#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqv s SER 2 N 0.00 0.02 -0.23 1.61 0.01 -1.26 -5.13 113.70 108.72 2cqv s SER 2 Ca 0.00 0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.82 2cqv s SER 2 Cb 0.00 1.21 0.06 0.00 0.21 0.00 0.00 66.02 67.50 2cqv s SER 2 CO 0.00 -0.27 -0.06 -0.55 0.41 0.00 0.00 173.24 172.77 2cqv s SER 3 N 2.57 3.82 0.00 2.44 0.15 -1.26 -5.03 113.70 116.39 2cqv s SER 3 Ca 0.07 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.56 2cqv s SER 3 Cb -0.14 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2cqv s SER 3 CO -0.14 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2cqv n GLY 4 N 4.67 -0.33 2.84 9.45 0.00 -1.26 -4.85 105.19 115.71 2cqv n GLY 4 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2cqv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqv n SER 5 N -1.16 6.05 -3.77 1.61 7.64 -1.26 -4.67 113.62 118.05 2cqv n SER 5 Ca 0.00 -3.48 -0.29 0.00 1.01 0.00 0.00 58.87 56.11 2cqv n SER 5 Cb 0.00 -1.12 -0.12 0.00 -1.01 0.00 0.00 64.21 61.96 2cqv n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqv s SER 6 N -1.93 3.85 0.57 6.43 0.01 -1.26 -5.00 113.70 116.37 2cqv s SER 6 Ca 0.35 -3.24 0.00 0.00 1.31 0.00 0.00 55.95 54.37 2cqv s SER 6 Cb 0.10 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2cqv s SER 6 CO 0.04 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2cqv n GLY 7 N 2.74 -3.57 3.77 3.44 0.00 -1.26 -4.85 105.19 105.46 2cqv n GLY 7 Ca 0.16 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2cqv n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqv s PRO 8 N -5.03 3.77 -0.06 1.61 0.04 -1.26 -4.27 135.00 129.79 2cqv s PRO 8 Ca 0.00 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2cqv s PRO 8 Cb 0.00 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.15 2cqv s PRO 8 CO 0.00 -0.55 0.28 1.14 0.04 0.00 0.00 177.00 177.91 2cqv s GLN 9 N -2.69 0.49 -0.52 4.56 -2.07 -1.26 -4.17 119.66 114.00 2cqv s GLN 9 Ca 0.63 0.08 -0.14 0.00 -1.82 0.00 0.00 55.36 54.11 2cqv s GLN 9 Cb -0.29 0.22 0.12 0.00 -1.09 0.00 0.00 33.01 31.98 2cqv s GLN 9 CO 0.35 -0.10 0.45 0.42 -1.32 0.00 0.00 175.29 175.09 2cqv s ILE 10 N -0.61 4.93 -0.23 3.63 1.01 -1.26 -2.56 121.20 126.11 2cqv s ILE 10 Ca -0.07 -1.56 0.18 0.00 0.00 0.00 0.00 60.65 59.19 2cqv s ILE 10 Cb -0.04 -4.17 0.11 0.00 0.01 0.00 0.00 42.46 38.36 2cqv s ILE 10 CO 0.02 -0.83 1.39 0.16 0.00 0.00 0.00 174.94 175.68 2cqv h ILE 11 N 5.95 0.54 -3.19 2.92 -2.65 -1.92 -3.44 117.51 115.73 2cqv h ILE 11 Ca -0.27 -1.80 -0.62 0.00 1.03 0.00 0.00 64.86 63.20 2cqv h ILE 11 Cb 1.09 2.21 -0.35 0.00 -2.05 0.00 0.00 36.82 37.72 2cqv h ILE 11 CO 0.98 0.31 -0.84 -1.10 0.03 0.00 0.00 178.15 177.53 2cqv s GLN 12 N -3.05 2.48 -0.27 0.16 -0.21 -1.25 -5.02 119.66 112.50 2cqv s GLN 12 Ca 0.04 -0.65 -0.25 0.00 0.02 0.00 0.00 55.36 54.52 2cqv s GLN 12 Cb 0.07 -2.12 0.08 0.00 1.00 0.00 0.00 33.01 32.04 2cqv s GLN 12 CO 0.74 -0.11 0.77 0.12 -2.12 0.00 0.00 175.29 174.68 2cqv s PHE 13 N 1.11 -0.75 0.01 0.91 5.36 -1.26 -1.53 117.98 121.84 2cqv s PHE 13 Ca -0.03 1.81 -0.30 0.00 -0.96 0.00 0.00 56.93 57.45 2cqv s PHE 13 Cb -0.14 0.30 -0.06 0.00 -0.34 0.00 0.00 43.02 42.77 2cqv s PHE 13 CO -0.05 -0.36 1.44 -1.25 -1.46 0.00 0.00 175.22 173.54 2cqv s PRO 14 N 0.40 4.27 0.73 10.12 0.04 -1.26 -5.02 135.00 144.28 2cqv s PRO 14 Ca 0.00 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 2cqv s PRO 14 Cb -0.05 -3.56 0.09 0.00 0.04 0.00 0.00 34.50 31.01 2cqv s PRO 14 CO -0.01 -0.59 1.04 -1.21 0.04 0.00 0.00 177.00 176.27 2cqv s GLU 15 N 2.38 1.94 -0.42 4.56 0.41 -1.26 -4.68 118.70 121.63 2cqv s GLU 15 Ca 0.65 -0.42 -0.37 0.00 -0.41 0.00 0.00 54.97 54.42 2cqv s GLU 15 Cb -0.33 -2.17 -0.16 0.00 -1.78 0.00 0.00 34.13 29.70 2cqv s GLU 15 CO 0.27 -1.39 1.63 -3.47 -0.49 0.00 0.00 175.26 171.81 2cqv n ASP 16 N -2.99 0.75 -4.01 -0.19 2.03 -1.26 -4.79 116.55 106.09 2cqv n ASP 16 Ca 0.10 0.70 -0.25 0.00 0.52 0.00 0.00 54.79 55.86 2cqv n ASP 16 Cb 0.60 -0.74 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 2cqv n ASP 16 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cqv s GLN 17 N 4.17 1.93 0.35 -0.67 -2.07 -0.91 -4.98 119.66 117.49 2cqv s GLN 17 Ca 0.96 -2.17 0.07 0.00 -1.82 0.00 0.00 55.36 52.39 2cqv s GLN 17 Cb -1.25 -0.48 -0.07 0.00 -1.09 0.00 0.00 33.01 30.12 2cqv s GLN 17 CO 0.59 -0.52 -0.01 0.21 -1.32 0.00 0.00 175.29 174.24 2cqv s LYS 18 N -3.67 1.77 -0.15 9.60 2.20 -1.26 -2.50 119.74 125.74 2cqv s LYS 18 Ca 0.25 -1.96 -0.28 0.00 -0.36 0.00 0.00 55.97 53.61 2cqv s LYS 18 Cb 0.02 -1.36 0.07 0.00 -1.51 0.00 0.00 37.83 35.06 2cqv s LYS 18 CO 0.16 -0.03 0.70 0.54 -0.36 0.00 0.00 175.35 176.36 2cqv s VAL 19 N -2.90 0.00 -0.19 4.02 0.11 -0.12 -4.88 120.40 116.43 2cqv s VAL 19 Ca 0.34 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 2cqv s VAL 19 Cb 0.07 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2cqv s VAL 19 CO 0.16 0.00 0.98 -0.13 -3.33 0.00 0.00 175.10 172.78 2cqv s ARG 20 N -0.51 4.29 -0.63 1.54 1.81 -1.26 0.00 118.95 124.20 2cqv s ARG 20 Ca -0.06 1.28 -0.37 0.00 -1.72 0.00 0.00 55.73 54.86 2cqv s ARG 20 Cb -0.02 -3.61 -0.18 0.00 -0.45 0.00 0.00 34.95 30.69 2cqv s ARG 20 CO 0.06 -0.50 2.35 0.00 -0.68 0.00 0.00 175.30 176.53 2cqv n ALA 21 N 5.83 0.46 0.00 2.13 0.00 0.13 0.53 120.51 129.60 2cqv n ALA 21 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2cqv n ALA 21 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2cqv n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqv n GLY 22 N 6.88 1.00 3.97 0.00 0.00 0.73 -4.83 105.19 112.94 2cqv n GLY 22 Ca 0.54 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.32 2cqv n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqv s GLU 23 N -0.36 1.83 -0.29 1.61 0.41 0.19 -4.22 118.70 117.86 2cqv s GLU 23 Ca 0.00 -0.81 -0.04 0.00 -0.41 0.00 0.00 54.97 53.71 2cqv s GLU 23 Cb 0.00 -2.28 0.03 0.00 -1.78 0.00 0.00 34.13 30.10 2cqv s GLU 23 CO 0.00 -1.37 0.03 -1.12 -0.49 0.00 0.00 175.26 172.31 2cqv s SER 24 N -4.65 4.89 0.52 -0.19 0.01 -1.26 -2.59 113.70 110.42 2cqv s SER 24 Ca 0.64 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 57.04 2cqv s SER 24 Cb -0.07 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.40 2cqv s SER 24 CO 0.44 -0.21 0.43 0.54 0.41 0.00 0.00 173.24 174.85 2cqv s VAL 25 N 1.39 1.92 -0.30 3.43 0.11 -1.02 -4.95 120.40 120.98 2cqv s VAL 25 Ca -0.00 -1.43 -0.07 0.00 -2.93 0.00 0.00 61.98 57.55 2cqv s VAL 25 Cb -0.18 -2.34 0.19 0.00 -1.53 0.00 0.00 36.38 32.51 2cqv s VAL 25 CO -0.00 0.00 0.89 -1.83 -3.33 0.00 0.00 175.10 170.83 2cqv s GLU 26 N -4.27 0.31 -0.32 1.54 -1.05 -1.25 -2.05 118.70 111.60 2cqv s GLU 26 Ca 0.40 0.43 -0.15 0.00 -0.15 0.00 0.00 54.97 55.50 2cqv s GLU 26 Cb -0.02 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 2cqv s GLU 26 CO 0.24 -0.45 0.35 -0.51 0.95 0.00 0.00 175.26 175.84 2cqv s LEU 27 N 2.92 4.28 -0.07 1.83 1.43 -0.59 -4.82 118.68 123.65 2cqv s LEU 27 Ca 0.13 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2cqv s LEU 27 Cb -0.08 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2cqv s LEU 27 CO -0.19 -0.27 -0.20 0.12 0.23 0.00 0.00 176.35 176.04 2cqv s PHE 28 N 2.01 2.58 -0.34 0.29 5.36 -1.26 -0.57 117.98 126.05 2cqv s PHE 28 Ca 0.12 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 2cqv s PHE 28 Cb -0.16 -1.66 0.10 0.00 -0.34 0.00 0.00 43.02 40.95 2cqv s PHE 28 CO 0.11 -0.12 0.05 0.20 -1.46 0.00 0.00 175.22 174.00 2cqv s GLY 29 N -0.19 1.91 0.19 13.12 0.00 -0.88 -4.30 107.32 117.17 2cqv s GLY 29 Ca -0.02 -2.43 -0.32 0.00 0.00 0.00 0.00 44.72 41.96 2cqv s GLY 29 CO 0.03 0.91 1.63 1.25 0.00 0.00 0.00 173.10 176.92 2cqv s LYS 30 N 0.96 4.18 -0.01 2.90 2.20 -0.58 -3.84 119.74 125.55 2cqv s LYS 30 Ca 0.08 2.47 0.08 0.00 -0.36 0.00 0.00 55.97 58.23 2cqv s LYS 30 Cb -0.20 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2cqv s LYS 30 CO -0.07 -0.66 -0.25 0.14 -0.36 0.00 0.00 175.35 174.15 2cqv s VAL 31 N 1.08 1.96 0.00 4.02 -7.23 0.52 -2.94 120.40 117.82 2cqv s VAL 31 Ca 0.71 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2cqv s VAL 31 Cb -0.46 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2cqv s VAL 31 CO 0.32 0.51 0.00 1.07 -0.31 0.00 0.00 175.10 176.69 2cqv n THR 32 N 2.34 0.00 0.00 5.32 5.66 -1.06 -4.73 114.28 121.81 2cqv n THR 32 Ca -0.16 0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2cqv n THR 32 Cb 0.52 -1.06 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 2cqv n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2cqv n GLY 33 N 2.56 1.57 2.72 1.09 0.00 -1.26 -4.01 105.19 107.86 2cqv n GLY 33 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2cqv n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqv s THR 34 N 0.00 0.85 0.59 2.61 2.01 -1.26 -4.75 115.64 115.69 2cqv s THR 34 Ca 0.00 -1.42 -0.18 0.00 0.31 0.00 0.00 61.69 60.39 2cqv s THR 34 Cb 0.00 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2cqv s THR 34 CO 0.00 -0.69 1.17 -1.10 -0.69 0.00 0.00 174.62 173.31 2cqv s GLN 35 N 1.58 3.02 0.45 4.92 -1.52 -1.26 -4.18 119.66 122.67 2cqv s GLN 35 Ca 0.10 1.69 -0.23 0.00 -1.95 0.00 0.00 55.36 54.97 2cqv s GLN 35 Cb -0.18 -1.95 -0.08 0.00 -0.22 0.00 0.00 33.01 30.59 2cqv s GLN 35 CO -0.24 -1.14 1.17 -1.25 -0.25 0.00 0.00 175.29 173.58 2cqv s PRO 36 N -3.46 3.82 0.08 2.91 0.04 -1.26 -5.17 135.00 131.96 2cqv s PRO 36 Ca 0.74 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.65 2cqv s PRO 36 Cb -0.27 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2cqv s PRO 36 CO 0.33 -0.51 -0.19 0.42 0.04 0.00 0.00 177.00 177.09 2cqv s ILE 37 N -1.51 1.54 0.45 0.56 1.01 -1.26 -4.80 121.20 117.19 2cqv s ILE 37 Ca 0.62 -1.36 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 2cqv s ILE 37 Cb -0.29 -1.40 -0.07 0.00 0.01 0.00 0.00 42.46 40.71 2cqv s ILE 37 CO 0.36 -0.01 0.87 -0.89 0.00 0.00 0.00 174.94 175.27 2cqv s THR 38 N -1.05 4.65 -0.14 2.92 2.01 0.14 -4.93 115.64 119.23 2cqv s THR 38 Ca 0.05 0.95 -0.07 0.00 0.31 0.00 0.00 61.69 62.92 2cqv s THR 38 Cb -0.09 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.76 2cqv s THR 38 CO 0.03 -0.57 0.33 0.00 -0.69 0.00 0.00 174.62 173.73 2cqv s THR 40 N 1.38 0.33 -0.18 0.00 2.01 0.17 -4.99 115.64 114.36 2cqv s THR 40 Ca -0.09 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2cqv s THR 40 Cb -0.09 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 2cqv s THR 40 CO -0.11 -0.05 -0.03 0.26 -0.69 0.00 0.00 174.62 174.01 2cqv s TRP 41 N -0.43 3.01 0.04 4.92 0.52 -1.26 -0.03 118.94 125.71 2cqv s TRP 41 Ca -0.02 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.62 2cqv s TRP 41 Cb -0.04 -2.03 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 2cqv s TRP 41 CO -0.00 -0.22 -0.06 -1.64 0.02 0.00 0.00 176.95 175.05 2cqv s MET 42 N 0.83 0.50 -0.03 4.98 -1.94 -0.40 -1.21 119.30 122.03 2cqv s MET 42 Ca -0.00 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 2cqv s MET 42 Cb -0.14 -0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.61 2cqv s MET 42 CO 0.02 -0.01 -0.09 0.21 -0.01 0.00 0.00 175.02 175.14 2cqv s LYS 43 N -2.06 1.08 -1.49 2.03 2.20 -0.69 0.13 119.74 120.95 2cqv s LYS 43 Ca -0.08 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 2cqv s LYS 43 Cb -0.06 -0.99 0.07 0.00 -1.51 0.00 0.00 37.83 35.34 2cqv s LYS 43 CO -0.02 0.08 0.94 1.19 -0.36 0.00 0.00 175.35 177.19 2cqv n PHE 44 N 3.45 -2.26 -3.52 4.03 3.72 -0.67 -1.29 117.46 120.92 2cqv n PHE 44 Ca -0.20 0.90 -0.21 0.00 -0.05 0.00 0.00 57.45 57.89 2cqv n PHE 44 Cb 0.53 -4.10 0.08 0.00 -0.94 0.00 0.00 39.48 35.06 2cqv n PHE 44 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2cqv n ARG 45 N -4.63 -7.39 -3.25 -1.08 5.12 -1.26 -4.99 116.66 99.18 2cqv n ARG 45 Ca -0.02 0.81 -0.03 0.00 -1.93 0.00 0.00 57.85 56.68 2cqv n ARG 45 Cb 0.55 -5.79 -0.04 0.00 -1.16 0.00 0.00 32.46 26.02 2cqv n ARG 45 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2cqv s LYS 46 N -5.99 0.46 0.08 5.56 2.20 -0.42 -5.13 119.74 116.50 2cqv s LYS 46 Ca 0.40 0.55 -0.33 0.00 -0.36 0.00 0.00 55.97 56.23 2cqv s LYS 46 Cb -0.18 -0.03 -0.18 0.00 -1.51 0.00 0.00 37.83 35.93 2cqv s LYS 46 CO 0.71 -0.82 0.80 0.94 -0.36 0.00 0.00 175.35 176.62 2cqv n GLN 47 N 5.39 0.00 -1.80 4.03 7.27 -1.26 -1.70 117.38 129.30 2cqv n GLN 47 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.75 2cqv n GLN 47 Cb 0.51 -1.23 0.03 0.00 2.41 0.00 0.00 30.24 31.97 2cqv n GLN 47 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2cqv s ILE 48 N -0.39 3.74 -0.24 1.69 1.01 -0.35 -4.77 121.20 121.89 2cqv s ILE 48 Ca 0.76 0.73 -0.06 0.00 0.00 0.00 0.00 60.65 62.08 2cqv s ILE 48 Cb -1.07 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 2cqv s ILE 48 CO 0.54 -0.58 0.02 -1.10 0.00 0.00 0.00 174.94 173.81 2cqv s GLN 49 N -4.41 3.50 0.17 2.79 -0.21 -1.26 -4.97 119.66 115.26 2cqv s GLN 49 Ca 0.62 -0.57 -0.32 0.00 0.02 0.00 0.00 55.36 55.12 2cqv s GLN 49 Cb -0.16 -3.19 -0.11 0.00 1.00 0.00 0.00 33.01 30.54 2cqv s GLN 49 CO 0.44 -0.21 1.76 -1.21 -2.12 0.00 0.00 175.29 173.95 2cqv s GLU 50 N 1.55 4.13 0.15 2.91 2.02 -1.26 -4.60 118.70 123.61 2cqv s GLU 50 Ca 0.06 2.59 -0.11 0.00 0.02 0.00 0.00 54.97 57.53 2cqv s GLU 50 Cb -0.15 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.84 2cqv s GLU 50 CO 0.01 -0.78 0.55 0.43 0.02 0.00 0.00 175.26 175.48 2cqv n SER 51 N 4.65 -1.11 0.00 -0.19 7.64 0.11 -4.96 113.62 119.76 2cqv n SER 51 Ca 0.17 -1.65 0.08 0.00 1.01 0.00 0.00 58.87 58.47 2cqv n SER 51 Cb 0.36 1.82 0.36 0.00 -1.01 0.00 0.00 64.21 65.75 2cqv n SER 51 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2cqv n GLU 52 N -0.38 0.08 -0.11 1.43 0.28 -1.26 -2.55 120.64 118.13 2cqv n GLU 52 Ca -0.03 0.19 -0.13 0.00 -0.16 0.00 0.00 57.16 57.04 2cqv n GLU 52 Cb 0.34 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.58 2cqv n GLU 52 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2cqv n HIS 53 N -1.43 0.00 -3.67 -1.84 8.25 -1.26 -4.41 115.22 110.86 2cqv n HIS 53 Ca 0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 2cqv n HIS 53 Cb 0.17 -0.93 -0.16 0.00 1.12 0.00 0.00 29.99 30.19 2cqv n HIS 53 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2cqv s MET 54 N -2.47 0.47 0.45 -0.41 -1.94 -1.06 -0.29 119.30 114.06 2cqv s MET 54 Ca -0.20 -0.56 0.08 0.00 -1.71 0.00 0.00 55.69 53.30 2cqv s MET 54 Cb 0.07 -1.81 0.02 0.00 2.01 0.00 0.00 34.83 35.12 2cqv s MET 54 CO 0.67 -0.82 0.59 0.15 -0.01 0.00 0.00 175.02 175.60 2cqv s LYS 55 N 1.90 2.68 -0.10 2.03 1.02 -0.01 0.06 119.74 127.33 2cqv s LYS 55 Ca 0.04 -1.37 -0.05 0.00 0.02 0.00 0.00 55.97 54.62 2cqv s LYS 55 Cb -0.17 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 2cqv s LYS 55 CO -0.19 -0.38 0.23 0.08 -0.92 0.00 0.00 175.35 174.16 2cqv s VAL 56 N -2.43 -0.10 -0.86 3.17 1.01 -1.26 -2.77 120.40 117.16 2cqv s VAL 56 Ca 0.55 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 2cqv s VAL 56 Cb -0.08 -0.36 0.21 0.00 0.00 0.00 0.00 36.38 36.15 2cqv s VAL 56 CO 0.33 0.07 0.74 -0.70 0.00 0.00 0.00 175.10 175.55 2cqv s GLU 57 N 1.44 3.19 0.10 2.72 2.12 -0.33 -4.96 118.70 122.99 2cqv s GLU 57 Ca -0.07 -3.21 -0.31 0.00 0.36 0.00 0.00 54.97 51.74 2cqv s GLU 57 Cb -0.11 -3.92 -0.08 0.00 0.26 0.00 0.00 34.13 30.28 2cqv s GLU 57 CO -0.08 -1.26 1.38 -0.80 -0.54 0.00 0.00 175.26 173.96 2cqv s ASN 58 N -0.09 6.85 0.29 -1.70 -0.87 -1.26 -2.81 114.94 115.34 2cqv s ASN 58 Ca 0.26 2.29 -0.14 0.00 -1.57 0.00 0.00 52.86 53.70 2cqv s ASN 58 Cb -0.08 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.58 2cqv s ASN 58 CO -0.12 -0.64 0.60 -0.44 -2.57 0.00 0.00 177.10 173.93 2cqv s SER 59 N 1.15 0.00 0.03 -1.22 0.01 -0.14 -5.02 113.70 108.51 2cqv s SER 59 Ca 0.64 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 2cqv s SER 59 Cb -0.36 0.68 -0.07 0.00 0.21 0.00 0.00 66.02 66.48 2cqv s SER 59 CO 0.30 -1.31 1.23 -0.08 0.41 0.00 0.00 173.24 173.78 2cqv h GLU 60 N 2.12 -0.44 -0.91 12.44 4.57 -1.94 -2.62 114.58 127.80 2cqv h GLU 60 Ca -0.25 0.03 0.34 0.00 -1.18 0.00 0.00 59.36 58.30 2cqv h GLU 60 Cb 1.25 0.10 -0.16 0.00 -0.16 0.00 0.00 28.75 29.77 2cqv h GLU 60 CO 0.33 -0.29 0.36 0.09 -1.18 0.00 0.00 179.01 178.32 2cqv n ASN 61 N -3.54 0.20 0.00 1.04 3.02 -1.26 -4.78 115.26 109.94 2cqv n ASN 61 Ca -0.06 1.51 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 2cqv n ASN 61 Cb 0.20 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 2cqv n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cqv n GLY 62 N -1.30 -0.72 3.09 7.41 0.00 -0.99 -0.35 105.19 112.33 2cqv n GLY 62 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 2cqv n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cqv s SER 63 N -4.00 -0.13 0.11 1.61 0.15 -1.25 -0.97 113.70 109.22 2cqv s SER 63 Ca 0.00 0.20 0.11 0.00 0.70 0.00 0.00 55.95 56.96 2cqv s SER 63 Cb 0.00 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2cqv s SER 63 CO 0.00 -0.17 -0.27 -0.75 1.20 0.00 0.00 173.24 173.25 2cqv s LYS 64 N -0.39 1.47 -0.31 5.44 2.20 -1.12 -2.07 119.74 124.95 2cqv s LYS 64 Ca -0.05 -1.29 0.01 0.00 -0.36 0.00 0.00 55.97 54.28 2cqv s LYS 64 Cb -0.03 -1.89 0.10 0.00 -1.51 0.00 0.00 37.83 34.49 2cqv s LYS 64 CO 0.01 0.46 0.07 -1.17 -0.36 0.00 0.00 175.35 174.36 2cqv s LEU 65 N -1.89 3.05 -0.14 5.43 2.96 0.27 -1.18 118.68 127.18 2cqv s LEU 65 Ca 0.13 -1.77 -0.19 0.00 -0.22 0.00 0.00 54.13 52.08 2cqv s LEU 65 Cb -0.10 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 2cqv s LEU 65 CO 0.05 -0.39 0.52 -0.89 -1.32 0.00 0.00 176.35 174.32 2cqv s THR 66 N 1.38 5.14 -0.25 3.68 2.01 -1.11 -1.54 115.64 124.95 2cqv s THR 66 Ca 0.09 1.02 -0.05 0.00 0.31 0.00 0.00 61.69 63.06 2cqv s THR 66 Cb -0.18 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2cqv s THR 66 CO -0.19 0.26 0.01 -0.63 -0.69 0.00 0.00 174.62 173.38 2cqv s ILE 67 N 1.00 3.66 0.24 1.82 1.01 -0.87 -0.83 121.20 127.23 2cqv s ILE 67 Ca 0.27 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 2cqv s ILE 67 Cb -0.15 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.49 2cqv s ILE 67 CO 0.11 0.30 0.59 -0.76 0.00 0.00 0.00 174.94 175.18 2cqv s LEU 68 N 1.50 4.17 -1.64 2.97 2.01 0.61 -2.43 118.68 125.86 2cqv s LEU 68 Ca 0.05 1.01 -0.19 0.00 0.01 0.00 0.00 54.13 55.01 2cqv s LEU 68 Cb -0.15 -3.72 0.19 0.00 0.01 0.00 0.00 46.19 42.52 2cqv s LEU 68 CO -0.01 -0.08 0.48 0.00 1.01 0.00 0.00 176.35 177.76 2cqv n ALA 69 N -0.08 -1.14 -1.02 4.21 0.00 -1.20 -4.50 120.51 116.78 2cqv n ALA 69 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 2cqv n ALA 69 Cb 0.52 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 2cqv n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cqv n ALA 70 N -3.69 0.20 -1.20 0.00 0.00 -1.07 -4.07 120.51 110.69 2cqv n ALA 70 Ca 0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 2cqv n ALA 70 Cb 0.42 -1.56 0.12 0.00 0.00 0.00 0.00 19.45 18.42 2cqv n ALA 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2cqv n ARG 71 N 5.83 -1.55 0.11 0.00 3.00 -1.26 -0.19 116.66 122.59 2cqv n ARG 71 Ca 0.45 -0.94 -0.03 0.00 -0.01 0.00 0.00 57.85 57.32 2cqv n ARG 71 Cb 0.01 -0.78 0.06 0.00 0.00 0.00 0.00 32.46 31.75 2cqv n ARG 71 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2cqv h GLN 72 N 0.00 0.00 -0.32 5.56 5.75 -1.93 -3.25 115.11 120.92 2cqv h GLN 72 Ca -0.21 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.15 2cqv h GLN 72 Cb 0.62 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 2cqv h GLN 72 CO 0.14 0.75 -0.33 1.05 -2.65 0.00 0.00 178.83 177.79 2cqv h GLU 73 N 0.00 0.79 -0.84 1.69 4.11 -1.98 -3.09 114.58 115.26 2cqv h GLU 73 Ca -0.01 -0.42 0.32 0.00 0.07 0.00 0.00 59.36 59.32 2cqv h GLU 73 Cb 1.37 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.48 2cqv h GLU 73 CO 0.10 1.05 0.33 0.72 0.07 0.00 0.00 179.01 181.28 2cqv n HIS 74 N -4.18 0.86 -1.59 2.06 8.25 -1.23 -4.44 115.22 114.95 2cqv n HIS 74 Ca -0.03 1.00 -0.60 0.00 -0.26 0.00 0.00 57.72 57.83 2cqv n HIS 74 Cb 0.50 -1.33 -0.08 0.00 1.12 0.00 0.00 29.99 30.20 2cqv n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2cqv n GLY 76 N 2.49 -0.81 2.74 0.00 0.00 -1.03 -5.01 105.19 103.57 2cqv n GLY 76 Ca 0.23 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2cqv n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqv s TYR 78 N 1.81 2.31 -0.29 0.00 1.51 -0.67 -1.67 117.35 120.35 2cqv s TYR 78 Ca 0.01 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2cqv s TYR 78 Cb -0.12 -2.67 0.16 0.00 -0.11 0.00 0.00 41.96 39.21 2cqv s TYR 78 CO -0.03 -1.06 0.57 0.99 -1.11 0.00 0.00 175.55 174.91 2cqv s THR 79 N -2.78 -0.92 -0.32 -0.71 2.01 0.34 -2.87 115.64 110.38 2cqv s THR 79 Ca 0.60 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.41 2cqv s THR 79 Cb -0.08 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2cqv s THR 79 CO 0.39 -0.01 0.57 -0.22 -0.69 0.00 0.00 174.62 174.66 2cqv s LEU 80 N 2.81 4.22 -0.27 4.42 2.96 -1.24 -1.27 118.68 130.31 2cqv s LEU 80 Ca 0.13 0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 54.17 2cqv s LEU 80 Cb -0.14 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2cqv s LEU 80 CO -0.19 -0.48 0.14 -0.22 -1.32 0.00 0.00 176.35 174.28 2cqv s LEU 81 N 2.52 3.80 -0.33 -0.68 2.96 0.95 -1.91 118.68 125.99 2cqv s LEU 81 Ca 0.22 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 2cqv s LEU 81 Cb -0.15 -2.04 0.09 0.00 0.50 0.00 0.00 46.19 44.59 2cqv s LEU 81 CO 0.13 -0.05 0.04 0.68 -1.32 0.00 0.00 176.35 175.83 2cqv s VAL 82 N 1.70 2.45 0.30 1.68 -7.23 0.56 0.44 120.40 120.30 2cqv s VAL 82 Ca 0.07 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2cqv s VAL 82 Cb -0.16 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 2cqv s VAL 82 CO 0.08 -0.47 0.30 -1.61 -0.31 0.00 0.00 175.10 173.09 2cqv s GLU 83 N 1.00 2.93 0.13 4.82 2.02 -1.11 -0.70 118.70 127.79 2cqv s GLU 83 Ca 0.06 -1.11 -0.10 0.00 0.02 0.00 0.00 54.97 53.84 2cqv s GLU 83 Cb -0.20 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.46 2cqv s GLU 83 CO -0.06 0.22 0.49 0.27 0.02 0.00 0.00 175.26 176.20 2cqv n ASN 84 N -1.36 -0.99 0.13 -0.19 6.94 0.27 0.23 115.26 120.29 2cqv n ASN 84 Ca -0.04 -1.58 0.06 0.00 -0.02 0.00 0.00 54.58 53.00 2cqv n ASN 84 Cb 0.59 1.62 0.53 0.00 -2.36 0.00 0.00 39.78 40.16 2cqv n ASN 84 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 2cqv h LYS 85 N 0.00 0.27 0.00 -3.83 1.63 -1.89 -3.29 116.57 109.46 2cqv h LYS 85 Ca -0.15 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2cqv h LYS 85 Cb 0.62 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2cqv h LYS 85 CO 0.20 0.18 0.00 1.28 -3.45 0.00 0.00 179.45 177.65 2cqv n LEU 86 N -4.51 1.31 0.00 5.20 4.77 -1.26 -5.08 117.00 117.43 2cqv n LEU 86 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2cqv n LEU 86 Cb 0.08 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2cqv n LEU 86 CO 0.35 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2cqv n GLY 87 N 1.79 4.82 3.51 -0.72 0.00 -1.24 -4.84 105.19 108.51 2cqv n GLY 87 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 2cqv n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqv s SER 88 N 1.31 -0.52 0.06 1.61 1.04 -1.26 -0.56 113.70 115.38 2cqv s SER 88 Ca 0.00 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.80 2cqv s SER 88 Cb 0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2cqv s SER 88 CO 0.00 -0.63 -0.06 -0.60 0.98 0.00 0.00 173.24 172.93 2cqv s ARG 89 N -2.10 0.63 -0.02 4.02 6.06 0.12 -4.77 118.95 122.90 2cqv s ARG 89 Ca -0.03 -1.01 -0.01 0.00 -2.50 0.00 0.00 55.73 52.18 2cqv s ARG 89 Cb -0.01 -0.17 0.01 0.00 0.06 0.00 0.00 34.95 34.85 2cqv s ARG 89 CO -0.01 -0.00 0.03 1.14 -2.50 0.00 0.00 175.30 173.96 2cqv s GLN 90 N -2.68 0.01 0.54 5.12 -2.07 -1.26 -0.32 119.66 119.00 2cqv s GLN 90 Ca -0.00 0.10 0.03 0.00 -1.82 0.00 0.00 55.36 53.67 2cqv s GLN 90 Cb -0.02 -0.09 0.02 0.00 -1.09 0.00 0.00 33.01 31.83 2cqv s GLN 90 CO -0.03 -0.07 0.23 0.00 -1.32 0.00 0.00 175.29 174.10 2cqv s ALA 91 N 0.44 4.37 -0.25 2.60 0.00 -0.80 -4.94 121.76 123.19 2cqv s ALA 91 Ca -0.04 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2cqv s ALA 91 Cb -0.05 -0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.77 2cqv s ALA 91 CO -0.01 -0.27 0.55 -0.65 0.00 0.00 0.00 175.76 175.38 2cqv s GLN 92 N -4.12 0.48 -0.05 0.00 -0.21 -1.26 -3.59 119.66 110.91 2cqv s GLN 92 Ca 0.19 1.22 0.01 0.00 0.02 0.00 0.00 55.36 56.80 2cqv s GLN 92 Cb -0.01 0.52 0.02 0.00 1.00 0.00 0.00 33.01 34.54 2cqv s GLN 92 CO 0.12 -0.21 -0.04 0.54 -2.12 0.00 0.00 175.29 173.58 2cqv s VAL 93 N 2.52 0.56 0.09 1.09 0.11 -1.14 -4.88 120.40 118.76 2cqv s VAL 93 Ca -0.05 -0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 2cqv s VAL 93 Cb -0.11 -0.60 -0.07 0.00 -1.53 0.00 0.00 36.38 34.07 2cqv s VAL 93 CO -0.16 0.24 0.59 0.20 -3.33 0.00 0.00 175.10 172.64 2cqv s ASN 94 N 1.04 7.09 -0.02 3.54 0.01 -1.26 -1.67 114.94 123.67 2cqv s ASN 94 Ca -0.09 1.30 0.05 0.00 -0.71 0.00 0.00 52.86 53.41 2cqv s ASN 94 Cb -0.14 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 2cqv s ASN 94 CO -0.01 0.25 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.45 2cqv s LEU 95 N -1.18 2.02 -0.14 0.60 2.96 -0.59 -2.14 118.68 120.21 2cqv s LEU 95 Ca 0.30 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2cqv s LEU 95 Cb -0.20 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.63 2cqv s LEU 95 CO 0.20 0.20 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.40 2cqv s THR 96 N -0.36 1.52 -0.10 3.68 2.01 -1.04 -2.47 115.64 118.89 2cqv s THR 96 Ca 0.06 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 2cqv s THR 96 Cb -0.07 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 2cqv s THR 96 CO -0.00 0.45 0.42 -0.69 -0.69 0.00 0.00 174.62 174.11 2cqv s VAL 97 N 1.37 5.17 -0.15 3.82 1.01 -1.26 -0.94 120.40 129.42 2cqv s VAL 97 Ca 0.02 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.85 2cqv s VAL 97 Cb -0.13 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2cqv s VAL 97 CO -0.08 0.40 -0.12 0.68 0.00 0.00 0.00 175.10 175.98 2cqv s VAL 98 N 0.21 1.44 -0.78 2.92 -7.23 0.10 -4.81 120.40 112.25 2cqv s VAL 98 Ca 0.23 -0.60 0.15 0.00 -1.81 0.00 0.00 61.98 59.96 2cqv s VAL 98 Cb -0.15 -1.40 0.73 0.00 0.56 0.00 0.00 36.38 36.12 2cqv s VAL 98 CO 0.10 0.39 1.63 -0.67 -0.31 0.00 0.00 175.10 176.24 2cqv n ASP 99 N 4.80 4.96 -4.75 4.85 2.03 -1.26 0.23 116.55 127.41 2cqv n ASP 99 Ca -0.16 -2.62 -0.39 0.00 0.52 0.00 0.00 54.79 52.14 2cqv n ASP 99 Cb 0.50 -0.62 0.04 0.00 -0.72 0.00 0.00 41.12 40.32 2cqv n ASP 99 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2cqv s LYS 100 N -2.20 3.26 0.65 -0.67 -2.85 -1.26 -4.95 119.74 111.72 2cqv s LYS 100 Ca 0.50 2.31 -0.15 0.00 -1.00 0.00 0.00 55.97 57.63 2cqv s LYS 100 Cb 0.35 -2.36 -0.01 0.00 -2.06 0.00 0.00 37.83 33.75 2cqv s LYS 100 CO 0.20 -1.12 1.11 -1.25 0.10 0.00 0.00 175.35 174.39 2cqv s PRO 101 N -2.79 2.85 0.36 1.78 0.04 -1.26 -4.98 135.00 130.99 2cqv s PRO 101 Ca 0.69 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.86 2cqv s PRO 101 Cb -0.42 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.06 2cqv s PRO 101 CO 0.51 -1.21 1.35 -0.51 0.04 0.00 0.00 177.00 177.18 2cqv s ASP 102 N -2.51 6.58 0.79 6.66 1.11 -1.26 -5.00 116.67 123.04 2cqv s ASP 102 Ca 0.67 2.77 -0.11 0.00 0.18 0.00 0.00 52.55 56.07 2cqv s ASP 102 Cb -0.21 -2.65 0.07 0.00 1.07 0.00 0.00 42.92 41.19 2cqv s ASP 102 CO 0.40 -0.68 1.09 -2.16 1.18 0.00 0.00 175.17 175.00 2cqv s PRO 103 N -1.95 2.14 0.30 8.23 0.04 -1.26 -5.00 135.00 137.50 2cqv s PRO 103 Ca 0.51 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 2cqv s PRO 103 Cb -0.41 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 2cqv s PRO 103 CO 0.55 -1.72 1.23 -1.25 0.04 0.00 0.00 177.00 175.85 2cqv s PRO 104 N -4.91 4.46 -0.98 0.56 0.04 -1.26 -4.99 135.00 127.93 2cqv s PRO 104 Ca 0.61 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 2cqv s PRO 104 Cb -0.17 -3.12 0.26 0.00 0.04 0.00 0.00 34.50 31.50 2cqv s PRO 104 CO 0.56 -0.05 1.00 0.00 0.04 0.00 0.00 177.00 178.54 2cqv n ALA 105 N 1.12 4.17 0.00 8.56 0.00 -1.26 -4.97 120.51 128.13 2cqv n ALA 105 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.78 2cqv n ALA 105 Cb 0.43 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2cqv n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqv n GLY 106 N 2.16 3.59 3.37 0.00 0.00 -1.26 -5.06 105.19 107.98 2cqv n GLY 106 Ca 0.24 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 2cqv n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cqv s THR 107 N -2.66 3.85 -1.37 2.61 2.01 -1.26 -4.97 115.64 113.85 2cqv s THR 107 Ca 0.00 -0.37 0.15 0.00 0.31 0.00 0.00 61.69 61.78 2cqv s THR 107 Cb 0.00 -2.80 0.24 0.00 0.01 0.00 0.00 72.50 69.95 2cqv s THR 107 CO 0.00 0.35 1.41 -0.81 -0.69 0.00 0.00 174.62 174.88 2cqv n PRO 108 N 4.86 0.18 -0.26 4.92 -0.04 -1.26 -3.83 135.00 139.58 2cqv n PRO 108 Ca -0.17 0.16 0.24 0.00 -0.04 0.00 0.00 63.50 63.70 2cqv n PRO 108 Cb 0.51 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.92 2cqv n PRO 108 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2cqv n SER 109 N -1.31 0.25 0.00 3.54 3.41 -1.26 -4.66 113.62 113.59 2cqv n SER 109 Ca 0.06 1.33 0.00 0.00 -0.26 0.00 0.00 58.87 60.01 2cqv n SER 109 Cb 0.12 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2cqv n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqv n GLY 110 N -1.23 3.20 3.77 5.00 0.00 -1.25 -5.16 105.19 109.53 2cqv n GLY 110 Ca 0.29 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2cqv n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqv s PRO 111 N -1.09 3.11 0.72 1.61 0.04 -1.26 -5.03 135.00 133.09 2cqv s PRO 111 Ca 0.00 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2cqv s PRO 111 Cb 0.00 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.58 2cqv s PRO 111 CO 0.00 -1.02 1.08 0.45 0.04 0.00 0.00 177.00 177.55 2cqv s SER 112 N -2.14 5.28 0.15 6.66 0.15 -1.26 -5.08 113.70 117.45 2cqv s SER 112 Ca 0.70 1.33 0.10 0.00 0.70 0.00 0.00 55.95 58.78 2cqv s SER 112 Cb -0.22 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2cqv s SER 112 CO 0.33 -1.47 -0.21 -0.55 1.20 0.00 0.00 173.24 172.54 2cqv s SER 113 N -4.08 3.65 0.00 5.45 0.15 -1.26 -5.32 113.70 112.28 2cqv s SER 113 Ca 0.58 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.53 2cqv s SER 113 Cb -0.13 -0.39 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2cqv s SER 113 CO 0.53 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.74