#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqa n MET 4 N 0.00 1.86 0.00 0.11 0.00 -1.26 -4.75 117.12 113.07 2pqa n MET 4 Ca 0.00 -3.02 0.14 0.00 0.00 0.00 0.00 57.70 54.83 2pqa n MET 4 Cb 0.00 -1.70 0.66 0.00 0.00 0.00 0.00 33.22 32.18 2pqa n MET 4 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2pqa n MET 5 N -1.08 0.47 -0.51 3.17 2.00 -1.26 -3.34 117.12 116.57 2pqa n MET 5 Ca 0.24 -0.09 0.05 0.00 0.00 0.00 0.00 57.70 57.89 2pqa n MET 5 Cb 0.83 -1.50 0.23 0.00 0.00 0.00 0.00 33.22 32.78 2pqa n MET 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2pqa n ASP 6 N -1.18 3.29 -4.59 7.83 8.00 -1.26 -4.99 116.55 123.65 2pqa n ASP 6 Ca 0.13 -3.26 -0.24 0.00 0.71 0.00 0.00 54.79 52.13 2pqa n ASP 6 Cb 0.27 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 2pqa n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pqa s LEU 7 N -2.97 3.01 0.34 0.64 1.43 -1.21 -5.11 118.68 114.81 2pqa s LEU 7 Ca 0.42 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2pqa s LEU 7 Cb 0.36 -1.56 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 2pqa s LEU 7 CO 0.05 0.03 1.37 -2.84 0.23 0.00 0.00 176.35 175.19 2pqa s PRO 8 N -3.46 4.28 -0.21 1.29 0.02 -1.26 -5.04 135.00 130.61 2pqa s PRO 8 Ca 0.30 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.65 2pqa s PRO 8 Cb -0.07 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 31.47 2pqa s PRO 8 CO 0.18 -0.30 -0.06 1.03 -0.33 0.00 0.00 177.00 177.52 2pqa s ARG 9 N -1.87 1.64 0.39 5.54 0.52 -1.26 -4.72 118.95 119.18 2pqa s ARG 9 Ca 0.50 -0.85 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 2pqa s ARG 9 Cb -0.42 -2.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.53 2pqa s ARG 9 CO 0.56 -0.53 1.34 -1.12 0.02 0.00 0.00 175.30 175.57 2pqa s SER 10 N 1.46 6.40 -0.23 0.23 0.01 -1.15 -4.41 113.70 116.01 2pqa s SER 10 Ca -0.03 2.74 -0.18 0.00 1.31 0.00 0.00 55.95 59.79 2pqa s SER 10 Cb -0.18 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 2pqa s SER 10 CO -0.07 -0.80 0.53 -0.13 0.41 0.00 0.00 173.24 173.18 2pqa s ARG 11 N -2.12 4.13 0.09 12.44 0.52 -1.26 -0.29 118.95 132.46 2pqa s ARG 11 Ca 0.55 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 56.17 2pqa s ARG 11 Cb -0.40 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.42 2pqa s ARG 11 CO 0.53 -0.27 -0.07 0.96 0.02 0.00 0.00 175.30 176.46 2pqa s ILE 12 N 2.05 0.72 0.59 1.52 -4.36 -1.08 -4.94 121.20 115.71 2pqa s ILE 12 Ca 0.23 -1.82 0.09 0.00 -0.26 0.00 0.00 60.65 58.90 2pqa s ILE 12 Cb -0.16 -1.54 0.09 0.00 1.25 0.00 0.00 42.46 42.11 2pqa s ILE 12 CO 0.09 -0.78 0.76 0.54 0.24 0.00 0.00 174.94 175.79 2pqa s ASN 13 N -2.83 4.94 0.36 4.36 2.20 -1.26 -4.39 114.94 118.32 2pqa s ASN 13 Ca 0.09 -0.98 0.03 0.00 -0.94 0.00 0.00 52.86 51.06 2pqa s ASN 13 Cb 0.03 0.48 0.67 0.00 -2.00 0.00 0.00 41.25 40.43 2pqa s ASN 13 CO -0.03 -1.39 2.00 0.00 -2.94 0.00 0.00 177.10 174.73 2pqa h ALA 14 N 0.20 1.59 0.00 3.54 0.00 -1.88 -2.37 119.26 120.35 2pqa h ALA 14 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2pqa h ALA 14 Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2pqa h ALA 14 CO 0.43 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.45 2pqa n GLY 15 N -1.44 -1.07 0.69 0.00 0.00 -1.26 -2.18 105.19 99.93 2pqa n GLY 15 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2pqa n GLY 15 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2pqa n MET 16 N -1.40 1.97 -0.10 1.61 0.00 -0.89 -4.62 117.12 113.69 2pqa n MET 16 Ca 0.07 -1.80 -0.06 0.00 0.00 0.00 0.00 57.70 55.91 2pqa n MET 16 Cb 0.20 -1.31 0.01 0.00 0.00 0.00 0.00 33.22 32.12 2pqa n MET 16 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2pqa h LEU 17 N 2.64 -0.11 -0.32 3.17 3.38 -1.49 -1.82 115.31 120.76 2pqa h LEU 17 Ca 0.00 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2pqa h LEU 17 Cb 0.70 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 2pqa h LEU 17 CO 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 178.44 178.53 2pqa h ALA 18 N 1.29 0.30 0.00 1.53 0.00 -1.82 -1.84 119.26 118.72 2pqa h ALA 18 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2pqa h ALA 18 Cb 0.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2pqa h ALA 18 CO -0.26 -0.39 0.00 1.04 0.00 0.00 0.00 179.25 179.64 2pqa n GLN 19 N -5.15 0.01 -0.29 0.00 3.00 -0.92 -2.75 117.38 111.28 2pqa n GLN 19 Ca 0.01 0.24 0.09 0.00 -0.01 0.00 0.00 57.00 57.32 2pqa n GLN 19 Cb 0.16 -1.52 0.20 0.00 0.00 0.00 0.00 30.24 29.08 2pqa n GLN 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2pqa n PHE 20 N -1.54 0.51 -1.60 1.08 3.01 -0.72 -5.05 117.46 113.14 2pqa n PHE 20 Ca 0.04 -0.97 -0.53 0.00 1.01 0.00 0.00 57.45 56.99 2pqa n PHE 20 Cb 0.19 -0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 39.35 2pqa n PHE 20 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2pqa n ILE 21 N -0.96 0.04 -0.17 4.37 5.41 -1.03 -1.47 119.36 125.56 2pqa n ILE 21 Ca 0.19 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.94 2pqa n ILE 21 Cb 0.78 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2pqa n ILE 21 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pqa n ASP 22 N 2.87 0.00 -4.85 4.38 2.03 0.69 -4.98 116.55 116.69 2pqa n ASP 22 Ca 0.20 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.18 2pqa n ASP 22 Cb 0.17 -0.11 -0.06 0.00 -0.72 0.00 0.00 41.12 40.40 2pqa n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2pqa s LYS 23 N -0.01 4.03 0.24 -0.67 1.02 -0.54 -4.71 119.74 119.10 2pqa s LYS 23 Ca 0.00 0.69 -0.30 0.00 0.02 0.00 0.00 55.97 56.38 2pqa s LYS 23 Cb 0.00 -2.47 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2pqa s LYS 23 CO 0.00 0.18 1.24 -2.14 -0.92 0.00 0.00 175.35 173.71 2pqa s PRO 24 N -2.88 4.45 0.09 -1.68 0.02 -1.26 -2.07 135.00 131.67 2pqa s PRO 24 Ca 0.53 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2pqa s PRO 24 Cb -0.11 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2pqa s PRO 24 CO 0.18 -0.11 -0.02 0.14 -0.33 0.00 0.00 177.00 176.85 2pqa s VAL 25 N -0.44 0.39 -0.18 3.83 -7.23 0.14 -2.92 120.40 113.98 2pqa s VAL 25 Ca 0.52 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2pqa s VAL 25 Cb -0.35 -1.71 0.03 0.00 0.56 0.00 0.00 36.38 34.90 2pqa s VAL 25 CO 0.42 -0.82 -0.15 0.00 -0.31 0.00 0.00 175.10 174.23 2pqa s PHE 27 N 1.36 2.76 -0.20 0.00 5.36 0.62 -2.63 117.98 125.25 2pqa s PHE 27 Ca 0.03 -1.35 -0.06 0.00 -0.96 0.00 0.00 56.93 54.59 2pqa s PHE 27 Cb -0.14 -1.89 -0.03 0.00 -0.34 0.00 0.00 43.02 40.62 2pqa s PHE 27 CO -0.11 -0.64 0.02 0.08 -1.46 0.00 0.00 175.22 173.11 2pqa s VAL 28 N 1.03 4.17 0.39 3.12 1.01 -1.26 -1.06 120.40 127.80 2pqa s VAL 28 Ca -0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 2pqa s VAL 28 Cb -0.14 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.40 2pqa s VAL 28 CO -0.05 0.42 0.79 0.61 0.00 0.00 0.00 175.10 176.87 2pqa n GLY 29 N 4.17 0.98 3.78 4.51 0.00 -0.99 -4.58 105.19 113.07 2pqa n GLY 29 Ca -0.17 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 2pqa n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pqa s ARG 30 N -2.09 4.04 -0.26 1.61 3.52 0.32 -1.50 118.95 124.59 2pqa s ARG 30 Ca 0.16 0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 2pqa s ARG 30 Cb -0.05 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 2pqa s ARG 30 CO 0.12 0.43 1.67 -1.17 -0.81 0.00 0.00 175.30 175.54 2pqa s LEU 31 N -0.12 3.76 -0.18 -0.88 2.96 -0.73 -0.36 118.68 123.14 2pqa s LEU 31 Ca 0.17 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.62 2pqa s LEU 31 Cb -0.13 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.80 2pqa s LEU 31 CO 0.06 -1.41 0.13 -0.62 -1.32 0.00 0.00 176.35 173.19 2pqa n GLU 32 N 7.93 0.69 -3.61 1.98 -0.58 -0.15 -4.68 120.64 122.22 2pqa n GLU 32 Ca 0.20 0.18 -0.09 0.00 -0.42 0.00 0.00 57.16 57.03 2pqa n GLU 32 Cb 0.46 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 2pqa n GLU 32 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2pqa s LYS 33 N -2.54 0.51 -0.11 3.49 2.20 -1.22 -4.99 119.74 117.09 2pqa s LYS 33 Ca -0.23 0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 2pqa s LYS 33 Cb 0.08 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 2pqa s LYS 33 CO 0.72 -0.11 -0.16 0.42 -0.36 0.00 0.00 175.35 175.86 2pqa s ILE 34 N -0.41 1.53 0.33 5.43 1.01 -1.26 -0.38 121.20 127.44 2pqa s ILE 34 Ca 0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 2pqa s ILE 34 Cb -0.03 -1.39 -0.12 0.00 0.01 0.00 0.00 42.46 40.93 2pqa s ILE 34 CO -0.03 0.45 1.35 1.57 0.00 0.00 0.00 174.94 178.27 2pqa n HIS 35 N 4.18 2.38 0.05 3.97 -0.00 -0.21 -4.88 115.22 120.71 2pqa n HIS 35 Ca -0.19 0.51 0.21 0.00 -0.00 0.00 0.00 57.72 58.25 2pqa n HIS 35 Cb 0.51 -2.45 0.65 0.00 -0.00 0.00 0.00 29.99 28.70 2pqa n HIS 35 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2pqa h PRO 36 N 2.97 0.00 0.00 1.57 0.11 -2.00 0.27 132.00 134.92 2pqa h PRO 36 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pqa h PRO 36 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pqa h PRO 36 CO 0.66 0.00 -0.13 1.79 -0.21 0.00 0.00 178.00 180.11 2pqa h THR 37 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -3.47 112.91 107.72 2pqa h THR 37 Ca 0.24 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2pqa h THR 37 Cb 1.56 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2pqa h THR 37 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2pqa n GLY 38 N 1.27 0.53 0.01 5.82 0.00 0.08 -4.63 105.19 108.27 2pqa n GLY 38 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2pqa n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pqa n LYS 39 N -2.24 0.17 -4.01 1.61 5.02 -1.26 -1.98 118.16 115.48 2pqa n LYS 39 Ca 0.00 -0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 2pqa n LYS 39 Cb 0.06 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 2pqa n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pqa s MET 40 N -3.13 0.69 0.25 1.97 0.23 -1.26 0.51 119.30 118.56 2pqa s MET 40 Ca 0.05 -1.12 -0.20 0.00 -1.03 0.00 0.00 55.69 53.39 2pqa s MET 40 Cb 0.15 0.26 0.02 0.00 -1.53 0.00 0.00 34.83 33.74 2pqa s MET 40 CO 0.84 -0.17 0.64 -0.59 -2.03 0.00 0.00 175.02 173.71 2pqa s PHE 41 N -3.89 -0.14 -0.04 3.16 -0.12 -0.42 -1.05 117.98 115.48 2pqa s PHE 41 Ca 0.06 -0.25 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 2pqa s PHE 41 Cb 0.07 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2pqa s PHE 41 CO -0.10 -1.10 -0.20 0.42 -0.05 0.00 0.00 175.22 174.18 2pqa s ILE 42 N -3.91 2.57 0.09 -4.49 1.01 0.49 -0.53 121.20 116.44 2pqa s ILE 42 Ca 0.11 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.95 2pqa s ILE 42 Cb -0.04 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2pqa s ILE 42 CO 0.03 0.58 -0.24 -0.76 0.00 0.00 0.00 174.94 174.55 2pqa s LEU 43 N -0.64 2.26 -0.04 2.97 1.43 -0.79 -0.98 118.68 122.90 2pqa s LEU 43 Ca 0.10 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2pqa s LEU 43 Cb -0.11 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 2pqa s LEU 43 CO -0.00 0.16 -0.16 -0.94 0.23 0.00 0.00 176.35 175.63 2pqa s SER 44 N -1.74 3.84 0.30 2.29 1.04 0.52 -1.74 113.70 118.20 2pqa s SER 44 Ca 0.11 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.30 2pqa s SER 44 Cb -0.10 -0.75 0.02 0.00 0.10 0.00 0.00 66.02 65.29 2pqa s SER 44 CO 0.04 0.34 0.19 -0.90 0.98 0.00 0.00 173.24 173.89 2pqa n ASP 45 N 2.33 0.35 0.00 7.02 5.68 -0.34 0.12 116.55 131.70 2pqa n ASP 45 Ca -0.17 -1.27 0.08 0.00 -0.50 0.00 0.00 54.79 52.93 2pqa n ASP 45 Cb 0.52 -0.11 0.48 0.00 -1.14 0.00 0.00 41.12 40.87 2pqa n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pqa n GLY 46 N 3.49 -0.75 0.33 6.12 0.00 -1.26 -1.35 105.19 111.77 2pqa n GLY 46 Ca 0.03 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2pqa n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pqa n GLU 47 N -0.84 1.25 -2.11 1.61 0.28 -1.26 -4.47 120.64 115.10 2pqa n GLU 47 Ca 0.12 -2.69 -0.15 0.00 -0.16 0.00 0.00 57.16 54.27 2pqa n GLU 47 Cb 0.06 -1.42 -0.02 0.00 1.43 0.00 0.00 31.44 31.49 2pqa n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pqa n GLY 48 N -1.17 0.13 3.88 -1.84 0.00 -0.45 -5.01 105.19 100.73 2pqa n GLY 48 Ca 0.16 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2pqa n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqa s LYS 49 N -4.45 3.41 0.12 1.61 -0.14 -1.26 -4.85 119.74 114.18 2pqa s LYS 49 Ca 0.00 -0.22 -0.09 0.00 -1.36 0.00 0.00 55.97 54.30 2pqa s LYS 49 Cb 0.00 -3.13 -0.06 0.00 -1.68 0.00 0.00 37.83 32.96 2pqa s LYS 49 CO 0.00 0.74 0.43 -0.80 -0.76 0.00 0.00 175.35 174.96 2pqa s ASN 50 N -1.35 6.62 -0.02 2.83 0.01 -1.26 -1.20 114.94 120.56 2pqa s ASN 50 Ca 0.19 0.79 0.02 0.00 -0.71 0.00 0.00 52.86 53.15 2pqa s ASN 50 Cb -0.12 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.37 2pqa s ASN 50 CO 0.09 0.10 -0.05 -0.83 -1.51 0.00 0.00 177.10 174.90 2pqa s GLY 51 N -2.01 0.37 -0.07 0.66 0.00 -0.71 -4.83 107.32 100.72 2pqa s GLY 51 Ca 0.38 -0.16 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 2pqa s GLY 51 CO 0.20 0.07 0.40 -1.59 0.00 0.00 0.00 173.10 172.19 2pqa s THR 52 N 0.33 5.13 -0.04 0.90 2.01 -1.26 -1.88 115.64 120.83 2pqa s THR 52 Ca -0.04 0.81 0.07 0.00 0.31 0.00 0.00 61.69 62.84 2pqa s THR 52 Cb -0.08 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2pqa s THR 52 CO -0.00 0.47 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.52 2pqa s ILE 53 N -0.28 2.02 0.11 1.82 -1.09 0.31 -1.13 121.20 122.96 2pqa s ILE 53 Ca 0.23 -1.06 0.08 0.00 -2.23 0.00 0.00 60.65 57.67 2pqa s ILE 53 Cb -0.15 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.99 2pqa s ILE 53 CO 0.11 0.57 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.57 2pqa s GLU 54 N -0.31 1.13 -0.01 2.79 2.02 0.26 -1.30 118.70 123.28 2pqa s GLU 54 Ca 0.01 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 53.85 2pqa s GLU 54 Cb -0.12 -1.37 -0.01 0.00 0.10 0.00 0.00 34.13 32.73 2pqa s GLU 54 CO 0.02 0.31 -0.10 -0.51 0.02 0.00 0.00 175.26 175.00 2pqa s LEU 55 N -1.97 1.99 0.29 1.80 1.02 0.18 0.33 118.68 122.33 2pqa s LEU 55 Ca 0.07 -0.18 0.10 0.00 0.02 0.00 0.00 54.13 54.14 2pqa s LEU 55 Cb -0.10 -0.52 0.43 0.00 0.02 0.00 0.00 46.19 46.02 2pqa s LEU 55 CO 0.04 0.12 1.66 0.24 0.02 0.00 0.00 176.35 178.43 2pqa h MET 56 N 5.95 0.05 -5.54 1.70 2.86 -1.84 -3.45 114.93 114.65 2pqa h MET 56 Ca -0.32 -0.03 -0.44 0.00 -2.06 0.00 0.00 59.70 56.85 2pqa h MET 56 Cb 1.17 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.67 2pqa h MET 56 CO 0.49 0.58 -0.76 -1.21 1.06 0.00 0.00 176.91 177.08 2pqa s GLU 57 N -3.80 1.14 0.53 1.72 2.02 -1.26 -5.09 118.70 113.96 2pqa s GLU 57 Ca -0.02 -1.36 -0.20 0.00 0.02 0.00 0.00 54.97 53.41 2pqa s GLU 57 Cb 0.13 -1.02 -0.06 0.00 0.10 0.00 0.00 34.13 33.28 2pqa s GLU 57 CO 0.76 0.19 1.13 -2.14 0.02 0.00 0.00 175.26 175.22 2pqa s PRO 58 N -2.95 3.42 0.37 0.39 0.02 -1.26 -4.72 135.00 130.27 2pqa s PRO 58 Ca 0.13 1.61 -0.25 0.00 0.02 0.00 0.00 61.00 62.51 2pqa s PRO 58 Cb -0.04 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.32 2pqa s PRO 58 CO 0.04 -0.79 0.80 1.28 -0.33 0.00 0.00 177.00 178.00 2pqa n LEU 59 N -1.21 1.16 0.17 -5.54 4.77 -0.84 -4.91 117.00 110.59 2pqa n LEU 59 Ca 0.11 1.03 0.07 0.00 -0.03 0.00 0.00 56.01 57.19 2pqa n LEU 59 Cb 0.51 -1.22 0.08 0.00 -2.33 0.00 0.00 43.42 40.46 2pqa n LEU 59 CO 0.42 -2.10 0.56 0.44 -1.33 0.00 0.00 177.39 175.38 2pqa h ASP 60 N 1.32 0.00 -5.13 -1.43 3.32 -1.93 -3.49 116.42 109.07 2pqa h ASP 60 Ca -0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2pqa h ASP 60 Cb 1.37 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.84 2pqa h ASP 60 CO 0.56 0.25 0.03 -1.83 -1.72 0.00 0.00 179.24 176.53 2pqa s GLU 61 N -3.09 1.60 0.49 3.56 -1.05 -1.26 -5.14 118.70 113.81 2pqa s GLU 61 Ca 0.05 -1.09 -0.24 0.00 -0.15 0.00 0.00 54.97 53.54 2pqa s GLU 61 Cb 0.07 0.53 -0.07 0.00 -0.44 0.00 0.00 34.13 34.22 2pqa s GLU 61 CO 0.72 -0.69 1.39 -1.21 0.95 0.00 0.00 175.26 176.42 2pqa s GLU 62 N -3.96 3.46 0.04 -4.83 0.41 -1.26 -5.04 118.70 107.51 2pqa s GLU 62 Ca 0.16 2.33 0.04 0.00 -0.41 0.00 0.00 54.97 57.09 2pqa s GLU 62 Cb -0.03 -2.48 -0.02 0.00 -1.78 0.00 0.00 34.13 29.82 2pqa s GLU 62 CO 0.06 -0.97 -0.11 0.96 -0.49 0.00 0.00 175.26 174.71 2pqa s ILE 63 N -1.25 0.88 0.29 -1.63 -4.36 -1.26 -5.16 121.20 108.71 2pqa s ILE 63 Ca 0.65 -0.92 -0.20 0.00 -0.26 0.00 0.00 60.65 59.93 2pqa s ILE 63 Cb -0.42 -0.82 0.05 0.00 1.25 0.00 0.00 42.46 42.52 2pqa s ILE 63 CO 0.52 -0.08 0.86 -0.94 0.24 0.00 0.00 174.94 175.54 2pqa s SER 64 N -1.12 -0.07 0.97 4.36 1.04 -1.26 -5.03 113.70 112.58 2pqa s SER 64 Ca -0.01 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2pqa s SER 64 Cb -0.08 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2pqa s SER 64 CO 0.01 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.49 2pqa n GLY 65 N -0.55 1.50 3.70 7.32 0.00 -1.26 -4.64 105.19 111.26 2pqa n GLY 65 Ca -0.06 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 2pqa n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqa s ILE 66 N 0.00 4.65 -0.05 -0.61 -1.09 -1.26 -1.77 121.20 121.07 2pqa s ILE 66 Ca 0.00 1.91 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 2pqa s ILE 66 Cb 0.00 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2pqa s ILE 66 CO 0.00 0.10 -0.15 -0.69 -1.23 0.00 0.00 174.94 172.97 2pqa s VAL 67 N 1.40 1.28 -0.29 2.92 1.01 -0.56 -1.22 120.40 124.93 2pqa s VAL 67 Ca 0.53 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2pqa s VAL 67 Cb -0.22 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2pqa s VAL 67 CO 0.25 0.38 0.07 -0.70 0.00 0.00 0.00 175.10 175.10 2pqa s GLU 68 N 0.22 3.04 -0.12 2.72 2.12 0.16 -2.33 118.70 124.50 2pqa s GLU 68 Ca -0.07 -0.89 -0.02 0.00 0.36 0.00 0.00 54.97 54.35 2pqa s GLU 68 Cb -0.12 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2pqa s GLU 68 CO 0.02 -0.45 -0.03 0.08 -0.54 0.00 0.00 175.26 174.34 2pqa s VAL 69 N 1.48 3.99 -0.12 3.70 1.01 -0.22 0.01 120.40 130.25 2pqa s VAL 69 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2pqa s VAL 69 Cb -0.17 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2pqa s VAL 69 CO 0.02 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 174.92 2pqa s VAL 70 N -0.23 3.76 -0.02 2.92 1.01 0.25 -0.28 120.40 127.82 2pqa s VAL 70 Ca 0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2pqa s VAL 70 Cb -0.13 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.70 2pqa s VAL 70 CO 0.02 0.54 0.56 0.61 0.00 0.00 0.00 175.10 176.83 2pqa n GLY 71 N 2.97 0.41 3.80 4.51 0.00 -0.37 -0.20 105.19 116.31 2pqa n GLY 71 Ca -0.18 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2pqa n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pqa s ARG 72 N -2.00 3.83 0.06 1.61 3.52 -0.86 0.23 118.95 125.33 2pqa s ARG 72 Ca 0.13 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.25 2pqa s ARG 72 Cb -0.00 -3.31 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 2pqa s ARG 72 CO -0.01 0.53 1.40 0.14 -0.81 0.00 0.00 175.30 176.55 2pqa s VAL 73 N -0.31 3.52 0.63 7.11 -7.23 -0.88 -1.10 120.40 122.14 2pqa s VAL 73 Ca 0.11 1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 61.19 2pqa s VAL 73 Cb -0.11 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 2pqa s VAL 73 CO 0.01 0.04 1.02 -0.89 -0.31 0.00 0.00 175.10 174.96 2pqa s THR 74 N 1.78 4.32 0.52 5.32 2.01 0.21 -0.23 115.64 129.58 2pqa s THR 74 Ca 0.64 0.65 0.25 0.00 0.31 0.00 0.00 61.69 63.54 2pqa s THR 74 Cb -0.34 -3.73 0.39 0.00 0.01 0.00 0.00 72.50 68.83 2pqa s THR 74 CO 0.29 -0.93 1.99 0.00 -0.69 0.00 0.00 174.62 175.28 2pqa h ALA 75 N -0.35 2.47 -0.35 7.40 0.00 -1.95 -0.17 119.26 126.32 2pqa h ALA 75 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pqa h ALA 75 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2pqa h ALA 75 CO 0.62 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2pqa n LYS 76 N -4.39 3.14 -2.42 0.00 4.76 -1.26 -4.92 118.16 113.08 2pqa n LYS 76 Ca 0.10 -1.81 -0.15 0.00 -2.87 0.00 0.00 58.31 53.58 2pqa n LYS 76 Cb 0.60 -1.88 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2pqa n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pqa n ALA 77 N 0.41 -0.50 -2.60 7.82 0.00 -0.07 -5.02 120.51 120.54 2pqa n ALA 77 Ca 0.16 0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 2pqa n ALA 77 Cb 0.75 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 2pqa n ALA 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqa s THR 78 N -2.80 3.65 -0.16 0.00 2.01 -1.25 -4.71 115.64 112.37 2pqa s THR 78 Ca 0.06 -1.51 -0.03 0.00 0.31 0.00 0.00 61.69 60.52 2pqa s THR 78 Cb -0.03 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 2pqa s THR 78 CO 0.07 -0.24 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.08 2pqa s ILE 79 N -2.29 3.69 -0.41 1.82 1.01 -0.28 0.65 121.20 125.40 2pqa s ILE 79 Ca 0.37 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.35 2pqa s ILE 79 Cb -0.06 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2pqa s ILE 79 CO 0.25 0.48 0.90 -0.22 0.00 0.00 0.00 174.94 176.35 2pqa s LEU 80 N 0.54 4.02 -0.00 2.97 2.96 -0.26 0.91 118.68 129.82 2pqa s LEU 80 Ca -0.04 0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.92 2pqa s LEU 80 Cb -0.15 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 2pqa s LEU 80 CO 0.03 -0.91 1.29 0.00 -1.32 0.00 0.00 176.35 175.44 2pqa n THR 82 N 4.48 0.88 -3.62 0.00 5.66 0.72 -4.70 114.28 117.70 2pqa n THR 82 Ca 0.12 -0.72 -0.08 0.00 -3.05 0.00 0.00 64.05 60.32 2pqa n THR 82 Cb 0.45 -0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 68.87 2pqa n THR 82 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2pqa s SER 83 N -5.09 -0.31 0.07 1.09 0.15 -0.97 -5.02 113.70 103.62 2pqa s SER 83 Ca -0.09 0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.98 2pqa s SER 83 Cb 0.09 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2pqa s SER 83 CO 0.84 -0.19 0.09 -0.72 1.20 0.00 0.00 173.24 174.46 2pqa s TYR 84 N -0.47 0.31 -0.04 3.44 -0.85 -1.26 0.86 117.35 119.33 2pqa s TYR 84 Ca 0.03 -0.76 0.02 0.00 -0.52 0.00 0.00 57.07 55.83 2pqa s TYR 84 Cb -0.03 -0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.12 2pqa s TYR 84 CO -0.05 -0.45 -0.08 0.08 -1.52 0.00 0.00 175.55 173.53 2pqa s VAL 85 N -3.70 0.79 -0.12 -3.49 1.01 0.10 -4.98 120.40 110.02 2pqa s VAL 85 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 2pqa s VAL 85 Cb 0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2pqa s VAL 85 CO -0.10 0.27 0.98 -1.10 0.00 0.00 0.00 175.10 175.15 2pqa s GLN 86 N 0.60 4.40 0.33 2.72 -0.21 -1.26 0.36 119.66 126.60 2pqa s GLN 86 Ca -0.10 1.34 -0.28 0.00 0.02 0.00 0.00 55.36 56.34 2pqa s GLN 86 Cb -0.13 -3.55 -0.09 0.00 1.00 0.00 0.00 33.01 30.24 2pqa s GLN 86 CO 0.01 -0.32 1.17 -0.06 -2.12 0.00 0.00 175.29 173.97 2pqa s PHE 87 N 2.05 3.28 0.31 0.91 0.40 -0.36 -4.97 117.98 119.60 2pqa s PHE 87 Ca 0.47 1.58 -0.10 0.00 -0.60 0.00 0.00 56.93 58.28 2pqa s PHE 87 Cb -0.18 -3.41 -0.07 0.00 0.51 0.00 0.00 43.02 39.88 2pqa s PHE 87 CO 0.17 -1.10 0.64 0.15 0.70 0.00 0.00 175.22 175.78 2pqa s LYS 88 N -1.84 3.79 -0.33 0.44 -0.14 -1.26 -4.65 119.74 115.76 2pqa s LYS 88 Ca 0.50 0.34 0.17 0.00 -1.36 0.00 0.00 55.97 55.61 2pqa s LYS 88 Cb -0.33 -2.54 0.45 0.00 -1.68 0.00 0.00 37.83 33.74 2pqa s LYS 88 CO 0.43 0.17 0.96 0.39 -0.76 0.00 0.00 175.35 176.53 2pqa n GLU 89 N -0.68 1.35 -0.06 1.68 1.02 -1.26 -4.87 120.64 117.82 2pqa n GLU 89 Ca 0.01 -3.37 -0.13 0.00 -0.02 0.00 0.00 57.16 53.65 2pqa n GLU 89 Cb 0.53 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.54 2pqa n GLU 89 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2pqa h ASP 90 N 2.96 0.44 0.00 1.62 3.32 -2.02 -3.41 116.42 119.34 2pqa h ASP 90 Ca -0.06 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2pqa h ASP 90 Cb 1.15 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2pqa h ASP 90 CO 0.53 0.83 0.00 -1.54 -1.72 0.00 0.00 179.24 177.34 2pqa n SER 91 N -4.51 0.00 -4.60 6.45 3.41 -1.26 -4.97 113.62 108.13 2pqa n SER 91 Ca -0.06 0.02 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 2pqa n SER 91 Cb 0.38 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.22 2pqa n SER 91 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2pqa s HIS 92 N -0.04 2.98 0.33 7.33 3.76 -1.26 -5.10 115.29 123.29 2pqa s HIS 92 Ca 0.00 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.68 2pqa s HIS 92 Cb 0.00 -1.73 -0.11 0.00 1.11 0.00 0.00 32.58 31.86 2pqa s HIS 92 CO 0.00 0.36 1.45 -1.25 -0.85 0.00 0.00 174.74 174.45 2pqa s PRO 93 N -0.83 4.20 0.05 8.40 0.04 -1.26 -4.71 135.00 140.89 2pqa s PRO 93 Ca 0.13 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 2pqa s PRO 93 Cb -0.11 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 2pqa s PRO 93 CO 0.02 -0.44 1.63 0.12 0.04 0.00 0.00 177.00 178.37 2pqa s PHE 94 N -0.71 2.39 -0.86 0.56 5.36 -1.26 -4.94 117.98 118.52 2pqa s PHE 94 Ca 0.55 0.34 -0.24 0.00 -0.96 0.00 0.00 56.93 56.62 2pqa s PHE 94 Cb -0.44 -3.94 0.06 0.00 -0.34 0.00 0.00 43.02 38.36 2pqa s PHE 94 CO 0.54 -3.76 1.28 0.34 -1.46 0.00 0.00 175.22 172.16 2pqa s ASP 95 N 2.50 6.35 0.20 6.13 -1.08 -1.26 -4.83 116.67 124.68 2pqa s ASP 95 Ca 0.73 -1.12 -0.07 0.00 -0.52 0.00 0.00 52.55 51.57 2pqa s ASP 95 Cb -0.38 -2.52 0.12 0.00 -1.46 0.00 0.00 42.92 38.67 2pqa s ASP 95 CO 0.32 -1.56 1.65 0.25 0.52 0.00 0.00 175.17 176.35 2pqa h LEU 96 N 12.38 0.98 -0.48 -1.34 5.85 -1.97 -2.55 115.31 128.18 2pqa h LEU 96 Ca -0.04 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.47 2pqa h LEU 96 Cb 1.03 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 2pqa h LEU 96 CO 1.30 1.06 0.14 1.23 -0.34 0.00 0.00 178.44 181.83 2pqa h GLY 97 N 0.98 0.62 1.95 3.75 0.00 -1.88 -0.09 103.07 108.40 2pqa h GLY 97 Ca 0.16 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 2pqa h GLY 97 CO 0.03 -0.02 -0.62 1.41 0.00 0.00 0.00 176.54 177.34 2pqa h LEU 98 N 0.30 0.05 -0.65 3.11 3.38 -1.90 -2.04 115.31 117.56 2pqa h LEU 98 Ca 0.23 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2pqa h LEU 98 Cb 0.27 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2pqa h LEU 98 CO -0.27 0.66 0.40 0.22 0.09 0.00 0.00 178.44 179.55 2pqa h TYR 99 N 0.03 0.75 -0.84 1.13 3.20 -0.92 -0.50 116.97 119.82 2pqa h TYR 99 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2pqa h TYR 99 Cb 1.11 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2pqa h TYR 99 CO 0.00 0.42 0.54 -0.97 -1.64 0.00 0.00 178.16 176.52 2pqa h ASN 100 N 0.79 0.98 -0.63 -2.11 -1.24 -0.74 -0.72 115.58 111.91 2pqa h ASN 100 Ca 0.27 -0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.28 2pqa h ASN 100 Cb 0.03 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 38.79 2pqa h ASN 100 CO -0.11 0.73 0.36 -0.33 -1.29 0.00 0.00 177.43 176.79 2pqa h GLU 101 N 1.15 0.66 -0.92 6.67 4.39 -0.93 -2.00 114.58 123.61 2pqa h GLU 101 Ca 0.31 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 60.01 2pqa h GLU 101 Cb -0.10 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.34 2pqa h GLU 101 CO -0.06 0.44 0.59 0.00 -1.16 0.00 0.00 179.01 178.81 2pqa h ALA 102 N 1.31 1.22 0.11 3.43 0.00 -0.56 -2.34 119.26 122.43 2pqa h ALA 102 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2pqa h ALA 102 Cb 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2pqa h ALA 102 CO -0.15 0.44 -0.08 0.28 0.00 0.00 0.00 179.25 179.75 2pqa h VAL 103 N 1.14 0.84 -0.63 0.00 2.07 -0.71 -2.42 116.25 116.54 2pqa h VAL 103 Ca 0.37 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.01 2pqa h VAL 103 Cb 0.02 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 2pqa h VAL 103 CO -0.13 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.71 2pqa h LYS 104 N -0.19 0.26 -0.98 1.57 1.57 -1.10 -0.99 116.57 116.71 2pqa h LYS 104 Ca -0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2pqa h LYS 104 Cb 0.16 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 2pqa h LYS 104 CO 0.00 0.17 0.64 0.82 -0.57 0.00 0.00 179.45 180.51 2pqa h ILE 105 N 0.26 1.13 -0.82 1.86 2.04 -1.32 -0.18 117.51 120.48 2pqa h ILE 105 Ca 0.33 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.79 2pqa h ILE 105 Cb 0.51 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 2pqa h ILE 105 CO -0.42 0.22 0.55 0.40 0.00 0.00 0.00 178.15 178.89 2pqa h ILE 106 N 1.20 1.20 0.00 -0.67 2.04 -0.68 -0.32 117.51 120.28 2pqa h ILE 106 Ca 0.41 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 2pqa h ILE 106 Cb 0.08 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2pqa h ILE 106 CO -0.15 0.20 -0.47 0.45 0.00 0.00 0.00 178.15 178.19 2pqa h HIS 107 N 1.11 0.00 0.00 1.37 3.86 -0.93 -2.77 115.15 117.79 2pqa h HIS 107 Ca 0.30 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.39 2pqa h HIS 107 Cb -0.12 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2pqa h HIS 107 CO -0.02 0.27 -0.62 -0.44 0.86 0.00 0.00 177.93 177.99 2pqa h ASP 108 N 0.00 0.00 -2.15 2.45 3.32 -0.81 -3.39 116.42 115.84 2pqa h ASP 108 Ca -0.02 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.48 2pqa h ASP 108 Cb 1.22 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.36 2pqa h ASP 108 CO 0.03 0.62 -0.87 0.49 -1.72 0.00 0.00 179.24 177.79 2pqa n PHE 109 N -3.39 2.25 0.22 4.55 3.01 -0.15 -4.91 117.46 119.04 2pqa n PHE 109 Ca 0.01 -3.92 0.13 0.00 1.01 0.00 0.00 57.45 54.68 2pqa n PHE 109 Cb 0.72 -0.46 0.76 0.00 -0.01 0.00 0.00 39.48 40.49 2pqa n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2pqa h PRO 110 N 3.26 0.00 0.00 -1.08 0.13 -1.70 -0.79 132.00 131.82 2pqa h PRO 110 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2pqa h PRO 110 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2pqa h PRO 110 CO 0.68 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.89 2pqa h GLN 111 N 0.00 0.00 -0.01 0.86 -0.00 -1.91 -2.79 115.11 111.27 2pqa h GLN 111 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2pqa h GLN 111 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 2pqa h GLN 111 CO -0.00 0.00 -0.22 1.19 -0.00 0.00 0.00 178.83 179.80 2pqa n PHE 112 N -2.82 0.00 -3.24 0.06 3.01 -0.31 -4.54 117.46 109.61 2pqa n PHE 112 Ca -0.01 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.21 2pqa n PHE 112 Cb 0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.57 2pqa n PHE 112 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2pqa n TYR 113 N -0.20 0.95 -1.68 1.38 9.36 -1.08 -5.10 117.16 120.79 2pqa n TYR 113 Ca 0.05 -3.76 -0.54 0.00 3.32 0.00 0.00 57.90 56.97 2pqa n TYR 113 Cb 0.23 -0.42 -0.06 0.00 -0.63 0.00 0.00 39.34 38.46 2pqa n TYR 113 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2pqa n PRO 114 N 1.10 1.44 0.00 2.98 -0.02 -1.07 -4.72 135.00 134.71 2pqa n PRO 114 Ca 0.24 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2pqa n PRO 114 Cb 0.50 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2pqa n PRO 114 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pqa n LEU 115 N 4.93 0.16 0.00 2.45 4.77 -1.26 -5.09 117.00 122.96 2pqa n LEU 115 Ca 0.23 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2pqa n LEU 115 Cb 0.19 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2pqa n LEU 115 CO 0.74 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.45