 37 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gqm h ARG 37 CO -0.18 0.68 -0.90 0.28 -1.07 0.00 0.00 179.97 178.79 3gqm h VAL 38 N 0.00 1.39 -0.05 2.04 2.07 -1.21 -3.32 116.25 117.17 3gqm h VAL 38 Ca -0.01 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 3gqm h VAL 38 Cb 1.33 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 3gqm h VAL 38 CO 0.09 0.71 -0.02 -0.03 0.02 0.00 0.00 177.57 178.34 3gqm h MET 39 N 0.25 0.11 -2.14 1.57 1.85 -1.01 -3.35 114.93 112.21 3gqm h MET 39 Ca -0.07 -0.05 -0.71 0.00 -0.61 0.00 0.00 59.70 58.26 3gqm h MET 39 Cb 1.53 -0.00 -0.33 0.00 0.43 0.00 0.00 31.60 33.22 3gqm h MET 39 CO 0.16 0.49 0.35 0.91 -0.40 0.00 0.00 176.91 178.41 3gqm n TRP 40 N -4.81 3.26 -4.20 1.39 5.03 -0.83 -4.83 117.44 112.46 3gqm n TRP 40 Ca -0.07 -3.01 -0.26 0.00 3.03 0.00 0.00 57.50 57.19 3gqm n TRP 40 Cb 0.24 -0.86 -0.07 0.00 -1.03 0.00 0.00 31.31 29.59 3gqm n TRP 40 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 3gqm s ASN 41 N -2.18 4.84 -0.19 -0.99 2.47 -1.25 -4.93 114.94 112.72 3gqm s ASN 41 Ca 0.45 -0.38 0.15 0.00 0.42 0.00 0.00 52.86 53.50 3gqm s ASN 41 Cb 0.28 -1.05 0.71 0.00 -1.45 0.00 0.00 41.25 39.74 3gqm s ASN 41 CO -0.19 0.08 1.62 -0.90 -3.72 0.00 0.00 177.10 173.99 3gqm n ASP 42 N -0.21 4.96 -4.55 -4.21 5.68 -1.26 -4.87 116.55 112.09 3gqm n ASP 42 Ca -0.09 -2.83 -0.42 0.00 -0.50 0.00 0.00 54.79 50.95 3gqm n ASP 42 Cb 0.55 -0.61 -0.07 0.00 -1.14 0.00 0.00 41.12 39.85 3gqm n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gqm s ARG 43 N -2.54 3.56 -0.02 0.11 1.70 -1.26 -4.86 118.95 115.65 3gqm s ARG 43 Ca 0.50 -0.10 0.21 0.00 -0.47 0.00 0.00 55.73 55.87 3gqm s ARG 43 Cb 0.37 -3.85 -0.28 0.00 -0.57 0.00 0.00 34.95 30.62 3gqm s ARG 43 CO 0.16 -0.80 0.65 0.66 -1.08 0.00 0.00 175.30 174.90 3gqm n TYR 44 N 6.06 0.00 1.65 5.89 4.01 -1.26 -4.26 117.16 129.25 3gqm n TYR 44 Ca -0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.87 3gqm n TYR 44 Cb 0.48 -0.27 0.82 0.00 -0.31 0.00 0.00 39.34 40.06 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 -1.90 0.00 -4.31 7.72 5.75 -1.26 -4.04 116.55 118.51 3gqm n ASP 45 Ca -0.00 -0.58 -0.23 0.00 -0.01 0.00 0.00 54.79 53.96 3gqm n ASP 45 Cb 0.45 -0.12 -0.12 0.00 -1.03 0.00 0.00 41.12 40.30 3gqm n ASP 45 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3gqm s THR 46 N -2.25 1.78 -0.06 2.12 -1.32 -1.26 -4.83 115.64 109.82 3gqm s THR 46 Ca 0.37 -1.71 -0.38 0.00 -1.21 0.00 0.00 61.69 58.76 3gqm s THR 46 Cb 0.20 -1.69 -0.16 0.00 -1.51 0.00 0.00 72.50 69.33 3gqm s THR 46 CO 0.39 -0.16 1.49 0.18 -2.21 0.00 0.00 174.62 174.30 3gqm n LEU 47 N 0.75 1.85 -0.23 9.08 4.77 -1.26 -4.78 117.00 127.19 3gqm n LEU 47 Ca -0.17 1.11 0.01 0.00 -0.03 0.00 0.00 56.01 56.93 3gqm n LEU 47 Cb 0.55 -1.16 0.10 0.00 -2.33 0.00 0.00 43.42 40.58 3gqm n LEU 47 CO 0.25 -0.84 0.78 0.25 -1.33 0.00 0.00 177.39 176.49 3gqm h LEU 48 N 5.50 -0.47 0.00 2.23 6.46 -1.91 -0.17 115.31 126.95 3gqm h LEU 48 Ca -0.47 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 3gqm h LEU 48 Cb 1.33 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 41.62 3gqm h LEU 48 CO 0.84 -0.19 0.00 2.30 -0.62 0.00 0.00 178.44 180.78 3gqm n ILE 49 N -5.38 0.65 1.53 4.05 -5.35 -1.26 -2.42 119.36 111.17 3gqm n ILE 49 Ca 0.10 0.16 0.14 0.00 -0.27 0.00 0.00 62.75 62.88 3gqm n ILE 49 Cb 0.37 -0.90 0.55 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.34 2.58 -1.99 -1.28 0.00 -0.08 -4.91 120.51 113.49 3gqm n ALA 50 Ca 0.07 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.67 3gqm n ALA 50 Cb 0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.98 4.55 -0.26 0.00 0.52 -1.02 -5.01 118.95 115.75 3gqm s ARG 51 Ca 0.38 1.82 -0.04 0.00 -0.52 0.00 0.00 55.73 57.38 3gqm s ARG 51 Cb 0.21 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.46 3gqm s ARG 51 CO 0.33 0.02 -0.01 0.34 0.02 0.00 0.00 175.30 176.00 3gqm s ASP 52 N -0.16 4.60 0.59 0.23 -1.08 -1.26 -4.96 116.67 114.62 3gqm s ASP 52 Ca 0.50 -0.75 0.37 0.00 -0.52 0.00 0.00 52.55 52.15 3gqm s ASP 52 Cb -0.32 -1.75 1.82 0.00 -1.46 0.00 0.00 42.92 41.22 3gqm s ASP 52 CO 0.37 -0.13 2.17 1.55 0.52 0.00 0.00 175.17 179.64 3gqm h PRO 53 N 8.10 0.00 -0.05 4.34 0.13 -1.95 -0.65 132.00 141.93 3gqm h PRO 53 Ca -0.33 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.61 3gqm h PRO 53 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.26 3gqm h PRO 53 CO 0.59 0.03 -0.69 -0.09 -0.23 0.00 0.00 178.00 177.61 3gqm h ARG 54 N 0.00 0.55 -0.77 0.86 9.65 -1.97 -1.48 114.38 121.21 3gqm h ARG 54 Ca -0.00 -0.53 -0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3gqm h ARG 54 Cb 0.26 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.94 3gqm h ARG 54 CO 0.00 1.15 0.46 1.49 2.80 0.00 0.00 179.97 185.88 3gqm h GLU 55 N 0.14 1.05 0.04 0.20 4.81 -1.74 -0.50 114.58 118.58 3gqm h GLU 55 Ca -0.07 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3gqm h GLU 55 Cb 1.36 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3gqm h GLU 55 CO 0.14 0.74 -0.02 0.82 -0.73 0.00 0.00 179.01 179.96 3gqm h ILE 56 N 1.06 0.99 -0.35 2.32 2.04 -1.16 0.25 117.51 122.65 3gqm h ILE 56 Ca 0.28 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.09 3gqm h ILE 56 Cb -0.03 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3gqm h ILE 56 CO -0.05 0.02 0.12 0.50 0.00 0.00 0.00 178.15 178.74 3gqm h LYS 57 N -0.09 0.26 -0.97 2.37 1.63 -1.18 -1.41 116.57 117.19 3gqm h LYS 57 Ca -0.01 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3gqm h LYS 57 Cb 0.08 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 3gqm h LYS 57 CO 0.01 0.17 0.64 -0.91 -3.45 0.00 0.00 179.45 175.91 3gqm h ASN 58 N 0.27 1.08 -0.78 4.20 2.35 -0.85 -1.55 115.58 120.29 3gqm h ASN 58 Ca 0.16 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3gqm h ASN 58 Cb 0.13 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 3gqm h ASN 58 CO -0.16 0.76 0.52 0.00 -1.65 0.00 0.00 177.43 176.90 3gqm h ALA 59 N 1.42 0.99 -0.31 -0.83 0.00 0.14 -0.42 119.26 120.26 3gqm h ALA 59 Ca 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gqm h ALA 59 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3gqm h ALA 59 CO -0.10 0.41 0.17 0.82 0.00 0.00 0.00 179.25 180.55 3gqm h ILE 60 N 1.06 1.13 -0.81 0.00 2.04 -0.51 0.72 117.51 121.14 3gqm h ILE 60 Ca 0.29 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3gqm h ILE 60 Cb -0.12 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 3gqm h ILE 60 CO -0.06 0.13 0.51 -0.33 0.00 0.00 0.00 178.15 178.40 3gqm h GLU 61 N 0.38 0.95 -0.34 2.37 5.08 -1.09 -0.21 114.58 121.73 3gqm h GLU 61 Ca 0.11 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3gqm h GLU 61 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3gqm h GLU 61 CO -0.02 0.63 0.04 -0.22 -1.00 0.00 0.00 179.01 178.44 3gqm h LYS 62 N 0.98 0.57 -0.26 2.33 3.64 -0.80 -1.29 116.57 121.74 3gqm h LYS 62 Ca 0.33 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3gqm h LYS 62 Cb 0.06 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3gqm h LYS 62 CO -0.13 0.67 0.00 1.03 -2.27 0.00 0.00 179.45 178.76 3gqm h SER 63 N 0.40 -0.09 -0.67 4.20 0.87 -0.26 -1.40 113.55 116.60 3gqm h SER 63 Ca 0.10 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3gqm h SER 63 Cb 0.39 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3gqm h SER 63 CO 0.01 -0.01 0.44 0.58 -0.53 0.00 0.00 176.83 177.32 3gqm h VAL 64 N 0.09 1.16 -0.63 2.23 2.07 -0.90 -2.51 116.25 117.77 3gqm h VAL 64 Ca 0.13 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3gqm h VAL 64 Cb 0.16 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3gqm h VAL 64 CO -0.21 0.16 0.38 0.74 0.02 0.00 0.00 177.57 178.67 3gqm h THR 65 N 0.90 1.18 -0.76 2.57 2.02 -1.06 -0.13 112.91 117.64 3gqm h THR 65 Ca 0.25 -0.41 0.17 0.00 0.77 0.00 0.00 66.41 67.19 3gqm h THR 65 Cb -0.09 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.59 3gqm h THR 65 CO -0.06 0.19 0.51 0.44 0.37 0.00 0.00 175.52 176.97 3gqm h ASP 66 N 0.85 0.31 0.42 4.18 3.32 -0.82 0.16 116.42 124.84 3gqm h ASP 66 Ca 0.23 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gqm h ASP 66 Cb -0.03 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3gqm h ASP 66 CO -0.04 0.15 -0.04 0.49 -1.72 0.00 0.00 179.24 178.08 3gqm n PHE 67 N -4.45 0.00 -0.67 4.55 3.01 -0.94 -4.88 117.46 114.07 3gqm n PHE 67 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 3gqm n PHE 67 Cb 0.60 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 3gqm n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqm n GLY 68 N 1.24 0.61 0.00 1.37 0.00 0.56 -4.59 105.19 104.38 3gqm n GLY 68 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.67 2.00 0.28 -0.02 0.00 -0.10 -4.77 105.19 99.91 3gqm n GLY 69 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.55 -0.43 0.99 5.85 -1.93 -2.23 115.31 118.11 3gqm h LEU 70 Ca 0.00 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3gqm h LEU 70 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3gqm h LEU 70 CO 0.00 0.56 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.43 3gqm h GLU 71 N 0.58 0.86 -0.57 1.25 4.57 -1.95 -0.49 114.58 118.83 3gqm h GLU 71 Ca 0.13 -0.35 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 3gqm h GLU 71 Cb 0.25 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3gqm h GLU 71 CO -0.00 0.99 0.04 -0.91 -1.18 0.00 0.00 179.01 177.95 3gqm h ASN 72 N 0.68 0.95 -0.44 1.04 -0.26 -1.77 -0.82 115.58 114.96 3gqm h ASN 72 Ca 0.10 -0.29 0.02 0.00 -0.56 0.00 0.00 56.30 55.58 3gqm h ASN 72 Cb 0.70 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 3gqm h ASN 72 CO 0.05 1.00 0.24 0.22 -1.06 0.00 0.00 177.43 177.88 3gqm h TYR 73 N 0.86 0.45 -0.54 1.19 3.20 -1.10 0.03 116.97 121.07 3gqm h TYR 73 Ca 0.17 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 3gqm h TYR 73 Cb 0.49 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3gqm h TYR 73 CO 0.04 0.25 0.03 0.87 -1.64 0.00 0.00 178.16 177.71 3gqm h LYS 74 N 0.49 0.93 -0.67 1.82 1.57 -0.94 -2.09 116.57 117.68 3gqm h LYS 74 Ca 0.18 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3gqm h LYS 74 Cb 0.04 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3gqm h LYS 74 CO -0.10 0.93 0.36 1.49 -0.57 0.00 0.00 179.45 181.56 3gqm h GLU 75 N 0.80 0.93 -0.00 3.15 4.57 -0.86 0.72 114.58 123.89 3gqm h GLU 75 Ca 0.16 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3gqm h GLU 75 Cb 0.49 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3gqm h GLU 75 CO 0.02 0.69 -0.29 1.28 -1.18 0.00 0.00 179.01 179.53 3gqm n LEU 76 N -4.37 0.37 -0.87 1.64 4.77 -0.03 -4.17 117.00 114.33 3gqm n LEU 76 Ca 0.07 0.14 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 3gqm n LEU 76 Cb 0.10 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3gqm n LEU 76 CO 0.38 0.09 0.24 0.35 -1.33 0.00 0.00 177.39 177.12 3gqm n THR 77 N -1.40 0.84 0.00 -5.08 -2.24 -0.80 -5.00 114.28 100.59 3gqm n THR 77 Ca 0.07 -1.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 3gqm n THR 77 Cb 0.33 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.29 1.93 0.00 3.38 0.00 -0.69 -4.04 105.19 105.48 3gqm n GLY 78 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 1.02 3.75 -0.02 0.00 0.24 -4.95 105.19 103.23 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 3.46 -0.29 4.61 0.00 -1.26 -4.90 121.76 121.39 3gqm s ALA 80 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 3gqm s ALA 80 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3gqm s ALA 80 CO 0.00 -0.41 0.60 0.34 0.00 0.00 0.00 175.76 176.29 3gqm s ASP 81 N -0.35 6.49 0.10 0.00 -1.08 -1.26 -4.53 116.67 116.04 3gqm s ASP 81 Ca 0.50 0.47 0.23 0.00 -0.52 0.00 0.00 52.55 53.23 3gqm s ASP 81 Cb -0.35 -2.32 0.93 0.00 -1.46 0.00 0.00 42.92 39.72 3gqm s ASP 81 CO 0.43 -0.42 1.73 -0.81 0.52 0.00 0.00 175.17 176.62 3gqm n PRO 82 N 5.78 0.10 0.11 4.34 -0.04 -1.26 -2.07 135.00 141.95 3gqm n PRO 82 Ca -0.02 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 3gqm n PRO 82 Cb 0.49 -1.64 0.39 0.00 -0.04 0.00 0.00 33.50 32.70 3gqm n PRO 82 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3gqm h PHE 83 N 0.00 0.00 -3.99 0.54 0.04 -1.96 -3.47 116.94 108.09 3gqm h PHE 83 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 3gqm h PHE 83 Cb 0.46 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.73 3gqm h PHE 83 CO 0.00 0.00 0.69 0.00 -0.60 0.00 0.00 178.31 178.40 3gqm s ALA 84 N -3.11 3.22 0.28 2.45 0.00 -0.88 -4.97 121.76 118.75 3gqm s ALA 84 Ca 0.10 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 3gqm s ALA 84 Cb 0.12 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 3gqm s ALA 84 CO 0.60 -1.19 1.49 1.28 0.00 0.00 0.00 175.76 177.95 3gqm n LEU 85 N -0.23 3.83 -4.94 0.00 4.77 -1.26 -5.01 117.00 114.17 3gqm n LEU 85 Ca 0.05 1.16 -0.27 0.00 -0.03 0.00 0.00 56.01 56.91 3gqm n LEU 85 Cb 0.42 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.96 3gqm n LEU 85 CO 0.58 -0.15 -0.11 0.00 -1.33 0.00 0.00 177.39 176.38 3gqm s MET 86 N -0.70 3.43 -0.18 3.23 0.23 -1.26 -5.10 119.30 118.96 3gqm s MET 86 Ca 0.64 -0.56 0.01 0.00 -1.03 0.00 0.00 55.69 54.75 3gqm s MET 86 Cb -0.56 -2.98 0.02 0.00 -1.53 0.00 0.00 34.83 29.78 3gqm s MET 86 CO 0.51 0.54 -0.18 -0.08 -2.03 0.00 0.00 175.02 173.79 3gqm s THR 87 N -1.68 1.94 0.64 3.16 -1.32 -1.26 -5.05 115.64 112.06 3gqm s THR 87 Ca 0.35 -0.92 -0.13 0.00 -1.21 0.00 0.00 61.69 59.77 3gqm s THR 87 Cb -0.12 -1.80 -0.02 0.00 -1.51 0.00 0.00 72.50 69.06 3gqm s THR 87 CO 0.28 0.47 1.05 -2.16 -2.21 0.00 0.00 174.62 172.05 3gqm s PRO 88 N 1.33 3.23 0.81 7.08 0.04 -1.26 -5.04 135.00 141.19 3gqm s PRO 88 Ca 0.04 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 3gqm s PRO 88 Cb -0.14 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.45 3gqm s PRO 88 CO -0.12 -0.87 1.10 0.14 0.04 0.00 0.00 177.00 177.30 3gqm s VAL 89 N -2.82 2.94 0.20 -0.36 -7.23 -1.26 -4.67 120.40 107.21 3gqm s VAL 89 Ca 0.60 0.30 -0.15 0.00 -1.81 0.00 0.00 61.98 60.92 3gqm s VAL 89 Cb -0.14 -3.06 0.21 0.00 0.56 0.00 0.00 36.38 33.95 3gqm s VAL 89 CO 0.46 -0.40 1.62 0.00 -0.31 0.00 0.00 175.10 176.47 3gqm h GLY 91 N -0.05 0.27 1.33 0.00 0.00 -1.89 -0.88 103.07 101.86 3gqm h GLY 91 Ca 0.28 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 3gqm h GLY 91 CO -0.65 0.06 -0.03 -2.00 0.00 0.00 0.00 176.54 173.92 3gqm h LEU 92 N 0.22 0.78 0.04 3.11 5.85 -1.69 0.25 115.31 123.87 3gqm h LEU 92 Ca 0.08 -0.21 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 3gqm h LEU 92 Cb 0.02 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.85 3gqm h LEU 92 CO -0.06 0.87 -0.66 0.77 -0.34 0.00 0.00 178.44 179.02 3gqm h SER 93 N 0.75 0.52 -0.31 1.25 4.64 -1.11 -2.72 113.55 116.58 3gqm h SER 93 Ca 0.14 -0.81 0.01 0.00 -0.47 0.00 0.00 61.79 60.66 3gqm h SER 93 Cb 0.50 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3gqm h SER 93 CO 0.03 1.27 0.18 0.00 -0.87 0.00 0.00 176.83 177.43 3gqm h ALA 94 N 0.26 0.38 -0.59 5.18 0.00 -1.05 -1.74 119.26 121.70 3gqm h ALA 94 Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3gqm h ALA 94 Cb 1.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3gqm h ALA 94 CO 0.13 -0.19 0.12 -0.91 0.00 0.00 0.00 179.25 178.40 3gqm h ASN 95 N 0.37 0.92 -0.15 0.00 2.35 -0.99 -1.39 115.58 116.69 3gqm h ASN 95 Ca 0.12 -0.25 -0.17 0.00 -0.55 0.00 0.00 56.30 55.45 3gqm h ASN 95 Cb -0.00 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.13 3gqm h ASN 95 CO -0.05 0.94 -0.58 0.78 -1.65 0.00 0.00 177.43 176.86 3gqm h ASN 96 N 0.87 0.77 -0.49 5.81 2.35 -1.44 -2.48 115.58 120.97 3gqm h ASN 96 Ca 0.18 -0.61 -0.07 0.00 -0.55 0.00 0.00 56.30 55.25 3gqm h ASN 96 Cb 0.39 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3gqm h ASN 96 CO 0.01 1.26 0.05 0.40 -1.65 0.00 0.00 177.43 177.50 3gqm h ILE 97 N 0.34 1.25 -0.79 2.81 2.04 -1.30 0.45 117.51 122.31 3gqm h ILE 97 Ca -0.03 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.88 3gqm h ILE 97 Cb 1.21 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3gqm h ILE 97 CO 0.12 0.36 0.50 0.15 0.00 0.00 0.00 178.15 179.28 3gqm h PHE 98 N 0.84 0.93 -0.24 1.37 3.57 -1.27 -1.25 116.94 120.88 3gqm h PHE 98 Ca 0.17 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 3gqm h PHE 98 Cb 0.43 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3gqm h PHE 98 CO 0.03 0.52 -0.10 0.87 -2.23 0.00 0.00 178.31 177.39 3gqm h LYS 99 N 0.95 0.49 -0.97 1.11 1.57 -0.91 -2.45 116.57 116.35 3gqm h LYS 99 Ca 0.32 -0.21 0.17 0.00 -1.87 0.00 0.00 60.65 59.07 3gqm h LYS 99 Cb 0.05 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.24 3gqm h LYS 99 CO -0.13 0.75 0.58 1.25 -0.57 0.00 0.00 179.45 181.33 3gqm h LEU 100 N 0.21 0.75 0.08 2.94 5.85 -0.62 -0.75 115.31 123.77 3gqm h LEU 100 Ca 0.05 0.09 -0.26 0.00 0.84 0.00 0.00 57.88 58.61 3gqm h LEU 100 Cb 0.59 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3gqm h LEU 100 CO 0.03 0.29 -1.21 0.24 -0.34 0.00 0.00 178.44 177.46 3gqm h MET 101 N 0.77 0.16 0.00 1.25 2.86 -1.16 -3.39 114.93 115.42 3gqm h MET 101 Ca 0.55 -0.28 -0.24 0.00 -2.06 0.00 0.00 59.70 57.67 3gqm h MET 101 Cb 0.80 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.52 3gqm h MET 101 CO -0.37 1.10 -2.25 0.25 1.06 0.00 0.00 176.91 176.71 3gqm n THR 102 N -3.44 0.90 -2.65 2.22 -2.24 -0.93 -4.32 114.28 103.83 3gqm n THR 102 Ca -0.07 -0.73 -0.41 0.00 -2.27 0.00 0.00 64.05 60.57 3gqm n THR 102 Cb 1.00 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.84 4.69 0.00 -0.78 2.02 -0.31 -4.84 118.70 116.64 3gqm s GLU 103 Ca -0.09 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.47 3gqm s GLU 103 Cb 0.09 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 31.00 3gqm s GLU 103 CO 0.85 0.23 0.00 1.17 0.02 0.00 0.00 175.26 177.53 3gqm n LYS 104 N 2.30 0.00 -0.00 1.61 4.81 -1.26 -4.81 118.16 120.81 3gqm n LYS 104 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3gqm n LYS 104 Cb 0.47 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.52 3gqm n LYS 104 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3gqm n ASP 105 N -0.84 3.76 -4.27 3.14 5.68 -1.26 -4.99 116.55 117.77 3gqm n ASP 105 Ca 0.00 -0.12 -0.32 0.00 -0.50 0.00 0.00 54.79 53.85 3gqm n ASP 105 Cb 0.00 1.02 -0.16 0.00 -1.14 0.00 0.00 41.12 40.84 3gqm n ASP 105 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3gqm s VAL 106 N -1.81 2.37 0.16 2.12 -7.23 -1.26 -5.01 120.40 109.74 3gqm s VAL 106 Ca -0.00 -0.91 -0.33 0.00 -1.81 0.00 0.00 61.98 58.93 3gqm s VAL 106 Cb 0.00 -1.94 -0.16 0.00 0.56 0.00 0.00 36.38 34.85 3gqm s VAL 106 CO 0.02 0.55 1.10 -2.65 -0.31 0.00 0.00 175.10 173.81 3gqm n PRO 107 N 3.49 0.97 -4.07 4.82 -0.02 -1.26 -4.89 135.00 134.04 3gqm n PRO 107 Ca -0.19 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 3gqm n PRO 107 Cb 0.53 -1.80 -0.16 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.26 2.34 -0.49 4.25 1.01 -1.26 -4.97 121.20 121.82 3gqm s ILE 108 Ca 0.74 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 3gqm s ILE 108 Cb -0.89 -2.01 0.08 0.00 0.01 0.00 0.00 42.46 39.65 3gqm s ILE 108 CO 0.53 0.50 0.44 -0.62 0.00 0.00 0.00 174.94 175.80 3gqm s ASP 109 N 1.33 6.16 0.44 3.58 -1.08 -1.26 -4.82 116.67 121.02 3gqm s ASP 109 Ca 0.05 -1.38 0.16 0.00 -0.52 0.00 0.00 52.55 50.87 3gqm s ASP 109 Cb -0.13 -2.20 1.02 0.00 -1.46 0.00 0.00 42.92 40.14 3gqm s ASP 109 CO -0.11 -0.72 1.97 1.55 0.52 0.00 0.00 175.17 178.38 3gqm h PRO 110 N 8.81 0.00 0.00 4.34 0.13 -1.87 -0.44 132.00 142.98 3gqm h PRO 110 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 3gqm h PRO 110 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3gqm h PRO 110 CO 0.92 0.22 -0.25 1.79 -0.23 0.00 0.00 178.00 180.45 3gqm h THR 111 N 0.00 0.48 -0.02 1.56 1.35 -1.95 -3.26 112.91 111.07 3gqm h THR 111 Ca -0.00 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3gqm h THR 111 Cb 0.40 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3gqm h THR 111 CO 0.03 0.24 -0.10 -1.54 -0.25 0.00 0.00 175.52 173.90 3gqm n SER 112 N -3.24 1.78 -4.84 5.36 3.41 -0.22 -5.00 113.62 110.88 3gqm n SER 112 Ca 0.02 -1.49 -0.26 0.00 -0.26 0.00 0.00 58.87 56.88 3gqm n SER 112 Cb 0.55 0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.65 3gqm n SER 112 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gqm s ILE 113 N -2.15 2.23 -0.09 -1.33 -4.36 -0.92 -5.01 121.20 109.58 3gqm s ILE 113 Ca 0.31 -0.27 -0.30 0.00 -0.26 0.00 0.00 60.65 60.14 3gqm s ILE 113 Cb 0.20 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 3gqm s ILE 113 CO 0.39 0.00 1.14 -1.61 0.24 0.00 0.00 174.94 175.10 3gqm s GLU 114 N -5.30 4.35 0.04 0.37 0.41 -1.26 -5.04 118.70 112.28 3gqm s GLU 114 Ca 0.62 1.57 0.00 0.00 -0.41 0.00 0.00 54.97 56.75 3gqm s GLU 114 Cb -0.10 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.64 3gqm s GLU 114 CO 0.45 -0.45 0.14 0.71 -0.49 0.00 0.00 175.26 175.63 3gqm s TYR 115 N 2.35 3.37 -0.08 1.61 2.02 -1.26 -4.68 117.35 120.68 3gqm s TYR 115 Ca 0.53 0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 57.26 3gqm s TYR 115 Cb -0.22 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3gqm s TYR 115 CO 0.19 0.57 0.45 -0.51 -1.57 0.00 0.00 175.55 174.68 3gqm s LEU 116 N -2.22 4.34 0.00 -1.29 1.02 0.22 -4.88 118.68 115.87 3gqm s LEU 116 Ca 0.29 0.85 0.00 0.00 0.02 0.00 0.00 54.13 55.30 3gqm s LEU 116 Cb -0.12 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.43 3gqm s LEU 116 CO 0.22 0.10 0.18 1.21 0.02 0.00 0.00 176.35 178.07 3gqm n GLU 117 N 3.11 3.03 -1.16 1.70 2.13 -1.26 -1.48 120.64 126.72 3gqm n GLU 117 Ca -0.09 -0.18 -0.00 0.00 0.66 0.00 0.00 57.16 57.55 3gqm n GLU 117 Cb 0.52 -0.63 -0.01 0.00 0.27 0.00 0.00 31.44 31.59 3gqm n GLU 117 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3gqm n ASN 118 N -0.48 0.18 -4.17 4.31 5.15 -1.26 -4.92 115.26 114.07 3gqm n ASN 118 Ca 0.00 -1.93 -0.25 0.00 -0.60 0.00 0.00 54.58 51.80 3gqm n ASN 118 Cb 0.02 -0.07 -0.15 0.00 -0.53 0.00 0.00 39.78 39.04 3gqm n ASN 118 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3gqm s THR 119 N 0.00 1.37 0.49 -0.44 2.01 -1.26 -5.13 115.64 112.67 3gqm s THR 119 Ca 0.17 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 61.18 3gqm s THR 119 Cb 0.20 -1.14 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 3gqm s THR 119 CO -0.09 0.36 1.20 -0.55 -0.69 0.00 0.00 174.62 174.86 3gqm s SER 120 N -0.47 5.94 0.07 3.53 0.15 -1.26 -4.93 113.70 116.74 3gqm s SER 120 Ca 0.07 2.38 -0.20 0.00 0.70 0.00 0.00 55.95 58.90 3gqm s SER 120 Cb -0.07 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.53 3gqm s SER 120 CO -0.00 -1.08 1.53 0.15 1.20 0.00 0.00 173.24 175.03 3gqm h PHE 121 N 1.85 0.34 -0.18 3.44 3.57 -1.87 -0.36 116.94 123.73 3gqm h PHE 121 Ca -0.50 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 60.99 3gqm h PHE 121 Cb 1.26 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.84 3gqm h PHE 121 CO 0.52 0.49 -0.54 0.00 -2.23 0.00 0.00 178.31 176.55 3gqm h ALA 122 N 0.81 -0.85 -0.85 2.41 0.00 -1.91 0.20 119.26 119.06 3gqm h ALA 122 Ca 0.06 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.12 3gqm h ALA 122 Cb 0.34 1.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 3gqm h ALA 122 CO 0.01 -1.08 0.31 0.93 0.00 0.00 0.00 179.25 179.43 3gqm h GLU 123 N -0.55 0.34 -0.05 0.00 5.08 -1.90 -0.81 114.58 116.68 3gqm h GLU 123 Ca 0.04 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3gqm h GLU 123 Cb 0.67 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3gqm h GLU 123 CO -0.46 0.22 -0.44 1.25 -1.00 0.00 0.00 179.01 178.58 3gqm h HIS 124 N 0.35 0.55 -0.09 4.33 2.76 -0.37 -2.73 115.15 119.94 3gqm h HIS 124 Ca 0.52 -0.26 0.03 0.00 -2.20 0.00 0.00 60.37 58.45 3gqm h HIS 124 Cb 0.96 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 3gqm h HIS 124 CO -0.19 1.04 0.09 0.28 -1.30 0.00 0.00 177.93 177.85 3gqm h VAL 125 N -0.09 0.60 -0.41 5.26 2.07 -0.24 -1.48 116.25 121.95 3gqm h VAL 125 Ca -0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3gqm h VAL 125 Cb 1.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3gqm h VAL 125 CO 0.09 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 178.35 3gqm h ASN 126 N 0.00 0.73 0.23 0.57 2.35 -0.84 -2.93 115.58 115.69 3gqm h ASN 126 Ca 0.04 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3gqm h ASN 126 Cb 0.23 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3gqm h ASN 126 CO -0.00 0.87 0.00 0.35 -1.65 0.00 0.00 177.43 177.00 3gqm n THR 127 N -4.17 0.29 -3.14 2.81 -2.24 -0.56 -4.88 114.28 102.39 3gqm n THR 127 Ca 0.01 0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 3gqm n THR 127 Cb 0.36 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.38 4.51 -0.06 3.22 1.02 -1.11 -5.02 118.68 118.87 3gqm s LEU 128 Ca 0.22 1.42 -0.30 0.00 0.02 0.00 0.00 54.13 55.49 3gqm s LEU 128 Cb 0.13 -3.17 -0.05 0.00 0.02 0.00 0.00 46.19 43.12 3gqm s LEU 128 CO 0.26 0.20 1.50 -0.62 0.02 0.00 0.00 176.35 177.72 3gqm s ASP 129 N -1.24 6.77 0.62 2.29 -1.08 -1.26 -4.89 116.67 117.88 3gqm s ASP 129 Ca 0.34 2.09 0.29 0.00 -0.52 0.00 0.00 52.55 54.75 3gqm s ASP 129 Cb -0.20 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.24 3gqm s ASP 129 CO 0.22 -0.84 1.90 -1.28 0.52 0.00 0.00 175.17 175.69 3gqm h SER 130 N 8.78 0.00 -0.00 -0.34 0.87 -1.96 -2.37 113.55 118.53 3gqm h SER 130 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3gqm h SER 130 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3gqm h SER 130 CO 0.95 0.00 -0.92 1.41 -0.53 0.00 0.00 176.83 177.74 3gqm n HIS 131 N -3.37 0.00 -4.07 2.24 8.25 -1.26 -4.80 115.22 112.21 3gqm n HIS 131 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 3gqm n HIS 131 Cb 0.54 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 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 -2.86 3.00 0.05 -0.41 1.02 -0.89 -4.81 119.74 114.83 3gqm s LYS 132 Ca 0.08 -0.91 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 3gqm s LYS 132 Cb 0.15 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 3gqm s LYS 132 CO 0.81 0.45 0.46 -0.80 -0.92 0.00 0.00 175.35 175.35 3gqm s ASN 133 N -3.48 6.84 0.06 2.83 0.01 -1.26 -3.74 114.94 116.20 3gqm s ASN 133 Ca 0.32 1.01 0.03 0.00 -0.71 0.00 0.00 52.86 53.52 3gqm s ASN 133 Cb -0.09 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 3gqm s ASN 133 CO 0.25 0.26 -0.10 -0.31 -1.51 0.00 0.00 177.10 175.69 3gqm s TYR 134 N -1.19 0.90 0.01 2.20 2.02 0.12 -1.80 117.35 119.61 3gqm s TYR 134 Ca 0.28 -0.52 0.08 0.00 -0.37 0.00 0.00 57.07 56.54 3gqm s TYR 134 Cb -0.17 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.85 3gqm s TYR 134 CO 0.16 -0.03 -0.25 0.54 -1.57 0.00 0.00 175.55 174.40 3gqm s VAL 135 N -1.54 1.98 -0.15 0.71 0.11 -0.33 0.59 120.40 121.77 3gqm s VAL 135 Ca -0.05 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 57.82 3gqm s VAL 135 Cb -0.09 -1.67 0.01 0.00 -1.53 0.00 0.00 36.38 33.10 3gqm s VAL 135 CO 0.01 0.44 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.31 3gqm s VAL 136 N -0.69 2.03 -0.23 2.04 1.01 0.73 -1.23 120.40 124.06 3gqm s VAL 136 Ca 0.10 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 3gqm s VAL 136 Cb -0.10 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3gqm s VAL 136 CO 0.01 0.54 0.37 -0.51 0.00 0.00 0.00 175.10 175.51 3gqm s ILE 137 N 0.97 5.20 -0.23 2.22 2.07 0.16 -0.31 121.20 131.28 3gqm s ILE 137 Ca -0.03 0.62 -0.07 0.00 -1.41 0.00 0.00 60.65 59.76 3gqm s ILE 137 Cb -0.15 -3.70 -0.03 0.00 0.13 0.00 0.00 42.46 38.71 3gqm s ILE 137 CO -0.05 0.22 0.07 -0.69 -1.91 0.00 0.00 174.94 172.58 3gqm s VAL 138 N 1.57 4.48 -0.54 4.00 1.01 0.11 -1.17 120.40 129.88 3gqm s VAL 138 Ca 0.17 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 3gqm s VAL 138 Cb -0.15 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.29 3gqm s VAL 138 CO 0.08 0.36 0.44 0.21 0.00 0.00 0.00 175.10 176.20 3gqm s ASN 139 N 1.30 5.94 -0.51 3.32 3.84 0.13 -2.16 114.94 126.79 3gqm s ASN 139 Ca 0.05 -2.00 -0.16 0.00 0.21 0.00 0.00 52.86 50.96 3gqm s ASN 139 Cb -0.15 -2.09 0.10 0.00 -0.55 0.00 0.00 41.25 38.56 3gqm s ASN 139 CO 0.04 -0.72 0.49 -0.62 -2.79 0.00 0.00 177.10 173.50 3gqm s ASP 140 N 2.82 6.18 0.42 -4.21 -1.08 -0.02 -1.18 116.67 119.60 3gqm s ASP 140 Ca 0.07 -1.47 0.20 0.00 -0.52 0.00 0.00 52.55 50.82 3gqm s ASP 140 Cb -0.26 -2.22 0.95 0.00 -1.46 0.00 0.00 42.92 39.93 3gqm s ASP 140 CO -0.00 -0.80 1.87 1.23 0.52 0.00 0.00 175.17 177.99 3gqm h GLY 141 N 9.04 0.00 1.30 2.66 0.00 1.35 -0.22 103.07 117.21 3gqm h GLY 141 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3gqm h GLY 141 CO 0.97 0.00 -0.07 3.21 0.00 0.00 0.00 176.54 180.65 3gqm h ARG 142 N 0.00 0.83 0.00 4.80 -0.00 -1.71 -3.18 114.38 115.11 3gqm h ARG 142 Ca -0.00 -0.26 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 3gqm h ARG 142 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.53 3gqm h ARG 142 CO 0.04 0.88 -1.23 1.28 0.00 0.00 0.00 179.97 180.94 3gqm n LEU 143 N -4.17 0.56 -3.31 3.04 4.77 -1.11 -1.10 117.00 115.68 3gqm n LEU 143 Ca 0.02 -0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.73 3gqm n LEU 143 Cb 0.35 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3gqm n LEU 143 CO 0.43 0.06 0.15 0.61 -1.33 0.00 0.00 177.39 177.31 3gqm n GLY 144 N 1.36 -0.36 2.88 -0.72 0.00 -0.20 -4.66 105.19 103.49 3gqm n GLY 144 Ca 0.01 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.32 -0.02 -0.12 1.61 5.04 -0.54 -5.03 115.29 112.91 3gqm s HIS 145 Ca 0.20 0.09 -0.01 0.00 -1.54 0.00 0.00 55.06 53.80 3gqm s HIS 145 Cb -0.09 -0.03 -0.03 0.00 0.04 0.00 0.00 32.58 32.48 3gqm s HIS 145 CO 0.68 -0.03 -0.07 0.15 -2.34 0.00 0.00 174.74 173.13 3gqm s LYS 146 N 0.20 3.28 0.24 2.88 1.02 -1.26 -0.84 119.74 125.27 3gqm s LYS 146 Ca -0.02 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.27 3gqm s LYS 146 Cb -0.02 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 3gqm s LYS 146 CO -0.01 0.38 0.48 -0.59 -0.92 0.00 0.00 175.35 174.70 3gqm s PHE 147 N -0.05 0.34 -0.03 3.18 -0.12 -0.92 -4.44 117.98 115.94 3gqm s PHE 147 Ca -0.00 -0.70 0.04 0.00 -0.05 0.00 0.00 56.93 56.22 3gqm s PHE 147 Cb -0.13 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 3gqm s PHE 147 CO 0.03 -0.99 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.57 3gqm s LEU 148 N -3.01 2.83 -0.26 -1.99 1.43 0.14 0.09 118.68 117.91 3gqm s LEU 148 Ca 0.22 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 3gqm s LEU 148 Cb -0.01 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3gqm s LEU 148 CO 0.08 0.33 0.02 -0.63 0.23 0.00 0.00 176.35 176.38 3gqm s ILE 149 N -0.81 3.57 -0.18 -0.59 1.01 0.58 -1.45 121.20 123.33 3gqm s ILE 149 Ca 0.13 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 3gqm s ILE 149 Cb -0.11 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3gqm s ILE 149 CO 0.02 0.20 0.45 -0.62 0.00 0.00 0.00 174.94 175.00 3gqm s ASP 150 N 1.45 6.54 -0.65 3.58 -1.08 0.69 -0.19 116.67 127.01 3gqm s ASP 150 Ca 0.03 0.64 0.05 0.00 -0.52 0.00 0.00 52.55 52.75 3gqm s ASP 150 Cb -0.16 -2.26 0.20 0.00 -1.46 0.00 0.00 42.92 39.24 3gqm s ASP 150 CO -0.01 -0.09 0.59 0.18 0.52 0.00 0.00 175.17 176.36 3gqm n LEU 151 N 4.35 2.97 -4.78 -1.34 4.77 0.20 -1.15 117.00 122.02 3gqm n LEU 151 Ca -0.07 -5.23 -0.36 0.00 -0.03 0.00 0.00 56.01 50.32 3gqm n LEU 151 Cb 0.51 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3gqm n LEU 151 CO 0.41 1.90 0.75 -2.16 -1.33 0.00 0.00 177.39 176.96 3gqm s PRO 152 N -1.76 4.03 -0.49 3.23 0.04 -1.26 -0.70 135.00 138.09 3gqm s PRO 152 Ca 0.32 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 3gqm s PRO 152 Cb 0.05 -2.45 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 3gqm s PRO 152 CO -0.11 -0.27 1.59 0.00 0.04 0.00 0.00 177.00 178.25 3gqm s ALA 153 N -1.68 2.74 -0.17 8.56 0.00 -1.25 -4.58 121.76 125.39 3gqm s ALA 153 Ca 0.60 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 3gqm s ALA 153 Cb -0.23 -4.09 -0.06 0.00 0.00 0.00 0.00 23.12 18.75 3gqm s ALA 153 CO 0.28 -2.94 -0.28 1.28 0.00 0.00 0.00 175.76 174.09 3gqm n LEU 154 N 10.22 1.90 -2.30 0.00 4.77 -1.26 -4.96 117.00 125.36 3gqm n LEU 154 Ca 0.17 0.43 -0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3gqm n LEU 154 Cb 0.49 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3gqm n LEU 154 CO 0.70 -0.29 -0.33 -0.81 -1.33 0.00 0.00 177.39 175.34 3gqm n PRO 158 N -4.50 -0.18 -1.69 3.23 -0.04 -1.26 -5.13 135.00 125.43 3gqm n PRO 158 Ca -0.14 0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 63.43 3gqm n PRO 158 Cb 0.46 -0.66 0.02 0.00 -0.04 0.00 0.00 33.50 33.28 3gqm n PRO 158 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3gqm n ARG 159 N 1.01 1.75 -4.94 0.54 3.00 -1.26 -5.02 116.66 111.74 3gqm n ARG 159 Ca -0.00 0.63 -0.32 0.00 -0.00 0.00 0.00 57.85 58.16 3gqm n ARG 159 Cb 0.34 -2.34 -0.14 0.00 0.00 0.00 0.00 32.46 30.32 3gqm n ARG 159 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 3gqm s THR 160 N -1.24 2.83 -0.04 5.15 -1.32 -1.26 -4.91 115.64 114.85 3gqm s THR 160 Ca 0.63 -0.87 0.05 0.00 -1.21 0.00 0.00 61.69 60.30 3gqm s THR 160 Cb -0.50 -2.10 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 3gqm s THR 160 CO 0.56 0.55 -0.20 0.00 -2.21 0.00 0.00 174.62 173.32 3gqm s ALA 161 N -0.74 1.77 0.12 11.08 0.00 -1.26 -4.09 121.76 128.65 3gqm s ALA 161 Ca 0.12 -0.85 0.08 0.00 0.00 0.00 0.00 51.96 51.30 3gqm s ALA 161 Cb -0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 3gqm s ALA 161 CO 0.01 0.36 -0.19 0.71 0.00 0.00 0.00 175.76 176.64 3gqm s TYR 162 N -0.15 1.73 -0.11 0.00 2.02 -0.30 0.21 117.35 120.75 3gqm s TYR 162 Ca -0.01 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.21 3gqm s TYR 162 Cb -0.11 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 3gqm s TYR 162 CO 0.02 0.22 0.04 0.42 -1.57 0.00 0.00 175.55 174.68 3gqm s ILE 163 N -1.48 4.64 -0.08 2.71 -1.09 -1.26 -0.22 121.20 124.42 3gqm s ILE 163 Ca 0.08 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 3gqm s ILE 163 Cb -0.08 -2.99 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3gqm s ILE 163 CO 0.05 0.59 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.60 3gqm s ILE 164 N -0.71 1.09 0.22 2.92 1.01 -0.53 -4.72 121.20 120.48 3gqm s ILE 164 Ca 0.12 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 3gqm s ILE 164 Cb -0.12 -1.02 0.04 0.00 0.01 0.00 0.00 42.46 41.37 3gqm s ILE 164 CO 0.02 0.35 0.74 0.00 0.00 0.00 0.00 174.94 176.06 3gqm s GLN 165 N 0.93 1.53 0.15 2.79 -2.07 -1.26 -0.68 119.66 121.05 3gqm s GLN 165 Ca -0.10 -0.79 -0.01 0.00 -1.82 0.00 0.00 55.36 52.65 3gqm s GLN 165 Cb -0.15 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 3gqm s GLN 165 CO 0.01 -0.70 0.06 -1.54 -1.32 0.00 0.00 175.29 171.80 3gqm s SER 166 N -2.86 0.43 -0.23 12.60 1.04 -1.26 -4.17 113.70 119.25 3gqm s SER 166 Ca 0.09 -1.23 -0.11 0.00 0.48 0.00 0.00 55.95 55.18 3gqm s SER 166 Cb -0.04 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.45 3gqm s SER 166 CO 0.01 -0.72 0.54 -0.62 0.98 0.00 0.00 173.24 173.42 3gqm s ASP 167 N -3.09 -0.70 0.00 7.02 -1.08 -0.31 -3.72 116.67 114.79 3gqm s ASP 167 Ca 0.27 1.22 0.30 0.00 -0.52 0.00 0.00 52.55 53.82 3gqm s ASP 167 Cb 0.07 1.38 1.55 0.00 -1.46 0.00 0.00 42.92 44.47 3gqm s ASP 167 CO 0.04 -0.22 2.06 0.18 0.52 0.00 0.00 175.17 177.75 3gqm n LEU 168 N 4.78 0.09 0.00 -1.34 7.99 -1.26 0.04 117.00 127.30 3gqm n LEU 168 Ca -0.17 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3gqm n LEU 168 Cb 0.54 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 3gqm n LEU 168 CO 0.01 0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.52 3gqm n GLY 169 N 1.22 -3.77 0.04 -0.72 0.00 -1.26 -4.57 105.19 96.13 3gqm n GLY 169 Ca 0.16 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.29 3.03 0.00 -0.02 0.00 -1.26 -4.91 105.19 101.74 3gqm n GLY 170 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.76 0.40 -0.02 0.00 -1.26 -4.96 105.19 101.12 3gqm n GLY 171 Ca 0.00 -1.87 0.20 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.12 2.39 -3.37 4.61 0.00 -1.82 -3.44 119.26 116.52 3gqm h ALA 172 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 3gqm h ALA 172 Cb 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3gqm h ALA 172 CO 0.00 -0.60 -0.67 -0.51 0.00 0.00 0.00 179.25 177.47 3gqm s LEU 173 N -9.05 3.43 0.71 0.00 1.43 -1.26 -0.17 118.68 113.77 3gqm s LEU 173 Ca -0.07 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 3gqm s LEU 173 Cb 0.21 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 44.30 3gqm s LEU 173 CO 0.76 0.18 1.18 -2.16 0.23 0.00 0.00 176.35 176.54 3gqm s PRO 174 N -2.25 2.35 0.33 1.29 0.04 -1.25 -4.26 135.00 131.25 3gqm s PRO 174 Ca 0.25 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 3gqm s PRO 174 Cb -0.12 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 3gqm s PRO 174 CO 0.17 -1.66 1.34 0.00 0.04 0.00 0.00 177.00 176.90 3gqm n ALA 175 N -2.59 1.45 -3.70 8.56 0.00 -1.26 -4.61 120.51 118.36 3gqm n ALA 175 Ca 0.13 0.37 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 3gqm n ALA 175 Cb 0.51 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.54 3gqm n ALA 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gqm s VAL 176 N -0.89 -0.16 0.36 0.00 0.11 0.11 -4.91 120.40 115.01 3gqm s VAL 176 Ca 0.57 0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 59.55 3gqm s VAL 176 Cb -0.57 -0.43 -0.09 0.00 -1.53 0.00 0.00 36.38 33.77 3gqm s VAL 176 CO 0.60 0.08 1.08 -0.13 -3.33 0.00 0.00 175.10 173.40 3gqm s ARG 177 N 1.65 4.32 0.22 1.54 0.52 -1.26 -1.17 118.95 124.77 3gqm s ARG 177 Ca -0.06 1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.73 3gqm s ARG 177 Cb -0.11 -2.79 0.31 0.00 0.52 0.00 0.00 34.95 32.88 3gqm s ARG 177 CO -0.09 -0.04 1.77 -0.24 0.02 0.00 0.00 175.30 176.72 3gqm h VAL 178 N 2.53 0.82 -0.30 3.52 3.04 -1.87 -0.40 116.25 123.59 3gqm h VAL 178 Ca -0.48 -0.18 0.06 0.00 -1.01 0.00 0.00 66.70 65.09 3gqm h VAL 178 Cb 1.22 0.25 -0.06 0.00 -2.01 0.00 0.00 31.29 30.68 3gqm h VAL 178 CO 0.64 0.10 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.88 3gqm h GLU 179 N 0.53 -0.02 -0.35 4.17 3.07 -1.93 -1.10 114.58 118.95 3gqm h GLU 179 Ca 0.33 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.15 3gqm h GLU 179 Cb 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3gqm h GLU 179 CO -0.28 -0.01 0.05 -0.44 -1.40 0.00 0.00 179.01 176.93 3gqm h ASP 180 N -0.02 0.56 -0.03 1.42 3.32 -1.70 -1.52 116.42 118.45 3gqm h ASP 180 Ca 0.15 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.96 3gqm h ASP 180 Cb 0.24 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3gqm h ASP 180 CO -0.32 0.69 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.48 3gqm h TRP 181 N 0.42 -0.42 -0.43 4.55 2.91 -0.94 -0.40 115.95 121.64 3gqm h TRP 181 Ca 0.11 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.11 3gqm h TRP 181 Cb 0.37 0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.19 3gqm h TRP 181 CO 0.03 -0.23 0.14 0.82 -1.03 0.00 0.00 178.44 178.16 3gqm h ILE 182 N -0.25 1.22 -0.30 2.65 2.04 -1.23 0.55 117.51 122.20 3gqm h ILE 182 Ca 0.06 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3gqm h ILE 182 Cb 0.33 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3gqm h ILE 182 CO -0.18 0.26 0.06 -1.28 0.00 0.00 0.00 178.15 177.01 3gqm h SER 183 N 0.56 0.01 0.22 1.72 0.87 -1.00 -1.32 113.55 114.61 3gqm h SER 183 Ca 0.14 0.05 -0.35 0.00 -1.23 0.00 0.00 61.79 60.40 3gqm h SER 183 Cb 0.26 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3gqm h SER 183 CO -0.00 0.04 -1.79 0.03 -0.53 0.00 0.00 176.83 174.58 3gqm h ARG 184 N 0.17 0.33 0.00 2.24 2.47 -0.83 -3.41 114.38 115.34 3gqm h ARG 184 Ca 0.14 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 3gqm h ARG 184 Cb 0.15 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3gqm h ARG 184 CO -0.18 1.23 0.00 0.54 0.56 0.00 0.00 179.97 182.12 3gqm n ARG 185 N -3.52 1.94 0.10 0.04 1.74 0.19 -4.77 116.66 112.38 3gqm n ARG 185 Ca -0.25 -1.16 0.02 0.00 -0.77 0.00 0.00 57.85 55.69 3gqm n ARG 185 Cb 1.06 -0.87 0.36 0.00 -1.02 0.00 0.00 32.46 32.00 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 0.29 -2.49 -0.13 0.00 -0.90 -1.89 103.07 97.95 3gqm h GLY 186 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 47.33 46.85 3gqm h GLY 186 CO 0.00 0.17 -0.25 1.44 0.00 0.00 0.00 176.54 177.90 3gqm n SER 187 N -4.25 3.42 -4.40 0.19 7.64 -1.26 -4.76 113.62 110.20 3gqm n SER 187 Ca -0.01 -3.81 -0.44 0.00 1.01 0.00 0.00 58.87 55.63 3gqm n SER 187 Cb 0.29 -0.58 -0.08 0.00 -1.01 0.00 0.00 64.21 62.83 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 -2.86 6.13 0.50 6.43 2.15 -0.71 -5.06 116.67 123.25 3gqm s ASP 188 Ca 0.47 -1.26 -0.22 0.00 0.43 0.00 0.00 52.55 51.97 3gqm s ASP 188 Cb 0.41 -2.18 -0.06 0.00 -0.30 0.00 0.00 42.92 40.79 3gqm s ASP 188 CO -0.01 -0.61 1.22 -2.84 -0.17 0.00 0.00 175.17 172.76 3gqm s PRO 189 N 1.64 3.50 -0.12 4.34 0.02 -1.26 -4.62 135.00 138.51 3gqm s PRO 189 Ca 0.04 1.90 0.01 0.00 0.02 0.00 0.00 61.00 62.96 3gqm s PRO 189 Cb -0.23 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 31.96 3gqm s PRO 189 CO 0.07 -0.80 -0.13 0.08 -0.33 0.00 0.00 177.00 175.89 3gqm s VAL 190 N -1.49 3.03 0.04 3.83 1.01 0.13 -4.99 120.40 121.96 3gqm s VAL 190 Ca 0.67 -0.68 -0.36 0.00 0.00 0.00 0.00 61.98 61.62 3gqm s VAL 190 Cb -0.32 -2.26 -0.15 0.00 0.00 0.00 0.00 36.38 33.66 3gqm s VAL 190 CO 0.38 0.54 1.56 -0.24 0.00 0.00 0.00 175.10 177.33 3gqm n SER 191 N 3.33 2.54 0.18 3.32 2.88 -1.26 -4.06 113.62 120.55 3gqm n SER 191 Ca -0.18 1.08 0.04 0.00 -1.33 0.00 0.00 58.87 58.47 3gqm n SER 191 Cb 0.53 -1.30 0.35 0.00 -0.75 0.00 0.00 64.21 63.04 3gqm n SER 191 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3gqm h LEU 192 N 6.11 0.00 -0.34 2.46 3.38 -1.95 -1.87 115.31 123.10 3gqm h LEU 192 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3gqm h LEU 192 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3gqm h LEU 192 CO 0.87 0.40 -0.00 -0.78 0.09 0.00 0.00 178.44 179.01 3gqm h ASP 193 N 0.00 0.59 -0.38 -0.43 3.58 -1.99 0.28 116.42 118.08 3gqm h ASP 193 Ca -0.00 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.15 3gqm h ASP 193 Cb 0.78 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 3gqm h ASP 193 CO 0.05 0.75 0.22 -0.33 -2.88 0.00 0.00 179.24 177.06 3gqm h GLU 194 N 0.40 0.44 -0.84 0.28 5.08 -1.89 -0.84 114.58 117.21 3gqm h GLU 194 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3gqm h GLU 194 Cb 0.45 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 3gqm h GLU 194 CO 0.02 0.29 0.52 -0.07 -1.00 0.00 0.00 179.01 178.76 3gqm h LEU 195 N 0.45 1.00 -0.66 1.33 3.38 -1.20 -0.40 115.31 119.21 3gqm h LEU 195 Ca 0.15 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3gqm h LEU 195 Cb 0.00 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.44 3gqm h LEU 195 CO -0.07 0.76 0.35 -1.13 0.09 0.00 0.00 178.44 178.44 3gqm h ASN 196 N 1.15 0.49 -0.29 -0.43 -1.24 0.10 0.16 115.58 115.53 3gqm h ASN 196 Ca 0.30 0.04 -0.15 0.00 0.71 0.00 0.00 56.30 57.20 3gqm h ASN 196 Cb -0.06 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 38.93 3gqm h ASN 196 CO -0.06 0.31 -0.42 1.56 -1.29 0.00 0.00 177.43 177.54 3gqm h GLN 197 N 0.63 0.79 -0.53 6.67 4.20 -0.54 -2.63 115.11 123.70 3gqm h GLN 197 Ca 0.30 -0.46 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 3gqm h GLN 197 Cb 0.24 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3gqm h GLN 197 CO -0.21 1.09 0.23 1.25 -0.67 0.00 0.00 178.83 180.52 3gqm h LEU 198 N 0.54 0.72 -0.07 1.46 5.85 -0.89 -2.69 115.31 120.24 3gqm h LEU 198 Ca 0.03 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3gqm h LEU 198 Cb 1.01 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3gqm h LEU 198 CO 0.10 0.68 0.00 0.18 -0.34 0.00 0.00 178.44 179.05 3gqm n LEU 199 N -4.54 0.10 -4.85 2.25 4.32 0.54 -4.73 117.00 110.08 3gqm n LEU 199 Ca 0.02 -0.04 -0.32 0.00 -0.02 0.00 0.00 56.01 55.65 3gqm n LEU 199 Cb 0.14 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 41.89 3gqm n LEU 199 CO 0.38 0.02 0.50 -0.55 -1.22 0.00 0.00 177.39 176.52 3gqm s SER 200 N -1.27 6.70 0.45 -1.43 0.15 -1.00 -4.76 113.70 112.55 3gqm s SER 200 Ca 0.14 1.34 0.25 0.00 0.70 0.00 0.00 55.95 58.38 3gqm s SER 200 Cb 0.06 -2.40 0.93 0.00 -1.71 0.00 0.00 66.02 62.90 3gqm s SER 200 CO 0.10 -0.35 1.83 0.11 1.20 0.00 0.00 173.24 176.14 3gqm h LYS 201 N 1.70 0.00 0.00 5.44 6.56 -1.88 -2.37 116.57 126.03 3gqm h LYS 201 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 3gqm h LYS 201 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 3gqm h LYS 201 CO 0.64 0.20 0.00 -0.25 -2.06 0.00 0.00 179.45 177.98 3gqm n ASP 202 N -3.35 0.00 -0.26 0.86 8.00 -1.26 -3.36 116.55 117.18 3gqm n ASP 202 Ca 0.00 0.14 0.01 0.00 0.71 0.00 0.00 54.79 55.65 3gqm n ASP 202 Cb 0.43 -0.30 0.22 0.00 -0.02 0.00 0.00 41.12 41.45 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 1.01 0.00 1.24 3.57 -1.59 -3.05 116.94 118.12 3gqm h PHE 203 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3gqm h PHE 203 Cb 0.11 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3gqm h PHE 203 CO 0.00 0.62 -0.33 0.66 -2.23 0.00 0.00 178.31 177.04 3gqm h SER 204 N 1.08 0.00 0.20 0.41 4.64 -1.79 -2.68 113.55 115.41 3gqm h SER 204 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3gqm h SER 204 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3gqm h SER 204 CO -0.08 0.33 -0.45 2.29 -0.87 0.00 0.00 176.83 178.05 3gqm n LYS 205 N -3.37 0.65 -1.39 4.77 2.85 -1.16 -4.98 118.16 115.54 3gqm n LYS 205 Ca 0.01 -0.45 -0.33 0.00 -1.05 0.00 0.00 58.31 56.49 3gqm n LYS 205 Cb 0.53 -1.49 0.09 0.00 -0.65 0.00 0.00 35.03 33.51 3gqm n LYS 205 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 3gqm s MET 206 N -2.66 2.20 0.61 -1.58 -1.94 -1.01 -4.96 119.30 109.96 3gqm s MET 206 Ca 0.18 1.48 -0.18 0.00 -1.71 0.00 0.00 55.69 55.46 3gqm s MET 206 Cb 0.18 -1.87 -0.03 0.00 2.01 0.00 0.00 34.83 35.13 3gqm s MET 206 CO 0.61 -1.73 1.19 -2.14 -0.01 0.00 0.00 175.02 172.94 3gqm s PRO 207 N -4.30 2.90 0.26 2.03 0.02 -1.26 -4.73 135.00 129.91 3gqm s PRO 207 Ca 0.68 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 63.42 3gqm s PRO 207 Cb -0.23 -1.93 0.54 0.00 0.02 0.00 0.00 34.50 32.91 3gqm s PRO 207 CO 0.48 -1.24 1.71 -0.44 -0.33 0.00 0.00 177.00 177.18 3gqm h ASP 208 N 0.68 0.24 -0.46 2.53 5.19 -1.98 0.31 116.42 122.93 3gqm h ASP 208 Ca -0.50 0.13 -0.04 0.00 -0.62 0.00 0.00 57.03 56.00 3gqm h ASP 208 Cb 1.29 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 3gqm h ASP 208 CO 0.54 0.04 0.14 -2.24 -3.12 0.00 0.00 179.24 174.61 3gqm h ASP 209 N 0.40 0.72 -0.20 6.45 2.03 -1.99 -0.41 116.42 123.43 3gqm h ASP 209 Ca 0.46 -0.12 -0.08 0.00 -0.73 0.00 0.00 57.03 56.56 3gqm h ASP 209 Cb 0.78 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3gqm h ASP 209 CO -0.47 0.70 -0.20 0.58 -1.03 0.00 0.00 179.24 178.82 3gqm h VAL 210 N 0.76 1.33 -0.28 4.15 2.07 -0.76 -0.20 116.25 123.32 3gqm h VAL 210 Ca 0.17 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3gqm h VAL 210 Cb 0.25 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3gqm h VAL 210 CO -0.01 0.42 0.16 1.56 0.02 0.00 0.00 177.57 179.72 3gqm h GLN 211 N 0.15 0.33 -0.35 1.57 4.20 -1.22 -0.50 115.11 119.29 3gqm h GLN 211 Ca 0.03 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3gqm h GLN 211 Cb 0.75 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3gqm h GLN 211 CO 0.05 0.22 0.15 1.15 -0.67 0.00 0.00 178.83 179.72 3gqm h THR 212 N 0.34 0.95 -0.19 -0.54 2.02 -1.01 -1.09 112.91 113.39 3gqm h THR 212 Ca 0.11 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 3gqm h THR 212 Cb -0.01 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3gqm h THR 212 CO -0.05 0.06 -0.56 0.03 0.37 0.00 0.00 175.52 175.37 3gqm h ARG 213 N 0.31 0.59 -0.59 6.66 3.08 -0.90 -2.28 114.38 121.25 3gqm h ARG 213 Ca 0.15 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 3gqm h ARG 213 Cb 0.09 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3gqm h ARG 213 CO -0.13 0.99 0.25 1.25 -1.07 0.00 0.00 179.97 181.26 3gqm h LEU 214 N 0.45 0.81 -0.56 3.04 5.85 -0.99 -0.33 115.31 123.58 3gqm h LEU 214 Ca 0.01 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 3gqm h LEU 214 Cb 1.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 3gqm h LEU 214 CO 0.11 0.75 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.81 3gqm h LEU 215 N 0.82 1.03 -0.36 2.25 3.38 -1.17 -1.91 115.31 119.34 3gqm h LEU 215 Ca 0.20 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3gqm h LEU 215 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gqm h LEU 215 CO -0.02 1.12 0.07 0.00 0.09 0.00 0.00 178.44 179.71 3gqm h ALA 216 N 0.94 0.48 -0.32 1.53 0.00 -1.33 -0.81 119.26 119.76 3gqm h ALA 216 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3gqm h ALA 216 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3gqm h ALA 216 CO 0.04 0.17 0.09 1.03 0.00 0.00 0.00 179.25 180.58 3gqm h SER 217 N 0.43 0.48 0.34 0.00 0.87 -0.95 -2.79 113.55 111.93 3gqm h SER 217 Ca 0.11 -0.22 -0.33 0.00 -1.23 0.00 0.00 61.79 60.13 3gqm h SER 217 Cb 0.34 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3gqm h SER 217 CO 0.00 0.57 -1.57 0.40 -0.53 0.00 0.00 176.83 175.71 3gqm h ILE 218 N 0.36 1.15 0.00 2.23 2.04 -1.39 -3.43 117.51 118.46 3gqm h ILE 218 Ca 0.10 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.25 3gqm h ILE 218 Cb 0.27 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3gqm h ILE 218 CO -0.00 0.84 0.00 0.18 0.00 0.00 0.00 178.15 179.17 3gqm n LEU 219 N -3.57 1.09 -4.29 1.44 4.77 -0.31 -4.91 117.00 111.22 3gqm n LEU 219 Ca -0.18 -1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 54.39 3gqm n LEU 219 Cb 1.07 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 42.00 3gqm n LEU 219 CO 0.54 0.27 -0.55 -1.58 -1.33 0.00 0.00 177.39 174.74 3gqm s GLN 220 N -0.34 2.60 0.41 3.23 -0.44 -1.05 -4.96 119.66 119.10 3gqm s GLN 220 Ca 0.00 -0.88 0.10 0.00 -2.50 0.00 0.00 55.36 52.08 3gqm s GLN 220 Cb 0.00 -2.21 0.86 0.00 -1.64 0.00 0.00 33.01 30.03 3gqm s GLN 220 CO 0.00 0.39 1.97 0.97 0.50 0.00 0.00 175.29 179.11 3gqm h ILE 221 N 5.03 1.14 -0.61 -2.34 2.10 -1.95 -1.04 117.51 119.85 3gqm h ILE 221 Ca -0.32 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.01 3gqm h ILE 221 Cb 1.18 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3gqm h ILE 221 CO 0.48 0.19 0.00 0.47 -1.08 0.00 0.00 178.15 178.21 3gqm n ASP 222 N -4.33 3.88 -4.18 2.19 8.00 -1.26 -4.86 116.55 115.98 3gqm n ASP 222 Ca -0.01 -2.12 -0.32 0.00 0.71 0.00 0.00 54.79 53.05 3gqm n ASP 222 Cb 0.22 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 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 1.20 -2.48 -3.95 -1.24 5.02 -0.39 -4.92 118.16 111.40 3gqm n LYS 223 Ca 0.22 0.30 -0.34 0.00 -2.02 0.00 0.00 58.31 56.46 3gqm n LYS 223 Cb 0.64 -4.52 -0.14 0.00 -0.02 0.00 0.00 35.03 30.99 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 -3.92 4.72 0.55 4.39 2.15 -1.26 -4.69 116.67 118.62 3gqm s ASP 224 Ca 0.32 -1.26 0.34 0.00 0.43 0.00 0.00 52.55 52.38 3gqm s ASP 224 Cb -0.18 -1.67 1.40 0.00 -0.30 0.00 0.00 42.92 42.17 3gqm s ASP 224 CO 0.94 -0.23 2.00 -0.65 -0.17 0.00 0.00 175.17 177.06 3gqm h PRO 225 N 7.95 0.00 0.00 4.34 0.11 -1.91 -2.02 132.00 140.47 3gqm h PRO 225 Ca -0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 3gqm h PRO 225 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gqm h PRO 225 CO 0.52 0.02 -0.01 0.45 -0.21 0.00 0.00 178.00 178.77 3gqm h HIS 226 N 0.00 0.00 -0.11 0.65 3.86 -1.95 -2.23 115.15 115.38 3gqm h HIS 226 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gqm h HIS 226 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3gqm h HIS 226 CO 0.00 0.01 0.00 1.63 0.86 0.00 0.00 177.93 180.43 3gqm n LYS 227 N -3.16 1.90 -4.48 2.45 4.76 -0.76 -4.92 118.16 113.95 3gqm n LYS 227 Ca -0.02 -1.33 -0.34 0.00 -2.87 0.00 0.00 58.31 53.75 3gqm n LYS 227 Cb 0.16 -1.45 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 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 -1.88 4.00 -0.42 -0.18 1.01 -0.84 -3.83 120.40 118.25 3gqm s VAL 228 Ca 0.35 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3gqm s VAL 228 Cb 0.20 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 34.03 3gqm s VAL 228 CO 0.30 0.57 0.21 -0.62 0.00 0.00 0.00 175.10 175.57 3gqm s ASP 229 N -0.95 3.82 0.18 3.32 -1.08 0.76 -4.99 116.67 117.74 3gqm s ASP 229 Ca 0.14 -2.50 0.21 0.00 -0.52 0.00 0.00 52.55 49.87 3gqm s ASP 229 Cb -0.11 -1.10 0.87 0.00 -1.46 0.00 0.00 42.92 41.12 3gqm s ASP 229 CO 0.03 -0.29 1.63 2.30 0.52 0.00 0.00 175.17 179.36 3gqm n ILE 230 N 3.72 0.89 0.31 4.11 -6.64 -1.26 -2.51 119.36 117.98 3gqm n ILE 230 Ca 0.07 0.24 0.19 0.00 -1.77 0.00 0.00 62.75 61.48 3gqm n ILE 230 Cb 0.36 -1.12 0.96 0.00 -1.44 0.00 0.00 39.64 38.39 3gqm n ILE 230 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 3gqm h LYS 231 N 0.00 0.00 0.00 6.28 1.79 -1.95 -1.52 116.57 121.17 3gqm h LYS 231 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gqm h LYS 231 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3gqm h LYS 231 CO 0.00 0.02 0.00 1.63 -1.08 0.00 0.00 179.45 180.02 3gqm n LYS 232 N -3.20 0.22 -1.94 3.15 4.76 -1.04 -4.84 118.16 115.27 3gqm n LYS 232 Ca -0.02 0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 3gqm n LYS 232 Cb 0.17 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.73 4.37 -0.78 -0.35 1.02 -0.57 -4.61 118.68 115.03 3gqm s LEU 233 Ca 0.19 2.75 -0.16 0.00 0.02 0.00 0.00 54.13 56.93 3gqm s LEU 233 Cb 0.16 -3.63 0.16 0.00 0.02 0.00 0.00 46.19 42.91 3gqm s LEU 233 CO 0.40 -0.77 0.82 -1.00 0.02 0.00 0.00 176.35 175.82 3gqm s HIS 234 N 0.02 3.39 -0.39 0.29 3.76 -0.26 -4.92 115.29 117.18 3gqm s HIS 234 Ca 0.61 -1.55 0.20 0.00 -0.15 0.00 0.00 55.06 54.17 3gqm s HIS 234 Cb -0.44 -3.98 0.99 0.00 1.11 0.00 0.00 32.58 30.27 3gqm s HIS 234 CO 0.44 -1.19 1.61 1.28 -0.85 0.00 0.00 174.74 176.04 3gqm n LEU 235 N 5.26 0.53 -0.38 0.89 4.77 -1.26 0.10 117.00 126.90 3gqm n LEU 235 Ca 0.09 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 3gqm n LEU 235 Cb 0.46 -0.71 0.15 0.00 -2.33 0.00 0.00 43.42 40.99 3gqm n LEU 235 CO 0.45 -0.76 0.44 0.47 -1.33 0.00 0.00 177.39 176.66 3gqm n ASP 236 N -2.16 1.58 -4.28 -1.43 8.00 -1.26 -4.84 116.55 112.17 3gqm n ASP 236 Ca 0.00 -1.24 -0.35 0.00 0.71 0.00 0.00 54.79 53.91 3gqm n ASP 236 Cb 0.10 0.35 0.07 0.00 -0.02 0.00 0.00 41.12 41.61 3gqm n ASP 236 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqm n GLY 237 N 1.39 -2.89 3.87 0.44 0.00 0.11 -4.94 105.19 103.17 3gqm n GLY 237 Ca 0.10 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3gqm n GLY 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqm s LYS 238 N -2.56 3.80 -0.21 1.61 2.47 -1.26 -4.23 119.74 119.37 3gqm s LYS 238 Ca 0.54 0.25 -0.01 0.00 -1.56 0.00 0.00 55.97 55.19 3gqm s LYS 238 Cb -0.27 -2.76 0.01 0.00 -1.46 0.00 0.00 37.83 33.35 3gqm s LYS 238 CO 0.70 0.39 -0.13 -1.17 0.16 0.00 0.00 175.35 175.30 3gqm s LEU 239 N -2.55 2.59 0.05 5.43 1.98 -1.26 0.54 118.68 125.46 3gqm s LEU 239 Ca 0.43 -0.65 0.04 0.00 -2.89 0.00 0.00 54.13 51.07 3gqm s LEU 239 Cb -0.12 -1.59 -0.02 0.00 0.66 0.00 0.00 46.19 45.11 3gqm s LEU 239 CO 0.21 -0.04 -0.13 -0.13 -1.89 0.00 0.00 176.35 174.37 3gqm s ARG 240 N 1.34 0.80 0.02 1.98 0.52 -0.32 -4.69 118.95 118.60 3gqm s ARG 240 Ca 0.04 -0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 54.35 3gqm s ARG 240 Cb -0.14 -0.77 -0.00 0.00 0.52 0.00 0.00 34.95 34.56 3gqm s ARG 240 CO -0.08 0.18 0.14 -0.59 0.02 0.00 0.00 175.30 174.97 3gqm s PHE 241 N -1.08 0.09 -0.01 -0.53 -0.12 -0.55 0.20 117.98 115.98 3gqm s PHE 241 Ca -0.02 -0.28 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 3gqm s PHE 241 Cb -0.09 -0.07 -0.00 0.00 -0.63 0.00 0.00 43.02 42.23 3gqm s PHE 241 CO 0.02 -0.35 -0.05 0.00 -0.05 0.00 0.00 175.22 174.78 3gqm s ALA 242 N -2.06 0.46 0.24 1.99 0.00 -0.31 0.70 121.76 122.77 3gqm s ALA 242 Ca -0.09 -0.22 0.11 0.00 0.00 0.00 0.00 51.96 51.76 3gqm s ALA 242 Cb -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3gqm s ALA 242 CO -0.02 0.10 -0.16 -1.54 0.00 0.00 0.00 175.76 174.14 3gqm s SER 243 N -0.06 3.82 -0.13 0.00 1.04 -1.26 0.40 113.70 117.50 3gqm s SER 243 Ca 0.01 -0.84 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 3gqm s SER 243 Cb -0.03 -0.45 0.05 0.00 0.10 0.00 0.00 66.02 65.69 3gqm s SER 243 CO -0.00 0.07 0.48 -2.28 0.98 0.00 0.00 173.24 172.49 3gqm s HIS 244 N -2.10 -0.49 0.51 5.02 2.46 -0.37 -4.99 115.29 115.34 3gqm s HIS 244 Ca 0.27 1.09 -0.20 0.00 0.47 0.00 0.00 55.06 56.68 3gqm s HIS 244 Cb -0.07 0.20 -0.07 0.00 -0.13 0.00 0.00 32.58 32.52 3gqm s HIS 244 CO 0.14 -0.34 1.12 -2.00 -2.47 0.00 0.00 174.74 171.20 3gqm s GLU 245 N -0.26 3.53 0.04 2.88 2.12 -1.26 -1.18 118.70 124.56 3gqm s GLU 245 Ca -0.04 1.61 -0.01 0.00 0.36 0.00 0.00 54.97 56.89 3gqm s GLU 245 Cb -0.03 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.21 3gqm s GLU 245 CO 0.03 -0.71 -0.02 1.52 -0.54 0.00 0.00 175.26 175.54 3gqm s TYR 246 N -1.75 0.39 -0.20 5.30 -0.85 -0.75 -4.80 117.35 114.71 3gqm s TYR 246 Ca 0.70 -0.81 -0.13 0.00 -0.52 0.00 0.00 57.07 56.31 3gqm s TYR 246 Cb -0.24 -0.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.76 3gqm s TYR 246 CO 0.28 -0.30 0.25 0.34 -1.52 0.00 0.00 175.55 174.59 3gqm s ASP 247 N -2.28 6.31 0.18 -0.18 2.15 -1.26 -4.03 116.67 117.56 3gqm s ASP 247 Ca -0.03 0.35 -0.13 0.00 0.43 0.00 0.00 52.55 53.17 3gqm s ASP 247 Cb 0.00 -2.15 0.09 0.00 -0.30 0.00 0.00 42.92 40.56 3gqm s ASP 247 CO -0.06 0.07 1.82 0.15 -0.17 0.00 0.00 175.17 176.98 3gqm h PHE 248 N 7.04 0.79 -0.52 -5.34 3.57 -1.97 -1.60 116.94 118.91 3gqm h PHE 248 Ca -0.39 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 60.99 3gqm h PHE 248 Cb 1.16 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3gqm h PHE 248 CO 0.63 0.54 -0.12 -0.09 -2.23 0.00 0.00 178.31 177.04 3gqm h ARG 249 N 0.81 0.99 -0.77 1.11 9.65 -1.98 -1.84 114.38 122.35 3gqm h ARG 249 Ca 0.22 -0.37 0.09 0.00 -1.10 0.00 0.00 59.98 58.82 3gqm h ARG 249 Cb -0.02 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.43 3gqm h ARG 249 CO -0.04 1.04 0.42 0.37 2.80 0.00 0.00 179.97 184.57 3gqm h GLN 250 N 0.88 0.71 0.13 0.20 5.75 -1.84 -0.80 115.11 120.13 3gqm h GLN 250 Ca 0.14 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3gqm h GLN 250 Cb 0.68 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 3gqm h GLN 250 CO 0.05 0.47 -0.16 0.35 -2.65 0.00 0.00 178.83 176.88 3gqm h PHE 251 N 0.73 -0.42 -0.74 3.99 3.57 -1.14 0.08 116.94 122.99 3gqm h PHE 251 Ca 0.37 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3gqm h PHE 251 Cb 0.33 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 3gqm h PHE 251 CO -0.08 -0.24 0.48 1.96 -2.23 0.00 0.00 178.31 178.20 3gqm h GLN 252 N -0.34 0.98 -0.50 1.11 4.20 -0.87 0.12 115.11 119.81 3gqm h GLN 252 Ca 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3gqm h GLN 252 Cb 0.34 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3gqm h GLN 252 CO -0.06 0.66 0.23 0.00 -0.67 0.00 0.00 178.83 178.99 3gqm h ARG 253 N 1.01 0.73 -0.08 1.46 3.08 -0.75 -0.69 114.38 119.13 3gqm h ARG 253 Ca 0.27 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3gqm h ARG 253 Cb -0.10 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 3gqm h ARG 253 CO -0.06 0.61 0.03 -0.91 -1.07 0.00 0.00 179.97 178.57 3gqm h ASN 254 N 0.67 0.11 -0.39 7.04 2.35 -0.37 -0.58 115.58 124.40 3gqm h ASN 254 Ca 0.17 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3gqm h ASN 254 Cb 0.13 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3gqm h ASN 254 CO -0.02 0.26 0.23 0.00 -1.65 0.00 0.00 177.43 176.26 3gqm h ALA 255 N 0.85 0.49 -0.21 -0.83 0.00 -0.74 -1.85 119.26 116.98 3gqm h ALA 255 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3gqm h ALA 255 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gqm h ALA 255 CO -0.00 -0.10 -0.48 -0.56 0.00 0.00 0.00 179.25 178.12 3gqm h GLN 256 N 0.48 0.55 -0.17 0.00 -0.00 -1.05 0.11 115.11 115.03 3gqm h GLN 256 Ca 0.15 -0.31 0.04 0.00 -0.00 0.00 0.00 58.65 58.54 3gqm h GLN 256 Cb -0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 27.48 27.45 3gqm h GLN 256 CO -0.07 0.91 -0.13 -0.92 -0.00 0.00 0.00 178.83 178.62 3gqm h TYR 257 N 0.44 -0.33 -0.29 0.06 3.20 -0.82 -1.27 116.97 117.97 3gqm h TYR 257 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3gqm h TYR 257 Cb 1.00 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 3gqm h TYR 257 CO 0.04 -0.19 0.11 0.28 -1.64 0.00 0.00 178.16 176.76 3gqm h VAL 258 N -0.14 1.18 -0.39 1.81 2.07 -1.13 -3.01 116.25 116.64 3gqm h VAL 258 Ca 0.10 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3gqm h VAL 258 Cb 0.29 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3gqm h VAL 258 CO -0.25 0.19 0.26 0.00 0.02 0.00 0.00 177.57 177.79 3gqm h ALA 259 N 0.96 1.91 -0.51 1.67 0.00 -0.54 -2.66 119.26 120.10 3gqm h ALA 259 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gqm h ALA 259 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gqm h ALA 259 CO -0.01 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3gqm n GLY 260 N -1.51 2.35 0.00 0.00 0.00 -0.50 -4.85 105.19 100.67 3gqm n GLY 260 Ca 0.04 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.47 3gqm n GLY 260 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36