#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw4 n ASP 2 N 0.00 0.10 0.00 3.17 5.68 -1.24 -4.14 116.55 120.12 2aw4 n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2aw4 n ASP 2 Cb 0.00 1.64 0.00 0.00 -1.14 0.00 0.00 41.12 41.62 2aw4 n ASP 2 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2aw4 n LYS 3 N -2.41 0.00 -0.17 0.11 4.01 -1.26 -2.40 118.16 116.03 2aw4 n LYS 3 Ca -0.14 0.44 0.28 0.00 -0.51 0.00 0.00 58.31 58.38 2aw4 n LYS 3 Cb 0.76 -1.32 0.71 0.00 -0.51 0.00 0.00 35.03 34.67 2aw4 n LYS 3 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2aw4 h LYS 4 N 0.00 0.02 -2.23 1.97 3.64 -2.10 -3.45 116.57 114.43 2aw4 h LYS 4 Ca 0.00 -0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.63 2aw4 h LYS 4 Cb 0.00 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 2aw4 h LYS 4 CO 0.00 0.01 0.73 0.45 -2.27 0.00 0.00 179.45 178.37 2aw4 s SER 5 N -5.67 -0.02 0.00 4.20 0.15 -1.01 -4.99 113.70 106.37 2aw4 s SER 5 Ca -0.05 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2aw4 s SER 5 Cb 0.21 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 2aw4 s SER 5 CO 0.77 -0.64 0.00 0.00 1.20 0.00 0.00 173.24 174.57 2aw4 n ALA 6 N -0.73 0.01 0.04 5.45 0.00 -1.26 -3.72 120.51 120.31 2aw4 n ALA 6 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2aw4 n ALA 6 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2aw4 n ALA 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2aw4 n ARG 7 N -0.01 0.24 -4.42 0.00 5.12 -1.26 -4.67 116.66 111.67 2aw4 n ARG 7 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 2aw4 n ARG 7 Cb 0.00 -1.38 -0.11 0.00 -1.16 0.00 0.00 32.46 29.81 2aw4 n ARG 7 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2aw4 s ILE 8 N 1.17 2.50 0.08 0.55 1.09 -1.26 -4.99 121.20 120.34 2aw4 s ILE 8 Ca 0.00 -2.07 0.00 0.00 -1.10 0.00 0.00 60.65 57.48 2aw4 s ILE 8 Cb 0.00 -2.23 0.00 0.00 -1.06 0.00 0.00 42.46 39.17 2aw4 s ILE 8 CO 0.00 -0.18 0.62 -1.14 -0.10 0.00 0.00 174.94 174.14 2aw4 n ARG 9 N 0.02 0.01 0.30 2.79 0.63 -1.26 -1.47 116.66 117.68 2aw4 n ARG 9 Ca -0.11 0.19 0.18 0.00 -0.92 0.00 0.00 57.85 57.19 2aw4 n ARG 9 Cb 0.57 -2.08 1.00 0.00 0.45 0.00 0.00 32.46 32.39 2aw4 n ARG 9 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 2aw4 h ARG 10 N 0.00 0.00 0.00 -0.14 0.11 -1.86 -1.97 114.38 110.51 2aw4 h ARG 10 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2aw4 h ARG 10 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2aw4 h ARG 10 CO 0.00 0.00 -1.47 0.00 0.10 0.00 0.00 179.97 178.60 2aw4 n ALA 11 N -2.23 3.37 -0.26 0.08 0.00 -0.54 -4.51 120.51 116.42 2aw4 n ALA 11 Ca -0.02 -0.49 0.07 0.00 0.00 0.00 0.00 53.44 52.99 2aw4 n ALA 11 Cb 0.12 -0.83 0.20 0.00 0.00 0.00 0.00 19.45 18.94 2aw4 n ALA 11 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2aw4 h THR 12 N 0.00 0.47 0.00 0.00 1.35 -1.55 -2.53 112.91 110.65 2aw4 h THR 12 Ca 0.00 -0.08 -0.28 0.00 -0.55 0.00 0.00 66.41 65.50 2aw4 h THR 12 Cb 0.82 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.40 2aw4 h THR 12 CO 0.00 0.05 -1.58 0.03 -0.25 0.00 0.00 175.52 173.77 2aw4 h ARG 13 N 0.25 0.00 -0.26 4.72 -0.00 -1.81 -3.31 114.38 113.97 2aw4 h ARG 13 Ca 0.44 0.00 0.07 0.00 -0.50 0.00 0.00 59.98 59.99 2aw4 h ARG 13 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.73 2aw4 h ARG 13 CO -0.55 0.58 0.45 0.00 0.00 0.00 0.00 179.97 180.45 2aw4 h ALA 14 N 1.00 1.83 -0.41 0.04 0.00 -1.68 0.22 119.26 120.26 2aw4 h ALA 14 Ca -0.23 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.25 2aw4 h ALA 14 Cb 1.97 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.63 2aw4 h ALA 14 CO 0.09 -0.58 0.22 0.54 0.00 0.00 0.00 179.25 179.52 2aw4 n ARG 15 N -3.33 2.27 0.05 0.00 5.12 -1.16 -4.00 116.66 115.60 2aw4 n ARG 15 Ca 0.04 -2.00 0.13 0.00 -1.93 0.00 0.00 57.85 54.09 2aw4 n ARG 15 Cb 0.57 -2.08 0.35 0.00 -1.16 0.00 0.00 32.46 30.15 2aw4 n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2aw4 n ARG 16 N 1.20 0.16 -0.31 5.56 3.00 0.79 -3.76 116.66 123.29 2aw4 n ARG 16 Ca 0.46 0.08 0.18 0.00 -0.00 0.00 0.00 57.85 58.58 2aw4 n ARG 16 Cb 0.63 -1.64 0.44 0.00 0.00 0.00 0.00 32.46 31.90 2aw4 n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2aw4 h LYS 17 N 0.00 0.52 -6.91 -0.14 3.64 -1.83 -2.70 116.57 109.14 2aw4 h LYS 17 Ca 0.00 -0.03 -0.46 0.00 -1.27 0.00 0.00 60.65 58.89 2aw4 h LYS 17 Cb 0.64 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2aw4 h LYS 17 CO 0.00 0.34 0.25 -0.48 -2.27 0.00 0.00 179.45 177.29 2aw4 s LEU 18 N -9.82 4.05 0.00 5.20 0.05 -1.25 -1.56 118.68 115.35 2aw4 s LEU 18 Ca -0.09 1.57 0.00 0.00 0.05 0.00 0.00 54.13 55.65 2aw4 s LEU 18 Cb 0.24 -4.28 0.00 0.00 -2.05 0.00 0.00 46.19 40.10 2aw4 s LEU 18 CO 0.79 -0.26 0.00 1.67 -0.55 0.00 0.00 176.35 178.01 2aw4 n GLN 19 N -0.33 0.00 -0.23 1.48 7.27 -1.26 -3.59 117.38 120.72 2aw4 n GLN 19 Ca 0.05 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.30 2aw4 n GLN 19 Cb 0.53 0.00 0.51 0.00 2.41 0.00 0.00 30.24 33.70 2aw4 n GLN 19 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2aw4 h GLU 20 N 0.00 0.39 0.00 3.69 4.39 -1.78 -3.43 114.58 117.85 2aw4 h GLU 20 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2aw4 h GLU 20 Cb 0.00 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2aw4 h GLU 20 CO 0.00 0.26 0.00 -0.11 -1.16 0.00 0.00 179.01 178.00 2aw4 n LEU 21 N -4.50 0.00 -0.63 1.33 -0.00 -0.60 0.34 117.00 112.95 2aw4 n LEU 21 Ca 0.18 0.00 0.48 0.00 -0.00 0.00 0.00 56.01 56.68 2aw4 n LEU 21 Cb 0.67 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.83 2aw4 n LEU 21 CO 0.31 0.00 1.40 0.61 -0.00 0.00 0.00 177.39 179.71 2aw4 n GLY 22 N 0.00 -0.92 3.61 -3.96 0.00 -1.26 -4.32 105.19 98.34 2aw4 n GLY 22 Ca 0.00 0.63 -0.55 0.00 0.00 0.00 0.00 46.02 46.10 2aw4 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw4 n ALA 23 N -2.80 0.33 -2.69 4.61 0.00 0.15 -4.48 120.51 115.64 2aw4 n ALA 23 Ca 0.40 0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.82 2aw4 n ALA 23 Cb 1.89 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 2aw4 n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2aw4 s THR 24 N 4.80 5.14 0.48 0.00 -4.23 -1.26 -4.07 115.64 116.50 2aw4 s THR 24 Ca 1.02 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 61.23 2aw4 s THR 24 Cb -0.98 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.05 2aw4 s THR 24 CO 0.59 -0.33 0.01 0.00 -0.54 0.00 0.00 174.62 174.36 2aw4 s ARG 25 N -3.70 2.12 -0.04 3.99 3.03 -1.25 -0.44 118.95 122.66 2aw4 s ARG 25 Ca 0.40 -2.32 0.06 0.00 2.03 0.00 0.00 55.73 55.90 2aw4 s ARG 25 Cb -0.10 -1.48 -0.09 0.00 -1.03 0.00 0.00 34.95 32.24 2aw4 s ARG 25 CO 0.31 -0.30 0.08 1.28 -1.13 0.00 0.00 175.30 175.54 2aw4 n LEU 26 N -1.17 0.00 0.00 -1.89 4.32 0.18 -3.97 117.00 114.47 2aw4 n LEU 26 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2aw4 n LEU 26 Cb 0.67 0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 2aw4 n LEU 26 CO 0.40 0.09 0.00 0.52 -1.22 0.00 0.00 177.39 177.18 2aw4 n VAL 27 N -2.02 0.00 -0.94 4.08 0.31 -1.26 -3.95 118.33 114.55 2aw4 n VAL 27 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2aw4 n VAL 27 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2aw4 n VAL 27 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2aw4 n VAL 28 N 0.00 -3.14 -4.31 2.52 0.31 -1.22 -4.31 118.33 108.19 2aw4 n VAL 28 Ca 0.00 1.30 -0.17 0.00 -0.01 0.00 0.00 64.34 65.46 2aw4 n VAL 28 Cb 0.00 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 30.98 2aw4 n VAL 28 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2aw4 s HIS 29 N -3.32 1.51 0.00 3.52 2.46 0.26 -4.88 115.29 114.84 2aw4 s HIS 29 Ca 0.00 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 54.81 2aw4 s HIS 29 Cb 0.00 -0.77 0.00 0.00 -0.13 0.00 0.00 32.58 31.68 2aw4 s HIS 29 CO 0.00 0.17 0.00 0.54 -2.47 0.00 0.00 174.74 172.98 2aw4 n ARG 30 N -0.32 0.00 -2.70 2.88 1.74 -1.26 -4.34 116.66 112.66 2aw4 n ARG 30 Ca -0.08 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2aw4 n ARG 30 Cb 0.61 -0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 2aw4 n ARG 30 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2aw4 n THR 31 N -1.45 -1.61 0.00 0.55 5.66 -1.26 -3.98 114.28 112.20 2aw4 n THR 31 Ca 0.00 0.39 0.00 0.00 -3.05 0.00 0.00 64.05 61.39 2aw4 n THR 31 Cb 0.00 -2.44 0.00 0.00 -1.55 0.00 0.00 70.33 66.34 2aw4 n THR 31 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2aw4 n PRO 32 N 1.19 0.00 0.16 1.09 -0.02 -1.26 -0.61 135.00 135.55 2aw4 n PRO 32 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2aw4 n PRO 32 Cb 0.39 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.80 2aw4 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aw4 h ARG 33 N 0.00 -0.43 0.00 -0.52 3.08 -2.02 -3.48 114.38 111.01 2aw4 h ARG 33 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2aw4 h ARG 33 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2aw4 h ARG 33 CO 0.00 -0.10 0.00 0.72 -1.07 0.00 0.00 179.97 179.52 2aw4 n HIS 34 N -5.12 0.00 0.00 3.04 8.25 0.22 -5.07 115.22 116.53 2aw4 n HIS 34 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2aw4 n HIS 34 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2aw4 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2aw4 n ILE 35 N 0.00 0.00 -2.94 1.59 -0.00 -1.26 -4.45 119.36 112.30 2aw4 n ILE 35 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 62.81 2aw4 n ILE 35 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.63 2aw4 n ILE 35 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 2aw4 n TYR 36 N -0.96 -2.36 0.00 4.28 4.02 -1.26 0.90 117.16 121.78 2aw4 n TYR 36 Ca 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 57.90 58.43 2aw4 n TYR 36 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 2aw4 n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2aw4 n ALA 37 N -0.71 0.00 -1.55 -0.72 0.00 -1.26 -4.00 120.51 112.27 2aw4 n ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2aw4 n ALA 37 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 2aw4 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 n GLN 38 N 0.00 -4.44 -4.06 0.00 10.64 -1.25 -3.37 117.38 114.89 2aw4 n GLN 38 Ca 0.00 3.31 -0.23 0.00 -1.83 0.00 0.00 57.00 58.25 2aw4 n GLN 38 Cb 0.00 -3.72 -0.17 0.00 -0.86 0.00 0.00 30.24 25.49 2aw4 n GLN 38 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2aw4 s VAL 39 N -3.32 0.70 0.23 -0.39 1.01 -1.26 -4.28 120.40 113.09 2aw4 s VAL 39 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2aw4 s VAL 39 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2aw4 s VAL 39 CO 0.00 0.29 -0.07 0.27 0.00 0.00 0.00 175.10 175.58 2aw4 s ILE 40 N 1.34 1.46 0.69 2.22 -0.00 -1.25 -1.32 121.20 124.34 2aw4 s ILE 40 Ca -0.04 -2.12 -0.15 0.00 -0.00 0.00 0.00 60.65 58.34 2aw4 s ILE 40 Cb -0.14 -2.23 0.02 0.00 -0.00 0.00 0.00 42.46 40.11 2aw4 s ILE 40 CO -0.03 -0.45 1.17 0.00 -0.00 0.00 0.00 174.94 175.64 2aw4 s ALA 41 N -3.14 2.27 0.00 2.27 0.00 -0.99 -3.94 121.76 118.22 2aw4 s ALA 41 Ca 0.26 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2aw4 s ALA 41 Cb 0.03 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2aw4 s ALA 41 CO 0.08 -1.62 0.01 -0.35 0.00 0.00 0.00 175.76 173.88 2aw4 n PRO 42 N -2.52 0.00 0.00 0.00 -0.04 -1.26 -4.31 135.00 126.87 2aw4 n PRO 42 Ca 0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2aw4 n PRO 42 Cb 0.51 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2aw4 n PRO 42 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2aw4 n ASN 43 N -0.02 1.07 0.00 3.54 4.13 -1.26 -4.79 115.26 117.92 2aw4 n ASN 43 Ca 0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 2aw4 n ASN 43 Cb 0.00 0.16 0.28 0.00 -1.54 0.00 0.00 39.78 38.68 2aw4 n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2aw4 n GLY 44 N 0.78 -0.69 2.74 7.41 0.00 -1.26 -3.99 105.19 110.17 2aw4 n GLY 44 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2aw4 n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2aw4 n SER 45 N -1.32 -2.73 0.00 1.61 2.88 -1.26 -4.92 113.62 107.87 2aw4 n SER 45 Ca 0.05 -3.15 0.06 0.00 -1.33 0.00 0.00 58.87 54.50 2aw4 n SER 45 Cb 0.10 1.72 0.29 0.00 -0.75 0.00 0.00 64.21 65.56 2aw4 n SER 45 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2aw4 n GLU 46 N 1.63 0.08 -0.22 -1.46 -0.58 -1.26 -2.36 120.64 116.48 2aw4 n GLU 46 Ca 0.08 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2aw4 n GLU 46 Cb 0.64 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 2aw4 n GLU 46 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2aw4 n VAL 47 N -1.40 1.07 -4.25 2.62 0.24 -1.26 -4.67 118.33 110.68 2aw4 n VAL 47 Ca 0.04 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 2aw4 n VAL 47 Cb 0.12 -1.17 -0.10 0.00 -1.47 0.00 0.00 33.84 31.22 2aw4 n VAL 47 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2aw4 s LEU 48 N 0.00 1.59 0.00 1.34 0.20 -1.19 -5.01 118.68 115.62 2aw4 s LEU 48 Ca 0.00 -1.33 -0.27 0.00 0.69 0.00 0.00 54.13 53.22 2aw4 s LEU 48 Cb 0.00 0.14 0.09 0.00 -0.43 0.00 0.00 46.19 45.99 2aw4 s LEU 48 CO 0.00 -0.73 1.24 0.55 -0.29 0.00 0.00 176.35 177.11 2aw4 n VAL 49 N -0.33 0.00 0.00 1.68 3.14 -0.43 -4.50 118.33 117.89 2aw4 n VAL 49 Ca -0.01 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2aw4 n VAL 49 Cb 0.65 0.57 0.00 0.00 -1.06 0.00 0.00 33.84 34.01 2aw4 n VAL 49 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2aw4 n ALA 50 N -0.98 0.00 -3.23 1.55 0.00 -1.25 -4.39 120.51 112.21 2aw4 n ALA 50 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2aw4 n ALA 50 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 2aw4 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 s ALA 51 N -2.00 -0.79 0.00 0.00 0.00 -1.26 -4.83 121.76 112.88 2aw4 s ALA 51 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2aw4 s ALA 51 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2aw4 s ALA 51 CO 0.00 -0.22 0.00 -1.13 0.00 0.00 0.00 175.76 174.41 2aw4 n SER 52 N 1.92 0.00 0.12 0.00 3.41 -1.26 -3.93 113.62 113.87 2aw4 n SER 52 Ca -0.18 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2aw4 n SER 52 Cb 0.57 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 2aw4 n SER 52 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2aw4 h THR 53 N 0.00 0.14 -4.59 6.66 1.35 -1.90 -3.44 112.91 111.13 2aw4 h THR 53 Ca 0.00 -1.25 -0.11 0.00 -0.55 0.00 0.00 66.41 64.49 2aw4 h THR 53 Cb 0.00 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2aw4 h THR 53 CO 0.00 0.08 -0.69 1.33 -0.25 0.00 0.00 175.52 175.99 2aw4 n VAL 54 N -2.83 -1.77 0.00 6.82 0.24 -1.26 -4.80 118.33 114.73 2aw4 n VAL 54 Ca -0.01 0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 2aw4 n VAL 54 Cb 0.61 -2.02 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 2aw4 n VAL 54 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2aw4 n GLU 55 N 0.49 0.00 -1.68 7.34 0.28 -1.26 -4.22 120.64 121.59 2aw4 n GLU 55 Ca -0.03 0.71 -0.45 0.00 -0.16 0.00 0.00 57.16 57.24 2aw4 n GLU 55 Cb 0.37 -1.22 -0.03 0.00 1.43 0.00 0.00 31.44 31.98 2aw4 n GLU 55 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2aw4 n LYS 56 N -1.88 2.17 0.06 3.44 0.00 0.26 0.13 118.16 122.34 2aw4 n LYS 56 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 58.31 59.09 2aw4 n LYS 56 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 32.54 2aw4 n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aw4 n ALA 57 N 2.49 0.00 -0.00 3.14 0.00 -1.26 -4.84 120.51 120.03 2aw4 n ALA 57 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2aw4 n ALA 57 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.76 2aw4 n ALA 57 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2aw4 n ILE 58 N -2.95 0.04 0.00 0.00 -5.35 -1.26 -5.04 119.36 104.80 2aw4 n ILE 58 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2aw4 n ILE 58 Cb 0.00 -1.20 0.00 0.00 -1.74 0.00 0.00 39.64 36.70 2aw4 n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2aw4 n ALA 59 N -2.87 0.00 0.00 -1.28 0.00 -1.26 -5.04 120.51 110.05 2aw4 n ALA 59 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2aw4 n ALA 59 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2aw4 n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2aw4 n GLU 60 N 0.00 0.00 -0.97 0.00 0.28 -1.26 -4.65 120.64 114.04 2aw4 n GLU 60 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 2aw4 n GLU 60 Cb 0.00 -0.63 0.28 0.00 1.43 0.00 0.00 31.44 32.52 2aw4 n GLU 60 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2aw4 n GLN 61 N -2.82 3.51 -3.13 3.44 6.02 -1.26 0.91 117.38 124.06 2aw4 n GLN 61 Ca 0.00 -2.86 -0.05 0.00 -0.01 0.00 0.00 57.00 54.08 2aw4 n GLN 61 Cb 0.48 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.58 2aw4 n GLN 61 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2aw4 n LEU 62 N -0.15 -6.29 -4.52 1.08 -0.00 0.34 -4.61 117.00 102.84 2aw4 n LEU 62 Ca 0.39 -0.09 -0.15 0.00 -0.00 0.00 0.00 56.01 56.16 2aw4 n LEU 62 Cb 1.34 -3.09 -0.11 0.00 -0.00 0.00 0.00 43.42 41.56 2aw4 n LEU 62 CO 0.42 -1.10 1.42 1.17 -0.00 0.00 0.00 177.39 179.30 2aw4 n LYS 63 N -1.63 0.34 -3.81 1.96 3.00 -1.26 -4.85 118.16 111.91 2aw4 n LYS 63 Ca -0.02 -0.68 -0.12 0.00 -0.00 0.00 0.00 58.31 57.48 2aw4 n LYS 63 Cb 0.52 -2.89 -0.12 0.00 0.00 0.00 0.00 35.03 32.54 2aw4 n LYS 63 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2aw4 s TYR 64 N 10.57 -0.20 -0.11 5.64 4.12 -1.26 -5.02 117.35 131.09 2aw4 s TYR 64 Ca 0.98 0.48 0.01 0.00 0.02 0.00 0.00 57.07 58.56 2aw4 s TYR 64 Cb -0.31 0.07 0.02 0.00 -1.52 0.00 0.00 41.96 40.22 2aw4 s TYR 64 CO 0.22 -0.10 -0.14 -0.08 0.02 0.00 0.00 175.55 175.47 2aw4 s THR 65 N 0.09 1.39 -2.04 -0.71 -1.32 -1.26 -5.06 115.64 106.73 2aw4 s THR 65 Ca -0.00 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2aw4 s THR 65 Cb -0.01 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2aw4 s THR 65 CO 0.00 0.42 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 2aw4 n GLY 66 N 4.30 0.77 0.00 6.08 0.00 -1.26 -4.79 105.19 110.29 2aw4 n GLY 66 Ca -0.19 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.67 2aw4 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aw4 n ASN 67 N 1.22 0.00 -3.65 1.61 5.03 -1.26 -4.60 115.26 113.62 2aw4 n ASN 67 Ca 0.00 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.27 2aw4 n ASN 67 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2aw4 n ASN 67 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2aw4 n LYS 68 N 0.00 1.23 0.07 3.52 4.01 -1.26 -3.38 118.16 122.35 2aw4 n LYS 68 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.84 2aw4 n LYS 68 Cb 0.04 0.00 0.19 0.00 -0.51 0.00 0.00 35.03 34.75 2aw4 n LYS 68 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2aw4 n ASP 69 N 0.00 0.18 0.00 4.39 9.92 -1.26 -0.55 116.55 129.23 2aw4 n ASP 69 Ca 0.00 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 2aw4 n ASP 69 Cb 0.00 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.98 2aw4 n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2aw4 n ALA 70 N -1.51 -0.08 -0.11 2.24 0.00 -1.26 -3.27 120.51 116.52 2aw4 n ALA 70 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2aw4 n ALA 70 Cb 0.13 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.62 2aw4 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ALA 71 N -2.00 0.73 -0.30 0.00 0.00 -1.70 -3.20 119.26 112.78 2aw4 h ALA 71 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2aw4 h ALA 71 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2aw4 h ALA 71 CO 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 2aw4 h ALA 72 N 0.94 0.26 0.10 0.00 0.00 -0.83 -1.30 119.26 118.42 2aw4 h ALA 72 Ca 0.08 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2aw4 h ALA 72 Cb 0.85 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2aw4 h ALA 72 CO 0.07 -0.42 -0.38 0.00 0.00 0.00 0.00 179.25 178.53 2aw4 h ALA 73 N 1.27 -0.88 -0.70 0.00 0.00 -1.55 -0.05 119.26 117.35 2aw4 h ALA 73 Ca 0.15 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.16 2aw4 h ALA 73 Cb 0.20 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2aw4 h ALA 73 CO -0.25 -0.97 0.50 -0.39 0.00 0.00 0.00 179.25 178.13 2aw4 h VAL 74 N -0.54 0.69 -0.56 0.00 -1.51 -1.58 0.40 116.25 113.15 2aw4 h VAL 74 Ca -0.01 -0.03 0.16 0.00 -1.23 0.00 0.00 66.70 65.59 2aw4 h VAL 74 Cb 0.54 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 2aw4 h VAL 74 CO -0.20 0.02 0.59 1.23 -1.23 0.00 0.00 177.57 177.98 2aw4 h GLY 75 N 0.10 0.00 0.02 5.19 0.00 0.22 -1.71 103.07 106.89 2aw4 h GLY 75 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.24 2aw4 h GLY 75 CO -0.04 0.00 -2.45 1.17 0.00 0.00 0.00 176.54 175.22 2aw4 n LYS 76 N -3.67 0.61 -0.16 4.80 3.00 0.13 -4.60 118.16 118.27 2aw4 n LYS 76 Ca 0.11 0.24 0.02 0.00 -0.00 0.00 0.00 58.31 58.68 2aw4 n LYS 76 Cb 0.80 -1.52 0.06 0.00 0.00 0.00 0.00 35.03 34.37 2aw4 n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aw4 n ALA 77 N -3.88 0.08 0.24 3.14 0.00 -0.65 -0.06 120.51 119.39 2aw4 n ALA 77 Ca -0.51 0.48 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 2aw4 n ALA 77 Cb 0.91 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 2aw4 n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2aw4 h VAL 78 N 0.00 0.30 -0.64 0.00 2.07 -1.80 -0.35 116.25 115.83 2aw4 h VAL 78 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 2aw4 h VAL 78 Cb 0.32 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 2aw4 h VAL 78 CO -0.46 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.41 2aw4 h ALA 79 N -0.26 0.85 -1.88 1.67 0.00 -0.66 0.20 119.26 119.18 2aw4 h ALA 79 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2aw4 h ALA 79 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2aw4 h ALA 79 CO -0.03 -0.13 0.00 -1.91 0.00 0.00 0.00 179.25 177.17 2aw4 n GLU 80 N -4.94 0.00 -0.34 0.00 0.00 -0.62 -0.56 120.64 114.18 2aw4 n GLU 80 Ca 0.09 0.33 0.05 0.00 0.00 0.00 0.00 57.16 57.64 2aw4 n GLU 80 Cb 0.27 -1.19 0.21 0.00 0.00 0.00 0.00 31.44 30.72 2aw4 n GLU 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aw4 h ARG 81 N 0.00 0.92 0.00 5.31 3.08 -1.08 -0.45 114.38 122.15 2aw4 h ARG 81 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2aw4 h ARG 81 Cb 0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 2aw4 h ARG 81 CO 0.00 0.61 -0.16 0.00 -1.07 0.00 0.00 179.97 179.34 2aw4 h ALA 82 N 1.50 1.58 -0.91 0.04 0.00 -0.96 -2.22 119.26 118.29 2aw4 h ALA 82 Ca 0.45 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.64 2aw4 h ALA 82 Cb 0.41 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 17.88 2aw4 h ALA 82 CO -0.25 0.21 0.54 1.28 0.00 0.00 0.00 179.25 181.03 2aw4 n LEU 83 N -4.12 6.79 -0.35 0.00 4.77 0.28 -4.72 117.00 119.65 2aw4 n LEU 83 Ca -0.02 -4.10 0.25 0.00 -0.03 0.00 0.00 56.01 52.11 2aw4 n LEU 83 Cb 0.24 -0.84 0.50 0.00 -2.33 0.00 0.00 43.42 40.99 2aw4 n LEU 83 CO 0.34 1.40 1.15 1.05 -1.33 0.00 0.00 177.39 180.01 2aw4 h GLU 84 N 1.64 0.30 0.15 3.23 9.09 -1.15 -1.73 114.58 126.11 2aw4 h GLU 84 Ca 0.55 -0.02 0.01 0.00 0.05 0.00 0.00 59.36 59.95 2aw4 h GLU 84 Cb 1.55 -0.07 -0.04 0.00 -1.65 0.00 0.00 28.75 28.55 2aw4 h GLU 84 CO 1.25 0.20 -0.45 0.87 0.05 0.00 0.00 179.01 180.93 2aw4 h LYS 85 N 0.31 -0.65 -0.02 1.06 6.56 -1.88 -3.09 116.57 118.87 2aw4 h LYS 85 Ca 0.72 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 60.36 2aw4 h LYS 85 Cb 1.76 0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 33.57 2aw4 h LYS 85 CO -0.53 -0.44 0.09 0.78 -2.06 0.00 0.00 179.45 177.29 2aw4 h GLY 86 N -0.68 0.00 -0.04 3.86 0.00 -1.71 -3.38 103.07 101.13 2aw4 h GLY 86 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2aw4 h GLY 86 CO -0.22 0.00 -0.04 0.16 0.00 0.00 0.00 176.54 176.44 2aw4 h ILE 87 N 0.00 0.00 -0.33 2.60 -0.00 -1.59 -0.91 117.51 117.28 2aw4 h ILE 87 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 64.86 64.96 2aw4 h ILE 87 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 37.00 2aw4 h ILE 87 CO -0.00 0.00 0.29 0.50 -0.00 0.00 0.00 178.15 178.94 2aw4 h LYS 88 N -0.02 0.00 0.00 0.16 3.64 -1.83 0.86 116.57 119.39 2aw4 h LYS 88 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2aw4 h LYS 88 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2aw4 h LYS 88 CO -0.05 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.88 2aw4 n ASP 89 N -4.06 0.00 -2.62 4.20 9.92 -0.35 -4.83 116.55 118.80 2aw4 n ASP 89 Ca 0.05 -0.09 -0.05 0.00 -0.53 0.00 0.00 54.79 54.17 2aw4 n ASP 89 Cb 0.46 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 40.86 2aw4 n ASP 89 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2aw4 n VAL 90 N -1.03-11.85 0.00 2.53 0.31 0.28 -4.86 118.33 103.71 2aw4 n VAL 90 Ca 0.03 2.58 0.00 0.00 -0.01 0.00 0.00 64.34 66.94 2aw4 n VAL 90 Cb 0.02 -6.13 0.00 0.00 -0.91 0.00 0.00 33.84 26.82 2aw4 n VAL 90 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2aw4 n SER 91 N 1.82 0.00 0.00 4.52 7.64 -1.26 -4.03 113.62 122.31 2aw4 n SER 91 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2aw4 n SER 91 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2aw4 n SER 91 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2aw4 n PHE 92 N 0.00 0.00 -5.16 1.43 7.35 0.42 -4.38 117.46 117.11 2aw4 n PHE 92 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 2aw4 n PHE 92 Cb 0.00 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.66 2aw4 n PHE 92 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 2aw4 s ASP 93 N 0.00 2.93 -0.42 -2.13 1.47 -1.26 0.47 116.67 117.73 2aw4 s ASP 93 Ca 0.00 -0.51 -0.11 0.00 1.18 0.00 0.00 52.55 53.10 2aw4 s ASP 93 Cb 0.00 -1.16 0.07 0.00 -0.34 0.00 0.00 42.92 41.49 2aw4 s ASP 93 CO 0.00 0.17 0.28 0.00 0.68 0.00 0.00 175.17 176.30 2aw4 s ARG 94 N 0.21 2.74 0.10 2.11 1.70 -1.26 -4.80 118.95 119.75 2aw4 s ARG 94 Ca -0.13 -1.35 0.05 0.00 -0.47 0.00 0.00 55.73 53.82 2aw4 s ARG 94 Cb -0.16 -3.86 0.35 0.00 -0.57 0.00 0.00 34.95 30.71 2aw4 s ARG 94 CO 0.07 -0.92 0.43 0.45 -1.08 0.00 0.00 175.30 174.25 2aw4 n SER 95 N 5.00 0.08 0.00 -2.89 2.88 -1.26 -4.40 113.62 113.02 2aw4 n SER 95 Ca -0.11 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2aw4 n SER 95 Cb 0.44 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2aw4 n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2aw4 n GLY 96 N -1.08 1.35 0.17 0.46 0.00 -1.26 -3.87 105.19 100.96 2aw4 n GLY 96 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2aw4 n GLY 96 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aw4 n PHE 97 N 0.00 -0.02 -4.36 1.61 7.35 -1.26 -4.76 117.46 116.01 2aw4 n PHE 97 Ca 0.00 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.42 2aw4 n PHE 97 Cb 0.00 0.04 -0.13 0.00 0.35 0.00 0.00 39.48 39.74 2aw4 n PHE 97 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2aw4 s GLN 98 N -0.09 1.31 -0.95 -4.13 -1.52 -1.25 -4.99 119.66 108.04 2aw4 s GLN 98 Ca 0.00 -1.28 -0.03 0.00 -1.95 0.00 0.00 55.36 52.10 2aw4 s GLN 98 Cb 0.00 -1.72 0.23 0.00 -0.22 0.00 0.00 33.01 31.31 2aw4 s GLN 98 CO 0.00 0.41 0.87 -0.47 -0.25 0.00 0.00 175.29 175.84 2aw4 s TYR 99 N -1.09 4.00 -0.11 0.91 5.04 -1.26 -4.80 117.35 120.04 2aw4 s TYR 99 Ca 0.11 -2.96 -0.27 0.00 -2.44 0.00 0.00 57.07 51.51 2aw4 s TYR 99 Cb -0.10 -3.39 0.06 0.00 0.35 0.00 0.00 41.96 38.89 2aw4 s TYR 99 CO 0.05 -0.79 0.65 -1.58 -1.34 0.00 0.00 175.55 172.54 2aw4 s HIS 100 N -1.36 -0.65 0.00 4.97 2.46 -1.26 -4.86 115.29 114.60 2aw4 s HIS 100 Ca 0.28 1.27 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2aw4 s HIS 100 Cb -0.08 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 2aw4 s HIS 100 CO -0.12 -0.51 0.00 0.41 -2.47 0.00 0.00 174.74 172.05 2aw4 n GLY 101 N 1.51 1.73 0.37 1.59 0.00 -1.26 -3.30 105.19 105.83 2aw4 n GLY 101 Ca -0.18 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2aw4 n GLY 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2aw4 h ARG 102 N 0.00 -0.11 0.00 1.61 2.43 -1.94 0.54 114.38 116.92 2aw4 h ARG 102 Ca 0.00 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2aw4 h ARG 102 Cb 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2aw4 h ARG 102 CO 0.00 -0.07 -0.24 -0.39 -1.51 0.00 0.00 179.97 177.76 2aw4 h VAL 103 N -0.11 1.15 0.40 0.20 -1.51 -1.86 -1.27 116.25 113.25 2aw4 h VAL 103 Ca 0.11 -0.82 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 2aw4 h VAL 103 Cb 0.40 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2aw4 h VAL 103 CO -0.71 0.23 -0.19 -0.61 -1.23 0.00 0.00 177.57 175.06 2aw4 h GLN 104 N 0.00 -0.52 -0.56 5.19 4.15 -0.61 0.76 115.11 123.53 2aw4 h GLN 104 Ca -0.00 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.57 2aw4 h GLN 104 Cb 0.42 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 2aw4 h GLN 104 CO 0.03 -0.25 0.38 0.00 -1.93 0.00 0.00 178.83 177.06 2aw4 h ALA 105 N -0.22 2.20 0.04 3.38 0.00 0.14 0.28 119.26 125.09 2aw4 h ALA 105 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2aw4 h ALA 105 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2aw4 h ALA 105 CO 0.09 -0.34 -0.02 1.25 0.00 0.00 0.00 179.25 180.23 2aw4 h LEU 106 N 0.24 -0.05 0.90 0.00 7.12 -0.64 -2.08 115.31 120.79 2aw4 h LEU 106 Ca 0.26 -0.57 -0.04 0.00 0.13 0.00 0.00 57.88 57.66 2aw4 h LEU 106 Cb 0.72 0.01 0.01 0.00 -0.53 0.00 0.00 40.66 40.87 2aw4 h LEU 106 CO -0.05 0.57 -0.43 0.00 -0.13 0.00 0.00 178.44 178.40 2aw4 h ALA 107 N 0.17 -1.20 -0.15 1.25 0.00 0.17 -2.90 119.26 116.60 2aw4 h ALA 107 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2aw4 h ALA 107 Cb 0.61 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2aw4 h ALA 107 CO 0.01 -1.16 0.11 0.38 0.00 0.00 0.00 179.25 178.58 2aw4 h ASP 108 N -1.23 0.04 -0.09 0.00 3.04 -0.65 0.18 116.42 117.71 2aw4 h ASP 108 Ca -0.12 -0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.69 2aw4 h ASP 108 Cb 0.92 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.20 2aw4 h ASP 108 CO 0.20 0.03 0.20 0.00 -2.04 0.00 0.00 179.24 177.63 2aw4 h ALA 109 N 1.92 1.48 0.08 4.15 0.00 -1.16 -0.87 119.26 124.86 2aw4 h ALA 109 Ca 0.07 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 2aw4 h ALA 109 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2aw4 h ALA 109 CO -0.00 -0.25 -1.76 0.00 0.00 0.00 0.00 179.25 177.23 2aw4 n ALA 110 N -2.14 0.87 -0.26 0.00 0.00 0.60 -4.10 120.51 115.47 2aw4 n ALA 110 Ca -0.00 -0.57 0.33 0.00 0.00 0.00 0.00 53.44 53.19 2aw4 n ALA 110 Cb 0.29 -0.61 0.68 0.00 0.00 0.00 0.00 19.45 19.82 2aw4 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw4 h ARG 111 N -0.34 0.00 -6.07 0.00 3.08 -0.82 -3.10 114.38 107.15 2aw4 h ARG 111 Ca -0.41 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.04 2aw4 h ARG 111 Cb 1.76 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.71 2aw4 h ARG 111 CO -0.03 0.00 0.55 -1.83 -1.07 0.00 0.00 179.97 177.58 2aw4 s GLU 112 N -4.73 3.62 -1.06 0.04 1.03 -1.09 -4.02 118.70 112.48 2aw4 s GLU 112 Ca -0.04 0.25 -0.05 0.00 0.03 0.00 0.00 54.97 55.16 2aw4 s GLU 112 Cb 0.20 -3.89 -0.05 0.00 -0.80 0.00 0.00 34.13 29.59 2aw4 s GLU 112 CO 0.68 -1.11 0.92 0.00 -1.33 0.00 0.00 175.26 174.42 2aw4 n ALA 113 N 6.96 -2.35 0.00 -0.84 0.00 -1.25 -4.99 120.51 118.03 2aw4 n ALA 113 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2aw4 n ALA 113 Cb 0.48 -5.02 0.00 0.00 0.00 0.00 0.00 19.45 14.92 2aw4 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aw4 n GLY 114 N -1.21 1.66 2.75 0.00 0.00 -1.17 -4.80 105.19 102.42 2aw4 n GLY 114 Ca -0.11 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2aw4 n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2aw4 n LEU 115 N 0.00 -2.50 -4.65 0.99 0.00 -1.26 -4.37 117.00 105.20 2aw4 n LEU 115 Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 56.01 55.74 2aw4 n LEU 115 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 43.42 42.15 2aw4 n LEU 115 CO 0.00 -0.71 1.02 -1.58 0.00 0.00 0.00 177.39 176.12 2aw4 s GLN 116 N -1.20 4.19 0.00 1.96 -0.44 -1.14 -4.79 119.66 118.25 2aw4 s GLN 116 Ca 0.11 1.46 0.28 0.00 -2.50 0.00 0.00 55.36 54.71 2aw4 s GLN 116 Cb -0.01 -3.73 0.99 0.00 -1.64 0.00 0.00 33.01 28.62 2aw4 s GLN 116 CO 0.25 -0.74 1.71 1.19 0.50 0.00 0.00 175.29 178.19