#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 2.23 -1.60 1.61 0.15 -1.26 -4.82 113.70 110.01 2cqo s SER -5 Ca 0.00 -1.56 -0.18 0.00 0.70 0.00 0.00 55.95 54.91 2cqo s SER -5 Cb 0.00 0.32 0.18 0.00 -1.71 0.00 0.00 66.02 64.82 2cqo s SER -5 CO 0.00 -0.84 0.46 -1.54 1.20 0.00 0.00 173.24 172.52 2cqo n SER -4 N -1.01 -1.29 -2.87 5.45 3.41 -1.26 -4.88 113.62 111.16 2cqo n SER -4 Ca -0.03 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2cqo n SER -4 Cb 0.65 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2cqo n SER -4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqo n GLY -3 N -1.16 -0.98 3.93 5.00 0.00 -1.26 -5.07 105.19 105.65 2cqo n GLY -3 Ca 0.06 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.06 6.20 -0.22 1.61 0.01 -1.26 -5.08 113.70 113.90 2cqo s SER -2 Ca 0.00 0.56 -0.12 0.00 1.31 0.00 0.00 55.95 57.70 2cqo s SER -2 Cb 0.00 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 2cqo s SER -2 CO 0.00 -0.46 0.25 -0.44 0.41 0.00 0.00 173.24 173.00 2cqo s SER -1 N -4.09 6.24 0.00 2.44 0.01 -1.26 -5.07 113.70 111.97 2cqo s SER -1 Ca 0.44 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2cqo s SER -1 Cb -0.10 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2cqo s SER -1 CO 0.39 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2cqo n GLY 0 N 4.10 3.46 3.93 3.44 0.00 -1.26 -4.81 105.19 114.05 2cqo n GLY 0 Ca -0.13 -1.74 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 2cqo n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2cqo n MET 1 N 0.00 -0.94 -1.84 1.61 -0.00 -1.26 -4.75 117.12 109.94 2cqo n MET 1 Ca 0.00 0.07 -0.42 0.00 -0.00 0.00 0.00 57.70 57.35 2cqo n MET 1 Cb 0.00 -2.87 -0.03 0.00 -0.00 0.00 0.00 33.22 30.32 2cqo n MET 1 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2cqo s ASN 2 N -4.01 6.55 -0.05 3.17 -0.87 -1.26 -4.93 114.94 113.54 2cqo s ASN 2 Ca 0.04 2.44 -0.31 0.00 -1.57 0.00 0.00 52.86 53.46 2cqo s ASN 2 Cb -0.02 -2.53 0.12 0.00 -0.02 0.00 0.00 41.25 38.79 2cqo s ASN 2 CO 0.79 -1.00 1.21 -0.94 -2.57 0.00 0.00 177.10 174.59 2cqo s SER 3 N 3.94 -0.11 0.00 -1.22 1.04 -1.26 -5.15 113.70 110.94 2cqo s SER 3 Ca 0.81 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2cqo s SER 3 Cb -0.38 0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2cqo s SER 3 CO 0.35 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2cqo n GLY 4 N -0.35 -2.89 3.26 7.32 0.00 -1.26 -5.07 105.19 106.18 2cqo n GLY 4 Ca -0.06 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.71 2.12 1.18 1.61 3.00 -1.26 -5.14 118.95 117.75 2cqo s ARG 5 Ca 0.00 -0.84 -0.19 0.00 0.00 0.00 0.00 55.73 54.70 2cqo s ARG 5 Cb 0.00 -1.93 0.28 0.00 0.00 0.00 0.00 34.95 33.30 2cqo s ARG 5 CO 0.00 0.44 1.11 -1.25 0.00 0.00 0.00 175.30 175.60 2cqo s PRO 6 N -0.36 -1.08 -0.78 3.54 0.04 -1.26 -4.99 135.00 130.12 2cqo s PRO 6 Ca 0.04 -0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.08 2cqo s PRO 6 Cb -0.11 -1.61 0.33 0.00 0.04 0.00 0.00 34.50 33.15 2cqo s PRO 6 CO 0.01 -3.62 1.32 -0.85 0.04 0.00 0.00 177.00 173.89 2cqo n GLU 7 N -4.71 4.17 -4.67 4.56 0.28 -1.26 -5.01 120.64 113.99 2cqo n GLU 7 Ca 0.12 -4.78 -0.31 0.00 -0.16 0.00 0.00 57.16 52.04 2cqo n GLU 7 Cb 0.59 -2.34 -0.07 0.00 1.43 0.00 0.00 31.44 31.05 2cqo n GLU 7 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2cqo s THR 8 N -4.35 0.84 -0.84 3.84 -4.23 -1.26 -5.02 115.64 104.62 2cqo s THR 8 Ca 0.44 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.75 2cqo s THR 8 Cb 0.24 -2.16 -0.20 0.00 1.34 0.00 0.00 72.50 71.72 2cqo s THR 8 CO -0.13 0.00 2.25 0.23 -0.54 0.00 0.00 174.62 176.43 2cqo n MET 9 N -1.16 0.33 0.03 3.99 2.81 -1.26 -4.71 117.12 117.15 2cqo n MET 9 Ca -0.15 -0.65 0.03 0.00 -1.81 0.00 0.00 57.70 55.11 2cqo n MET 9 Cb 0.66 -2.84 0.39 0.00 -0.71 0.00 0.00 33.22 30.72 2cqo n MET 9 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2cqo h GLU 10 N 11.96 0.46 0.10 0.03 4.81 -1.95 -2.98 114.58 127.01 2cqo h GLU 10 Ca 0.01 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2cqo h GLU 10 Cb 1.04 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 2cqo h GLU 10 CO 1.18 0.40 -0.39 -0.91 -0.73 0.00 0.00 179.01 178.56 2cqo h ASN 11 N 0.46 -1.15 -4.25 1.04 2.35 -1.87 -3.42 115.58 108.74 2cqo h ASN 11 Ca 0.11 0.13 -0.49 0.00 -0.55 0.00 0.00 56.30 55.51 2cqo h ASN 11 Cb 0.13 0.43 0.04 0.00 0.05 0.00 0.00 38.32 38.98 2cqo h ASN 11 CO -0.01 -0.46 0.39 -0.76 -1.65 0.00 0.00 177.43 174.94 2cqo s LEU 12 N -10.29 3.46 0.00 1.61 1.43 -1.13 -4.40 118.68 109.36 2cqo s LEU 12 Ca -0.16 1.56 -0.19 0.00 -1.03 0.00 0.00 54.13 54.31 2cqo s LEU 12 Cb 0.08 -4.50 0.28 0.00 0.03 0.00 0.00 46.19 42.07 2cqo s LEU 12 CO 0.64 -0.80 0.98 -0.81 0.23 0.00 0.00 176.35 176.59 2cqo n PRO 13 N -2.08 -2.95 -2.76 1.29 -0.04 -1.26 -4.90 135.00 122.30 2cqo n PRO 13 Ca 0.07 -1.58 -0.21 0.00 -0.04 0.00 0.00 63.50 61.74 2cqo n PRO 13 Cb 0.54 -1.48 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 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 4.10 0.57 0.55 0.00 -1.26 -5.02 121.76 117.68 2cqo s ALA 14 Ca 0.64 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2cqo s ALA 14 Cb -0.06 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 2cqo s ALA 14 CO 0.49 -0.88 1.28 -1.17 0.00 0.00 0.00 175.76 175.48 2cqo s LEU 15 N -4.78 3.76 -1.21 0.00 2.96 -1.26 -2.27 118.68 115.88 2cqo s LEU 15 Ca 0.60 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 2cqo s LEU 15 Cb -0.08 -4.43 0.00 0.00 0.50 0.00 0.00 46.19 42.17 2cqo s LEU 15 CO 0.39 -1.60 0.00 -1.22 -1.32 0.00 0.00 176.35 172.60 2cqo n TYR 16 N -1.31 -1.03 -3.33 5.38 4.01 -0.92 -4.92 117.16 115.03 2cqo n TYR 16 Ca 0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2cqo n TYR 16 Cb 0.47 -2.76 -0.06 0.00 -0.31 0.00 0.00 39.34 36.68 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 -2.47 4.90 -0.14 -0.72 2.01 -0.96 -4.78 115.64 113.49 2cqo s THR 17 Ca 0.00 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.02 2cqo s THR 17 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2cqo s THR 17 CO 0.00 0.51 0.10 -0.63 -0.69 0.00 0.00 174.62 173.91 2cqo s ILE 18 N -0.75 5.11 0.27 1.82 1.01 -1.26 -2.02 121.20 125.38 2cqo s ILE 18 Ca 0.27 0.07 -0.17 0.00 0.00 0.00 0.00 60.65 60.82 2cqo s ILE 18 Cb -0.18 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.06 2cqo s ILE 18 CO 0.16 0.56 0.60 0.72 0.00 0.00 0.00 174.94 176.99 2cqo s PHE 19 N -0.55 0.10 -0.20 3.97 -0.12 -0.87 -5.03 117.98 115.28 2cqo s PHE 19 Ca 0.11 -0.51 -0.06 0.00 -0.05 0.00 0.00 56.93 56.43 2cqo s PHE 19 Cb -0.12 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 2cqo s PHE 19 CO 0.02 -1.13 0.02 -1.14 -0.05 0.00 0.00 175.22 172.94 2cqo s GLN 20 N -3.92 3.71 0.18 1.99 0.74 -1.26 -1.69 119.66 119.41 2cqo s GLN 20 Ca 0.17 -0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.13 2cqo s GLN 20 Cb -0.03 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 2cqo s GLN 20 CO 0.08 0.07 -0.01 0.20 -0.55 0.00 0.00 175.29 175.08 2cqo s GLY 21 N 0.86 1.27 -0.11 2.59 0.00 0.12 -4.23 107.32 107.82 2cqo s GLY 21 Ca 0.02 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 2cqo s GLY 21 CO 0.02 -1.57 -0.07 1.85 0.00 0.00 0.00 173.10 173.33 2cqo s GLU 22 N -3.88 3.21 0.13 2.90 2.12 -1.17 -0.30 118.70 121.72 2cqo s GLU 22 Ca 0.24 -0.57 -0.31 0.00 0.36 0.00 0.00 54.97 54.69 2cqo s GLU 22 Cb 0.05 -2.71 -0.10 0.00 0.26 0.00 0.00 34.13 31.64 2cqo s GLU 22 CO 0.04 0.42 1.62 0.08 -0.54 0.00 0.00 175.26 176.88 2cqo s VAL 23 N -0.15 2.74 -0.02 3.70 1.01 -0.64 -1.70 120.40 125.34 2cqo s VAL 23 Ca 0.02 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.49 2cqo s VAL 23 Cb -0.13 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 2cqo s VAL 23 CO 0.03 0.02 0.15 0.00 0.00 0.00 0.00 175.10 175.29 2cqo n ALA 24 N 4.62 2.21 -3.17 5.51 0.00 -0.40 -0.96 120.51 128.32 2cqo n ALA 24 Ca 0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 2cqo n ALA 24 Cb 0.39 -0.20 -0.11 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.48 0.35 -0.12 0.00 1.75 -1.23 -4.87 119.30 112.70 2cqo s MET 25 Ca -0.03 0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.76 2cqo s MET 25 Cb 0.05 0.17 0.01 0.00 2.84 0.00 0.00 34.83 37.90 2cqo s MET 25 CO 0.33 -0.05 -0.17 0.08 -0.65 0.00 0.00 175.02 174.56 2cqo s VAL 26 N 0.02 1.63 0.22 10.11 1.01 -1.26 -0.40 120.40 131.73 2cqo s VAL 26 Ca -0.01 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.32 2cqo s VAL 26 Cb -0.02 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2cqo s VAL 26 CO 0.01 0.47 -0.10 0.42 0.00 0.00 0.00 175.10 175.90 2cqo s THR 27 N 1.03 1.53 -1.86 3.92 -4.23 0.14 -5.00 115.64 111.17 2cqo s THR 27 Ca -0.05 -2.14 0.20 0.00 -1.18 0.00 0.00 61.69 58.52 2cqo s THR 27 Cb -0.15 -2.15 0.52 0.00 1.34 0.00 0.00 72.50 72.06 2cqo s THR 27 CO -0.03 -0.51 1.61 -0.67 -0.54 0.00 0.00 174.62 174.48 2cqo n ASP 28 N -0.41 0.00 0.00 3.99 2.03 -1.26 -2.11 116.55 118.80 2cqo n ASP 28 Ca -0.07 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.76 2cqo n ASP 28 Cb 0.62 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 -1.07 0.00 -1.93 -0.67 0.18 -1.26 -4.81 117.16 107.59 2cqo n TYR 29 Ca 0.14 -0.35 0.00 0.00 1.88 0.00 0.00 57.90 59.56 2cqo n TYR 29 Cb 0.09 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 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 -0.35 0.01 3.21 -7.48 0.00 -0.90 -1.36 105.19 98.32 2cqo n GLY 30 Ca 0.00 -1.55 -0.13 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 -0.69 -0.06 4.61 0.00 -0.65 0.26 121.76 124.23 2cqo s ALA 31 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 2cqo s ALA 31 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2cqo s ALA 31 CO 0.00 -0.24 0.38 -0.06 0.00 0.00 0.00 175.76 175.85 2cqo s PHE 32 N -1.15 3.63 -0.04 0.00 0.40 0.47 -0.52 117.98 120.77 2cqo s PHE 32 Ca -0.12 0.88 0.05 0.00 -0.60 0.00 0.00 56.93 57.14 2cqo s PHE 32 Cb -0.05 -2.32 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 2cqo s PHE 32 CO 0.03 0.49 -0.21 0.42 0.70 0.00 0.00 175.22 176.65 2cqo s ILE 33 N -0.49 1.73 -0.25 0.64 -1.09 -0.36 -1.28 121.20 120.10 2cqo s ILE 33 Ca 0.22 -0.90 -0.16 0.00 -2.23 0.00 0.00 60.65 57.59 2cqo s ILE 33 Cb -0.15 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 2cqo s ILE 33 CO 0.11 0.49 0.42 -0.54 -1.23 0.00 0.00 174.94 174.18 2cqo s LYS 34 N -0.14 4.06 0.15 2.79 1.02 -0.69 -2.36 119.74 124.58 2cqo s LYS 34 Ca -0.02 0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.85 2cqo s LYS 34 Cb -0.12 -3.63 -0.07 0.00 -0.52 0.00 0.00 37.83 33.49 2cqo s LYS 34 CO 0.02 -0.25 0.86 0.42 -0.92 0.00 0.00 175.35 175.48 2cqo s ILE 35 N 1.98 4.38 -0.09 2.17 1.01 -1.26 -3.02 121.20 126.37 2cqo s ILE 35 Ca 0.18 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.40 2cqo s ILE 35 Cb -0.16 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2cqo s ILE 35 CO 0.09 0.45 1.52 -2.16 0.00 0.00 0.00 174.94 174.84 2cqo s PRO 36 N -0.72 4.20 -0.21 2.79 0.04 -1.26 -3.13 135.00 136.71 2cqo s PRO 36 Ca 0.40 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 2cqo s PRO 36 Cb -0.23 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2cqo s PRO 36 CO 0.28 -0.79 0.18 0.41 0.04 0.00 0.00 177.00 177.12 2cqo n GLY 37 N 3.95 0.65 1.97 0.56 0.00 -1.26 -5.05 105.19 106.01 2cqo n GLY 37 Ca 0.16 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.57 2.82 -4.38 0.00 5.12 -1.26 -5.04 116.66 113.35 2cqo n ARG 39 Ca -0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.63 2cqo n ARG 39 Cb 0.36 -1.01 -0.09 0.00 -1.16 0.00 0.00 32.46 30.57 2cqo n ARG 39 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cqo s LYS 40 N -2.01 2.00 0.19 5.56 -0.14 -1.26 -5.14 119.74 118.95 2cqo s LYS 40 Ca -0.00 -1.61 0.06 0.00 -1.36 0.00 0.00 55.97 53.06 2cqo s LYS 40 Cb 0.00 -1.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 2cqo s LYS 40 CO 0.01 0.32 0.10 -0.65 -0.76 0.00 0.00 175.35 174.36 2cqo s GLN 41 N -3.61 2.73 0.23 1.68 -0.21 -1.26 -4.55 119.66 114.67 2cqo s GLN 41 Ca 0.31 -1.00 0.08 0.00 0.02 0.00 0.00 55.36 54.77 2cqo s GLN 41 Cb -0.05 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2cqo s GLN 41 CO 0.18 0.45 0.03 0.20 -2.12 0.00 0.00 175.29 174.04 2cqo s GLY 42 N -3.22 1.63 -0.04 3.09 0.00 -0.99 -4.71 107.32 103.08 2cqo s GLY 42 Ca 0.30 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.53 2cqo s GLY 42 CO 0.22 -1.56 -0.07 -2.27 0.00 0.00 0.00 173.10 169.43 2cqo s LEU 43 N -3.45 3.17 -0.30 0.66 2.96 -0.35 -1.23 118.68 120.15 2cqo s LEU 43 Ca 0.30 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2cqo s LEU 43 Cb -0.08 -1.74 0.05 0.00 0.50 0.00 0.00 46.19 44.93 2cqo s LEU 43 CO 0.20 0.33 0.01 -0.69 -1.32 0.00 0.00 176.35 174.88 2cqo s VAL 44 N -0.88 2.97 0.62 1.68 1.01 0.32 -1.91 120.40 124.21 2cqo s VAL 44 Ca 0.14 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 2cqo s VAL 44 Cb -0.11 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 2cqo s VAL 44 CO 0.04 -0.14 0.68 1.57 0.00 0.00 0.00 175.10 177.25 2cqo n HIS 45 N 4.61 -0.17 0.14 5.22 -0.00 -1.26 -1.63 115.22 122.12 2cqo n HIS 45 Ca -0.12 0.42 0.06 0.00 0.46 0.00 0.00 57.72 58.53 2cqo n HIS 45 Cb 0.43 -2.01 0.52 0.00 -0.12 0.00 0.00 29.99 28.81 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 0.17 0.24 -0.35 1.57 0.11 -1.56 -1.52 114.38 113.03 2cqo h ARG 46 Ca -0.47 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.55 2cqo h ARG 46 Cb 1.38 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 2cqo h ARG 46 CO 0.47 0.19 0.04 1.79 0.10 0.00 0.00 179.97 182.57 2cqo h THR 47 N 0.25 1.18 0.00 0.08 1.35 -1.89 -1.84 112.91 112.04 2cqo h THR 47 Ca 0.06 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2cqo h THR 47 Cb 0.03 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2cqo h THR 47 CO -0.01 0.24 -0.46 1.41 -0.25 0.00 0.00 175.52 176.46 2cqo n HIS 48 N -4.31 0.17 0.21 4.73 8.25 -0.65 -3.71 115.22 119.91 2cqo n HIS 48 Ca 0.02 0.05 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 2cqo n HIS 48 Cb 0.22 -0.41 0.36 0.00 1.12 0.00 0.00 29.99 31.28 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 0.00 -4.92 -0.41 2.07 -0.52 0.49 114.93 111.64 2cqo h MET 49 Ca 0.00 0.00 -0.35 0.00 -2.07 0.00 0.00 59.70 57.28 2cqo h MET 49 Cb 0.57 0.00 -0.14 0.00 -1.87 0.00 0.00 31.60 30.16 2cqo h MET 49 CO 0.00 0.26 -0.64 0.45 1.07 0.00 0.00 176.91 178.05 2cqo s SER 50 N -6.23 1.40 0.02 1.22 0.15 -1.19 -4.69 113.70 104.37 2cqo s SER 50 Ca 0.02 -1.29 -0.09 0.00 0.70 0.00 0.00 55.95 55.29 2cqo s SER 50 Cb 0.09 0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2cqo s SER 50 CO 0.66 -0.64 1.13 -1.28 1.20 0.00 0.00 173.24 174.31 2cqo h SER 51 N 2.47 -0.28 0.00 5.45 0.87 -1.88 -3.43 113.55 116.74 2cqo h SER 51 Ca -0.38 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2cqo h SER 51 Cb 1.23 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2cqo h SER 51 CO 0.63 -0.18 0.00 0.00 -0.53 0.00 0.00 176.83 176.74 2cqo s ARG 53 N -1.05 4.48 -0.41 0.00 3.00 -1.26 -5.00 118.95 118.71 2cqo s ARG 53 Ca 0.00 1.55 0.03 0.00 -1.00 0.00 0.00 55.73 56.32 2cqo s ARG 53 Cb 0.00 -3.44 0.11 0.00 0.00 0.00 0.00 34.95 31.62 2cqo s ARG 53 CO 0.00 -0.19 0.14 0.08 0.00 0.00 0.00 175.30 175.33 2cqo s VAL 54 N 1.27 2.21 0.06 7.11 1.01 -1.26 -4.91 120.40 125.89 2cqo s VAL 54 Ca 0.54 -2.62 -0.16 0.00 0.00 0.00 0.00 61.98 59.74 2cqo s VAL 54 Cb -0.24 -2.60 -0.20 0.00 0.00 0.00 0.00 36.38 33.35 2cqo s VAL 54 CO 0.27 -0.69 1.21 -2.24 0.00 0.00 0.00 175.10 173.65 2cqo h ASP 55 N 7.21 0.78 -0.87 3.32 2.03 -1.99 -3.44 116.42 123.46 2cqo h ASP 55 Ca -0.06 -0.69 0.09 0.00 -0.73 0.00 0.00 57.03 55.64 2cqo h ASP 55 Cb 0.97 -0.23 -0.21 0.00 -0.83 0.00 0.00 39.33 39.03 2cqo h ASP 55 CO 0.57 1.35 -0.25 -1.59 -1.03 0.00 0.00 179.24 178.29 2cqo s LYS 56 N -3.51 0.49 0.21 4.15 -2.85 -1.26 -5.01 119.74 111.96 2cqo s LYS 56 Ca -0.11 0.68 0.22 0.00 -1.00 0.00 0.00 55.97 55.75 2cqo s LYS 56 Cb 0.06 0.35 0.92 0.00 -2.06 0.00 0.00 37.83 37.10 2cqo s LYS 56 CO 0.87 -0.72 1.66 -0.35 0.10 0.00 0.00 175.35 176.92 2cqo n PRO 57 N 5.40 0.16 0.16 1.78 -0.04 -1.26 -2.35 135.00 138.85 2cqo n PRO 57 Ca 0.02 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.92 2cqo n PRO 57 Cb 0.53 -1.81 0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.27 3.54 0.02 -1.86 -3.12 113.55 112.40 2cqo h SER 58 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2cqo h SER 58 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2cqo h SER 58 CO 0.00 0.43 -0.35 -0.62 -1.14 0.00 0.00 176.83 175.15 2cqo n GLU 59 N -3.25 0.64 0.07 3.45 -0.58 -0.99 -3.97 120.64 116.01 2cqo n GLU 59 Ca 0.02 -0.40 -0.16 0.00 -0.42 0.00 0.00 57.16 56.20 2cqo n GLU 59 Cb 0.68 -1.49 -0.14 0.00 -0.57 0.00 0.00 31.44 29.92 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 0.97 1.24 -4.62 -3.67 2.04 -1.56 -3.48 117.51 108.42 2cqo h ILE 60 Ca 0.00 -2.87 -0.27 0.00 1.00 0.00 0.00 64.86 62.72 2cqo h ILE 60 Cb 0.52 2.80 -0.15 0.00 -0.74 0.00 0.00 36.82 39.25 2cqo h ILE 60 CO 0.00 0.83 -0.59 0.68 0.00 0.00 0.00 178.15 179.07 2cqo s VAL 61 N -2.63 0.00 -0.22 1.67 -7.23 -1.24 -5.14 120.40 105.61 2cqo s VAL 61 Ca -0.07 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 2cqo s VAL 61 Cb 0.07 -2.50 0.06 0.00 0.56 0.00 0.00 36.38 34.58 2cqo s VAL 61 CO 0.86 0.00 0.56 -1.81 -0.31 0.00 0.00 175.10 174.40 2cqo s ASP 62 N -3.19 -0.66 -0.36 4.85 1.11 -1.26 -4.77 116.67 112.38 2cqo s ASP 62 Ca 0.39 1.17 -0.43 0.00 0.18 0.00 0.00 52.55 53.86 2cqo s ASP 62 Cb 0.06 1.13 -0.19 0.00 1.07 0.00 0.00 42.92 44.99 2cqo s ASP 62 CO 0.15 -0.21 1.41 0.52 1.18 0.00 0.00 175.17 178.22 2cqo n VAL 63 N 3.46 0.00 0.00 -1.27 0.31 -1.26 -0.82 118.33 118.75 2cqo n VAL 63 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2cqo n VAL 63 Cb 0.57 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 3.26 2.29 3.71 2.92 0.00 -0.13 -4.99 105.19 112.24 2cqo n GLY 64 Ca 0.27 0.00 -0.40 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 -1.68 7.02 -0.06 1.61 1.01 0.00 -4.82 116.67 119.75 2cqo s ASP 65 Ca 0.00 1.24 -0.20 0.00 0.71 0.00 0.00 52.55 54.29 2cqo s ASP 65 Cb 0.00 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2cqo s ASP 65 CO 0.00 -0.16 0.57 -0.75 0.21 0.00 0.00 175.17 175.04 2cqo s LYS 66 N 0.97 4.34 0.20 8.23 2.20 -1.26 -1.62 119.74 132.80 2cqo s LYS 66 Ca 0.39 0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 56.63 2cqo s LYS 66 Cb -0.18 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2cqo s LYS 66 CO 0.19 0.23 0.16 0.14 -0.36 0.00 0.00 175.35 175.70 2cqo s VAL 67 N 0.33 0.00 -0.18 4.02 -7.23 0.59 -4.98 120.40 112.96 2cqo s VAL 67 Ca 0.30 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.46 2cqo s VAL 67 Cb -0.17 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2cqo s VAL 67 CO 0.15 -0.02 0.06 0.26 -0.31 0.00 0.00 175.10 175.24 2cqo s TRP 68 N -4.14 3.26 0.14 2.82 0.52 -1.26 -0.71 118.94 119.57 2cqo s TRP 68 Ca 0.37 0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.64 2cqo s TRP 68 Cb 0.06 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 2cqo s TRP 68 CO 0.11 0.18 -0.13 0.14 0.02 0.00 0.00 176.95 177.28 2cqo s VAL 69 N 0.29 1.34 -0.08 4.03 -7.23 -0.68 -4.65 120.40 113.42 2cqo s VAL 69 Ca 0.04 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2cqo s VAL 69 Cb -0.12 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.14 2cqo s VAL 69 CO 0.00 -0.55 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.41 2cqo s LYS 70 N -3.15 1.42 0.34 4.82 2.20 0.11 -2.06 119.74 123.43 2cqo s LYS 70 Ca 0.13 -0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 2cqo s LYS 70 Cb -0.02 -1.33 -0.11 0.00 -1.51 0.00 0.00 37.83 34.86 2cqo s LYS 70 CO 0.03 -0.11 1.51 -0.11 -0.36 0.00 0.00 175.35 176.31 2cqo n LEU 71 N 4.29 4.50 -0.01 5.43 7.94 -0.86 -0.33 117.00 137.96 2cqo n LEU 71 Ca -0.19 1.20 -0.02 0.00 -1.11 0.00 0.00 56.01 55.89 2cqo n LEU 71 Cb 0.51 -1.60 -0.02 0.00 0.53 0.00 0.00 43.42 42.84 2cqo n LEU 71 CO 0.21 0.09 -0.60 2.30 -1.11 0.00 0.00 177.39 178.29 2cqo n ILE 72 N 1.06 0.19 -3.64 1.96 -5.35 -0.79 -2.17 119.36 110.63 2cqo n ILE 72 Ca 0.04 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.32 2cqo n ILE 72 Cb 0.38 -0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 37.36 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 -3.59 -0.34 -0.21 3.28 0.00 -1.22 -4.83 107.32 100.41 2cqo s GLY 73 Ca -0.02 2.49 -0.05 0.00 0.00 0.00 0.00 44.72 47.14 2cqo s GLY 73 CO 0.10 2.00 -0.01 0.50 0.00 0.00 0.00 173.10 175.70 2cqo s ARG 74 N 0.66 3.55 -0.09 2.90 0.52 -1.26 -2.03 118.95 123.19 2cqo s ARG 74 Ca -0.02 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2cqo s ARG 74 Cb -0.05 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.37 2cqo s ARG 74 CO -0.07 -0.06 -0.10 -1.21 0.02 0.00 0.00 175.30 173.88 2cqo s GLU 75 N 1.18 1.62 -0.25 3.54 8.01 -0.34 -5.05 118.70 127.40 2cqo s GLU 75 Ca 0.03 -0.33 0.00 0.00 0.01 0.00 0.00 54.97 54.68 2cqo s GLU 75 Cb -0.14 -1.52 0.04 0.00 -4.31 0.00 0.00 34.13 28.19 2cqo s GLU 75 CO 0.01 -0.14 -0.10 1.41 0.01 0.00 0.00 175.26 176.45 2cqo s MET 76 N 1.25 2.63 0.05 1.61 1.75 -1.26 0.11 119.30 125.45 2cqo s MET 76 Ca -0.03 -1.10 0.01 0.00 -1.25 0.00 0.00 55.69 53.32 2cqo s MET 76 Cb -0.14 -2.90 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 2cqo s MET 76 CO -0.03 -0.44 0.12 0.15 -0.65 0.00 0.00 175.02 174.16 2cqo s LYS 77 N 1.24 3.08 0.26 4.11 1.02 0.45 -4.97 119.74 124.94 2cqo s LYS 77 Ca -0.02 -0.57 0.17 0.00 0.02 0.00 0.00 55.97 55.56 2cqo s LYS 77 Cb -0.17 -2.85 0.91 0.00 -0.52 0.00 0.00 37.83 35.20 2cqo s LYS 77 CO -0.06 0.60 1.50 -1.71 -0.92 0.00 0.00 175.35 174.76 2cqo n ASN 78 N 0.57 0.44 -0.08 2.83 5.15 -1.26 -0.99 115.26 121.92 2cqo n ASN 78 Ca -0.09 0.70 -0.10 0.00 -0.60 0.00 0.00 54.58 54.49 2cqo n ASN 78 Cb 0.52 -0.74 -0.15 0.00 -0.53 0.00 0.00 39.78 38.87 2cqo n ASN 78 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2cqo n ASP 79 N -2.09 0.32 -3.61 1.20 -0.08 -1.26 -5.04 116.55 105.98 2cqo n ASP 79 Ca -0.01 0.09 -0.04 0.00 -1.51 0.00 0.00 54.79 53.31 2cqo n ASP 79 Cb 0.05 0.67 -0.03 0.00 2.34 0.00 0.00 41.12 44.15 2cqo n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cqo s ARG 80 N -2.52 0.23 -0.25 -0.67 1.70 -0.16 -5.14 118.95 112.14 2cqo s ARG 80 Ca -0.10 -0.05 -0.17 0.00 -0.47 0.00 0.00 55.73 54.95 2cqo s ARG 80 Cb 0.07 0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 2cqo s ARG 80 CO 0.82 -0.09 0.45 0.42 -1.08 0.00 0.00 175.30 175.81 2cqo s ILE 81 N -1.93 5.13 -0.19 4.99 1.01 -1.26 -0.41 121.20 128.53 2cqo s ILE 81 Ca 0.09 0.75 -0.08 0.00 0.00 0.00 0.00 60.65 61.40 2cqo s ILE 81 Cb -0.01 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2cqo s ILE 81 CO -0.04 0.15 0.09 -0.75 0.00 0.00 0.00 174.94 174.38 2cqo s LYS 82 N 2.00 4.03 -0.17 2.79 2.47 0.29 -4.95 119.74 126.20 2cqo s LYS 82 Ca 0.19 -0.31 0.01 0.00 -1.56 0.00 0.00 55.97 54.30 2cqo s LYS 82 Cb -0.15 -3.30 0.03 0.00 -1.46 0.00 0.00 37.83 32.95 2cqo s LYS 82 CO 0.09 0.25 -0.15 0.08 0.16 0.00 0.00 175.35 175.78 2cqo s VAL 83 N 0.46 1.76 -0.20 4.02 1.01 -1.26 -1.20 120.40 124.99 2cqo s VAL 83 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2cqo s VAL 83 Cb -0.12 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2cqo s VAL 83 CO 0.00 0.41 0.27 -0.44 0.00 0.00 0.00 175.10 175.34 2cqo s SER 84 N 1.39 6.33 0.23 3.32 0.01 -0.86 -1.20 113.70 122.91 2cqo s SER 84 Ca 0.03 0.37 0.09 0.00 1.31 0.00 0.00 55.95 57.76 2cqo s SER 84 Cb -0.14 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 63.88 2cqo s SER 84 CO -0.11 0.04 -0.17 -0.76 0.41 0.00 0.00 173.24 172.66 2cqo s LEU 85 N 0.88 2.56 0.04 2.44 1.43 -0.80 -1.88 118.68 123.35 2cqo s LEU 85 Ca 0.14 -1.01 0.06 0.00 -1.03 0.00 0.00 54.13 52.29 2cqo s LEU 85 Cb -0.13 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2cqo s LEU 85 CO 0.05 -0.08 -0.17 -0.55 0.23 0.00 0.00 176.35 175.82 2cqo s SER 86 N -3.35 2.02 0.00 2.29 0.15 0.55 -4.22 113.70 111.14 2cqo s SER 86 Ca 0.25 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2cqo s SER 86 Cb -0.03 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2cqo s SER 86 CO 0.10 0.09 0.00 0.23 1.20 0.00 0.00 173.24 174.86 2cqo n MET 87 N 1.88 2.78 0.04 5.44 2.81 -1.08 0.04 117.12 129.02 2cqo n MET 87 Ca -0.18 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.77 2cqo n MET 87 Cb 0.54 -0.90 0.26 0.00 -0.71 0.00 0.00 33.22 32.41 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 -1.79 0.05 -0.64 0.03 2.85 0.17 -1.46 118.16 117.37 2cqo n LYS 88 Ca 0.00 0.41 0.01 0.00 -1.05 0.00 0.00 58.31 57.68 2cqo n LYS 88 Cb 0.40 -1.61 0.23 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.70 2.45 -3.68 0.58 0.24 -1.26 -4.89 118.33 110.07 2cqo n VAL 89 Ca 0.01 -2.29 -0.09 0.00 -2.04 0.00 0.00 64.34 59.93 2cqo n VAL 89 Cb 0.10 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.08 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 -3.05 -0.22 0.86 3.34 1.01 -0.53 -2.49 120.40 119.32 2cqo s VAL 90 Ca 0.44 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 2cqo s VAL 90 Cb 0.38 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 36.16 2cqo s VAL 90 CO 0.05 0.04 1.09 -3.20 0.00 0.00 0.00 175.10 173.08 2cqo n ASN 91 N 4.61 0.42 -0.01 3.32 2.85 -0.65 -4.87 115.26 120.93 2cqo n ASN 91 Ca -0.19 0.50 0.04 0.00 -0.11 0.00 0.00 54.58 54.83 2cqo n ASN 91 Cb 0.54 -1.46 -0.09 0.00 1.24 0.00 0.00 39.78 40.01 2cqo n ASN 91 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cqo n GLN 92 N -3.45 0.61 0.11 1.20 1.13 -1.26 -2.86 117.38 112.86 2cqo n GLN 92 Ca 0.12 -0.09 0.06 0.00 -1.94 0.00 0.00 57.00 55.15 2cqo n GLN 92 Cb 0.51 -1.27 0.01 0.00 0.11 0.00 0.00 30.24 29.61 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 2.05 0.00 0.00 1.08 0.00 -1.99 -3.41 103.07 100.80 2cqo h GLY 93 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2cqo h GLY 93 CO 0.00 0.00 -0.53 -1.30 0.00 0.00 0.00 176.54 174.71 2cqo n THR 94 N -2.96 0.00 -1.26 4.70 -2.24 -1.26 -5.04 114.28 106.22 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 0.68 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 1.82 0.47 3.90 3.38 0.00 -1.14 -5.03 105.19 108.60 2cqo n GLY 95 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.55 3.58 0.09 1.61 2.20 -1.26 -4.73 119.74 118.68 2cqo s LYS 96 Ca 0.00 0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.52 2cqo s LYS 96 Cb 0.00 -2.39 -0.06 0.00 -1.51 0.00 0.00 37.83 33.86 2cqo s LYS 96 CO 0.00 -0.16 1.23 0.34 -0.36 0.00 0.00 175.35 176.41 2cqo s ASP 97 N -3.93 7.04 -0.05 1.43 -1.08 -1.26 -1.64 116.67 117.17 2cqo s ASP 97 Ca 0.48 2.11 0.16 0.00 -0.52 0.00 0.00 52.55 54.78 2cqo s ASP 97 Cb -0.10 -2.59 -0.25 0.00 -1.46 0.00 0.00 42.92 38.52 2cqo s ASP 97 CO 0.42 -0.48 0.31 0.18 0.52 0.00 0.00 175.17 176.12 2cqo n LEU 98 N 3.66 0.00 -3.45 -1.34 4.77 -1.04 -4.74 117.00 114.87 2cqo n LEU 98 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 2cqo n LEU 98 Cb 0.45 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2cqo n LEU 98 CO 0.56 0.07 -0.20 -0.67 -1.33 0.00 0.00 177.39 175.82 2cqo n ASP 99 N -2.17 1.02 0.00 -1.43 2.03 -1.25 -4.93 116.55 109.83 2cqo n ASP 99 Ca -0.07 -2.79 0.07 0.00 0.52 0.00 0.00 54.79 52.53 2cqo n ASP 99 Cb 0.54 -0.63 0.37 0.00 -0.72 0.00 0.00 41.12 40.67 2cqo n ASP 99 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2cqo n PRO 100 N 1.99 0.19 -0.01 -0.67 -0.04 -1.26 -2.98 135.00 132.22 2cqo n PRO 100 Ca 0.26 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.71 2cqo n PRO 100 Cb 0.46 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.24 -2.75 3.54 2.35 -2.01 -3.48 115.58 113.47 2cqo h ASN 101 Ca 0.00 -0.90 -0.13 0.00 -0.55 0.00 0.00 56.30 54.72 2cqo h ASN 101 Cb 0.15 -0.08 0.05 0.00 0.05 0.00 0.00 38.32 38.49 2cqo h ASN 101 CO 0.00 1.12 -0.23 0.59 -1.65 0.00 0.00 177.43 177.25 2cqo n ASN 102 N -4.41 -3.18 -0.00 5.81 3.02 -1.16 -4.96 115.26 110.39 2cqo n ASN 102 Ca -0.11 -0.19 0.07 0.00 -0.03 0.00 0.00 54.58 54.32 2cqo n ASN 102 Cb 0.60 -2.03 -0.10 0.00 -0.61 0.00 0.00 39.78 37.64 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 -3.08 0.00 0.04 2.41 3.14 -1.26 -4.52 118.33 115.07 2cqo n VAL 103 Ca -0.02 -0.28 -0.03 0.00 -2.96 0.00 0.00 64.34 61.05 2cqo n VAL 103 Cb 0.53 0.42 -0.01 0.00 -1.06 0.00 0.00 33.84 33.71 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 0.00 -1.24 1.55 5.03 -1.92 -3.23 117.51 117.69 2cqo h ILE 104 Ca 0.00 -0.74 0.36 0.00 -0.12 0.00 0.00 64.86 64.36 2cqo h ILE 104 Cb 0.55 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.29 2cqo h ILE 104 CO 0.00 0.00 1.02 0.16 -0.68 0.00 0.00 178.15 178.65 2cqo h ILE 105 N -0.94 0.21 0.28 -0.67 -0.00 -2.00 0.16 117.51 114.55 2cqo h ILE 105 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.83 2cqo h ILE 105 Cb 0.15 0.25 0.00 0.00 -0.00 0.00 0.00 36.82 37.23 2cqo h ILE 105 CO 0.03 0.00 -0.13 -0.08 -0.00 0.00 0.00 178.15 177.97 2cqo h GLU 106 N 0.00 -0.36 -6.65 0.16 4.57 -1.79 -3.44 114.58 107.06 2cqo h GLU 106 Ca 0.59 0.02 -0.50 0.00 -1.18 0.00 0.00 59.36 58.30 2cqo h GLU 106 Cb 2.63 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 31.31 2cqo h GLU 106 CO -0.01 -0.04 -0.06 -1.54 -1.18 0.00 0.00 179.01 176.19 2cqo s SER 107 N -5.13 6.37 0.48 1.04 1.04 0.56 -5.11 113.70 112.95 2cqo s SER 107 Ca -0.14 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.05 2cqo s SER 107 Cb 0.02 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 64.00 2cqo s SER 107 CO 0.55 -0.34 0.18 0.61 0.98 0.00 0.00 173.24 175.21 2cqo n GLY 108 N -1.53 3.22 3.77 7.32 0.00 -1.26 -4.84 105.19 111.86 2cqo n GLY 108 Ca -0.01 -2.33 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 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 -3.85 4.25 -0.28 1.61 0.04 -1.26 -5.03 135.00 130.48 2cqo s PRO 109 Ca 0.13 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 2cqo s PRO 109 Cb -0.01 -2.90 0.05 0.00 0.04 0.00 0.00 34.50 31.68 2cqo s PRO 109 CO 0.08 -0.19 -0.03 0.45 0.04 0.00 0.00 177.00 177.35 2cqo s SER 110 N -0.86 4.70 1.11 6.66 0.15 -1.26 -5.11 113.70 119.10 2cqo s SER 110 Ca 0.52 -1.23 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 2cqo s SER 110 Cb -0.34 -1.67 0.25 0.00 -1.71 0.00 0.00 66.02 62.55 2cqo s SER 110 CO 0.44 -0.22 1.05 -0.94 1.20 0.00 0.00 173.24 174.77 2cqo s SER 111 N 1.23 1.47 0.00 5.45 1.04 -1.26 -5.32 113.70 116.31 2cqo s SER 111 Ca -0.05 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.85 2cqo s SER 111 Cb -0.19 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2cqo s SER 111 CO -0.02 -3.89 0.00 0.61 0.98 0.00 0.00 173.24 170.92