#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqo n SER -5 N 0.00 1.79 -4.07 1.61 3.41 -1.26 -4.95 113.62 110.15 2cqo n SER -5 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2cqo n SER -5 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2cqo n SER -5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cqo s SER -4 N -3.56 5.48 0.00 4.04 1.04 -1.26 -5.02 113.70 114.42 2cqo s SER -4 Ca 0.00 -3.41 0.00 0.00 0.48 0.00 0.00 55.95 53.02 2cqo s SER -4 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2cqo s SER -4 CO 0.00 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2cqo n GLY -3 N 2.71 -2.51 3.49 7.32 0.00 -1.26 -5.12 105.19 109.82 2cqo n GLY -3 Ca 0.16 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 2cqo n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqo s SER -2 N -0.28 5.24 -0.16 1.61 0.01 -1.26 -4.86 113.70 114.01 2cqo s SER -2 Ca 0.00 -0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 2cqo s SER -2 Cb 0.00 -1.93 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 2cqo s SER -2 CO 0.00 0.02 -0.04 -0.94 0.41 0.00 0.00 173.24 172.69 2cqo s SER -1 N 1.27 4.72 0.11 2.44 1.04 -1.26 -4.99 113.70 117.03 2cqo s SER -1 Ca 0.05 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2cqo s SER -1 Cb -0.15 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2cqo s SER -1 CO 0.03 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2cqo n GLY 0 N 3.64 -0.08 0.32 7.32 0.00 -1.26 -4.83 105.19 110.30 2cqo n GLY 0 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.90 2cqo n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cqo n MET 1 N -3.24 -0.09 -1.49 1.61 2.81 -1.26 -4.50 117.12 110.96 2cqo n MET 1 Ca 0.00 1.40 -0.58 0.00 -1.81 0.00 0.00 57.70 56.71 2cqo n MET 1 Cb 0.00 -2.09 -0.08 0.00 -0.71 0.00 0.00 33.22 30.34 2cqo n MET 1 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2cqo n ASN 2 N -5.46 0.42 -4.40 7.83 4.13 -1.26 -4.88 115.26 111.65 2cqo n ASN 2 Ca 0.14 1.10 -0.44 0.00 1.68 0.00 0.00 54.58 57.05 2cqo n ASN 2 Cb 0.44 -0.85 -0.08 0.00 -1.54 0.00 0.00 39.78 37.76 2cqo n ASN 2 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2cqo s SER 3 N 1.06 6.15 0.00 6.41 1.04 -1.26 -4.94 113.70 122.15 2cqo s SER 3 Ca 0.90 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2cqo s SER 3 Cb -1.27 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 62.67 2cqo s SER 3 CO 0.62 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2cqo n GLY 4 N 5.20 3.09 3.06 7.32 0.00 -1.26 -5.13 105.19 117.46 2cqo n GLY 4 Ca -0.12 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 2cqo n GLY 4 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2cqo s ARG 5 N -3.73 0.30 0.90 1.61 3.03 -1.26 -5.16 118.95 114.64 2cqo s ARG 5 Ca 0.00 -0.04 -0.12 0.00 2.03 0.00 0.00 55.73 57.60 2cqo s ARG 5 Cb 0.00 0.13 0.13 0.00 -1.03 0.00 0.00 34.95 34.18 2cqo s ARG 5 CO 0.00 -0.06 1.09 -1.25 -1.13 0.00 0.00 175.30 173.96 2cqo s PRO 6 N -0.52 1.19 -0.34 3.89 0.04 -1.26 -4.89 135.00 133.12 2cqo s PRO 6 Ca -0.06 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 61.50 2cqo s PRO 6 Cb -0.04 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2cqo s PRO 6 CO 0.01 -2.28 2.27 -1.21 0.04 0.00 0.00 177.00 175.83 2cqo s GLU 7 N -4.94 2.72 0.18 4.56 8.01 -1.26 -4.94 118.70 123.04 2cqo s GLU 7 Ca 0.64 1.74 0.05 0.00 0.01 0.00 0.00 54.97 57.41 2cqo s GLU 7 Cb -0.18 -4.45 -0.05 0.00 -4.31 0.00 0.00 34.13 25.14 2cqo s GLU 7 CO 0.57 -2.57 -0.10 0.95 0.01 0.00 0.00 175.26 174.12 2cqo s THR 8 N 9.82 1.32 -0.83 3.63 -4.23 -1.26 -5.05 115.64 119.04 2cqo s THR 8 Ca 0.98 -2.10 -0.22 0.00 -1.18 0.00 0.00 61.69 59.17 2cqo s THR 8 Cb -0.26 -1.98 -0.20 0.00 1.34 0.00 0.00 72.50 71.40 2cqo s THR 8 CO 0.31 -0.64 2.41 0.80 -0.54 0.00 0.00 174.62 176.97 2cqo n MET 9 N -0.29 0.37 -0.67 3.99 1.56 -1.26 -4.70 117.12 116.13 2cqo n MET 9 Ca -0.09 -0.22 0.00 0.00 -0.27 0.00 0.00 57.70 57.12 2cqo n MET 9 Cb 0.61 -2.36 0.22 0.00 2.15 0.00 0.00 33.22 33.84 2cqo n MET 9 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2cqo n GLU 10 N 7.85 2.22 -0.03 2.12 0.28 -1.26 -4.65 120.64 127.17 2cqo n GLU 10 Ca 0.55 -3.04 -0.14 0.00 -0.16 0.00 0.00 57.16 54.37 2cqo n GLU 10 Cb 0.28 -1.83 -0.09 0.00 1.43 0.00 0.00 31.44 31.23 2cqo n GLU 10 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2cqo h ASN 11 N 1.25 0.33 -3.40 -1.84 4.21 -1.95 -3.45 115.58 110.72 2cqo h ASN 11 Ca 0.15 -0.62 -0.55 0.00 1.21 0.00 0.00 56.30 56.49 2cqo h ASN 11 Cb 1.60 -0.10 0.20 0.00 -1.12 0.00 0.00 38.32 38.90 2cqo h ASN 11 CO 0.34 0.90 -0.36 0.18 -1.29 0.00 0.00 177.43 177.19 2cqo n LEU 12 N -4.50 0.95 0.00 1.61 4.77 -1.26 -4.85 117.00 113.71 2cqo n LEU 12 Ca -0.08 0.50 -0.06 0.00 -0.03 0.00 0.00 56.01 56.35 2cqo n LEU 12 Cb 0.45 -1.25 0.05 0.00 -2.33 0.00 0.00 43.42 40.34 2cqo n LEU 12 CO 0.40 -3.10 0.11 -0.81 -1.33 0.00 0.00 177.39 172.66 2cqo n PRO 13 N -1.37 -1.42 -2.69 3.23 -0.04 -1.26 -5.07 135.00 126.38 2cqo n PRO 13 Ca 0.09 -0.32 -0.21 0.00 -0.04 0.00 0.00 63.50 63.02 2cqo n PRO 13 Cb 0.51 -0.30 0.05 0.00 -0.04 0.00 0.00 33.50 33.72 2cqo n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cqo s ALA 14 N -2.98 3.98 0.35 0.55 0.00 -1.26 -5.03 121.76 117.37 2cqo s ALA 14 Ca 0.13 -1.48 -0.28 0.00 0.00 0.00 0.00 51.96 50.33 2cqo s ALA 14 Cb -0.01 -1.98 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 2cqo s ALA 14 CO 0.10 -0.82 1.32 -1.17 0.00 0.00 0.00 175.76 175.19 2cqo s LEU 15 N -4.77 4.38 -1.52 0.00 2.96 -1.26 -2.47 118.68 115.99 2cqo s LEU 15 Ca 0.59 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.20 2cqo s LEU 15 Cb -0.09 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 42.90 2cqo s LEU 15 CO 0.39 -0.61 0.00 -1.22 -1.32 0.00 0.00 176.35 173.58 2cqo n TYR 16 N 0.64 -0.53 -3.32 5.38 4.01 -0.45 -4.98 117.16 117.92 2cqo n TYR 16 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 2cqo n TYR 16 Cb 0.42 -3.18 -0.06 0.00 -0.31 0.00 0.00 39.34 36.21 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 -2.75 5.01 -0.21 -0.72 2.01 -1.03 -4.77 115.64 113.17 2cqo s THR 17 Ca 0.00 1.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.95 2cqo s THR 17 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2cqo s THR 17 CO 0.00 0.44 0.12 -0.63 -0.69 0.00 0.00 174.62 173.86 2cqo s ILE 18 N -0.24 5.19 0.17 1.82 1.01 -1.26 -1.86 121.20 126.03 2cqo s ILE 18 Ca 0.27 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 2cqo s ILE 18 Cb -0.17 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 2cqo s ILE 18 CO 0.14 0.40 0.34 0.72 0.00 0.00 0.00 174.94 176.54 2cqo s PHE 19 N 0.68 0.27 -0.20 3.97 -0.12 -0.88 -5.02 117.98 116.69 2cqo s PHE 19 Ca 0.06 -0.64 -0.09 0.00 -0.05 0.00 0.00 56.93 56.22 2cqo s PHE 19 Cb -0.12 0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 2cqo s PHE 19 CO 0.01 -0.76 0.12 -1.14 -0.05 0.00 0.00 175.22 173.40 2cqo s GLN 20 N -3.94 4.11 0.14 1.99 0.74 -1.26 -1.78 119.66 119.66 2cqo s GLN 20 Ca 0.15 -0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.31 2cqo s GLN 20 Cb 0.02 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 2cqo s GLN 20 CO -0.01 0.25 0.00 0.20 -0.55 0.00 0.00 175.29 175.19 2cqo s GLY 21 N 0.47 1.04 -0.06 2.59 0.00 -0.23 -4.18 107.32 106.95 2cqo s GLY 21 Ca 0.07 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.30 2cqo s GLY 21 CO -0.01 -1.46 -0.07 1.85 0.00 0.00 0.00 173.10 173.42 2cqo s GLU 22 N -3.94 2.71 0.12 2.90 2.12 -1.10 -0.67 118.70 120.85 2cqo s GLU 22 Ca 0.21 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 54.65 2cqo s GLU 22 Cb 0.06 -2.57 -0.08 0.00 0.26 0.00 0.00 34.13 31.80 2cqo s GLU 22 CO 0.01 0.65 1.45 0.08 -0.54 0.00 0.00 175.26 176.91 2cqo s VAL 23 N -0.84 3.12 -0.01 3.70 1.01 -0.81 -0.16 120.40 126.40 2cqo s VAL 23 Ca 0.13 0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.95 2cqo s VAL 23 Cb -0.11 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 2cqo s VAL 23 CO 0.02 0.06 0.09 0.00 0.00 0.00 0.00 175.10 175.27 2cqo n ALA 24 N 4.06 2.12 -3.22 5.51 0.00 -0.24 -1.82 120.51 126.92 2cqo n ALA 24 Ca 0.12 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2cqo n ALA 24 Cb 0.41 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.29 0.33 -0.14 0.00 1.75 -1.23 -4.90 119.30 112.82 2cqo s MET 25 Ca -0.02 0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.86 2cqo s MET 25 Cb 0.03 0.14 0.01 0.00 2.84 0.00 0.00 34.83 37.85 2cqo s MET 25 CO 0.19 -0.05 -0.20 0.08 -0.65 0.00 0.00 175.02 174.39 2cqo s VAL 26 N 0.26 1.96 0.23 10.11 1.01 -1.26 -0.18 120.40 132.53 2cqo s VAL 26 Ca -0.01 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2cqo s VAL 26 Cb -0.03 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2cqo s VAL 26 CO -0.01 0.53 -0.15 0.42 0.00 0.00 0.00 175.10 175.89 2cqo s THR 27 N 0.95 1.93 -2.00 3.92 -4.23 0.16 -5.00 115.64 111.37 2cqo s THR 27 Ca -0.04 -2.26 0.17 0.00 -1.18 0.00 0.00 61.69 58.38 2cqo s THR 27 Cb -0.15 -2.14 0.49 0.00 1.34 0.00 0.00 72.50 72.04 2cqo s THR 27 CO -0.04 -0.52 1.45 -0.67 -0.54 0.00 0.00 174.62 174.29 2cqo n ASP 28 N -0.46 0.00 0.00 3.99 2.03 -1.26 -2.09 116.55 118.76 2cqo n ASP 28 Ca -0.07 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.53 2cqo n ASP 28 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.93 0.00 -1.99 -0.67 0.18 -1.26 -4.81 117.16 107.67 2cqo n TYR 29 Ca 0.13 -0.33 0.00 0.00 1.88 0.00 0.00 57.90 59.58 2cqo n TYR 29 Cb 0.06 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 38.99 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 -0.33 -0.18 3.11 -7.48 0.00 -0.89 -1.72 105.19 97.70 2cqo n GLY 30 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.36 -0.14 4.61 0.00 -0.70 0.37 121.76 124.54 2cqo s ALA 31 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 2cqo s ALA 31 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2cqo s ALA 31 CO 0.00 -0.20 0.42 -0.06 0.00 0.00 0.00 175.76 175.92 2cqo s PHE 32 N -1.24 3.48 -0.12 0.00 0.40 0.75 -0.09 117.98 121.17 2cqo s PHE 32 Ca -0.13 0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 56.98 2cqo s PHE 32 Cb -0.07 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 2cqo s PHE 32 CO 0.02 0.17 -0.11 0.42 0.70 0.00 0.00 175.22 176.42 2cqo s ILE 33 N 0.65 3.28 -0.13 0.64 -1.09 -0.24 -1.07 121.20 123.23 2cqo s ILE 33 Ca 0.23 -0.60 -0.25 0.00 -2.23 0.00 0.00 60.65 57.80 2cqo s ILE 33 Cb -0.14 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 2cqo s ILE 33 CO 0.08 0.54 0.80 -0.54 -1.23 0.00 0.00 174.94 174.59 2cqo s LYS 34 N 0.09 4.35 0.02 2.79 1.02 0.77 -2.51 119.74 126.27 2cqo s LYS 34 Ca -0.04 1.00 -0.21 0.00 0.02 0.00 0.00 55.97 56.74 2cqo s LYS 34 Cb -0.14 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.58 2cqo s LYS 34 CO 0.04 -0.21 0.61 0.42 -0.92 0.00 0.00 175.35 175.30 2cqo s ILE 35 N 1.72 4.84 0.21 2.17 1.01 -1.26 -2.72 121.20 127.17 2cqo s ILE 35 Ca 0.39 1.29 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 2cqo s ILE 35 Cb -0.17 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 2cqo s ILE 35 CO 0.15 0.44 1.30 -2.16 0.00 0.00 0.00 174.94 174.67 2cqo s PRO 36 N -0.38 4.40 -1.33 2.79 0.04 -1.26 -2.91 135.00 136.36 2cqo s PRO 36 Ca 0.31 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2cqo s PRO 36 Cb -0.19 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.17 2cqo s PRO 36 CO 0.18 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2cqo n GLY 37 N 2.20 0.51 3.37 0.56 0.00 -1.26 -4.99 105.19 105.58 2cqo n GLY 37 Ca 0.05 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.60 0.29 -2.89 0.00 1.74 -1.26 -4.89 116.66 109.05 2cqo n ARG 39 Ca -0.01 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 2cqo n ARG 39 Cb 0.66 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 2cqo n ARG 39 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2cqo s LYS 40 N -2.24 3.75 0.39 5.56 -0.14 -1.26 -5.01 119.74 120.80 2cqo s LYS 40 Ca -0.17 0.41 0.08 0.00 -1.36 0.00 0.00 55.97 54.93 2cqo s LYS 40 Cb 0.05 -2.42 -0.06 0.00 -1.68 0.00 0.00 37.83 33.72 2cqo s LYS 40 CO 0.26 -0.02 0.06 -0.65 -0.76 0.00 0.00 175.35 174.24 2cqo s GLN 41 N -3.87 2.06 0.18 1.68 1.11 -1.26 -4.37 119.66 115.19 2cqo s GLN 41 Ca 0.50 -1.93 0.11 0.00 0.01 0.00 0.00 55.36 54.05 2cqo s GLN 41 Cb -0.10 -1.82 -0.04 0.00 -1.01 0.00 0.00 33.01 30.03 2cqo s GLN 41 CO 0.32 -0.02 -0.21 0.20 0.01 0.00 0.00 175.29 175.59 2cqo s GLY 42 N -3.77 1.70 -0.16 3.09 0.00 -1.04 -4.63 107.32 102.51 2cqo s GLY 42 Ca 0.37 -1.57 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 2cqo s GLY 42 CO 0.20 -1.59 0.07 -2.27 0.00 0.00 0.00 173.10 169.51 2cqo s LEU 43 N -2.62 3.92 -0.47 0.66 2.96 -0.36 -1.08 118.68 121.68 2cqo s LEU 43 Ca 0.21 0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 54.19 2cqo s LEU 43 Cb -0.08 -1.97 0.12 0.00 0.50 0.00 0.00 46.19 44.75 2cqo s LEU 43 CO 0.11 0.24 0.35 -0.69 -1.32 0.00 0.00 176.35 175.04 2cqo s VAL 44 N -0.03 4.32 0.71 1.68 1.01 0.87 -2.16 120.40 126.80 2cqo s VAL 44 Ca 0.07 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.17 2cqo s VAL 44 Cb -0.12 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2cqo s VAL 44 CO 0.01 -0.76 0.54 1.57 0.00 0.00 0.00 175.10 176.46 2cqo n HIS 45 N 4.95 -0.76 0.18 5.22 -0.00 -1.26 -1.72 115.22 121.83 2cqo n HIS 45 Ca -0.09 0.36 0.06 0.00 0.46 0.00 0.00 57.72 58.51 2cqo n HIS 45 Cb 0.41 -1.92 0.54 0.00 -0.12 0.00 0.00 29.99 28.89 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 -0.33 0.14 0.00 1.57 0.11 -1.69 -0.35 114.38 113.83 2cqo h ARG 46 Ca -0.45 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 2cqo h ARG 46 Cb 1.35 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.40 2cqo h ARG 46 CO 0.43 0.16 -0.18 1.79 0.10 0.00 0.00 179.97 182.26 2cqo h THR 47 N 0.14 0.93 0.00 0.08 1.35 -1.88 -2.57 112.91 110.96 2cqo h THR 47 Ca 0.04 -0.67 -0.09 0.00 -0.55 0.00 0.00 66.41 65.13 2cqo h THR 47 Cb 0.10 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 2cqo h THR 47 CO 0.00 0.18 -1.71 1.41 -0.25 0.00 0.00 175.52 175.15 2cqo n HIS 48 N -4.03 0.44 -0.32 4.73 8.25 -0.52 -4.25 115.22 119.52 2cqo n HIS 48 Ca -0.02 0.14 0.18 0.00 -0.26 0.00 0.00 57.72 57.76 2cqo n HIS 48 Cb 0.26 -0.81 0.43 0.00 1.12 0.00 0.00 29.99 30.99 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 0.53 0.00 -0.41 2.07 -0.68 0.19 114.93 116.63 2cqo h MET 49 Ca -0.12 -0.03 -0.18 0.00 -2.07 0.00 0.00 59.70 57.29 2cqo h MET 49 Cb 1.32 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.89 2cqo h MET 49 CO 0.01 0.35 0.01 0.45 1.07 0.00 0.00 176.91 178.81 2cqo n SER 50 N -4.69 -1.69 -0.07 1.22 2.88 -1.24 -4.20 113.62 105.82 2cqo n SER 50 Ca 0.24 -2.76 -0.11 0.00 -1.33 0.00 0.00 58.87 54.91 2cqo n SER 50 Cb 0.73 2.99 -0.06 0.00 -0.75 0.00 0.00 64.21 67.12 2cqo n SER 50 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cqo n SER 51 N -1.58 2.56 -3.05 -3.46 3.41 -1.26 -4.80 113.62 105.44 2cqo n SER 51 Ca -0.03 -0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.40 2cqo n SER 51 Cb 0.58 -0.27 0.13 0.00 -0.26 0.00 0.00 64.21 64.39 2cqo n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cqo n ARG 53 N -3.27 1.57 -3.19 0.00 0.63 -1.26 -4.93 116.66 106.21 2cqo n ARG 53 Ca 0.08 0.30 -0.39 0.00 -0.92 0.00 0.00 57.85 56.92 2cqo n ARG 53 Cb 0.30 -3.33 -0.06 0.00 0.45 0.00 0.00 32.46 29.81 2cqo n ARG 53 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2cqo s VAL 54 N 10.02 5.08 0.11 5.15 1.01 -1.26 -4.91 120.40 135.59 2cqo s VAL 54 Ca 1.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 64.05 2cqo s VAL 54 Cb -0.26 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2cqo s VAL 54 CO 0.31 0.17 0.00 0.47 0.00 0.00 0.00 175.10 176.05 2cqo n ASP 55 N 4.73 0.64 -4.16 3.32 9.92 -1.26 -4.97 116.55 124.78 2cqo n ASP 55 Ca -0.03 0.17 -0.39 0.00 -0.53 0.00 0.00 54.79 54.01 2cqo n ASP 55 Cb 0.50 -0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.78 2cqo n ASP 55 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2cqo s LYS 56 N -2.00 2.86 0.16 -1.24 3.01 -1.26 -4.90 119.74 116.37 2cqo s LYS 56 Ca 0.00 -2.52 0.20 0.00 -1.01 0.00 0.00 55.97 52.64 2cqo s LYS 56 Cb 0.00 -3.92 0.84 0.00 -1.01 0.00 0.00 37.83 33.74 2cqo s LYS 56 CO 0.00 -1.21 1.61 -0.35 0.51 0.00 0.00 175.35 175.92 2cqo n PRO 57 N 3.61 0.12 0.15 -1.68 -0.04 -1.26 -2.18 135.00 133.71 2cqo n PRO 57 Ca 0.09 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 2cqo n PRO 57 Cb 0.40 -1.73 0.26 0.00 -0.04 0.00 0.00 33.50 32.39 2cqo n PRO 57 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2cqo h SER 58 N 0.00 0.00 0.21 3.54 0.02 -1.86 -3.17 113.55 112.29 2cqo h SER 58 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2cqo h SER 58 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2cqo h SER 58 CO 0.00 0.01 -0.83 -0.62 -1.14 0.00 0.00 176.83 174.25 2cqo n GLU 59 N -2.61 0.02 0.07 3.45 -0.58 -0.93 -4.14 120.64 115.92 2cqo n GLU 59 Ca 0.04 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 2cqo n GLU 59 Cb 0.48 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.71 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 1.50 -4.56 -3.67 2.04 -1.58 -3.48 117.51 107.76 2cqo h ILE 60 Ca 0.00 -3.15 -0.25 0.00 1.00 0.00 0.00 64.86 62.46 2cqo h ILE 60 Cb 0.52 2.85 -0.15 0.00 -0.74 0.00 0.00 36.82 39.30 2cqo h ILE 60 CO 0.00 0.89 -0.58 0.68 0.00 0.00 0.00 178.15 179.14 2cqo s VAL 61 N -2.67 0.00 -0.27 1.67 -7.23 -1.24 -5.15 120.40 105.50 2cqo s VAL 61 Ca -0.03 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 57.96 2cqo s VAL 61 Cb 0.08 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.61 2cqo s VAL 61 CO 0.85 0.00 0.72 -1.81 -0.31 0.00 0.00 175.10 174.55 2cqo s ASP 62 N -3.17 -0.82 -0.36 4.85 1.01 -1.26 -4.77 116.67 112.15 2cqo s ASP 62 Ca 0.38 1.46 -0.44 0.00 0.71 0.00 0.00 52.55 54.66 2cqo s ASP 62 Cb 0.06 1.42 -0.19 0.00 1.01 0.00 0.00 42.92 45.23 2cqo s ASP 62 CO 0.13 -0.24 1.53 0.52 0.21 0.00 0.00 175.17 177.32 2cqo n VAL 63 N 3.30 0.05 0.00 -1.27 0.31 -1.26 -1.01 118.33 118.45 2cqo n VAL 63 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2cqo n VAL 63 Cb 0.57 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2cqo n VAL 63 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2cqo n GLY 64 N 3.59 2.24 3.69 2.92 0.00 -0.76 -4.99 105.19 111.88 2cqo n GLY 64 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.45 7.05 -0.11 1.61 1.11 -0.18 -4.83 116.67 119.88 2cqo s ASP 65 Ca 0.00 1.28 -0.16 0.00 0.18 0.00 0.00 52.55 53.85 2cqo s ASP 65 Cb 0.00 -2.47 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 2cqo s ASP 65 CO 0.00 -0.31 0.41 -0.75 1.18 0.00 0.00 175.17 175.71 2cqo s LYS 66 N 1.62 4.23 0.19 8.23 2.20 -1.26 -1.93 119.74 133.03 2cqo s LYS 66 Ca 0.41 0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 2cqo s LYS 66 Cb -0.18 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2cqo s LYS 66 CO 0.17 0.29 0.15 0.14 -0.36 0.00 0.00 175.35 175.74 2cqo s VAL 67 N 0.24 0.01 -0.08 4.02 -7.23 0.16 -4.98 120.40 112.54 2cqo s VAL 67 Ca 0.23 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 2cqo s VAL 67 Cb -0.15 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2cqo s VAL 67 CO 0.09 -0.06 0.19 0.26 -0.31 0.00 0.00 175.10 175.27 2cqo s TRP 68 N -4.13 3.61 0.11 2.82 0.52 -1.26 -1.07 118.94 119.54 2cqo s TRP 68 Ca 0.36 0.59 -0.01 0.00 0.02 0.00 0.00 56.10 57.05 2cqo s TRP 68 Cb 0.06 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 2cqo s TRP 68 CO 0.10 0.71 0.04 0.14 0.02 0.00 0.00 176.95 177.96 2cqo s VAL 69 N -1.08 0.13 -0.07 4.03 -7.23 -0.74 -4.66 120.40 110.78 2cqo s VAL 69 Ca 0.18 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.46 2cqo s VAL 69 Cb -0.13 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.90 2cqo s VAL 69 CO 0.07 -0.57 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.51 2cqo s LYS 70 N -4.02 0.92 0.22 4.82 2.20 -0.38 -2.08 119.74 121.41 2cqo s LYS 70 Ca 0.21 -0.05 -0.32 0.00 -0.36 0.00 0.00 55.97 55.45 2cqo s LYS 70 Cb 0.08 -1.09 -0.12 0.00 -1.51 0.00 0.00 37.83 35.19 2cqo s LYS 70 CO -0.01 -0.22 1.69 -1.17 -0.36 0.00 0.00 175.35 175.29 2cqo s LEU 71 N 1.57 4.37 -0.02 5.43 2.96 -0.77 -1.34 118.68 130.87 2cqo s LEU 71 Ca -0.00 2.86 0.05 0.00 -0.22 0.00 0.00 54.13 56.82 2cqo s LEU 71 Cb -0.13 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 2cqo s LEU 71 CO -0.04 -0.95 0.07 2.30 -1.32 0.00 0.00 176.35 176.41 2cqo n ILE 72 N 3.70 0.15 -3.15 6.68 -5.35 -0.94 -1.34 119.36 119.12 2cqo n ILE 72 Ca 0.15 -0.15 0.04 0.00 -0.27 0.00 0.00 62.75 62.51 2cqo n ILE 72 Cb 0.36 -0.18 -0.01 0.00 -1.74 0.00 0.00 39.64 38.07 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 -3.03 -0.89 -0.16 3.28 0.00 -1.21 -4.86 107.32 100.45 2cqo s GLY 73 Ca -0.02 2.00 -0.02 0.00 0.00 0.00 0.00 44.72 46.68 2cqo s GLY 73 CO 0.20 3.47 -0.10 1.09 0.00 0.00 0.00 173.10 177.76 2cqo s ARG 74 N 2.88 3.40 -0.05 2.90 1.70 -1.26 -1.46 118.95 127.06 2cqo s ARG 74 Ca 0.17 -0.65 -0.01 0.00 -0.47 0.00 0.00 55.73 54.77 2cqo s ARG 74 Cb -0.14 -2.77 0.03 0.00 -0.57 0.00 0.00 34.95 31.50 2cqo s ARG 74 CO -0.19 0.09 0.01 -1.21 -1.08 0.00 0.00 175.30 172.91 2cqo s GLU 75 N 0.70 0.36 -0.24 3.89 0.41 -0.78 -5.05 118.70 117.99 2cqo s GLU 75 Ca -0.05 0.15 0.01 0.00 -0.41 0.00 0.00 54.97 54.67 2cqo s GLU 75 Cb -0.15 -0.69 0.04 0.00 -1.78 0.00 0.00 34.13 31.55 2cqo s GLU 75 CO 0.02 -0.24 -0.11 1.41 -0.49 0.00 0.00 175.26 175.85 2cqo s MET 76 N 1.63 2.63 -0.02 1.61 -2.45 -1.26 -1.51 119.30 119.93 2cqo s MET 76 Ca -0.01 -1.10 0.05 0.00 -1.25 0.00 0.00 55.69 53.38 2cqo s MET 76 Cb -0.13 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.06 2cqo s MET 76 CO -0.03 -0.43 -0.16 0.21 1.05 0.00 0.00 175.02 175.66 2cqo s LYS 77 N 1.23 2.34 0.25 4.11 2.20 0.11 -4.99 119.74 125.00 2cqo s LYS 77 Ca -0.02 -0.80 0.16 0.00 -0.36 0.00 0.00 55.97 54.95 2cqo s LYS 77 Cb -0.17 -2.30 0.88 0.00 -1.51 0.00 0.00 37.83 34.73 2cqo s LYS 77 CO -0.07 0.59 1.49 0.27 -0.36 0.00 0.00 175.35 177.27 2cqo n ASN 78 N 2.04 0.42 -0.08 1.43 0.23 -1.26 -0.99 115.26 117.05 2cqo n ASN 78 Ca -0.17 0.69 -0.07 0.00 -0.53 0.00 0.00 54.58 54.51 2cqo n ASN 78 Cb 0.52 -0.74 -0.15 0.00 -2.08 0.00 0.00 39.78 37.34 2cqo n ASN 78 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2cqo n ASP 79 N -2.07 0.33 -3.52 0.53 2.03 -1.26 -5.04 116.55 107.55 2cqo n ASP 79 Ca -0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 2cqo n ASP 79 Cb 0.05 1.10 -0.03 0.00 -0.72 0.00 0.00 41.12 41.52 2cqo n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2cqo s ARG 80 N -2.59 0.80 -0.07 -0.67 0.52 -0.16 -5.17 118.95 111.61 2cqo s ARG 80 Ca -0.09 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 2cqo s ARG 80 Cb 0.07 0.37 0.01 0.00 0.52 0.00 0.00 34.95 35.92 2cqo s ARG 80 CO 0.79 -0.32 -0.14 0.42 0.02 0.00 0.00 175.30 176.06 2cqo s ILE 81 N -2.56 1.30 -0.06 1.52 1.01 -1.26 0.09 121.20 121.24 2cqo s ILE 81 Ca 0.02 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2cqo s ILE 81 Cb -0.01 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.31 2cqo s ILE 81 CO -0.06 0.39 -0.09 -0.54 0.00 0.00 0.00 174.94 174.65 2cqo s LYS 82 N 0.63 1.37 -0.08 2.79 -0.14 -0.57 -5.00 119.74 118.74 2cqo s LYS 82 Ca -0.15 -0.29 0.02 0.00 -1.36 0.00 0.00 55.97 54.20 2cqo s LYS 82 Cb -0.16 -1.21 0.01 0.00 -1.68 0.00 0.00 37.83 34.79 2cqo s LYS 82 CO 0.04 -0.04 -0.15 0.08 -0.76 0.00 0.00 175.35 174.53 2cqo s VAL 83 N 0.84 1.36 -0.15 3.17 1.01 -1.26 -1.86 120.40 123.51 2cqo s VAL 83 Ca -0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2cqo s VAL 83 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 2cqo s VAL 83 CO 0.02 0.41 -0.07 -0.44 0.00 0.00 0.00 175.10 175.01 2cqo s SER 84 N 0.68 4.46 0.16 3.32 0.01 -0.53 -1.22 113.70 120.57 2cqo s SER 84 Ca -0.14 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 56.99 2cqo s SER 84 Cb -0.16 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2cqo s SER 84 CO 0.04 0.16 -0.18 -0.76 0.41 0.00 0.00 173.24 172.90 2cqo s LEU 85 N 0.41 2.43 0.14 2.44 1.43 -0.92 -2.20 118.68 122.40 2cqo s LEU 85 Ca -0.06 -0.85 0.09 0.00 -1.03 0.00 0.00 54.13 52.28 2cqo s LEU 85 Cb -0.15 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 2cqo s LEU 85 CO 0.04 -0.03 -0.18 -0.55 0.23 0.00 0.00 176.35 175.85 2cqo s SER 86 N -2.62 3.84 0.00 2.29 0.15 -0.45 -4.28 113.70 112.63 2cqo s SER 86 Ca 0.15 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2cqo s SER 86 Cb -0.06 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2cqo s SER 86 CO 0.06 0.16 0.00 0.23 1.20 0.00 0.00 173.24 174.89 2cqo n MET 87 N 0.64 1.69 0.28 5.44 2.81 -1.17 -1.25 117.12 125.55 2cqo n MET 87 Ca -0.15 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 55.91 2cqo n MET 87 Cb 0.53 -0.94 0.77 0.00 -0.71 0.00 0.00 33.22 32.88 2cqo n MET 87 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2cqo h LYS 88 N 0.00 0.00 -0.81 0.03 2.10 -0.79 -2.21 116.57 114.88 2cqo h LYS 88 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.34 2cqo h LYS 88 Cb 0.88 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.03 2cqo h LYS 88 CO 0.00 0.06 0.39 1.33 -2.00 0.00 0.00 179.45 179.22 2cqo n VAL 89 N -3.25 3.02 -3.72 0.07 0.24 -1.26 -4.88 118.33 108.55 2cqo n VAL 89 Ca -0.01 -1.75 -0.12 0.00 -2.04 0.00 0.00 64.34 60.42 2cqo n VAL 89 Cb 0.26 -0.39 -0.12 0.00 -1.47 0.00 0.00 33.84 32.11 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 -3.10 -0.04 0.18 3.34 1.01 -0.83 -3.29 120.40 117.67 2cqo s VAL 90 Ca 0.56 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2cqo s VAL 90 Cb 0.45 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 36.28 2cqo s VAL 90 CO 0.13 0.05 1.43 0.21 0.00 0.00 0.00 175.10 176.92 2cqo s ASN 91 N 1.30 6.74 -0.56 3.32 2.47 -1.19 -4.88 114.94 122.14 2cqo s ASN 91 Ca -0.09 2.50 -0.02 0.00 0.42 0.00 0.00 52.86 55.67 2cqo s ASN 91 Cb -0.10 -2.60 0.29 0.00 -1.45 0.00 0.00 41.25 37.39 2cqo s ASN 91 CO -0.10 -0.68 2.17 0.00 -3.72 0.00 0.00 177.10 174.77 2cqo n GLN 92 N 3.26 2.39 0.00 0.43 1.13 -1.26 -2.77 117.38 120.57 2cqo n GLN 92 Ca 0.10 -2.66 0.00 0.00 -1.94 0.00 0.00 57.00 52.49 2cqo n GLN 92 Cb 0.41 -2.07 0.00 0.00 0.11 0.00 0.00 30.24 28.69 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 -0.15 0.08 0.00 1.08 0.00 -1.26 -4.94 105.19 100.00 2cqo n GLY 93 Ca 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.93 0.00 -1.90 2.61 -2.24 -1.26 -5.04 114.28 105.52 2cqo n THR 94 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2cqo n THR 94 Cb 0.00 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 2.05 0.59 3.81 3.38 0.00 -1.11 -5.05 105.19 108.85 2cqo n GLY 95 Ca 0.00 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.87 3.92 -0.10 1.61 2.47 -1.26 -4.85 119.74 117.65 2cqo s LYS 96 Ca 0.00 0.16 -0.34 0.00 -1.56 0.00 0.00 55.97 54.23 2cqo s LYS 96 Cb 0.00 -3.29 -0.11 0.00 -1.46 0.00 0.00 37.83 32.97 2cqo s LYS 96 CO 0.00 0.55 1.91 -3.47 0.16 0.00 0.00 175.35 174.50 2cqo n ASP 97 N 2.50 3.45 -0.01 1.43 -0.08 -1.26 -3.17 116.55 119.41 2cqo n ASP 97 Ca -0.15 0.93 -0.13 0.00 -1.51 0.00 0.00 54.79 53.93 2cqo n ASP 97 Cb 0.53 -1.38 -0.14 0.00 2.34 0.00 0.00 41.12 42.47 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 6.99 1.48 -3.81 -2.67 4.77 -1.21 -4.59 117.00 117.96 2cqo n LEU 98 Ca 0.23 0.34 -0.28 0.00 -0.03 0.00 0.00 56.01 56.28 2cqo n LEU 98 Cb 0.30 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2cqo n LEU 98 CO 0.73 0.55 -0.05 0.47 -1.33 0.00 0.00 177.39 177.76 2cqo n ASP 99 N -3.19 2.75 0.11 -1.43 8.00 -1.26 -4.91 116.55 116.63 2cqo n ASP 99 Ca -0.22 -3.15 0.11 0.00 0.71 0.00 0.00 54.79 52.24 2cqo n ASP 99 Cb 1.05 -0.73 0.47 0.00 -0.02 0.00 0.00 41.12 41.89 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2cqo n PRO 100 N 1.94 0.17 0.03 -0.24 -0.04 -1.26 -2.75 135.00 132.84 2cqo n PRO 100 Ca 0.22 0.40 -0.17 0.00 -0.04 0.00 0.00 63.50 63.92 2cqo n PRO 100 Cb 0.37 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 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 0.80 -5.18 3.54 4.21 -1.99 -3.48 115.58 113.48 2cqo h ASN 101 Ca 0.00 -0.58 -0.29 0.00 1.21 0.00 0.00 56.30 56.64 2cqo h ASN 101 Cb 0.34 -0.24 0.15 0.00 -1.12 0.00 0.00 38.32 37.45 2cqo h ASN 101 CO 0.00 1.38 -0.66 0.59 -1.29 0.00 0.00 177.43 177.44 2cqo n ASN 102 N -3.86 -2.34 -0.09 5.81 3.02 -1.11 -4.95 115.26 111.75 2cqo n ASN 102 Ca -0.08 -0.53 -0.11 0.00 -0.03 0.00 0.00 54.58 53.82 2cqo n ASN 102 Cb 0.81 -4.52 -0.11 0.00 -0.61 0.00 0.00 39.78 35.34 2cqo n ASN 102 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2cqo n VAL 103 N -3.80 1.15 -0.00 2.41 0.31 -1.26 -4.49 118.33 112.65 2cqo n VAL 103 Ca -0.23 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.41 2cqo n VAL 103 Cb 0.64 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.60 2cqo n VAL 103 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2cqo h ILE 104 N 0.00 1.11 -0.11 2.52 5.03 -1.97 -2.06 117.51 122.03 2cqo h ILE 104 Ca -0.45 -0.30 0.03 0.00 -0.12 0.00 0.00 64.86 64.02 2cqo h ILE 104 Cb 1.86 1.16 -0.00 0.00 -3.03 0.00 0.00 36.82 36.81 2cqo h ILE 104 CO -0.02 0.09 0.37 0.16 -0.68 0.00 0.00 178.15 178.07 2cqo h ILE 105 N 0.01 0.10 -1.85 -0.67 -0.00 -2.00 -3.34 117.51 109.77 2cqo h ILE 105 Ca 0.03 0.00 -0.62 0.00 -0.00 0.00 0.00 64.86 64.26 2cqo h ILE 105 Cb 0.11 0.65 -0.13 0.00 -0.00 0.00 0.00 36.82 37.46 2cqo h ILE 105 CO -0.00 0.00 1.13 -0.70 -0.00 0.00 0.00 178.15 178.57 2cqo s GLU 106 N -4.24 3.49 0.12 0.16 2.12 -0.78 -4.98 118.70 114.59 2cqo s GLU 106 Ca -0.04 -1.18 0.11 0.00 0.36 0.00 0.00 54.97 54.22 2cqo s GLU 106 Cb 0.10 -4.95 -0.04 0.00 0.26 0.00 0.00 34.13 29.51 2cqo s GLU 106 CO 0.34 -2.02 -0.26 -1.54 -0.54 0.00 0.00 175.26 171.24 2cqo s SER 107 N 4.25 3.35 0.00 -1.70 1.04 -1.26 -4.96 113.70 114.43 2cqo s SER 107 Ca 0.38 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2cqo s SER 107 Cb -0.04 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2cqo s SER 107 CO -0.04 0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2cqo n GLY 108 N 1.00 1.03 3.67 7.32 0.00 -1.26 -5.10 105.19 111.85 2cqo n GLY 108 Ca -0.18 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 0.37 0.08 1.61 0.04 -1.26 -5.08 135.00 130.75 2cqo s PRO 109 Ca 0.00 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.28 2cqo s PRO 109 Cb 0.00 -1.73 0.08 0.00 0.04 0.00 0.00 34.50 32.89 2cqo s PRO 109 CO 0.00 -2.77 0.96 -1.54 0.04 0.00 0.00 177.00 173.69 2cqo s SER 110 N -3.45 -0.24 0.52 6.66 1.04 -1.26 -5.17 113.70 111.80 2cqo s SER 110 Ca 0.65 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 2cqo s SER 110 Cb -0.19 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 2cqo s SER 110 CO 0.58 -0.75 0.92 -0.55 0.98 0.00 0.00 173.24 174.41 2cqo s SER 111 N -2.76 6.41 0.00 7.02 0.15 -1.26 -5.32 113.70 117.94 2cqo s SER 111 Ca 0.10 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2cqo s SER 111 Cb -0.01 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2cqo s SER 111 CO -0.02 -0.63 0.07 0.61 1.20 0.00 0.00 173.24 174.47