#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa4 s GLY 3 N 0.00 -0.42 -0.34 -0.02 0.00 -1.26 -5.12 107.32 100.16 1qa4 s GLY 3 Ca 0.00 1.79 0.04 0.00 0.00 0.00 0.00 44.72 46.56 1qa4 s GLY 3 CO 0.00 1.89 0.48 -1.59 0.00 0.00 0.00 173.10 173.88 1qa4 s LYS 4 N 1.45 0.59 0.00 2.90 -2.85 -1.26 -5.15 119.74 115.43 1qa4 s LYS 4 Ca -0.09 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1qa4 s LYS 4 Cb -0.07 -0.23 -0.00 0.00 -2.06 0.00 0.00 37.83 35.47 1qa4 s LYS 4 CO -0.15 -1.12 -0.00 -1.58 0.10 0.00 0.00 175.35 172.60 1qa4 s TRP 5 N 2.13 0.04 -0.80 1.78 0.51 -1.26 -5.10 118.94 116.25 1qa4 s TRP 5 Ca 0.13 -0.06 -0.26 0.00 -2.12 0.00 0.00 56.10 53.79 1qa4 s TRP 5 Cb -0.11 -0.03 0.03 0.00 -0.81 0.00 0.00 33.47 32.56 1qa4 s TRP 5 CO -0.17 -0.02 1.35 0.45 -0.51 0.00 0.00 176.95 178.04 1qa4 s SER 6 N -0.15 6.19 -0.24 2.95 0.15 -1.26 -4.97 113.70 116.37 1qa4 s SER 6 Ca -0.02 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 56.01 1qa4 s SER 6 Cb -0.01 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1qa4 s SER 6 CO -0.00 -1.80 -0.12 -0.54 1.20 0.00 0.00 173.24 171.98 1qa4 s LYS 7 N 5.63 2.43 -0.05 5.44 3.01 -1.26 -5.10 119.74 129.83 1qa4 s LYS 7 Ca 0.39 -1.22 -0.04 0.00 -1.01 0.00 0.00 55.97 54.08 1qa4 s LYS 7 Cb -0.06 -2.83 0.02 0.00 -1.01 0.00 0.00 37.83 33.94 1qa4 s LYS 7 CO 0.09 -0.49 0.14 0.45 0.51 0.00 0.00 175.35 176.05 1qa4 s SER 8 N 1.15 -0.13 -0.14 2.83 0.15 -1.26 -5.15 113.70 111.14 1qa4 s SER 8 Ca -0.06 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.80 1qa4 s SER 8 Cb -0.18 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.44 1qa4 s SER 8 CO -0.07 -0.07 0.33 -0.94 1.20 0.00 0.00 173.24 173.69 1qa4 s SER 9 N 0.36 -0.32 0.05 5.45 1.04 -1.26 -5.16 113.70 113.85 1qa4 s SER 9 Ca -0.02 0.72 0.06 0.00 0.48 0.00 0.00 55.95 57.18 1qa4 s SER 9 Cb -0.04 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1qa4 s SER 9 CO -0.01 -0.19 -0.17 0.54 0.98 0.00 0.00 173.24 174.39 1qa4 s VAL 10 N 1.49 1.33 -0.05 5.02 0.11 -1.26 -5.15 120.40 121.90 1qa4 s VAL 10 Ca -0.08 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 57.86 1qa4 s VAL 10 Cb -0.10 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1qa4 s VAL 10 CO -0.11 0.02 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.78 1qa4 s VAL 11 N -0.93 2.38 -0.25 2.04 1.01 -1.26 -5.11 120.40 118.27 1qa4 s VAL 11 Ca 0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1qa4 s VAL 11 Cb -0.09 -1.89 0.14 0.00 0.00 0.00 0.00 36.38 34.55 1qa4 s VAL 11 CO 0.02 0.57 0.46 -0.83 0.00 0.00 0.00 175.10 175.32 1qa4 s GLY 12 N -0.36 -0.58 -0.02 4.51 0.00 -1.26 -5.16 107.32 104.46 1qa4 s GLY 12 Ca 0.03 1.32 -0.08 0.00 0.00 0.00 0.00 44.72 45.99 1qa4 s GLY 12 CO 0.02 2.84 0.17 0.66 0.00 0.00 0.00 173.10 176.79 1qa4 s TRP 13 N 2.66 -0.05 0.20 1.90 1.48 -1.26 -5.15 118.94 118.72 1qa4 s TRP 13 Ca 0.12 0.07 -0.30 0.00 -1.06 0.00 0.00 56.10 54.93 1qa4 s TRP 13 Cb -0.15 -0.00 -0.08 0.00 -1.16 0.00 0.00 33.47 32.08 1qa4 s TRP 13 CO -0.17 -0.26 1.14 -1.25 -4.06 0.00 0.00 176.95 172.35 1qa4 s PRO 14 N -1.03 4.56 -0.26 3.25 0.04 -1.26 -5.04 135.00 135.26 1qa4 s PRO 14 Ca -0.11 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1qa4 s PRO 14 Cb -0.06 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.32 1qa4 s PRO 14 CO 0.02 0.03 0.61 0.00 0.04 0.00 0.00 177.00 177.70 1qa4 s ALA 15 N -0.35 -1.72 0.11 8.56 0.00 -1.26 -5.07 121.76 122.03 1qa4 s ALA 15 Ca 0.50 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.65 1qa4 s ALA 15 Cb -0.31 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1qa4 s ALA 15 CO 0.37 -0.51 0.00 1.55 0.00 0.00 0.00 175.76 177.17 1qa4 n VAL 16 N 4.63 0.46 0.00 0.00 3.14 -1.26 -5.16 118.33 120.14 1qa4 n VAL 16 Ca -0.18 0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1qa4 n VAL 16 Cb 0.56 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 1qa4 n VAL 16 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1qa4 n ARG 17 N -3.24 0.00 -3.68 1.45 1.74 -1.26 -5.18 116.66 106.49 1qa4 n ARG 17 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1qa4 n ARG 17 Cb 0.11 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.46 1qa4 n ARG 17 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1qa4 s GLU 18 N -2.00 0.60 -0.47 5.56 -6.30 -1.26 -5.12 118.70 109.71 1qa4 s GLU 18 Ca 0.00 0.85 0.03 0.00 -2.50 0.00 0.00 54.97 53.35 1qa4 s GLU 18 Cb 0.00 0.21 0.15 0.00 0.00 0.00 0.00 34.13 34.49 1qa4 s GLU 18 CO 0.00 -0.11 0.32 -0.98 0.02 0.00 0.00 175.26 174.51 1qa4 s ARG 19 N 0.77 1.32 -0.18 4.30 1.04 -1.26 -5.10 118.95 119.83 1qa4 s ARG 19 Ca -0.04 -2.23 -0.13 0.00 -1.04 0.00 0.00 55.73 52.29 1qa4 s ARG 19 Cb -0.05 -2.15 -0.05 0.00 -2.04 0.00 0.00 34.95 30.66 1qa4 s ARG 19 CO -0.06 -1.26 0.24 1.41 -0.04 0.00 0.00 175.30 175.59 1qa4 s MET 20 N -0.02 4.21 -0.18 3.89 1.75 -1.26 -5.07 119.30 122.62 1qa4 s MET 20 Ca 0.24 -0.02 -0.07 0.00 -1.25 0.00 0.00 55.69 54.59 1qa4 s MET 20 Cb -0.11 -3.45 0.08 0.00 2.84 0.00 0.00 34.83 34.19 1qa4 s MET 20 CO -0.09 0.21 0.38 -0.98 -0.65 0.00 0.00 175.02 173.89 1qa4 s ARG 21 N 0.58 0.31 0.10 4.11 3.03 -1.26 -5.16 118.95 120.66 1qa4 s ARG 21 Ca 0.13 0.91 -0.01 0.00 2.03 0.00 0.00 55.73 58.79 1qa4 s ARG 21 Cb -0.13 0.16 0.00 0.00 -1.03 0.00 0.00 34.95 33.96 1qa4 s ARG 21 CO 0.03 -0.23 0.14 -2.13 -1.13 0.00 0.00 175.30 171.98 1qa4 n ARG 22 N 5.06 0.21 -2.98 3.89 3.00 -1.26 -5.00 116.66 119.58 1qa4 n ARG 22 Ca -0.12 -0.77 -0.12 0.00 -0.00 0.00 0.00 57.85 56.83 1qa4 n ARG 22 Cb 0.51 0.76 0.06 0.00 0.00 0.00 0.00 32.46 33.79 1qa4 n ARG 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qa4 n ALA 23 N -2.35 -1.71 -2.69 5.13 0.00 -1.26 -5.01 120.51 112.62 1qa4 n ALA 23 Ca -0.04 0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1qa4 n ALA 23 Cb 0.16 -2.93 -0.07 0.00 0.00 0.00 0.00 19.45 16.62 1qa4 n ALA 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qa4 s GLU 24 N -4.65 4.09 -0.27 0.00 1.03 -1.26 -5.05 118.70 112.59 1qa4 s GLU 24 Ca 0.13 0.18 -0.29 0.00 0.03 0.00 0.00 54.97 55.02 1qa4 s GLU 24 Cb -0.02 -3.35 -0.01 0.00 -0.80 0.00 0.00 34.13 29.95 1qa4 s GLU 24 CO 0.55 0.40 1.52 -1.25 -1.33 0.00 0.00 175.26 175.16 1qa4 s PRO 25 N -0.06 3.78 0.15 -4.83 0.04 -1.26 -5.00 135.00 127.82 1qa4 s PRO 25 Ca 0.19 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1qa4 s PRO 25 Cb -0.14 -4.00 -0.07 0.00 0.04 0.00 0.00 34.50 30.33 1qa4 s PRO 25 CO 0.07 -1.31 0.95 0.00 0.04 0.00 0.00 177.00 176.74 1qa4 s ALA 26 N 5.10 3.28 -0.18 8.56 0.00 -1.26 -5.04 121.76 132.23 1qa4 s ALA 26 Ca 0.67 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 1qa4 s ALA 26 Cb -0.21 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1qa4 s ALA 26 CO 0.28 0.06 0.44 0.00 0.00 0.00 0.00 175.76 176.54 1qa4 s ALA 27 N -0.39 3.53 0.48 0.00 0.00 -1.26 -5.08 121.76 119.05 1qa4 s ALA 27 Ca 0.45 -0.40 0.09 0.00 0.00 0.00 0.00 51.96 52.09 1qa4 s ALA 27 Cb -0.24 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.25 1qa4 s ALA 27 CO 0.30 -0.23 0.65 0.34 0.00 0.00 0.00 175.76 176.81 1qa4 s ASP 28 N 0.93 5.39 0.00 0.00 -1.08 -1.26 -4.84 116.67 115.80 1qa4 s ASP 28 Ca 0.22 -0.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1qa4 s ASP 28 Cb -0.15 -0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.06 1qa4 s ASP 28 CO 0.09 -1.00 0.00 0.61 0.52 0.00 0.00 175.17 175.39 1qa4 n GLY 29 N -1.99 0.77 2.68 2.66 0.00 -1.26 -4.83 105.19 103.21 1qa4 n GLY 29 Ca 0.11 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1qa4 n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qa4 s VAL 30 N 0.00 -0.23 -0.44 1.61 -7.23 -1.26 -5.05 120.40 107.81 1qa4 s VAL 30 Ca 0.00 -0.25 0.10 0.00 -1.81 0.00 0.00 61.98 60.02 1qa4 s VAL 30 Cb 0.00 -0.71 0.37 0.00 0.56 0.00 0.00 36.38 36.59 1qa4 s VAL 30 CO 0.00 -0.32 0.85 0.61 -0.31 0.00 0.00 175.10 175.93 1qa4 n GLY 31 N 5.30 4.18 3.24 2.32 0.00 -1.26 -5.07 105.19 113.90 1qa4 n GLY 31 Ca -0.06 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 1qa4 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa4 s ALA 32 N -2.93 -0.83 0.23 4.61 0.00 -1.26 -5.15 121.76 116.44 1qa4 s ALA 32 Ca 0.42 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1qa4 s ALA 32 Cb 0.34 -0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 1qa4 s ALA 32 CO -0.09 -0.24 1.21 0.00 0.00 0.00 0.00 175.76 176.64 1qa4 s ALA 33 N -0.93 3.46 -1.07 0.00 0.00 -1.26 -4.91 121.76 117.05 1qa4 s ALA 33 Ca -0.10 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 1qa4 s ALA 33 Cb -0.04 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1qa4 s ALA 33 CO 0.03 -0.39 1.92 0.43 0.00 0.00 0.00 175.76 177.75 1qa4 n SER 34 N 1.93 3.09 0.12 0.00 7.64 -1.26 -4.71 113.62 120.44 1qa4 n SER 34 Ca 0.03 -2.72 -0.09 0.00 1.01 0.00 0.00 58.87 57.10 1qa4 n SER 34 Cb 0.44 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.05 1qa4 n SER 34 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1qa4 h ARG 35 N 8.80 -0.38 -0.60 1.43 1.12 -2.02 -3.27 114.38 119.45 1qa4 h ARG 35 Ca 0.32 0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.22 1qa4 h ARG 35 Cb 0.83 0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 30.85 1qa4 h ARG 35 CO 1.51 -0.10 0.40 -0.44 -3.11 0.00 0.00 179.97 178.23 1qa4 h ASP 36 N -1.01 0.68 -0.99 -3.80 5.19 -2.01 -2.01 116.42 112.48 1qa4 h ASP 36 Ca -0.04 -0.02 0.22 0.00 -0.62 0.00 0.00 57.03 56.57 1qa4 h ASP 36 Cb 0.46 -0.17 -0.09 0.00 0.18 0.00 0.00 39.33 39.71 1qa4 h ASP 36 CO 0.07 0.49 0.63 0.25 -3.12 0.00 0.00 179.24 177.55 1qa4 h LEU 37 N 0.80 0.57 -0.13 1.55 7.12 -1.94 0.49 115.31 123.78 1qa4 h LEU 37 Ca 0.23 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.29 1qa4 h LEU 37 Cb -0.07 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1qa4 h LEU 37 CO -0.05 0.18 -0.01 -0.08 -0.13 0.00 0.00 178.44 178.34 1qa4 h GLU 38 N 0.54 0.23 -0.31 1.25 4.22 -1.41 0.42 114.58 119.53 1qa4 h GLU 38 Ca 0.56 -0.08 -0.06 0.00 0.08 0.00 0.00 59.36 59.85 1qa4 h GLU 38 Cb 1.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1qa4 h GLU 38 CO -0.30 0.50 -0.06 -0.22 -2.18 0.00 0.00 179.01 176.75 1qa4 h LYS 39 N -0.06 0.58 -0.21 1.92 3.11 -1.05 -0.15 116.57 120.71 1qa4 h LYS 39 Ca 0.03 -0.22 -0.21 0.00 -2.81 0.00 0.00 60.65 57.45 1qa4 h LYS 39 Cb 0.40 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.60 1qa4 h LYS 39 CO 0.01 0.76 -0.69 0.45 -2.81 0.00 0.00 179.45 177.18 1qa4 h HIS 40 N 0.36 1.09 -0.15 1.91 3.86 -0.13 -3.23 115.15 118.85 1qa4 h HIS 40 Ca 0.08 -0.44 -0.18 0.00 -1.16 0.00 0.00 60.37 58.67 1qa4 h HIS 40 Cb 0.54 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 1qa4 h HIS 40 CO 0.05 1.28 -0.64 0.78 0.86 0.00 0.00 177.93 180.26 1qa4 h GLY 41 N 0.62 0.61 -3.80 2.45 0.00 -0.16 -3.25 103.07 99.54 1qa4 h GLY 41 Ca -0.03 -0.78 -0.55 0.00 0.00 0.00 0.00 47.33 45.98 1qa4 h GLY 41 CO 0.15 0.70 0.71 0.00 0.00 0.00 0.00 176.54 178.09 1qa4 n ALA 42 N -2.53 5.88 0.00 3.60 0.00 -0.07 -4.24 120.51 123.15 1qa4 n ALA 42 Ca -0.04 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.60 1qa4 n ALA 42 Cb 0.66 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1qa4 n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1qa4 n ILE 43 N -0.46 0.00 -4.48 0.00 0.13 -1.22 -4.94 119.36 108.38 1qa4 n ILE 43 Ca 0.51 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.92 1qa4 n ILE 43 Cb 0.65 -0.52 -0.10 0.00 -0.84 0.00 0.00 39.64 38.82 1qa4 n ILE 43 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1qa4 s THR 44 N -1.85 1.96 -0.15 9.51 -4.23 -1.26 -5.08 115.64 114.55 1qa4 s THR 44 Ca 0.00 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.24 1qa4 s THR 44 Cb 0.00 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.26 1qa4 s THR 44 CO 0.00 -0.27 -0.20 -0.24 -0.54 0.00 0.00 174.62 173.36 1qa4 n SER 45 N -0.67 1.18 -4.04 3.99 2.88 -1.26 -4.88 113.62 110.81 1qa4 n SER 45 Ca -0.05 0.20 -0.34 0.00 -1.33 0.00 0.00 58.87 57.35 1qa4 n SER 45 Cb 0.63 -0.48 -0.11 0.00 -0.75 0.00 0.00 64.21 63.50 1qa4 n SER 45 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1qa4 s SER 46 N -6.37 4.95 -0.23 -3.46 0.15 -1.26 -5.07 113.70 102.42 1qa4 s SER 46 Ca -0.21 -2.98 -0.09 0.00 0.70 0.00 0.00 55.95 53.36 1qa4 s SER 46 Cb 0.08 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1qa4 s SER 46 CO 0.27 -0.31 0.12 0.21 1.20 0.00 0.00 173.24 174.74 1qa4 s ASN 47 N 0.26 5.83 -1.14 5.45 2.47 -1.26 -4.52 114.94 122.03 1qa4 s ASN 47 Ca 0.18 0.05 -0.04 0.00 0.42 0.00 0.00 52.86 53.47 1qa4 s ASN 47 Cb -0.21 -2.04 -0.03 0.00 -1.45 0.00 0.00 41.25 37.52 1qa4 s ASN 47 CO -0.03 0.08 0.93 0.41 -3.72 0.00 0.00 177.10 174.77 1qa4 n THR 48 N 4.18 -7.29 -3.80 -5.21 -1.04 -1.26 -5.00 114.28 94.86 1qa4 n THR 48 Ca -0.16 -0.91 -0.36 0.00 -2.04 0.00 0.00 64.05 60.59 1qa4 n THR 48 Cb 0.52 -5.54 -0.06 0.00 -1.82 0.00 0.00 70.33 63.43 1qa4 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qa4 s ALA 49 N -3.41 3.86 0.46 2.41 0.00 -1.26 -5.09 121.76 118.73 1qa4 s ALA 49 Ca 0.23 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.41 1qa4 s ALA 49 Cb -0.04 -2.04 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 1qa4 s ALA 49 CO 0.75 0.63 0.96 0.00 0.00 0.00 0.00 175.76 178.10 1qa4 s ALA 50 N -1.15 3.05 0.00 0.00 0.00 -1.26 -4.92 121.76 117.48 1qa4 s ALA 50 Ca 0.21 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1qa4 s ALA 50 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1qa4 s ALA 50 CO 0.11 -0.01 0.00 0.27 0.00 0.00 0.00 175.76 176.13 1qa4 n ASN 51 N -0.99 -1.63 -4.12 0.00 0.23 -1.26 -4.94 115.26 102.56 1qa4 n ASN 51 Ca 0.07 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.02 1qa4 n ASN 51 Cb 0.54 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.15 1qa4 n ASN 51 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1qa4 s ASN 52 N -4.00 0.21 0.31 0.53 3.84 -1.26 -5.14 114.94 109.43 1qa4 s ASN 52 Ca 0.00 -1.17 -0.29 0.00 0.21 0.00 0.00 52.86 51.61 1qa4 s ASN 52 Cb 0.00 0.35 -0.10 0.00 -0.55 0.00 0.00 41.25 40.95 1qa4 s ASN 52 CO 0.00 -0.80 1.22 0.00 -2.79 0.00 0.00 177.10 174.73 1qa4 s ALA 53 N -4.06 3.46 0.22 1.71 0.00 -1.26 -4.81 121.76 117.03 1qa4 s ALA 53 Ca 0.26 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1qa4 s ALA 53 Cb 0.06 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1qa4 s ALA 53 CO 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 175.76 175.36 1qa4 n ALA 54 N 0.96 -1.11 -2.79 0.00 0.00 -1.26 -5.07 120.51 111.23 1qa4 n ALA 54 Ca -0.00 0.22 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1qa4 n ALA 54 Cb 0.43 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 1qa4 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qa4 s ALA 56 N -2.56 3.49 0.00 0.00 0.00 -1.26 -5.28 121.76 116.15 1qa4 s ALA 56 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1qa4 s ALA 56 Cb -0.01 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1qa4 s ALA 56 CO -0.04 0.45 0.00 0.91 0.00 0.00 0.00 175.76 177.08