#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 0.92 0.47 1.61 0.01 -1.26 -5.16 113.70 110.29 2cqv s SER 2 Ca 0.00 0.07 0.07 0.00 1.31 0.00 0.00 55.95 57.39 2cqv s SER 2 Cb 0.00 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2cqv s SER 2 CO 0.00 -0.30 0.31 -0.44 0.41 0.00 0.00 173.24 173.23 2cqv s SER 3 N 2.38 4.67 -0.36 2.44 0.01 -1.26 -5.08 113.70 116.51 2cqv s SER 3 Ca 0.06 -1.06 0.14 0.00 1.31 0.00 0.00 55.95 56.40 2cqv s SER 3 Cb -0.15 -0.14 0.42 0.00 0.21 0.00 0.00 66.02 66.36 2cqv s SER 3 CO -0.12 -0.79 1.01 0.61 0.41 0.00 0.00 173.24 174.36 2cqv n GLY 4 N -1.52 1.78 3.57 3.44 0.00 -1.26 -5.05 105.19 106.15 2cqv n GLY 4 Ca -0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 2cqv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cqv s SER 5 N -2.45 4.22 0.15 1.61 1.04 -1.26 -4.91 113.70 112.10 2cqv s SER 5 Ca 0.28 -0.86 -0.27 0.00 0.48 0.00 0.00 55.95 55.58 2cqv s SER 5 Cb 0.42 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.88 2cqv s SER 5 CO -0.02 -3.81 0.84 -0.94 0.98 0.00 0.00 173.24 170.29 2cqv s SER 6 N 8.49 7.43 1.02 7.02 1.04 -1.26 -4.98 113.70 132.45 2cqv s SER 6 Ca 0.79 1.70 -0.15 0.00 0.48 0.00 0.00 55.95 58.76 2cqv s SER 6 Cb -0.06 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.66 2cqv s SER 6 CO 0.11 0.12 0.11 0.61 0.98 0.00 0.00 173.24 175.17 2cqv n GLY 7 N 1.82 -2.50 3.74 7.32 0.00 -1.26 -4.12 105.19 110.19 2cqv n GLY 7 Ca -0.03 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.33 4.39 -0.01 1.61 0.04 -1.25 -4.38 135.00 132.07 2cqv s PRO 8 Ca 0.40 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.43 2cqv s PRO 8 Cb -0.06 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2cqv s PRO 8 CO 0.43 -0.24 0.11 1.14 0.04 0.00 0.00 177.00 178.48 2cqv s GLN 9 N -0.17 0.39 -0.58 4.56 -2.07 -0.71 -4.26 119.66 116.82 2cqv s GLN 9 Ca 0.56 -0.30 -0.14 0.00 -1.82 0.00 0.00 55.36 53.66 2cqv s GLN 9 Cb -0.36 0.16 0.14 0.00 -1.09 0.00 0.00 33.01 31.86 2cqv s GLN 9 CO 0.38 -0.08 0.52 0.42 -1.32 0.00 0.00 175.29 175.21 2cqv s ILE 10 N -1.07 5.08 -0.13 3.63 1.01 -1.26 -1.59 121.20 126.88 2cqv s ILE 10 Ca -0.12 -1.75 0.15 0.00 0.00 0.00 0.00 60.65 58.93 2cqv s ILE 10 Cb -0.06 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2cqv s ILE 10 CO 0.01 -0.88 1.26 0.16 0.00 0.00 0.00 174.94 175.49 2cqv h ILE 11 N 5.72 0.83 -3.59 2.92 -2.65 -1.90 -3.45 117.51 115.39 2cqv h ILE 11 Ca -0.21 -2.25 -0.67 0.00 1.03 0.00 0.00 64.86 62.77 2cqv h ILE 11 Cb 1.08 2.35 -0.32 0.00 -2.05 0.00 0.00 36.82 37.87 2cqv h ILE 11 CO 0.95 0.47 -0.87 -1.10 0.03 0.00 0.00 178.15 177.63 2cqv s GLN 12 N -2.93 2.72 -0.26 0.16 -0.21 -1.24 -5.03 119.66 112.87 2cqv s GLN 12 Ca 0.02 -0.84 -0.25 0.00 0.02 0.00 0.00 55.36 54.30 2cqv s GLN 12 Cb 0.08 -2.15 0.09 0.00 1.00 0.00 0.00 33.01 32.03 2cqv s GLN 12 CO 0.77 0.24 0.81 0.12 -2.12 0.00 0.00 175.29 175.11 2cqv s PHE 13 N 0.18 -0.68 0.08 0.91 5.36 -1.26 -2.35 117.98 120.22 2cqv s PHE 13 Ca -0.13 1.64 -0.31 0.00 -0.96 0.00 0.00 56.93 57.18 2cqv s PHE 13 Cb -0.16 0.31 -0.07 0.00 -0.34 0.00 0.00 43.02 42.75 2cqv s PHE 13 CO 0.07 -0.35 1.39 -1.25 -1.46 0.00 0.00 175.22 173.62 2cqv s PRO 14 N 0.24 4.32 0.77 10.12 0.04 -1.26 -5.02 135.00 144.20 2cqv s PRO 14 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2cqv s PRO 14 Cb -0.05 -3.34 0.07 0.00 0.04 0.00 0.00 34.50 31.22 2cqv s PRO 14 CO -0.01 -0.46 1.13 -1.21 0.04 0.00 0.00 177.00 176.49 2cqv s GLU 15 N 1.44 2.12 -0.51 4.56 0.41 -1.26 -4.78 118.70 120.68 2cqv s GLU 15 Ca 0.64 0.05 -0.44 0.00 -0.41 0.00 0.00 54.97 54.82 2cqv s GLU 15 Cb -0.35 -2.02 -0.19 0.00 -1.78 0.00 0.00 34.13 29.79 2cqv s GLU 15 CO 0.29 -1.44 2.15 -0.40 -0.49 0.00 0.00 175.26 175.37 2cqv n ASP 16 N -3.18 0.74 -4.46 -0.19 5.75 -1.26 -4.84 116.55 109.12 2cqv n ASP 16 Ca 0.08 0.67 -0.22 0.00 -0.01 0.00 0.00 54.79 55.31 2cqv n ASP 16 Cb 0.60 -0.90 -0.10 0.00 -1.03 0.00 0.00 41.12 39.69 2cqv n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqv s GLN 17 N 6.03 1.63 0.37 0.11 -2.07 -1.04 -5.01 119.66 119.68 2cqv s GLN 17 Ca 1.20 -1.84 0.08 0.00 -1.82 0.00 0.00 55.36 52.98 2cqv s GLN 17 Cb -1.50 -1.24 -0.04 0.00 -1.09 0.00 0.00 33.01 29.15 2cqv s GLN 17 CO 0.66 0.02 0.20 0.21 -1.32 0.00 0.00 175.29 175.06 2cqv s LYS 18 N -3.73 2.38 -0.24 9.60 2.20 -1.26 -2.25 119.74 126.44 2cqv s LYS 18 Ca 0.31 -1.61 -0.20 0.00 -0.36 0.00 0.00 55.97 54.11 2cqv s LYS 18 Cb 0.04 -2.17 0.07 0.00 -1.51 0.00 0.00 37.83 34.26 2cqv s LYS 18 CO 0.13 -0.00 0.63 0.54 -0.36 0.00 0.00 175.35 176.29 2cqv s VAL 19 N -2.47 -0.00 -0.35 4.02 0.11 0.16 -4.89 120.40 116.98 2cqv s VAL 19 Ca 0.41 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.17 2cqv s VAL 19 Cb -0.01 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2cqv s VAL 19 CO 0.24 0.00 1.22 -0.13 -3.33 0.00 0.00 175.10 173.10 2cqv s ARG 20 N 0.76 3.89 -0.42 1.54 1.81 -1.26 -0.83 118.95 124.45 2cqv s ARG 20 Ca -0.03 1.05 -0.38 0.00 -1.72 0.00 0.00 55.73 54.65 2cqv s ARG 20 Cb -0.05 -3.86 -0.16 0.00 -0.45 0.00 0.00 34.95 30.43 2cqv s ARG 20 CO -0.06 -1.14 1.61 0.00 -0.68 0.00 0.00 175.30 175.03 2cqv n ALA 21 N 7.55 -0.33 0.00 2.13 0.00 0.17 0.05 120.51 130.09 2cqv n ALA 21 Ca 0.14 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2cqv n ALA 21 Cb 0.47 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 5.13 0.98 4.02 0.00 0.00 0.49 -4.85 105.19 110.96 2cqv n GLY 22 Ca 0.38 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.75 2.45 -0.24 1.61 0.41 0.11 -4.37 118.70 117.91 2cqv s GLU 23 Ca 0.00 -1.40 -0.07 0.00 -0.41 0.00 0.00 54.97 53.09 2cqv s GLU 23 Cb 0.00 -2.65 -0.02 0.00 -1.78 0.00 0.00 34.13 29.67 2cqv s GLU 23 CO 0.00 -0.70 0.05 -1.54 -0.49 0.00 0.00 175.26 172.58 2cqv s SER 24 N -4.55 4.97 0.42 -0.19 1.04 -1.26 -2.99 113.70 111.14 2cqv s SER 24 Ca 0.60 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.86 2cqv s SER 24 Cb -0.07 -1.88 -0.07 0.00 0.10 0.00 0.00 66.02 64.09 2cqv s SER 24 CO 0.37 -0.02 0.05 0.54 0.98 0.00 0.00 173.24 175.16 2cqv s VAL 25 N 1.55 2.03 -0.26 5.02 0.11 -0.97 -4.98 120.40 122.90 2cqv s VAL 25 Ca 0.06 -1.92 -0.15 0.00 -2.93 0.00 0.00 61.98 57.04 2cqv s VAL 25 Cb -0.15 -2.96 0.08 0.00 -1.53 0.00 0.00 36.38 31.82 2cqv s VAL 25 CO 0.02 0.00 0.65 -1.83 -3.33 0.00 0.00 175.10 170.61 2cqv s GLU 26 N -3.77 0.66 -0.26 1.54 4.04 -1.26 -1.74 118.70 117.91 2cqv s GLU 26 Ca 0.35 1.18 0.03 0.00 0.04 0.00 0.00 54.97 56.57 2cqv s GLU 26 Cb 0.08 0.15 0.06 0.00 0.02 0.00 0.00 34.13 34.44 2cqv s GLU 26 CO 0.18 -0.15 -0.10 -0.51 -1.84 0.00 0.00 175.26 172.84 2cqv s LEU 27 N 1.67 3.44 -0.15 1.83 1.43 -0.95 -4.92 118.68 121.03 2cqv s LEU 27 Ca -0.10 -1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 51.57 2cqv s LEU 27 Cb -0.06 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2cqv s LEU 27 CO -0.19 -0.20 -0.07 0.12 0.23 0.00 0.00 176.35 176.24 2cqv s PHE 28 N 1.11 2.93 -0.45 0.29 5.36 -1.26 -1.15 117.98 124.81 2cqv s PHE 28 Ca -0.08 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 2cqv s PHE 28 Cb -0.20 -1.93 0.12 0.00 -0.34 0.00 0.00 43.02 40.67 2cqv s PHE 28 CO -0.05 -0.16 0.21 0.20 -1.46 0.00 0.00 175.22 173.96 2cqv s GLY 29 N 0.48 2.16 0.09 13.12 0.00 -0.95 -4.38 107.32 117.83 2cqv s GLY 29 Ca -0.06 -2.81 -0.34 0.00 0.00 0.00 0.00 44.72 41.51 2cqv s GLY 29 CO 0.03 1.01 1.65 1.17 0.00 0.00 0.00 173.10 176.96 2cqv n LYS 30 N 4.00 2.10 -5.19 2.90 4.81 -0.99 -4.05 118.16 121.74 2cqv n LYS 30 Ca 0.03 0.76 -0.31 0.00 -0.87 0.00 0.00 58.31 57.92 2cqv n LYS 30 Cb 0.39 -2.54 -0.16 0.00 0.02 0.00 0.00 35.03 32.74 2cqv n LYS 30 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2cqv s VAL 31 N 1.74 2.07 0.13 3.15 -7.23 0.58 -2.85 120.40 117.98 2cqv s VAL 31 Ca 0.83 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 59.88 2cqv s VAL 31 Cb -0.70 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 2cqv s VAL 31 CO 0.42 0.52 -0.15 0.28 -0.31 0.00 0.00 175.10 175.86 2cqv s THR 32 N -0.66 1.43 0.00 5.32 -1.32 -0.62 -4.70 115.64 115.09 2cqv s THR 32 Ca 0.10 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 2cqv s THR 32 Cb -0.10 -1.63 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 2cqv s THR 32 CO -0.00 -0.42 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 2cqv n GLY 33 N 0.41 -0.43 2.80 6.08 0.00 -1.26 -1.73 105.19 111.06 2cqv n GLY 33 Ca -0.14 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.43 0.70 2.61 2.01 -1.26 -4.69 115.64 114.57 2cqv s THR 34 Ca 0.00 -0.22 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 2cqv s THR 34 Cb 0.00 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.72 2cqv s THR 34 CO 0.00 -0.26 1.14 -1.10 -0.69 0.00 0.00 174.62 173.71 2cqv s GLN 35 N 2.40 2.50 0.80 4.92 -1.52 -1.26 -4.44 119.66 123.05 2cqv s GLN 35 Ca 0.09 1.51 -0.11 0.00 -1.95 0.00 0.00 55.36 54.90 2cqv s GLN 35 Cb -0.15 -1.90 0.07 0.00 -0.22 0.00 0.00 33.01 30.81 2cqv s GLN 35 CO -0.20 -1.51 1.09 -1.25 -0.25 0.00 0.00 175.29 173.18 2cqv s PRO 36 N -4.08 2.07 -0.07 2.91 0.04 -1.26 -5.07 135.00 129.54 2cqv s PRO 36 Ca 0.69 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.83 2cqv s PRO 36 Cb -0.23 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.46 2cqv s PRO 36 CO 0.44 -1.76 0.00 0.42 0.04 0.00 0.00 177.00 176.14 2cqv s ILE 37 N -2.91 0.35 0.60 0.56 1.01 -1.26 -4.56 121.20 114.99 2cqv s ILE 37 Ca 0.62 0.13 -0.17 0.00 0.00 0.00 0.00 60.65 61.23 2cqv s ILE 37 Cb -0.17 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 2cqv s ILE 37 CO 0.56 0.25 1.10 -0.89 0.00 0.00 0.00 174.94 175.97 2cqv s THR 38 N 1.92 3.36 -0.27 2.92 2.01 0.18 -4.93 115.64 120.83 2cqv s THR 38 Ca 0.04 0.71 -0.01 0.00 0.31 0.00 0.00 61.69 62.75 2cqv s THR 38 Cb -0.12 -3.23 0.15 0.00 0.01 0.00 0.00 72.50 69.30 2cqv s THR 38 CO -0.05 -0.31 0.41 0.00 -0.69 0.00 0.00 174.62 173.98 2cqv s THR 40 N 2.58 1.99 -0.22 0.00 2.01 0.96 -4.97 115.64 117.99 2cqv s THR 40 Ca 0.12 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.00 2cqv s THR 40 Cb -0.14 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 2cqv s THR 40 CO -0.22 0.55 0.12 0.26 -0.69 0.00 0.00 174.62 174.65 2cqv s TRP 41 N -0.12 3.29 -0.00 4.92 0.52 -1.26 -0.11 118.94 126.18 2cqv s TRP 41 Ca -0.04 0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.26 2cqv s TRP 41 Cb -0.14 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 29.97 2cqv s TRP 41 CO 0.04 0.08 -0.13 -1.64 0.02 0.00 0.00 176.95 175.31 2cqv s MET 42 N 0.84 1.07 -0.14 4.98 -1.94 0.16 -1.02 119.30 123.25 2cqv s MET 42 Ca 0.06 -0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2cqv s MET 42 Cb -0.13 -1.04 -0.02 0.00 2.01 0.00 0.00 34.83 35.65 2cqv s MET 42 CO 0.02 0.28 -0.06 0.21 -0.01 0.00 0.00 175.02 175.46 2cqv s LYS 43 N -0.42 3.47 -1.50 2.03 2.47 0.13 -0.04 119.74 125.88 2cqv s LYS 43 Ca 0.05 -0.56 -0.06 0.00 -1.56 0.00 0.00 55.97 53.84 2cqv s LYS 43 Cb -0.06 -2.80 0.05 0.00 -1.46 0.00 0.00 37.83 33.56 2cqv s LYS 43 CO -0.00 0.30 0.51 1.19 0.16 0.00 0.00 175.35 177.51 2cqv n PHE 44 N 3.32 -1.67 -2.16 4.03 3.72 -1.18 0.83 117.46 124.34 2cqv n PHE 44 Ca -0.18 0.76 -0.18 0.00 -0.05 0.00 0.00 57.45 57.81 2cqv n PHE 44 Cb 0.53 -3.47 -0.02 0.00 -0.94 0.00 0.00 39.48 35.57 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 -4.42 -1.38 -3.80 -1.08 5.12 -1.26 -4.98 116.66 104.87 2cqv n ARG 45 Ca -0.19 0.91 -0.28 0.00 -1.93 0.00 0.00 57.85 56.36 2cqv n ARG 45 Cb 0.63 -5.35 -0.16 0.00 -1.16 0.00 0.00 32.46 26.41 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 -4.59 0.96 -0.27 5.56 2.47 0.24 -5.10 119.74 119.02 2cqv s LYS 46 Ca 0.00 -0.49 -0.41 0.00 -1.56 0.00 0.00 55.97 53.50 2cqv s LYS 46 Cb 0.00 -2.08 -0.17 0.00 -1.46 0.00 0.00 37.83 34.12 2cqv s LYS 46 CO 0.00 -0.57 1.62 0.94 0.16 0.00 0.00 175.35 177.50 2cqv n GLN 47 N 4.96 0.81 -2.22 4.03 7.27 -1.26 0.19 117.38 131.16 2cqv n GLN 47 Ca -0.10 0.30 -0.37 0.00 0.07 0.00 0.00 57.00 56.90 2cqv n GLN 47 Cb 0.47 -1.92 -0.00 0.00 2.41 0.00 0.00 30.24 31.20 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 2.82 3.03 -0.28 1.69 1.01 -0.19 -4.79 121.20 124.49 2cqv s ILE 48 Ca 0.98 0.75 -0.08 0.00 0.00 0.00 0.00 60.65 62.30 2cqv s ILE 48 Cb -1.17 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 2cqv s ILE 48 CO 0.67 -0.04 0.09 0.00 0.00 0.00 0.00 174.94 175.66 2cqv s GLN 49 N -2.83 3.34 0.23 2.79 -2.07 -1.26 -4.93 119.66 114.93 2cqv s GLN 49 Ca 0.66 -0.70 -0.30 0.00 -1.82 0.00 0.00 55.36 53.20 2cqv s GLN 49 Cb -0.29 -3.39 -0.15 0.00 -1.09 0.00 0.00 33.01 28.10 2cqv s GLN 49 CO 0.34 -0.35 1.12 0.39 -1.32 0.00 0.00 175.29 175.47 2cqv n GLU 50 N 4.91 1.35 -3.61 9.60 1.02 -1.26 -4.72 120.64 127.93 2cqv n GLU 50 Ca -0.15 0.48 -0.01 0.00 -0.02 0.00 0.00 57.16 57.45 2cqv n GLU 50 Cb 0.49 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 2cqv n GLU 50 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2cqv s SER 51 N -0.23 -0.10 0.60 1.62 0.01 0.17 -4.94 113.70 110.84 2cqv s SER 51 Ca 0.66 -0.07 0.29 0.00 1.31 0.00 0.00 55.95 58.13 2cqv s SER 51 Cb -0.76 0.16 1.49 0.00 0.21 0.00 0.00 66.02 67.12 2cqv s SER 51 CO 0.55 -0.28 1.89 -0.08 0.41 0.00 0.00 173.24 175.74 2cqv h GLU 52 N 2.00 0.00 0.21 12.44 4.57 -1.98 0.28 114.58 132.10 2cqv h GLU 52 Ca -0.20 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.64 2cqv h GLU 52 Cb 1.19 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2cqv h GLU 52 CO 0.26 0.00 -1.60 0.45 -1.18 0.00 0.00 179.01 176.94 2cqv h HIS 53 N 0.00 0.80 -3.17 0.92 3.86 -1.91 -3.36 115.15 112.29 2cqv h HIS 53 Ca 0.17 -0.58 -0.56 0.00 -1.16 0.00 0.00 60.37 58.24 2cqv h HIS 53 Cb 1.08 -0.03 -0.40 0.00 1.06 0.00 0.00 27.41 29.12 2cqv h HIS 53 CO 0.00 1.59 -0.76 -1.64 0.86 0.00 0.00 177.93 177.97 2cqv s MET 54 N -2.60 0.68 0.36 2.45 -1.94 0.96 0.23 119.30 119.43 2cqv s MET 54 Ca -0.12 -0.81 0.07 0.00 -1.71 0.00 0.00 55.69 53.13 2cqv s MET 54 Cb 0.05 -1.96 -0.01 0.00 2.01 0.00 0.00 34.83 34.91 2cqv s MET 54 CO 0.90 -0.86 0.43 0.15 -0.01 0.00 0.00 175.02 175.62 2cqv s LYS 55 N 1.73 2.89 -0.03 2.03 1.02 0.68 0.46 119.74 128.53 2cqv s LYS 55 Ca 0.06 -1.19 -0.00 0.00 0.02 0.00 0.00 55.97 54.85 2cqv s LYS 55 Cb -0.17 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.51 2cqv s LYS 55 CO -0.20 -0.02 0.05 0.08 -0.92 0.00 0.00 175.35 174.34 2cqv s VAL 56 N -2.28 -0.05 -0.72 3.17 1.01 -1.26 -1.71 120.40 118.55 2cqv s VAL 56 Ca 0.46 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.65 2cqv s VAL 56 Cb -0.08 -0.10 0.18 0.00 0.00 0.00 0.00 36.38 36.38 2cqv s VAL 56 CO 0.30 0.08 0.54 -1.61 0.00 0.00 0.00 175.10 174.41 2cqv s GLU 57 N 1.00 2.66 0.29 2.72 2.02 0.36 -4.96 118.70 122.80 2cqv s GLU 57 Ca -0.08 -3.10 -0.29 0.00 0.02 0.00 0.00 54.97 51.52 2cqv s GLU 57 Cb -0.12 -3.62 -0.10 0.00 0.10 0.00 0.00 34.13 30.39 2cqv s GLU 57 CO -0.03 -1.24 1.32 -0.80 0.02 0.00 0.00 175.26 174.54 2cqv s ASN 58 N -0.56 6.79 0.23 -0.19 0.01 -1.26 -2.77 114.94 117.19 2cqv s ASN 58 Ca 0.23 2.61 -0.22 0.00 -0.71 0.00 0.00 52.86 54.77 2cqv s ASN 58 Cb -0.11 -2.64 0.04 0.00 0.41 0.00 0.00 41.25 38.95 2cqv s ASN 58 CO -0.11 -0.55 0.75 -0.44 -1.51 0.00 0.00 177.10 175.25 2cqv s SER 59 N -0.19 -0.30 0.10 -1.22 0.01 0.50 -4.99 113.70 107.60 2cqv s SER 59 Ca 0.52 -0.46 -0.34 0.00 1.31 0.00 0.00 55.95 56.98 2cqv s SER 59 Cb -0.39 0.65 -0.15 0.00 0.21 0.00 0.00 66.02 66.35 2cqv s SER 59 CO 0.48 -1.19 1.57 -0.08 0.41 0.00 0.00 173.24 174.43 2cqv h GLU 60 N 2.00 -0.79 -1.07 12.44 4.81 -1.95 -1.38 114.58 128.64 2cqv h GLU 60 Ca -0.22 0.05 0.32 0.00 -0.13 0.00 0.00 59.36 59.39 2cqv h GLU 60 Cb 1.26 0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.68 2cqv h GLU 60 CO 0.26 -0.52 0.65 -0.91 -0.73 0.00 0.00 179.01 177.75 2cqv h ASN 61 N -0.82 0.47 0.00 1.04 4.21 -1.98 -3.44 115.58 115.06 2cqv h ASN 61 Ca -0.02 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.64 2cqv h ASN 61 Cb 0.78 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.08 2cqv h ASN 61 CO -0.21 -0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.47 2cqv n GLY 62 N -1.38 -0.57 3.14 2.83 0.00 -0.52 -0.31 105.19 108.39 2cqv n GLY 62 Ca 0.31 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.19 -0.12 1.61 0.15 -1.26 -0.37 113.70 109.51 2cqv s SER 63 Ca 0.00 0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.98 2cqv s SER 63 Cb 0.00 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 2cqv s SER 63 CO 0.00 -0.19 -0.19 -0.75 1.20 0.00 0.00 173.24 173.31 2cqv s LYS 64 N -0.34 2.65 -0.48 5.44 2.20 -1.12 -2.25 119.74 125.84 2cqv s LYS 64 Ca -0.05 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 2cqv s LYS 64 Cb -0.03 -2.17 0.12 0.00 -1.51 0.00 0.00 37.83 34.24 2cqv s LYS 64 CO 0.01 -0.02 0.37 -1.17 -0.36 0.00 0.00 175.35 174.19 2cqv s LEU 65 N 0.85 5.78 -0.01 5.43 2.96 -0.30 -0.48 118.68 132.90 2cqv s LEU 65 Ca -0.08 -1.88 -0.22 0.00 -0.22 0.00 0.00 54.13 51.73 2cqv s LEU 65 Cb -0.15 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2cqv s LEU 65 CO -0.01 -0.72 0.66 -0.89 -1.32 0.00 0.00 176.35 174.07 2cqv s THR 66 N 1.41 4.90 -0.24 3.68 2.01 -0.70 -2.24 115.64 124.47 2cqv s THR 66 Ca 0.05 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.43 2cqv s THR 66 Cb -0.27 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.26 2cqv s THR 66 CO 0.00 0.36 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.58 2cqv s ILE 67 N 0.10 2.72 0.17 1.82 1.01 -0.71 -0.23 121.20 126.08 2cqv s ILE 67 Ca 0.34 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 2cqv s ILE 67 Cb -0.19 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.87 2cqv s ILE 67 CO 0.19 0.25 0.43 -0.76 0.00 0.00 0.00 174.94 175.04 2cqv s LEU 68 N 1.31 4.24 -1.78 2.97 2.01 0.13 -2.28 118.68 125.28 2cqv s LEU 68 Ca 0.01 0.69 -0.18 0.00 0.01 0.00 0.00 54.13 54.66 2cqv s LEU 68 Cb -0.16 -3.41 0.18 0.00 0.01 0.00 0.00 46.19 42.81 2cqv s LEU 68 CO -0.06 0.02 0.56 0.00 1.01 0.00 0.00 176.35 177.89 2cqv n ALA 69 N 0.05 -1.36 -1.04 4.21 0.00 -1.21 -4.67 120.51 116.49 2cqv n ALA 69 Ca -0.02 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 2cqv n ALA 69 Cb 0.52 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.40 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 -4.23 -2.14 -2.09 0.00 0.00 -1.16 -4.23 120.51 106.65 2cqv n ALA 70 Ca 0.03 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2cqv n ALA 70 Cb 0.50 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 2cqv n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cqv s ARG 71 N 0.54 2.74 0.00 0.00 0.52 -1.26 -0.38 118.95 121.11 2cqv s ARG 71 Ca 0.63 -1.33 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 2cqv s ARG 71 Cb -0.89 -2.64 0.35 0.00 0.52 0.00 0.00 34.95 32.30 2cqv s ARG 71 CO 0.42 -0.23 1.25 0.94 0.02 0.00 0.00 175.30 177.70 2cqv n GLN 72 N -1.75 0.01 0.01 3.54 -0.06 -1.26 -1.57 117.38 116.30 2cqv n GLN 72 Ca 0.06 0.35 -0.04 0.00 -2.00 0.00 0.00 57.00 55.38 2cqv n GLN 72 Cb 0.60 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 25.17 2cqv n GLN 72 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 2cqv n GLU 73 N -1.48 0.62 0.08 3.69 0.28 -1.26 -3.88 120.64 118.69 2cqv n GLU 73 Ca 0.02 0.26 0.16 0.00 -0.16 0.00 0.00 57.16 57.44 2cqv n GLU 73 Cb 0.09 -1.80 0.67 0.00 1.43 0.00 0.00 31.44 31.83 2cqv n GLU 73 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2cqv h HIS 74 N 0.00 0.01 -2.32 -1.84 3.86 -1.67 -3.41 115.15 109.77 2cqv h HIS 74 Ca -0.21 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.43 2cqv h HIS 74 Cb 1.77 -0.00 0.04 0.00 1.06 0.00 0.00 27.41 30.28 2cqv h HIS 74 CO 0.00 0.00 1.02 0.00 0.86 0.00 0.00 177.93 179.81 2cqv n GLY 76 N 4.04 -0.62 2.76 0.00 0.00 -0.72 -4.99 105.19 105.64 2cqv n GLY 76 Ca 0.19 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 1.86 2.36 -0.21 0.00 1.51 -0.79 -3.13 117.35 118.96 2cqv s TYR 78 Ca 0.00 0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.37 2cqv s TYR 78 Cb -0.16 -3.46 0.11 0.00 -0.11 0.00 0.00 41.96 38.34 2cqv s TYR 78 CO -0.07 -1.84 0.32 0.99 -1.11 0.00 0.00 175.55 173.83 2cqv s THR 79 N -3.45 -0.49 -0.35 -0.71 2.01 0.95 -3.15 115.64 110.45 2cqv s THR 79 Ca 0.65 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 2cqv s THR 79 Cb -0.08 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 2cqv s THR 79 CO 0.47 -0.09 0.43 -0.22 -0.69 0.00 0.00 174.62 174.52 2cqv s LEU 80 N 2.47 4.44 -0.15 4.42 2.96 -0.90 -0.66 118.68 131.25 2cqv s LEU 80 Ca 0.08 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2cqv s LEU 80 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2cqv s LEU 80 CO -0.13 -0.41 0.12 -0.22 -1.32 0.00 0.00 176.35 174.39 2cqv s LEU 81 N 2.17 4.22 -0.31 -0.68 2.96 0.85 -0.75 118.68 127.13 2cqv s LEU 81 Ca 0.14 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2cqv s LEU 81 Cb -0.16 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.58 2cqv s LEU 81 CO 0.12 0.32 0.12 0.68 -1.32 0.00 0.00 176.35 176.27 2cqv s VAL 82 N -0.47 0.55 0.01 1.68 -7.23 0.28 -0.03 120.40 115.19 2cqv s VAL 82 Ca 0.12 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2cqv s VAL 82 Cb -0.12 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 2cqv s VAL 82 CO 0.02 -0.71 0.16 -1.61 -0.31 0.00 0.00 175.10 172.65 2cqv s GLU 83 N 1.73 3.32 0.02 4.82 2.02 -1.10 -1.21 118.70 128.30 2cqv s GLU 83 Ca 0.10 -0.41 -0.18 0.00 0.02 0.00 0.00 54.97 54.50 2cqv s GLU 83 Cb -0.17 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.08 2cqv s GLU 83 CO -0.28 0.65 0.40 1.21 0.02 0.00 0.00 175.26 177.26 2cqv s ASN 84 N -2.04 -0.28 0.32 -0.19 2.47 0.38 0.47 114.94 116.07 2cqv s ASN 84 Ca 0.28 0.07 0.22 0.00 0.42 0.00 0.00 52.86 53.86 2cqv s ASN 84 Cb -0.13 0.40 1.08 0.00 -1.45 0.00 0.00 41.25 41.16 2cqv s ASN 84 CO 0.20 -0.60 1.16 1.17 -3.72 0.00 0.00 177.10 175.31 2cqv n LYS 85 N 0.75 -0.03 0.00 0.43 4.81 -1.26 -1.14 118.16 121.72 2cqv n LYS 85 Ca -0.19 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 2cqv n LYS 85 Cb 0.58 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.80 2cqv n LYS 85 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2cqv n LEU 86 N -4.27 0.59 0.00 3.14 4.77 -1.26 -5.05 117.00 114.92 2cqv n LEU 86 Ca 0.30 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 2cqv n LEU 86 Cb 1.12 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2cqv n LEU 86 CO 0.11 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 2cqv n GLY 87 N 0.70 4.81 3.71 -0.72 0.00 -0.29 -4.93 105.19 108.48 2cqv n GLY 87 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 1.21 -0.22 0.16 1.61 1.04 -1.26 -0.47 113.70 115.77 2cqv s SER 88 Ca 0.00 -0.34 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 2cqv s SER 88 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2cqv s SER 88 CO 0.00 -0.87 0.53 -0.60 0.98 0.00 0.00 173.24 173.28 2cqv s ARG 89 N -3.29 1.24 -0.14 4.02 6.06 -0.35 -4.75 118.95 121.74 2cqv s ARG 89 Ca 0.11 -0.61 -0.06 0.00 -2.50 0.00 0.00 55.73 52.67 2cqv s ARG 89 Cb -0.01 0.54 0.07 0.00 0.06 0.00 0.00 34.95 35.61 2cqv s ARG 89 CO 0.00 -0.53 0.31 1.14 -2.50 0.00 0.00 175.30 173.72 2cqv s GLN 90 N -3.79 0.22 0.49 5.12 -2.07 -1.26 -0.56 119.66 117.82 2cqv s GLN 90 Ca 0.03 0.78 0.07 0.00 -1.82 0.00 0.00 55.36 54.42 2cqv s GLN 90 Cb -0.00 0.03 0.02 0.00 -1.09 0.00 0.00 33.01 31.97 2cqv s GLN 90 CO -0.11 -0.24 0.46 0.00 -1.32 0.00 0.00 175.29 174.08 2cqv s ALA 91 N 2.16 4.32 -0.08 2.60 0.00 0.07 -4.92 121.76 125.91 2cqv s ALA 91 Ca -0.02 -1.69 -0.13 0.00 0.00 0.00 0.00 51.96 50.12 2cqv s ALA 91 Cb -0.11 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.06 2cqv s ALA 91 CO -0.10 -0.42 0.33 -0.65 0.00 0.00 0.00 175.76 174.92 2cqv s GLN 92 N -4.28 0.52 -0.12 0.00 1.11 -1.26 -2.12 119.66 113.51 2cqv s GLN 92 Ca 0.45 0.18 -0.07 0.00 0.01 0.00 0.00 55.36 55.93 2cqv s GLN 92 Cb -0.03 0.24 0.05 0.00 -1.01 0.00 0.00 33.01 32.25 2cqv s GLN 92 CO 0.27 -0.11 0.29 0.54 0.01 0.00 0.00 175.29 176.29 2cqv s VAL 93 N -0.49 -0.03 0.01 1.09 0.11 -1.19 -4.98 120.40 114.92 2cqv s VAL 93 Ca -0.06 0.11 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 2cqv s VAL 93 Cb -0.04 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.32 2cqv s VAL 93 CO 0.02 0.04 0.57 0.20 -3.33 0.00 0.00 175.10 172.61 2cqv s ASN 94 N 1.08 6.98 -0.03 3.54 0.01 -1.26 -1.88 114.94 123.37 2cqv s ASN 94 Ca -0.08 1.17 0.04 0.00 -0.71 0.00 0.00 52.86 53.28 2cqv s ASN 94 Cb -0.08 -2.35 -0.00 0.00 0.41 0.00 0.00 41.25 39.22 2cqv s ASN 94 CO -0.08 0.16 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.32 2cqv s LEU 95 N -0.49 1.87 -0.12 0.60 2.96 -0.49 -2.49 118.68 120.54 2cqv s LEU 95 Ca 0.30 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2cqv s LEU 95 Cb -0.18 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.72 2cqv s LEU 95 CO 0.17 0.12 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.23 2cqv s THR 96 N 0.06 2.36 -0.14 3.68 2.01 -0.95 -1.76 115.64 120.89 2cqv s THR 96 Ca -0.02 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 2cqv s THR 96 Cb -0.10 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2cqv s THR 96 CO 0.01 0.55 0.11 -0.69 -0.69 0.00 0.00 174.62 173.91 2cqv s VAL 97 N 0.42 5.26 -0.06 3.82 1.01 -1.26 -0.67 120.40 128.93 2cqv s VAL 97 Ca -0.15 0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2cqv s VAL 97 Cb -0.17 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.91 2cqv s VAL 97 CO 0.06 0.56 -0.06 0.68 0.00 0.00 0.00 175.10 176.35 2cqv s VAL 98 N -0.54 0.70 -1.92 2.92 -7.23 -0.01 -4.86 120.40 109.47 2cqv s VAL 98 Ca 0.12 -0.18 0.16 0.00 -1.81 0.00 0.00 61.98 60.28 2cqv s VAL 98 Cb -0.12 -0.73 0.49 0.00 0.56 0.00 0.00 36.38 36.59 2cqv s VAL 98 CO 0.02 0.28 1.40 -0.67 -0.31 0.00 0.00 175.10 175.82 2cqv n ASP 99 N 4.32 3.02 -3.86 4.85 2.03 -1.26 0.44 116.55 126.08 2cqv n ASP 99 Ca -0.20 -2.04 -0.12 0.00 0.52 0.00 0.00 54.79 52.96 2cqv n ASP 99 Cb 0.51 -0.38 -0.12 0.00 -0.72 0.00 0.00 41.12 40.40 2cqv n ASP 99 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2cqv s LYS 100 N -1.32 0.19 0.21 -0.67 2.20 -1.26 -4.94 119.74 114.14 2cqv s LYS 100 Ca 0.37 -0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 2cqv s LYS 100 Cb 0.20 0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.51 2cqv s LYS 100 CO 0.24 -0.03 1.30 -1.25 -0.36 0.00 0.00 175.35 175.25 2cqv s PRO 101 N -0.36 4.40 0.07 4.03 0.04 -1.26 -5.03 135.00 136.88 2cqv s PRO 101 Ca -0.04 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 2cqv s PRO 101 Cb -0.03 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 2cqv s PRO 101 CO 0.00 -0.23 0.30 -0.51 0.04 0.00 0.00 177.00 176.60 2cqv s ASP 102 N 0.25 6.47 0.99 6.66 1.01 -1.26 -5.10 116.67 125.70 2cqv s ASP 102 Ca 0.56 0.52 -0.12 0.00 0.71 0.00 0.00 52.55 54.21 2cqv s ASP 102 Cb -0.36 -2.07 0.18 0.00 1.01 0.00 0.00 42.92 41.68 2cqv s ASP 102 CO 0.39 0.16 1.09 -2.16 0.21 0.00 0.00 175.17 174.86 2cqv s PRO 103 N -2.25 0.51 0.39 8.23 0.04 -1.26 -5.00 135.00 135.65 2cqv s PRO 103 Ca 0.34 0.55 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 2cqv s PRO 103 Cb -0.13 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2cqv s PRO 103 CO 0.22 -2.69 1.19 -1.25 0.04 0.00 0.00 177.00 174.51 2cqv s PRO 104 N -4.96 4.09 -0.23 0.56 0.04 -1.26 -5.04 135.00 128.21 2cqv s PRO 104 Ca 0.65 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 2cqv s PRO 104 Cb -0.19 -2.74 0.15 0.00 0.04 0.00 0.00 34.50 31.77 2cqv s PRO 104 CO 0.58 -0.31 1.16 0.00 0.04 0.00 0.00 177.00 178.47 2cqv s ALA 105 N -1.36 -2.02 0.00 8.56 0.00 -1.26 -5.16 121.76 120.52 2cqv s ALA 105 Ca 0.56 1.73 0.00 0.00 0.00 0.00 0.00 51.96 54.24 2cqv s ALA 105 Cb -0.32 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2cqv s ALA 105 CO 0.41 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2cqv n GLY 106 N 0.88 0.47 3.65 0.00 0.00 -1.26 -5.10 105.19 103.83 2cqv n GLY 106 Ca -0.07 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2cqv n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cqv n THR 107 N 0.00 2.47 -2.07 2.61 -2.24 -1.26 -4.86 114.28 108.92 2cqv n THR 107 Ca 0.00 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 2cqv n THR 107 Cb 0.00 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 66.89 2cqv n THR 107 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2cqv s PRO 108 N -2.07 3.20 0.35 -0.78 0.04 -1.26 -4.94 135.00 129.55 2cqv s PRO 108 Ca 0.62 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 2cqv s PRO 108 Cb -0.55 -4.21 -0.14 0.00 0.04 0.00 0.00 34.50 29.64 2cqv s PRO 108 CO 0.57 -2.02 0.13 0.45 0.04 0.00 0.00 177.00 176.17 2cqv n SER 109 N 10.62 -2.46 -2.73 6.66 2.88 -1.26 -4.96 113.62 122.37 2cqv n SER 109 Ca 0.21 0.78 -0.02 0.00 -1.33 0.00 0.00 58.87 58.50 2cqv n SER 109 Cb 0.48 -0.81 0.02 0.00 -0.75 0.00 0.00 64.21 63.15 2cqv n SER 109 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cqv s GLY 110 N -0.91 -1.69 0.00 0.46 0.00 -1.26 -5.00 107.32 98.91 2cqv s GLY 110 Ca 0.55 0.48 0.14 0.00 0.00 0.00 0.00 44.72 45.89 2cqv s GLY 110 CO 0.57 4.14 1.43 -1.55 0.00 0.00 0.00 173.10 177.69 2cqv n PRO 111 N 2.94 0.11 -1.65 2.90 -0.04 -1.26 -4.78 135.00 133.22 2cqv n PRO 111 Ca 0.12 0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 63.48 2cqv n PRO 111 Cb 0.62 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 2cqv n PRO 111 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cqv s SER 112 N -2.77 4.62 -0.30 3.54 1.04 -1.26 -5.01 113.70 113.56 2cqv s SER 112 Ca 0.11 1.21 0.15 0.00 0.48 0.00 0.00 55.95 57.89 2cqv s SER 112 Cb 0.10 -1.93 0.48 0.00 0.10 0.00 0.00 66.02 64.76 2cqv s SER 112 CO 0.24 -1.88 1.12 -1.54 0.98 0.00 0.00 173.24 172.16 2cqv n SER 113 N -3.36 3.08 0.00 7.02 3.41 -1.26 -5.26 113.62 117.26 2cqv n SER 113 Ca 0.07 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 2cqv n SER 113 Cb 0.57 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2cqv n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49