#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 -1.21 -4.35 1.61 3.41 -1.26 -4.91 113.62 106.92 2cqo n SER -5 Ca 0.00 -1.24 -0.21 0.00 -0.26 0.00 0.00 58.87 57.16 2cqo n SER -5 Cb 0.00 -1.68 -0.11 0.00 -0.26 0.00 0.00 64.21 62.16 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 -3.55 2.75 0.00 4.04 1.04 -1.26 -5.10 113.70 111.63 2cqo s SER -4 Ca 0.62 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2cqo s SER -4 Cb -0.36 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2cqo s SER -4 CO 1.02 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.79 2cqo n GLY -3 N 0.05 1.48 3.74 7.32 0.00 -1.26 -5.02 105.19 111.50 2cqo n GLY -3 Ca -0.11 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 2cqo n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqo n SER -2 N 0.00 -4.91 -3.83 1.61 7.64 -1.26 -4.98 113.62 107.90 2cqo n SER -2 Ca 0.00 -0.68 -0.28 0.00 1.01 0.00 0.00 58.87 58.92 2cqo n SER -2 Cb 0.00 -4.45 -0.16 0.00 -1.01 0.00 0.00 64.21 58.59 2cqo n SER -2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cqo s SER -1 N -3.49 2.92 0.00 6.43 0.15 -1.26 -5.09 113.70 113.36 2cqo s SER -1 Ca 0.53 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2cqo s SER -1 Cb -0.25 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 2cqo s SER -1 CO 0.78 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2cqo n GLY 0 N 4.93 3.95 3.36 9.45 0.00 -1.26 -5.19 105.19 120.44 2cqo n GLY 0 Ca -0.10 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2cqo n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cqo s MET 1 N -1.89 1.71 -0.14 1.61 0.00 -1.26 -5.17 119.30 114.16 2cqo s MET 1 Ca 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 55.69 53.61 2cqo s MET 1 Cb 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 34.83 34.78 2cqo s MET 1 CO 0.00 -0.51 0.34 1.21 0.00 0.00 0.00 175.02 176.06 2cqo s ASN 2 N -3.42 -0.39 -0.24 -1.18 3.84 -1.26 -5.14 114.94 107.16 2cqo s ASN 2 Ca 0.34 0.71 -0.01 0.00 0.21 0.00 0.00 52.86 54.12 2cqo s ASN 2 Cb 0.04 0.63 0.07 0.00 -0.55 0.00 0.00 41.25 41.44 2cqo s ASN 2 CO 0.19 -0.16 0.00 -0.55 -2.79 0.00 0.00 177.10 173.80 2cqo s SER 3 N 0.98 3.58 0.00 -4.21 0.15 -1.26 -5.08 113.70 107.86 2cqo s SER 3 Ca -0.07 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.43 2cqo s SER 3 Cb -0.07 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2cqo s SER 3 CO -0.07 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2cqo n GLY 4 N 4.82 3.69 3.77 9.45 0.00 -1.26 -5.12 105.19 120.54 2cqo n GLY 4 Ca -0.09 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.46 3.32 0.32 1.61 3.00 -1.26 -4.99 118.95 118.50 2cqo s ARG 5 Ca 0.00 1.66 -0.28 0.00 0.00 0.00 0.00 55.73 57.11 2cqo s ARG 5 Cb 0.00 -2.02 -0.10 0.00 0.00 0.00 0.00 34.95 32.83 2cqo s ARG 5 CO 0.00 -0.89 1.22 -1.25 0.00 0.00 0.00 175.30 174.38 2cqo s PRO 6 N -3.25 4.41 -0.20 3.54 0.04 -1.26 -5.02 135.00 133.26 2cqo s PRO 6 Ca 0.73 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.69 2cqo s PRO 6 Cb -0.25 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2cqo s PRO 6 CO 0.29 -0.07 0.16 -1.21 0.04 0.00 0.00 177.00 176.20 2cqo s GLU 7 N -1.74 4.18 -0.23 4.56 2.02 -1.26 -5.07 118.70 121.16 2cqo s GLU 7 Ca 0.48 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 55.31 2cqo s GLU 7 Cb -0.36 -3.44 0.05 0.00 0.10 0.00 0.00 34.13 30.48 2cqo s GLU 7 CO 0.47 0.25 -0.09 0.95 0.02 0.00 0.00 175.26 176.86 2cqo s THR 8 N 0.48 1.80 0.12 3.63 -4.23 -1.26 -5.02 115.64 111.16 2cqo s THR 8 Ca 0.09 -1.28 -0.23 0.00 -1.18 0.00 0.00 61.69 59.09 2cqo s THR 8 Cb -0.12 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2cqo s THR 8 CO -0.00 0.03 1.15 0.23 -0.54 0.00 0.00 174.62 175.49 2cqo n MET 9 N 4.59 -0.33 -2.20 3.99 2.81 -1.26 -4.49 117.12 120.23 2cqo n MET 9 Ca -0.14 1.13 -0.17 0.00 -1.81 0.00 0.00 57.70 56.71 2cqo n MET 9 Cb 0.44 -1.66 0.08 0.00 -0.71 0.00 0.00 33.22 31.38 2cqo n MET 9 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2cqo n GLU 10 N -4.94 0.18 -1.51 0.03 1.02 -1.26 -5.02 120.64 109.15 2cqo n GLU 10 Ca 0.02 -2.16 -0.32 0.00 -0.02 0.00 0.00 57.16 54.68 2cqo n GLU 10 Cb 0.20 -0.45 0.07 0.00 -0.02 0.00 0.00 31.44 31.24 2cqo n GLU 10 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2cqo n ASN 11 N -2.84 6.91 -4.55 1.62 3.02 -1.26 -5.03 115.26 113.12 2cqo n ASN 11 Ca 0.13 -3.78 -0.34 0.00 -0.03 0.00 0.00 54.58 50.56 2cqo n ASN 11 Cb 0.46 -0.81 0.10 0.00 -0.61 0.00 0.00 39.78 38.92 2cqo n ASN 11 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2cqo n LEU 12 N -0.87 2.19 -4.65 3.41 4.77 -1.26 -4.91 117.00 115.68 2cqo n LEU 12 Ca 0.58 0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 56.81 2cqo n LEU 12 Cb 0.75 -1.34 0.20 0.00 -2.33 0.00 0.00 43.42 40.70 2cqo n LEU 12 CO 0.69 -2.60 0.63 -2.16 -1.33 0.00 0.00 177.39 172.62 2cqo s PRO 13 N -3.51 -0.07 0.81 3.23 0.04 -1.26 -5.06 135.00 129.18 2cqo s PRO 13 Ca 0.67 0.35 -0.06 0.00 0.04 0.00 0.00 61.00 61.99 2cqo s PRO 13 Cb -0.30 -1.69 0.16 0.00 0.04 0.00 0.00 34.50 32.71 2cqo s PRO 13 CO 0.57 -3.03 1.12 0.00 0.04 0.00 0.00 177.00 175.70 2cqo s ALA 14 N -2.98 3.16 0.64 8.56 0.00 -1.26 -5.01 121.76 124.87 2cqo s ALA 14 Ca 0.67 -1.55 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 2cqo s ALA 14 Cb -0.16 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 2cqo s ALA 14 CO 0.57 -1.84 1.15 -1.17 0.00 0.00 0.00 175.76 174.48 2cqo s LEU 15 N -5.43 3.50 -1.11 0.00 2.96 -1.26 -2.79 118.68 114.55 2cqo s LEU 15 Ca 0.69 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.79 2cqo s LEU 15 Cb -0.05 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.07 2cqo s LEU 15 CO 0.48 -1.67 0.00 -1.22 -1.32 0.00 0.00 176.35 172.61 2cqo n TYR 16 N -2.09 -1.13 -3.28 5.38 4.01 -0.59 -4.92 117.16 114.54 2cqo n TYR 16 Ca 0.12 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.47 2cqo n TYR 16 Cb 0.51 -2.65 -0.06 0.00 -0.31 0.00 0.00 39.34 36.83 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 -2.44 4.75 -0.15 -0.72 2.01 -1.12 -4.78 115.64 113.19 2cqo s THR 17 Ca 0.00 1.20 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 2cqo s THR 17 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2cqo s THR 17 CO 0.00 0.55 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.84 2cqo s ILE 18 N -1.11 4.14 0.17 1.82 1.01 -1.26 -1.69 121.20 124.27 2cqo s ILE 18 Ca 0.29 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2cqo s ILE 18 Cb -0.19 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2cqo s ILE 18 CO 0.19 0.50 0.34 0.72 0.00 0.00 0.00 174.94 176.70 2cqo s PHE 19 N 0.16 0.27 -0.25 3.97 -0.12 -0.86 -5.02 117.98 116.13 2cqo s PHE 19 Ca 0.00 -0.63 -0.10 0.00 -0.05 0.00 0.00 56.93 56.15 2cqo s PHE 19 Cb -0.13 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.27 2cqo s PHE 19 CO 0.02 -0.77 0.15 -1.14 -0.05 0.00 0.00 175.22 173.43 2cqo s GLN 20 N -3.94 3.93 0.16 1.99 0.74 -1.26 -1.85 119.66 119.43 2cqo s GLN 20 Ca 0.15 -0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.25 2cqo s GLN 20 Cb 0.02 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 2cqo s GLN 20 CO -0.01 -0.07 -0.03 0.20 -0.55 0.00 0.00 175.29 174.84 2cqo s GLY 21 N 1.39 1.15 -0.03 2.59 0.00 -0.53 -4.26 107.32 107.63 2cqo s GLY 21 Ca 0.07 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2cqo s GLY 21 CO 0.07 -1.54 -0.03 1.85 0.00 0.00 0.00 173.10 173.44 2cqo s GLU 22 N -3.86 2.75 0.07 2.90 2.12 -1.21 -0.85 118.70 120.63 2cqo s GLU 22 Ca 0.21 -0.59 -0.31 0.00 0.36 0.00 0.00 54.97 54.64 2cqo s GLU 22 Cb 0.05 -2.63 -0.08 0.00 0.26 0.00 0.00 34.13 31.73 2cqo s GLU 22 CO 0.02 0.64 1.56 0.08 -0.54 0.00 0.00 175.26 177.03 2cqo s VAL 23 N -0.98 3.14 -0.04 3.70 1.01 -0.78 -0.83 120.40 125.63 2cqo s VAL 23 Ca 0.17 0.65 0.09 0.00 0.00 0.00 0.00 61.98 62.89 2cqo s VAL 23 Cb -0.11 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 2cqo s VAL 23 CO 0.07 0.01 0.15 0.00 0.00 0.00 0.00 175.10 175.32 2cqo n ALA 24 N 5.17 2.15 -3.21 5.51 0.00 0.06 -2.26 120.51 127.93 2cqo n ALA 24 Ca 0.15 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2cqo n ALA 24 Cb 0.41 -0.19 -0.12 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.51 0.29 -0.14 0.00 1.75 -1.18 -4.93 119.30 112.58 2cqo s MET 25 Ca -0.04 0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.80 2cqo s MET 25 Cb 0.05 0.11 0.01 0.00 2.84 0.00 0.00 34.83 37.85 2cqo s MET 25 CO 0.39 -0.05 -0.20 0.08 -0.65 0.00 0.00 175.02 174.59 2cqo s VAL 26 N 0.27 1.92 0.15 10.11 1.01 -1.26 -0.23 120.40 132.37 2cqo s VAL 26 Ca -0.01 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.15 2cqo s VAL 26 Cb -0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2cqo s VAL 26 CO -0.01 0.52 -0.14 0.42 0.00 0.00 0.00 175.10 175.89 2cqo s THR 27 N 0.96 1.51 -1.39 3.92 -4.23 0.21 -5.00 115.64 111.63 2cqo s THR 27 Ca -0.04 -1.93 0.14 0.00 -1.18 0.00 0.00 61.69 58.68 2cqo s THR 27 Cb -0.15 -1.76 0.24 0.00 1.34 0.00 0.00 72.50 72.17 2cqo s THR 27 CO -0.04 -0.48 1.40 -0.67 -0.54 0.00 0.00 174.62 174.28 2cqo n ASP 28 N 0.16 0.00 -0.11 3.99 2.03 -1.26 -1.74 116.55 119.62 2cqo n ASP 28 Ca -0.12 0.12 0.01 0.00 0.52 0.00 0.00 54.79 55.31 2cqo n ASP 28 Cb 0.58 -0.30 0.02 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.30 0.07 -1.52 -0.67 0.18 -1.26 -4.75 117.16 107.91 2cqo n TYR 29 Ca 0.07 -0.44 0.00 0.00 1.88 0.00 0.00 57.90 59.41 2cqo n TYR 29 Cb 0.12 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.04 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 -0.27 -0.45 3.09 -7.48 0.00 -0.71 -2.09 105.19 97.28 2cqo n GLY 30 Ca 0.02 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.14 -0.32 -0.15 4.61 0.00 -0.73 0.67 121.76 124.71 2cqo s ALA 31 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.81 2cqo s ALA 31 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2cqo s ALA 31 CO 0.00 -0.18 0.23 -0.06 0.00 0.00 0.00 175.76 175.75 2cqo s PHE 32 N -1.10 3.50 0.02 0.00 0.40 0.68 -0.07 117.98 121.41 2cqo s PHE 32 Ca -0.12 0.55 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 2cqo s PHE 32 Cb -0.06 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2cqo s PHE 32 CO 0.01 0.38 -0.18 0.42 0.70 0.00 0.00 175.22 176.56 2cqo s ILE 33 N 0.01 2.80 -0.08 0.64 -1.09 -0.04 -0.76 121.20 122.69 2cqo s ILE 33 Ca 0.15 -1.11 -0.19 0.00 -2.23 0.00 0.00 60.65 57.26 2cqo s ILE 33 Cb -0.13 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.55 2cqo s ILE 33 CO 0.03 0.39 0.53 -0.54 -1.23 0.00 0.00 174.94 174.12 2cqo s LYS 34 N -1.30 4.33 -0.08 2.79 1.02 -0.01 -2.28 119.74 124.21 2cqo s LYS 34 Ca 0.14 0.58 -0.19 0.00 0.02 0.00 0.00 55.97 56.51 2cqo s LYS 34 Cb -0.10 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2cqo s LYS 34 CO 0.04 0.21 0.54 0.42 -0.92 0.00 0.00 175.35 175.64 2cqo s ILE 35 N 0.40 5.10 -0.03 2.17 1.01 -1.26 -3.30 121.20 125.30 2cqo s ILE 35 Ca 0.29 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 2cqo s ILE 35 Cb -0.16 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 2cqo s ILE 35 CO 0.13 0.34 1.47 -2.16 0.00 0.00 0.00 174.94 174.72 2cqo s PRO 36 N 0.42 4.24 0.00 2.79 0.04 -1.26 -2.65 135.00 138.58 2cqo s PRO 36 Ca 0.29 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2cqo s PRO 36 Cb -0.16 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2cqo s PRO 36 CO 0.13 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2cqo n GLY 37 N 3.80 0.48 3.25 0.56 0.00 -1.26 -5.05 105.19 106.97 2cqo n GLY 37 Ca 0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.24 0.49 -1.63 0.00 0.63 -1.26 -4.77 116.66 109.88 2cqo n ARG 39 Ca -0.01 0.15 -0.32 0.00 -0.92 0.00 0.00 57.85 56.75 2cqo n ARG 39 Cb 0.65 -1.36 0.06 0.00 0.45 0.00 0.00 32.46 32.25 2cqo n ARG 39 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2cqo s LYS 40 N -2.40 2.67 0.34 -0.14 -0.14 -1.26 -4.95 119.74 113.86 2cqo s LYS 40 Ca -0.29 1.32 0.09 0.00 -1.36 0.00 0.00 55.97 55.73 2cqo s LYS 40 Cb 0.09 -1.94 -0.06 0.00 -1.68 0.00 0.00 37.83 34.23 2cqo s LYS 40 CO 0.44 -1.34 -0.08 -0.65 -0.76 0.00 0.00 175.35 172.95 2cqo s GLN 41 N -4.33 1.78 0.09 1.68 -0.21 -1.26 -4.22 119.66 113.19 2cqo s GLN 41 Ca 0.65 -1.92 0.10 0.00 0.02 0.00 0.00 55.36 54.21 2cqo s GLN 41 Cb -0.19 -1.60 -0.03 0.00 1.00 0.00 0.00 33.01 32.18 2cqo s GLN 41 CO 0.46 0.11 -0.26 0.20 -2.12 0.00 0.00 175.29 173.68 2cqo s GLY 42 N -3.58 1.45 -0.09 3.09 0.00 -0.97 -4.55 107.32 102.68 2cqo s GLY 42 Ca 0.32 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 2cqo s GLY 42 CO 0.16 -1.30 0.14 -2.27 0.00 0.00 0.00 173.10 169.83 2cqo s LEU 43 N -1.70 4.30 -0.32 0.66 2.96 -0.79 -0.86 118.68 122.93 2cqo s LEU 43 Ca 0.12 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2cqo s LEU 43 Cb -0.10 -2.18 0.07 0.00 0.50 0.00 0.00 46.19 44.49 2cqo s LEU 43 CO 0.04 0.37 0.03 -0.69 -1.32 0.00 0.00 176.35 174.78 2cqo s VAL 44 N -1.09 2.75 0.55 1.68 1.01 0.90 -1.31 120.40 124.87 2cqo s VAL 44 Ca 0.18 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.21 2cqo s VAL 44 Cb -0.12 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.43 2cqo s VAL 44 CO 0.08 -0.31 0.58 1.57 0.00 0.00 0.00 175.10 177.02 2cqo n HIS 45 N 4.51 -0.47 0.14 5.22 -0.00 -1.26 -1.77 115.22 121.58 2cqo n HIS 45 Ca -0.08 0.47 0.09 0.00 0.46 0.00 0.00 57.72 58.65 2cqo n HIS 45 Cb 0.42 -1.98 0.58 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 0.39 0.17 0.00 1.57 0.11 -1.77 0.91 114.38 115.76 2cqo h ARG 46 Ca -0.45 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.62 2cqo h ARG 46 Cb 1.39 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.44 2cqo h ARG 46 CO 0.48 0.11 -0.00 0.00 0.10 0.00 0.00 179.97 180.66 2cqo h THR 47 N 0.18 0.01 0.00 0.08 1.03 -1.88 -3.09 112.91 109.24 2cqo h THR 47 Ca 0.09 -0.76 -0.07 0.00 -0.01 0.00 0.00 66.41 65.65 2cqo h THR 47 Cb 0.13 1.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.95 2cqo h THR 47 CO -0.02 0.00 -1.70 1.41 -0.01 0.00 0.00 175.52 175.20 2cqo n HIS 48 N -3.10 0.40 -0.06 0.00 8.25 0.09 -4.37 115.22 116.44 2cqo n HIS 48 Ca 0.02 0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2cqo n HIS 48 Cb 0.42 -0.78 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 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 -0.14 -5.26 -0.41 2.86 -0.84 0.89 114.93 112.02 2cqo h MET 49 Ca -0.10 0.01 -0.39 0.00 -2.06 0.00 0.00 59.70 57.16 2cqo h MET 49 Cb 1.25 0.03 -0.20 0.00 0.06 0.00 0.00 31.60 32.75 2cqo h MET 49 CO 0.01 -0.10 -0.76 -1.12 1.06 0.00 0.00 176.91 176.00 2cqo s SER 50 N -5.10 1.68 -0.02 1.22 0.01 -1.26 -3.39 113.70 106.84 2cqo s SER 50 Ca -0.14 -0.70 -0.16 0.00 1.31 0.00 0.00 55.95 56.26 2cqo s SER 50 Cb 0.12 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.23 2cqo s SER 50 CO 0.69 -0.13 0.71 -1.28 0.41 0.00 0.00 173.24 173.64 2cqo h SER 51 N 3.97 -0.48 -1.95 2.44 0.87 -1.84 -3.45 113.55 113.11 2cqo h SER 51 Ca -0.40 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 59.99 2cqo h SER 51 Cb 1.19 0.12 0.11 0.00 -0.44 0.00 0.00 62.40 63.39 2cqo h SER 51 CO 0.45 -0.12 -0.09 0.00 -0.53 0.00 0.00 176.83 176.54 2cqo s ARG 53 N -3.75 4.17 -0.15 0.00 6.06 -1.26 -4.98 118.95 119.03 2cqo s ARG 53 Ca 0.35 2.47 -0.14 0.00 -2.50 0.00 0.00 55.73 55.91 2cqo s ARG 53 Cb -0.06 -3.56 -0.05 0.00 0.06 0.00 0.00 34.95 31.34 2cqo s ARG 53 CO 0.30 -0.78 0.30 0.08 -2.50 0.00 0.00 175.30 172.70 2cqo s VAL 54 N 2.58 5.30 -0.07 7.11 1.01 -1.26 -4.97 120.40 130.10 2cqo s VAL 54 Ca 0.77 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 2cqo s VAL 54 Cb -0.43 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2cqo s VAL 54 CO 0.34 0.40 -0.12 -0.67 0.00 0.00 0.00 175.10 175.05 2cqo n ASP 55 N 3.45 0.84 -3.70 3.32 2.03 -1.26 -5.01 116.55 116.22 2cqo n ASP 55 Ca -0.12 0.14 -0.26 0.00 0.52 0.00 0.00 54.79 55.07 2cqo n ASP 55 Cb 0.52 -0.32 -0.17 0.00 -0.72 0.00 0.00 41.12 40.43 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 -2.20 0.41 0.40 -0.67 1.02 -1.26 -5.01 119.74 112.43 2cqo s LYS 56 Ca -0.12 -0.17 0.19 0.00 0.02 0.00 0.00 55.97 55.88 2cqo s LYS 56 Cb 0.04 -1.72 0.83 0.00 -0.52 0.00 0.00 37.83 36.46 2cqo s LYS 56 CO 0.16 -0.57 1.82 -1.00 -0.92 0.00 0.00 175.35 174.83 2cqo h PRO 57 N 8.33 0.00 0.00 -1.68 0.13 -1.85 -2.61 132.00 134.32 2cqo h PRO 57 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2cqo h PRO 57 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2cqo h PRO 57 CO 0.30 0.33 0.00 0.43 -0.23 0.00 0.00 178.00 178.83 2cqo n SER 58 N -3.68 0.00 -0.60 1.44 7.64 -1.26 -1.83 113.62 115.32 2cqo n SER 58 Ca -0.01 0.28 0.08 0.00 1.01 0.00 0.00 58.87 60.24 2cqo n SER 58 Cb 0.44 -0.40 0.05 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.40 1.48 -0.11 1.43 -0.58 -0.98 -4.52 120.64 115.96 2cqo n GLU 59 Ca 0.06 -1.33 -0.24 0.00 -0.42 0.00 0.00 57.16 55.23 2cqo n GLU 59 Cb 0.16 -1.32 -0.11 0.00 -0.57 0.00 0.00 31.44 29.60 2cqo n GLU 59 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2cqo n ILE 60 N 0.66 1.56 -4.34 -3.67 5.41 -0.76 -5.04 119.36 113.18 2cqo n ILE 60 Ca 0.09 -0.25 -0.18 0.00 1.00 0.00 0.00 62.75 63.41 2cqo n ILE 60 Cb 0.41 -1.92 -0.09 0.00 -0.71 0.00 0.00 39.64 37.33 2cqo n ILE 60 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2cqo s VAL 61 N -2.44 0.39 -0.20 1.39 -7.23 -1.20 -5.15 120.40 105.96 2cqo s VAL 61 Ca -0.32 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.67 2cqo s VAL 61 Cb 0.09 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2cqo s VAL 61 CO 0.58 0.00 0.52 1.51 -0.31 0.00 0.00 175.10 177.40 2cqo s ASP 62 N -3.37 -0.55 -0.46 4.85 -4.77 -1.26 -4.71 116.67 106.40 2cqo s ASP 62 Ca 0.36 1.05 -0.42 0.00 -3.30 0.00 0.00 52.55 50.24 2cqo s ASP 62 Cb 0.06 1.06 -0.18 0.00 -1.09 0.00 0.00 42.92 42.76 2cqo s ASP 62 CO 0.16 -0.18 1.60 0.52 0.70 0.00 0.00 175.17 177.97 2cqo n VAL 63 N 2.89 0.00 0.00 2.11 0.31 -1.26 -0.77 118.33 121.61 2cqo n VAL 63 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2cqo n VAL 63 Cb 0.56 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 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 4.56 2.23 3.70 2.92 0.00 -0.96 -5.00 105.19 112.63 2cqo n GLY 64 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.83 7.08 -0.11 1.61 1.11 0.05 -4.83 116.67 119.74 2cqo s ASP 65 Ca 0.00 1.31 -0.16 0.00 0.18 0.00 0.00 52.55 53.88 2cqo s ASP 65 Cb 0.00 -2.47 -0.05 0.00 1.07 0.00 0.00 42.92 41.48 2cqo s ASP 65 CO 0.00 -0.24 0.39 -0.75 1.18 0.00 0.00 175.17 175.74 2cqo s LYS 66 N 1.28 4.22 0.20 8.23 2.20 -1.26 -1.86 119.74 132.75 2cqo s LYS 66 Ca 0.42 0.30 -0.02 0.00 -0.36 0.00 0.00 55.97 56.30 2cqo s LYS 66 Cb -0.18 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2cqo s LYS 66 CO 0.19 0.29 0.16 0.14 -0.36 0.00 0.00 175.35 175.77 2cqo s VAL 67 N 0.23 0.00 -0.16 4.02 -7.23 -0.03 -4.98 120.40 112.26 2cqo s VAL 67 Ca 0.22 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 2cqo s VAL 67 Cb -0.14 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2cqo s VAL 67 CO 0.08 -0.01 0.21 0.26 -0.31 0.00 0.00 175.10 175.33 2cqo s TRP 68 N -4.15 3.49 0.19 2.82 0.52 -1.26 -1.45 118.94 119.10 2cqo s TRP 68 Ca 0.37 0.51 0.04 0.00 0.02 0.00 0.00 56.10 57.04 2cqo s TRP 68 Cb 0.06 -2.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.15 2cqo s TRP 68 CO 0.12 0.39 -0.04 0.14 0.02 0.00 0.00 176.95 177.57 2cqo s VAL 69 N 0.01 1.05 -0.03 4.03 -7.23 -0.77 -4.59 120.40 112.87 2cqo s VAL 69 Ca 0.13 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2cqo s VAL 69 Cb -0.12 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.72 2cqo s VAL 69 CO 0.02 -0.52 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.50 2cqo s LYS 70 N -3.82 0.62 0.11 4.82 2.20 0.03 -2.02 119.74 121.68 2cqo s LYS 70 Ca 0.23 -0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.41 2cqo s LYS 70 Cb 0.04 -0.64 -0.08 0.00 -1.51 0.00 0.00 37.83 35.64 2cqo s LYS 70 CO 0.05 -0.01 1.41 -1.17 -0.36 0.00 0.00 175.35 175.26 2cqo s LEU 71 N 0.54 4.37 -0.04 5.43 2.96 -0.68 -0.86 118.68 130.40 2cqo s LEU 71 Ca -0.07 2.34 0.07 0.00 -0.22 0.00 0.00 54.13 56.25 2cqo s LEU 71 Cb -0.10 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.91 2cqo s LEU 71 CO -0.00 -0.67 0.09 2.30 -1.32 0.00 0.00 176.35 176.75 2cqo n ILE 72 N 3.98 0.22 -3.19 6.68 -5.35 -0.61 -1.54 119.36 119.55 2cqo n ILE 72 Ca 0.12 -0.22 0.04 0.00 -0.27 0.00 0.00 62.75 62.41 2cqo n ILE 72 Cb 0.42 -0.22 -0.01 0.00 -1.74 0.00 0.00 39.64 38.09 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 -3.30 -0.97 -0.19 3.28 0.00 -1.24 -4.89 107.32 100.02 2cqo s GLY 73 Ca -0.03 1.91 -0.06 0.00 0.00 0.00 0.00 44.72 46.54 2cqo s GLY 73 CO 0.28 3.36 0.03 1.09 0.00 0.00 0.00 173.10 177.86 2cqo s ARG 74 N 2.86 3.77 -0.05 2.90 1.70 -1.26 -1.38 118.95 127.50 2cqo s ARG 74 Ca 0.18 -0.45 -0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2cqo s ARG 74 Cb -0.15 -3.14 0.03 0.00 -0.57 0.00 0.00 34.95 31.13 2cqo s ARG 74 CO -0.21 0.13 0.02 -1.21 -1.08 0.00 0.00 175.30 172.95 2cqo s GLU 75 N 0.72 0.31 -0.24 3.89 2.02 -0.41 -5.05 118.70 119.93 2cqo s GLU 75 Ca 0.01 0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.17 2cqo s GLU 75 Cb -0.14 -0.65 0.03 0.00 0.10 0.00 0.00 34.13 33.47 2cqo s GLU 75 CO 0.02 -0.24 -0.10 -1.64 0.02 0.00 0.00 175.26 173.32 2cqo s MET 76 N 1.64 2.75 0.02 1.61 -1.94 -1.26 -0.63 119.30 121.49 2cqo s MET 76 Ca -0.01 -1.02 0.06 0.00 -1.71 0.00 0.00 55.69 53.01 2cqo s MET 76 Cb -0.13 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 2cqo s MET 76 CO -0.03 -0.40 -0.17 0.21 -0.01 0.00 0.00 175.02 174.62 2cqo s LYS 77 N 1.27 2.19 0.27 2.03 2.47 -0.03 -4.99 119.74 122.95 2cqo s LYS 77 Ca -0.01 -0.91 0.18 0.00 -1.56 0.00 0.00 55.97 53.67 2cqo s LYS 77 Cb -0.17 -2.24 0.97 0.00 -1.46 0.00 0.00 37.83 34.93 2cqo s LYS 77 CO -0.06 0.56 1.54 0.27 0.16 0.00 0.00 175.35 177.82 2cqo n ASN 78 N 1.73 0.46 -0.07 1.43 6.94 -1.26 -0.96 115.26 123.54 2cqo n ASN 78 Ca -0.16 0.72 -0.08 0.00 -0.02 0.00 0.00 54.58 55.04 2cqo n ASN 78 Cb 0.52 -0.77 -0.15 0.00 -2.36 0.00 0.00 39.78 37.02 2cqo n ASN 78 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2cqo n ASP 79 N -2.13 0.26 -3.60 0.53 8.00 -1.26 -5.04 116.55 113.32 2cqo n ASP 79 Ca -0.01 0.12 -0.05 0.00 0.71 0.00 0.00 54.79 55.56 2cqo n ASP 79 Cb 0.03 0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqo s ARG 80 N -2.61 0.29 -0.13 -1.24 1.70 -0.13 -5.16 118.95 111.66 2cqo s ARG 80 Ca -0.08 -0.06 -0.03 0.00 -0.47 0.00 0.00 55.73 55.09 2cqo s ARG 80 Cb 0.07 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 2cqo s ARG 80 CO 0.83 -0.12 -0.04 0.42 -1.08 0.00 0.00 175.30 175.31 2cqo s ILE 81 N -2.01 3.87 -0.14 4.99 1.01 -1.26 -0.85 121.20 126.81 2cqo s ILE 81 Ca 0.08 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2cqo s ILE 81 Cb -0.01 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2cqo s ILE 81 CO -0.05 0.52 -0.18 -0.54 0.00 0.00 0.00 174.94 174.70 2cqo s LYS 82 N 0.06 2.58 -0.08 2.79 3.01 0.20 -4.99 119.74 123.32 2cqo s LYS 82 Ca -0.00 -0.68 0.05 0.00 -1.01 0.00 0.00 55.97 54.32 2cqo s LYS 82 Cb -0.13 -2.20 -0.00 0.00 -1.01 0.00 0.00 37.83 34.49 2cqo s LYS 82 CO 0.03 -0.11 -0.23 0.08 0.51 0.00 0.00 175.35 175.63 2cqo s VAL 83 N 1.10 1.93 -0.18 3.17 1.01 -1.26 -1.29 120.40 124.89 2cqo s VAL 83 Ca -0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 2cqo s VAL 83 Cb -0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 2cqo s VAL 83 CO -0.06 0.54 -0.04 -0.55 0.00 0.00 0.00 175.10 174.99 2cqo s SER 84 N 0.15 4.59 0.14 3.32 0.15 -0.48 -1.89 113.70 119.69 2cqo s SER 84 Ca -0.12 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.38 2cqo s SER 84 Cb -0.16 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 2cqo s SER 84 CO 0.06 0.10 -0.18 -0.76 1.20 0.00 0.00 173.24 173.66 2cqo s LEU 85 N 0.77 2.40 0.10 3.45 1.43 -0.43 -1.57 118.68 124.83 2cqo s LEU 85 Ca -0.02 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.32 2cqo s LEU 85 Cb -0.15 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2cqo s LEU 85 CO 0.02 -0.03 -0.12 -0.44 0.23 0.00 0.00 176.35 176.01 2cqo s SER 86 N -2.46 1.64 0.00 2.29 0.01 -0.04 -4.15 113.70 110.99 2cqo s SER 86 Ca 0.13 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2cqo s SER 86 Cb -0.07 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2cqo s SER 86 CO 0.06 -0.19 0.00 0.23 0.41 0.00 0.00 173.24 173.75 2cqo n MET 87 N 0.73 3.50 0.00 12.44 2.81 -0.95 -0.79 117.12 134.86 2cqo n MET 87 Ca -0.17 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.77 2cqo n MET 87 Cb 0.57 -0.95 0.27 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 -1.83 0.08 -0.34 0.03 2.85 0.26 -1.67 118.16 117.54 2cqo n LYS 88 Ca 0.00 0.24 0.08 0.00 -1.05 0.00 0.00 58.31 57.58 2cqo n LYS 88 Cb 0.43 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.52 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 -1.40 2.16 -3.76 0.58 0.24 -1.26 -4.71 118.33 110.17 2cqo n VAL 89 Ca 0.04 -2.18 -0.13 0.00 -2.04 0.00 0.00 64.34 60.04 2cqo n VAL 89 Cb 0.11 -0.26 -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 -2.91 -0.02 0.06 3.34 1.01 -0.67 -2.62 120.40 118.59 2cqo s VAL 90 Ca 0.38 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 2cqo s VAL 90 Cb 0.33 -0.36 -0.08 0.00 0.00 0.00 0.00 36.38 36.27 2cqo s VAL 90 CO 0.05 0.03 1.57 0.21 0.00 0.00 0.00 175.10 176.96 2cqo s ASN 91 N 0.68 6.67 -0.34 3.32 3.84 -1.09 -4.89 114.94 123.13 2cqo s ASN 91 Ca -0.05 2.40 -0.03 0.00 0.21 0.00 0.00 52.86 55.40 2cqo s ASN 91 Cb -0.06 -2.57 0.11 0.00 -0.55 0.00 0.00 41.25 38.18 2cqo s ASN 91 CO -0.04 -0.83 2.45 0.00 -2.79 0.00 0.00 177.10 175.89 2cqo n GLN 92 N 5.31 2.04 0.00 0.43 1.13 -1.26 -2.54 117.38 122.48 2cqo n GLN 92 Ca 0.15 -1.80 0.00 0.00 -1.94 0.00 0.00 57.00 53.41 2cqo n GLN 92 Cb 0.41 -1.84 0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 0.76 0.20 0.02 1.08 0.00 -1.26 -4.93 105.19 101.06 2cqo n GLY 93 Ca 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.16 0.26 -0.79 2.61 -2.24 -1.25 -5.04 114.28 106.67 2cqo n THR 94 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2cqo n THR 94 Cb 0.00 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 2.90 1.00 3.79 3.38 0.00 -1.05 -5.05 105.19 110.16 2cqo n GLY 95 Ca -0.07 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.89 4.01 0.15 1.61 2.20 -1.26 -4.83 119.74 119.73 2cqo s LYS 96 Ca 0.00 0.22 -0.33 0.00 -0.36 0.00 0.00 55.97 55.50 2cqo s LYS 96 Cb 0.00 -3.31 -0.13 0.00 -1.51 0.00 0.00 37.83 32.88 2cqo s LYS 96 CO 0.00 0.48 1.67 -3.47 -0.36 0.00 0.00 175.35 173.68 2cqo n ASP 97 N 2.67 3.48 0.01 1.43 -0.08 -1.26 -2.67 116.55 120.13 2cqo n ASP 97 Ca -0.13 1.06 0.08 0.00 -1.51 0.00 0.00 54.79 54.28 2cqo n ASP 97 Cb 0.52 -1.48 -0.12 0.00 2.34 0.00 0.00 41.12 42.39 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 4.08 0.28 -3.73 -2.67 4.77 -1.08 -4.61 117.00 114.04 2cqo n LEU 98 Ca 0.17 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.99 2cqo n LEU 98 Cb 0.31 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.34 2cqo n LEU 98 CO 0.65 0.02 0.01 -0.90 -1.33 0.00 0.00 177.39 175.84 2cqo n ASP 99 N -2.47 3.30 0.00 -1.43 5.75 -1.25 -4.90 116.55 115.55 2cqo n ASP 99 Ca -0.07 -3.30 0.07 0.00 -0.01 0.00 0.00 54.79 51.49 2cqo n ASP 99 Cb 0.65 -0.73 0.44 0.00 -1.03 0.00 0.00 41.12 40.46 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2cqo n PRO 100 N 1.56 0.49 -0.07 0.11 -0.04 -1.26 -2.43 135.00 133.35 2cqo n PRO 100 Ca 0.24 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2cqo n PRO 100 Cb 0.37 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 2cqo n PRO 100 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2cqo n ASN 101 N -0.98 1.70 -3.29 3.54 0.23 -1.26 -5.04 115.26 110.17 2cqo n ASN 101 Ca 0.11 -0.02 -0.16 0.00 -0.53 0.00 0.00 54.58 53.98 2cqo n ASN 101 Cb 0.05 0.63 0.08 0.00 -2.08 0.00 0.00 39.78 38.46 2cqo n ASN 101 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2cqo n ASN 102 N -2.63 -3.07 -0.03 0.53 3.02 -1.02 -4.94 115.26 107.13 2cqo n ASN 102 Ca -0.25 -0.61 0.03 0.00 -0.03 0.00 0.00 54.58 53.72 2cqo n ASN 102 Cb 0.94 -4.95 -0.12 0.00 -0.61 0.00 0.00 39.78 35.05 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 0.31 0.06 2.41 0.31 -1.26 -4.52 118.33 111.84 2cqo n VAL 103 Ca -0.23 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 63.58 2cqo n VAL 103 Cb 0.65 -0.10 -0.07 0.00 -0.91 0.00 0.00 33.84 33.41 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 0.69 -0.87 2.52 5.03 -1.97 -3.20 117.51 119.71 2cqo h ILE 104 Ca -0.12 -1.10 0.25 0.00 -0.12 0.00 0.00 64.86 63.77 2cqo h ILE 104 Cb 1.08 1.19 -0.03 0.00 -3.03 0.00 0.00 36.82 36.02 2cqo h ILE 104 CO 0.01 0.19 0.86 0.16 -0.68 0.00 0.00 178.15 178.69 2cqo h ILE 105 N -0.92 0.22 -0.81 -0.67 -0.00 -2.00 -3.30 117.51 110.03 2cqo h ILE 105 Ca -0.02 0.00 -0.51 0.00 -0.00 0.00 0.00 64.86 64.33 2cqo h ILE 105 Cb 0.49 0.33 -0.07 0.00 -0.00 0.00 0.00 36.82 37.57 2cqo h ILE 105 CO 0.04 0.00 1.48 -0.70 -0.00 0.00 0.00 178.15 178.97 2cqo s GLU 106 N -4.62 3.27 -0.11 0.16 2.56 -1.21 -4.94 118.70 113.82 2cqo s GLU 106 Ca -0.04 -1.25 0.01 0.00 0.00 0.00 0.00 54.97 53.69 2cqo s GLU 106 Cb 0.17 -5.33 -0.02 0.00 2.00 0.00 0.00 34.13 30.95 2cqo s GLU 106 CO 0.59 -2.85 -0.14 -1.54 -0.56 0.00 0.00 175.26 170.76 2cqo s SER 107 N 5.66 3.99 -0.77 -1.70 1.04 -1.24 -5.03 113.70 115.65 2cqo s SER 107 Ca 0.58 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 2cqo s SER 107 Cb -0.00 -1.39 0.19 0.00 0.10 0.00 0.00 66.02 64.92 2cqo s SER 107 CO 0.03 0.22 0.62 -0.83 0.98 0.00 0.00 173.24 174.25 2cqo s GLY 108 N 0.04 2.85 0.17 7.32 0.00 -1.26 -5.07 107.32 111.37 2cqo s GLY 108 Ca -0.05 -3.64 -0.30 0.00 0.00 0.00 0.00 44.72 40.73 2cqo s GLY 108 CO 0.04 1.14 1.32 2.56 0.00 0.00 0.00 173.10 178.17 2cqo s PRO 109 N -0.91 4.37 0.33 2.90 0.04 -1.26 -5.04 135.00 135.43 2cqo s PRO 109 Ca 0.23 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.40 2cqo s PRO 109 Cb -0.12 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2cqo s PRO 109 CO -0.10 -0.30 0.21 -1.54 0.04 0.00 0.00 177.00 175.31 2cqo s SER 110 N 0.56 5.01 1.16 6.66 1.04 -1.26 -5.12 113.70 121.76 2cqo s SER 110 Ca 0.59 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 2cqo s SER 110 Cb -0.36 -0.89 0.24 0.00 0.10 0.00 0.00 66.02 65.11 2cqo s SER 110 CO 0.36 -0.29 0.52 -1.20 0.98 0.00 0.00 173.24 173.61 2cqo n SER 111 N -1.24 -3.32 0.00 7.02 7.64 -1.26 -5.35 113.62 117.10 2cqo n SER 111 Ca -0.03 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2cqo n SER 111 Cb 0.60 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2cqo n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64