#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqo s SER -5 N 0.00 -0.24 0.38 1.61 1.04 -1.26 -5.18 113.70 110.04 2cqo s SER -5 Ca 0.00 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.44 2cqo s SER -5 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2cqo s SER -5 CO 0.00 -0.52 0.18 -0.94 0.98 0.00 0.00 173.24 172.94 2cqo s SER -4 N -2.50 4.60 -0.14 7.02 1.04 -1.26 -4.95 113.70 117.51 2cqo s SER -4 Ca 0.08 -0.90 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 2cqo s SER -4 Cb -0.01 -0.60 0.04 0.00 0.10 0.00 0.00 66.02 65.55 2cqo s SER -4 CO -0.06 -0.43 0.19 0.61 0.98 0.00 0.00 173.24 174.53 2cqo n GLY -3 N -1.22 -4.67 0.08 7.32 0.00 -1.26 -5.01 105.19 100.43 2cqo n GLY -3 Ca -0.02 1.39 -0.08 0.00 0.00 0.00 0.00 46.02 47.31 2cqo n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqo n SER -2 N 1.85 1.87 -4.04 1.61 2.88 -1.26 -5.01 113.62 111.52 2cqo n SER -2 Ca -0.32 0.49 -0.18 0.00 -1.33 0.00 0.00 58.87 57.53 2cqo n SER -2 Cb 0.50 -0.82 -0.14 0.00 -0.75 0.00 0.00 64.21 63.00 2cqo n SER -2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cqo s SER -1 N -5.89 1.10 -0.48 -3.46 0.15 -1.26 -5.10 113.70 98.75 2cqo s SER -1 Ca -0.22 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.24 2cqo s SER -1 Cb 0.03 -0.09 0.18 0.00 -1.71 0.00 0.00 66.02 64.43 2cqo s SER -1 CO 0.33 0.06 0.64 -0.83 1.20 0.00 0.00 173.24 174.64 2cqo s GLY 0 N -0.51 -0.84 -0.21 9.45 0.00 -1.26 -4.99 107.32 108.97 2cqo s GLY 0 Ca 0.02 -0.67 0.13 0.00 0.00 0.00 0.00 44.72 44.20 2cqo s GLY 0 CO 0.00 3.39 1.19 1.15 0.00 0.00 0.00 173.10 178.83 2cqo n MET 1 N 3.16 1.95 -2.34 2.90 -0.00 -1.26 -5.06 117.12 116.47 2cqo n MET 1 Ca 0.19 -3.38 -0.41 0.00 -0.00 0.00 0.00 57.70 54.09 2cqo n MET 1 Cb 0.54 -1.56 -0.03 0.00 -0.00 0.00 0.00 33.22 32.17 2cqo n MET 1 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2cqo s ASN 2 N -3.21 7.03 -0.12 3.17 0.01 -1.26 -4.97 114.94 115.59 2cqo s ASN 2 Ca 0.40 2.23 -0.13 0.00 -0.71 0.00 0.00 52.86 54.65 2cqo s ASN 2 Cb 0.38 -2.60 -0.12 0.00 0.41 0.00 0.00 41.25 39.32 2cqo s ASN 2 CO -0.05 -0.44 0.30 0.77 -1.51 0.00 0.00 177.10 176.17 2cqo h SER 3 N 5.67 0.00 0.00 -1.22 4.64 -2.07 -3.51 113.55 117.07 2cqo h SER 3 Ca -0.44 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2cqo h SER 3 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2cqo h SER 3 CO 0.77 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 2cqo n GLY 4 N 1.68 -0.31 3.18 -0.77 0.00 -1.26 -5.15 105.19 102.56 2cqo n GLY 4 Ca -0.06 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 2cqo n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cqo s ARG 5 N 0.00 0.45 0.24 1.61 0.52 -1.26 -5.05 118.95 115.46 2cqo s ARG 5 Ca 0.00 0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 2cqo s ARG 5 Cb 0.00 0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.58 2cqo s ARG 5 CO 0.00 -0.09 1.28 -1.25 0.02 0.00 0.00 175.30 175.26 2cqo s PRO 6 N -0.49 4.42 -0.42 3.54 0.04 -1.26 -5.01 135.00 135.82 2cqo s PRO 6 Ca -0.06 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.95 2cqo s PRO 6 Cb -0.04 -3.17 0.09 0.00 0.04 0.00 0.00 34.50 31.42 2cqo s PRO 6 CO 0.02 -0.18 0.26 -1.21 0.04 0.00 0.00 177.00 175.93 2cqo s GLU 7 N -0.62 2.49 0.50 4.56 0.41 -1.26 -4.90 118.70 119.88 2cqo s GLU 7 Ca 0.53 -1.56 0.04 0.00 -0.41 0.00 0.00 54.97 53.57 2cqo s GLU 7 Cb -0.36 -3.76 -0.01 0.00 -1.78 0.00 0.00 34.13 28.22 2cqo s GLU 7 CO 0.42 -1.00 0.15 -0.08 -0.49 0.00 0.00 175.26 174.25 2cqo s THR 8 N 1.37 1.55 0.51 3.63 -1.32 -1.26 -4.97 115.64 115.15 2cqo s THR 8 Ca 0.04 -1.80 0.46 0.00 -1.21 0.00 0.00 61.69 59.18 2cqo s THR 8 Cb -0.23 -2.35 0.68 0.00 -1.51 0.00 0.00 72.50 69.09 2cqo s THR 8 CO 0.01 0.00 1.46 1.15 -2.21 0.00 0.00 174.62 175.03 2cqo n MET 9 N -1.39 -0.00 -4.24 7.08 0.00 -1.26 -4.34 117.12 112.96 2cqo n MET 9 Ca -0.10 1.03 -0.25 0.00 0.00 0.00 0.00 57.70 58.38 2cqo n MET 9 Cb 0.66 -2.34 -0.08 0.00 0.00 0.00 0.00 33.22 31.45 2cqo n MET 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2cqo s GLU 10 N -4.77 2.17 -0.20 3.17 2.02 -1.26 -5.02 118.70 114.81 2cqo s GLU 10 Ca -0.05 -1.82 0.07 0.00 0.02 0.00 0.00 54.97 53.20 2cqo s GLU 10 Cb 0.25 -1.94 0.52 0.00 0.10 0.00 0.00 34.13 33.06 2cqo s GLU 10 CO 0.83 -0.02 1.41 -1.71 0.02 0.00 0.00 175.26 175.80 2cqo n ASN 11 N -1.12 4.00 -4.74 -0.19 5.15 -1.26 -4.91 115.26 112.19 2cqo n ASN 11 Ca -0.03 -2.75 -0.35 0.00 -0.60 0.00 0.00 54.58 50.86 2cqo n ASN 11 Cb 0.64 -0.65 0.06 0.00 -0.53 0.00 0.00 39.78 39.29 2cqo n ASN 11 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2cqo s LEU 12 N -1.94 3.52 0.00 1.20 1.43 -1.26 -4.77 118.68 116.86 2cqo s LEU 12 Ca 0.37 2.34 -0.07 0.00 -1.03 0.00 0.00 54.13 55.74 2cqo s LEU 12 Cb 0.29 -4.59 0.10 0.00 0.03 0.00 0.00 46.19 42.02 2cqo s LEU 12 CO 0.10 -1.82 0.36 -0.81 0.23 0.00 0.00 176.35 174.40 2cqo n PRO 13 N -2.05 -1.71 -2.63 1.29 -0.04 -1.26 -4.88 135.00 123.72 2cqo n PRO 13 Ca 0.13 -0.57 -0.21 0.00 -0.04 0.00 0.00 63.50 62.81 2cqo n PRO 13 Cb 0.50 -0.53 0.10 0.00 -0.04 0.00 0.00 33.50 33.53 2cqo n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqo n ALA 14 N -3.61 0.51 -1.77 0.55 0.00 -1.26 -4.93 120.51 110.01 2cqo n ALA 14 Ca -0.07 -1.94 -0.37 0.00 0.00 0.00 0.00 53.44 51.07 2cqo n ALA 14 Cb 0.19 0.39 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 2cqo n ALA 14 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2cqo s LEU 15 N 0.00 3.94 -1.49 0.00 2.96 -1.26 -2.77 118.68 120.06 2cqo s LEU 15 Ca 0.62 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.85 2cqo s LEU 15 Cb -0.04 -4.32 0.00 0.00 0.50 0.00 0.00 46.19 42.33 2cqo s LEU 15 CO 0.41 -1.04 0.00 -1.22 -1.32 0.00 0.00 176.35 173.18 2cqo n TYR 16 N -0.72 -0.88 -3.31 5.38 4.01 -0.70 -4.93 117.16 116.02 2cqo n TYR 16 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.44 2cqo n TYR 16 Cb 0.48 -3.14 -0.06 0.00 -0.31 0.00 0.00 39.34 36.32 2cqo n TYR 16 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2cqo s THR 17 N -2.63 5.08 -0.12 -0.72 2.01 -1.12 -4.74 115.64 113.40 2cqo s THR 17 Ca 0.00 1.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.96 2cqo s THR 17 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2cqo s THR 17 CO 0.00 0.39 0.12 -0.63 -0.69 0.00 0.00 174.62 173.80 2cqo s ILE 18 N 0.14 5.29 0.18 1.82 1.01 -1.26 -1.74 121.20 126.65 2cqo s ILE 18 Ca 0.27 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 2cqo s ILE 18 Cb -0.16 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 39.03 2cqo s ILE 18 CO 0.13 0.60 0.48 0.72 0.00 0.00 0.00 174.94 176.87 2cqo s PHE 19 N -0.88 -0.08 -0.27 3.97 -0.12 -0.67 -5.00 117.98 114.93 2cqo s PHE 19 Ca 0.14 -0.26 -0.12 0.00 -0.05 0.00 0.00 56.93 56.63 2cqo s PHE 19 Cb -0.12 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 2cqo s PHE 19 CO 0.03 -0.87 0.25 -1.14 -0.05 0.00 0.00 175.22 173.45 2cqo s GLN 20 N -3.87 3.99 0.18 1.99 0.74 -1.26 -2.13 119.66 119.29 2cqo s GLN 20 Ca 0.09 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.36 2cqo s GLN 20 Cb -0.00 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 2cqo s GLN 20 CO -0.04 -0.19 -0.06 0.20 -0.55 0.00 0.00 175.29 174.66 2cqo s GLY 21 N 1.64 1.27 -0.06 2.59 0.00 -0.61 -4.39 107.32 107.76 2cqo s GLY 21 Ca 0.10 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2cqo s GLY 21 CO 0.10 -1.62 -0.04 1.85 0.00 0.00 0.00 173.10 173.39 2cqo s GLU 22 N -3.80 2.81 0.21 2.90 2.12 -1.18 -0.25 118.70 121.50 2cqo s GLU 22 Ca 0.22 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 2cqo s GLU 22 Cb 0.04 -2.65 -0.10 0.00 0.26 0.00 0.00 34.13 31.68 2cqo s GLU 22 CO 0.04 0.67 1.44 0.08 -0.54 0.00 0.00 175.26 176.95 2cqo s VAL 23 N -0.88 2.79 -0.01 3.70 1.01 -0.87 -1.18 120.40 124.96 2cqo s VAL 23 Ca 0.14 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2cqo s VAL 23 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2cqo s VAL 23 CO 0.03 0.08 0.04 0.00 0.00 0.00 0.00 175.10 175.26 2cqo n ALA 24 N 2.86 2.04 -3.15 5.51 0.00 -0.32 -2.60 120.51 124.87 2cqo n ALA 24 Ca 0.09 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2cqo n ALA 24 Cb 0.40 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.75 2cqo n ALA 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2cqo s MET 25 N -2.14 0.31 -0.13 0.00 1.75 -1.23 -4.93 119.30 112.94 2cqo s MET 25 Ca -0.01 0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 2cqo s MET 25 Cb 0.01 0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.85 2cqo s MET 25 CO 0.10 -0.04 -0.18 0.08 -0.65 0.00 0.00 175.02 174.33 2cqo s VAL 26 N 0.09 1.75 0.20 10.11 1.01 -1.26 -0.99 120.40 131.31 2cqo s VAL 26 Ca -0.00 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2cqo s VAL 26 Cb -0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2cqo s VAL 26 CO 0.00 0.49 -0.07 0.42 0.00 0.00 0.00 175.10 175.95 2cqo s THR 27 N 1.02 1.24 -1.93 3.92 -4.23 0.70 -5.01 115.64 111.34 2cqo s THR 27 Ca -0.04 -2.08 0.20 0.00 -1.18 0.00 0.00 61.69 58.59 2cqo s THR 27 Cb -0.15 -2.11 0.55 0.00 1.34 0.00 0.00 72.50 72.14 2cqo s THR 27 CO -0.04 -0.53 1.61 -0.67 -0.54 0.00 0.00 174.62 174.45 2cqo n ASP 28 N -0.34 0.00 -0.10 3.99 2.03 -1.26 -2.03 116.55 118.84 2cqo n ASP 28 Ca -0.08 -0.56 0.01 0.00 0.52 0.00 0.00 54.79 54.68 2cqo n ASP 28 Cb 0.62 -0.03 0.02 0.00 -0.72 0.00 0.00 41.12 41.01 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqo n TYR 29 N -1.03 0.05 -0.97 -0.67 0.18 -1.26 -4.85 117.16 108.61 2cqo n TYR 29 Ca 0.15 -0.32 0.00 0.00 1.88 0.00 0.00 57.90 59.61 2cqo n TYR 29 Cb 0.08 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 2cqo n TYR 29 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2cqo n GLY 30 N -0.16 0.48 3.02 -7.48 0.00 -0.86 -1.01 105.19 99.18 2cqo n GLY 30 Ca 0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 2cqo n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqo s ALA 31 N -1.00 -0.05 -0.22 4.61 0.00 -0.67 -0.22 121.76 124.21 2cqo s ALA 31 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 2cqo s ALA 31 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2cqo s ALA 31 CO 0.00 -0.17 0.34 -0.06 0.00 0.00 0.00 175.76 175.88 2cqo s PHE 32 N -1.32 3.34 -0.16 0.00 0.40 -0.16 -0.27 117.98 119.83 2cqo s PHE 32 Ca -0.14 0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 56.64 2cqo s PHE 32 Cb -0.08 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 2cqo s PHE 32 CO -0.00 -0.02 0.01 0.42 0.70 0.00 0.00 175.22 176.33 2cqo s ILE 33 N 1.36 4.35 -0.14 0.64 -1.09 -0.32 -1.17 121.20 124.83 2cqo s ILE 33 Ca 0.16 -0.20 -0.23 0.00 -2.23 0.00 0.00 60.65 58.15 2cqo s ILE 33 Cb -0.15 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 2cqo s ILE 33 CO 0.07 0.50 0.71 -0.54 -1.23 0.00 0.00 174.94 174.46 2cqo s LYS 34 N 0.15 4.31 0.04 2.79 1.02 -0.32 -2.59 119.74 125.16 2cqo s LYS 34 Ca 0.02 0.83 -0.23 0.00 0.02 0.00 0.00 55.97 56.60 2cqo s LYS 34 Cb -0.13 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.59 2cqo s LYS 34 CO 0.02 -0.16 0.70 0.42 -0.92 0.00 0.00 175.35 175.40 2cqo s ILE 35 N 1.60 4.75 0.11 2.17 1.01 -1.26 -3.10 121.20 126.47 2cqo s ILE 35 Ca 0.35 1.48 -0.31 0.00 0.00 0.00 0.00 60.65 62.17 2cqo s ILE 35 Cb -0.17 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 2cqo s ILE 35 CO 0.13 0.41 1.36 -2.16 0.00 0.00 0.00 174.94 174.69 2cqo s PRO 36 N -0.29 4.33 -0.59 2.79 0.04 -1.26 -2.80 135.00 137.23 2cqo s PRO 36 Ca 0.35 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2cqo s PRO 36 Cb -0.20 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2cqo s PRO 36 CO 0.21 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.25 2cqo n GLY 37 N 3.46 0.58 3.33 0.56 0.00 -1.26 -5.02 105.19 106.83 2cqo n GLY 37 Ca 0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 2cqo n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqo n ARG 39 N -0.45 0.40 -3.97 0.00 5.12 -1.26 -4.87 116.66 111.63 2cqo n ARG 39 Ca -0.03 -0.08 -0.30 0.00 -1.93 0.00 0.00 57.85 55.51 2cqo n ARG 39 Cb 0.65 -1.21 -0.05 0.00 -1.16 0.00 0.00 32.46 30.69 2cqo n ARG 39 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2cqo s LYS 40 N -2.62 3.26 0.18 5.56 2.47 -1.26 -5.08 119.74 122.26 2cqo s LYS 40 Ca -0.03 -0.56 0.11 0.00 -1.56 0.00 0.00 55.97 53.93 2cqo s LYS 40 Cb 0.06 -2.92 -0.04 0.00 -1.46 0.00 0.00 37.83 33.46 2cqo s LYS 40 CO 0.39 0.57 -0.21 -0.65 0.16 0.00 0.00 175.35 175.61 2cqo s GLN 41 N -2.65 1.63 0.09 4.03 -0.21 -1.26 -4.27 119.66 117.02 2cqo s GLN 41 Ca 0.33 -1.45 0.06 0.00 0.02 0.00 0.00 55.36 54.32 2cqo s GLN 41 Cb -0.12 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 2cqo s GLN 41 CO 0.26 0.41 -0.06 0.20 -2.12 0.00 0.00 175.29 173.99 2cqo s GLY 42 N -2.65 1.84 -0.11 3.09 0.00 -1.07 -4.52 107.32 103.91 2cqo s GLY 42 Ca 0.21 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 2cqo s GLY 42 CO 0.11 -1.14 0.16 -2.27 0.00 0.00 0.00 173.10 169.96 2cqo s LEU 43 N -2.17 4.40 -0.37 0.66 2.96 -0.29 -1.18 118.68 122.69 2cqo s LEU 43 Ca 0.23 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.62 2cqo s LEU 43 Cb -0.11 -2.13 0.09 0.00 0.50 0.00 0.00 46.19 44.53 2cqo s LEU 43 CO 0.15 0.40 0.13 -0.69 -1.32 0.00 0.00 176.35 175.02 2cqo s VAL 44 N -1.05 3.18 0.64 1.68 1.01 0.63 -1.91 120.40 124.58 2cqo s VAL 44 Ca 0.16 -1.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.14 2cqo s VAL 44 Cb -0.12 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 2cqo s VAL 44 CO 0.05 -0.49 0.49 1.57 0.00 0.00 0.00 175.10 176.72 2cqo n HIS 45 N 4.60 -0.87 -0.02 5.22 -0.00 -1.26 -1.67 115.22 121.22 2cqo n HIS 45 Ca -0.06 0.39 0.04 0.00 0.46 0.00 0.00 57.72 58.55 2cqo n HIS 45 Cb 0.42 -1.92 0.40 0.00 -0.12 0.00 0.00 29.99 28.77 2cqo n HIS 45 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2cqo h ARG 46 N -0.04 0.59 0.00 1.57 0.11 -1.41 -0.08 114.38 115.12 2cqo h ARG 46 Ca -0.45 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.57 2cqo h ARG 46 Cb 1.38 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 2cqo h ARG 46 CO 0.45 0.39 -0.09 1.79 0.10 0.00 0.00 179.97 182.61 2cqo h THR 47 N 0.61 0.62 0.00 0.08 1.35 -1.87 -2.34 112.91 111.36 2cqo h THR 47 Ca 0.16 -0.39 -0.19 0.00 -0.55 0.00 0.00 66.41 65.45 2cqo h THR 47 Cb -0.07 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 2cqo h THR 47 CO -0.04 0.09 -1.85 1.41 -0.25 0.00 0.00 175.52 174.88 2cqo n HIS 48 N -3.79 0.45 -0.28 4.73 8.25 -0.36 -4.31 115.22 119.91 2cqo n HIS 48 Ca -0.02 0.15 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 2cqo n HIS 48 Cb 0.19 -0.92 0.24 0.00 1.12 0.00 0.00 29.99 30.62 2cqo n HIS 48 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2cqo h MET 49 N 0.00 0.30 -3.67 -0.41 2.07 -0.50 0.67 114.93 113.40 2cqo h MET 49 Ca -0.24 -0.02 -0.10 0.00 -2.07 0.00 0.00 59.70 57.26 2cqo h MET 49 Cb 1.65 -0.07 -0.16 0.00 -1.87 0.00 0.00 31.60 31.15 2cqo h MET 49 CO 0.03 0.20 -0.40 0.45 1.07 0.00 0.00 176.91 178.26 2cqo s SER 50 N -5.21 0.08 -0.07 1.22 0.15 -1.24 -3.95 113.70 104.70 2cqo s SER 50 Ca -0.12 -0.48 -0.10 0.00 0.70 0.00 0.00 55.95 55.94 2cqo s SER 50 Cb 0.23 0.30 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 2cqo s SER 50 CO 0.77 -0.61 0.41 0.77 1.20 0.00 0.00 173.24 175.78 2cqo h SER 51 N 3.25 -0.24 -1.51 5.45 4.64 -1.83 -3.45 113.55 119.86 2cqo h SER 51 Ca -0.33 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 2cqo h SER 51 Cb 1.19 0.06 0.07 0.00 -0.31 0.00 0.00 62.40 63.42 2cqo h SER 51 CO 0.51 0.25 -0.06 0.00 -0.87 0.00 0.00 176.83 176.66 2cqo s ARG 53 N -3.11 3.49 -0.45 0.00 3.52 -1.26 -4.92 118.95 116.21 2cqo s ARG 53 Ca 0.23 2.24 -0.24 0.00 -0.13 0.00 0.00 55.73 57.83 2cqo s ARG 53 Cb -0.04 -4.30 0.03 0.00 -1.56 0.00 0.00 34.95 29.08 2cqo s ARG 53 CO 0.19 -1.70 0.86 0.08 -0.81 0.00 0.00 175.30 173.93 2cqo s VAL 54 N 6.94 4.56 0.03 7.11 1.01 -1.26 -4.83 120.40 133.95 2cqo s VAL 54 Ca 0.96 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.54 2cqo s VAL 54 Cb -0.36 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.63 2cqo s VAL 54 CO 0.37 -0.77 -0.03 -0.67 0.00 0.00 0.00 175.10 174.00 2cqo n ASP 55 N 6.95 0.69 -4.15 3.32 2.03 -1.26 -4.91 116.55 119.22 2cqo n ASP 55 Ca 0.04 0.09 -0.38 0.00 0.52 0.00 0.00 54.79 55.07 2cqo n ASP 55 Cb 0.48 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 2cqo n ASP 55 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cqo s LYS 56 N -2.06 3.37 0.18 -0.67 3.01 -1.26 -4.87 119.74 117.44 2cqo s LYS 56 Ca -0.03 -3.16 0.21 0.00 -1.01 0.00 0.00 55.97 51.98 2cqo s LYS 56 Cb 0.01 -4.05 0.86 0.00 -1.01 0.00 0.00 37.83 33.64 2cqo s LYS 56 CO 0.04 -1.25 1.63 -0.35 0.51 0.00 0.00 175.35 175.92 2cqo n PRO 57 N 2.57 0.13 0.02 -1.68 -0.04 -1.26 -2.03 135.00 132.71 2cqo n PRO 57 Ca 0.20 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.15 2cqo n PRO 57 Cb 0.38 -1.75 0.25 0.00 -0.04 0.00 0.00 33.50 32.33 2cqo n PRO 57 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cqo n SER 58 N -2.00 0.52 0.00 3.54 7.64 -1.26 -3.68 113.62 118.37 2cqo n SER 58 Ca 0.02 -0.11 0.10 0.00 1.01 0.00 0.00 58.87 59.90 2cqo n SER 58 Cb 0.21 0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.51 2cqo n SER 58 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cqo n GLU 59 N -1.66 0.10 0.06 1.43 -0.58 -0.86 -4.27 120.64 114.85 2cqo n GLU 59 Ca 0.05 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.62 2cqo n GLU 59 Cb 0.36 -1.51 -0.14 0.00 -0.57 0.00 0.00 31.44 29.59 2cqo n GLU 59 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2cqo h ILE 60 N 0.00 1.25 -4.44 -3.67 2.04 -1.62 -3.48 117.51 107.59 2cqo h ILE 60 Ca 0.00 -2.92 -0.26 0.00 1.00 0.00 0.00 64.86 62.69 2cqo h ILE 60 Cb 0.57 2.76 -0.13 0.00 -0.74 0.00 0.00 36.82 39.28 2cqo h ILE 60 CO 0.00 0.82 -0.47 0.68 0.00 0.00 0.00 178.15 179.18 2cqo s VAL 61 N -2.63 0.00 0.24 1.67 -7.23 -1.25 -5.15 120.40 106.04 2cqo s VAL 61 Ca -0.06 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.07 2cqo s VAL 61 Cb 0.07 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2cqo s VAL 61 CO 0.85 0.00 0.59 -0.62 -0.31 0.00 0.00 175.10 175.61 2cqo s ASP 62 N -3.18 -0.21 -0.16 4.85 -1.08 -1.26 -4.72 116.67 110.90 2cqo s ASP 62 Ca 0.36 -0.66 -0.29 0.00 -0.52 0.00 0.00 52.55 51.43 2cqo s ASP 62 Cb 0.04 0.64 -0.04 0.00 -1.46 0.00 0.00 42.92 42.10 2cqo s ASP 62 CO 0.15 -1.20 1.77 -0.69 0.52 0.00 0.00 175.17 175.72 2cqo s VAL 63 N -3.94 3.47 0.00 1.11 1.01 -1.26 -2.28 120.40 118.52 2cqo s VAL 63 Ca 0.14 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2cqo s VAL 63 Cb -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2cqo s VAL 63 CO 0.05 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.58 2cqo n GLY 64 N 4.76 2.21 3.70 4.51 0.00 -1.07 -5.01 105.19 114.28 2cqo n GLY 64 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2cqo n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cqo s ASP 65 N -1.97 6.98 0.01 1.61 1.11 -0.96 -4.84 116.67 118.62 2cqo s ASP 65 Ca 0.00 1.19 -0.22 0.00 0.18 0.00 0.00 52.55 53.70 2cqo s ASP 65 Cb 0.00 -2.43 -0.05 0.00 1.07 0.00 0.00 42.92 41.51 2cqo s ASP 65 CO 0.00 -0.22 0.65 -0.75 1.18 0.00 0.00 175.17 176.03 2cqo s LYS 66 N 1.30 4.38 0.05 8.23 2.47 -1.26 -2.06 119.74 132.84 2cqo s LYS 66 Ca 0.38 0.85 -0.02 0.00 -1.56 0.00 0.00 55.97 55.62 2cqo s LYS 66 Cb -0.17 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 32.82 2cqo s LYS 66 CO 0.17 0.34 0.01 0.14 0.16 0.00 0.00 175.35 176.17 2cqo s VAL 67 N -0.16 0.18 -0.01 4.02 -7.23 0.65 -4.98 120.40 112.88 2cqo s VAL 67 Ca 0.34 -1.49 -0.15 0.00 -1.81 0.00 0.00 61.98 58.87 2cqo s VAL 67 Cb -0.19 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 2cqo s VAL 67 CO 0.19 -0.82 0.42 0.26 -0.31 0.00 0.00 175.10 174.84 2cqo s TRP 68 N -3.27 3.72 0.07 2.82 0.52 -1.26 -1.57 118.94 119.97 2cqo s TRP 68 Ca 0.01 1.00 -0.05 0.00 0.02 0.00 0.00 56.10 57.07 2cqo s TRP 68 Cb 0.03 -2.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 2cqo s TRP 68 CO -0.08 0.61 0.09 0.14 0.02 0.00 0.00 176.95 177.74 2cqo s VAL 69 N -0.97 0.17 -0.04 4.03 -7.23 -0.91 -4.63 120.40 110.83 2cqo s VAL 69 Ca 0.24 -1.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2cqo s VAL 69 Cb -0.17 -1.35 0.01 0.00 0.56 0.00 0.00 36.38 35.43 2cqo s VAL 69 CO 0.13 -0.78 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.46 2cqo s LYS 70 N -3.73 1.17 0.26 4.82 -2.85 -0.80 -1.68 119.74 116.93 2cqo s LYS 70 Ca 0.05 -0.31 -0.31 0.00 -1.00 0.00 0.00 55.97 54.40 2cqo s LYS 70 Cb 0.05 -1.06 -0.11 0.00 -2.06 0.00 0.00 37.83 34.65 2cqo s LYS 70 CO -0.10 0.06 1.63 -1.17 0.10 0.00 0.00 175.35 175.87 2cqo s LEU 71 N 0.45 4.36 -0.04 2.77 2.96 -0.71 -1.71 118.68 126.75 2cqo s LEU 71 Ca -0.08 2.89 0.07 0.00 -0.22 0.00 0.00 54.13 56.80 2cqo s LEU 71 Cb -0.12 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 2cqo s LEU 71 CO 0.01 -0.92 0.10 2.30 -1.32 0.00 0.00 176.35 176.52 2cqo n ILE 72 N 2.86 0.23 -3.64 6.68 -5.35 -0.82 -1.72 119.36 117.61 2cqo n ILE 72 Ca 0.11 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 2cqo n ILE 72 Cb 0.37 -0.22 -0.07 0.00 -1.74 0.00 0.00 39.64 37.98 2cqo n ILE 72 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2cqo s GLY 73 N -3.36 0.02 -0.19 3.28 0.00 -1.24 -4.89 107.32 100.94 2cqo s GLY 73 Ca -0.03 3.00 -0.03 0.00 0.00 0.00 0.00 44.72 47.66 2cqo s GLY 73 CO 0.31 2.05 -0.05 0.50 0.00 0.00 0.00 173.10 175.91 2cqo s ARG 74 N 0.45 3.47 -0.07 2.90 0.52 -1.26 -2.03 118.95 122.93 2cqo s ARG 74 Ca 0.01 -0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2cqo s ARG 74 Cb -0.05 -2.92 0.04 0.00 0.52 0.00 0.00 34.95 32.54 2cqo s ARG 74 CO -0.10 -0.00 0.14 -1.21 0.02 0.00 0.00 175.30 174.14 2cqo s GLU 75 N 0.97 0.03 -0.12 3.54 0.41 -0.72 -5.06 118.70 117.76 2cqo s GLU 75 Ca -0.00 0.46 0.02 0.00 -0.41 0.00 0.00 54.97 55.04 2cqo s GLU 75 Cb -0.15 -0.27 -0.00 0.00 -1.78 0.00 0.00 34.13 31.93 2cqo s GLU 75 CO 0.00 -0.26 -0.20 0.00 -0.49 0.00 0.00 175.26 174.32 2cqo s MET 76 N 1.86 3.15 0.12 1.61 0.23 -1.26 0.52 119.30 125.52 2cqo s MET 76 Ca -0.01 -0.81 0.04 0.00 -1.03 0.00 0.00 55.69 53.87 2cqo s MET 76 Cb -0.12 -2.44 -0.04 0.00 -1.53 0.00 0.00 34.83 30.70 2cqo s MET 76 CO -0.05 0.14 0.12 0.21 -2.03 0.00 0.00 175.02 173.41 2cqo s LYS 77 N 0.46 2.93 0.25 3.16 2.47 0.11 -4.92 119.74 124.20 2cqo s LYS 77 Ca -0.14 -0.77 0.16 0.00 -1.56 0.00 0.00 55.97 53.67 2cqo s LYS 77 Cb -0.17 -2.71 0.89 0.00 -1.46 0.00 0.00 37.83 34.38 2cqo s LYS 77 CO 0.06 0.53 1.49 0.09 0.16 0.00 0.00 175.35 177.67 2cqo n ASN 78 N 0.03 0.42 -0.08 1.43 3.02 -1.26 -0.96 115.26 117.87 2cqo n ASN 78 Ca -0.08 0.68 -0.11 0.00 -0.03 0.00 0.00 54.58 55.04 2cqo n ASN 78 Cb 0.53 -0.73 -0.15 0.00 -0.61 0.00 0.00 39.78 38.82 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2cqo n ASP 79 N -2.08 0.44 -3.61 6.41 9.92 -1.26 -5.04 116.55 121.33 2cqo n ASP 79 Ca -0.01 0.09 -0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2cqo n ASP 79 Cb 0.06 0.57 -0.03 0.00 -0.64 0.00 0.00 41.12 41.08 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cqo s ARG 80 N -2.52 0.24 0.00 -1.24 1.70 -0.13 -5.15 118.95 111.85 2cqo s ARG 80 Ca -0.11 -0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 54.88 2cqo s ARG 80 Cb 0.07 0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 2cqo s ARG 80 CO 0.81 -0.10 0.64 0.42 -1.08 0.00 0.00 175.30 175.99 2cqo s ILE 81 N -1.97 4.88 -0.12 4.99 1.01 -1.26 0.08 121.20 128.81 2cqo s ILE 81 Ca 0.09 1.35 0.02 0.00 0.00 0.00 0.00 60.65 62.11 2cqo s ILE 81 Cb -0.01 -3.98 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 2cqo s ILE 81 CO -0.04 0.39 -0.19 -0.54 0.00 0.00 0.00 174.94 174.55 2cqo s LYS 82 N -0.08 3.17 -0.09 2.79 -0.14 0.18 -4.90 119.74 120.68 2cqo s LYS 82 Ca 0.33 -0.80 0.03 0.00 -1.36 0.00 0.00 55.97 54.17 2cqo s LYS 82 Cb -0.19 -2.46 0.01 0.00 -1.68 0.00 0.00 37.83 33.51 2cqo s LYS 82 CO 0.19 0.15 -0.19 0.08 -0.76 0.00 0.00 175.35 174.82 2cqo s VAL 83 N 0.45 1.67 -0.23 3.17 1.01 -1.26 -1.75 120.40 123.46 2cqo s VAL 83 Ca -0.14 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2cqo s VAL 83 Cb -0.17 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2cqo s VAL 83 CO 0.06 0.47 0.14 -0.44 0.00 0.00 0.00 175.10 175.33 2cqo s SER 84 N 0.58 6.01 0.14 3.32 0.01 -0.86 -1.14 113.70 121.77 2cqo s SER 84 Ca -0.15 0.10 0.09 0.00 1.31 0.00 0.00 55.95 57.30 2cqo s SER 84 Cb -0.17 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2cqo s SER 84 CO 0.05 0.08 -0.20 -0.76 0.41 0.00 0.00 173.24 172.82 2cqo s LEU 85 N 0.97 2.38 0.13 2.44 1.43 -0.80 -1.94 118.68 123.27 2cqo s LEU 85 Ca 0.07 -0.78 0.10 0.00 -1.03 0.00 0.00 54.13 52.49 2cqo s LEU 85 Cb -0.13 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 2cqo s LEU 85 CO 0.04 0.02 -0.26 -0.55 0.23 0.00 0.00 176.35 175.83 2cqo s SER 86 N -2.33 3.15 0.00 2.29 0.15 -0.69 -4.28 113.70 111.99 2cqo s SER 86 Ca 0.12 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2cqo s SER 86 Cb -0.08 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 2cqo s SER 86 CO 0.06 0.15 0.00 0.23 1.20 0.00 0.00 173.24 174.88 2cqo n MET 87 N 0.93 0.84 0.04 5.44 2.81 -1.17 -1.90 117.12 124.11 2cqo n MET 87 Ca -0.18 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.77 2cqo n MET 87 Cb 0.53 -0.94 0.30 0.00 -0.71 0.00 0.00 33.22 32.40 2cqo n MET 87 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2cqo n LYS 88 N -2.25 0.05 -0.53 0.03 2.85 0.23 -1.45 118.16 117.10 2cqo n LYS 88 Ca 0.00 0.38 0.08 0.00 -1.05 0.00 0.00 58.31 57.72 2cqo n LYS 88 Cb 0.44 -1.62 0.29 0.00 -0.65 0.00 0.00 35.03 33.49 2cqo n LYS 88 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2cqo n VAL 89 N -1.72 2.17 -3.81 0.58 0.24 -1.26 -4.82 118.33 109.70 2cqo n VAL 89 Ca 0.02 -1.58 -0.12 0.00 -2.04 0.00 0.00 64.34 60.62 2cqo n VAL 89 Cb 0.13 -0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.27 2cqo n VAL 89 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2cqo s VAL 90 N -2.45 0.02 0.02 3.34 1.01 -0.53 -2.49 120.40 119.32 2cqo s VAL 90 Ca 0.44 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2cqo s VAL 90 Cb 0.33 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.34 2cqo s VAL 90 CO 0.13 -0.08 1.29 0.21 0.00 0.00 0.00 175.10 176.65 2cqo s ASN 91 N -0.21 6.97 -0.42 3.32 3.84 -0.81 -4.88 114.94 122.76 2cqo s ASN 91 Ca -0.03 2.03 -0.03 0.00 0.21 0.00 0.00 52.86 55.04 2cqo s ASN 91 Cb -0.03 -2.57 0.08 0.00 -0.55 0.00 0.00 41.25 38.19 2cqo s ASN 91 CO 0.01 -0.60 2.66 0.00 -2.79 0.00 0.00 177.10 176.38 2cqo n GLN 92 N 4.70 2.29 0.00 0.43 1.13 -1.26 -2.47 117.38 122.19 2cqo n GLN 92 Ca 0.11 -2.17 0.00 0.00 -1.94 0.00 0.00 57.00 53.00 2cqo n GLN 92 Cb 0.45 -2.05 0.00 0.00 0.11 0.00 0.00 30.24 28.75 2cqo n GLN 92 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2cqo n GLY 93 N 0.82 0.28 0.00 1.08 0.00 -1.26 -4.90 105.19 101.20 2cqo n GLY 93 Ca 0.46 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.33 2cqo n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqo n THR 94 N -1.34 0.02 -1.49 2.61 -2.24 -1.26 -5.02 114.28 105.55 2cqo n THR 94 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2cqo n THR 94 Cb 0.00 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2cqo n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqo n GLY 95 N 2.38 0.42 3.77 3.38 0.00 -1.03 -5.04 105.19 109.07 2cqo n GLY 95 Ca -0.01 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 2cqo n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqo s LYS 96 N -3.01 4.13 0.08 1.61 2.20 -1.26 -4.79 119.74 118.70 2cqo s LYS 96 Ca 0.00 0.29 -0.33 0.00 -0.36 0.00 0.00 55.97 55.57 2cqo s LYS 96 Cb 0.00 -3.35 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 2cqo s LYS 96 CO 0.00 0.39 1.78 -3.47 -0.36 0.00 0.00 175.35 173.69 2cqo n ASP 97 N 2.97 3.63 -0.02 1.43 -0.08 -1.26 -1.92 116.55 121.30 2cqo n ASP 97 Ca -0.12 1.01 -0.08 0.00 -1.51 0.00 0.00 54.79 54.09 2cqo n ASP 97 Cb 0.52 -1.47 -0.14 0.00 2.34 0.00 0.00 41.12 42.38 2cqo n ASP 97 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cqo n LEU 98 N 5.34 0.89 -3.56 -2.67 4.77 -1.04 -4.58 117.00 116.15 2cqo n LEU 98 Ca 0.19 0.42 -0.27 0.00 -0.03 0.00 0.00 56.01 56.32 2cqo n LEU 98 Cb 0.33 0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2cqo n LEU 98 CO 0.67 0.37 -0.15 -0.67 -1.33 0.00 0.00 177.39 176.29 2cqo n ASP 99 N -3.04 1.56 0.00 -1.43 2.03 -1.25 -4.93 116.55 109.50 2cqo n ASP 99 Ca -0.16 -2.89 0.08 0.00 0.52 0.00 0.00 54.79 52.33 2cqo n ASP 99 Cb 1.04 -0.66 0.46 0.00 -0.72 0.00 0.00 41.12 41.24 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2cqo n PRO 100 N 2.01 0.48 0.11 -0.67 -0.04 -1.26 -2.40 135.00 133.22 2cqo n PRO 100 Ca 0.25 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 2cqo n PRO 100 Cb 0.43 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 2cqo n PRO 100 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2cqo h ASN 101 N 0.00 0.00 -6.45 3.54 2.35 -1.99 -3.48 115.58 109.56 2cqo h ASN 101 Ca 0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 2cqo h ASN 101 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2cqo h ASN 101 CO 0.00 0.55 -0.89 0.59 -1.65 0.00 0.00 177.43 176.04 2cqo n ASN 102 N -3.15 -0.72 -0.00 5.81 3.02 -1.01 -4.87 115.26 114.33 2cqo n ASN 102 Ca -0.01 -1.00 0.04 0.00 -0.03 0.00 0.00 54.58 53.59 2cqo n ASN 102 Cb 0.77 -3.14 -0.06 0.00 -0.61 0.00 0.00 39.78 36.74 2cqo n ASN 102 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2cqo n VAL 103 N -4.38 0.00 -0.02 2.41 3.14 -1.26 -4.59 118.33 113.62 2cqo n VAL 103 Ca -0.30 -0.19 -0.16 0.00 -2.96 0.00 0.00 64.34 60.74 2cqo n VAL 103 Cb 0.68 0.34 -0.12 0.00 -1.06 0.00 0.00 33.84 33.68 2cqo n VAL 103 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2cqo h ILE 104 N 0.00 1.59 -0.08 1.55 5.03 -1.89 -2.61 117.51 121.10 2cqo h ILE 104 Ca 0.00 -2.13 0.02 0.00 -0.12 0.00 0.00 64.86 62.63 2cqo h ILE 104 Cb 0.35 2.97 -0.00 0.00 -3.03 0.00 0.00 36.82 37.11 2cqo h ILE 104 CO 0.00 0.58 0.24 0.16 -0.68 0.00 0.00 178.15 178.45 2cqo h ILE 105 N -0.58 0.14 0.00 -0.67 -0.00 -1.99 -2.70 117.51 111.72 2cqo h ILE 105 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.79 2cqo h ILE 105 Cb 1.12 0.78 -0.00 0.00 -0.00 0.00 0.00 36.82 38.71 2cqo h ILE 105 CO 0.06 0.00 -0.44 -0.08 -0.00 0.00 0.00 178.15 177.69 2cqo h GLU 106 N 0.00 0.00 -6.53 0.16 4.57 -1.80 -3.44 114.58 107.53 2cqo h GLU 106 Ca 0.04 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.67 2cqo h GLU 106 Cb 0.51 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 2cqo h GLU 106 CO -0.00 0.17 1.01 -1.12 -1.18 0.00 0.00 179.01 177.89 2cqo s SER 107 N -5.84 6.36 0.00 1.04 0.01 -0.99 -4.82 113.70 109.46 2cqo s SER 107 Ca -0.13 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2cqo s SER 107 Cb 0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2cqo s SER 107 CO 0.23 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 172.95 2cqo n GLY 108 N 5.12 0.49 3.64 3.44 0.00 -1.26 -4.77 105.19 111.84 2cqo n GLY 108 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2cqo n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqo s PRO 109 N 0.00 -0.39 -0.11 1.61 0.04 -1.26 -5.08 135.00 129.81 2cqo s PRO 109 Ca 0.00 0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 2cqo s PRO 109 Cb 0.00 -1.67 0.05 0.00 0.04 0.00 0.00 34.50 32.92 2cqo s PRO 109 CO 0.00 -3.22 0.25 0.45 0.04 0.00 0.00 177.00 174.52 2cqo s SER 110 N -3.66 -0.06 -0.02 6.66 0.15 -1.26 -5.15 113.70 110.36 2cqo s SER 110 Ca 0.68 0.53 -0.29 0.00 0.70 0.00 0.00 55.95 57.57 2cqo s SER 110 Cb -0.15 0.48 0.10 0.00 -1.71 0.00 0.00 66.02 64.75 2cqo s SER 110 CO 0.57 -0.19 0.90 -0.44 1.20 0.00 0.00 173.24 175.28 2cqo s SER 111 N 1.61 -0.36 0.00 5.45 0.01 -1.26 -5.35 113.70 113.80 2cqo s SER 111 Ca -0.06 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2cqo s SER 111 Cb -0.11 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2cqo s SER 111 CO -0.08 -0.60 0.21 0.61 0.41 0.00 0.00 173.24 173.78