#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixe s SER -3 N 0.00 5.49 0.26 1.61 0.01 -1.26 -5.09 113.70 114.72 3ixe s SER -3 Ca 0.00 0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.04 3ixe s SER -3 Cb 0.00 -1.89 -0.09 0.00 0.21 0.00 0.00 66.02 64.24 3ixe s SER -3 CO 0.00 0.20 1.18 -2.16 0.41 0.00 0.00 173.24 172.87 3ixe s PRO -2 N 0.19 4.53 -0.44 12.44 0.04 -1.26 -5.02 135.00 145.48 3ixe s PRO -2 Ca 0.03 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 3ixe s PRO -2 Cb -0.13 -3.18 0.12 0.00 0.04 0.00 0.00 34.50 31.35 3ixe s PRO -2 CO 0.01 0.02 0.24 -2.00 0.04 0.00 0.00 177.00 175.31 3ixe s GLU -1 N -1.07 2.10 0.35 4.56 2.12 -1.26 -5.09 118.70 120.40 3ixe s GLU -1 Ca 0.48 -1.90 -0.28 0.00 0.36 0.00 0.00 54.97 53.64 3ixe s GLU -1 Cb -0.34 -3.63 -0.10 0.00 0.26 0.00 0.00 34.13 30.33 3ixe s GLU -1 CO 0.42 -1.09 1.31 -0.06 -0.54 0.00 0.00 175.26 175.29 3ixe s PHE 0 N 1.02 2.99 0.15 5.30 0.08 -1.26 -5.03 117.98 121.23 3ixe s PHE 0 Ca 0.09 1.41 0.08 0.00 0.12 0.00 0.00 56.93 58.63 3ixe s PHE 0 Cb -0.23 -3.69 -0.04 0.00 -0.57 0.00 0.00 43.02 38.49 3ixe s PHE 0 CO -0.04 -1.93 -0.18 -1.64 -0.10 0.00 0.00 175.22 171.33 3ixe s MET 1 N -1.89 1.22 0.11 0.44 -1.94 -1.26 -5.12 119.30 110.86 3ixe s MET 1 Ca 0.50 -1.36 -0.30 0.00 -1.71 0.00 0.00 55.69 52.83 3ixe s MET 1 Cb -0.40 -1.27 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 3ixe s MET 1 CO 0.52 0.26 1.08 -0.51 -0.01 0.00 0.00 175.02 176.37 3ixe s ASP 2 N -2.55 7.27 0.03 3.03 1.01 -1.26 -5.03 116.67 119.17 3ixe s ASP 2 Ca 0.14 1.96 -0.17 0.00 0.71 0.00 0.00 52.55 55.18 3ixe s ASP 2 Cb -0.06 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.22 3ixe s ASP 2 CO 0.06 -0.27 0.49 1.51 0.21 0.00 0.00 175.17 177.17 3ixe s ASP 3 N 0.39 6.93 0.36 0.27 -4.77 -1.26 -4.98 116.67 113.61 3ixe s ASP 3 Ca 0.52 1.10 0.06 0.00 -3.30 0.00 0.00 52.55 50.93 3ixe s ASP 3 Cb -0.27 -2.31 0.73 0.00 -1.09 0.00 0.00 42.92 39.98 3ixe s ASP 3 CO 0.31 0.28 1.96 -0.29 0.70 0.00 0.00 175.17 178.14 3ixe h ILE 4 N 3.69 1.03 -0.44 2.11 6.09 -1.97 -2.68 117.51 125.34 3ixe h ILE 4 Ca -0.50 -0.26 -0.08 0.00 -1.37 0.00 0.00 64.86 62.65 3ixe h ILE 4 Cb 1.21 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 3ixe h ILE 4 CO 0.63 0.14 -0.02 -0.26 -3.07 0.00 0.00 178.15 175.57 3ixe h PHE 5 N 0.77 0.88 -0.56 2.19 0.04 -1.96 -0.28 116.94 118.02 3ixe h PHE 5 Ca 0.31 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 3ixe h PHE 5 Cb 0.24 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3ixe h PHE 5 CO -0.00 0.86 0.23 1.15 -0.60 0.00 0.00 178.31 179.95 3ixe h THR 6 N 0.64 1.22 -0.29 -1.55 2.02 -1.94 -1.07 112.91 111.94 3ixe h THR 6 Ca 0.12 -0.66 -0.07 0.00 0.77 0.00 0.00 66.41 66.57 3ixe h THR 6 Cb 0.53 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3ixe h THR 6 CO 0.03 0.26 -0.11 1.56 0.37 0.00 0.00 175.52 177.63 3ixe h GLN 7 N 0.76 0.48 -0.16 6.66 1.08 -1.14 -0.37 115.11 122.42 3ixe h GLN 7 Ca 0.19 -0.13 -0.18 0.00 -1.45 0.00 0.00 58.65 57.08 3ixe h GLN 7 Cb 0.18 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3ixe h GLN 7 CO -0.02 0.60 -0.59 0.00 -0.95 0.00 0.00 178.83 177.86 3ixe h ARG 9 N 0.38 0.62 0.00 0.00 3.08 -0.89 -2.81 114.38 114.76 3ixe h ARG 9 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3ixe h ARG 9 Cb 1.22 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3ixe h ARG 9 CO 0.13 0.41 -0.34 0.93 -1.07 0.00 0.00 179.97 180.03 3ixe h GLU 10 N 0.64 0.00 -2.56 0.04 5.08 -1.02 -3.46 114.58 113.30 3ixe h GLU 10 Ca 0.29 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.44 3ixe h GLU 10 Cb 0.19 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.47 3ixe h GLU 10 CO -0.18 0.00 -0.31 0.41 -1.00 0.00 0.00 179.01 177.92 3ixe n GLY 11 N 1.29 0.07 3.52 -3.84 0.00 0.38 -4.96 105.19 101.65 3ixe n GLY 11 Ca 0.04 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3ixe n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ixe s ASN 12 N -2.86 6.46 0.24 1.61 0.01 -0.44 -4.90 114.94 115.07 3ixe s ASN 12 Ca 0.16 -1.43 -0.06 0.00 -0.71 0.00 0.00 52.86 50.82 3ixe s ASN 12 Cb -0.07 -2.52 0.25 0.00 0.41 0.00 0.00 41.25 39.32 3ixe s ASN 12 CO 0.20 -1.44 1.86 0.00 -1.51 0.00 0.00 177.10 176.20 3ixe h ALA 13 N 9.58 1.18 -0.13 0.60 0.00 -1.93 -1.89 119.26 126.68 3ixe h ALA 13 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ixe h ALA 13 Cb 1.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ixe h ALA 13 CO 1.31 0.65 0.03 0.28 0.00 0.00 0.00 179.25 181.52 3ixe h VAL 14 N 1.20 1.20 -0.69 0.00 2.07 -1.99 0.44 116.25 118.48 3ixe h VAL 14 Ca 0.30 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.25 3ixe h VAL 14 Cb 0.06 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3ixe h VAL 14 CO -0.04 0.18 0.41 0.00 0.02 0.00 0.00 177.57 178.14 3ixe h ALA 15 N 0.83 0.92 -0.46 1.67 0.00 -1.92 0.54 119.26 120.85 3ixe h ALA 15 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ixe h ALA 15 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ixe h ALA 15 CO 0.00 0.13 0.24 0.28 0.00 0.00 0.00 179.25 179.90 3ixe h VAL 16 N 0.77 1.17 -0.57 0.00 2.07 -1.19 -1.83 116.25 116.67 3ixe h VAL 16 Ca 0.30 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3ixe h VAL 16 Cb 0.12 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3ixe h VAL 16 CO -0.15 0.19 0.33 -0.09 0.02 0.00 0.00 177.57 177.87 3ixe h ARG 17 N 0.60 0.79 -0.90 1.57 1.12 -0.30 0.11 114.38 117.37 3ixe h ARG 17 Ca 0.16 -0.08 0.01 0.00 -1.11 0.00 0.00 59.98 58.96 3ixe h ARG 17 Cb 0.09 -0.16 -0.05 0.00 -0.01 0.00 0.00 29.97 29.84 3ixe h ARG 17 CO -0.02 0.58 0.59 -0.07 -3.11 0.00 0.00 179.97 177.94 3ixe h LEU 18 N 0.77 1.02 -0.39 3.80 3.38 -0.65 0.44 115.31 123.68 3ixe h LEU 18 Ca 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3ixe h LEU 18 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ixe h LEU 18 CO -0.04 0.73 0.04 -0.25 0.09 0.00 0.00 178.44 179.01 3ixe h TRP 19 N 1.20 0.71 -0.45 1.13 7.01 -0.91 -2.93 115.95 121.71 3ixe h TRP 19 Ca 0.33 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3ixe h TRP 19 Cb -0.11 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 3ixe h TRP 19 CO -0.00 0.72 0.22 -0.07 -2.79 0.00 0.00 178.44 176.52 3ixe h LEU 20 N 0.50 0.55 -1.96 0.65 3.38 0.01 -2.46 115.31 115.97 3ixe h LEU 20 Ca 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ixe h LEU 20 Cb 0.41 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ixe h LEU 20 CO 0.01 0.47 -0.11 0.44 0.09 0.00 0.00 178.44 179.34 3ixe h ASP 21 N 0.62 0.00 -1.38 -0.43 3.32 -0.75 -3.33 116.42 114.47 3ixe h ASP 21 Ca 0.16 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.73 3ixe h ASP 21 Cb 0.06 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 3ixe h ASP 21 CO -0.02 0.11 1.16 0.21 -1.72 0.00 0.00 179.24 178.97 3ixe s ASN 22 N -6.30 5.80 0.35 6.45 3.84 -0.93 -4.85 114.94 119.31 3ixe s ASN 22 Ca -0.03 -0.70 0.25 0.00 0.21 0.00 0.00 52.86 52.59 3ixe s ASN 22 Cb 0.14 -2.56 1.26 0.00 -0.55 0.00 0.00 41.25 39.54 3ixe s ASN 22 CO 0.60 -2.11 1.76 0.71 -2.79 0.00 0.00 177.10 175.27 3ixe h THR 23 N 6.81 0.00 0.00 -5.21 1.35 -1.83 -1.41 112.91 112.62 3ixe h THR 23 Ca -0.01 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3ixe h THR 23 Cb 1.04 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3ixe h THR 23 CO 1.30 0.00 -0.34 -0.62 -0.25 0.00 0.00 175.52 175.61 3ixe n GLU 24 N -2.38 0.04 -1.79 4.72 1.02 -1.26 -4.85 120.64 116.14 3ixe n GLU 24 Ca -0.01 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 3ixe n GLU 24 Cb 0.10 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 3ixe n GLU 24 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3ixe s ASN 25 N -3.16 6.06 -0.46 1.62 0.02 -0.53 -4.96 114.94 113.53 3ixe s ASN 25 Ca 0.12 2.99 -0.21 0.00 -1.02 0.00 0.00 52.86 54.74 3ixe s ASN 25 Cb 0.17 -2.66 0.03 0.00 0.02 0.00 0.00 41.25 38.81 3ixe s ASN 25 CO 0.64 -1.06 0.66 -0.62 0.02 0.00 0.00 177.10 176.75 3ixe s ASP 26 N -0.34 6.31 0.50 -1.22 -1.08 -1.26 -4.93 116.67 114.65 3ixe s ASP 26 Ca 0.58 -0.45 0.23 0.00 -0.52 0.00 0.00 52.55 52.39 3ixe s ASP 26 Cb -0.45 -2.32 1.30 0.00 -1.46 0.00 0.00 42.92 39.99 3ixe s ASP 26 CO 0.60 -0.83 1.97 -0.07 0.52 0.00 0.00 175.17 177.35 3ixe h LEU 27 N 9.79 0.11 -0.08 -1.34 3.38 -1.95 -2.88 115.31 122.35 3ixe h LEU 27 Ca -0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ixe h LEU 27 Cb 1.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ixe h LEU 27 CO 0.92 0.06 -0.91 0.59 0.09 0.00 0.00 178.44 179.19 3ixe n ASN 28 N -4.40 1.03 -4.72 -0.43 5.03 -1.26 -4.43 115.26 106.08 3ixe n ASN 28 Ca 0.11 -0.97 -0.42 0.00 0.87 0.00 0.00 54.58 54.17 3ixe n ASN 28 Cb 0.60 0.89 -0.03 0.00 -1.02 0.00 0.00 39.78 40.22 3ixe n ASN 28 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3ixe s GLN 29 N -2.96 4.13 0.45 3.52 2.00 -1.09 -4.72 119.66 120.98 3ixe s GLN 29 Ca 0.09 2.60 -0.02 0.00 -2.00 0.00 0.00 55.36 56.03 3ixe s GLN 29 Cb 0.16 -3.07 -0.02 0.00 0.80 0.00 0.00 33.01 30.88 3ixe s GLN 29 CO 0.83 -0.74 0.70 0.20 -0.50 0.00 0.00 175.29 175.78 3ixe s GLY 30 N 1.13 1.49 0.00 2.59 0.00 -1.26 -4.30 107.32 106.97 3ixe s GLY 30 Ca 0.74 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.63 3ixe s GLY 30 CO 0.33 -0.67 0.00 2.09 0.00 0.00 0.00 173.10 174.85 3ixe n ASP 31 N -2.12 -0.07 0.12 1.64 5.68 0.10 -4.72 116.55 117.18 3ixe n ASP 31 Ca -0.00 -0.32 0.16 0.00 -0.50 0.00 0.00 54.79 54.13 3ixe n ASP 31 Cb 0.57 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.24 3ixe n ASP 31 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3ixe h ASP 32 N -0.07 0.00 -0.51 -1.12 2.03 -2.00 -0.42 116.42 114.33 3ixe h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ixe h ASP 32 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3ixe h ASP 32 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 179.24 179.62 3ixe n HIS 33 N -4.34 1.28 -0.98 4.15 8.25 -1.26 -4.96 115.22 117.36 3ixe n HIS 33 Ca 0.04 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 3ixe n HIS 33 Cb 0.39 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.24 3ixe n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ixe n GLY 34 N 0.62 0.43 3.65 -1.41 0.00 -0.17 -1.52 105.19 106.80 3ixe n GLY 34 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3ixe n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixe s PHE 35 N -1.98 2.64 0.81 1.61 0.08 -1.26 -3.79 117.98 116.08 3ixe s PHE 35 Ca 0.00 0.83 -0.12 0.00 0.12 0.00 0.00 56.93 57.77 3ixe s PHE 35 Cb 0.00 -3.65 0.08 0.00 -0.57 0.00 0.00 43.02 38.87 3ixe s PHE 35 CO 0.00 -2.11 1.14 -1.54 -0.10 0.00 0.00 175.22 172.61 3ixe s SER 36 N 2.45 4.48 0.23 1.36 1.04 -1.26 -0.72 113.70 121.27 3ixe s SER 36 Ca 0.59 0.96 -0.08 0.00 0.48 0.00 0.00 55.95 57.90 3ixe s SER 36 Cb -0.23 -1.56 0.38 0.00 0.10 0.00 0.00 66.02 64.71 3ixe s SER 36 CO 0.19 -1.94 1.68 -0.65 0.98 0.00 0.00 173.24 173.50 3ixe h PRO 37 N -1.07 0.21 -0.77 4.02 0.11 -1.77 -1.99 132.00 130.74 3ixe h PRO 37 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ixe h PRO 37 Cb 1.31 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3ixe h PRO 37 CO 0.64 0.14 0.43 1.25 -0.21 0.00 0.00 178.00 180.25 3ixe h LEU 38 N 0.22 0.95 -0.20 2.35 5.85 -1.93 -1.52 115.31 121.02 3ixe h LEU 38 Ca 0.37 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3ixe h LEU 38 Cb 0.61 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3ixe h LEU 38 CO -0.50 0.76 -0.04 0.45 -0.34 0.00 0.00 178.44 178.76 3ixe h HIS 39 N 1.07 -0.10 -0.29 1.25 3.86 -1.73 -1.28 115.15 117.94 3ixe h HIS 39 Ca 0.27 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 3ixe h HIS 39 Cb 0.01 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3ixe h HIS 39 CO 0.01 -0.08 -0.16 -1.49 0.86 0.00 0.00 177.93 177.07 3ixe h TRP 40 N 0.01 0.71 -0.87 2.45 -0.00 -1.12 0.07 115.95 117.21 3ixe h TRP 40 Ca 0.10 -0.18 0.02 0.00 -0.00 0.00 0.00 58.89 58.83 3ixe h TRP 40 Cb 0.15 -0.16 -0.05 0.00 -0.00 0.00 0.00 29.16 29.10 3ixe h TRP 40 CO -0.22 0.86 0.57 0.00 -0.00 0.00 0.00 178.44 179.65 3ixe h ALA 41 N 0.74 1.12 -0.18 1.49 0.00 -1.21 -1.47 119.26 119.75 3ixe h ALA 41 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ixe h ALA 41 Cb 0.68 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ixe h ALA 41 CO 0.05 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 3ixe h ARG 43 N 0.09 1.01 -0.43 0.00 2.43 -0.79 -2.95 114.38 113.74 3ixe h ARG 43 Ca 0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3ixe h ARG 43 Cb 0.68 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3ixe h ARG 43 CO 0.04 0.67 0.00 0.39 -1.51 0.00 0.00 179.97 179.56 3ixe n GLU 44 N -4.58 2.25 -2.30 0.20 -0.58 -0.57 -4.89 120.64 110.17 3ixe n GLU 44 Ca 0.13 -1.91 -0.10 0.00 -0.42 0.00 0.00 57.16 54.85 3ixe n GLU 44 Cb 0.16 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3ixe n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ixe n GLY 45 N 1.38 -0.01 3.39 0.62 0.00 -1.02 -4.95 105.19 104.59 3ixe n GLY 45 Ca 0.18 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 3ixe n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixe n ARG 46 N -2.06 3.43 -0.17 1.61 5.12 -0.17 -4.87 116.66 119.54 3ixe n ARG 46 Ca -0.10 -3.88 -0.02 0.00 -1.93 0.00 0.00 57.85 51.92 3ixe n ARG 46 Cb 0.58 -2.98 0.08 0.00 -1.16 0.00 0.00 32.46 28.98 3ixe n ARG 46 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3ixe h SER 47 N 6.92 0.00 -0.37 0.55 0.02 -1.93 -1.03 113.55 117.72 3ixe h SER 47 Ca 0.31 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 3ixe h SER 47 Cb 0.84 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3ixe h SER 47 CO 1.27 0.03 0.20 0.00 -1.14 0.00 0.00 176.83 177.18 3ixe h ALA 48 N 1.41 0.47 -0.68 3.77 0.00 -1.97 -2.05 119.26 120.22 3ixe h ALA 48 Ca 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ixe h ALA 48 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ixe h ALA 48 CO -0.35 0.01 0.16 0.28 0.00 0.00 0.00 179.25 179.35 3ixe h VAL 49 N 0.46 1.26 -0.16 0.00 2.07 -1.79 -1.39 116.25 116.71 3ixe h VAL 49 Ca 0.13 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.74 3ixe h VAL 49 Cb 0.07 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 3ixe h VAL 49 CO -0.02 0.37 -0.23 0.58 0.02 0.00 0.00 177.57 178.29 3ixe h VAL 50 N 1.01 0.43 -0.50 2.57 2.07 -0.95 -1.17 116.25 119.72 3ixe h VAL 50 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 3ixe h VAL 50 Cb 0.37 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ixe h VAL 50 CO 0.00 0.00 0.30 -0.08 0.02 0.00 0.00 177.57 177.81 3ixe h GLU 51 N -0.28 0.69 -0.61 1.57 4.81 -1.13 -0.97 114.58 118.66 3ixe h GLU 51 Ca 0.11 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3ixe h GLU 51 Cb 0.44 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 3ixe h GLU 51 CO -0.32 0.51 0.21 0.52 -0.73 0.00 0.00 179.01 179.20 3ixe h MET 52 N 0.67 0.36 -0.14 1.92 2.86 -0.91 0.78 114.93 120.46 3ixe h MET 52 Ca 0.18 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3ixe h MET 52 Cb 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3ixe h MET 52 CO -0.03 0.24 -0.01 -0.07 1.06 0.00 0.00 176.91 178.10 3ixe h LEU 53 N 0.37 0.25 -0.53 1.22 3.38 -0.88 -2.83 115.31 116.31 3ixe h LEU 53 Ca 0.31 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3ixe h LEU 53 Cb 0.40 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3ixe h LEU 53 CO -0.33 0.51 0.21 0.40 0.09 0.00 0.00 178.44 179.33 3ixe h ILE 54 N -0.01 0.85 0.00 1.22 2.04 -0.84 -2.28 117.51 118.50 3ixe h ILE 54 Ca 0.04 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3ixe h ILE 54 Cb 0.39 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ixe h ILE 54 CO 0.01 0.07 -0.15 0.24 0.00 0.00 0.00 178.15 178.33 3ixe h MET 55 N 0.41 0.00 -0.01 2.37 2.86 -0.78 0.30 114.93 120.08 3ixe h MET 55 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3ixe h MET 55 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3ixe h MET 55 CO -0.23 0.15 -0.06 0.54 1.06 0.00 0.00 176.91 178.36 3ixe n ARG 56 N -3.65 1.08 -0.22 1.72 5.12 -0.99 -4.93 116.66 114.79 3ixe n ARG 56 Ca -0.02 -0.42 0.00 0.00 -1.93 0.00 0.00 57.85 55.48 3ixe n ARG 56 Cb 0.27 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 3ixe n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ixe n GLY 57 N 1.18 1.10 3.72 -0.13 0.00 0.09 -5.06 105.19 106.10 3ixe n GLY 57 Ca 0.18 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ixe n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixe n ALA 58 N -1.36 1.87 -2.08 4.61 0.00 -0.89 -4.90 120.51 117.75 3ixe n ALA 58 Ca 0.00 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 3ixe n ALA 58 Cb 0.02 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 3ixe n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ixe s ARG 59 N -1.11 4.25 0.20 0.00 0.52 -1.26 -4.77 118.95 116.78 3ixe s ARG 59 Ca 0.61 2.15 0.06 0.00 -0.52 0.00 0.00 55.73 58.03 3ixe s ARG 59 Cb -0.55 -3.50 0.12 0.00 0.52 0.00 0.00 34.95 31.54 3ixe s ARG 59 CO 0.55 -0.62 1.47 0.82 0.02 0.00 0.00 175.30 177.54 3ixe h ILE 60 N 4.71 1.49 -0.65 1.52 1.08 -1.92 -3.26 117.51 120.47 3ixe h ILE 60 Ca -0.41 -2.48 -0.19 0.00 -0.39 0.00 0.00 64.86 61.39 3ixe h ILE 60 Cb 1.19 2.34 -0.12 0.00 -3.07 0.00 0.00 36.82 37.17 3ixe h ILE 60 CO 0.91 0.72 0.22 0.59 -0.69 0.00 0.00 178.15 179.89 3ixe n ASN 61 N -3.69 4.50 -4.69 1.72 3.02 -1.26 -4.32 115.26 110.53 3ixe n ASN 61 Ca -0.02 -3.26 -0.39 0.00 -0.03 0.00 0.00 54.58 50.88 3ixe n ASN 61 Cb 0.74 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3ixe n ASN 61 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ixe n VAL 62 N -0.31 3.51 -5.06 2.41 0.24 -1.23 -4.88 118.33 113.01 3ixe n VAL 62 Ca 0.38 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.86 3ixe n VAL 62 Cb 1.31 -1.46 -0.14 0.00 -1.47 0.00 0.00 33.84 32.07 3ixe n VAL 62 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3ixe s MET 63 N -2.68 2.44 0.00 7.34 -1.94 -1.26 -4.06 119.30 119.14 3ixe s MET 63 Ca 0.71 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 3ixe s MET 63 Cb -0.44 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.13 3ixe s MET 63 CO 0.50 0.55 0.00 0.27 -0.01 0.00 0.00 175.02 176.33 3ixe n ASN 64 N 2.50 0.00 0.25 3.03 0.23 -0.51 -4.84 115.26 115.92 3ixe n ASN 64 Ca -0.17 -0.99 0.10 0.00 -0.53 0.00 0.00 54.58 52.99 3ixe n ASN 64 Cb 0.52 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.89 3ixe n ASN 64 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3ixe h ARG 65 N 0.00 0.00 -0.30 -3.83 2.43 -1.50 0.68 114.38 111.86 3ixe h ARG 65 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ixe h ARG 65 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3ixe h ARG 65 CO 0.00 0.12 0.00 0.41 -1.51 0.00 0.00 179.97 178.99 3ixe n GLY 66 N -0.96 0.68 2.47 2.80 0.00 -1.26 -4.93 105.19 103.99 3ixe n GLY 66 Ca -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 3ixe n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ixe n ASP 67 N 0.57 -5.04 -4.76 1.61 9.92 0.23 -1.43 116.55 117.66 3ixe n ASP 67 Ca 0.15 0.36 -0.39 0.00 -0.53 0.00 0.00 54.79 54.38 3ixe n ASP 67 Cb 0.35 -4.04 -0.04 0.00 -0.64 0.00 0.00 41.12 36.75 3ixe n ASP 67 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3ixe s ASP 68 N -2.75 7.14 0.39 -2.24 1.01 -1.26 -3.96 116.67 115.00 3ixe s ASP 68 Ca 0.00 2.23 0.04 0.00 0.71 0.00 0.00 52.55 55.53 3ixe s ASP 68 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3ixe s ASP 68 CO 0.00 -0.23 0.56 0.42 0.21 0.00 0.00 175.17 176.13 3ixe s THR 69 N -1.27 3.94 0.38 -1.27 -4.23 -1.26 -1.42 115.64 110.50 3ixe s THR 69 Ca 0.48 -0.80 0.14 0.00 -1.18 0.00 0.00 61.69 60.33 3ixe s THR 69 Cb -0.30 -3.40 0.36 0.00 1.34 0.00 0.00 72.50 70.50 3ixe s THR 69 CO 0.38 -0.21 1.79 -0.65 -0.54 0.00 0.00 174.62 175.40 3ixe h PRO 70 N 0.66 0.49 -0.70 3.99 0.11 -1.75 -2.09 132.00 132.71 3ixe h PRO 70 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3ixe h PRO 70 Cb 1.26 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3ixe h PRO 70 CO 0.54 0.32 0.17 1.25 -0.21 0.00 0.00 178.00 180.07 3ixe h LEU 71 N 0.51 1.07 -0.48 2.35 5.85 -1.94 -0.48 115.31 122.18 3ixe h LEU 71 Ca 0.56 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 59.14 3ixe h LEU 71 Cb 1.24 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 3ixe h LEU 71 CO -0.29 1.03 -0.06 0.45 -0.34 0.00 0.00 178.44 179.23 3ixe h HIS 72 N 1.07 -0.15 -0.19 1.25 3.86 -1.74 -1.29 115.15 117.97 3ixe h HIS 72 Ca 0.22 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.37 3ixe h HIS 72 Cb 0.38 0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 3ixe h HIS 72 CO 0.03 -0.16 -0.26 -0.07 0.86 0.00 0.00 177.93 178.33 3ixe h LEU 73 N 0.05 0.55 -0.87 2.43 3.38 -1.32 -0.48 115.31 119.05 3ixe h LEU 73 Ca 0.24 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3ixe h LEU 73 Cb 0.36 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3ixe h LEU 73 CO -0.45 0.96 0.48 0.00 0.09 0.00 0.00 178.44 179.52 3ixe h ALA 74 N 0.61 1.12 -0.29 1.53 0.00 -1.03 -1.41 119.26 119.79 3ixe h ALA 74 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ixe h ALA 74 Cb 0.83 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ixe h ALA 74 CO 0.06 0.62 -0.29 0.00 0.00 0.00 0.00 179.25 179.64 3ixe h ALA 75 N 1.26 0.43 -0.79 0.00 0.00 -1.18 -0.48 119.26 118.50 3ixe h ALA 75 Ca 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ixe h ALA 75 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ixe h ALA 75 CO -0.05 0.45 0.43 1.03 0.00 0.00 0.00 179.25 181.10 3ixe h SER 76 N 0.45 0.99 -0.48 0.00 0.87 -0.87 -2.50 113.55 112.01 3ixe h SER 76 Ca 0.05 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3ixe h SER 76 Cb 0.86 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3ixe h SER 76 CO 0.07 0.80 0.00 1.41 -0.53 0.00 0.00 176.83 178.59 3ixe n HIS 77 N -4.42 0.64 -2.65 2.24 8.25 -0.55 -4.83 115.22 113.90 3ixe n HIS 77 Ca 0.07 -0.32 -0.16 0.00 -0.26 0.00 0.00 57.72 57.05 3ixe n HIS 77 Cb 0.10 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.22 3ixe n HIS 77 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ixe n GLY 78 N 1.35 -0.23 3.46 -1.41 0.00 -0.68 -4.94 105.19 102.73 3ixe n GLY 78 Ca 0.18 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 3ixe n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ixe s HIS 79 N -2.94 3.21 0.18 1.61 4.02 -0.28 -4.88 115.29 116.22 3ixe s HIS 79 Ca 0.15 -1.60 -0.12 0.00 1.02 0.00 0.00 55.06 54.52 3ixe s HIS 79 Cb -0.07 -4.30 0.10 0.00 -1.02 0.00 0.00 32.58 27.29 3ixe s HIS 79 CO 0.19 -1.47 1.80 -0.09 1.02 0.00 0.00 174.74 176.18 3ixe h ARG 80 N 8.36 0.88 -0.71 1.40 2.43 -1.92 -0.72 114.38 124.10 3ixe h ARG 80 Ca 0.21 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3ixe h ARG 80 Cb 0.98 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3ixe h ARG 80 CO 1.15 0.67 0.46 0.38 -1.51 0.00 0.00 179.97 181.13 3ixe h ASP 81 N 0.86 0.79 -0.37 -3.80 2.03 -1.98 -1.09 116.42 112.85 3ixe h ASP 81 Ca 0.22 -0.01 -0.16 0.00 -0.73 0.00 0.00 57.03 56.35 3ixe h ASP 81 Cb 0.05 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.35 3ixe h ASP 81 CO -0.04 0.56 -0.38 0.40 -1.03 0.00 0.00 179.24 178.76 3ixe h ILE 82 N 0.93 1.27 -0.35 4.15 2.04 -1.85 -1.01 117.51 122.69 3ixe h ILE 82 Ca 0.27 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.64 3ixe h ILE 82 Cb -0.07 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3ixe h ILE 82 CO -0.07 0.52 0.00 0.58 0.00 0.00 0.00 178.15 179.18 3ixe h VAL 83 N 0.73 0.75 -0.64 1.67 2.07 -0.83 0.06 116.25 120.06 3ixe h VAL 83 Ca 0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3ixe h VAL 83 Cb 0.97 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3ixe h VAL 83 CO 0.09 0.02 0.24 1.56 0.02 0.00 0.00 177.57 179.51 3ixe h GLN 84 N 0.10 0.96 -0.34 1.57 4.20 -0.99 -0.97 115.11 119.63 3ixe h GLN 84 Ca 0.17 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3ixe h GLN 84 Cb 0.23 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3ixe h GLN 84 CO -0.28 0.82 0.18 -0.22 -0.67 0.00 0.00 178.83 178.66 3ixe h LYS 85 N 0.90 0.36 -0.53 1.46 1.63 -0.87 -0.61 116.57 118.91 3ixe h LYS 85 Ca 0.21 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3ixe h LYS 85 Cb 0.22 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 3ixe h LYS 85 CO -0.02 0.24 0.30 -0.07 -3.45 0.00 0.00 179.45 176.45 3ixe h LEU 86 N 0.37 0.66 -0.62 5.20 3.38 -0.64 -1.78 115.31 121.87 3ixe h LEU 86 Ca 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ixe h LEU 86 Cb 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3ixe h LEU 86 CO -0.09 0.55 0.32 -0.07 0.09 0.00 0.00 178.44 179.24 3ixe h LEU 87 N 0.71 0.79 -1.49 1.67 3.38 -0.98 -0.27 115.31 119.13 3ixe h LEU 87 Ca 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ixe h LEU 87 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ixe h LEU 87 CO -0.03 0.68 -0.09 -0.61 0.09 0.00 0.00 178.44 178.48 3ixe h GLN 88 N 0.84 0.22 -0.94 1.13 4.15 -0.75 -1.31 115.11 118.46 3ixe h GLN 88 Ca 0.22 -0.04 -0.34 0.00 0.77 0.00 0.00 58.65 59.26 3ixe h GLN 88 Cb 0.08 -0.03 -0.20 0.00 0.21 0.00 0.00 27.48 27.54 3ixe h GLN 88 CO -0.03 0.32 0.43 0.66 -1.93 0.00 0.00 178.83 178.28 3ixe n TYR 89 N -4.32 2.31 -3.29 3.99 4.02 -0.70 -4.92 117.16 114.24 3ixe n TYR 89 Ca -0.01 -1.39 -0.17 0.00 -0.01 0.00 0.00 57.90 56.32 3ixe n TYR 89 Cb 0.23 -0.74 0.06 0.00 -0.02 0.00 0.00 39.34 38.88 3ixe n TYR 89 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3ixe n LYS 90 N -0.57 -5.83 -1.75 -0.72 5.02 -0.49 -4.96 118.16 108.86 3ixe n LYS 90 Ca 0.43 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.93 3ixe n LYS 90 Cb 1.36 -5.00 0.01 0.00 -0.02 0.00 0.00 35.03 31.38 3ixe n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ixe n ALA 91 N -4.28 1.93 -1.99 7.82 0.00 -0.14 -4.91 120.51 118.95 3ixe n ALA 91 Ca -0.01 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 3ixe n ALA 91 Cb 0.55 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 3ixe n ALA 91 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ixe s ASP 92 N -0.37 5.51 0.48 0.00 -1.08 -1.26 -4.83 116.67 115.11 3ixe s ASP 92 Ca 0.58 0.86 0.26 0.00 -0.52 0.00 0.00 52.55 53.74 3ixe s ASP 92 Cb -0.48 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 39.56 3ixe s ASP 92 CO 0.60 -2.09 1.90 -0.29 0.52 0.00 0.00 175.17 175.81 3ixe h ILE 93 N 6.91 0.46 -0.37 4.11 2.10 -1.94 -2.90 117.51 125.87 3ixe h ILE 93 Ca -0.29 -0.91 -0.18 0.00 1.08 0.00 0.00 64.86 64.56 3ixe h ILE 93 Cb 1.17 1.65 -0.10 0.00 -1.09 0.00 0.00 36.82 38.44 3ixe h ILE 93 CO 1.12 0.16 -0.05 0.59 -1.08 0.00 0.00 178.15 178.90 3ixe n ASN 94 N -3.37 2.65 -4.74 2.19 3.02 -1.26 -4.44 115.26 109.31 3ixe n ASN 94 Ca -0.00 -3.70 -0.42 0.00 -0.03 0.00 0.00 54.58 50.43 3ixe n ASN 94 Cb 0.37 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3ixe n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ixe s ALA 95 N -3.21 3.69 -0.13 5.41 0.00 -1.10 -4.92 121.76 121.50 3ixe s ALA 95 Ca 0.45 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.73 3ixe s ALA 95 Cb 0.40 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3ixe s ALA 95 CO 0.01 -0.78 0.01 0.14 0.00 0.00 0.00 175.76 175.14 3ixe s VAL 96 N 0.37 4.32 0.05 0.00 -7.23 -1.26 -4.13 120.40 112.52 3ixe s VAL 96 Ca 0.63 -0.22 -0.00 0.00 -1.81 0.00 0.00 61.98 60.57 3ixe s VAL 96 Cb -0.43 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.66 3ixe s VAL 96 CO 0.40 0.54 0.06 -0.46 -0.31 0.00 0.00 175.10 175.34 3ixe n ASN 97 N 2.82 0.06 0.29 4.85 0.23 -0.53 -4.87 115.26 118.11 3ixe n ASN 97 Ca -0.18 -1.05 0.19 0.00 -0.53 0.00 0.00 54.58 53.01 3ixe n ASN 97 Cb 0.53 -0.04 0.92 0.00 -2.08 0.00 0.00 39.78 39.11 3ixe n ASN 97 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3ixe h GLU 98 N 0.00 0.00 -0.22 -3.83 4.11 -1.48 -0.70 114.58 112.46 3ixe h GLU 98 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3ixe h GLU 98 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ixe h GLU 98 CO 0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.82 3ixe n HIS 99 N -2.95 0.26 -1.03 2.06 8.25 -1.26 -4.93 115.22 115.63 3ixe n HIS 99 Ca -0.01 -0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.31 3ixe n HIS 99 Cb 0.16 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.27 3ixe n HIS 99 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ixe n GLY 100 N 1.38 0.47 3.74 -1.41 0.00 -0.27 -0.40 105.19 108.71 3ixe n GLY 100 Ca 0.17 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3ixe n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ixe s ASN 101 N -2.23 7.59 0.35 1.61 0.01 -1.26 -4.05 114.94 116.96 3ixe s ASN 101 Ca 0.00 1.89 0.07 0.00 -0.71 0.00 0.00 52.86 54.11 3ixe s ASN 101 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3ixe s ASN 101 CO 0.00 0.07 0.47 0.68 -1.51 0.00 0.00 177.10 176.81 3ixe s VAL 102 N -0.72 3.77 0.43 1.60 -7.23 -1.26 -1.45 120.40 115.54 3ixe s VAL 102 Ca 0.43 -1.04 0.17 0.00 -1.81 0.00 0.00 61.98 59.73 3ixe s VAL 102 Cb -0.25 -3.30 0.37 0.00 0.56 0.00 0.00 36.38 33.76 3ixe s VAL 102 CO 0.31 -0.12 1.90 -0.65 -0.31 0.00 0.00 175.10 176.23 3ixe h PRO 103 N 0.88 0.37 -0.49 4.82 0.11 -1.78 -1.62 132.00 134.30 3ixe h PRO 103 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ixe h PRO 103 Cb 1.26 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3ixe h PRO 103 CO 0.52 0.24 0.22 1.25 -0.21 0.00 0.00 178.00 180.02 3ixe h LEU 104 N 0.38 0.61 -0.62 2.35 5.85 -1.94 -2.05 115.31 119.89 3ixe h LEU 104 Ca 0.39 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.18 3ixe h LEU 104 Cb 0.97 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 3ixe h LEU 104 CO -0.12 0.54 0.00 0.45 -0.34 0.00 0.00 178.44 178.97 3ixe h HIS 105 N 0.68 -0.04 -0.06 1.25 3.86 -1.56 0.11 115.15 119.39 3ixe h HIS 105 Ca 0.17 0.05 -0.23 0.00 -1.16 0.00 0.00 60.37 59.20 3ixe h HIS 105 Cb 0.10 0.11 0.02 0.00 1.06 0.00 0.00 27.41 28.70 3ixe h HIS 105 CO 0.01 -0.16 -0.84 1.88 0.86 0.00 0.00 177.93 179.67 3ixe h TYR 106 N 0.12 0.96 -0.77 2.45 0.05 -1.48 0.75 116.97 119.05 3ixe h TYR 106 Ca 0.32 -0.48 0.07 0.00 0.05 0.00 0.00 58.73 58.70 3ixe h TYR 106 Cb 0.52 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.08 3ixe h TYR 106 CO -0.36 1.31 0.44 0.00 -1.05 0.00 0.00 178.16 178.50 3ixe h ALA 107 N 0.44 1.06 0.11 3.88 0.00 -1.19 -1.09 119.26 122.47 3ixe h ALA 107 Ca -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ixe h ALA 107 Cb 1.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ixe h ALA 107 CO 0.17 0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 3ixe h PHE 109 N -0.55 0.99 -0.52 0.00 3.57 -0.68 -1.54 116.94 118.20 3ixe h PHE 109 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ixe h PHE 109 Cb 0.45 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3ixe h PHE 109 CO 0.05 0.36 0.00 0.91 -2.23 0.00 0.00 178.31 177.41 3ixe n TRP 110 N -4.71 0.82 -3.82 0.41 7.02 -0.43 -4.94 117.44 111.79 3ixe n TRP 110 Ca 0.17 -0.38 -0.27 0.00 -1.02 0.00 0.00 57.50 56.00 3ixe n TRP 110 Cb 0.36 -0.05 0.04 0.00 -2.42 0.00 0.00 31.31 29.23 3ixe n TRP 110 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ixe n GLY 111 N 1.25 -0.45 3.22 6.99 0.00 -0.58 -4.89 105.19 110.72 3ixe n GLY 111 Ca 0.18 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 3ixe n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ixe n GLN 112 N -4.62 3.50 -0.08 1.61 1.13 0.39 -4.88 117.38 114.43 3ixe n GLN 112 Ca -0.05 -3.75 -0.07 0.00 -1.94 0.00 0.00 57.00 51.19 3ixe n GLN 112 Cb 0.57 -2.97 0.00 0.00 0.11 0.00 0.00 30.24 27.95 3ixe n GLN 112 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3ixe h ASP 113 N 6.54 0.01 0.37 1.08 5.19 -1.90 -0.28 116.42 127.42 3ixe h ASP 113 Ca 0.34 0.05 -0.17 0.00 -0.62 0.00 0.00 57.03 56.63 3ixe h ASP 113 Cb 0.77 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 3ixe h ASP 113 CO 1.39 0.04 -0.71 1.56 -3.12 0.00 0.00 179.24 178.41 3ixe h GLN 114 N 0.17 0.29 -0.40 3.56 4.20 -1.96 -0.91 115.11 120.06 3ixe h GLN 114 Ca 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3ixe h GLN 114 Cb 0.15 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3ixe h GLN 114 CO -0.19 0.89 0.21 0.28 -0.67 0.00 0.00 178.83 179.34 3ixe h VAL 115 N 0.20 1.17 -0.54 -0.54 2.07 -1.86 0.50 116.25 117.25 3ixe h VAL 115 Ca -0.02 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3ixe h VAL 115 Cb 1.27 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3ixe h VAL 115 CO 0.11 0.18 0.29 0.00 0.02 0.00 0.00 177.57 178.16 3ixe h ALA 116 N 1.06 0.69 -0.47 1.67 0.00 -0.77 -1.00 119.26 120.44 3ixe h ALA 116 Ca 0.14 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ixe h ALA 116 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ixe h ALA 116 CO -0.02 0.22 0.28 0.93 0.00 0.00 0.00 179.25 180.66 3ixe h GLU 117 N 0.72 0.54 -0.86 0.00 5.08 -1.02 -1.63 114.58 117.41 3ixe h GLU 117 Ca 0.19 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3ixe h GLU 117 Cb 0.07 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3ixe h GLU 117 CO -0.03 0.36 0.57 -0.44 -1.00 0.00 0.00 179.01 178.46 3ixe h ASP 118 N 0.55 0.91 0.17 1.42 3.32 -0.37 -0.76 116.42 121.66 3ixe h ASP 118 Ca 0.19 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ixe h ASP 118 Cb 0.02 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3ixe h ASP 118 CO -0.09 0.61 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.89 3ixe h LEU 119 N 1.05 -0.20 -0.87 1.55 3.38 -0.77 -2.87 115.31 116.58 3ixe h LEU 119 Ca 0.35 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3ixe h LEU 119 Cb 0.08 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3ixe h LEU 119 CO -0.11 0.21 0.56 0.58 0.09 0.00 0.00 178.44 179.76 3ixe h VAL 120 N -0.63 1.12 -0.05 1.22 2.07 -1.22 -0.97 116.25 117.79 3ixe h VAL 120 Ca -0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3ixe h VAL 120 Cb 0.47 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ixe h VAL 120 CO 0.04 0.19 0.12 0.00 0.02 0.00 0.00 177.57 177.95 3ixe h ALA 121 N 1.37 1.34 -0.28 1.67 0.00 -1.12 -1.55 119.26 120.70 3ixe h ALA 121 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ixe h ALA 121 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ixe h ALA 121 CO -0.13 -0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.06 3ixe n ASN 122 N -3.31 3.32 0.00 0.00 3.02 -0.60 -4.97 115.26 112.71 3ixe n ASN 122 Ca -0.02 -2.52 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 3ixe n ASN 122 Cb 0.20 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3ixe n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ixe n GLY 123 N -0.09 1.10 3.69 7.41 0.00 -0.58 -4.99 105.19 111.72 3ixe n GLY 123 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ixe n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixe s ALA 124 N -2.00 3.59 0.11 4.61 0.00 -0.47 -4.90 121.76 122.71 3ixe s ALA 124 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 3ixe s ALA 124 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 3ixe s ALA 124 CO 0.00 -0.97 1.23 -0.51 0.00 0.00 0.00 175.76 175.52 3ixe s LEU 125 N 2.55 4.40 0.24 0.00 1.43 -1.26 -4.40 118.68 121.63 3ixe s LEU 125 Ca 0.65 2.14 0.23 0.00 -1.03 0.00 0.00 54.13 56.12 3ixe s LEU 125 Cb -0.32 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.43 3ixe s LEU 125 CO 0.27 -0.47 1.20 -0.37 0.23 0.00 0.00 176.35 177.21 3ixe h VAL 126 N 4.22 0.00 -0.32 -1.59 -1.51 -1.93 -3.38 116.25 111.74 3ixe h VAL 126 Ca -0.43 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 3ixe h VAL 126 Cb 1.21 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 3ixe h VAL 126 CO 0.80 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.94 3ixe n SER 127 N -2.68 3.15 -4.60 4.19 7.64 -1.26 -3.47 113.62 116.59 3ixe n SER 127 Ca 0.01 -2.25 -0.43 0.00 1.01 0.00 0.00 58.87 57.21 3ixe n SER 127 Cb 0.53 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 3ixe n SER 127 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3ixe s ILE 128 N -1.45 4.23 0.41 0.44 2.07 -1.26 -1.24 121.20 124.39 3ixe s ILE 128 Ca 0.27 1.22 -0.26 0.00 -1.41 0.00 0.00 60.65 60.48 3ixe s ILE 128 Cb 0.17 -4.59 -0.09 0.00 0.13 0.00 0.00 42.46 38.08 3ixe s ILE 128 CO 0.14 -0.99 1.29 0.00 -1.91 0.00 0.00 174.94 173.47 3ixe n ASN 130 N 0.08 -0.84 0.11 0.00 0.23 0.75 -4.50 115.26 111.09 3ixe n ASN 130 Ca 0.04 -1.16 0.09 0.00 -0.53 0.00 0.00 54.58 53.02 3ixe n ASN 130 Cb 0.44 -0.72 0.43 0.00 -2.08 0.00 0.00 39.78 37.85 3ixe n ASN 130 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3ixe n LYS 131 N -3.45 0.12 -0.38 -3.83 5.02 0.46 -1.87 118.16 114.23 3ixe n LYS 131 Ca 0.11 0.52 0.08 0.00 -2.02 0.00 0.00 58.31 57.00 3ixe n LYS 131 Cb 0.42 -1.81 0.23 0.00 -0.02 0.00 0.00 35.03 33.85 3ixe n LYS 131 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3ixe n TYR 132 N -2.04 0.75 -0.90 2.13 4.01 -1.26 -4.94 117.16 114.91 3ixe n TYR 132 Ca 0.00 -0.93 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 3ixe n TYR 132 Cb 0.10 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3ixe n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ixe n GLY 133 N -0.73 0.60 3.65 2.72 0.00 -0.78 -5.03 105.19 105.61 3ixe n GLY 133 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3ixe n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixe s GLU 134 N -0.10 4.05 0.51 1.61 2.02 -1.26 -4.79 118.70 120.74 3ixe s GLU 134 Ca 0.00 -0.29 -0.10 0.00 0.02 0.00 0.00 54.97 54.60 3ixe s GLU 134 Cb 0.00 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 3ixe s GLU 134 CO 0.00 0.11 0.89 -1.64 0.02 0.00 0.00 175.26 174.64 3ixe s MET 135 N 0.90 3.69 0.21 1.61 -1.94 -1.26 -0.18 119.30 122.34 3ixe s MET 135 Ca 0.07 0.56 -0.09 0.00 -1.71 0.00 0.00 55.69 54.52 3ixe s MET 135 Cb -0.13 -2.25 0.31 0.00 2.01 0.00 0.00 34.83 34.77 3ixe s MET 135 CO 0.03 -0.29 1.70 -1.35 -0.01 0.00 0.00 175.02 175.11 3ixe h PRO 136 N 0.44 0.25 0.00 2.03 0.11 -1.68 -0.97 132.00 132.17 3ixe h PRO 136 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ixe h PRO 136 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ixe h PRO 136 CO 0.62 0.17 0.00 1.33 -0.21 0.00 0.00 178.00 179.91 3ixe n VAL 137 N -5.13 0.78 0.26 3.15 0.24 -1.23 -1.44 118.33 114.96 3ixe n VAL 137 Ca 0.09 0.13 0.13 0.00 -2.04 0.00 0.00 64.34 62.66 3ixe n VAL 137 Cb 0.33 -1.02 0.73 0.00 -1.47 0.00 0.00 33.84 32.42 3ixe n VAL 137 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3ixe h ASP 138 N 0.00 0.00 0.44 -1.34 3.32 -1.48 -2.84 116.42 114.51 3ixe h ASP 138 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ixe h ASP 138 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3ixe h ASP 138 CO 0.00 0.11 -0.51 0.29 -1.72 0.00 0.00 179.24 177.41 3ixe n LYS 139 N -3.65 0.09 -2.75 3.56 4.76 -0.52 -4.92 118.16 114.73 3ixe n LYS 139 Ca -0.02 -0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.08 3ixe n LYS 139 Cb 0.23 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 3ixe n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ixe s ALA 140 N -2.95 3.37 0.64 7.82 0.00 -1.07 -3.48 121.76 126.09 3ixe s ALA 140 Ca 0.12 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 3ixe s ALA 140 Cb 0.18 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 3ixe s ALA 140 CO 0.69 -0.16 1.13 0.15 0.00 0.00 0.00 175.76 177.57 3ixe s LYS 141 N -4.24 2.87 0.27 0.00 1.02 -1.26 -4.77 119.74 113.63 3ixe s LYS 141 Ca 0.49 1.50 0.01 0.00 0.02 0.00 0.00 55.97 57.99 3ixe s LYS 141 Cb -0.10 -1.95 0.61 0.00 -0.52 0.00 0.00 37.83 35.86 3ixe s LYS 141 CO 0.38 -1.22 1.75 0.00 -0.92 0.00 0.00 175.35 175.34 3ixe h ALA 142 N 0.31 1.37 -0.60 5.17 0.00 -1.98 -0.65 119.26 122.88 3ixe h ALA 142 Ca -0.48 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3ixe h ALA 142 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3ixe h ALA 142 CO 0.54 -0.14 0.26 -1.35 0.00 0.00 0.00 179.25 178.56 3ixe h PRO 143 N 0.59 0.88 -0.34 0.00 0.11 -2.00 -1.69 132.00 129.55 3ixe h PRO 143 Ca 0.50 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 3ixe h PRO 143 Cb 0.78 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3ixe h PRO 143 CO -0.40 0.73 0.11 1.25 -0.21 0.00 0.00 178.00 179.48 3ixe h LEU 144 N 0.83 0.49 -0.66 2.35 5.85 -1.76 -1.91 115.31 120.49 3ixe h LEU 144 Ca 0.20 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.86 3ixe h LEU 144 Cb 0.16 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 40.95 3ixe h LEU 144 CO -0.02 0.56 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.53 3ixe h ARG 145 N 0.40 0.09 -0.35 1.25 2.43 -0.97 0.03 114.38 117.27 3ixe h ARG 145 Ca 0.11 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 3ixe h ARG 145 Cb 0.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3ixe h ARG 145 CO -0.00 0.06 -0.37 0.93 -1.51 0.00 0.00 179.97 179.07 3ixe h GLU 146 N 0.10 0.82 -0.43 0.20 5.08 -1.12 0.24 114.58 119.47 3ixe h GLU 146 Ca 0.35 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3ixe h GLU 146 Cb 0.58 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3ixe h GLU 146 CO -0.59 1.05 0.22 1.25 -1.00 0.00 0.00 179.01 179.95 3ixe h LEU 147 N 0.68 0.55 -0.20 1.33 5.85 -0.72 -1.37 115.31 121.42 3ixe h LEU 147 Ca 0.06 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3ixe h LEU 147 Cb 0.94 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3ixe h LEU 147 CO 0.09 0.50 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.12 3ixe h LEU 148 N 0.55 0.79 -0.97 2.25 3.38 -0.87 -2.24 115.31 118.20 3ixe h LEU 148 Ca 0.15 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3ixe h LEU 148 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ixe h LEU 148 CO -0.02 1.21 0.51 0.03 0.09 0.00 0.00 178.44 180.26 3ixe h ARG 149 N 0.40 1.22 -0.13 1.13 3.08 -0.91 -0.53 114.38 118.64 3ixe h ARG 149 Ca -0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3ixe h ARG 149 Cb 1.11 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3ixe h ARG 149 CO 0.11 0.88 0.05 1.49 -1.07 0.00 0.00 179.97 181.43 3ixe h GLU 150 N 1.24 0.19 -0.34 0.04 4.81 -1.20 0.46 114.58 119.77 3ixe h GLU 150 Ca 0.32 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.55 3ixe h GLU 150 Cb -0.01 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3ixe h GLU 150 CO -0.05 0.27 0.14 -0.09 -0.73 0.00 0.00 179.01 178.55 3ixe h ARG 151 N 0.06 0.29 -0.82 1.92 2.43 -1.24 -1.28 114.38 115.74 3ixe h ARG 151 Ca 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3ixe h ARG 151 Cb 0.15 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 3ixe h ARG 151 CO -0.00 0.19 0.39 0.00 -1.51 0.00 0.00 179.97 179.03 3ixe h ALA 152 N 1.20 1.06 0.00 2.80 0.00 -0.96 -1.83 119.26 121.53 3ixe h ALA 152 Ca 0.15 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ixe h ALA 152 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ixe h ALA 152 CO -0.14 0.63 -0.10 1.49 0.00 0.00 0.00 179.25 181.13 3ixe h GLU 153 N 1.16 -0.16 -0.11 0.00 4.57 -0.65 0.23 114.58 119.62 3ixe h GLU 153 Ca 0.28 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 3ixe h GLU 153 Cb 0.13 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3ixe h GLU 153 CO -0.03 -0.11 0.07 -0.22 -1.18 0.00 0.00 179.01 177.54 3ixe h LYS 154 N -0.17 0.13 -0.01 1.92 3.64 -0.95 -0.84 116.57 120.30 3ixe h LYS 154 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ixe h LYS 154 Cb 0.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3ixe h LYS 154 CO -0.10 0.09 -0.14 -1.33 -2.27 0.00 0.00 179.45 175.70 3ixe n MET 155 N -4.52 0.84 -0.45 1.90 2.81 -0.71 -4.92 117.12 112.07 3ixe n MET 155 Ca -0.01 -0.38 0.00 0.00 -1.81 0.00 0.00 57.70 55.50 3ixe n MET 155 Cb 0.09 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3ixe n MET 155 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ixe n GLY 156 N 1.28 0.74 3.75 3.03 0.00 -0.32 -5.06 105.19 108.62 3ixe n GLY 156 Ca 0.15 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3ixe n GLY 156 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ixe s GLN 157 N -0.76 3.14 -0.22 1.61 -0.21 0.01 -4.99 119.66 118.24 3ixe s GLN 157 Ca 0.00 1.96 -0.24 0.00 0.02 0.00 0.00 55.36 57.10 3ixe s GLN 157 Cb 0.00 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 3ixe s GLN 157 CO 0.00 -1.11 0.79 1.21 -2.12 0.00 0.00 175.29 174.06 3ixe s ASN 158 N -1.34 6.83 0.00 5.90 3.84 -1.26 -4.65 114.94 124.26 3ixe s ASN 158 Ca 0.74 1.03 0.28 0.00 0.21 0.00 0.00 52.86 55.11 3ixe s ASN 158 Cb -0.34 -2.42 1.07 0.00 -0.55 0.00 0.00 41.25 39.01 3ixe s ASN 158 CO 0.38 -0.45 1.75 0.18 -2.79 0.00 0.00 177.10 176.18 3ixe n LEU 159 N 5.67 1.01 -4.69 3.21 4.77 -1.26 -4.80 117.00 120.90 3ixe n LEU 159 Ca 0.04 -0.28 -0.44 0.00 -0.03 0.00 0.00 56.01 55.30 3ixe n LEU 159 Cb 0.48 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3ixe n LEU 159 CO 0.47 0.18 1.15 0.59 -1.33 0.00 0.00 177.39 178.45 3ixe n ASN 160 N -0.42 3.23 -4.65 -1.43 4.13 -1.26 -4.79 115.26 110.06 3ixe n ASN 160 Ca 0.16 1.12 -0.47 0.00 1.68 0.00 0.00 54.58 57.07 3ixe n ASN 160 Cb 0.32 -1.48 -0.04 0.00 -1.54 0.00 0.00 39.78 37.03 3ixe n ASN 160 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3ixe n ARG 161 N 2.62 1.94 -3.69 3.52 0.63 -1.26 -4.80 116.66 115.62 3ixe n ARG 161 Ca 0.13 0.70 -0.38 0.00 -0.92 0.00 0.00 57.85 57.38 3ixe n ARG 161 Cb 0.32 -2.43 -0.11 0.00 0.45 0.00 0.00 32.46 30.70 3ixe n ARG 161 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3ixe s ILE 162 N 0.73 3.69 0.55 5.15 1.01 -0.37 -5.02 121.20 126.94 3ixe s ILE 162 Ca 0.79 -1.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 3ixe s ILE 162 Cb -0.73 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3ixe s ILE 162 CO 0.41 -0.65 1.25 -2.84 0.00 0.00 0.00 174.94 173.10 3ixe s PRO 163 N 1.26 3.18 0.08 2.79 0.02 -1.26 -1.56 135.00 139.50 3ixe s PRO 163 Ca 0.06 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 3ixe s PRO 163 Cb -0.24 -2.13 -0.07 0.00 0.02 0.00 0.00 34.50 32.08 3ixe s PRO 163 CO -0.02 -1.07 1.45 -0.47 -0.33 0.00 0.00 177.00 176.56 3ixe s TYR 164 N -1.48 2.98 0.09 6.54 5.04 -1.26 -4.87 117.35 124.39 3ixe s TYR 164 Ca 0.73 0.78 0.08 0.00 -2.44 0.00 0.00 57.07 56.22 3ixe s TYR 164 Cb -0.33 -3.74 -0.03 0.00 0.35 0.00 0.00 41.96 38.20 3ixe s TYR 164 CO 0.38 -2.73 -0.21 0.15 -1.34 0.00 0.00 175.55 171.80 3ixe s LYS 165 N 1.73 1.19 0.00 4.97 1.02 -1.26 -5.06 119.74 122.33 3ixe s LYS 165 Ca 0.66 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3ixe s LYS 165 Cb -0.36 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 3ixe s LYS 165 CO 0.30 0.34 0.00 -0.25 -0.92 0.00 0.00 175.35 174.82