#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 1.17 -4.40 1.61 3.41 -1.26 -4.89 113.62 109.27 2cqo n SER -5 Ca 0.00 1.15 -0.44 0.00 -0.26 0.00 0.00 58.87 59.32 2cqo n SER -5 Cb 0.00 -0.99 -0.07 0.00 -0.26 0.00 0.00 64.21 62.89 2cqo n SER -5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cqo s SER -4 N 1.92 6.17 -0.42 4.04 0.15 -1.26 -5.02 113.70 119.29 2cqo s SER -4 Ca 0.97 -1.24 -0.44 0.00 0.70 0.00 0.00 55.95 55.94 2cqo s SER -4 Cb -1.27 -2.21 -0.18 0.00 -1.71 0.00 0.00 66.02 60.65 2cqo s SER -4 CO 0.67 -0.72 1.73 0.61 1.20 0.00 0.00 173.24 176.73 2cqo n GLY -3 N 5.20 0.40 3.95 9.45 0.00 -1.26 -4.94 105.19 117.99 2cqo n GLY -3 Ca -0.11 0.99 -0.21 0.00 0.00 0.00 0.00 46.02 46.69 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 3.68 5.11 0.30 1.61 0.01 -1.26 -5.14 113.70 118.01 2cqo s SER -2 Ca 1.04 -0.80 0.10 0.00 1.31 0.00 0.00 55.95 57.61 2cqo s SER -2 Cb -1.33 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 2cqo s SER -2 CO 0.73 -0.94 -0.06 -0.94 0.41 0.00 0.00 173.24 172.44 2cqo s SER -1 N -4.34 4.11 0.00 2.44 1.04 -1.26 -5.03 113.70 110.65 2cqo s SER -1 Ca 0.50 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2cqo s SER -1 Cb -0.05 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2cqo s SER -1 CO 0.31 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.07 2cqo n GLY 0 N -0.83 -0.42 3.37 7.32 0.00 -1.26 -5.18 105.19 108.20 2cqo n GLY 0 Ca -0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 1.41 0.01 1.61 1.00 -1.26 -5.16 119.30 116.90 2cqo s MET 1 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 55.69 53.97 2cqo s MET 1 Cb 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 34.83 33.73 2cqo s MET 1 CO 0.00 0.11 0.10 -0.80 0.00 0.00 0.00 175.02 174.44 2cqo s ASN 2 N -3.36 0.07 -0.07 3.03 -0.87 -1.26 -5.17 114.94 107.31 2cqo s ASN 2 Ca 0.25 -0.27 -0.09 0.00 -1.57 0.00 0.00 52.86 51.19 2cqo s ASN 2 Cb 0.01 0.18 0.02 0.00 -0.02 0.00 0.00 41.25 41.45 2cqo s ASN 2 CO 0.09 -0.36 0.23 -0.44 -2.57 0.00 0.00 177.10 174.06 2cqo s SER 3 N -1.40 -0.21 0.00 -1.22 0.01 -1.26 -5.15 113.70 104.48 2cqo s SER 3 Ca -0.15 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2cqo s SER 3 Cb -0.08 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2cqo s SER 3 CO 0.01 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2cqo n GLY 4 N 2.57 1.88 3.80 3.44 0.00 -1.26 -5.15 105.19 110.47 2cqo n GLY 4 Ca -0.15 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.28 4.17 -0.16 1.61 0.52 -1.26 -5.03 118.95 118.53 2cqo s ARG 5 Ca 0.00 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 2cqo s ARG 5 Cb 0.00 -3.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2cqo s ARG 5 CO 0.00 0.58 1.57 -1.25 0.02 0.00 0.00 175.30 176.22 2cqo s PRO 6 N -0.86 3.99 -0.13 3.54 0.04 -1.26 -4.99 135.00 135.34 2cqo s PRO 6 Ca 0.28 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 2cqo s PRO 6 Cb -0.19 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 2cqo s PRO 6 CO 0.17 -1.05 0.56 -1.83 0.04 0.00 0.00 177.00 174.89 2cqo s GLU 7 N 4.27 4.32 -0.13 4.56 1.03 -1.26 -4.94 118.70 126.55 2cqo s GLU 7 Ca 0.69 0.57 -0.00 0.00 0.03 0.00 0.00 54.97 56.25 2cqo s GLU 7 Cb -0.27 -3.48 -0.08 0.00 -0.80 0.00 0.00 34.13 29.51 2cqo s GLU 7 CO 0.27 0.04 -0.12 0.25 -1.33 0.00 0.00 175.26 174.36 2cqo n THR 8 N 3.96 0.72 -0.38 1.83 -2.24 -1.26 -4.46 114.28 112.46 2cqo n THR 8 Ca -0.05 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.40 2cqo n THR 8 Cb 0.51 -1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 2cqo n THR 8 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2cqo n MET 9 N -3.00 -0.35 -3.62 -0.78 0.00 -1.26 -3.69 117.12 104.43 2cqo n MET 9 Ca -0.23 1.42 -0.29 0.00 -0.00 0.00 0.00 57.70 58.59 2cqo n MET 9 Cb 0.73 -2.09 -0.13 0.00 0.00 0.00 0.00 33.22 31.73 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 -5.61 0.86 -0.06 2.12 2.02 -1.26 -4.87 118.70 111.90 2cqo s GLU 10 Ca -0.12 -1.52 0.09 0.00 0.02 0.00 0.00 54.97 53.44 2cqo s GLU 10 Cb 0.13 -1.84 0.35 0.00 0.10 0.00 0.00 34.13 32.87 2cqo s GLU 10 CO 0.61 -1.14 1.17 -1.71 0.02 0.00 0.00 175.26 174.20 2cqo n ASN 11 N 4.04 2.57 -4.50 -0.19 2.85 -1.24 -4.96 115.26 113.83 2cqo n ASN 11 Ca 0.07 -2.23 -0.36 0.00 -0.11 0.00 0.00 54.58 51.95 2cqo n ASN 11 Cb 0.37 -0.42 0.07 0.00 1.24 0.00 0.00 39.78 41.05 2cqo n ASN 11 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2cqo n LEU 12 N 0.40 1.41 0.00 1.20 4.77 -1.26 -4.79 117.00 118.73 2cqo n LEU 12 Ca 0.12 0.60 -0.17 0.00 -0.03 0.00 0.00 56.01 56.54 2cqo n LEU 12 Cb 0.50 -1.26 0.14 0.00 -2.33 0.00 0.00 43.42 40.47 2cqo n LEU 12 CO 0.12 -2.88 0.34 -0.81 -1.33 0.00 0.00 177.39 172.82 2cqo n PRO 13 N -1.02 -2.21 -2.52 3.23 -0.04 -1.26 -5.07 135.00 126.12 2cqo n PRO 13 Ca 0.11 -0.97 -0.24 0.00 -0.04 0.00 0.00 63.50 62.36 2cqo n PRO 13 Cb 0.50 -0.91 0.09 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.00 3.61 0.48 0.55 0.00 -1.26 -5.02 121.76 117.12 2cqo s ALA 14 Ca 0.39 -1.51 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 2cqo s ALA 14 Cb -0.04 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.88 2cqo s ALA 14 CO 0.30 -1.32 1.25 -1.17 0.00 0.00 0.00 175.76 174.83 2cqo s LEU 15 N -5.10 4.00 -1.91 0.00 2.96 -1.26 -2.56 118.68 114.81 2cqo s LEU 15 Ca 0.64 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 57.07 2cqo s LEU 15 Cb -0.07 -4.19 0.00 0.00 0.50 0.00 0.00 46.19 42.43 2cqo s LEU 15 CO 0.43 -1.11 0.00 -1.22 -1.32 0.00 0.00 176.35 173.13 2cqo n TYR 16 N -0.54 -0.58 -3.32 5.38 4.01 -0.98 -4.96 117.16 116.17 2cqo n TYR 16 Ca 0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.43 2cqo n TYR 16 Cb 0.46 -3.71 -0.06 0.00 -0.31 0.00 0.00 39.34 35.73 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 -2.91 4.84 -0.17 -0.72 2.01 -1.06 -4.79 115.64 112.84 2cqo s THR 17 Ca 0.00 1.12 -0.06 0.00 0.31 0.00 0.00 61.69 63.06 2cqo s THR 17 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2cqo s THR 17 CO 0.00 0.54 0.02 -0.63 -0.69 0.00 0.00 174.62 173.87 2cqo s ILE 18 N -0.96 4.46 0.15 1.82 1.01 -1.26 -1.78 121.20 124.64 2cqo s ILE 18 Ca 0.28 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 2cqo s ILE 18 Cb -0.19 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.31 2cqo s ILE 18 CO 0.17 0.48 0.36 0.72 0.00 0.00 0.00 174.94 176.68 2cqo s PHE 19 N 0.29 0.05 -0.21 3.97 -0.12 -0.83 -5.02 117.98 116.11 2cqo s PHE 19 Ca 0.01 -0.41 -0.10 0.00 -0.05 0.00 0.00 56.93 56.38 2cqo s PHE 19 Cb -0.13 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 2cqo s PHE 19 CO 0.01 -0.74 0.14 -1.14 -0.05 0.00 0.00 175.22 173.44 2cqo s GLN 20 N -3.88 4.15 0.06 1.99 0.74 -1.26 -1.39 119.66 120.08 2cqo s GLN 20 Ca 0.09 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.27 2cqo s GLN 20 Cb 0.02 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 2cqo s GLN 20 CO -0.06 0.23 -0.05 0.20 -0.55 0.00 0.00 175.29 175.06 2cqo s GLY 21 N 0.56 0.57 -0.02 2.59 0.00 0.15 -4.28 107.32 106.89 2cqo s GLY 21 Ca 0.08 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 2cqo s GLY 21 CO -0.00 -1.21 0.17 1.85 0.00 0.00 0.00 173.10 173.91 2cqo s GLU 22 N -3.20 3.42 -0.02 2.90 2.12 -1.21 -1.04 118.70 121.66 2cqo s GLU 22 Ca 0.03 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 2cqo s GLU 22 Cb 0.02 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 2cqo s GLU 22 CO -0.05 0.68 1.32 0.08 -0.54 0.00 0.00 175.26 176.75 2cqo s VAL 23 N -1.29 3.93 -0.06 3.70 1.01 -0.86 -1.24 120.40 125.58 2cqo s VAL 23 Ca 0.26 1.29 0.11 0.00 0.00 0.00 0.00 61.98 63.64 2cqo s VAL 23 Cb -0.13 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.26 2cqo s VAL 23 CO 0.17 -0.00 0.16 0.00 0.00 0.00 0.00 175.10 175.43 2cqo n ALA 24 N 5.28 2.10 -3.28 5.51 0.00 -0.48 -2.39 120.51 127.25 2cqo n ALA 24 Ca 0.12 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2cqo n ALA 24 Cb 0.45 -0.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.57 0.33 -0.14 0.00 1.75 -1.24 -4.93 119.30 112.49 2cqo s MET 25 Ca -0.05 0.44 0.02 0.00 -1.25 0.00 0.00 55.69 54.85 2cqo s MET 25 Cb 0.06 0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.86 2cqo s MET 25 CO 0.49 -0.06 -0.20 0.08 -0.65 0.00 0.00 175.02 174.68 2cqo s VAL 26 N 0.37 1.95 0.21 10.11 1.01 -1.26 -0.33 120.40 132.45 2cqo s VAL 26 Ca -0.02 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.14 2cqo s VAL 26 Cb -0.03 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2cqo s VAL 26 CO -0.01 0.53 -0.14 0.42 0.00 0.00 0.00 175.10 175.89 2cqo s THR 27 N 0.96 1.77 -2.00 3.92 -4.23 0.16 -5.00 115.64 111.21 2cqo s THR 27 Ca -0.04 -2.22 0.17 0.00 -1.18 0.00 0.00 61.69 58.42 2cqo s THR 27 Cb -0.15 -2.09 0.48 0.00 1.34 0.00 0.00 72.50 72.08 2cqo s THR 27 CO -0.04 -0.56 1.43 0.47 -0.54 0.00 0.00 174.62 175.37 2cqo n ASP 28 N -0.41 0.00 0.00 3.99 9.92 -1.26 -2.04 116.55 126.76 2cqo n ASP 28 Ca -0.08 -0.73 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 2cqo n ASP 28 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cqo n TYR 29 N -0.92 0.00 -2.52 1.24 0.18 -1.26 -4.79 117.16 109.10 2cqo n TYR 29 Ca 0.13 -0.21 0.00 0.00 1.88 0.00 0.00 57.90 59.70 2cqo n TYR 29 Cb 0.06 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 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 -0.21 -0.60 3.13 -7.48 0.00 -0.86 -0.91 105.19 98.25 2cqo n GLY 30 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.02 -0.47 -0.07 4.61 0.00 -0.54 0.36 121.76 124.63 2cqo s ALA 31 Ca 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 2cqo s ALA 31 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2cqo s ALA 31 CO 0.00 -0.18 0.42 -0.06 0.00 0.00 0.00 175.76 175.93 2cqo s PHE 32 N -0.92 3.60 -0.11 0.00 0.40 0.55 0.03 117.98 121.52 2cqo s PHE 32 Ca -0.10 0.89 0.03 0.00 -0.60 0.00 0.00 56.93 57.15 2cqo s PHE 32 Cb -0.05 -2.41 0.00 0.00 0.51 0.00 0.00 43.02 41.07 2cqo s PHE 32 CO 0.02 0.38 -0.23 0.42 0.70 0.00 0.00 175.22 176.51 2cqo s ILE 33 N -0.12 2.01 -0.16 0.64 -1.09 -0.23 -1.38 121.20 120.87 2cqo s ILE 33 Ca 0.23 -0.98 -0.27 0.00 -2.23 0.00 0.00 60.65 57.41 2cqo s ILE 33 Cb -0.15 -1.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.96 2cqo s ILE 33 CO 0.11 0.55 0.90 -0.54 -1.23 0.00 0.00 174.94 174.72 2cqo s LYS 34 N 0.50 4.32 -0.02 2.79 1.02 -0.38 -2.34 119.74 125.64 2cqo s LYS 34 Ca -0.15 1.15 -0.27 0.00 0.02 0.00 0.00 55.97 56.72 2cqo s LYS 34 Cb -0.17 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2cqo s LYS 34 CO 0.05 -0.36 0.85 0.42 -0.92 0.00 0.00 175.35 175.39 2cqo s ILE 35 N 2.25 4.91 0.31 2.17 1.01 -1.26 -3.34 121.20 127.25 2cqo s ILE 35 Ca 0.41 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.56 2cqo s ILE 35 Cb -0.17 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 2cqo s ILE 35 CO 0.13 0.22 1.23 -2.16 0.00 0.00 0.00 174.94 174.36 2cqo s PRO 36 N 0.78 4.47 0.00 2.79 0.04 -1.26 -2.83 135.00 138.98 2cqo s PRO 36 Ca 0.45 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2cqo s PRO 36 Cb -0.20 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2cqo s PRO 36 CO 0.24 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2cqo n GLY 37 N 0.96 3.00 3.69 0.56 0.00 -1.26 -4.96 105.19 107.18 2cqo n GLY 37 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.11 0.85 -2.09 0.00 1.74 -1.26 -4.68 116.66 110.10 2cqo n ARG 39 Ca -0.03 0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.73 2cqo n ARG 39 Cb 0.64 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.66 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 -2.41 3.99 0.33 5.56 -0.14 -1.26 -4.89 119.74 120.92 2cqo s LYS 40 Ca -0.20 2.11 0.09 0.00 -1.36 0.00 0.00 55.97 56.60 2cqo s LYS 40 Cb 0.06 -2.75 -0.05 0.00 -1.68 0.00 0.00 37.83 33.42 2cqo s LYS 40 CO 0.56 -0.46 0.08 -0.65 -0.76 0.00 0.00 175.35 174.12 2cqo s GLN 41 N -2.24 2.27 0.12 1.68 -0.21 -1.26 -4.05 119.66 115.97 2cqo s GLN 41 Ca 0.57 -1.59 0.09 0.00 0.02 0.00 0.00 55.36 54.45 2cqo s GLN 41 Cb -0.37 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 2cqo s GLN 41 CO 0.47 0.16 -0.21 0.20 -2.12 0.00 0.00 175.29 173.79 2cqo s GLY 42 N -3.78 1.32 -0.15 3.09 0.00 -0.99 -4.73 107.32 102.08 2cqo s GLY 42 Ca 0.36 -1.33 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 2cqo s GLY 42 CO 0.21 -1.34 0.07 -2.27 0.00 0.00 0.00 173.10 169.78 2cqo s LEU 43 N -2.09 3.94 -0.36 0.66 2.96 -0.82 -1.07 118.68 121.90 2cqo s LEU 43 Ca 0.09 0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 54.10 2cqo s LEU 43 Cb -0.09 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.65 2cqo s LEU 43 CO 0.05 0.28 0.20 -0.69 -1.32 0.00 0.00 176.35 174.87 2cqo s VAL 44 N -0.25 4.63 0.55 1.68 1.01 0.10 -1.28 120.40 126.85 2cqo s VAL 44 Ca 0.09 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 2cqo s VAL 44 Cb -0.12 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 2cqo s VAL 44 CO 0.01 -0.17 1.02 1.57 0.00 0.00 0.00 175.10 177.54 2cqo n HIS 45 N 5.00 1.09 0.03 5.22 -0.00 -1.25 -1.46 115.22 123.85 2cqo n HIS 45 Ca -0.12 0.46 0.06 0.00 0.46 0.00 0.00 57.72 58.58 2cqo n HIS 45 Cb 0.47 -2.19 0.48 0.00 -0.12 0.00 0.00 29.99 28.63 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 0.86 0.42 -0.14 1.57 0.11 -1.38 -0.10 114.38 115.72 2cqo h ARG 46 Ca -0.48 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.48 2cqo h ARG 46 Cb 1.35 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2cqo h ARG 46 CO 0.53 0.28 -0.36 0.00 0.10 0.00 0.00 179.97 180.52 2cqo h THR 47 N 0.43 1.29 0.00 0.08 1.03 -1.89 -2.75 112.91 111.10 2cqo h THR 47 Ca 0.15 -1.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.14 2cqo h THR 47 Cb 0.06 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 2cqo h THR 47 CO -0.03 0.43 -0.51 0.45 -0.01 0.00 0.00 175.52 175.84 2cqo h HIS 48 N 0.24 0.00 -0.53 0.00 3.86 -1.58 -3.31 115.15 113.83 2cqo h HIS 48 Ca 0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2cqo h HIS 48 Cb 0.75 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 2cqo h HIS 48 CO 0.01 0.00 0.23 0.52 0.86 0.00 0.00 177.93 179.55 2cqo h MET 49 N 0.00 0.76 -5.49 2.45 2.07 -0.75 -0.36 114.93 113.61 2cqo h MET 49 Ca 0.00 -0.10 -0.48 0.00 -2.07 0.00 0.00 59.70 57.04 2cqo h MET 49 Cb 1.00 -0.14 -0.14 0.00 -1.87 0.00 0.00 31.60 30.44 2cqo h MET 49 CO 0.00 0.61 -0.68 0.45 1.07 0.00 0.00 176.91 178.36 2cqo s SER 50 N -6.57 2.69 0.01 1.22 0.15 -1.23 -4.49 113.70 105.49 2cqo s SER 50 Ca -0.09 -1.17 -0.03 0.00 0.70 0.00 0.00 55.95 55.35 2cqo s SER 50 Cb 0.16 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2cqo s SER 50 CO 0.78 -0.33 1.05 0.28 1.20 0.00 0.00 173.24 176.22 2cqo h SER 51 N 2.32 -0.16 0.00 5.45 0.02 -1.86 -3.45 113.55 115.88 2cqo h SER 51 Ca -0.40 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2cqo h SER 51 Cb 1.23 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2cqo h SER 51 CO 0.66 -0.05 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 2cqo s ARG 53 N -1.38 4.26 -0.65 0.00 1.70 -1.26 -4.97 118.95 116.64 2cqo s ARG 53 Ca 0.00 2.15 0.05 0.00 -0.47 0.00 0.00 55.73 57.46 2cqo s ARG 53 Cb 0.00 -3.41 0.16 0.00 -0.57 0.00 0.00 34.95 31.13 2cqo s ARG 53 CO 0.00 -0.58 0.44 0.08 -1.08 0.00 0.00 175.30 174.17 2cqo s VAL 54 N 1.86 2.70 -0.03 4.99 1.01 -1.26 -4.82 120.40 124.85 2cqo s VAL 54 Ca 0.68 -4.01 -0.23 0.00 0.00 0.00 0.00 61.98 58.42 2cqo s VAL 54 Cb -0.37 -2.80 -0.16 0.00 0.00 0.00 0.00 36.38 33.05 2cqo s VAL 54 CO 0.30 -0.98 1.00 -0.78 0.00 0.00 0.00 175.10 174.65 2cqo h ASP 55 N 5.63 -0.23 -2.04 3.32 1.82 -1.97 -3.44 116.42 119.51 2cqo h ASP 55 Ca 0.11 -0.30 -0.24 0.00 -0.39 0.00 0.00 57.03 56.20 2cqo h ASP 55 Cb 0.79 0.06 -0.32 0.00 0.68 0.00 0.00 39.33 40.54 2cqo h ASP 55 CO 0.69 0.27 -0.56 -0.54 -1.61 0.00 0.00 179.24 177.48 2cqo s LYS 56 N -3.85 0.33 0.45 0.28 1.02 -1.26 -5.01 119.74 111.70 2cqo s LYS 56 Ca -0.13 0.19 0.30 0.00 0.02 0.00 0.00 55.97 56.35 2cqo s LYS 56 Cb 0.01 -0.63 1.27 0.00 -0.52 0.00 0.00 37.83 37.96 2cqo s LYS 56 CO 0.51 -0.84 1.90 -1.00 -0.92 0.00 0.00 175.35 174.99 2cqo h PRO 57 N 8.23 0.00 -0.00 -1.68 0.13 -1.86 -2.38 132.00 134.43 2cqo h PRO 57 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2cqo h PRO 57 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2cqo h PRO 57 CO 0.29 0.00 -0.12 0.45 -0.23 0.00 0.00 178.00 178.39 2cqo n SER 58 N -2.78 0.13 -0.00 1.44 2.88 -1.26 -3.25 113.62 110.78 2cqo n SER 58 Ca 0.01 0.29 0.11 0.00 -1.33 0.00 0.00 58.87 57.95 2cqo n SER 58 Cb 0.27 -0.31 -0.13 0.00 -0.75 0.00 0.00 64.21 63.29 2cqo n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2cqo n GLU 59 N -1.49 0.31 0.07 -1.46 -0.58 -0.90 -4.26 120.64 112.34 2cqo n GLU 59 Ca 0.07 -0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.65 2cqo n GLU 59 Cb 0.34 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.65 -4.48 -3.67 2.04 -1.55 -3.47 117.51 108.02 2cqo h ILE 60 Ca 0.00 -3.19 -0.32 0.00 1.00 0.00 0.00 64.86 62.35 2cqo h ILE 60 Cb 0.74 2.76 -0.12 0.00 -0.74 0.00 0.00 36.82 39.46 2cqo h ILE 60 CO 0.00 0.92 -0.40 0.68 0.00 0.00 0.00 178.15 179.35 2cqo s VAL 61 N -2.83 0.00 -0.25 1.67 -7.23 -1.25 -5.15 120.40 105.36 2cqo s VAL 61 Ca -0.00 -1.83 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 2cqo s VAL 61 Cb 0.10 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.60 2cqo s VAL 61 CO 0.82 0.00 0.78 -1.81 -0.31 0.00 0.00 175.10 174.58 2cqo s ASP 62 N -3.25 -0.68 -0.43 4.85 1.11 -1.26 -4.76 116.67 112.26 2cqo s ASP 62 Ca 0.36 1.24 -0.45 0.00 0.18 0.00 0.00 52.55 53.88 2cqo s ASP 62 Cb 0.02 1.24 -0.19 0.00 1.07 0.00 0.00 42.92 45.06 2cqo s ASP 62 CO 0.20 -0.27 1.61 0.52 1.18 0.00 0.00 175.17 178.41 2cqo n VAL 63 N 2.37 0.07 0.00 -1.27 0.31 -1.26 -0.76 118.33 117.78 2cqo n VAL 63 Ca -0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2cqo n VAL 63 Cb 0.55 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 3.94 2.02 3.70 2.92 0.00 -1.01 -5.01 105.19 111.76 2cqo n GLY 64 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.23 7.19 -0.11 1.61 1.01 0.06 -4.82 116.67 120.37 2cqo s ASP 65 Ca 0.00 1.45 -0.15 0.00 0.71 0.00 0.00 52.55 54.56 2cqo s ASP 65 Cb 0.00 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 2cqo s ASP 65 CO 0.00 -0.28 0.36 -0.75 0.21 0.00 0.00 175.17 174.72 2cqo s LYS 66 N 1.30 4.15 0.21 8.23 2.20 -1.26 -2.03 119.74 132.53 2cqo s LYS 66 Ca 0.46 0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 56.31 2cqo s LYS 66 Cb -0.19 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2cqo s LYS 66 CO 0.21 0.36 0.17 0.14 -0.36 0.00 0.00 175.35 175.87 2cqo s VAL 67 N 0.04 0.00 -0.17 4.02 -7.23 -0.21 -4.98 120.40 111.87 2cqo s VAL 67 Ca 0.21 -1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2cqo s VAL 67 Cb -0.14 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2cqo s VAL 67 CO 0.08 0.00 0.11 0.26 -0.31 0.00 0.00 175.10 175.24 2cqo s TRP 68 N -4.14 3.41 0.14 2.82 0.52 -1.26 -0.68 118.94 119.75 2cqo s TRP 68 Ca 0.37 0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.86 2cqo s TRP 68 Cb 0.06 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 2cqo s TRP 68 CO 0.12 0.39 -0.10 0.14 0.02 0.00 0.00 176.95 177.52 2cqo s VAL 69 N -0.09 1.13 -0.04 4.03 -7.23 -0.48 -4.64 120.40 113.08 2cqo s VAL 69 Ca 0.09 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2cqo s VAL 69 Cb -0.12 -1.77 -0.00 0.00 0.56 0.00 0.00 36.38 35.05 2cqo s VAL 69 CO 0.00 -0.72 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.18 2cqo s LYS 70 N -3.60 1.62 0.19 4.82 2.20 0.40 -1.96 119.74 123.41 2cqo s LYS 70 Ca 0.15 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 2cqo s LYS 70 Cb 0.02 -1.41 -0.09 0.00 -1.51 0.00 0.00 37.83 34.84 2cqo s LYS 70 CO 0.00 0.19 1.34 -1.17 -0.36 0.00 0.00 175.35 175.36 2cqo s LEU 71 N 0.14 4.40 -0.01 5.43 2.96 -0.73 -0.84 118.68 130.03 2cqo s LEU 71 Ca -0.05 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.31 2cqo s LEU 71 Cb -0.11 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2cqo s LEU 71 CO 0.02 -0.58 0.02 2.30 -1.32 0.00 0.00 176.35 176.80 2cqo n ILE 72 N 2.81 0.05 -3.45 6.68 -5.35 -0.93 -2.32 119.36 116.85 2cqo n ILE 72 Ca 0.07 -0.05 0.01 0.00 -0.27 0.00 0.00 62.75 62.51 2cqo n ILE 72 Cb 0.42 -0.20 -0.03 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 -2.67 -0.75 -0.14 3.28 0.00 -1.23 -4.90 107.32 100.92 2cqo s GLY 73 Ca -0.01 2.28 0.03 0.00 0.00 0.00 0.00 44.72 47.02 2cqo s GLY 73 CO 0.07 3.21 -0.22 1.09 0.00 0.00 0.00 173.10 177.25 2cqo s ARG 74 N 2.85 3.04 -0.06 2.90 1.70 -1.26 -1.74 118.95 126.37 2cqo s ARG 74 Ca 0.03 -0.85 -0.02 0.00 -0.47 0.00 0.00 55.73 54.41 2cqo s ARG 74 Cb -0.12 -2.43 0.04 0.00 -0.57 0.00 0.00 34.95 31.86 2cqo s ARG 74 CO -0.19 0.01 0.12 -1.21 -1.08 0.00 0.00 175.30 172.94 2cqo s GLU 75 N 0.76 0.01 -0.25 3.89 0.41 -0.82 -5.07 118.70 117.65 2cqo s GLU 75 Ca -0.08 0.43 -0.00 0.00 -0.41 0.00 0.00 54.97 54.90 2cqo s GLU 75 Cb -0.16 -0.29 0.04 0.00 -1.78 0.00 0.00 34.13 31.93 2cqo s GLU 75 CO -0.01 -0.26 -0.09 -1.64 -0.49 0.00 0.00 175.26 172.78 2cqo s MET 76 N 1.82 2.68 0.06 1.61 -1.94 -1.26 -0.99 119.30 121.27 2cqo s MET 76 Ca -0.01 -1.07 0.08 0.00 -1.71 0.00 0.00 55.69 52.97 2cqo s MET 76 Cb -0.12 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.76 2cqo s MET 76 CO -0.05 -0.44 -0.19 0.21 -0.01 0.00 0.00 175.02 174.54 2cqo s LYS 77 N 1.26 1.95 0.26 2.03 2.47 -0.25 -4.99 119.74 122.46 2cqo s LYS 77 Ca -0.02 -1.06 0.17 0.00 -1.56 0.00 0.00 55.97 53.51 2cqo s LYS 77 Cb -0.17 -2.14 0.94 0.00 -1.46 0.00 0.00 37.83 35.00 2cqo s LYS 77 CO -0.05 0.52 1.52 0.09 0.16 0.00 0.00 175.35 177.58 2cqo n ASN 78 N 1.36 0.45 -0.05 1.43 4.13 -1.26 -0.97 115.26 120.34 2cqo n ASN 78 Ca -0.16 0.70 -0.11 0.00 1.68 0.00 0.00 54.58 56.69 2cqo n ASN 78 Cb 0.52 -0.75 -0.15 0.00 -1.54 0.00 0.00 39.78 37.86 2cqo n ASN 78 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2cqo n ASP 79 N -2.11 0.81 -3.61 6.41 2.03 -1.26 -5.03 116.55 113.79 2cqo n ASP 79 Ca -0.01 0.21 -0.04 0.00 0.52 0.00 0.00 54.79 55.46 2cqo n ASP 79 Cb 0.05 0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.60 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqo s ARG 80 N -2.55 0.27 -0.12 -0.67 1.70 -0.14 -5.16 118.95 112.27 2cqo s ARG 80 Ca -0.11 -0.06 -0.01 0.00 -0.47 0.00 0.00 55.73 55.09 2cqo s ARG 80 Cb 0.07 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 2cqo s ARG 80 CO 0.80 -0.11 -0.10 0.42 -1.08 0.00 0.00 175.30 175.24 2cqo s ILE 81 N -1.99 3.37 -0.11 4.99 1.01 -1.26 -1.09 121.20 126.11 2cqo s ILE 81 Ca 0.08 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2cqo s ILE 81 Cb -0.01 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2cqo s ILE 81 CO -0.05 0.53 -0.23 -0.75 0.00 0.00 0.00 174.94 174.45 2cqo s LYS 82 N 0.11 2.94 -0.07 2.79 2.20 -0.16 -5.00 119.74 122.55 2cqo s LYS 82 Ca -0.04 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 2cqo s LYS 82 Cb -0.14 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.93 2cqo s LYS 82 CO 0.04 0.13 -0.09 0.08 -0.36 0.00 0.00 175.35 175.15 2cqo s VAL 83 N 0.47 0.90 -0.13 4.02 1.01 -1.26 -1.94 120.40 123.47 2cqo s VAL 83 Ca -0.16 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2cqo s VAL 83 Cb -0.17 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2cqo s VAL 83 CO 0.06 0.31 -0.18 -0.44 0.00 0.00 0.00 175.10 174.86 2cqo s SER 84 N 0.97 3.55 0.23 3.32 0.01 -0.71 -1.94 113.70 119.14 2cqo s SER 84 Ca -0.09 -0.46 0.10 0.00 1.31 0.00 0.00 55.95 56.81 2cqo s SER 84 Cb -0.15 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 2cqo s SER 84 CO 0.00 0.14 -0.18 -0.76 0.41 0.00 0.00 173.24 172.84 2cqo s LEU 85 N 0.50 2.54 0.05 2.44 1.43 -0.41 -2.19 118.68 123.05 2cqo s LEU 85 Ca -0.12 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.04 2cqo s LEU 85 Cb -0.16 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 2cqo s LEU 85 CO 0.05 -0.03 -0.13 -0.94 0.23 0.00 0.00 176.35 175.53 2cqo s SER 86 N -3.23 1.55 0.00 2.29 1.04 -0.02 -3.94 113.70 111.38 2cqo s SER 86 Ca 0.24 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2cqo s SER 86 Cb -0.04 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2cqo s SER 86 CO 0.11 -0.05 0.00 0.23 0.98 0.00 0.00 173.24 174.51 2cqo n MET 87 N 1.56 3.10 0.26 4.02 2.81 -1.17 -0.45 117.12 127.26 2cqo n MET 87 Ca -0.20 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.80 2cqo n MET 87 Cb 0.54 -0.98 0.71 0.00 -0.71 0.00 0.00 33.22 32.79 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 -0.64 0.03 2.10 -1.28 -0.90 116.57 115.88 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 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2cqo h LYS 88 CO 0.00 0.11 0.00 1.33 -2.00 0.00 0.00 179.45 178.89 2cqo n VAL 89 N -3.83 1.04 -4.22 0.07 0.24 -1.26 -4.85 118.33 105.52 2cqo n VAL 89 Ca -0.02 -0.89 -0.17 0.00 -2.04 0.00 0.00 64.34 61.22 2cqo n VAL 89 Cb 0.21 0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 32.77 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 -1.32 0.58 -0.04 3.34 1.01 -0.34 -1.77 120.40 121.87 2cqo s VAL 90 Ca 0.43 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 2cqo s VAL 90 Cb 0.24 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2cqo s VAL 90 CO 0.27 0.04 0.81 0.21 0.00 0.00 0.00 175.10 176.43 2cqo s ASN 91 N -0.50 7.14 -0.48 3.32 3.84 -1.07 -4.87 114.94 122.33 2cqo s ASN 91 Ca 0.00 1.38 -0.04 0.00 0.21 0.00 0.00 52.86 54.41 2cqo s ASN 91 Cb -0.04 -2.47 0.01 0.00 -0.55 0.00 0.00 41.25 38.20 2cqo s ASN 91 CO -0.00 -0.16 2.88 0.00 -2.79 0.00 0.00 177.10 177.02 2cqo n GLN 92 N 3.77 2.56 0.00 0.43 3.00 -1.26 -2.40 117.38 123.48 2cqo n GLN 92 Ca 0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 57.00 54.77 2cqo n GLN 92 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.58 2cqo n GLN 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2cqo n GLY 93 N 1.25 0.28 0.00 1.08 0.00 -1.26 -4.91 105.19 101.62 2cqo n GLY 93 Ca 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -1.95 2.61 -2.24 -1.25 -5.03 114.28 105.07 2cqo n THR 94 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2cqo n THR 94 Cb 0.00 0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 2.57 0.35 3.85 3.38 0.00 -1.01 -5.04 105.19 109.29 2cqo n GLY 95 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.91 3.88 -0.39 1.61 2.47 -1.26 -4.82 119.74 117.32 2cqo s LYS 96 Ca 0.00 0.35 -0.28 0.00 -1.56 0.00 0.00 55.97 54.47 2cqo s LYS 96 Cb 0.00 -2.99 -0.01 0.00 -1.46 0.00 0.00 37.83 33.38 2cqo s LYS 96 CO 0.00 0.53 1.63 0.34 0.16 0.00 0.00 175.35 178.01 2cqo s ASP 97 N -1.68 6.05 0.10 1.43 -1.08 -1.26 -2.59 116.67 117.63 2cqo s ASP 97 Ca 0.34 1.02 -0.08 0.00 -0.52 0.00 0.00 52.55 53.30 2cqo s ASP 97 Cb -0.15 -2.53 -0.19 0.00 -1.46 0.00 0.00 42.92 38.59 2cqo s ASP 97 CO 0.18 -1.63 1.22 -0.07 0.52 0.00 0.00 175.17 175.39 2cqo h LEU 98 N 13.20 0.67 -6.77 -1.34 3.38 -1.70 -3.38 115.31 119.38 2cqo h LEU 98 Ca -0.30 -0.58 -0.63 0.00 0.09 0.00 0.00 57.88 56.46 2cqo h LEU 98 Cb 1.14 -0.21 -0.40 0.00 0.09 0.00 0.00 40.66 41.28 2cqo h LEU 98 CO 1.07 1.39 -0.45 0.47 0.09 0.00 0.00 178.44 181.01 2cqo n ASP 99 N -3.75 3.64 0.04 -0.43 8.00 -1.23 -4.88 116.55 117.93 2cqo n ASP 99 Ca -0.09 -3.30 0.08 0.00 0.71 0.00 0.00 54.79 52.18 2cqo n ASP 99 Cb 0.90 -0.79 0.35 0.00 -0.02 0.00 0.00 41.12 41.57 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 1.55 0.05 0.05 -0.24 -0.04 -1.26 -2.68 135.00 132.42 2cqo n PRO 100 Ca 0.24 0.30 -0.07 0.00 -0.04 0.00 0.00 63.50 63.94 2cqo n PRO 100 Cb 0.37 -1.60 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.43 -5.69 3.54 2.35 -1.96 -3.47 115.58 110.78 2cqo h ASN 101 Ca 0.00 -0.23 -0.43 0.00 -0.55 0.00 0.00 56.30 55.10 2cqo h ASN 101 Cb 0.27 -0.12 0.03 0.00 0.05 0.00 0.00 38.32 38.55 2cqo h ASN 101 CO 0.00 0.89 -0.68 0.59 -1.65 0.00 0.00 177.43 176.58 2cqo n ASN 102 N -3.94 -5.45 -0.02 5.81 3.02 -1.09 -4.87 115.26 108.71 2cqo n ASN 102 Ca -0.02 -0.56 0.06 0.00 -0.03 0.00 0.00 54.58 54.03 2cqo n ASN 102 Cb 0.58 -4.35 -0.14 0.00 -0.61 0.00 0.00 39.78 35.26 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 -4.66 0.21 -0.03 2.41 3.14 -1.26 -4.43 118.33 113.70 2cqo n VAL 103 Ca -0.00 -0.48 -0.15 0.00 -2.96 0.00 0.00 64.34 60.75 2cqo n VAL 103 Cb 0.56 -0.03 -0.11 0.00 -1.06 0.00 0.00 33.84 33.19 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 1.56 -0.18 1.55 5.03 -1.93 -3.19 117.51 120.35 2cqo h ILE 104 Ca -0.08 -1.93 0.05 0.00 -0.12 0.00 0.00 64.86 62.78 2cqo h ILE 104 Cb 1.07 2.79 -0.01 0.00 -3.03 0.00 0.00 36.82 37.64 2cqo h ILE 104 CO 0.00 0.52 0.32 0.16 -0.68 0.00 0.00 178.15 178.47 2cqo h ILE 105 N -0.56 0.23 -2.51 -0.67 -0.00 -1.99 -3.41 117.51 108.61 2cqo h ILE 105 Ca -0.02 0.00 -0.54 0.00 -0.00 0.00 0.00 64.86 64.30 2cqo h ILE 105 Cb 0.96 0.72 0.00 0.00 -0.00 0.00 0.00 36.82 38.51 2cqo h ILE 105 CO 0.04 0.00 1.14 -0.70 -0.00 0.00 0.00 178.15 178.63 2cqo s GLU 106 N -4.40 4.17 -0.46 0.16 2.12 -1.21 -4.95 118.70 114.13 2cqo s GLU 106 Ca -0.04 2.37 -0.20 0.00 0.36 0.00 0.00 54.97 57.46 2cqo s GLU 106 Cb 0.13 -4.04 0.03 0.00 0.26 0.00 0.00 34.13 30.51 2cqo s GLU 106 CO 0.44 -0.89 0.60 -1.54 -0.54 0.00 0.00 175.26 173.33 2cqo s SER 107 N 3.75 6.26 0.00 -1.70 1.04 -1.26 -4.92 113.70 116.87 2cqo s SER 107 Ca 0.80 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2cqo s SER 107 Cb -0.37 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2cqo s SER 107 CO 0.34 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2cqo n GLY 108 N 5.09 2.18 0.22 7.32 0.00 -1.26 -5.01 105.19 113.73 2cqo n GLY 108 Ca -0.04 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.51 2cqo n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqo h PRO 109 N 0.00 0.00 -5.00 1.61 0.13 -2.04 -3.38 132.00 123.32 2cqo h PRO 109 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 2cqo h PRO 109 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 2cqo h PRO 109 CO 0.00 0.00 1.18 0.45 -0.23 0.00 0.00 178.00 179.40 2cqo s SER 110 N -5.05 6.84 0.48 1.44 0.15 -1.26 -5.00 113.70 111.29 2cqo s SER 110 Ca 0.02 -2.47 -0.03 0.00 0.70 0.00 0.00 55.95 54.17 2cqo s SER 110 Cb 0.09 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2cqo s SER 110 CO 0.47 -0.95 0.75 -0.44 1.20 0.00 0.00 173.24 174.27 2cqo s SER 111 N 3.37 6.00 0.00 5.45 0.01 -1.26 -4.97 113.70 122.30 2cqo s SER 111 Ca 0.39 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2cqo s SER 111 Cb -0.03 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2cqo s SER 111 CO -0.04 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.54