#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 6.73 -0.32 1.61 0.01 -1.26 -5.06 113.70 115.41 2cqv s SER 2 Ca 0.00 1.26 -0.07 0.00 1.31 0.00 0.00 55.95 58.45 2cqv s SER 2 Cb 0.00 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2cqv s SER 2 CO 0.00 -0.25 0.11 -0.55 0.41 0.00 0.00 173.24 172.95 2cqv s SER 3 N -2.45 5.27 0.00 2.44 0.15 -1.26 -4.81 113.70 113.05 2cqv s SER 3 Ca 0.54 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2cqv s SER 3 Cb -0.10 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2cqv s SER 3 CO 0.20 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2cqv n GLY 4 N 4.87 -1.19 3.67 9.45 0.00 -1.26 -5.11 105.19 115.62 2cqv n GLY 4 Ca -0.13 0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.00 6.96 -0.19 1.61 1.04 -1.26 -5.01 113.70 112.85 2cqv s SER 5 Ca 0.00 1.77 -0.03 0.00 0.48 0.00 0.00 55.95 58.17 2cqv s SER 5 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 2cqv s SER 5 CO 0.00 -0.72 -0.07 -0.44 0.98 0.00 0.00 173.24 172.99 2cqv s SER 6 N 1.88 4.24 1.01 7.02 0.01 -1.26 -5.04 113.70 121.56 2cqv s SER 6 Ca 0.56 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 57.29 2cqv s SER 6 Cb -0.23 -1.70 0.04 0.00 0.21 0.00 0.00 66.02 64.33 2cqv s SER 6 CO 0.18 0.05 -0.30 0.61 0.41 0.00 0.00 173.24 174.18 2cqv n GLY 7 N 4.33 -2.50 3.75 3.44 0.00 -1.26 -3.84 105.19 109.10 2cqv n GLY 7 Ca -0.18 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.96 4.42 -0.01 1.61 0.04 -1.25 -4.28 135.00 132.56 2cqv s PRO 8 Ca 0.40 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 2cqv s PRO 8 Cb -0.03 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.35 2cqv s PRO 8 CO 0.51 -0.16 0.18 1.14 0.04 0.00 0.00 177.00 178.71 2cqv s GLN 9 N -0.69 0.49 -0.63 4.56 -2.07 -0.49 -4.38 119.66 116.44 2cqv s GLN 9 Ca 0.53 -0.26 -0.16 0.00 -1.82 0.00 0.00 55.36 53.65 2cqv s GLN 9 Cb -0.36 0.21 0.15 0.00 -1.09 0.00 0.00 33.01 31.92 2cqv s GLN 9 CO 0.42 -0.12 0.61 0.42 -1.32 0.00 0.00 175.29 175.30 2cqv s ILE 10 N -1.15 5.26 0.11 3.63 1.01 -1.26 -1.84 121.20 126.95 2cqv s ILE 10 Ca -0.12 -1.70 0.03 0.00 0.00 0.00 0.00 60.65 58.86 2cqv s ILE 10 Cb -0.06 -4.40 -0.23 0.00 0.01 0.00 0.00 42.46 37.78 2cqv s ILE 10 CO 0.02 -0.96 1.25 0.16 0.00 0.00 0.00 174.94 175.41 2cqv h ILE 11 N 5.60 1.62 -4.47 2.92 -2.65 -1.92 -3.45 117.51 115.15 2cqv h ILE 11 Ca -0.18 -3.21 -0.63 0.00 1.03 0.00 0.00 64.86 61.87 2cqv h ILE 11 Cb 1.08 2.84 -0.30 0.00 -2.05 0.00 0.00 36.82 38.39 2cqv h ILE 11 CO 0.97 0.92 -0.87 -1.10 0.03 0.00 0.00 178.15 178.11 2cqv s GLN 12 N -2.75 1.80 -0.29 0.16 1.11 -1.24 -5.02 119.66 113.42 2cqv s GLN 12 Ca -0.01 -0.80 -0.25 0.00 0.01 0.00 0.00 55.36 54.31 2cqv s GLN 12 Cb 0.09 -1.75 0.14 0.00 -1.01 0.00 0.00 33.01 30.48 2cqv s GLN 12 CO 0.84 0.48 1.12 0.12 0.01 0.00 0.00 175.29 177.86 2cqv s PHE 13 N -0.53 -0.39 0.12 0.91 5.36 -1.26 -2.25 117.98 119.94 2cqv s PHE 13 Ca 0.09 0.94 -0.31 0.00 -0.96 0.00 0.00 56.93 56.68 2cqv s PHE 13 Cb -0.09 0.39 -0.08 0.00 -0.34 0.00 0.00 43.02 42.90 2cqv s PHE 13 CO -0.01 -0.19 1.36 -1.25 -1.46 0.00 0.00 175.22 173.67 2cqv s PRO 14 N 0.22 4.34 0.79 10.12 0.04 -1.26 -5.03 135.00 144.22 2cqv s PRO 14 Ca 0.04 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 2cqv s PRO 14 Cb -0.05 -3.25 0.16 0.00 0.04 0.00 0.00 34.50 31.40 2cqv s PRO 14 CO -0.08 -0.39 1.09 -1.83 0.04 0.00 0.00 177.00 175.82 2cqv s GLU 15 N 0.92 1.30 -0.41 4.56 -1.05 -1.26 -4.70 118.70 118.07 2cqv s GLU 15 Ca 0.63 -1.12 -0.43 0.00 -0.15 0.00 0.00 54.97 53.90 2cqv s GLU 15 Cb -0.36 -2.23 -0.18 0.00 -0.44 0.00 0.00 34.13 30.92 2cqv s GLU 15 CO 0.31 -1.76 1.76 -0.40 0.95 0.00 0.00 175.26 176.12 2cqv n ASP 16 N -3.07 1.67 -3.45 0.83 5.75 -1.26 -4.73 116.55 112.29 2cqv n ASP 16 Ca 0.17 1.04 -0.19 0.00 -0.01 0.00 0.00 54.79 55.79 2cqv n ASP 16 Cb 0.60 -1.01 -0.08 0.00 -1.03 0.00 0.00 41.12 39.61 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 3.79 1.73 0.35 0.11 -2.07 -0.78 -4.98 119.66 117.80 2cqv s GLN 17 Ca 1.05 -2.01 0.06 0.00 -1.82 0.00 0.00 55.36 52.64 2cqv s GLN 17 Cb -1.30 0.27 -0.07 0.00 -1.09 0.00 0.00 33.01 30.83 2cqv s GLN 17 CO 0.72 -0.63 0.01 0.21 -1.32 0.00 0.00 175.29 174.28 2cqv s LYS 18 N -3.50 1.76 -0.27 9.60 2.20 -1.26 -2.65 119.74 125.61 2cqv s LYS 18 Ca 0.40 -1.97 -0.22 0.00 -0.36 0.00 0.00 55.97 53.82 2cqv s LYS 18 Cb 0.03 -1.27 0.08 0.00 -1.51 0.00 0.00 37.83 35.16 2cqv s LYS 18 CO 0.26 -0.07 0.74 0.54 -0.36 0.00 0.00 175.35 176.46 2cqv s VAL 19 N -2.98 0.00 0.10 4.02 0.11 0.26 -4.87 120.40 117.05 2cqv s VAL 19 Ca 0.34 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.09 2cqv s VAL 19 Cb 0.08 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.86 2cqv s VAL 19 CO 0.16 0.00 1.25 -0.13 -3.33 0.00 0.00 175.10 173.05 2cqv s ARG 20 N 0.75 4.42 -0.33 1.54 1.81 -1.26 -1.11 118.95 124.77 2cqv s ARG 20 Ca -0.03 1.87 -0.36 0.00 -1.72 0.00 0.00 55.73 55.49 2cqv s ARG 20 Cb -0.05 -3.30 -0.12 0.00 -0.45 0.00 0.00 34.95 31.03 2cqv s ARG 20 CO -0.06 -0.27 2.10 0.00 -0.68 0.00 0.00 175.30 176.40 2cqv n ALA 21 N 3.61 0.85 0.00 2.13 0.00 0.94 -0.10 120.51 127.93 2cqv n ALA 21 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2cqv n ALA 21 Cb 0.45 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 6.11 2.05 1.74 0.00 0.00 0.39 -4.84 105.19 110.65 2cqv n GLY 22 Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 2cqv n GLY 22 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cqv n GLU 23 N -0.38 -2.62 -4.16 1.61 -0.58 0.86 -3.01 120.64 112.37 2cqv n GLU 23 Ca 0.00 -0.84 -0.27 0.00 -0.42 0.00 0.00 57.16 55.62 2cqv n GLU 23 Cb 0.00 -0.89 -0.17 0.00 -0.57 0.00 0.00 31.44 29.81 2cqv n GLU 23 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2cqv s SER 24 N -2.86 2.25 0.25 1.62 1.04 -1.26 -2.03 113.70 112.72 2cqv s SER 24 Ca 0.36 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.49 2cqv s SER 24 Cb -0.04 -0.95 -0.03 0.00 0.10 0.00 0.00 66.02 65.09 2cqv s SER 24 CO 0.28 -0.05 0.23 0.54 0.98 0.00 0.00 173.24 175.22 2cqv s VAL 25 N 1.34 4.59 -0.40 5.02 0.11 -1.11 -4.95 120.40 124.99 2cqv s VAL 25 Ca -0.01 -1.33 0.01 0.00 -2.93 0.00 0.00 61.98 57.73 2cqv s VAL 25 Cb -0.14 -3.49 0.14 0.00 -1.53 0.00 0.00 36.38 31.37 2cqv s VAL 25 CO -0.05 -0.34 0.24 -1.61 -3.33 0.00 0.00 175.10 170.00 2cqv s GLU 26 N -3.87 0.94 -0.78 1.54 2.02 -1.26 -2.50 118.70 114.78 2cqv s GLU 26 Ca 0.33 -1.72 -0.21 0.00 0.02 0.00 0.00 54.97 53.39 2cqv s GLU 26 Cb -0.08 -1.81 0.09 0.00 0.10 0.00 0.00 34.13 32.43 2cqv s GLU 26 CO 0.26 -1.20 1.06 -0.51 0.02 0.00 0.00 175.26 174.88 2cqv s LEU 27 N 0.64 4.55 -0.17 1.80 1.43 -1.09 -4.89 118.68 120.95 2cqv s LEU 27 Ca 0.19 -1.38 -0.05 0.00 -1.03 0.00 0.00 54.13 51.85 2cqv s LEU 27 Cb -0.22 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2cqv s LEU 27 CO -0.01 -1.32 0.00 0.12 0.23 0.00 0.00 176.35 175.38 2cqv s PHE 28 N 3.66 3.10 -0.43 0.29 5.36 -1.26 -0.49 117.98 128.22 2cqv s PHE 28 Ca 0.27 -0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 2cqv s PHE 28 Cb -0.11 -2.02 0.12 0.00 -0.34 0.00 0.00 43.02 40.66 2cqv s PHE 28 CO 0.02 -0.00 0.17 0.20 -1.46 0.00 0.00 175.22 174.15 2cqv s GLY 29 N 0.47 2.14 0.33 13.12 0.00 -0.56 -4.27 107.32 118.54 2cqv s GLY 29 Ca -0.01 -2.80 -0.29 0.00 0.00 0.00 0.00 44.72 41.62 2cqv s GLY 29 CO 0.02 0.99 1.34 1.17 0.00 0.00 0.00 173.10 176.62 2cqv n LYS 30 N 3.94 2.19 -4.15 2.90 4.81 -0.96 -3.47 118.16 123.43 2cqv n LYS 30 Ca 0.03 0.77 -0.16 0.00 -0.87 0.00 0.00 58.31 58.08 2cqv n LYS 30 Cb 0.39 -2.38 -0.11 0.00 0.02 0.00 0.00 35.03 32.94 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 -0.89 0.94 0.02 3.15 -7.23 0.43 -3.10 120.40 113.72 2cqv s VAL 31 Ca 0.58 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 2cqv s VAL 31 Cb -0.57 -1.04 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 2cqv s VAL 31 CO 0.60 -0.35 0.01 0.28 -0.31 0.00 0.00 175.10 175.33 2cqv s THR 32 N -1.61 0.11 0.00 5.32 -1.32 -0.77 -4.71 115.64 112.66 2cqv s THR 32 Ca -0.02 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 2cqv s THR 32 Cb -0.08 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 2cqv s THR 32 CO 0.01 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 2cqv n GLY 33 N 1.51 -0.84 2.68 6.08 0.00 -1.26 -1.40 105.19 111.96 2cqv n GLY 33 Ca -0.23 0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.24 0.67 2.61 2.01 -1.25 -4.64 115.64 114.80 2cqv s THR 34 Ca 0.00 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 2cqv s THR 34 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2cqv s THR 34 CO 0.00 -0.39 1.13 -1.10 -0.69 0.00 0.00 174.62 173.57 2cqv s GLN 35 N 2.25 2.72 0.79 4.92 -1.52 -1.26 -4.42 119.66 123.15 2cqv s GLN 35 Ca 0.07 1.46 -0.11 0.00 -1.95 0.00 0.00 55.36 54.83 2cqv s GLN 35 Cb -0.15 -1.93 0.07 0.00 -0.22 0.00 0.00 33.01 30.77 2cqv s GLN 35 CO -0.21 -1.33 1.09 -1.25 -0.25 0.00 0.00 175.29 173.35 2cqv s PRO 36 N -4.03 2.08 -0.03 2.91 0.04 -1.26 -5.09 135.00 129.62 2cqv s PRO 36 Ca 0.68 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2cqv s PRO 36 Cb -0.22 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2cqv s PRO 36 CO 0.41 -1.75 -0.04 0.42 0.04 0.00 0.00 177.00 176.08 2cqv s ILE 37 N -2.91 0.47 0.47 0.56 1.01 -1.26 -4.64 121.20 114.90 2cqv s ILE 37 Ca 0.62 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 2cqv s ILE 37 Cb -0.17 -0.48 -0.09 0.00 0.01 0.00 0.00 42.46 41.73 2cqv s ILE 37 CO 0.56 0.19 0.94 -0.89 0.00 0.00 0.00 174.94 175.74 2cqv s THR 38 N 0.69 4.53 -0.22 2.92 2.01 0.15 -4.95 115.64 120.77 2cqv s THR 38 Ca -0.09 1.21 -0.07 0.00 0.31 0.00 0.00 61.69 63.05 2cqv s THR 38 Cb -0.12 -3.68 0.10 0.00 0.01 0.00 0.00 72.50 68.81 2cqv s THR 38 CO -0.00 -0.53 0.47 0.00 -0.69 0.00 0.00 174.62 173.87 2cqv s THR 40 N 2.68 1.32 -0.32 0.00 2.01 0.92 -4.98 115.64 117.28 2cqv s THR 40 Ca -0.02 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 2cqv s THR 40 Cb -0.12 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 2cqv s THR 40 CO -0.14 0.38 0.16 0.26 -0.69 0.00 0.00 174.62 174.59 2cqv s TRP 41 N -0.01 3.19 0.12 4.92 0.52 -1.26 -0.81 118.94 125.61 2cqv s TRP 41 Ca -0.02 -0.64 0.10 0.00 0.02 0.00 0.00 56.10 55.57 2cqv s TRP 41 Cb -0.10 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 2cqv s TRP 41 CO 0.01 -0.48 -0.26 -1.64 0.02 0.00 0.00 176.95 174.61 2cqv s MET 42 N 1.60 1.33 -0.10 4.98 -1.94 -0.18 -0.66 119.30 124.33 2cqv s MET 42 Ca 0.04 -1.31 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 2cqv s MET 42 Cb -0.17 -1.78 0.02 0.00 2.01 0.00 0.00 34.83 34.91 2cqv s MET 42 CO 0.06 0.42 -0.08 0.21 -0.01 0.00 0.00 175.02 175.62 2cqv s LYS 43 N -2.02 1.50 -1.05 2.03 2.20 0.91 0.96 119.74 124.27 2cqv s LYS 43 Ca 0.12 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.42 2cqv s LYS 43 Cb -0.10 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 2cqv s LYS 43 CO 0.06 -0.20 0.90 1.19 -0.36 0.00 0.00 175.35 176.93 2cqv n PHE 44 N 4.70 -2.11 -3.44 4.03 3.72 -1.07 -2.59 117.46 120.70 2cqv n PHE 44 Ca -0.15 0.80 -0.23 0.00 -0.05 0.00 0.00 57.45 57.83 2cqv n PHE 44 Cb 0.50 -4.39 0.07 0.00 -0.94 0.00 0.00 39.48 34.73 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 -3.90 -7.09 -3.66 -1.08 5.12 -1.26 -4.99 116.66 99.79 2cqv n ARG 45 Ca -0.10 0.81 -0.10 0.00 -1.93 0.00 0.00 57.85 56.54 2cqv n ARG 45 Cb 0.59 -5.73 -0.10 0.00 -1.16 0.00 0.00 32.46 26.06 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 -6.14 0.29 0.02 5.56 2.20 -1.07 -5.13 119.74 115.47 2cqv s LYS 46 Ca 0.51 0.95 -0.36 0.00 -0.36 0.00 0.00 55.97 56.72 2cqv s LYS 46 Cb -0.23 0.22 -0.15 0.00 -1.51 0.00 0.00 37.83 36.17 2cqv s LYS 46 CO 0.63 -0.25 1.60 0.94 -0.36 0.00 0.00 175.35 177.91 2cqv n GLN 47 N 5.28 1.72 -2.35 4.03 7.27 -1.26 -0.06 117.38 132.00 2cqv n GLN 47 Ca -0.09 0.62 -0.38 0.00 0.07 0.00 0.00 57.00 57.22 2cqv n GLN 47 Cb 0.50 -2.36 -0.02 0.00 2.41 0.00 0.00 30.24 30.77 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 1.83 3.29 -0.25 1.69 1.01 0.17 -4.81 121.20 124.12 2cqv s ILE 48 Ca 0.86 1.05 -0.14 0.00 0.00 0.00 0.00 60.65 62.42 2cqv s ILE 48 Cb -0.82 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2cqv s ILE 48 CO 0.47 0.07 0.35 0.00 0.00 0.00 0.00 174.94 175.83 2cqv s GLN 49 N -2.36 4.06 0.06 2.79 -2.07 -1.26 -4.93 119.66 115.94 2cqv s GLN 49 Ca 0.58 0.03 -0.30 0.00 -1.82 0.00 0.00 55.36 53.84 2cqv s GLN 49 Cb -0.28 -3.61 -0.09 0.00 -1.09 0.00 0.00 33.01 27.93 2cqv s GLN 49 CO 0.36 -0.18 1.82 -1.21 -1.32 0.00 0.00 175.29 174.76 2cqv s GLU 50 N 1.77 4.16 0.19 9.60 2.02 -1.26 -4.65 118.70 130.53 2cqv s GLU 50 Ca 0.15 2.50 -0.23 0.00 0.02 0.00 0.00 54.97 57.41 2cqv s GLU 50 Cb -0.15 -3.85 0.05 0.00 0.10 0.00 0.00 34.13 30.28 2cqv s GLU 50 CO 0.09 -0.86 0.70 0.45 0.02 0.00 0.00 175.26 175.65 2cqv s SER 51 N 3.37 -0.41 0.66 -0.19 0.15 0.84 -4.96 113.70 113.16 2cqv s SER 51 Ca 0.81 -0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.44 2cqv s SER 51 Cb -0.42 0.62 1.27 0.00 -1.71 0.00 0.00 66.02 65.78 2cqv s SER 51 CO 0.37 -1.07 1.72 1.05 1.20 0.00 0.00 173.24 176.50 2cqv h GLU 52 N 2.00 0.00 0.18 5.44 4.11 -1.97 0.61 114.58 124.94 2cqv h GLU 52 Ca -0.27 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.82 2cqv h GLU 52 Cb 1.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 2cqv h GLU 52 CO 0.31 0.00 -1.74 0.45 0.07 0.00 0.00 179.01 178.09 2cqv h HIS 53 N 0.00 0.67 -3.06 2.06 3.86 -1.90 -3.37 115.15 113.41 2cqv h HIS 53 Ca 0.02 -0.49 -0.56 0.00 -1.16 0.00 0.00 60.37 58.18 2cqv h HIS 53 Cb 1.02 -0.03 -0.40 0.00 1.06 0.00 0.00 27.41 29.06 2cqv h HIS 53 CO 0.00 1.65 -0.76 -1.64 0.86 0.00 0.00 177.93 178.03 2cqv s MET 54 N -2.58 0.55 0.44 2.45 -1.94 0.21 0.24 119.30 118.67 2cqv s MET 54 Ca -0.15 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.03 2cqv s MET 54 Cb 0.06 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 35.16 2cqv s MET 54 CO 0.85 -0.96 0.62 0.15 -0.01 0.00 0.00 175.02 175.66 2cqv s LYS 55 N 1.79 2.83 -0.09 2.03 1.02 -0.01 -0.11 119.74 127.20 2cqv s LYS 55 Ca 0.09 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 55.03 2cqv s LYS 55 Cb -0.17 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2cqv s LYS 55 CO -0.27 -0.33 0.20 0.08 -0.92 0.00 0.00 175.35 174.11 2cqv s VAL 56 N -2.45 -0.08 -0.60 3.17 1.01 -1.26 -2.36 120.40 117.83 2cqv s VAL 56 Ca 0.53 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2cqv s VAL 56 Cb -0.10 -0.32 0.15 0.00 0.00 0.00 0.00 36.38 36.11 2cqv s VAL 56 CO 0.35 0.08 0.36 -0.70 0.00 0.00 0.00 175.10 175.19 2cqv s GLU 57 N 1.37 2.18 0.24 2.72 2.56 -0.19 -4.95 118.70 122.63 2cqv s GLU 57 Ca -0.08 -2.94 -0.27 0.00 0.00 0.00 0.00 54.97 51.68 2cqv s GLU 57 Cb -0.11 -3.34 -0.09 0.00 2.00 0.00 0.00 34.13 32.59 2cqv s GLU 57 CO -0.07 -1.19 0.89 0.54 -0.56 0.00 0.00 175.26 174.86 2cqv s ASN 58 N -0.80 7.48 0.12 -1.70 2.20 -1.26 -2.71 114.94 118.27 2cqv s ASN 58 Ca 0.21 1.81 -0.13 0.00 -0.94 0.00 0.00 52.86 53.81 2cqv s ASN 58 Cb -0.16 -2.56 0.04 0.00 -2.00 0.00 0.00 41.25 36.57 2cqv s ASN 58 CO -0.08 0.12 0.61 -1.54 -2.94 0.00 0.00 177.10 173.27 2cqv n SER 59 N 1.27 -1.08 -0.21 3.54 3.41 0.76 -4.99 113.62 116.33 2cqv n SER 59 Ca -0.02 -1.58 0.01 0.00 -0.26 0.00 0.00 58.87 57.02 2cqv n SER 59 Cb 0.48 1.75 0.12 0.00 -0.26 0.00 0.00 64.21 66.31 2cqv n SER 59 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2cqv h GLU 60 N 0.00 0.38 -0.91 4.33 4.81 -1.96 -0.45 114.58 120.78 2cqv h GLU 60 Ca -0.17 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2cqv h GLU 60 Cb 0.72 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 2cqv h GLU 60 CO 0.22 0.25 0.59 -0.91 -0.73 0.00 0.00 179.01 178.43 2cqv h ASN 61 N 0.39 0.86 0.00 1.04 4.21 -1.96 -3.43 115.58 116.70 2cqv h ASN 61 Ca 0.33 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.86 2cqv h ASN 61 Cb 0.44 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 2cqv h ASN 61 CO -0.34 0.53 0.00 0.61 -1.29 0.00 0.00 177.43 176.93 2cqv n GLY 62 N -1.40 -0.21 3.07 2.83 0.00 -0.18 -0.43 105.19 108.89 2cqv n GLY 62 Ca 0.15 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.28 -0.09 1.61 0.15 -1.23 -0.17 113.70 109.70 2cqv s SER 63 Ca 0.00 0.54 0.03 0.00 0.70 0.00 0.00 55.95 57.22 2cqv s SER 63 Cb 0.00 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 2cqv s SER 63 CO 0.00 -0.16 -0.18 -0.75 1.20 0.00 0.00 173.24 173.35 2cqv s LYS 64 N 1.18 2.92 -0.48 5.44 2.20 -1.10 -1.50 119.74 128.40 2cqv s LYS 64 Ca -0.09 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.72 2cqv s LYS 64 Cb -0.10 -2.40 0.13 0.00 -1.51 0.00 0.00 37.83 33.95 2cqv s LYS 64 CO -0.08 0.34 0.28 -1.17 -0.36 0.00 0.00 175.35 174.36 2cqv s LEU 65 N -0.02 5.23 -0.26 5.43 2.96 0.36 -1.02 118.68 131.36 2cqv s LEU 65 Ca -0.05 -2.31 -0.23 0.00 -0.22 0.00 0.00 54.13 51.32 2cqv s LEU 65 Cb -0.15 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2cqv s LEU 65 CO 0.05 -0.48 0.75 -0.89 -1.32 0.00 0.00 176.35 174.45 2cqv s THR 66 N 0.73 4.88 -0.36 3.68 2.01 -1.00 -2.67 115.64 122.92 2cqv s THR 66 Ca 0.11 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.32 2cqv s THR 66 Cb -0.22 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2cqv s THR 66 CO -0.04 -0.08 0.21 -0.63 -0.69 0.00 0.00 174.62 173.39 2cqv s ILE 67 N 2.75 4.77 0.17 1.82 1.01 -1.04 -0.83 121.20 129.85 2cqv s ILE 67 Ca 0.31 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 2cqv s ILE 67 Cb -0.15 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 2cqv s ILE 67 CO 0.09 -0.13 0.55 -0.76 0.00 0.00 0.00 174.94 174.69 2cqv s LEU 68 N 1.61 4.29 -1.43 2.97 2.01 0.14 -2.77 118.68 125.50 2cqv s LEU 68 Ca 0.04 1.03 -0.01 0.00 0.01 0.00 0.00 54.13 55.19 2cqv s LEU 68 Cb -0.18 -3.39 0.01 0.00 0.01 0.00 0.00 46.19 42.64 2cqv s LEU 68 CO 0.07 0.05 0.43 0.00 1.01 0.00 0.00 176.35 177.91 2cqv n ALA 69 N 0.52 -1.96 -1.14 4.21 0.00 -1.15 -4.66 120.51 116.34 2cqv n ALA 69 Ca -0.04 -0.25 -0.47 0.00 0.00 0.00 0.00 53.44 52.68 2cqv n ALA 69 Cb 0.52 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 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 -4.41 -0.63 -1.99 0.00 0.00 -0.86 -4.15 120.51 108.46 2cqv n ALA 70 Ca -0.29 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2cqv n ALA 70 Cb 0.67 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 2.78 2.53 0.42 0.00 0.52 -1.26 0.15 118.95 124.09 2cqv s ARG 71 Ca 0.78 -1.00 0.18 0.00 -0.52 0.00 0.00 55.73 55.16 2cqv s ARG 71 Cb -1.07 -2.56 0.95 0.00 0.52 0.00 0.00 34.95 32.79 2cqv s ARG 71 CO 0.55 -0.66 1.91 0.37 0.02 0.00 0.00 175.30 177.48 2cqv h GLN 72 N 0.19 0.00 -0.09 3.54 5.75 -1.94 -2.99 115.11 119.57 2cqv h GLN 72 Ca -0.40 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.99 2cqv h GLN 72 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2cqv h GLN 72 CO 0.48 0.27 -0.35 1.05 -2.65 0.00 0.00 178.83 177.63 2cqv h GLU 73 N 0.00 0.40 -0.84 1.69 -0.00 -1.99 -3.18 114.58 110.67 2cqv h GLU 73 Ca -0.00 -0.31 0.34 0.00 -0.00 0.00 0.00 59.36 59.39 2cqv h GLU 73 Cb 0.55 0.06 -0.15 0.00 -0.00 0.00 0.00 28.75 29.20 2cqv h GLU 73 CO 0.04 0.94 0.42 0.72 -0.00 0.00 0.00 179.01 181.13 2cqv n HIS 74 N -4.38 0.95 -1.68 2.06 8.25 -1.13 -4.36 115.22 114.93 2cqv n HIS 74 Ca -0.08 0.99 -0.59 0.00 -0.26 0.00 0.00 57.72 57.78 2cqv n HIS 74 Cb 0.52 -1.38 -0.08 0.00 1.12 0.00 0.00 29.99 30.16 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 4.49 -0.65 2.99 0.00 0.00 -0.74 -4.97 105.19 106.31 2cqv n GLY 76 Ca 0.30 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.78 2.46 -0.18 0.00 1.51 -0.23 -2.58 117.35 117.55 2cqv s TYR 78 Ca -0.06 -0.69 -0.07 0.00 -1.01 0.00 0.00 57.07 55.24 2cqv s TYR 78 Cb -0.06 -1.78 0.08 0.00 -0.11 0.00 0.00 41.96 40.08 2cqv s TYR 78 CO -0.00 0.40 0.39 0.99 -1.11 0.00 0.00 175.55 176.22 2cqv s THR 79 N -2.71 -0.44 -0.40 -0.71 2.01 0.27 -2.26 115.64 111.40 2cqv s THR 79 Ca 0.33 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.35 2cqv s THR 79 Cb 0.09 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2cqv s THR 79 CO 0.17 0.07 0.29 -0.22 -0.69 0.00 0.00 174.62 174.24 2cqv s LEU 80 N 2.24 5.00 -0.29 4.42 2.96 -1.20 -1.01 118.68 130.80 2cqv s LEU 80 Ca -0.04 -0.82 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 2cqv s LEU 80 Cb -0.11 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2cqv s LEU 80 CO -0.12 -0.41 0.16 -0.22 -1.32 0.00 0.00 176.35 174.44 2cqv s LEU 81 N 1.69 3.97 -0.28 -0.68 2.96 0.01 -1.86 118.68 124.48 2cqv s LEU 81 Ca 0.05 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2cqv s LEU 81 Cb -0.19 -2.06 0.06 0.00 0.50 0.00 0.00 46.19 44.51 2cqv s LEU 81 CO 0.10 -0.10 -0.05 0.68 -1.32 0.00 0.00 176.35 175.66 2cqv s VAL 82 N 1.70 2.48 -0.00 1.68 -7.23 0.13 -0.06 120.40 119.10 2cqv s VAL 82 Ca 0.06 -1.62 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2cqv s VAL 82 Cb -0.16 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2cqv s VAL 82 CO 0.08 -0.12 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.10 2cqv s GLU 83 N 1.14 2.62 0.06 4.82 2.02 -1.04 -0.52 118.70 127.80 2cqv s GLU 83 Ca -0.06 -0.68 -0.13 0.00 0.02 0.00 0.00 54.97 54.12 2cqv s GLU 83 Cb -0.20 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.50 2cqv s GLU 83 CO -0.04 0.61 0.29 1.21 0.02 0.00 0.00 175.26 177.35 2cqv s ASN 84 N -1.42 -0.08 0.49 -0.19 2.47 0.05 0.31 114.94 116.57 2cqv s ASN 84 Ca 0.17 -0.31 0.43 0.00 0.42 0.00 0.00 52.86 53.57 2cqv s ASN 84 Cb -0.11 0.36 1.55 0.00 -1.45 0.00 0.00 41.25 41.60 2cqv s ASN 84 CO 0.08 -0.67 1.44 2.29 -3.72 0.00 0.00 177.10 176.53 2cqv n LYS 85 N 0.35 -0.01 0.00 0.43 2.85 -1.26 -1.60 118.16 118.92 2cqv n LYS 85 Ca -0.18 1.04 0.00 0.00 -1.05 0.00 0.00 58.31 58.13 2cqv n LYS 85 Cb 0.61 -2.31 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 2cqv n LYS 85 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2cqv n LEU 86 N -3.97 1.07 0.00 -5.58 4.77 -1.26 -5.07 117.00 106.96 2cqv n LEU 86 Ca 0.40 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 2cqv n LEU 86 Cb 1.77 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 42.60 2cqv n LEU 86 CO 0.35 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2cqv n GLY 87 N 1.43 4.89 3.60 -0.72 0.00 -0.63 -4.97 105.19 108.80 2cqv n GLY 87 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 1.16 -0.25 0.10 1.61 1.04 -1.26 -0.77 113.70 115.33 2cqv s SER 88 Ca 0.00 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 2cqv s SER 88 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2cqv s SER 88 CO 0.00 -0.64 0.33 -0.60 0.98 0.00 0.00 173.24 173.31 2cqv s ARG 89 N -3.03 0.96 -0.11 4.02 6.06 0.32 -4.85 118.95 122.31 2cqv s ARG 89 Ca 0.09 -0.71 -0.07 0.00 -2.50 0.00 0.00 55.73 52.53 2cqv s ARG 89 Cb -0.01 0.41 0.04 0.00 0.06 0.00 0.00 34.95 35.46 2cqv s ARG 89 CO -0.05 -0.35 0.28 1.14 -2.50 0.00 0.00 175.30 173.82 2cqv s GLN 90 N -3.51 0.27 0.30 5.12 -2.07 -1.26 -0.69 119.66 117.82 2cqv s GLN 90 Ca 0.02 0.51 0.00 0.00 -1.82 0.00 0.00 55.36 54.06 2cqv s GLN 90 Cb 0.02 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.93 2cqv s GLN 90 CO -0.10 -0.12 0.00 0.00 -1.32 0.00 0.00 175.29 173.76 2cqv n ALA 91 N 3.77 0.26 -3.50 2.60 0.00 -0.78 -4.94 120.51 117.93 2cqv n ALA 91 Ca -0.21 -1.37 -0.14 0.00 0.00 0.00 0.00 53.44 51.73 2cqv n ALA 91 Cb 0.55 0.74 -0.08 0.00 0.00 0.00 0.00 19.45 20.67 2cqv n ALA 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2cqv s GLN 92 N -3.10 0.76 -0.09 0.00 -0.21 -1.26 -3.23 119.66 112.53 2cqv s GLN 92 Ca 0.00 0.71 -0.05 0.00 0.02 0.00 0.00 55.36 56.04 2cqv s GLN 92 Cb -0.00 0.37 0.04 0.00 1.00 0.00 0.00 33.01 34.42 2cqv s GLN 92 CO 0.00 -0.12 0.21 0.54 -2.12 0.00 0.00 175.29 173.80 2cqv s VAL 93 N 0.02 -0.04 -0.14 1.09 0.11 -0.96 -4.92 120.40 115.55 2cqv s VAL 93 Ca -0.02 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 2cqv s VAL 93 Cb -0.04 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2cqv s VAL 93 CO 0.02 0.06 0.47 0.20 -3.33 0.00 0.00 175.10 172.52 2cqv s ASN 94 N 1.14 6.63 0.17 3.54 0.01 -1.26 -1.07 114.94 124.09 2cqv s ASN 94 Ca -0.08 0.75 0.11 0.00 -0.71 0.00 0.00 52.86 52.93 2cqv s ASN 94 Cb -0.10 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 2cqv s ASN 94 CO -0.07 -0.04 -0.25 -0.22 -1.51 0.00 0.00 177.10 175.01 2cqv s LEU 95 N 0.89 2.39 -0.00 0.60 2.96 0.53 -1.87 118.68 124.18 2cqv s LEU 95 Ca 0.25 -0.82 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 2cqv s LEU 95 Cb -0.15 -1.18 -0.00 0.00 0.50 0.00 0.00 46.19 45.36 2cqv s LEU 95 CO 0.10 0.14 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.35 2cqv s THR 96 N -1.46 0.24 -0.12 3.68 2.01 -1.09 -1.79 115.64 117.12 2cqv s THR 96 Ca 0.18 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.04 2cqv s THR 96 Cb -0.09 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2cqv s THR 96 CO 0.08 0.08 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.37 2cqv s VAL 97 N 0.01 4.00 -0.09 3.82 1.01 -1.26 -0.58 120.40 127.32 2cqv s VAL 97 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2cqv s VAL 97 Cb -0.02 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2cqv s VAL 97 CO -0.00 0.54 -0.04 0.68 0.00 0.00 0.00 175.10 176.28 2cqv s VAL 98 N -0.17 0.70 -1.25 2.92 -7.23 -0.27 -4.84 120.40 110.26 2cqv s VAL 98 Ca 0.04 -0.08 0.12 0.00 -1.81 0.00 0.00 61.98 60.24 2cqv s VAL 98 Cb -0.13 -0.79 0.47 0.00 0.56 0.00 0.00 36.38 36.49 2cqv s VAL 98 CO 0.02 0.32 1.32 -0.67 -0.31 0.00 0.00 175.10 175.78 2cqv n ASP 99 N 5.04 3.27 -4.78 4.85 2.03 -1.26 -0.04 116.55 125.65 2cqv n ASP 99 Ca -0.10 -2.30 -0.33 0.00 0.52 0.00 0.00 54.79 52.59 2cqv n ASP 99 Cb 0.50 -0.47 0.04 0.00 -0.72 0.00 0.00 41.12 40.47 2cqv n ASP 99 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cqv s LYS 100 N -1.75 2.95 1.14 -0.67 1.02 -1.26 -4.93 119.74 116.24 2cqv s LYS 100 Ca 0.33 1.28 -0.17 0.00 0.02 0.00 0.00 55.97 57.43 2cqv s LYS 100 Cb 0.21 -1.98 0.26 0.00 -0.52 0.00 0.00 37.83 35.80 2cqv s LYS 100 CO 0.16 -1.11 1.10 -1.25 -0.92 0.00 0.00 175.35 173.33 2cqv s PRO 101 N -4.21 -0.72 -0.08 -1.68 0.04 -1.26 -4.95 135.00 122.14 2cqv s PRO 101 Ca 0.65 0.12 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 2cqv s PRO 101 Cb -0.18 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2cqv s PRO 101 CO 0.42 -3.42 0.09 0.34 0.04 0.00 0.00 177.00 174.47 2cqv s ASP 102 N -3.74 5.89 0.43 6.66 2.15 -1.26 -5.09 116.67 121.71 2cqv s ASP 102 Ca 0.69 0.30 -0.24 0.00 0.43 0.00 0.00 52.55 53.74 2cqv s ASP 102 Cb -0.13 -1.80 -0.08 0.00 -0.30 0.00 0.00 42.92 40.62 2cqv s ASP 102 CO 0.57 0.37 1.18 -2.16 -0.17 0.00 0.00 175.17 174.95 2cqv s PRO 103 N -1.14 3.88 -0.86 4.34 0.04 -1.26 -4.92 135.00 135.09 2cqv s PRO 103 Ca 0.16 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 2cqv s PRO 103 Cb -0.12 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 2cqv s PRO 103 CO 0.06 -0.46 1.94 -1.25 0.04 0.00 0.00 177.00 177.33 2cqv s PRO 104 N -2.51 2.56 0.16 0.56 0.04 -1.26 -4.95 135.00 129.60 2cqv s PRO 104 Ca 0.61 -0.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.18 2cqv s PRO 104 Cb -0.30 -4.96 -0.09 0.00 0.04 0.00 0.00 34.50 29.19 2cqv s PRO 104 CO 0.37 -3.29 1.48 0.00 0.04 0.00 0.00 177.00 175.60 2cqv s ALA 105 N 9.96 3.68 0.00 8.56 0.00 -1.26 -4.88 121.76 137.81 2cqv s ALA 105 Ca 0.70 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2cqv s ALA 105 Cb -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2cqv s ALA 105 CO 0.02 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2cqv n GLY 106 N 3.43 -0.71 3.65 0.00 0.00 -1.26 -5.12 105.19 105.19 2cqv n GLY 106 Ca 0.12 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2cqv n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cqv s THR 107 N -3.90 4.94 -1.61 2.61 -4.23 -1.26 -4.92 115.64 107.26 2cqv s THR 107 Ca 0.00 1.36 0.15 0.00 -1.18 0.00 0.00 61.69 62.02 2cqv s THR 107 Cb 0.00 -4.02 0.32 0.00 1.34 0.00 0.00 72.50 70.13 2cqv s THR 107 CO 0.00 0.03 1.39 -0.81 -0.54 0.00 0.00 174.62 174.69 2cqv n PRO 108 N 5.47 0.30 -0.93 3.99 -0.04 -1.26 -4.81 135.00 137.71 2cqv n PRO 108 Ca 0.02 0.10 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 2cqv n PRO 108 Cb 0.49 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.59 2cqv n PRO 108 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqv s SER 109 N -2.39 3.38 0.00 3.54 0.15 -1.26 -5.03 113.70 112.08 2cqv s SER 109 Ca 0.17 1.95 0.00 0.00 0.70 0.00 0.00 55.95 58.77 2cqv s SER 109 Cb 0.10 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2cqv s SER 109 CO 0.21 -2.77 0.00 0.61 1.20 0.00 0.00 173.24 172.49 2cqv n GLY 110 N -0.37 0.89 3.56 9.45 0.00 -1.26 -4.66 105.19 112.80 2cqv n GLY 110 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.57 -0.06 1.61 0.04 -1.26 -4.91 135.00 133.00 2cqv s PRO 111 Ca 0.00 -0.12 -0.31 0.00 0.04 0.00 0.00 61.00 60.61 2cqv s PRO 111 Cb 0.00 -4.93 -0.15 0.00 0.04 0.00 0.00 34.50 29.46 2cqv s PRO 111 CO 0.00 -3.25 0.86 -1.13 0.04 0.00 0.00 177.00 173.52 2cqv n SER 112 N 13.73 0.13 -4.02 6.66 3.41 -1.26 -4.84 113.62 127.43 2cqv n SER 112 Ca 0.36 0.87 -0.28 0.00 -0.26 0.00 0.00 58.87 59.56 2cqv n SER 112 Cb 0.48 -0.68 0.16 0.00 -0.26 0.00 0.00 64.21 63.91 2cqv n SER 112 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cqv n SER 113 N 1.41 -2.66 0.00 4.04 7.64 -1.26 -5.22 113.62 117.57 2cqv n SER 113 Ca 0.16 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2cqv n SER 113 Cb 0.04 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2cqv n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64