#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 3.95 -0.16 1.61 0.15 -1.26 -5.11 113.70 112.88 2cqv s SER 2 Ca 0.00 -0.36 -0.07 0.00 0.70 0.00 0.00 55.95 56.22 2cqv s SER 2 Cb 0.00 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2cqv s SER 2 CO 0.00 0.14 0.07 -0.55 1.20 0.00 0.00 173.24 174.10 2cqv s SER 3 N 0.50 5.71 0.00 5.45 0.15 -1.26 -4.99 113.70 119.26 2cqv s SER 3 Ca -0.09 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2cqv s SER 3 Cb -0.16 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2cqv s SER 3 CO 0.04 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2cqv n GLY 4 N 3.06 1.02 2.90 9.45 0.00 -1.26 -5.10 105.19 115.26 2cqv n GLY 4 Ca -0.17 0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 1.85 4.39 -0.14 1.61 1.04 -1.26 -5.08 113.70 116.11 2cqv s SER 5 Ca 0.00 -2.22 -0.08 0.00 0.48 0.00 0.00 55.95 54.13 2cqv s SER 5 Cb 0.00 -1.38 -0.04 0.00 0.10 0.00 0.00 66.02 64.70 2cqv s SER 5 CO 0.00 -0.35 0.13 -0.94 0.98 0.00 0.00 173.24 173.06 2cqv s SER 6 N 0.82 6.30 0.98 7.02 1.04 -1.26 -5.07 113.70 123.53 2cqv s SER 6 Ca 0.12 0.40 -0.20 0.00 0.48 0.00 0.00 55.95 56.76 2cqv s SER 6 Cb -0.20 -2.05 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2cqv s SER 6 CO -0.10 0.35 -0.62 0.61 0.98 0.00 0.00 173.24 174.47 2cqv n GLY 7 N 2.35 -2.53 3.77 7.32 0.00 -1.26 -4.36 105.19 110.48 2cqv n GLY 7 Ca -0.19 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.66 3.93 -0.13 1.61 0.04 -1.26 -4.59 135.00 131.94 2cqv s PRO 8 Ca 0.38 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 2cqv s PRO 8 Cb 0.00 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 32.00 2cqv s PRO 8 CO 0.53 -0.43 0.35 1.14 0.04 0.00 0.00 177.00 178.63 2cqv s GLN 9 N -2.44 0.38 -0.66 4.56 -2.07 -0.73 -4.40 119.66 114.30 2cqv s GLN 9 Ca 0.59 0.53 -0.20 0.00 -1.82 0.00 0.00 55.36 54.47 2cqv s GLN 9 Cb -0.31 0.13 0.10 0.00 -1.09 0.00 0.00 33.01 31.85 2cqv s GLN 9 CO 0.38 -0.08 0.83 0.42 -1.32 0.00 0.00 175.29 175.52 2cqv s ILE 10 N 0.47 4.72 -0.19 3.63 1.01 -1.26 -1.73 121.20 127.84 2cqv s ILE 10 Ca -0.02 -0.97 0.16 0.00 0.00 0.00 0.00 60.65 59.82 2cqv s ILE 10 Cb -0.04 -4.58 0.07 0.00 0.01 0.00 0.00 42.46 37.92 2cqv s ILE 10 CO -0.02 -1.26 1.37 0.16 0.00 0.00 0.00 174.94 175.19 2cqv h ILE 11 N 5.87 0.69 -3.17 2.92 -2.65 -1.88 -3.44 117.51 115.85 2cqv h ILE 11 Ca -0.22 -2.01 -0.65 0.00 1.03 0.00 0.00 64.86 63.01 2cqv h ILE 11 Cb 1.07 2.30 -0.35 0.00 -2.05 0.00 0.00 36.82 37.79 2cqv h ILE 11 CO 1.11 0.39 -0.86 -1.10 0.03 0.00 0.00 178.15 177.72 2cqv s GLN 12 N -3.00 2.79 -0.24 0.16 -0.21 -1.24 -5.02 119.66 112.90 2cqv s GLN 12 Ca 0.03 -0.76 -0.22 0.00 0.02 0.00 0.00 55.36 54.43 2cqv s GLN 12 Cb 0.07 -2.33 0.06 0.00 1.00 0.00 0.00 33.01 31.81 2cqv s GLN 12 CO 0.75 -0.09 0.64 0.12 -2.12 0.00 0.00 175.29 174.58 2cqv s PHE 13 N 1.03 -0.70 0.10 0.91 5.36 -1.26 -1.79 117.98 121.64 2cqv s PHE 13 Ca -0.03 1.70 -0.31 0.00 -0.96 0.00 0.00 56.93 57.33 2cqv s PHE 13 Cb -0.14 0.24 -0.08 0.00 -0.34 0.00 0.00 43.02 42.70 2cqv s PHE 13 CO -0.06 -0.34 1.36 -1.25 -1.46 0.00 0.00 175.22 173.48 2cqv s PRO 14 N 0.33 4.33 0.66 10.12 0.04 -1.26 -5.03 135.00 144.19 2cqv s PRO 14 Ca -0.00 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 2cqv s PRO 14 Cb -0.04 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.26 2cqv s PRO 14 CO 0.01 -0.42 0.98 -1.21 0.04 0.00 0.00 177.00 176.41 2cqv s GLU 15 N 1.13 2.59 -0.37 4.56 2.02 -1.26 -4.71 118.70 122.66 2cqv s GLU 15 Ca 0.64 -0.03 -0.33 0.00 0.02 0.00 0.00 54.97 55.27 2cqv s GLU 15 Cb -0.36 -2.18 -0.14 0.00 0.10 0.00 0.00 34.13 31.55 2cqv s GLU 15 CO 0.30 -1.00 1.54 -0.40 0.02 0.00 0.00 175.26 175.73 2cqv n ASP 16 N -2.81 0.59 -4.44 -0.19 5.75 -1.26 -4.78 116.55 109.42 2cqv n ASP 16 Ca 0.06 0.54 -0.31 0.00 -0.01 0.00 0.00 54.79 55.07 2cqv n ASP 16 Cb 0.59 -0.66 -0.07 0.00 -1.03 0.00 0.00 41.12 39.94 2cqv n ASP 16 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqv n GLN 17 N 5.30 0.67 -4.34 0.11 10.64 -0.81 -4.98 117.38 123.97 2cqv n GLN 17 Ca 0.39 -3.71 -0.18 0.00 -1.83 0.00 0.00 57.00 51.67 2cqv n GLN 17 Cb -0.03 1.37 -0.10 0.00 -0.86 0.00 0.00 30.24 30.62 2cqv n GLN 17 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 2cqv s LYS 18 N -3.77 1.34 -0.20 2.61 2.20 -1.26 -2.24 119.74 118.41 2cqv s LYS 18 Ca 0.08 -1.64 -0.18 0.00 -0.36 0.00 0.00 55.97 53.87 2cqv s LYS 18 Cb 0.00 -0.89 0.05 0.00 -1.51 0.00 0.00 37.83 35.49 2cqv s LYS 18 CO 0.06 0.04 0.53 0.54 -0.36 0.00 0.00 175.35 176.17 2cqv s VAL 19 N -3.18 -0.00 -0.42 4.02 0.11 0.26 -4.90 120.40 116.29 2cqv s VAL 19 Ca 0.25 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2cqv s VAL 19 Cb 0.03 -0.75 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2cqv s VAL 19 CO 0.07 0.00 1.30 -0.13 -3.33 0.00 0.00 175.10 173.02 2cqv s ARG 20 N 0.32 3.67 -0.48 1.54 1.81 -1.26 -0.63 118.95 123.92 2cqv s ARG 20 Ca -0.00 0.85 -0.29 0.00 -1.72 0.00 0.00 55.73 54.56 2cqv s ARG 20 Cb -0.04 -3.96 -0.15 0.00 -0.45 0.00 0.00 34.95 30.35 2cqv s ARG 20 CO 0.00 -1.45 1.70 0.00 -0.68 0.00 0.00 175.30 174.88 2cqv n ALA 21 N 8.33 0.18 0.00 2.13 0.00 0.28 0.14 120.51 131.56 2cqv n ALA 21 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2cqv n ALA 21 Cb 0.48 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 5.29 1.28 3.77 0.00 0.00 -0.17 -4.85 105.19 110.50 2cqv n GLY 22 Ca 0.43 0.00 -0.20 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 -1.00 0.63 -3.96 1.61 -0.58 0.12 -4.38 120.64 113.08 2cqv n GLU 23 Ca 0.00 -3.07 -0.35 0.00 -0.42 0.00 0.00 57.16 53.32 2cqv n GLU 23 Cb 0.00 -0.15 -0.13 0.00 -0.57 0.00 0.00 31.44 30.59 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 -4.43 4.63 0.45 1.62 1.04 -1.26 -3.04 113.70 112.71 2cqv s SER 24 Ca 0.55 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2cqv s SER 24 Cb -0.04 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 2cqv s SER 24 CO 0.35 0.01 0.03 0.54 0.98 0.00 0.00 173.24 175.15 2cqv s VAL 25 N 1.31 1.30 -0.29 5.02 0.11 -0.93 -4.98 120.40 121.94 2cqv s VAL 25 Ca 0.04 -2.00 -0.15 0.00 -2.93 0.00 0.00 61.98 56.93 2cqv s VAL 25 Cb -0.15 -2.46 0.12 0.00 -1.53 0.00 0.00 36.38 32.36 2cqv s VAL 25 CO 0.00 0.00 0.85 -1.83 -3.33 0.00 0.00 175.10 170.79 2cqv s GLU 26 N -3.81 0.50 -0.25 1.54 4.04 -1.26 -1.84 118.70 117.62 2cqv s GLU 26 Ca 0.19 0.92 0.03 0.00 0.04 0.00 0.00 54.97 56.14 2cqv s GLU 26 Cb 0.05 0.19 0.06 0.00 0.02 0.00 0.00 34.13 34.44 2cqv s GLU 26 CO 0.10 -0.12 -0.11 -0.51 -1.84 0.00 0.00 175.26 172.78 2cqv s LEU 27 N 1.66 3.34 -0.17 1.83 1.43 -0.67 -4.89 118.68 121.22 2cqv s LEU 27 Ca -0.09 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 51.69 2cqv s LEU 27 Cb -0.05 -1.55 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 2cqv s LEU 27 CO -0.17 -0.17 -0.13 0.12 0.23 0.00 0.00 176.35 176.22 2cqv s PHE 28 N 1.13 2.83 -0.44 0.29 5.36 -1.26 -0.11 117.98 125.78 2cqv s PHE 28 Ca -0.07 -1.02 -0.05 0.00 -0.96 0.00 0.00 56.93 54.82 2cqv s PHE 28 Cb -0.19 -1.93 0.12 0.00 -0.34 0.00 0.00 43.02 40.67 2cqv s PHE 28 CO -0.06 -0.49 0.26 0.20 -1.46 0.00 0.00 175.22 173.68 2cqv s GLY 29 N 0.94 2.03 0.02 13.12 0.00 -1.00 -4.51 107.32 117.92 2cqv s GLY 29 Ca -0.02 -2.57 -0.32 0.00 0.00 0.00 0.00 44.72 41.80 2cqv s GLY 29 CO -0.01 1.06 1.88 1.17 0.00 0.00 0.00 173.10 177.19 2cqv n LYS 30 N 4.64 2.52 -4.76 2.90 4.81 -0.74 -3.96 118.16 123.57 2cqv n LYS 30 Ca -0.03 0.92 -0.33 0.00 -0.87 0.00 0.00 58.31 58.00 2cqv n LYS 30 Cb 0.41 -2.81 -0.12 0.00 0.02 0.00 0.00 35.03 32.53 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 3.63 3.35 0.07 3.15 -7.23 0.91 -2.67 120.40 121.61 2cqv s VAL 31 Ca 0.88 -0.63 0.06 0.00 -1.81 0.00 0.00 61.98 60.49 2cqv s VAL 31 Cb -0.57 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 2cqv s VAL 31 CO 0.44 0.58 -0.17 0.28 -0.31 0.00 0.00 175.10 175.93 2cqv s THR 32 N -0.78 1.38 0.00 5.32 -1.32 -0.71 -4.66 115.64 114.87 2cqv s THR 32 Ca 0.12 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2cqv s THR 32 Cb -0.11 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2cqv s THR 32 CO 0.01 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 2cqv n GLY 33 N 1.38 -0.63 2.69 6.08 0.00 -1.26 -1.78 105.19 111.68 2cqv n GLY 33 Ca -0.20 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 0.29 0.64 2.61 2.01 -1.26 -4.88 115.64 115.05 2cqv s THR 34 Ca 0.00 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 2cqv s THR 34 Cb 0.00 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.68 2cqv s THR 34 CO 0.00 -0.20 1.09 -1.10 -0.69 0.00 0.00 174.62 173.73 2cqv s GLN 35 N 1.97 2.94 0.80 4.92 -1.52 -1.26 -4.40 119.66 123.11 2cqv s GLN 35 Ca 0.01 1.32 -0.11 0.00 -1.95 0.00 0.00 55.36 54.63 2cqv s GLN 35 Cb -0.16 -1.97 0.07 0.00 -0.22 0.00 0.00 33.01 30.72 2cqv s GLN 35 CO -0.08 -1.13 1.09 -1.25 -0.25 0.00 0.00 175.29 173.67 2cqv s PRO 36 N -4.14 2.06 -0.07 2.91 0.04 -1.26 -5.03 135.00 129.52 2cqv s PRO 36 Ca 0.66 1.10 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 2cqv s PRO 36 Cb -0.19 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2cqv s PRO 36 CO 0.41 -1.76 -0.02 0.42 0.04 0.00 0.00 177.00 176.09 2cqv s ILE 37 N -2.91 0.48 0.54 0.56 1.01 -1.26 -4.45 121.20 115.16 2cqv s ILE 37 Ca 0.62 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.09 2cqv s ILE 37 Cb -0.17 -0.58 -0.06 0.00 0.01 0.00 0.00 42.46 41.65 2cqv s ILE 37 CO 0.56 0.26 1.06 -0.89 0.00 0.00 0.00 174.94 175.93 2cqv s THR 38 N 1.61 3.69 -0.19 2.92 2.01 0.19 -4.93 115.64 120.93 2cqv s THR 38 Ca -0.00 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 62.91 2cqv s THR 38 Cb -0.13 -3.39 0.10 0.00 0.01 0.00 0.00 72.50 69.08 2cqv s THR 38 CO -0.04 -0.32 0.34 0.00 -0.69 0.00 0.00 174.62 173.91 2cqv s THR 40 N 2.51 0.89 -0.13 0.00 2.01 0.84 -4.96 115.64 116.80 2cqv s THR 40 Ca 0.04 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2cqv s THR 40 Cb -0.13 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2cqv s THR 40 CO -0.12 -0.05 -0.10 0.26 -0.69 0.00 0.00 174.62 173.92 2cqv s TRP 41 N -0.84 2.88 -0.01 4.92 0.52 -1.26 0.10 118.94 125.25 2cqv s TRP 41 Ca -0.01 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.68 2cqv s TRP 41 Cb -0.07 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2cqv s TRP 41 CO 0.01 -0.08 -0.03 -1.64 0.02 0.00 0.00 176.95 175.23 2cqv s MET 42 N 0.17 0.39 0.06 4.98 -1.94 -0.61 -0.28 119.30 122.07 2cqv s MET 42 Ca -0.05 -0.09 0.03 0.00 -1.71 0.00 0.00 55.69 53.86 2cqv s MET 42 Cb -0.15 -0.43 -0.04 0.00 2.01 0.00 0.00 34.83 36.23 2cqv s MET 42 CO 0.04 0.02 0.05 0.15 -0.01 0.00 0.00 175.02 175.27 2cqv s LYS 43 N 0.29 2.82 -1.37 2.03 -0.14 0.98 -0.88 119.74 123.48 2cqv s LYS 43 Ca -0.03 -0.69 -0.00 0.00 -1.36 0.00 0.00 55.97 53.89 2cqv s LYS 43 Cb -0.06 -2.70 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2cqv s LYS 43 CO -0.00 0.58 0.01 1.19 -0.76 0.00 0.00 175.35 176.36 2cqv n PHE 44 N 0.66 -1.11 -3.62 3.18 3.72 -1.21 0.22 117.46 119.31 2cqv n PHE 44 Ca -0.10 0.54 -0.26 0.00 -0.05 0.00 0.00 57.45 57.57 2cqv n PHE 44 Cb 0.52 -2.45 0.05 0.00 -0.94 0.00 0.00 39.48 36.66 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 -4.15 -6.36 -3.43 -1.08 5.12 -1.26 -4.97 116.66 100.53 2cqv n ARG 45 Ca -0.28 0.73 -0.11 0.00 -1.93 0.00 0.00 57.85 56.26 2cqv n ARG 45 Cb 0.61 -5.68 -0.09 0.00 -1.16 0.00 0.00 32.46 26.14 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 -6.33 0.31 0.17 5.56 2.20 0.61 -5.13 119.74 117.13 2cqv s LYS 46 Ca 0.57 0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 56.50 2cqv s LYS 46 Cb -0.27 -0.45 -0.15 0.00 -1.51 0.00 0.00 37.83 35.45 2cqv s LYS 46 CO 0.70 -0.57 0.46 0.94 -0.36 0.00 0.00 175.35 176.52 2cqv n GLN 47 N 5.36 0.00 -2.76 4.03 7.27 -1.26 -0.01 117.38 130.01 2cqv n GLN 47 Ca -0.05 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.71 2cqv n GLN 47 Cb 0.50 -0.88 -0.04 0.00 2.41 0.00 0.00 30.24 32.24 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 -0.86 4.70 -0.15 1.69 1.01 0.61 -4.60 121.20 123.60 2cqv s ILE 48 Ca 0.56 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 62.01 2cqv s ILE 48 Cb -0.82 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 2cqv s ILE 48 CO 0.49 -0.53 -0.01 0.00 0.00 0.00 0.00 174.94 174.89 2cqv s GLN 49 N -3.80 3.61 0.11 2.79 -2.07 -1.26 -4.95 119.66 114.09 2cqv s GLN 49 Ca 0.54 -0.47 -0.31 0.00 -1.82 0.00 0.00 55.36 53.30 2cqv s GLN 49 Cb -0.10 -2.95 -0.07 0.00 -1.09 0.00 0.00 33.01 28.80 2cqv s GLN 49 CO 0.29 0.33 1.28 -1.21 -1.32 0.00 0.00 175.29 174.66 2cqv s GLU 50 N 0.15 4.40 0.15 9.60 2.02 -1.26 -4.62 118.70 129.13 2cqv s GLU 50 Ca 0.00 1.93 -0.10 0.00 0.02 0.00 0.00 54.97 56.82 2cqv s GLU 50 Cb -0.13 -3.28 0.04 0.00 0.10 0.00 0.00 34.13 30.86 2cqv s GLU 50 CO 0.02 -0.30 0.51 -1.13 0.02 0.00 0.00 175.26 174.39 2cqv n SER 51 N 3.58 -1.07 0.00 -0.19 3.41 0.84 -4.95 113.62 115.23 2cqv n SER 51 Ca 0.09 -1.64 0.07 0.00 -0.26 0.00 0.00 58.87 57.12 2cqv n SER 51 Cb 0.44 1.76 0.39 0.00 -0.26 0.00 0.00 64.21 66.54 2cqv n SER 51 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2cqv n GLU 52 N -0.36 0.63 -0.02 4.33 0.28 -1.26 -2.39 120.64 121.85 2cqv n GLU 52 Ca -0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.95 2cqv n GLU 52 Cb 0.32 -1.32 -0.04 0.00 1.43 0.00 0.00 31.44 31.83 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 -0.82 0.00 -3.63 -1.84 8.25 -1.26 -4.46 115.22 111.45 2cqv n HIS 53 Ca 0.10 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.29 2cqv n HIS 53 Cb 0.04 -0.24 -0.17 0.00 1.12 0.00 0.00 29.99 30.75 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 -2.13 0.21 0.46 -0.41 -1.94 -1.01 0.41 119.30 114.90 2cqv s MET 54 Ca -0.02 -0.20 0.08 0.00 -1.71 0.00 0.00 55.69 53.83 2cqv s MET 54 Cb 0.02 -1.85 0.01 0.00 2.01 0.00 0.00 34.83 35.02 2cqv s MET 54 CO 0.20 -0.69 0.49 0.15 -0.01 0.00 0.00 175.02 175.16 2cqv s LYS 55 N 2.07 2.51 -0.12 2.03 1.02 0.80 -0.11 119.74 127.94 2cqv s LYS 55 Ca 0.02 -1.57 -0.06 0.00 0.02 0.00 0.00 55.97 54.38 2cqv s LYS 55 Cb -0.16 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2cqv s LYS 55 CO -0.11 -0.39 0.27 0.08 -0.92 0.00 0.00 175.35 174.28 2cqv s VAL 56 N -2.53 -0.08 -0.49 3.17 1.01 -1.26 -2.92 120.40 117.31 2cqv s VAL 56 Ca 0.50 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2cqv s VAL 56 Cb -0.05 -0.41 0.12 0.00 0.00 0.00 0.00 36.38 36.04 2cqv s VAL 56 CO 0.30 0.06 0.22 -0.70 0.00 0.00 0.00 175.10 174.98 2cqv s GLU 57 N 1.40 1.88 0.09 2.72 2.56 0.21 -4.96 118.70 122.60 2cqv s GLU 57 Ca -0.08 -2.49 -0.30 0.00 0.00 0.00 0.00 54.97 52.10 2cqv s GLU 57 Cb -0.10 -3.29 -0.05 0.00 2.00 0.00 0.00 34.13 32.68 2cqv s GLU 57 CO -0.09 -1.08 0.96 -0.80 -0.56 0.00 0.00 175.26 173.69 2cqv s ASN 58 N -0.07 7.47 0.30 -1.70 0.01 -1.26 -1.74 114.94 117.94 2cqv s ASN 58 Ca 0.16 1.76 -0.17 0.00 -0.71 0.00 0.00 52.86 53.90 2cqv s ASN 58 Cb -0.25 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 38.85 2cqv s ASN 58 CO -0.02 -0.10 0.66 -0.44 -1.51 0.00 0.00 177.10 175.69 2cqv s SER 59 N 0.19 -0.08 0.09 -1.22 0.01 0.13 -4.99 113.70 107.83 2cqv s SER 59 Ca 0.48 -0.86 -0.35 0.00 1.31 0.00 0.00 55.95 56.52 2cqv s SER 59 Cb -0.23 0.72 -0.16 0.00 0.21 0.00 0.00 66.02 66.56 2cqv s SER 59 CO 0.29 -1.37 1.56 -0.08 0.41 0.00 0.00 173.24 174.05 2cqv h GLU 60 N 2.07 -0.88 -1.11 12.44 4.81 -1.96 -1.56 114.58 128.40 2cqv h GLU 60 Ca -0.24 0.06 0.33 0.00 -0.13 0.00 0.00 59.36 59.37 2cqv h GLU 60 Cb 1.25 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.71 2cqv h GLU 60 CO 0.31 -0.58 0.69 -0.91 -0.73 0.00 0.00 179.01 177.79 2cqv h ASN 61 N -0.91 0.42 0.00 1.04 4.21 -1.98 -3.44 115.58 114.92 2cqv h ASN 61 Ca -0.04 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2cqv h ASN 61 Cb 0.83 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 2cqv h ASN 61 CO -0.15 -0.04 0.00 0.61 -1.29 0.00 0.00 177.43 176.56 2cqv n GLY 62 N -1.44 -0.55 3.25 2.83 0.00 -0.59 -0.07 105.19 108.63 2cqv n GLY 62 Ca 0.30 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.42 -0.08 1.61 0.15 -1.25 0.17 113.70 109.87 2cqv s SER 63 Ca 0.00 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.44 2cqv s SER 63 Cb 0.00 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 2cqv s SER 63 CO 0.00 -0.16 -0.08 -0.75 1.20 0.00 0.00 173.24 173.45 2cqv s LYS 64 N 0.72 2.87 -0.45 5.44 2.20 -0.71 -2.36 119.74 127.45 2cqv s LYS 64 Ca -0.04 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2cqv s LYS 64 Cb -0.05 -2.59 0.12 0.00 -1.51 0.00 0.00 37.83 33.79 2cqv s LYS 64 CO -0.05 0.57 0.21 -1.17 -0.36 0.00 0.00 175.35 174.55 2cqv s LEU 65 N -0.55 4.93 0.04 5.43 2.96 0.85 -0.62 118.68 131.71 2cqv s LEU 65 Ca 0.08 -2.41 -0.24 0.00 -0.22 0.00 0.00 54.13 51.35 2cqv s LEU 65 Cb -0.12 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 2cqv s LEU 65 CO 0.02 -0.40 0.71 -0.89 -1.32 0.00 0.00 176.35 174.47 2cqv s THR 66 N 0.58 4.76 -0.18 3.68 2.01 -1.15 -1.66 115.64 123.68 2cqv s THR 66 Ca 0.12 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.64 2cqv s THR 66 Cb -0.22 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2cqv s THR 66 CO -0.04 0.39 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.46 2cqv s ILE 67 N -0.18 2.21 0.12 1.82 1.01 -0.77 -0.14 121.20 125.27 2cqv s ILE 67 Ca 0.36 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 2cqv s ILE 67 Cb -0.20 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 2cqv s ILE 67 CO 0.21 0.53 0.34 -0.76 0.00 0.00 0.00 174.94 175.26 2cqv s LEU 68 N 1.21 4.29 -1.32 2.97 2.01 0.17 -2.18 118.68 125.82 2cqv s LEU 68 Ca 0.03 0.51 -0.17 0.00 0.01 0.00 0.00 54.13 54.51 2cqv s LEU 68 Cb -0.14 -3.23 0.17 0.00 0.01 0.00 0.00 46.19 43.00 2cqv s LEU 68 CO -0.10 0.08 0.41 0.00 1.01 0.00 0.00 176.35 177.75 2cqv n ALA 69 N 0.11 -0.85 -0.97 4.21 0.00 -1.17 -4.65 120.51 117.19 2cqv n ALA 69 Ca -0.03 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 2cqv n ALA 69 Cb 0.52 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.99 -2.35 -2.16 0.00 0.00 -1.21 -4.24 120.51 107.56 2cqv n ALA 70 Ca 0.08 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 2cqv n ALA 70 Cb 0.32 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.57 2.39 0.45 0.00 3.00 -1.26 -1.00 118.95 121.96 2cqv s ARG 71 Ca 0.47 -1.68 0.22 0.00 0.00 0.00 0.00 55.73 54.73 2cqv s ARG 71 Cb -0.68 -2.46 1.06 0.00 0.00 0.00 0.00 34.95 32.87 2cqv s ARG 71 CO 0.39 -0.62 1.92 0.37 0.00 0.00 0.00 175.30 177.36 2cqv h GLN 72 N 0.53 0.00 -0.21 3.54 5.75 -1.94 -2.96 115.11 119.83 2cqv h GLN 72 Ca -0.35 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.04 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 0.49 0.24 -0.30 1.05 -2.65 0.00 0.00 178.83 177.65 2cqv h GLU 73 N 0.00 0.57 -1.03 1.69 -0.00 -1.99 -3.08 114.58 110.74 2cqv h GLU 73 Ca -0.00 -0.34 0.40 0.00 -0.00 0.00 0.00 59.36 59.42 2cqv h GLU 73 Cb 0.56 0.03 -0.14 0.00 -0.00 0.00 0.00 28.75 29.20 2cqv h GLU 73 CO 0.03 0.94 0.61 0.72 -0.00 0.00 0.00 179.01 181.31 2cqv n HIS 74 N -4.33 0.86 -1.61 2.06 8.25 -1.12 -4.40 115.22 114.93 2cqv n HIS 74 Ca -0.05 0.87 -0.61 0.00 -0.26 0.00 0.00 57.72 57.66 2cqv n HIS 74 Cb 0.47 -1.29 -0.09 0.00 1.12 0.00 0.00 29.99 30.21 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 4.99 -0.76 2.89 0.00 0.00 -0.96 -5.01 105.19 106.33 2cqv n GLY 76 Ca 0.35 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.57 3.71 -0.18 0.00 1.51 -0.51 -3.30 117.35 120.16 2cqv s TYR 78 Ca -0.02 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.47 2cqv s TYR 78 Cb -0.17 -2.64 0.04 0.00 -0.11 0.00 0.00 41.96 39.09 2cqv s TYR 78 CO -0.07 0.39 -0.07 0.99 -1.11 0.00 0.00 175.55 175.67 2cqv s THR 79 N -1.42 1.35 -0.50 -0.71 2.01 -0.06 -1.38 115.64 114.93 2cqv s THR 79 Ca 0.40 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 2cqv s THR 79 Cb -0.18 -1.49 0.05 0.00 0.01 0.00 0.00 72.50 70.89 2cqv s THR 79 CO 0.22 0.14 0.66 -0.22 -0.69 0.00 0.00 174.62 174.73 2cqv s LEU 80 N 1.52 4.80 -0.17 4.42 2.96 -1.23 -1.58 118.68 129.41 2cqv s LEU 80 Ca -0.00 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 2cqv s LEU 80 Cb -0.16 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2cqv s LEU 80 CO -0.08 -0.91 0.55 -0.22 -1.32 0.00 0.00 176.35 174.37 2cqv s LEU 81 N 2.80 4.19 -0.30 -0.68 2.96 0.12 -2.41 118.68 125.35 2cqv s LEU 81 Ca 0.18 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 54.89 2cqv s LEU 81 Cb -0.18 -2.77 0.09 0.00 0.50 0.00 0.00 46.19 43.83 2cqv s LEU 81 CO 0.14 -0.15 0.02 0.68 -1.32 0.00 0.00 176.35 175.72 2cqv s VAL 82 N 1.37 1.85 -0.01 1.68 -7.23 0.67 -0.12 120.40 118.61 2cqv s VAL 82 Ca 0.27 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2cqv s VAL 82 Cb -0.16 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 2cqv s VAL 82 CO 0.11 -0.44 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.79 2cqv s GLU 83 N 1.16 2.63 0.19 4.82 2.02 -1.12 -0.82 118.70 127.58 2cqv s GLU 83 Ca 0.05 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2cqv s GLU 83 Cb -0.19 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 31.50 2cqv s GLU 83 CO -0.11 0.62 0.27 0.27 0.02 0.00 0.00 175.26 176.33 2cqv n ASN 84 N 1.62 -0.76 0.30 -0.19 6.94 -0.45 0.53 115.26 123.25 2cqv n ASN 84 Ca -0.16 -2.02 0.16 0.00 -0.02 0.00 0.00 54.58 52.54 2cqv n ASN 84 Cb 0.53 1.41 0.94 0.00 -2.36 0.00 0.00 39.78 40.30 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 0.00 0.00 -3.83 3.64 -1.84 -3.25 116.57 111.29 2cqv h LYS 85 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2cqv h LYS 85 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2cqv h LYS 85 CO 0.20 0.01 0.00 1.28 -2.27 0.00 0.00 179.45 178.67 2cqv n LEU 86 N -3.73 1.15 0.00 5.20 4.77 -1.26 -5.09 117.00 118.04 2cqv n LEU 86 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2cqv n LEU 86 Cb 0.09 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2cqv n LEU 86 CO 0.27 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2cqv n GLY 87 N 2.15 4.27 3.54 -0.72 0.00 -1.23 -4.90 105.19 108.30 2cqv n GLY 87 Ca 0.00 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 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 1.43 -0.54 0.04 1.61 1.04 -1.26 -1.35 113.70 114.67 2cqv s SER 88 Ca 0.00 0.56 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 2cqv s SER 88 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2cqv s SER 88 CO 0.00 -0.52 -0.00 -0.60 0.98 0.00 0.00 173.24 173.10 2cqv s ARG 89 N -1.28 0.52 -0.03 4.02 6.06 -0.00 -4.84 118.95 123.40 2cqv s ARG 89 Ca -0.07 -0.94 -0.01 0.00 -2.50 0.00 0.00 55.73 52.21 2cqv s ARG 89 Cb -0.00 0.19 0.02 0.00 0.06 0.00 0.00 34.95 35.21 2cqv s ARG 89 CO 0.06 -0.10 0.06 1.14 -2.50 0.00 0.00 175.30 173.96 2cqv s GLN 90 N -2.91 0.04 0.54 5.12 -2.07 -1.26 -0.24 119.66 118.88 2cqv s GLN 90 Ca -0.02 0.16 0.04 0.00 -1.82 0.00 0.00 55.36 53.72 2cqv s GLN 90 Cb 0.01 -0.09 0.03 0.00 -1.09 0.00 0.00 33.01 31.86 2cqv s GLN 90 CO -0.06 -0.09 0.32 0.00 -1.32 0.00 0.00 175.29 174.14 2cqv s ALA 91 N 0.56 4.38 -0.24 2.60 0.00 -1.01 -4.93 121.76 123.11 2cqv s ALA 91 Ca -0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2cqv s ALA 91 Cb -0.06 -0.57 0.11 0.00 0.00 0.00 0.00 23.12 22.60 2cqv s ALA 91 CO -0.02 -0.36 0.50 -0.65 0.00 0.00 0.00 175.76 175.23 2cqv s GLN 92 N -4.20 0.42 -0.07 0.00 -0.21 -1.25 -3.54 119.66 110.80 2cqv s GLN 92 Ca 0.27 1.12 0.02 0.00 0.02 0.00 0.00 55.36 56.79 2cqv s GLN 92 Cb -0.01 0.44 0.01 0.00 1.00 0.00 0.00 33.01 34.45 2cqv s GLN 92 CO 0.17 -0.30 -0.14 0.54 -2.12 0.00 0.00 175.29 173.45 2cqv s VAL 93 N 2.71 1.27 0.16 1.09 0.11 -0.48 -4.94 120.40 120.31 2cqv s VAL 93 Ca -0.00 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.25 2cqv s VAL 93 Cb -0.13 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.50 2cqv s VAL 93 CO -0.15 0.38 0.75 0.20 -3.33 0.00 0.00 175.10 172.95 2cqv s ASN 94 N 0.64 7.34 -0.03 3.54 0.01 -1.26 -1.42 114.94 123.76 2cqv s ASN 94 Ca -0.15 1.59 0.02 0.00 -0.71 0.00 0.00 52.86 53.61 2cqv s ASN 94 Cb -0.16 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2cqv s ASN 94 CO 0.04 0.21 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.57 2cqv s LEU 95 N -1.18 1.57 -0.06 0.60 2.96 -0.42 -1.93 118.68 120.22 2cqv s LEU 95 Ca 0.35 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 2cqv s LEU 95 Cb -0.22 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 2cqv s LEU 95 CO 0.25 -0.00 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.16 2cqv s THR 96 N 0.54 1.91 -0.15 3.68 2.01 -0.95 -2.27 115.64 120.41 2cqv s THR 96 Ca -0.07 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 2cqv s THR 96 Cb -0.11 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2cqv s THR 96 CO 0.00 0.53 0.01 -0.69 -0.69 0.00 0.00 174.62 173.79 2cqv s VAL 97 N -0.09 4.37 -0.06 3.82 1.01 -1.26 -0.57 120.40 127.62 2cqv s VAL 97 Ca -0.04 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2cqv s VAL 97 Cb -0.13 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2cqv s VAL 97 CO 0.04 0.50 -0.16 0.68 0.00 0.00 0.00 175.10 176.16 2cqv s VAL 98 N 0.09 1.38 -0.32 2.92 -7.23 0.20 -4.81 120.40 112.63 2cqv s VAL 98 Ca 0.02 -0.66 0.16 0.00 -1.81 0.00 0.00 61.98 59.69 2cqv s VAL 98 Cb -0.13 -1.21 0.62 0.00 0.56 0.00 0.00 36.38 36.22 2cqv s VAL 98 CO 0.02 0.40 1.53 -0.67 -0.31 0.00 0.00 175.10 176.07 2cqv n ASP 99 N 3.42 4.47 -3.62 4.85 2.03 -1.26 0.99 116.55 127.42 2cqv n ASP 99 Ca -0.20 -2.89 -0.09 0.00 0.52 0.00 0.00 54.79 52.14 2cqv n ASP 99 Cb 0.53 -0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 40.29 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 -2.63 0.47 0.22 -0.67 2.20 -1.26 -4.99 119.74 113.09 2cqv s LYS 100 Ca 0.46 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.16 2cqv s LYS 100 Cb 0.35 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.81 2cqv s LYS 100 CO 0.13 -0.09 1.29 -1.25 -0.36 0.00 0.00 175.35 175.06 2cqv s PRO 101 N -0.22 4.41 0.06 4.03 0.04 -1.26 -5.04 135.00 137.02 2cqv s PRO 101 Ca 0.02 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2cqv s PRO 101 Cb -0.04 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2cqv s PRO 101 CO -0.05 -0.20 0.02 -0.51 0.04 0.00 0.00 177.00 176.30 2cqv s ASP 102 N 0.14 5.18 0.61 6.66 1.01 -1.26 -5.11 116.67 123.90 2cqv s ASP 102 Ca 0.55 -0.08 -0.17 0.00 0.71 0.00 0.00 52.55 53.56 2cqv s ASP 102 Cb -0.36 -1.31 -0.03 0.00 1.01 0.00 0.00 42.92 42.23 2cqv s ASP 102 CO 0.40 0.21 1.12 -2.16 0.21 0.00 0.00 175.17 174.95 2cqv s PRO 103 N -2.08 3.05 0.06 8.23 0.04 -1.26 -4.98 135.00 138.05 2cqv s PRO 103 Ca 0.25 1.49 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 2cqv s PRO 103 Cb -0.12 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 2cqv s PRO 103 CO 0.17 -1.07 1.41 -1.25 0.04 0.00 0.00 177.00 176.29 2cqv s PRO 104 N -3.74 4.30 -0.97 0.56 0.04 -1.26 -4.96 135.00 128.98 2cqv s PRO 104 Ca 0.70 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.57 2cqv s PRO 104 Cb -0.22 -3.43 0.11 0.00 0.04 0.00 0.00 34.50 31.00 2cqv s PRO 104 CO 0.35 -0.52 1.23 0.00 0.04 0.00 0.00 177.00 178.11 2cqv s ALA 105 N 1.83 3.21 0.88 8.56 0.00 -1.26 -4.99 121.76 129.99 2cqv s ALA 105 Ca 0.65 -2.65 0.00 0.00 0.00 0.00 0.00 51.96 49.96 2cqv s ALA 105 Cb -0.34 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2cqv s ALA 105 CO 0.29 -3.16 0.00 0.41 0.00 0.00 0.00 175.76 173.30 2cqv n GLY 106 N 5.84 0.32 3.08 0.00 0.00 -1.26 -5.11 105.19 108.06 2cqv n GLY 106 Ca 0.27 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 2cqv n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2cqv s THR 107 N 0.29 0.88 -1.17 2.61 -1.32 -1.26 -5.07 115.64 110.60 2cqv s THR 107 Ca 0.00 -0.73 -0.23 0.00 -1.21 0.00 0.00 61.69 59.53 2cqv s THR 107 Cb 0.00 -0.78 -0.09 0.00 -1.51 0.00 0.00 72.50 70.12 2cqv s THR 107 CO 0.00 0.06 1.94 -2.16 -2.21 0.00 0.00 174.62 172.25 2cqv s PRO 108 N -0.75 2.50 -0.31 7.08 0.04 -1.26 -4.92 135.00 137.37 2cqv s PRO 108 Ca 0.01 -1.13 -0.29 0.00 0.04 0.00 0.00 61.00 59.63 2cqv s PRO 108 Cb -0.06 -5.24 -0.01 0.00 0.04 0.00 0.00 34.50 29.23 2cqv s PRO 108 CO 0.00 -3.96 1.57 0.45 0.04 0.00 0.00 177.00 175.10 2cqv s SER 109 N 6.56 6.27 -0.48 6.66 0.15 -1.26 -4.08 113.70 127.51 2cqv s SER 109 Ca 0.68 1.27 -0.28 0.00 0.70 0.00 0.00 55.95 58.32 2cqv s SER 109 Cb -0.01 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2cqv s SER 109 CO 0.13 -1.41 0.65 0.61 1.20 0.00 0.00 173.24 174.41 2cqv n GLY 110 N 4.95 -0.42 0.20 9.45 0.00 -1.26 -4.87 105.19 113.24 2cqv n GLY 110 Ca 0.19 1.13 0.06 0.00 0.00 0.00 0.00 46.02 47.40 2cqv n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqv h PRO 111 N 1.82 0.00 -5.79 1.61 0.13 -2.00 -3.43 132.00 124.34 2cqv h PRO 111 Ca -0.39 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.07 2cqv h PRO 111 Cb 1.28 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.25 2cqv h PRO 111 CO 0.23 0.34 -0.62 -1.54 -0.23 0.00 0.00 178.00 176.19 2cqv s SER 112 N -6.52 5.23 -0.27 1.44 1.04 -1.26 -5.10 113.70 108.26 2cqv s SER 112 Ca -0.01 0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 2cqv s SER 112 Cb 0.12 -1.58 0.07 0.00 0.10 0.00 0.00 66.02 64.73 2cqv s SER 112 CO 0.68 0.33 0.70 -0.44 0.98 0.00 0.00 173.24 175.49 2cqv s SER 113 N -0.57 -0.76 0.00 7.02 0.01 -1.26 -5.20 113.70 112.93 2cqv s SER 113 Ca 0.10 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.79 2cqv s SER 113 Cb -0.12 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2cqv s SER 113 CO 0.02 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.04