#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 7.44 -0.29 1.61 0.01 -1.26 -4.98 113.70 116.23 2cqo s SER -5 Ca 0.00 1.70 0.15 0.00 1.31 0.00 0.00 55.95 59.12 2cqo s SER -5 Cb 0.00 -2.52 0.48 0.00 0.21 0.00 0.00 66.02 64.19 2cqo s SER -5 CO 0.00 0.19 1.12 -1.20 0.41 0.00 0.00 173.24 173.76 2cqo n SER -4 N 1.63 2.95 -3.62 2.44 7.64 -1.26 -5.08 113.62 118.33 2cqo n SER -4 Ca -0.05 -2.83 -0.02 0.00 1.01 0.00 0.00 58.87 56.98 2cqo n SER -4 Cb 0.48 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2cqo n SER -4 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqo s GLY -3 N -3.63 -0.17 0.13 0.23 0.00 -1.26 -5.19 107.32 97.43 2cqo s GLY -3 Ca 0.37 0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.94 2cqo s GLY -3 CO -0.02 0.96 0.95 -0.56 0.00 0.00 0.00 173.10 174.44 2cqo s SER -2 N -3.12 -0.20 0.03 1.64 0.01 -1.26 -5.19 113.70 105.61 2cqo s SER -2 Ca 0.16 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 2cqo s SER -2 Cb -0.00 0.47 0.10 0.00 0.21 0.00 0.00 66.02 66.80 2cqo s SER -2 CO 0.02 -0.85 1.20 -0.94 0.41 0.00 0.00 173.24 173.08 2cqo s SER -1 N -2.87 -0.08 0.00 2.44 1.04 -1.26 -5.15 113.70 107.81 2cqo s SER -1 Ca 0.11 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2cqo s SER -1 Cb -0.01 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2cqo s SER -1 CO 0.00 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2cqo n GLY 0 N -0.51 -0.95 2.93 7.32 0.00 -1.26 -5.16 105.19 107.55 2cqo n GLY 0 Ca -0.07 0.89 -0.14 0.00 0.00 0.00 0.00 46.02 46.70 2cqo n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cqo s MET 1 N 0.00 0.10 0.36 1.61 1.00 -1.26 -5.16 119.30 115.94 2cqo s MET 1 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 55.69 56.14 2cqo s MET 1 Cb 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 34.83 34.59 2cqo s MET 1 CO 0.00 -0.18 0.06 -0.80 0.00 0.00 0.00 175.02 174.10 2cqo s ASN 2 N 1.32 2.71 0.84 3.03 -0.87 -1.26 -5.15 114.94 115.56 2cqo s ASN 2 Ca -0.08 -1.43 -0.11 0.00 -1.57 0.00 0.00 52.86 49.66 2cqo s ASN 2 Cb -0.12 -0.00 0.10 0.00 -0.02 0.00 0.00 41.25 41.21 2cqo s ASN 2 CO -0.06 -0.65 1.09 -0.44 -2.57 0.00 0.00 177.10 174.47 2cqo s SER 3 N -3.55 3.96 0.15 -1.22 0.01 -1.26 -4.88 113.70 106.92 2cqo s SER 3 Ca 0.33 1.51 0.00 0.00 1.31 0.00 0.00 55.95 59.10 2cqo s SER 3 Cb 0.08 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.09 2cqo s SER 3 CO 0.15 -2.33 0.00 0.61 0.41 0.00 0.00 173.24 172.08 2cqo n GLY 4 N -1.40 -3.44 3.77 3.44 0.00 -1.26 -4.90 105.19 101.40 2cqo n GLY 4 Ca 0.07 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2cqo n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cqo s ARG 5 N -5.31 4.17 -0.34 1.61 3.52 -1.26 -4.91 118.95 116.43 2cqo s ARG 5 Ca 0.00 2.49 -0.29 0.00 -0.13 0.00 0.00 55.73 57.81 2cqo s ARG 5 Cb 0.00 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2cqo s ARG 5 CO 0.00 -0.47 1.69 -1.25 -0.81 0.00 0.00 175.30 174.46 2cqo s PRO 6 N -1.79 3.43 -0.98 5.12 0.04 -1.26 -4.84 135.00 134.72 2cqo s PRO 6 Ca 0.53 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 2cqo s PRO 6 Cb -0.45 -4.14 -0.30 0.00 0.04 0.00 0.00 34.50 29.64 2cqo s PRO 6 CO 0.59 -1.74 2.27 -1.91 0.04 0.00 0.00 177.00 176.25 2cqo n GLU 7 N 8.28 0.04 -4.28 4.56 2.13 -1.26 -4.82 120.64 125.30 2cqo n GLU 7 Ca 0.21 -0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.84 2cqo n GLU 7 Cb 0.47 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.80 2cqo n GLU 7 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2cqo s THR 8 N 2.66 0.70 -1.11 6.31 -4.23 -1.26 -4.67 115.64 114.04 2cqo s THR 8 Ca 1.30 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 59.60 2cqo s THR 8 Cb -0.88 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 70.67 2cqo s THR 8 CO 0.52 -0.32 1.71 -0.32 -0.54 0.00 0.00 174.62 175.68 2cqo s MET 9 N -3.94 3.31 0.27 3.99 1.75 -1.26 -4.83 119.30 118.59 2cqo s MET 9 Ca 0.29 -1.22 -0.03 0.00 -1.25 0.00 0.00 55.69 53.48 2cqo s MET 9 Cb 0.06 -5.33 0.55 0.00 2.84 0.00 0.00 34.83 32.96 2cqo s MET 9 CO 0.07 -2.76 1.43 -0.85 -0.65 0.00 0.00 175.02 172.26 2cqo n GLU 10 N 8.64 -0.08 -0.34 4.11 0.28 -1.26 0.43 120.64 132.42 2cqo n GLU 10 Ca 0.41 1.40 0.09 0.00 -0.16 0.00 0.00 57.16 58.90 2cqo n GLU 10 Cb 0.48 -2.15 0.19 0.00 1.43 0.00 0.00 31.44 31.39 2cqo n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2cqo n ASN 11 N -5.42 -0.26 -4.73 -1.84 4.05 -1.26 -4.43 115.26 101.36 2cqo n ASN 11 Ca 0.18 1.65 -0.33 0.00 0.45 0.00 0.00 54.58 56.52 2cqo n ASN 11 Cb 0.58 -0.54 0.09 0.00 1.23 0.00 0.00 39.78 41.14 2cqo n ASN 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2cqo s LEU 12 N -11.03 3.23 0.00 1.20 1.43 0.17 -4.87 118.68 108.80 2cqo s LEU 12 Ca -0.14 2.18 -0.16 0.00 -1.03 0.00 0.00 54.13 54.98 2cqo s LEU 12 Cb 0.27 -4.57 0.24 0.00 0.03 0.00 0.00 46.19 42.16 2cqo s LEU 12 CO 0.75 -2.21 0.85 -0.81 0.23 0.00 0.00 176.35 175.16 2cqo n PRO 13 N -2.97 -2.68 -2.41 1.29 -0.04 -1.26 -4.98 135.00 121.95 2cqo n PRO 13 Ca 0.12 -1.36 -0.25 0.00 -0.04 0.00 0.00 63.50 61.97 2cqo n PRO 13 Cb 0.51 -1.27 0.10 0.00 -0.04 0.00 0.00 33.50 32.80 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 -3.01 3.39 0.40 0.55 0.00 -1.26 -5.01 121.76 116.81 2cqo s ALA 14 Ca 0.55 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 50.86 2cqo s ALA 14 Cb -0.05 -2.27 -0.09 0.00 0.00 0.00 0.00 23.12 20.71 2cqo s ALA 14 CO 0.42 -1.45 1.26 -1.17 0.00 0.00 0.00 175.76 174.83 2cqo s LEU 15 N -5.21 4.23 -1.70 0.00 2.96 -1.26 -2.61 118.68 115.09 2cqo s LEU 15 Ca 0.64 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 2cqo s LEU 15 Cb -0.07 -3.91 0.00 0.00 0.50 0.00 0.00 46.19 42.71 2cqo s LEU 15 CO 0.45 -0.77 0.00 -1.22 -1.32 0.00 0.00 176.35 173.48 2cqo n TYR 16 N 0.18 -0.58 -3.14 5.38 4.01 0.12 -4.96 117.16 118.18 2cqo n TYR 16 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 2cqo n TYR 16 Cb 0.44 -3.45 -0.06 0.00 -0.31 0.00 0.00 39.34 35.97 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 -2.84 4.80 -0.21 -0.72 2.01 -1.07 -4.72 115.64 112.90 2cqo s THR 17 Ca 0.00 1.38 -0.09 0.00 0.31 0.00 0.00 61.69 63.29 2cqo s THR 17 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2cqo s THR 17 CO 0.00 0.43 0.11 -0.63 -0.69 0.00 0.00 174.62 173.84 2cqo s ILE 18 N -0.33 5.11 0.15 1.82 1.01 -1.26 -1.83 121.20 125.87 2cqo s ILE 18 Ca 0.33 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 2cqo s ILE 18 Cb -0.19 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.94 2cqo s ILE 18 CO 0.20 0.41 0.32 0.72 0.00 0.00 0.00 174.94 176.59 2cqo s PHE 19 N 0.66 0.20 -0.23 3.97 -0.12 -0.90 -5.02 117.98 116.53 2cqo s PHE 19 Ca 0.06 -0.56 -0.09 0.00 -0.05 0.00 0.00 56.93 56.28 2cqo s PHE 19 Cb -0.12 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2cqo s PHE 19 CO 0.01 -0.72 0.13 -1.14 -0.05 0.00 0.00 175.22 173.45 2cqo s GLN 20 N -3.91 3.96 0.11 1.99 0.74 -1.26 -1.99 119.66 119.29 2cqo s GLN 20 Ca 0.12 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.23 2cqo s GLN 20 Cb 0.03 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 2cqo s GLN 20 CO -0.04 0.03 -0.08 0.20 -0.55 0.00 0.00 175.29 174.85 2cqo s GLY 21 N 1.11 0.83 -0.07 2.59 0.00 -0.57 -4.19 107.32 107.02 2cqo s GLY 21 Ca 0.06 -1.34 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 2cqo s GLY 21 CO 0.04 -1.44 0.08 1.85 0.00 0.00 0.00 173.10 173.64 2cqo s GLU 22 N -3.62 3.19 0.03 2.90 2.12 -1.19 -1.12 118.70 121.00 2cqo s GLU 22 Ca 0.11 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 2cqo s GLU 22 Cb 0.03 -2.96 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 2cqo s GLU 22 CO -0.03 0.71 1.49 0.08 -0.54 0.00 0.00 175.26 176.97 2cqo s VAL 23 N -1.06 3.47 -0.05 3.70 1.01 -0.28 -1.44 120.40 125.76 2cqo s VAL 23 Ca 0.18 0.88 0.12 0.00 0.00 0.00 0.00 61.98 63.16 2cqo s VAL 23 Cb -0.12 -3.57 -0.19 0.00 0.00 0.00 0.00 36.38 32.51 2cqo s VAL 23 CO 0.08 -0.00 0.22 0.00 0.00 0.00 0.00 175.10 175.39 2cqo n ALA 24 N 5.44 2.26 -3.17 5.51 0.00 0.12 -1.69 120.51 128.97 2cqo n ALA 24 Ca 0.14 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 2cqo n ALA 24 Cb 0.42 -0.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.73 0.35 -0.14 0.00 1.75 -1.23 -4.89 119.30 112.41 2cqo s MET 25 Ca -0.05 0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 2cqo s MET 25 Cb 0.07 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.92 2cqo s MET 25 CO 0.53 -0.04 -0.19 0.08 -0.65 0.00 0.00 175.02 174.74 2cqo s VAL 26 N 0.10 1.86 0.23 10.11 1.01 -1.26 -0.41 120.40 132.03 2cqo s VAL 26 Ca -0.01 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2cqo s VAL 26 Cb -0.02 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2cqo s VAL 26 CO 0.01 0.51 -0.06 0.42 0.00 0.00 0.00 175.10 175.97 2cqo s THR 27 N 0.98 1.36 -1.75 3.92 -4.23 0.17 -5.00 115.64 111.09 2cqo s THR 27 Ca -0.04 -2.10 0.20 0.00 -1.18 0.00 0.00 61.69 58.57 2cqo s THR 27 Cb -0.15 -2.25 0.47 0.00 1.34 0.00 0.00 72.50 71.92 2cqo s THR 27 CO -0.04 -0.43 1.60 -0.90 -0.54 0.00 0.00 174.62 174.31 2cqo n ASP 28 N -0.43 0.00 -0.03 3.99 5.75 -1.26 -2.09 116.55 122.48 2cqo n ASP 28 Ca -0.07 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 2cqo n ASP 28 Cb 0.63 -0.13 0.01 0.00 -1.03 0.00 0.00 41.12 40.60 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqo n TYR 29 N -1.13 0.02 -0.77 2.11 0.18 -1.26 -4.77 117.16 111.54 2cqo n TYR 29 Ca 0.13 -0.42 0.00 0.00 1.88 0.00 0.00 57.90 59.48 2cqo n TYR 29 Cb 0.11 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 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 -0.37 0.53 3.02 -7.48 0.00 -0.89 -2.11 105.19 97.89 2cqo n GLY 30 Ca 0.01 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 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 0.04 -0.15 4.61 0.00 -0.49 0.41 121.76 125.19 2cqo s ALA 31 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.25 2cqo s ALA 31 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2cqo s ALA 31 CO 0.00 -0.20 0.41 -0.06 0.00 0.00 0.00 175.76 175.92 2cqo s PHE 32 N -1.70 3.47 -0.16 0.00 0.40 0.46 -0.12 117.98 120.32 2cqo s PHE 32 Ca -0.13 0.76 -0.01 0.00 -0.60 0.00 0.00 56.93 56.94 2cqo s PHE 32 Cb -0.08 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 2cqo s PHE 32 CO -0.01 0.15 -0.12 0.42 0.70 0.00 0.00 175.22 176.35 2cqo s ILE 33 N 0.74 2.95 -0.15 0.64 -1.09 0.21 -0.70 121.20 123.80 2cqo s ILE 33 Ca 0.22 -0.67 -0.26 0.00 -2.23 0.00 0.00 60.65 57.71 2cqo s ILE 33 Cb -0.14 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 2cqo s ILE 33 CO 0.08 0.50 0.88 -0.54 -1.23 0.00 0.00 174.94 174.63 2cqo s LYS 34 N 0.85 4.34 0.19 2.79 1.02 -0.52 -2.32 119.74 126.09 2cqo s LYS 34 Ca -0.04 1.13 -0.30 0.00 0.02 0.00 0.00 55.97 56.78 2cqo s LYS 34 Cb -0.15 -3.56 -0.08 0.00 -0.52 0.00 0.00 37.83 33.52 2cqo s LYS 34 CO 0.00 -0.32 0.95 0.42 -0.92 0.00 0.00 175.35 175.48 2cqo s ILE 35 N 2.09 4.21 0.09 2.17 1.01 -1.26 -3.20 121.20 126.32 2cqo s ILE 35 Ca 0.41 2.08 -0.31 0.00 0.00 0.00 0.00 60.65 62.83 2cqo s ILE 35 Cb -0.17 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.90 2cqo s ILE 35 CO 0.14 0.43 1.37 -2.16 0.00 0.00 0.00 174.94 174.72 2cqo s PRO 36 N -0.76 4.33 -0.83 2.79 0.04 -1.26 -3.01 135.00 136.30 2cqo s PRO 36 Ca 0.43 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 2cqo s PRO 36 Cb -0.25 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2cqo s PRO 36 CO 0.31 -0.44 0.21 0.41 0.04 0.00 0.00 177.00 177.53 2cqo n GLY 37 N 3.49 0.02 3.31 0.56 0.00 -1.26 -5.02 105.19 106.29 2cqo n GLY 37 Ca 0.11 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.63 0.20 -2.17 0.00 1.74 -1.26 -4.92 116.66 109.61 2cqo n ARG 39 Ca 0.05 0.08 -0.33 0.00 -0.77 0.00 0.00 57.85 56.89 2cqo n ARG 39 Cb 0.63 -0.83 -0.00 0.00 -1.02 0.00 0.00 32.46 31.23 2cqo n ARG 39 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2cqo s LYS 40 N -2.22 3.47 0.34 5.56 2.47 -1.26 -4.98 119.74 123.12 2cqo s LYS 40 Ca -0.12 1.19 0.09 0.00 -1.56 0.00 0.00 55.97 55.57 2cqo s LYS 40 Cb 0.04 -2.06 -0.05 0.00 -1.46 0.00 0.00 37.83 34.30 2cqo s LYS 40 CO 0.16 -0.68 0.03 -0.65 0.16 0.00 0.00 175.35 174.37 2cqo s GLN 41 N -3.95 2.13 0.18 4.03 -0.21 -1.26 -4.39 119.66 116.19 2cqo s GLN 41 Ca 0.63 -1.71 0.11 0.00 0.02 0.00 0.00 55.36 54.42 2cqo s GLN 41 Cb -0.15 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 2cqo s GLN 41 CO 0.34 0.13 -0.25 0.20 -2.12 0.00 0.00 175.29 173.59 2cqo s GLY 42 N -3.74 1.68 -0.13 3.09 0.00 -0.98 -4.72 107.32 102.53 2cqo s GLY 42 Ca 0.35 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 2cqo s GLY 42 CO 0.20 -1.62 0.04 -2.27 0.00 0.00 0.00 173.10 169.45 2cqo s LEU 43 N -2.54 3.77 -0.28 0.66 2.96 -0.85 -0.62 118.68 121.78 2cqo s LEU 43 Ca 0.19 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 2cqo s LEU 43 Cb -0.08 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.71 2cqo s LEU 43 CO 0.09 0.30 0.04 -0.69 -1.32 0.00 0.00 176.35 174.77 2cqo s VAL 44 N -0.42 3.65 0.39 1.68 1.01 0.83 -1.24 120.40 126.29 2cqo s VAL 44 Ca 0.09 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2cqo s VAL 44 Cb -0.12 -2.86 -0.11 0.00 0.00 0.00 0.00 36.38 33.29 2cqo s VAL 44 CO 0.02 0.13 1.11 1.57 0.00 0.00 0.00 175.10 177.93 2cqo n HIS 45 N 4.81 1.57 0.15 5.22 -0.00 -1.25 -1.39 115.22 124.33 2cqo n HIS 45 Ca -0.15 0.57 0.07 0.00 0.46 0.00 0.00 57.72 58.66 2cqo n HIS 45 Cb 0.48 -2.29 0.56 0.00 -0.12 0.00 0.00 29.99 28.62 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 1.88 0.20 0.00 1.57 0.11 -1.76 0.48 114.38 116.86 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 1.32 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2cqo h ARG 46 CO 0.59 0.13 0.00 0.00 0.10 0.00 0.00 179.97 180.79 2cqo h THR 47 N 0.21 0.00 0.00 0.08 1.03 -1.87 -3.18 112.91 109.18 2cqo h THR 47 Ca 0.07 -0.60 -0.24 0.00 -0.01 0.00 0.00 66.41 65.63 2cqo h THR 47 Cb 0.01 1.56 -0.04 0.00 -1.07 0.00 0.00 68.15 68.61 2cqo h THR 47 CO -0.01 0.00 -1.75 1.41 -0.01 0.00 0.00 175.52 175.15 2cqo n HIS 48 N -2.57 0.72 -0.33 0.00 8.25 0.01 -4.19 115.22 117.10 2cqo n HIS 48 Ca 0.04 0.25 0.05 0.00 -0.26 0.00 0.00 57.72 57.80 2cqo n HIS 48 Cb 0.42 -1.06 0.21 0.00 1.12 0.00 0.00 29.99 30.68 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 0.89 -4.93 -0.41 2.86 -1.14 0.61 114.93 112.81 2cqo h MET 49 Ca -0.27 -0.05 -0.38 0.00 -2.06 0.00 0.00 59.70 56.93 2cqo h MET 49 Cb 1.82 -0.20 -0.25 0.00 0.06 0.00 0.00 31.60 33.04 2cqo h MET 49 CO 0.05 0.59 -0.77 -1.12 1.06 0.00 0.00 176.91 176.72 2cqo s SER 50 N -5.66 1.25 0.01 1.22 0.01 -1.25 -4.18 113.70 105.09 2cqo s SER 50 Ca -0.12 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 56.57 2cqo s SER 50 Cb 0.21 -0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.28 2cqo s SER 50 CO 0.80 -0.01 1.03 0.77 0.41 0.00 0.00 173.24 176.23 2cqo h SER 51 N 5.08 -0.53 -2.33 2.44 4.64 -1.82 -3.45 113.55 117.57 2cqo h SER 51 Ca -0.35 0.02 -0.33 0.00 -0.47 0.00 0.00 61.79 60.66 2cqo h SER 51 Cb 1.19 0.14 0.18 0.00 -0.31 0.00 0.00 62.40 63.59 2cqo h SER 51 CO 0.45 -0.31 -0.46 0.00 -0.87 0.00 0.00 176.83 175.64 2cqo s ARG 53 N -3.86 4.24 -0.04 0.00 3.00 -1.26 -5.01 118.95 116.01 2cqo s ARG 53 Ca 0.50 2.34 0.04 0.00 -1.00 0.00 0.00 55.73 57.61 2cqo s ARG 53 Cb -0.10 -3.12 -0.03 0.00 0.00 0.00 0.00 34.95 31.70 2cqo s ARG 53 CO 0.49 -0.50 -0.15 0.08 0.00 0.00 0.00 175.30 175.22 2cqo s VAL 54 N 0.37 3.02 0.00 7.11 1.01 -1.26 -4.99 120.40 125.66 2cqo s VAL 54 Ca 0.63 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2cqo s VAL 54 Cb -0.43 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2cqo s VAL 54 CO 0.40 0.57 0.00 -0.67 0.00 0.00 0.00 175.10 175.40 2cqo n ASP 55 N 2.24 2.78 -3.61 3.32 -0.08 -1.26 -4.95 116.55 114.99 2cqo n ASP 55 Ca -0.17 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.83 2cqo n ASP 55 Cb 0.52 0.27 -0.11 0.00 2.34 0.00 0.00 41.12 44.14 2cqo n ASP 55 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2cqo s LYS 56 N -1.56 1.37 0.52 -0.67 1.02 -1.26 -4.95 119.74 114.22 2cqo s LYS 56 Ca 0.00 -2.34 0.31 0.00 0.02 0.00 0.00 55.97 53.96 2cqo s LYS 56 Cb 0.00 -2.15 1.29 0.00 -0.52 0.00 0.00 37.83 36.45 2cqo s LYS 56 CO 0.00 -1.29 1.96 -1.00 -0.92 0.00 0.00 175.35 174.10 2cqo h PRO 57 N 5.96 0.00 0.00 -1.68 0.13 -1.86 -2.64 132.00 131.90 2cqo h PRO 57 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2cqo h PRO 57 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2cqo h PRO 57 CO 0.48 0.08 0.00 0.43 -0.23 0.00 0.00 178.00 178.75 2cqo n SER 58 N -3.23 0.00 -0.00 1.44 7.64 -1.26 -1.87 113.62 116.34 2cqo n SER 58 Ca 0.00 0.48 0.07 0.00 1.01 0.00 0.00 58.87 60.42 2cqo n SER 58 Cb 0.33 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.49 2.14 0.08 1.43 -0.58 -1.00 -4.50 120.64 116.73 2cqo n GLU 59 Ca 0.04 -0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.54 2cqo n GLU 59 Cb 0.16 -1.18 -0.15 0.00 -0.57 0.00 0.00 31.44 29.70 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 1.01 -3.43 -3.67 2.04 -1.42 -3.47 117.51 108.56 2cqo h ILE 60 Ca 0.00 -2.58 -0.44 0.00 1.00 0.00 0.00 64.86 62.84 2cqo h ILE 60 Cb 0.37 2.80 -0.18 0.00 -0.74 0.00 0.00 36.82 39.08 2cqo h ILE 60 CO 0.00 0.85 -0.76 0.68 0.00 0.00 0.00 178.15 178.92 2cqo s VAL 61 N -2.59 1.47 -0.12 1.67 -7.23 -1.12 -5.14 120.40 107.35 2cqo s VAL 61 Ca -0.14 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 2cqo s VAL 61 Cb 0.05 -1.68 0.03 0.00 0.56 0.00 0.00 36.38 35.35 2cqo s VAL 61 CO 0.87 -0.43 0.30 -1.81 -0.31 0.00 0.00 175.10 173.71 2cqo s ASP 62 N -2.63 -0.32 -0.41 4.85 1.01 -1.26 -4.73 116.67 113.18 2cqo s ASP 62 Ca 0.12 0.61 -0.44 0.00 0.71 0.00 0.00 52.55 53.56 2cqo s ASP 62 Cb -0.04 0.58 -0.18 0.00 1.01 0.00 0.00 42.92 44.29 2cqo s ASP 62 CO 0.04 -0.12 1.74 0.52 0.21 0.00 0.00 175.17 177.56 2cqo n VAL 63 N 3.27 0.13 0.00 -1.27 0.31 -1.26 -1.09 118.33 118.41 2cqo n VAL 63 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2cqo n VAL 63 Cb 0.57 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 4.57 2.03 3.75 2.92 0.00 -0.68 -5.00 105.19 112.78 2cqo n GLY 64 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.81 7.26 -0.18 1.61 1.11 -0.25 -4.81 116.67 119.60 2cqo s ASP 65 Ca 0.00 1.50 -0.09 0.00 0.18 0.00 0.00 52.55 54.15 2cqo s ASP 65 Cb 0.00 -2.48 -0.05 0.00 1.07 0.00 0.00 42.92 41.46 2cqo s ASP 65 CO 0.00 0.05 0.12 -0.75 1.18 0.00 0.00 175.17 175.77 2cqo s LYS 66 N -0.28 3.97 0.17 8.23 2.20 -1.26 -1.12 119.74 131.65 2cqo s LYS 66 Ca 0.38 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 2cqo s LYS 66 Cb -0.21 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2cqo s LYS 66 CO 0.24 0.41 0.13 0.14 -0.36 0.00 0.00 175.35 175.91 2cqo s VAL 67 N 0.03 0.04 -0.14 4.02 -7.23 -0.28 -4.98 120.40 111.87 2cqo s VAL 67 Ca 0.09 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 2cqo s VAL 67 Cb -0.11 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2cqo s VAL 67 CO -0.00 -0.20 0.18 0.26 -0.31 0.00 0.00 175.10 175.02 2cqo s TRP 68 N -4.10 3.54 0.11 2.82 0.52 -1.26 -1.52 118.94 119.05 2cqo s TRP 68 Ca 0.31 0.52 0.01 0.00 0.02 0.00 0.00 56.10 56.96 2cqo s TRP 68 Cb 0.07 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 2cqo s TRP 68 CO 0.07 0.53 -0.04 0.14 0.02 0.00 0.00 176.95 177.68 2cqo s VAL 69 N -0.42 0.56 -0.06 4.03 -7.23 -0.84 -4.59 120.40 111.85 2cqo s VAL 69 Ca 0.14 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2cqo s VAL 69 Cb -0.12 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.07 2cqo s VAL 69 CO 0.03 -0.79 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.19 2cqo s LYS 70 N -3.88 1.38 0.12 4.82 2.20 0.13 -2.11 119.74 122.39 2cqo s LYS 70 Ca 0.14 -0.31 -0.31 0.00 -0.36 0.00 0.00 55.97 55.13 2cqo s LYS 70 Cb 0.06 -1.19 -0.10 0.00 -1.51 0.00 0.00 37.83 35.09 2cqo s LYS 70 CO -0.03 -0.00 1.71 -1.17 -0.36 0.00 0.00 175.35 175.49 2cqo s LEU 71 N 0.71 4.38 -0.03 5.43 2.96 -0.76 -0.82 118.68 130.54 2cqo s LEU 71 Ca -0.13 2.65 0.10 0.00 -0.22 0.00 0.00 54.13 56.52 2cqo s LEU 71 Cb -0.15 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.82 2cqo s LEU 71 CO 0.02 -0.93 0.17 2.30 -1.32 0.00 0.00 176.35 176.60 2cqo n ILE 72 N 4.52 0.15 -3.49 6.68 -5.35 -0.93 -0.70 119.36 120.24 2cqo n ILE 72 Ca 0.16 -0.26 0.01 0.00 -0.27 0.00 0.00 62.75 62.38 2cqo n ILE 72 Cb 0.39 0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 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 -3.37 -0.46 -0.11 3.28 0.00 -1.21 -4.89 107.32 100.55 2cqo s GLY 73 Ca -0.04 2.70 0.03 0.00 0.00 0.00 0.00 44.72 47.41 2cqo s GLY 73 CO 0.40 3.19 -0.22 1.09 0.00 0.00 0.00 173.10 177.56 2cqo s ARG 74 N 2.67 3.08 -0.03 2.90 1.70 -1.26 -1.69 118.95 126.32 2cqo s ARG 74 Ca -0.03 -0.85 -0.01 0.00 -0.47 0.00 0.00 55.73 54.37 2cqo s ARG 74 Cb -0.09 -2.37 0.03 0.00 -0.57 0.00 0.00 34.95 31.95 2cqo s ARG 74 CO -0.18 0.13 0.05 -1.21 -1.08 0.00 0.00 175.30 173.01 2cqo s GLU 75 N 0.46 -0.04 -0.25 3.89 2.02 -0.26 -5.05 118.70 119.47 2cqo s GLU 75 Ca -0.15 0.29 -0.00 0.00 0.02 0.00 0.00 54.97 55.13 2cqo s GLU 75 Cb -0.17 -0.41 0.03 0.00 0.10 0.00 0.00 34.13 33.68 2cqo s GLU 75 CO 0.06 -0.26 -0.08 1.41 0.02 0.00 0.00 175.26 176.41 2cqo s MET 76 N 1.70 2.69 0.06 1.61 -2.45 -1.26 -0.07 119.30 121.58 2cqo s MET 76 Ca -0.01 -1.07 0.08 0.00 -1.25 0.00 0.00 55.69 53.44 2cqo s MET 76 Cb -0.12 -2.94 -0.03 0.00 1.25 0.00 0.00 34.83 32.98 2cqo s MET 76 CO -0.03 -0.44 -0.20 0.15 1.05 0.00 0.00 175.02 175.55 2cqo s LYS 77 N 1.27 1.92 0.27 4.11 -0.14 0.17 -4.88 119.74 122.46 2cqo s LYS 77 Ca -0.02 -1.07 0.18 0.00 -1.36 0.00 0.00 55.97 53.70 2cqo s LYS 77 Cb -0.17 -2.11 0.96 0.00 -1.68 0.00 0.00 37.83 34.82 2cqo s LYS 77 CO -0.05 0.52 1.53 0.09 -0.76 0.00 0.00 175.35 176.68 2cqo n ASN 78 N 1.42 0.46 -0.07 2.83 3.02 -1.26 -0.95 115.26 120.71 2cqo n ASN 78 Ca -0.16 0.71 -0.09 0.00 -0.03 0.00 0.00 54.58 55.01 2cqo n ASN 78 Cb 0.52 -0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.12 0.28 -3.60 6.41 8.00 -1.26 -5.04 116.55 119.22 2cqo n ASP 79 Ca -0.01 0.13 -0.05 0.00 0.71 0.00 0.00 54.79 55.57 2cqo n ASP 79 Cb 0.04 0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.55 0.29 -0.19 -1.24 1.70 -0.13 -5.15 118.95 111.67 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 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 2cqo s ARG 80 CO 0.83 -0.12 -0.06 0.42 -1.08 0.00 0.00 175.30 175.30 2cqo s ILE 81 N -2.00 3.42 -0.18 4.99 1.01 -1.26 -0.65 121.20 126.53 2cqo s ILE 81 Ca 0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 2cqo s ILE 81 Cb -0.01 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2cqo s ILE 81 CO -0.05 0.46 -0.02 -0.75 0.00 0.00 0.00 174.94 174.58 2cqo s LYS 82 N 1.04 3.66 -0.07 2.79 2.20 0.90 -4.99 119.74 125.28 2cqo s LYS 82 Ca 0.00 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2cqo s LYS 82 Cb -0.15 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2cqo s LYS 82 CO -0.00 0.14 -0.07 0.08 -0.36 0.00 0.00 175.35 175.15 2cqo s VAL 83 N 0.64 0.77 -0.07 4.02 1.01 -1.26 -1.10 120.40 124.40 2cqo s VAL 83 Ca -0.01 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2cqo s VAL 83 Cb -0.14 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2cqo s VAL 83 CO 0.02 0.29 -0.24 -0.44 0.00 0.00 0.00 175.10 174.73 2cqo s SER 84 N 1.15 3.03 0.21 3.32 0.01 -0.68 -2.00 113.70 118.73 2cqo s SER 84 Ca -0.07 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 56.75 2cqo s SER 84 Cb -0.14 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.06 2cqo s SER 84 CO -0.01 0.22 -0.13 -0.76 0.41 0.00 0.00 173.24 172.96 2cqo s LEU 85 N -0.02 2.54 0.06 2.44 1.43 -0.37 -2.18 118.68 122.59 2cqo s LEU 85 Ca -0.08 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.03 2cqo s LEU 85 Cb -0.15 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 2cqo s LEU 85 CO 0.05 -0.19 -0.13 -0.94 0.23 0.00 0.00 176.35 175.37 2cqo s SER 86 N -3.32 1.50 0.00 2.29 1.04 -0.00 -3.95 113.70 111.26 2cqo s SER 86 Ca 0.23 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2cqo s SER 86 Cb -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2cqo s SER 86 CO 0.07 -0.09 0.00 0.23 0.98 0.00 0.00 173.24 174.43 2cqo n MET 87 N 1.40 3.38 0.22 4.02 2.81 -1.12 0.17 117.12 128.00 2cqo n MET 87 Ca -0.21 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 55.83 2cqo n MET 87 Cb 0.54 -0.67 0.55 0.00 -0.71 0.00 0.00 33.22 32.94 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 -0.24 0.03 2.10 0.06 -2.54 116.57 115.98 2cqo h LYS 88 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2cqo h LYS 88 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2cqo h LYS 88 CO 0.00 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.78 2cqo n VAL 89 N -2.79 0.35 -4.39 0.07 0.24 -1.26 -4.82 118.33 105.73 2cqo n VAL 89 Ca 0.02 -0.68 -0.23 0.00 -2.04 0.00 0.00 64.34 61.41 2cqo n VAL 89 Cb 0.32 1.10 -0.16 0.00 -1.47 0.00 0.00 33.84 33.63 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 -1.47 0.90 0.93 3.34 1.01 -0.96 0.00 120.40 124.15 2cqo s VAL 90 Ca 0.31 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 2cqo s VAL 90 Cb 0.19 -0.85 0.15 0.00 0.00 0.00 0.00 36.38 35.87 2cqo s VAL 90 CO 0.27 0.30 1.10 0.21 0.00 0.00 0.00 175.10 176.99 2cqo s ASN 91 N 0.80 2.99 -0.08 3.32 3.84 -0.85 -4.85 114.94 120.11 2cqo s ASN 91 Ca -0.12 1.84 0.07 0.00 0.21 0.00 0.00 52.86 54.85 2cqo s ASN 91 Cb -0.15 -2.42 -0.10 0.00 -0.55 0.00 0.00 41.25 38.03 2cqo s ASN 91 CO 0.02 -3.00 0.03 0.00 -2.79 0.00 0.00 177.10 171.36 2cqo n GLN 92 N -4.15 2.62 0.21 0.43 1.13 -1.26 -3.15 117.38 113.21 2cqo n GLN 92 Ca 0.09 -0.01 0.06 0.00 -1.94 0.00 0.00 57.00 55.20 2cqo n GLN 92 Cb 0.53 -1.21 0.47 0.00 0.11 0.00 0.00 30.24 30.15 2cqo n GLN 92 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2cqo h GLY 93 N 1.60 0.00 0.00 1.08 0.00 -1.99 -3.39 103.07 100.37 2cqo h GLY 93 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2cqo h GLY 93 CO 0.01 0.00 -0.26 -1.30 0.00 0.00 0.00 176.54 174.99 2cqo n THR 94 N -3.95 0.00 0.00 4.70 -2.24 -1.26 -5.05 114.28 106.48 2cqo n THR 94 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2cqo n THR 94 Cb 0.35 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 2.00 1.08 3.79 3.38 0.00 -1.19 -5.04 105.19 109.22 2cqo n GLY 95 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 4.46 0.33 1.61 2.20 -1.26 -4.64 119.74 122.26 2cqo s LYS 96 Ca 0.00 1.19 -0.29 0.00 -0.36 0.00 0.00 55.97 56.51 2cqo s LYS 96 Cb 0.00 -2.72 -0.12 0.00 -1.51 0.00 0.00 37.83 33.48 2cqo s LYS 96 CO 0.00 0.26 1.46 -3.47 -0.36 0.00 0.00 175.35 173.24 2cqo n ASP 97 N 0.41 3.41 -0.02 1.43 -0.08 -1.26 -2.01 116.55 118.42 2cqo n ASP 97 Ca 0.02 1.19 0.01 0.00 -1.51 0.00 0.00 54.79 54.49 2cqo n ASP 97 Cb 0.51 -1.55 -0.07 0.00 2.34 0.00 0.00 41.12 42.35 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 1.26 0.00 -3.57 -2.67 4.77 0.10 -4.83 117.00 112.06 2cqo n LEU 98 Ca 0.06 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.76 2cqo n LEU 98 Cb 0.36 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 2cqo n LEU 98 CO 0.63 0.09 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.93 2cqo s ASP 99 N -3.44 2.62 0.00 -1.43 2.15 -1.14 -4.94 116.67 110.49 2cqo s ASP 99 Ca -0.04 -3.25 0.15 0.00 0.43 0.00 0.00 52.55 49.85 2cqo s ASP 99 Cb 0.04 -0.83 0.85 0.00 -0.30 0.00 0.00 42.92 42.68 2cqo s ASP 99 CO 0.36 -0.15 1.38 -0.81 -0.17 0.00 0.00 175.17 175.77 2cqo n PRO 100 N 2.66 0.36 0.06 4.34 -0.04 -1.26 -2.49 135.00 138.62 2cqo n PRO 100 Ca 0.25 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2cqo n PRO 100 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 2cqo n PRO 100 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2cqo h ASN 101 N 0.00 0.03 -6.63 3.54 -0.00 -2.01 -3.47 115.58 107.03 2cqo h ASN 101 Ca 0.00 -0.03 -0.53 0.00 -0.00 0.00 0.00 56.30 55.74 2cqo h ASN 101 Cb 0.07 -0.01 -0.16 0.00 -0.00 0.00 0.00 38.32 38.22 2cqo h ASN 101 CO 0.00 1.02 -0.82 -0.46 -0.00 0.00 0.00 177.43 177.18 2cqo n ASN 102 N -3.35 -3.63 -0.06 1.15 0.23 -1.04 -4.83 115.26 103.74 2cqo n ASN 102 Ca -0.01 -0.95 -0.08 0.00 -0.53 0.00 0.00 54.58 53.01 2cqo n ASN 102 Cb 0.95 -3.05 -0.08 0.00 -2.08 0.00 0.00 39.78 35.52 2cqo n ASN 102 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2cqo n VAL 103 N -4.46 0.80 -0.30 3.53 0.31 -1.26 -4.59 118.33 112.36 2cqo n VAL 103 Ca 0.06 -0.40 0.05 0.00 -0.01 0.00 0.00 64.34 64.04 2cqo n VAL 103 Cb 0.50 -0.84 0.20 0.00 -0.91 0.00 0.00 33.84 32.79 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 0.82 -0.37 2.52 5.03 -1.96 0.12 117.51 123.67 2cqo h ILE 104 Ca -0.31 -0.25 0.11 0.00 -0.12 0.00 0.00 64.86 64.29 2cqo h ILE 104 Cb 1.60 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 35.42 2cqo h ILE 104 CO -0.01 0.13 0.45 0.16 -0.68 0.00 0.00 178.15 178.19 2cqo h ILE 105 N 0.72 0.32 -1.32 -0.67 -0.00 -1.98 -3.35 117.51 111.23 2cqo h ILE 105 Ca 0.43 0.00 -0.51 0.00 -0.00 0.00 0.00 64.86 64.79 2cqo h ILE 105 Cb 0.51 0.63 -0.08 0.00 -0.00 0.00 0.00 36.82 37.89 2cqo h ILE 105 CO -0.30 0.00 1.22 -0.70 -0.00 0.00 0.00 178.15 178.37 2cqo s GLU 106 N -4.55 3.19 -0.21 0.16 2.56 0.42 -4.75 118.70 115.52 2cqo s GLU 106 Ca -0.04 -0.61 -0.16 0.00 0.00 0.00 0.00 54.97 54.16 2cqo s GLU 106 Cb 0.14 -4.99 -0.10 0.00 2.00 0.00 0.00 34.13 31.19 2cqo s GLU 106 CO 0.51 -2.52 -0.20 0.43 -0.56 0.00 0.00 175.26 172.91 2cqo n SER 107 N 10.53 1.90 0.00 -1.70 7.64 -1.26 -5.07 113.62 125.67 2cqo n SER 107 Ca 0.28 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2cqo n SER 107 Cb 0.50 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2cqo n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqo n GLY 108 N 1.43 2.07 0.00 0.23 0.00 -1.26 -4.97 105.19 102.68 2cqo n GLY 108 Ca -0.28 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.32 2cqo n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cqo n PRO 109 N 0.00 0.49 -2.57 1.61 -0.04 -1.26 -4.63 135.00 128.60 2cqo n PRO 109 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2cqo n PRO 109 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 2cqo n PRO 109 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqo s SER 110 N -1.87 6.18 -0.01 3.54 0.15 -1.26 -4.98 113.70 115.46 2cqo s SER 110 Ca 0.17 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.38 2cqo s SER 110 Cb 0.08 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2cqo s SER 110 CO 0.13 -1.80 -0.04 -0.55 1.20 0.00 0.00 173.24 172.18 2cqo s SER 111 N 3.69 0.56 0.00 5.45 0.15 -1.26 -5.25 113.70 117.04 2cqo s SER 111 Ca 0.35 -0.08 0.17 0.00 0.70 0.00 0.00 55.95 57.09 2cqo s SER 111 Cb -0.08 -0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.26 2cqo s SER 111 CO 0.15 0.04 1.05 0.61 1.20 0.00 0.00 173.24 176.29