#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 4.59 0.10 1.61 0.15 -1.26 -4.89 113.70 114.00 2cqo s SER -5 Ca 0.00 -0.82 0.05 0.00 0.70 0.00 0.00 55.95 55.88 2cqo s SER -5 Cb 0.00 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2cqo s SER -5 CO 0.00 -3.38 -0.13 -0.55 1.20 0.00 0.00 173.24 170.38 2cqo s SER -4 N 8.31 1.75 -0.28 5.45 0.15 -1.26 -5.15 113.70 122.67 2cqo s SER -4 Ca 0.76 -0.74 -0.21 0.00 0.70 0.00 0.00 55.95 56.45 2cqo s SER -4 Cb -0.06 -0.04 0.10 0.00 -1.71 0.00 0.00 66.02 64.31 2cqo s SER -4 CO 0.07 -0.15 0.86 -0.83 1.20 0.00 0.00 173.24 174.40 2cqo s GLY -3 N -2.21 -0.33 -0.29 9.45 0.00 -1.26 -4.87 107.32 107.81 2cqo s GLY -3 Ca 0.04 2.53 -0.00 0.00 0.00 0.00 0.00 44.72 47.29 2cqo s GLY -3 CO 0.02 2.07 0.57 -0.45 0.00 0.00 0.00 173.10 175.31 2cqo s SER -2 N 0.77 -1.18 -0.54 1.64 0.15 -1.26 -5.09 113.70 108.19 2cqo s SER -2 Ca -0.03 0.70 -0.26 0.00 0.70 0.00 0.00 55.95 57.06 2cqo s SER -2 Cb -0.05 2.01 -0.07 0.00 -1.71 0.00 0.00 66.02 66.20 2cqo s SER -2 CO -0.09 -0.27 2.36 -0.44 1.20 0.00 0.00 173.24 176.00 2cqo s SER -1 N 2.81 4.44 0.00 5.45 0.01 -1.26 -4.57 113.70 120.57 2cqo s SER -1 Ca 0.19 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.31 2cqo s SER -1 Cb -0.14 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2cqo s SER -1 CO -0.21 -2.97 0.00 0.61 0.41 0.00 0.00 173.24 171.08 2cqo n GLY 0 N 6.09 0.66 2.93 3.44 0.00 -1.26 -4.90 105.19 112.15 2cqo n GLY 0 Ca 0.37 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.28 0.09 0.34 1.61 -1.94 -1.26 -5.16 119.30 108.70 2cqo s MET 1 Ca 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 55.69 54.22 2cqo s MET 1 Cb 0.00 -0.11 0.02 0.00 2.01 0.00 0.00 34.83 36.75 2cqo s MET 1 CO 0.00 -0.12 0.53 0.09 -0.01 0.00 0.00 175.02 175.51 2cqo n ASN 2 N 3.83 -1.50 0.00 3.03 3.02 -1.26 -5.09 115.26 117.29 2cqo n ASN 2 Ca -0.22 -2.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 2cqo n ASN 2 Cb 0.54 2.70 0.00 0.00 -0.61 0.00 0.00 39.78 42.41 2cqo n ASN 2 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2cqo n SER 3 N -1.61 0.87 0.00 6.41 7.64 -1.26 -5.06 113.62 120.61 2cqo n SER 3 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2cqo n SER 3 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2cqo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cqo n GLY 4 N 2.39 -0.35 3.76 0.23 0.00 -1.26 -5.17 105.19 104.80 2cqo n GLY 4 Ca 0.00 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.08 0.94 1.61 3.00 -1.26 -5.11 118.95 121.21 2cqo s ARG 5 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 55.73 55.18 2cqo s ARG 5 Cb 0.00 -2.87 0.16 0.00 0.00 0.00 0.00 34.95 32.23 2cqo s ARG 5 CO 0.00 0.68 1.09 -1.25 0.00 0.00 0.00 175.30 175.82 2cqo s PRO 6 N -1.42 0.88 0.03 3.54 0.04 -1.26 -5.08 135.00 131.72 2cqo s PRO 6 Ca 0.19 0.68 0.03 0.00 0.04 0.00 0.00 61.00 61.94 2cqo s PRO 6 Cb -0.12 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2cqo s PRO 6 CO 0.10 -2.47 -0.09 -1.21 0.04 0.00 0.00 177.00 173.37 2cqo s GLU 7 N -4.95 0.64 0.00 4.56 0.41 -1.26 -5.03 118.70 113.07 2cqo s GLU 7 Ca 0.64 -0.58 0.12 0.00 -0.41 0.00 0.00 54.97 54.74 2cqo s GLU 7 Cb -0.18 -0.55 -0.08 0.00 -1.78 0.00 0.00 34.13 31.54 2cqo s GLU 7 CO 0.57 0.13 0.57 -2.37 -0.49 0.00 0.00 175.26 173.67 2cqo n THR 8 N 2.08 0.00 -3.91 3.63 5.66 -1.26 -4.88 114.28 115.60 2cqo n THR 8 Ca -0.18 -0.29 -0.30 0.00 -3.05 0.00 0.00 64.05 60.23 2cqo n THR 8 Cb 0.56 1.06 -0.15 0.00 -1.55 0.00 0.00 70.33 70.24 2cqo n THR 8 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2cqo s MET 9 N -1.87 1.40 -0.01 1.09 -2.45 -1.26 -4.94 119.30 111.25 2cqo s MET 9 Ca 0.07 -1.13 0.07 0.00 -1.25 0.00 0.00 55.69 53.44 2cqo s MET 9 Cb 0.09 -2.57 0.19 0.00 1.25 0.00 0.00 34.83 33.79 2cqo s MET 9 CO 0.40 -0.73 1.15 0.39 1.05 0.00 0.00 175.02 177.29 2cqo n GLU 10 N 4.65 2.88 -0.28 4.11 1.02 -1.26 -4.75 120.64 127.01 2cqo n GLU 10 Ca -0.07 -1.88 -0.03 0.00 -0.02 0.00 0.00 57.16 55.16 2cqo n GLU 10 Cb 0.43 -1.19 0.03 0.00 -0.02 0.00 0.00 31.44 30.69 2cqo n GLU 10 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2cqo h ASN 11 N 1.13 -1.24 -4.21 1.62 -0.73 -2.01 -3.41 115.58 106.74 2cqo h ASN 11 Ca 0.00 0.26 -0.54 0.00 1.87 0.00 0.00 56.30 57.89 2cqo h ASN 11 Cb 0.68 0.64 0.18 0.00 0.27 0.00 0.00 38.32 40.09 2cqo h ASN 11 CO 0.01 -0.30 0.34 -0.76 -0.37 0.00 0.00 177.43 176.35 2cqo s LEU 12 N -10.82 3.12 0.00 0.34 1.43 -1.26 -4.76 118.68 106.73 2cqo s LEU 12 Ca -0.14 2.37 -0.16 0.00 -1.03 0.00 0.00 54.13 55.17 2cqo s LEU 12 Cb 0.18 -4.59 0.24 0.00 0.03 0.00 0.00 46.19 42.05 2cqo s LEU 12 CO 0.71 -2.72 0.85 -0.81 0.23 0.00 0.00 176.35 174.60 2cqo n PRO 13 N -3.36 -2.68 -2.42 1.29 -0.04 -1.26 -5.06 135.00 121.46 2cqo n PRO 13 Ca 0.14 -1.36 -0.24 0.00 -0.04 0.00 0.00 63.50 62.00 2cqo n PRO 13 Cb 0.50 -1.27 0.08 0.00 -0.04 0.00 0.00 33.50 32.77 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 3.45 0.39 0.55 0.00 -1.26 -5.02 121.76 116.87 2cqo s ALA 14 Ca 0.55 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 2cqo s ALA 14 Cb -0.05 -2.29 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 2cqo s ALA 14 CO 0.42 -1.29 1.27 -1.17 0.00 0.00 0.00 175.76 174.99 2cqo s LEU 15 N -5.14 4.24 -1.51 0.00 2.96 -1.26 -2.61 118.68 115.36 2cqo s LEU 15 Ca 0.62 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.12 2cqo s LEU 15 Cb -0.08 -3.90 0.00 0.00 0.50 0.00 0.00 46.19 42.71 2cqo s LEU 15 CO 0.44 -0.76 0.00 -1.22 -1.32 0.00 0.00 176.35 173.48 2cqo n TYR 16 N 0.21 -0.52 -3.19 5.38 4.01 -0.70 -4.97 117.16 117.37 2cqo n TYR 16 Ca 0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.38 2cqo n TYR 16 Cb 0.44 -3.17 -0.06 0.00 -0.31 0.00 0.00 39.34 36.24 2cqo n TYR 16 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2cqo s THR 17 N -2.75 4.84 -0.20 -0.72 2.01 -1.07 -4.74 115.64 113.01 2cqo s THR 17 Ca 0.00 1.29 -0.08 0.00 0.31 0.00 0.00 61.69 63.21 2cqo s THR 17 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2cqo s THR 17 CO 0.00 0.44 0.07 -0.63 -0.69 0.00 0.00 174.62 173.82 2cqo s ILE 18 N -0.38 4.78 0.10 1.82 1.01 -1.26 -1.80 121.20 125.46 2cqo s ILE 18 Ca 0.31 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2cqo s ILE 18 Cb -0.19 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2cqo s ILE 18 CO 0.18 0.43 0.32 0.72 0.00 0.00 0.00 174.94 176.59 2cqo s PHE 19 N 0.65 -0.09 -0.22 3.97 -0.12 -0.86 -5.01 117.98 116.31 2cqo s PHE 19 Ca 0.04 -0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 56.53 2cqo s PHE 19 Cb -0.13 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 2cqo s PHE 19 CO 0.01 -0.62 0.38 -1.14 -0.05 0.00 0.00 175.22 173.81 2cqo s GLN 20 N -3.61 4.12 0.23 1.99 0.74 -1.26 -1.69 119.66 120.17 2cqo s GLN 20 Ca 0.02 0.14 0.05 0.00 0.05 0.00 0.00 55.36 55.62 2cqo s GLN 20 Cb 0.02 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 2cqo s GLN 20 CO -0.10 -0.11 -0.04 0.20 -0.55 0.00 0.00 175.29 174.68 2cqo s GLY 21 N 1.23 1.52 -0.04 2.59 0.00 -0.44 -4.27 107.32 107.92 2cqo s GLY 21 Ca 0.17 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 43.17 2cqo s GLY 21 CO 0.08 -1.70 -0.09 1.85 0.00 0.00 0.00 173.10 173.25 2cqo s GLU 22 N -3.79 2.62 0.19 2.90 2.12 -1.18 -1.06 118.70 120.50 2cqo s GLU 22 Ca 0.26 -0.64 -0.31 0.00 0.36 0.00 0.00 54.97 54.64 2cqo s GLU 22 Cb 0.04 -2.51 -0.10 0.00 0.26 0.00 0.00 34.13 31.82 2cqo s GLU 22 CO 0.08 0.64 1.49 0.08 -0.54 0.00 0.00 175.26 177.00 2cqo s VAL 23 N -0.85 2.76 -0.00 3.70 1.01 -0.83 -0.73 120.40 125.45 2cqo s VAL 23 Ca 0.14 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2cqo s VAL 23 Cb -0.11 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 2cqo s VAL 23 CO 0.03 0.06 0.01 0.00 0.00 0.00 0.00 175.10 175.20 2cqo n ALA 24 N 3.32 2.01 -3.21 5.51 0.00 -0.53 -2.75 120.51 124.86 2cqo n ALA 24 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2cqo n ALA 24 Cb 0.40 0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.03 0.33 -0.13 0.00 1.75 -1.24 -4.95 119.30 113.02 2cqo s MET 25 Ca -0.00 0.41 0.02 0.00 -1.25 0.00 0.00 55.69 54.87 2cqo s MET 25 Cb 0.00 0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.83 2cqo s MET 25 CO 0.02 -0.05 -0.18 0.08 -0.65 0.00 0.00 175.02 174.24 2cqo s VAL 26 N 0.23 1.79 0.18 10.11 1.01 -1.26 -0.26 120.40 132.20 2cqo s VAL 26 Ca -0.01 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2cqo s VAL 26 Cb -0.03 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2cqo s VAL 26 CO -0.00 0.50 -0.10 0.42 0.00 0.00 0.00 175.10 175.92 2cqo s THR 27 N 0.99 1.33 -1.71 3.92 -4.23 0.16 -5.00 115.64 111.09 2cqo s THR 27 Ca -0.05 -2.10 0.18 0.00 -1.18 0.00 0.00 61.69 58.54 2cqo s THR 27 Cb -0.15 -1.99 0.40 0.00 1.34 0.00 0.00 72.50 72.10 2cqo s THR 27 CO -0.04 -0.63 1.49 0.47 -0.54 0.00 0.00 174.62 175.37 2cqo n ASP 28 N -0.29 0.00 -0.01 3.99 8.00 -1.26 -1.94 116.55 125.04 2cqo n ASP 28 Ca -0.09 -0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.17 2cqo n ASP 28 Cb 0.61 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 2cqo n ASP 28 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqo n TYR 29 N -1.15 0.00 -0.42 1.24 0.18 -1.26 -4.74 117.16 111.01 2cqo n TYR 29 Ca 0.11 -0.54 0.00 0.00 1.88 0.00 0.00 57.90 59.35 2cqo n TYR 29 Cb 0.10 -0.06 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 -0.57 0.54 3.00 -7.48 0.00 -0.82 -2.50 105.19 97.36 2cqo n GLY 30 Ca 0.01 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.05 0.13 -0.06 4.61 0.00 -0.76 0.37 121.76 124.99 2cqo s ALA 31 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.17 2cqo s ALA 31 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 2cqo s ALA 31 CO 0.00 -0.19 0.43 -0.06 0.00 0.00 0.00 175.76 175.93 2cqo s PHE 32 N -1.76 3.62 -0.16 0.00 0.40 0.64 -0.46 117.98 120.24 2cqo s PHE 32 Ca -0.13 0.91 0.01 0.00 -0.60 0.00 0.00 56.93 57.12 2cqo s PHE 32 Cb -0.08 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.06 2cqo s PHE 32 CO -0.02 0.41 -0.18 0.42 0.70 0.00 0.00 175.22 176.55 2cqo s ILE 33 N -0.24 2.35 0.12 0.64 -1.09 -0.46 -1.46 121.20 121.08 2cqo s ILE 33 Ca 0.24 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 2cqo s ILE 33 Cb -0.16 -1.98 -0.07 0.00 -1.58 0.00 0.00 42.46 38.67 2cqo s ILE 33 CO 0.11 0.53 1.14 -0.54 -1.23 0.00 0.00 174.94 174.95 2cqo s LYS 34 N 1.02 4.52 -0.07 2.79 1.02 0.09 -2.78 119.74 126.33 2cqo s LYS 34 Ca -0.02 1.74 -0.20 0.00 0.02 0.00 0.00 55.97 57.51 2cqo s LYS 34 Cb -0.15 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2cqo s LYS 34 CO -0.05 -0.08 0.55 0.42 -0.92 0.00 0.00 175.35 175.28 2cqo s ILE 35 N 0.34 5.07 0.08 2.17 1.01 -1.26 -3.08 121.20 125.53 2cqo s ILE 35 Ca 0.53 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 62.01 2cqo s ILE 35 Cb -0.29 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 2cqo s ILE 35 CO 0.33 0.35 1.39 -2.16 0.00 0.00 0.00 174.94 174.84 2cqo s PRO 36 N 0.34 4.31 0.00 2.79 0.04 -1.26 -3.18 135.00 138.04 2cqo s PRO 36 Ca 0.30 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2cqo s PRO 36 Cb -0.17 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2cqo s PRO 36 CO 0.14 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2cqo n GLY 37 N 3.54 1.67 3.30 0.56 0.00 -1.26 -4.96 105.19 108.02 2cqo n GLY 37 Ca 0.12 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.64 0.15 -2.19 0.00 3.00 -1.26 -4.84 116.66 107.89 2cqo n ARG 39 Ca 0.14 0.06 -0.33 0.00 -0.00 0.00 0.00 57.85 57.71 2cqo n ARG 39 Cb 0.50 -0.86 -0.00 0.00 0.00 0.00 0.00 32.46 32.10 2cqo n ARG 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2cqo s LYS 40 N -2.13 3.42 0.37 -0.14 2.47 -1.26 -4.89 119.74 117.58 2cqo s LYS 40 Ca -0.09 1.30 0.08 0.00 -1.56 0.00 0.00 55.97 55.70 2cqo s LYS 40 Cb 0.03 -2.04 -0.06 0.00 -1.46 0.00 0.00 37.83 34.30 2cqo s LYS 40 CO 0.13 -0.74 0.05 -0.65 0.16 0.00 0.00 175.35 174.30 2cqo s GLN 41 N -3.76 2.09 0.18 4.03 1.11 -1.26 -4.22 119.66 117.82 2cqo s GLN 41 Ca 0.66 -1.83 0.10 0.00 0.01 0.00 0.00 55.36 54.29 2cqo s GLN 41 Cb -0.17 -1.89 -0.04 0.00 -1.01 0.00 0.00 33.01 29.90 2cqo s GLN 41 CO 0.31 0.04 -0.22 0.20 0.01 0.00 0.00 175.29 175.64 2cqo s GLY 42 N -3.76 1.57 -0.13 3.09 0.00 -1.12 -4.71 107.32 102.27 2cqo s GLY 42 Ca 0.36 -1.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.45 2cqo s GLY 42 CO 0.20 -1.60 0.09 -2.27 0.00 0.00 0.00 173.10 169.52 2cqo s LEU 43 N -2.64 4.08 -0.40 0.66 2.96 -0.79 -1.35 118.68 121.19 2cqo s LEU 43 Ca 0.18 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 2cqo s LEU 43 Cb -0.07 -1.99 0.10 0.00 0.50 0.00 0.00 46.19 44.72 2cqo s LEU 43 CO 0.08 0.35 0.20 -0.69 -1.32 0.00 0.00 176.35 174.98 2cqo s VAL 44 N -0.68 3.55 0.70 1.68 1.01 0.39 -1.57 120.40 125.48 2cqo s VAL 44 Ca 0.12 -1.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.15 2cqo s VAL 44 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2cqo s VAL 44 CO 0.02 -0.58 0.61 1.57 0.00 0.00 0.00 175.10 176.73 2cqo n HIS 45 N 4.70 -0.52 0.09 5.22 -0.00 -1.26 -1.83 115.22 121.63 2cqo n HIS 45 Ca -0.06 0.37 0.07 0.00 0.46 0.00 0.00 57.72 58.56 2cqo n HIS 45 Cb 0.42 -1.95 0.53 0.00 -0.12 0.00 0.00 29.99 28.87 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 -0.27 0.29 0.00 1.57 0.11 -1.84 0.10 114.38 114.34 2cqo h ARG 46 Ca -0.46 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 59.56 2cqo h ARG 46 Cb 1.35 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 2cqo h ARG 46 CO 0.44 0.19 -0.21 1.79 0.10 0.00 0.00 179.97 182.28 2cqo h THR 47 N 0.30 1.09 0.02 0.08 1.35 -1.89 -2.82 112.91 111.04 2cqo h THR 47 Ca 0.11 -0.74 -0.31 0.00 -0.55 0.00 0.00 66.41 64.92 2cqo h THR 47 Cb 0.07 1.40 -0.05 0.00 -1.73 0.00 0.00 68.15 67.85 2cqo h THR 47 CO -0.02 0.21 -1.81 1.41 -0.25 0.00 0.00 175.52 175.05 2cqo n HIS 48 N -4.20 0.98 -0.47 4.73 8.25 -0.35 -4.10 115.22 120.06 2cqo n HIS 48 Ca -0.02 0.32 0.40 0.00 -0.26 0.00 0.00 57.72 58.15 2cqo n HIS 48 Cb 0.27 -1.17 0.72 0.00 1.12 0.00 0.00 29.99 30.93 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 0.01 0.07 -2.24 -0.41 2.07 -0.77 -0.12 114.93 113.54 2cqo h MET 49 Ca -0.33 -0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.23 2cqo h MET 49 Cb 2.03 -0.02 -0.20 0.00 -1.87 0.00 0.00 31.60 31.54 2cqo h MET 49 CO 0.08 0.05 0.06 0.45 1.07 0.00 0.00 176.91 178.61 2cqo s SER 50 N -4.61 -0.58 0.01 1.22 0.15 -1.24 -4.54 113.70 104.11 2cqo s SER 50 Ca -0.06 0.78 -0.13 0.00 0.70 0.00 0.00 55.95 57.24 2cqo s SER 50 Cb 0.26 0.73 -0.07 0.00 -1.71 0.00 0.00 66.02 65.23 2cqo s SER 50 CO 0.84 -0.46 1.05 0.28 1.20 0.00 0.00 173.24 176.14 2cqo h SER 51 N 3.81 -0.41 -1.55 5.45 0.02 -1.80 -3.45 113.55 115.62 2cqo h SER 51 Ca -0.28 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.55 2cqo h SER 51 Cb 1.15 0.11 0.08 0.00 0.14 0.00 0.00 62.40 63.88 2cqo h SER 51 CO 0.30 -0.26 -0.06 0.00 -1.14 0.00 0.00 176.83 175.67 2cqo s ARG 53 N -3.15 -1.04 -0.07 0.00 1.81 -1.26 -5.05 118.95 110.20 2cqo s ARG 53 Ca 0.24 0.87 -0.04 0.00 -1.72 0.00 0.00 55.73 55.09 2cqo s ARG 53 Cb -0.04 -1.54 0.03 0.00 -0.45 0.00 0.00 34.95 32.95 2cqo s ARG 53 CO 0.20 -3.82 0.16 0.08 -0.68 0.00 0.00 175.30 171.25 2cqo s VAL 54 N -2.43 -0.03 -0.02 3.52 1.01 -1.26 -4.97 120.40 116.22 2cqo s VAL 54 Ca 0.69 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.78 2cqo s VAL 54 Cb -0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2cqo s VAL 54 CO 0.65 0.05 -0.01 -0.67 0.00 0.00 0.00 175.10 175.12 2cqo n ASP 55 N 3.78 4.15 -3.38 3.32 2.03 -1.26 -5.00 116.55 120.19 2cqo n ASP 55 Ca -0.21 -0.01 -0.13 0.00 0.52 0.00 0.00 54.79 54.96 2cqo n ASP 55 Cb 0.54 0.19 -0.09 0.00 -0.72 0.00 0.00 41.12 41.04 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 -2.04 0.32 0.51 -0.67 1.02 -1.26 -5.01 119.74 112.62 2cqo s LYS 56 Ca -0.02 0.18 0.33 0.00 0.02 0.00 0.00 55.97 56.48 2cqo s LYS 56 Cb 0.01 -0.64 1.35 0.00 -0.52 0.00 0.00 37.83 38.02 2cqo s LYS 56 CO 0.05 -0.84 1.96 -1.00 -0.92 0.00 0.00 175.35 174.60 2cqo h PRO 57 N 8.23 0.00 0.00 -1.68 0.13 -1.85 -2.59 132.00 134.24 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 0.00 -1.13 -0.23 0.00 0.00 178.00 176.93 2cqo n SER 58 N -2.95 0.00 -0.26 1.44 3.41 -1.26 -2.18 113.62 111.81 2cqo n SER 58 Ca 0.01 -0.27 0.06 0.00 -0.26 0.00 0.00 58.87 58.41 2cqo n SER 58 Cb 0.28 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 2cqo n SER 58 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2cqo n GLU 59 N -1.18 2.01 -0.10 4.33 1.02 -0.98 -4.58 120.64 121.16 2cqo n GLU 59 Ca 0.13 -0.62 -0.24 0.00 -0.02 0.00 0.00 57.16 56.41 2cqo n GLU 59 Cb 0.14 -1.17 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 2cqo n GLU 59 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2cqo n ILE 60 N -0.33 1.57 -4.48 -3.67 5.41 -0.93 -5.02 119.36 111.91 2cqo n ILE 60 Ca 0.05 -0.29 -0.23 0.00 1.00 0.00 0.00 62.75 63.28 2cqo n ILE 60 Cb 0.26 -1.89 -0.11 0.00 -0.71 0.00 0.00 39.64 37.20 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 -2.45 1.37 -0.24 1.39 -7.23 -1.18 -5.16 120.40 106.89 2cqo s VAL 61 Ca -0.32 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.66 2cqo s VAL 61 Cb 0.09 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 34.27 2cqo s VAL 61 CO 0.59 -0.01 0.63 -1.81 -0.31 0.00 0.00 175.10 174.19 2cqo s ASP 62 N -3.53 -0.73 -0.44 4.85 1.11 -1.26 -4.71 116.67 111.96 2cqo s ASP 62 Ca 0.36 1.32 -0.41 0.00 0.18 0.00 0.00 52.55 54.00 2cqo s ASP 62 Cb 0.09 1.28 -0.17 0.00 1.07 0.00 0.00 42.92 45.18 2cqo s ASP 62 CO 0.16 -0.22 1.40 0.52 1.18 0.00 0.00 175.17 178.21 2cqo n VAL 63 N 3.34 0.00 0.00 -1.27 0.31 -1.26 -0.97 118.33 118.48 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 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 3.55 1.09 3.70 2.92 0.00 -1.11 -5.01 105.19 110.33 2cqo n GLY 64 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.06 7.25 -0.18 1.61 1.01 -0.15 -4.79 116.67 120.37 2cqo s ASP 65 Ca 0.00 1.64 -0.09 0.00 0.71 0.00 0.00 52.55 54.81 2cqo s ASP 65 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2cqo s ASP 65 CO 0.00 -0.40 0.13 -0.75 0.21 0.00 0.00 175.17 174.35 2cqo s LYS 66 N 1.65 4.00 0.21 8.23 2.20 -1.26 -1.97 119.74 132.78 2cqo s LYS 66 Ca 0.51 -0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.89 2cqo s LYS 66 Cb -0.21 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 2cqo s LYS 66 CO 0.22 0.42 0.17 0.14 -0.36 0.00 0.00 175.35 175.94 2cqo s VAL 67 N 0.02 0.00 0.04 4.02 -7.23 -0.22 -4.97 120.40 112.06 2cqo s VAL 67 Ca 0.09 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.18 2cqo s VAL 67 Cb -0.11 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 2cqo s VAL 67 CO -0.00 0.00 0.45 0.26 -0.31 0.00 0.00 175.10 175.50 2cqo s TRP 68 N -4.14 3.71 0.11 2.82 0.52 -1.26 -1.32 118.94 119.38 2cqo s TRP 68 Ca 0.37 1.03 0.00 0.00 0.02 0.00 0.00 56.10 57.52 2cqo s TRP 68 Cb 0.06 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2cqo s TRP 68 CO 0.12 0.59 -0.00 0.14 0.02 0.00 0.00 176.95 177.81 2cqo s VAL 69 N -1.18 0.38 -0.06 4.03 -7.23 -0.68 -4.68 120.40 110.99 2cqo s VAL 69 Ca 0.28 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2cqo s VAL 69 Cb -0.17 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.96 2cqo s VAL 69 CO 0.16 -0.70 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.47 2cqo s LYS 70 N -3.94 0.72 0.20 4.82 2.20 -0.34 -2.02 119.74 121.39 2cqo s LYS 70 Ca 0.17 -0.01 -0.32 0.00 -0.36 0.00 0.00 55.97 55.45 2cqo s LYS 70 Cb 0.07 -0.89 -0.12 0.00 -1.51 0.00 0.00 37.83 35.38 2cqo s LYS 70 CO -0.02 -0.18 1.73 -1.17 -0.36 0.00 0.00 175.35 175.34 2cqo s LEU 71 N 1.39 4.37 -0.04 5.43 2.96 -0.74 -0.94 118.68 131.10 2cqo s LEU 71 Ca -0.04 2.87 0.06 0.00 -0.22 0.00 0.00 54.13 56.80 2cqo s LEU 71 Cb -0.13 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 2cqo s LEU 71 CO -0.03 -0.98 0.06 2.30 -1.32 0.00 0.00 176.35 176.39 2cqo n ILE 72 N 4.03 0.29 -3.15 6.68 -5.35 -0.94 -1.72 119.36 119.20 2cqo n ILE 72 Ca 0.16 -0.23 0.04 0.00 -0.27 0.00 0.00 62.75 62.46 2cqo n ILE 72 Cb 0.35 -0.45 -0.01 0.00 -1.74 0.00 0.00 39.64 37.79 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 -3.44 -0.87 -0.06 3.28 0.00 -1.20 -4.89 107.32 100.13 2cqo s GLY 73 Ca -0.03 2.00 0.05 0.00 0.00 0.00 0.00 44.72 46.73 2cqo s GLY 73 CO 0.26 3.53 -0.20 1.09 0.00 0.00 0.00 173.10 177.78 2cqo s ARG 74 N 2.88 2.63 -0.12 2.90 1.70 -1.26 -1.26 118.95 126.41 2cqo s ARG 74 Ca 0.15 -0.82 -0.05 0.00 -0.47 0.00 0.00 55.73 54.54 2cqo s ARG 74 Cb -0.13 -2.28 0.06 0.00 -0.57 0.00 0.00 34.95 32.02 2cqo s ARG 74 CO -0.19 0.44 0.27 -1.21 -1.08 0.00 0.00 175.30 173.52 2cqo s GLU 75 N -0.28 0.18 -0.25 3.89 0.41 0.14 -4.94 118.70 117.85 2cqo s GLU 75 Ca 0.01 0.68 -0.01 0.00 -0.41 0.00 0.00 54.97 55.24 2cqo s GLU 75 Cb -0.13 -0.05 0.03 0.00 -1.78 0.00 0.00 34.13 32.20 2cqo s GLU 75 CO 0.03 -0.24 -0.07 1.41 -0.49 0.00 0.00 175.26 175.90 2cqo s MET 76 N 1.98 2.70 0.02 1.61 -2.45 -1.26 -0.25 119.30 121.64 2cqo s MET 76 Ca -0.03 -1.06 0.07 0.00 -1.25 0.00 0.00 55.69 53.42 2cqo s MET 76 Cb -0.11 -2.96 -0.03 0.00 1.25 0.00 0.00 34.83 32.98 2cqo s MET 76 CO -0.09 -0.44 -0.18 0.21 1.05 0.00 0.00 175.02 175.57 2cqo s LYS 77 N 1.28 2.15 0.24 4.11 2.20 0.16 -4.99 119.74 124.89 2cqo s LYS 77 Ca -0.02 -0.93 0.16 0.00 -0.36 0.00 0.00 55.97 54.83 2cqo s LYS 77 Cb -0.17 -2.20 0.85 0.00 -1.51 0.00 0.00 37.83 34.80 2cqo s LYS 77 CO -0.05 0.56 1.46 -1.71 -0.36 0.00 0.00 175.35 175.25 2cqo n ASN 78 N 1.80 0.40 -0.08 1.43 2.85 -1.26 -0.99 115.26 119.42 2cqo n ASN 78 Ca -0.16 0.67 -0.07 0.00 -0.11 0.00 0.00 54.58 54.91 2cqo n ASN 78 Cb 0.52 -0.72 -0.15 0.00 1.24 0.00 0.00 39.78 40.68 2cqo n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2cqo n ASP 79 N -2.05 0.50 -3.52 1.20 2.03 -1.26 -5.04 116.55 108.40 2cqo n ASP 79 Ca -0.01 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.21 2cqo n ASP 79 Cb 0.06 1.06 -0.03 0.00 -0.72 0.00 0.00 41.12 41.49 2cqo n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2cqo s ARG 80 N -2.55 0.76 -0.07 -0.67 0.52 -0.16 -5.17 118.95 111.62 2cqo s ARG 80 Ca -0.09 -0.16 0.03 0.00 -0.52 0.00 0.00 55.73 54.99 2cqo s ARG 80 Cb 0.06 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.89 2cqo s ARG 80 CO 0.76 -0.31 -0.17 0.42 0.02 0.00 0.00 175.30 176.02 2cqo s ILE 81 N -2.53 1.50 -0.09 1.52 1.01 -1.26 0.41 121.20 121.76 2cqo s ILE 81 Ca 0.03 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.00 2cqo s ILE 81 Cb -0.01 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.15 2cqo s ILE 81 CO -0.05 0.43 -0.18 -0.75 0.00 0.00 0.00 174.94 174.39 2cqo s LYS 82 N 0.45 2.37 -0.06 2.79 2.47 0.65 -4.99 119.74 123.42 2cqo s LYS 82 Ca -0.14 -0.64 0.01 0.00 -1.56 0.00 0.00 55.97 53.64 2cqo s LYS 82 Cb -0.16 -1.88 0.02 0.00 -1.46 0.00 0.00 37.83 34.35 2cqo s LYS 82 CO 0.05 0.07 -0.08 0.08 0.16 0.00 0.00 175.35 175.63 2cqo s VAL 83 N 0.60 0.85 -0.08 4.02 1.01 -1.26 -0.68 120.40 124.85 2cqo s VAL 83 Ca -0.15 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2cqo s VAL 83 Cb -0.17 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2cqo s VAL 83 CO 0.05 0.30 -0.24 -0.44 0.00 0.00 0.00 175.10 174.77 2cqo s SER 84 N 0.98 2.98 0.22 3.32 0.01 -0.39 -1.89 113.70 118.94 2cqo s SER 84 Ca -0.09 -0.52 0.09 0.00 1.31 0.00 0.00 55.95 56.74 2cqo s SER 84 Cb -0.15 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 2cqo s SER 84 CO 0.00 0.19 -0.17 -0.76 0.41 0.00 0.00 173.24 172.91 2cqo s LEU 85 N 0.14 2.54 0.15 2.44 1.43 -0.61 -2.21 118.68 122.57 2cqo s LEU 85 Ca -0.12 -0.99 0.10 0.00 -1.03 0.00 0.00 54.13 52.09 2cqo s LEU 85 Cb -0.16 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2cqo s LEU 85 CO 0.06 -0.07 -0.24 -0.55 0.23 0.00 0.00 176.35 175.79 2cqo s SER 86 N -3.25 3.12 0.00 2.29 0.15 -0.12 -4.31 113.70 111.57 2cqo s SER 86 Ca 0.24 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2cqo s SER 86 Cb -0.03 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 2cqo s SER 86 CO 0.10 0.11 0.00 0.23 1.20 0.00 0.00 173.24 174.87 2cqo n MET 87 N 0.65 1.98 0.21 5.44 2.81 -1.21 -1.20 117.12 125.80 2cqo n MET 87 Ca -0.16 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.83 2cqo n MET 87 Cb 0.55 -0.90 0.18 0.00 -0.71 0.00 0.00 33.22 32.34 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 -0.94 0.03 2.10 -1.25 -3.18 116.57 113.33 2cqo h LYS 88 Ca 0.00 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.21 2cqo h LYS 88 Cb 0.31 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.38 2cqo h LYS 88 CO 0.00 0.12 0.56 1.33 -2.00 0.00 0.00 179.45 179.46 2cqo n VAL 89 N -3.14 3.11 -3.70 0.07 0.24 -1.26 -4.84 118.33 108.81 2cqo n VAL 89 Ca 0.03 -1.82 -0.11 0.00 -2.04 0.00 0.00 64.34 60.41 2cqo n VAL 89 Cb 0.56 -0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 32.36 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 -3.17 -0.09 0.32 3.34 1.01 -1.20 -3.50 120.40 117.10 2cqo s VAL 90 Ca 0.56 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 2cqo s VAL 90 Cb 0.46 -0.58 -0.11 0.00 0.00 0.00 0.00 36.38 36.15 2cqo s VAL 90 CO 0.11 0.05 1.54 0.21 0.00 0.00 0.00 175.10 177.01 2cqo s ASN 91 N 1.51 6.39 -0.81 3.32 3.84 -1.18 -4.91 114.94 123.11 2cqo s ASN 91 Ca -0.09 2.96 -0.02 0.00 0.21 0.00 0.00 52.86 55.93 2cqo s ASN 91 Cb -0.09 -2.65 0.37 0.00 -0.55 0.00 0.00 41.25 38.33 2cqo s ASN 91 CO -0.12 -0.87 1.99 0.00 -2.79 0.00 0.00 177.10 175.30 2cqo n GLN 92 N 1.54 2.78 0.00 0.43 1.13 -1.26 -3.36 117.38 118.64 2cqo n GLN 92 Ca 0.05 -3.54 0.00 0.00 -1.94 0.00 0.00 57.00 51.57 2cqo n GLN 92 Cb 0.38 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.46 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 -0.59 0.24 0.01 1.08 0.00 -1.26 -4.97 105.19 99.70 2cqo n GLY 93 Ca 0.54 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.58 0.08 -1.75 2.61 -2.24 -1.26 -5.04 114.28 105.10 2cqo n THR 94 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2cqo n THR 94 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 2.63 0.63 3.77 3.38 0.00 -1.21 -5.05 105.19 109.34 2cqo n GLY 95 Ca -0.02 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2cqo n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cqo s LYS 96 N -3.63 4.22 0.18 1.61 2.20 -1.26 -4.84 119.74 118.21 2cqo s LYS 96 Ca 0.00 0.52 -0.33 0.00 -0.36 0.00 0.00 55.97 55.80 2cqo s LYS 96 Cb 0.00 -3.34 -0.13 0.00 -1.51 0.00 0.00 37.83 32.84 2cqo s LYS 96 CO 0.00 0.38 1.64 -3.47 -0.36 0.00 0.00 175.35 173.53 2cqo n ASP 97 N 2.83 3.46 -0.06 1.43 2.03 -1.26 -3.09 116.55 121.89 2cqo n ASP 97 Ca -0.09 1.07 -0.02 0.00 0.52 0.00 0.00 54.79 56.28 2cqo n ASP 97 Cb 0.52 -1.49 -0.15 0.00 -0.72 0.00 0.00 41.12 39.28 2cqo n ASP 97 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2cqo n LEU 98 N 3.63 0.00 -3.73 -2.67 4.77 -1.23 -4.69 117.00 113.08 2cqo n LEU 98 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.87 2cqo n LEU 98 Cb 0.31 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 2cqo n LEU 98 CO 0.64 0.28 0.01 -0.90 -1.33 0.00 0.00 177.39 176.09 2cqo n ASP 99 N -2.50 3.30 0.00 -1.43 5.75 -1.26 -4.90 116.55 115.51 2cqo n ASP 99 Ca -0.20 -3.30 0.08 0.00 -0.01 0.00 0.00 54.79 51.36 2cqo n ASP 99 Cb 0.88 -0.73 0.46 0.00 -1.03 0.00 0.00 41.12 40.71 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 1.55 0.48 -0.11 0.11 -0.04 -1.26 -2.66 135.00 133.07 2cqo n PRO 100 Ca 0.24 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2cqo n PRO 100 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 2cqo n PRO 100 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2cqo n ASN 101 N -1.01 2.04 -2.35 3.54 3.02 -1.26 -5.04 115.26 114.19 2cqo n ASN 101 Ca 0.12 -0.10 -0.09 0.00 -0.03 0.00 0.00 54.58 54.47 2cqo n ASN 101 Cb 0.06 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 2cqo n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2cqo n ASN 102 N -3.08 -2.18 -0.08 6.41 3.02 -1.09 -4.97 115.26 113.30 2cqo n ASN 102 Ca -0.38 -0.35 -0.09 0.00 -0.03 0.00 0.00 54.58 53.74 2cqo n ASN 102 Cb 0.94 -3.07 -0.11 0.00 -0.61 0.00 0.00 39.78 36.94 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 -2.71 1.04 0.08 2.41 0.31 -1.26 -4.47 118.33 113.73 2cqo n VAL 103 Ca -0.15 -0.58 -0.13 0.00 -0.01 0.00 0.00 64.34 63.46 2cqo n VAL 103 Cb 0.59 -0.74 -0.08 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.98 -0.30 2.52 5.03 -1.93 -1.65 117.51 122.16 2cqo h ILE 104 Ca -0.41 -0.57 0.09 0.00 -0.12 0.00 0.00 64.86 63.85 2cqo h ILE 104 Cb 1.86 1.33 -0.01 0.00 -3.03 0.00 0.00 36.82 36.97 2cqo h ILE 104 CO 0.00 0.13 0.46 0.16 -0.68 0.00 0.00 178.15 178.22 2cqo h ILE 105 N -0.47 0.23 0.00 -0.67 -0.00 -1.99 -2.23 117.51 112.39 2cqo h ILE 105 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.82 2cqo h ILE 105 Cb 0.37 0.61 -0.00 0.00 -0.00 0.00 0.00 36.82 37.79 2cqo h ILE 105 CO 0.03 0.00 -0.26 -0.08 -0.00 0.00 0.00 178.15 177.84 2cqo h GLU 106 N 0.00 0.00 -6.00 0.16 4.81 -1.70 -3.46 114.58 108.39 2cqo h GLU 106 Ca 0.14 0.00 -0.77 0.00 -0.13 0.00 0.00 59.36 58.60 2cqo h GLU 106 Cb 1.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 2cqo h GLU 106 CO -0.00 0.19 1.27 0.45 -0.73 0.00 0.00 179.01 180.19 2cqo n SER 107 N -4.68 0.93 0.00 1.04 2.88 -0.65 -4.14 113.62 109.00 2cqo n SER 107 Ca -0.06 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2cqo n SER 107 Cb 0.19 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2cqo n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cqo n GLY 108 N 7.09 0.84 3.72 0.46 0.00 -1.26 -4.97 105.19 111.07 2cqo n GLY 108 Ca 0.51 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2cqo n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqo s PRO 109 N -0.23 1.33 -0.19 1.61 0.04 -1.26 -5.04 135.00 131.26 2cqo s PRO 109 Ca 0.00 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 2cqo s PRO 109 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2cqo s PRO 109 CO 0.00 -2.20 -0.00 -1.12 0.04 0.00 0.00 177.00 173.72 2cqo s SER 110 N -3.41 4.86 0.55 6.66 0.01 -1.26 -5.08 113.70 116.02 2cqo s SER 110 Ca 0.63 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 57.51 2cqo s SER 110 Cb -0.18 -1.83 -0.07 0.00 0.21 0.00 0.00 66.02 64.15 2cqo s SER 110 CO 0.57 0.08 0.87 -1.20 0.41 0.00 0.00 173.24 173.96 2cqo n SER 111 N 4.14 0.44 0.00 2.44 7.64 -1.26 -5.21 113.62 121.81 2cqo n SER 111 Ca -0.17 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2cqo n SER 111 Cb 0.52 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2cqo n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64