#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5w s ALA 4 N 0.00 3.85 -0.22 7.82 0.00 0.28 -4.82 121.76 128.67 1n5w s ALA 4 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 1n5w s ALA 4 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 1n5w s ALA 4 CO 0.00 0.66 0.54 -1.58 0.00 0.00 0.00 175.76 175.37 1n5w s HIS 5 N -1.11 3.34 0.15 0.00 2.46 -1.26 -0.43 115.29 118.42 1n5w s HIS 5 Ca 0.19 0.75 0.11 0.00 0.47 0.00 0.00 55.06 56.58 1n5w s HIS 5 Cb -0.12 -2.71 -0.04 0.00 -0.13 0.00 0.00 32.58 29.58 1n5w s HIS 5 CO 0.09 -0.17 -0.26 0.96 -2.47 0.00 0.00 174.74 172.89 1n5w s ILE 6 N 1.91 2.32 -0.03 0.89 -4.36 0.20 -5.00 121.20 117.12 1n5w s ILE 6 Ca 0.24 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1n5w s ILE 6 Cb -0.15 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1n5w s ILE 6 CO 0.09 0.04 -0.02 -1.61 0.24 0.00 0.00 174.94 173.68 1n5w s GLU 7 N -2.22 0.43 0.36 0.37 2.02 -1.26 -1.51 118.70 116.89 1n5w s GLU 7 Ca 0.16 -0.01 -0.13 0.00 0.02 0.00 0.00 54.97 55.01 1n5w s GLU 7 Cb -0.09 -0.53 0.05 0.00 0.10 0.00 0.00 34.13 33.65 1n5w s GLU 7 CO 0.07 -0.08 0.71 1.47 0.02 0.00 0.00 175.26 177.45 1n5w n LEU 8 N 3.88 0.00 -4.24 1.80 -0.00 -0.42 -0.37 117.00 117.65 1n5w n LEU 8 Ca -0.24 -2.42 -0.31 0.00 -0.00 0.00 0.00 56.01 53.03 1n5w n LEU 8 Cb 0.52 3.45 -0.17 0.00 -0.00 0.00 0.00 43.42 47.22 1n5w n LEU 8 CO 0.23 -0.78 -0.56 -0.89 -0.00 0.00 0.00 177.39 175.39 1n5w s THR 9 N -2.23 2.03 -0.08 1.47 2.01 -0.64 -0.68 115.64 117.52 1n5w s THR 9 Ca 0.16 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1n5w s THR 9 Cb -0.04 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1n5w s THR 9 CO 0.12 0.56 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.91 1n5w s ILE 10 N 0.08 0.83 -1.35 1.82 1.01 -0.28 -0.64 121.20 122.67 1n5w s ILE 10 Ca -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1n5w s ILE 10 Cb -0.16 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1n5w s ILE 10 CO 0.06 0.32 0.31 0.59 0.00 0.00 0.00 174.94 176.22 1n5w n ASN 11 N 4.61 -4.70 0.00 3.58 5.03 -0.32 -1.35 115.26 122.11 1n5w n ASN 11 Ca -0.16 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.16 1n5w n ASN 11 Cb 0.50 -3.89 0.00 0.00 -1.02 0.00 0.00 39.78 35.38 1n5w n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n5w n GLY 12 N -1.14 0.85 3.59 7.41 0.00 -1.26 -4.98 105.19 109.66 1n5w n GLY 12 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1n5w n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n5w s HIS 13 N -2.99 2.96 0.35 1.61 3.76 -0.46 -5.10 115.29 115.42 1n5w s HIS 13 Ca 0.00 0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.67 1n5w s HIS 13 Cb 0.00 -1.72 -0.11 0.00 1.11 0.00 0.00 32.58 31.86 1n5w s HIS 13 CO 0.00 0.35 1.44 -2.14 -0.85 0.00 0.00 174.74 173.54 1n5w s PRO 14 N -0.82 4.19 -0.02 8.40 0.02 -1.26 -1.12 135.00 144.38 1n5w s PRO 14 Ca 0.12 2.46 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1n5w s PRO 14 Cb -0.11 -3.01 -0.00 0.00 0.02 0.00 0.00 34.50 31.39 1n5w s PRO 14 CO 0.01 -0.44 -0.14 0.08 -0.33 0.00 0.00 177.00 176.19 1n5w s VAL 15 N -0.95 1.12 -0.02 3.83 1.01 0.14 -4.89 120.40 120.63 1n5w s VAL 15 Ca 0.53 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1n5w s VAL 15 Cb -0.44 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1n5w s VAL 15 CO 0.58 0.32 -0.07 -1.61 0.00 0.00 0.00 175.10 174.32 1n5w s GLU 16 N -0.07 0.82 0.16 2.72 2.02 -1.26 -1.29 118.70 121.80 1n5w s GLU 16 Ca 0.00 -0.24 -0.16 0.00 0.02 0.00 0.00 54.97 54.60 1n5w s GLU 16 Cb -0.08 -0.79 0.03 0.00 0.10 0.00 0.00 34.13 33.39 1n5w s GLU 16 CO 0.01 0.07 0.44 0.00 0.02 0.00 0.00 175.26 175.80 1n5w s ALA 17 N 0.27 -0.79 -0.16 5.21 0.00 -0.57 -5.01 121.76 120.71 1n5w s ALA 17 Ca -0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 1n5w s ALA 17 Cb -0.08 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1n5w s ALA 17 CO 0.00 -0.72 0.05 -0.51 0.00 0.00 0.00 175.76 174.59 1n5w s LEU 18 N -2.86 3.78 0.02 0.00 1.02 -1.26 -0.63 118.68 118.76 1n5w s LEU 18 Ca 0.08 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.34 1n5w s LEU 18 Cb 0.01 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.27 1n5w s LEU 18 CO -0.06 0.22 -0.05 0.68 0.02 0.00 0.00 176.35 177.16 1n5w s VAL 19 N 0.08 0.29 0.49 -1.59 -7.23 0.42 -4.90 120.40 107.97 1n5w s VAL 19 Ca 0.05 -0.73 -0.23 0.00 -1.81 0.00 0.00 61.98 59.26 1n5w s VAL 19 Cb -0.12 -0.36 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 1n5w s VAL 19 CO 0.01 -0.29 1.25 -1.61 -0.31 0.00 0.00 175.10 174.15 1n5w s GLU 20 N -1.08 3.52 0.55 4.82 2.02 -1.26 -0.56 118.70 126.71 1n5w s GLU 20 Ca -0.09 1.99 0.23 0.00 0.02 0.00 0.00 54.97 57.12 1n5w s GLU 20 Cb -0.07 -2.37 1.52 0.00 0.10 0.00 0.00 34.13 33.31 1n5w s GLU 20 CO -0.00 -0.81 2.19 -1.35 0.02 0.00 0.00 175.26 175.31 1n5w h PRO 21 N 1.85 0.00 -0.00 0.39 0.11 -1.97 -2.16 132.00 130.22 1n5w h PRO 21 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n5w h PRO 21 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1n5w h PRO 21 CO 0.59 0.01 -0.09 2.89 -0.21 0.00 0.00 178.00 181.19 1n5w n ARG 22 N -4.19 0.49 -1.97 1.05 1.85 -1.26 -4.61 116.66 108.03 1n5w n ARG 22 Ca -0.03 -0.12 -0.42 0.00 -1.00 0.00 0.00 57.85 56.27 1n5w n ARG 22 Cb 0.10 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 29.98 1n5w n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n5w s THR 23 N -2.59 3.29 0.39 8.89 2.01 -0.81 -4.95 115.64 121.86 1n5w s THR 23 Ca 0.26 0.60 -0.26 0.00 0.31 0.00 0.00 61.69 62.60 1n5w s THR 23 Cb 0.20 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1n5w s THR 23 CO 0.49 -0.02 1.20 -0.76 -0.69 0.00 0.00 174.62 174.84 1n5w s LEU 24 N 3.17 4.23 0.34 4.42 1.43 -1.26 -1.02 118.68 129.98 1n5w s LEU 24 Ca 0.73 2.42 0.07 0.00 -1.03 0.00 0.00 54.13 56.32 1n5w s LEU 24 Cb -0.37 -3.96 0.75 0.00 0.03 0.00 0.00 46.19 42.64 1n5w s LEU 24 CO 0.31 -0.68 1.87 0.25 0.23 0.00 0.00 176.35 178.34 1n5w h LEU 25 N 2.74 0.72 -0.98 1.79 5.85 -0.50 -1.00 115.31 123.93 1n5w h LEU 25 Ca -0.49 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1n5w h LEU 25 Cb 1.24 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1n5w h LEU 25 CO 0.63 0.38 0.48 -0.29 -0.34 0.00 0.00 178.44 179.30 1n5w h ILE 26 N 0.77 1.25 -0.04 4.05 6.09 -1.42 -0.48 117.51 127.73 1n5w h ILE 26 Ca 0.45 -0.60 -0.21 0.00 -1.37 0.00 0.00 64.86 63.13 1n5w h ILE 26 Cb 0.62 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.98 1n5w h ILE 26 CO -0.21 0.27 -0.86 0.45 -3.07 0.00 0.00 178.15 174.74 1n5w h HIS 27 N 1.20 0.64 -0.41 2.19 3.86 -1.52 -1.40 115.15 119.72 1n5w h HIS 27 Ca 0.30 -0.32 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1n5w h HIS 27 Cb 0.01 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 1n5w h HIS 27 CO 0.01 1.12 0.18 0.35 0.86 0.00 0.00 177.93 180.45 1n5w h PHE 28 N 0.28 0.33 -0.08 2.45 3.57 -0.79 0.22 116.94 122.93 1n5w h PHE 28 Ca -0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1n5w h PHE 28 Cb 1.47 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 1n5w h PHE 28 CO 0.06 0.16 0.01 0.82 -2.23 0.00 0.00 178.31 177.13 1n5w h ILE 29 N 0.37 1.21 -0.07 1.41 2.04 -1.03 -1.06 117.51 120.38 1n5w h ILE 29 Ca 0.18 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 1n5w h ILE 29 Cb 0.12 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1n5w h ILE 29 CO -0.15 0.18 -0.30 0.03 0.00 0.00 0.00 178.15 177.91 1n5w h ARG 30 N -0.11 0.33 0.04 2.37 3.08 -1.17 -1.35 114.38 117.57 1n5w h ARG 30 Ca 0.02 -0.26 -0.28 0.00 0.07 0.00 0.00 59.98 59.54 1n5w h ARG 30 Cb 0.28 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1n5w h ARG 30 CO 0.00 0.90 -1.51 0.93 -1.07 0.00 0.00 179.97 179.22 1n5w h GLU 31 N -0.16 0.09 0.14 0.04 4.39 -0.64 -3.03 114.58 115.41 1n5w h GLU 31 Ca -0.02 -0.16 -0.35 0.00 0.34 0.00 0.00 59.36 59.17 1n5w h GLU 31 Cb 0.95 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1n5w h GLU 31 CO 0.06 1.08 -1.86 1.96 -1.16 0.00 0.00 179.01 179.09 1n5w h GLN 32 N -0.64 0.29 0.00 2.33 4.20 -1.37 -3.37 115.11 116.56 1n5w h GLN 32 Ca -0.37 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 57.83 1n5w h GLN 32 Cb 1.55 0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.52 1n5w h GLN 32 CO -0.11 1.20 -0.65 1.04 -0.67 0.00 0.00 178.83 179.64 1n5w n GLN 33 N -3.49 0.08 -2.20 1.46 1.13 -0.48 -4.94 117.38 108.93 1n5w n GLN 33 Ca -0.27 0.01 -0.18 0.00 -1.94 0.00 0.00 57.00 54.62 1n5w n GLN 33 Cb 1.06 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.85 1n5w n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n5w n ASN 34 N -1.64 -5.22 -4.35 1.08 4.13 -1.02 -4.92 115.26 103.32 1n5w n ASN 34 Ca 0.05 0.06 -0.46 0.00 1.68 0.00 0.00 54.58 55.91 1n5w n ASN 34 Cb 0.36 -4.29 -0.01 0.00 -1.54 0.00 0.00 39.78 34.30 1n5w n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n5w s LEU 35 N -4.97 6.37 -0.06 3.41 1.43 -0.54 -4.89 118.68 119.42 1n5w s LEU 35 Ca 0.00 -3.20 0.10 0.00 -1.03 0.00 0.00 54.13 50.00 1n5w s LEU 35 Cb 0.00 -2.23 0.40 0.00 0.03 0.00 0.00 46.19 44.39 1n5w s LEU 35 CO 0.00 -0.44 1.25 0.35 0.23 0.00 0.00 176.35 177.74 1n5w n THR 36 N 3.34 0.98 -0.08 5.49 -2.24 -1.26 -3.97 114.28 116.54 1n5w n THR 36 Ca 0.21 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 1n5w n THR 36 Cb 0.42 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 1n5w n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n5w h GLY 37 N 4.83 0.51 -4.44 3.38 0.00 -1.96 -3.43 103.07 101.96 1n5w h GLY 37 Ca 0.00 -0.48 -0.57 0.00 0.00 0.00 0.00 47.33 46.28 1n5w h GLY 37 CO 0.12 0.43 0.64 0.00 0.00 0.00 0.00 176.54 177.74 1n5w n ALA 38 N -2.42 1.46 -2.38 3.60 0.00 -1.26 -4.71 120.51 114.80 1n5w n ALA 38 Ca -0.05 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.59 1n5w n ALA 38 Cb 0.35 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 1n5w n ALA 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1n5w s HIS 39 N -0.34 1.67 -0.22 0.00 3.76 -0.95 -4.94 115.29 114.27 1n5w s HIS 39 Ca 0.64 -0.56 -0.07 0.00 -0.15 0.00 0.00 55.06 54.92 1n5w s HIS 39 Cb -0.60 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 1n5w s HIS 39 CO 0.53 0.31 0.06 0.42 -0.85 0.00 0.00 174.74 175.21 1n5w s ILE 40 N -2.68 4.44 -0.10 0.60 1.01 -1.26 -1.56 121.20 121.66 1n5w s ILE 40 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1n5w s ILE 40 Cb -0.02 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1n5w s ILE 40 CO 0.06 0.39 0.19 0.61 0.00 0.00 0.00 174.94 176.19 1n5w n GLY 41 N 4.31 0.27 3.85 6.18 0.00 -1.26 -5.05 105.19 113.49 1n5w n GLY 41 Ca -0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 1n5w n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5w n ASP 43 N -0.64 2.09 -0.02 0.00 5.68 -1.26 -4.74 116.55 117.66 1n5w n ASP 43 Ca -0.05 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.60 1n5w n ASP 43 Cb 0.59 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1n5w n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1n5w n THR 44 N -1.04 0.33 -1.10 2.12 -2.24 -1.26 -5.03 114.28 106.06 1n5w n THR 44 Ca 0.10 -0.34 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 1n5w n THR 44 Cb 0.51 0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 1n5w n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n5w n SER 45 N -0.17 -3.48 0.00 3.42 7.64 -1.26 -4.97 113.62 114.80 1n5w n SER 45 Ca 0.00 0.09 -0.18 0.00 1.01 0.00 0.00 58.87 59.78 1n5w n SER 45 Cb 0.43 -1.28 -0.14 0.00 -1.01 0.00 0.00 64.21 62.21 1n5w n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n5w n HIS 46 N -2.88 1.23 0.08 1.43 8.25 -1.26 -4.71 115.22 117.37 1n5w n HIS 46 Ca -0.03 0.29 -0.11 0.00 -0.26 0.00 0.00 57.72 57.61 1n5w n HIS 46 Cb 0.12 -1.17 -0.09 0.00 1.12 0.00 0.00 29.99 29.97 1n5w n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n5w n GLY 48 N 1.25 0.80 0.28 0.00 0.00 -1.16 -0.73 105.19 105.64 1n5w n GLY 48 Ca -0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1n5w n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5w h ALA 49 N 0.00 1.20 -0.41 4.61 0.00 -1.87 -2.03 119.26 120.75 1n5w h ALA 49 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n5w h ALA 49 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n5w h ALA 49 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1n5w s THR 51 N -1.85 3.31 0.19 0.00 2.01 -0.76 -2.68 115.64 115.85 1n5w s THR 51 Ca 0.34 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.54 1n5w s THR 51 Cb 0.23 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1n5w s THR 51 CO 0.14 0.21 -0.06 0.68 -0.69 0.00 0.00 174.62 174.90 1n5w s VAL 52 N -0.36 1.18 -0.18 3.82 -7.23 -0.52 -4.55 120.40 112.56 1n5w s VAL 52 Ca 0.52 -2.07 -0.15 0.00 -1.81 0.00 0.00 61.98 58.48 1n5w s VAL 52 Cb -0.35 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1n5w s VAL 52 CO 0.40 -0.55 0.33 -0.62 -0.31 0.00 0.00 175.10 174.35 1n5w s ASP 53 N -3.24 6.42 -0.12 4.85 2.15 -0.74 -1.30 116.67 124.69 1n5w s ASP 53 Ca 0.22 0.49 -0.04 0.00 0.43 0.00 0.00 52.55 53.66 1n5w s ASP 53 Cb 0.04 -2.20 0.05 0.00 -0.30 0.00 0.00 42.92 40.51 1n5w s ASP 53 CO 0.05 0.03 0.13 -0.22 -0.17 0.00 0.00 175.17 174.98 1n5w s LEU 54 N 0.83 0.08 -1.62 -1.34 0.20 -0.12 -0.38 118.68 116.32 1n5w s LEU 54 Ca 0.17 -0.08 -0.10 0.00 0.69 0.00 0.00 54.13 54.82 1n5w s LEU 54 Cb -0.14 0.06 0.09 0.00 -0.43 0.00 0.00 46.19 45.77 1n5w s LEU 54 CO 0.06 -0.29 0.44 0.47 -0.29 0.00 0.00 176.35 176.73 1n5w n ASP 55 N 5.31 -1.06 0.00 3.68 8.00 -0.40 -1.10 116.55 130.97 1n5w n ASP 55 Ca -0.05 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1n5w n ASP 55 Cb 0.50 -2.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.31 1n5w n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n5w n GLY 56 N -1.82 0.59 3.29 0.44 0.00 -1.26 -5.03 105.19 101.40 1n5w n GLY 56 Ca -0.13 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1n5w n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n5w s MET 57 N -0.18 1.23 -0.25 1.61 -1.94 -0.26 -5.08 119.30 114.42 1n5w s MET 57 Ca 0.00 -1.13 -0.24 0.00 -1.71 0.00 0.00 55.69 52.61 1n5w s MET 57 Cb 0.00 -1.49 -0.01 0.00 2.01 0.00 0.00 34.83 35.35 1n5w s MET 57 CO 0.00 0.36 0.78 -1.12 -0.01 0.00 0.00 175.02 175.03 1n5w s SER 58 N -1.74 6.76 -0.08 3.03 0.01 -1.26 -0.94 113.70 119.47 1n5w s SER 58 Ca 0.08 0.92 0.03 0.00 1.31 0.00 0.00 55.95 58.29 1n5w s SER 58 Cb -0.10 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1n5w s SER 58 CO 0.04 -0.50 -0.18 -0.69 0.41 0.00 0.00 173.24 172.32 1n5w s VAL 59 N 2.80 1.57 -0.63 3.43 1.01 -0.42 -4.98 120.40 123.18 1n5w s VAL 59 Ca 0.33 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1n5w s VAL 59 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1n5w s VAL 59 CO 0.08 0.45 1.56 -0.54 0.00 0.00 0.00 175.10 176.65 1n5w s LYS 60 N 0.42 3.01 0.00 2.72 1.02 -1.26 -1.44 119.74 124.21 1n5w s LYS 60 Ca -0.14 0.33 0.14 0.00 0.02 0.00 0.00 55.97 56.32 1n5w s LYS 60 Cb -0.16 -4.25 0.60 0.00 -0.52 0.00 0.00 37.83 33.51 1n5w s LYS 60 CO 0.06 -2.31 1.44 -1.13 -0.92 0.00 0.00 175.35 172.49 1n5w n SER 61 N 10.76 0.00 0.00 2.83 3.41 -1.09 -1.09 113.62 128.44 1n5w n SER 61 Ca 0.13 0.47 0.15 0.00 -0.26 0.00 0.00 58.87 59.36 1n5w n SER 61 Cb 0.50 -0.49 0.77 0.00 -0.26 0.00 0.00 64.21 64.73 1n5w n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n5w n THR 63 N -1.27 2.07 -3.74 0.00 -1.04 -0.25 -4.92 114.28 105.14 1n5w n THR 63 Ca 0.15 -3.55 -0.13 0.00 -2.04 0.00 0.00 64.05 58.48 1n5w n THR 63 Cb 0.23 -0.38 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 1n5w n THR 63 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n5w s MET 64 N -3.29 0.45 0.29 -2.82 0.00 -1.25 -5.00 119.30 107.68 1n5w s MET 64 Ca 0.43 0.54 -0.17 0.00 0.00 0.00 0.00 55.69 56.49 1n5w s MET 64 Cb 0.38 0.21 -0.09 0.00 0.00 0.00 0.00 34.83 35.34 1n5w s MET 64 CO -0.01 -0.06 0.74 -0.06 0.00 0.00 0.00 175.02 175.63 1n5w s PHE 65 N 0.23 3.48 0.40 4.11 0.08 -1.26 -0.22 117.98 124.80 1n5w s PHE 65 Ca -0.00 1.30 0.14 0.00 0.12 0.00 0.00 56.93 58.49 1n5w s PHE 65 Cb -0.03 -2.58 0.98 0.00 -0.57 0.00 0.00 43.02 40.82 1n5w s PHE 65 CO 0.00 0.18 1.88 0.00 -0.10 0.00 0.00 175.22 177.18 1n5w h ALA 66 N 2.71 2.04 -0.26 5.36 0.00 -1.31 -0.84 119.26 126.97 1n5w h ALA 66 Ca -0.48 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1n5w h ALA 66 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1n5w h ALA 66 CO 0.65 -0.29 0.13 -0.39 0.00 0.00 0.00 179.25 179.35 1n5w h VAL 67 N 0.51 1.09 0.00 0.00 -1.51 -1.81 -0.30 116.25 114.23 1n5w h VAL 67 Ca 0.44 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 65.66 1n5w h VAL 67 Cb 0.92 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1n5w h VAL 67 CO -0.18 0.10 -0.03 1.56 -1.23 0.00 0.00 177.57 177.80 1n5w h GLN 68 N 0.36 0.00 -0.03 5.19 4.20 -1.52 -2.74 115.11 120.57 1n5w h GLN 68 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1n5w h GLN 68 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1n5w h GLN 68 CO -0.01 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1n5w n ALA 69 N -2.13 2.56 -1.64 3.87 0.00 -0.13 -4.90 120.51 118.14 1n5w n ALA 69 Ca -0.01 -0.48 -0.48 0.00 0.00 0.00 0.00 53.44 52.47 1n5w n ALA 69 Cb 0.19 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 1n5w n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n5w n ASN 70 N 0.30 2.57 0.00 0.00 5.15 -1.03 -0.66 115.26 121.59 1n5w n ASN 70 Ca 0.18 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 1n5w n ASN 70 Cb 0.38 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 1n5w n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n5w n GLY 71 N 2.98 1.50 3.82 8.20 0.00 0.50 -4.99 105.19 117.20 1n5w n GLY 71 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1n5w n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5w s ALA 72 N -3.28 2.31 -0.21 4.61 0.00 0.16 -4.85 121.76 120.50 1n5w s ALA 72 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1n5w s ALA 72 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1n5w s ALA 72 CO 0.00 -1.71 -0.08 0.45 0.00 0.00 0.00 175.76 174.42 1n5w s SER 73 N -4.04 4.01 -0.06 0.00 0.15 -1.26 -1.62 113.70 110.89 1n5w s SER 73 Ca 0.61 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.81 1n5w s SER 73 Cb -0.14 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.48 1n5w s SER 73 CO 0.53 -0.02 -0.14 -0.63 1.20 0.00 0.00 173.24 174.19 1n5w s ILE 74 N 1.43 3.11 -0.12 6.45 1.01 0.19 -1.28 121.20 131.99 1n5w s ILE 74 Ca 0.05 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1n5w s ILE 74 Cb -0.14 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1n5w s ILE 74 CO -0.06 0.59 -0.17 -0.89 0.00 0.00 0.00 174.94 174.41 1n5w s THR 75 N -0.66 2.66 0.50 2.92 2.01 0.49 -1.17 115.64 122.39 1n5w s THR 75 Ca 0.10 -0.80 0.05 0.00 0.31 0.00 0.00 61.69 61.35 1n5w s THR 75 Cb -0.11 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1n5w s THR 75 CO 0.01 0.54 0.28 0.42 -0.69 0.00 0.00 174.62 175.18 1n5w s THR 76 N 0.37 1.79 0.45 -0.82 -4.23 -1.26 -1.79 115.64 110.15 1n5w s THR 76 Ca -0.14 -1.62 0.11 0.00 -1.18 0.00 0.00 61.69 58.87 1n5w s THR 76 Cb -0.17 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1n5w s THR 76 CO 0.07 0.00 2.07 -0.29 -0.54 0.00 0.00 174.62 175.93 1n5w h ILE 77 N 1.03 1.04 0.00 2.99 6.09 -1.91 0.32 117.51 127.07 1n5w h ILE 77 Ca -0.40 -0.13 -0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1n5w h ILE 77 Cb 1.29 0.64 -0.00 0.00 0.47 0.00 0.00 36.82 39.22 1n5w h ILE 77 CO 0.63 0.07 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.44 1n5w h GLU 78 N 0.37 0.00 -0.07 2.19 3.07 -1.98 -2.11 114.58 116.04 1n5w h GLU 78 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1n5w h GLU 78 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1n5w h GLU 78 CO -0.03 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.00 1n5w n GLY 79 N -1.36 -0.21 0.13 -3.84 0.00 0.10 -4.43 105.19 95.58 1n5w n GLY 79 Ca -0.03 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1n5w n GLY 79 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n5w h MET 80 N 1.57 0.38 -7.18 1.61 2.86 -1.46 -3.46 114.93 109.24 1n5w h MET 80 Ca 0.00 -0.64 -0.52 0.00 -2.06 0.00 0.00 59.70 56.47 1n5w h MET 80 Cb 0.34 0.24 0.14 0.00 0.06 0.00 0.00 31.60 32.37 1n5w h MET 80 CO 0.00 1.28 0.39 0.00 1.06 0.00 0.00 176.91 179.64 1n5w s ALA 81 N -2.62 2.24 0.84 6.32 0.00 -1.26 -4.27 121.76 123.02 1n5w s ALA 81 Ca -0.09 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1n5w s ALA 81 Cb 0.06 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.86 1n5w s ALA 81 CO 0.89 -1.65 1.10 0.00 0.00 0.00 0.00 175.76 176.10 1n5w s ALA 82 N -2.11 1.85 0.52 0.00 0.00 -0.15 -4.89 121.76 116.98 1n5w s ALA 82 Ca 0.72 0.30 0.21 0.00 0.00 0.00 0.00 51.96 53.19 1n5w s ALA 82 Cb -0.26 -3.31 1.32 0.00 0.00 0.00 0.00 23.12 20.87 1n5w s ALA 82 CO 0.44 -2.20 2.04 -1.35 0.00 0.00 0.00 175.76 174.69 1n5w h PRO 83 N -1.44 0.05 -0.01 0.00 0.11 -1.94 0.90 132.00 129.66 1n5w h PRO 83 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n5w h PRO 83 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1n5w h PRO 83 CO 0.49 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1n5w n ASP 84 N -4.43 0.40 0.00 -2.05 5.68 -1.26 -4.88 116.55 110.01 1n5w n ASP 84 Ca 0.06 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 1n5w n ASP 84 Cb 0.44 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1n5w n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n5w n GLY 85 N 1.00 2.29 3.70 6.12 0.00 0.31 -5.05 105.19 113.56 1n5w n GLY 85 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 1n5w n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1n5w n THR 86 N -1.75 0.81 -2.16 2.61 -1.04 -1.26 -4.65 114.28 106.84 1n5w n THR 86 Ca 0.00 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.05 61.43 1n5w n THR 86 Cb 0.00 -1.69 -0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1n5w n THR 86 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1n5w s LEU 87 N 0.06 4.07 0.96 -4.42 1.43 -1.26 -0.98 118.68 118.54 1n5w s LEU 87 Ca 0.68 2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 1n5w s LEU 87 Cb -0.59 -4.12 0.17 0.00 0.03 0.00 0.00 46.19 41.68 1n5w s LEU 87 CO 0.47 -0.93 1.11 -0.94 0.23 0.00 0.00 176.35 176.29 1n5w s SER 88 N -1.13 2.62 0.25 2.29 1.04 -1.26 -4.75 113.70 112.76 1n5w s SER 88 Ca 0.62 1.96 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 1n5w s SER 88 Cb -0.33 -2.48 0.37 0.00 0.10 0.00 0.00 66.02 63.69 1n5w s SER 88 CO 0.40 -3.25 1.86 0.00 0.98 0.00 0.00 173.24 173.23 1n5w h ALA 89 N -1.97 1.26 -0.58 5.32 0.00 -1.94 -0.70 119.26 120.65 1n5w h ALA 89 Ca -0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1n5w h ALA 89 Cb 1.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1n5w h ALA 89 CO 0.45 0.31 0.08 -0.07 0.00 0.00 0.00 179.25 180.03 1n5w h LEU 90 N 1.02 0.94 -0.21 0.00 3.38 -1.91 0.11 115.31 118.64 1n5w h LEU 90 Ca 0.40 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1n5w h LEU 90 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1n5w h LEU 90 CO -0.18 0.97 0.09 1.56 0.09 0.00 0.00 178.44 180.97 1n5w h GLN 91 N 0.87 0.30 -0.67 1.13 4.20 -1.69 -0.60 115.11 118.66 1n5w h GLN 91 Ca 0.18 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1n5w h GLN 91 Cb 0.44 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1n5w h GLN 91 CO 0.01 0.34 0.42 1.49 -0.67 0.00 0.00 178.83 180.42 1n5w h GLU 92 N 0.20 0.91 -0.66 1.46 4.81 -1.11 -2.81 114.58 117.39 1n5w h GLU 92 Ca 0.07 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1n5w h GLU 92 Cb 0.14 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1n5w h GLU 92 CO -0.01 0.63 0.21 0.78 -0.73 0.00 0.00 179.01 179.90 1n5w h GLY 93 N 0.91 1.09 1.14 1.92 0.00 -0.48 0.05 103.07 107.71 1n5w h GLY 93 Ca 0.24 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1n5w h GLY 93 CO -0.05 0.60 0.57 0.74 0.00 0.00 0.00 176.54 178.40 1n5w h PHE 94 N 0.95 1.07 -0.01 5.60 -1.00 -1.06 -0.75 116.94 121.73 1n5w h PHE 94 Ca 0.21 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 1n5w h PHE 94 Cb 0.28 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 39.48 1n5w h PHE 94 CO 0.02 0.66 -0.02 -0.09 -1.61 0.00 0.00 178.31 177.27 1n5w h ARG 95 N 1.14 0.03 -0.34 1.51 2.43 -1.19 0.86 114.38 118.82 1n5w h ARG 95 Ca 0.32 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1n5w h ARG 95 Cb -0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1n5w h ARG 95 CO -0.07 0.57 0.03 0.52 -1.51 0.00 0.00 179.97 179.50 1n5w h MET 96 N -0.50 0.52 -0.28 0.20 2.86 -0.82 -2.78 114.93 114.13 1n5w h MET 96 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1n5w h MET 96 Cb 0.57 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1n5w h MET 96 CO 0.00 0.53 0.00 -1.33 1.06 0.00 0.00 176.91 177.17 1n5w n MET 97 N -4.30 2.26 -3.37 1.72 2.81 -0.30 -4.97 117.12 110.97 1n5w n MET 97 Ca 0.02 -1.89 -0.16 0.00 -1.81 0.00 0.00 57.70 53.85 1n5w n MET 97 Cb 0.22 -1.48 0.09 0.00 -0.71 0.00 0.00 33.22 31.34 1n5w n MET 97 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1n5w n HIS 98 N 1.13 -2.16 -0.44 2.03 -0.00 -0.99 -4.79 115.22 110.00 1n5w n HIS 98 Ca 0.18 0.91 0.06 0.00 0.46 0.00 0.00 57.72 59.32 1n5w n HIS 98 Cb 0.53 -4.90 0.32 0.00 -0.12 0.00 0.00 29.99 25.81 1n5w n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n5w n GLY 99 N -1.14 2.58 3.38 1.57 0.00 0.26 -4.74 105.19 107.10 1n5w n GLY 99 Ca -0.26 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1n5w n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n5w s LEU 100 N -2.06 0.02 0.00 0.99 2.34 -1.26 -4.65 118.68 114.06 1n5w s LEU 100 Ca 0.43 0.16 0.00 0.00 0.06 0.00 0.00 54.13 54.78 1n5w s LEU 100 Cb 0.32 2.05 0.00 0.00 -0.56 0.00 0.00 46.19 47.99 1n5w s LEU 100 CO 0.14 -0.70 0.00 0.00 -1.06 0.00 0.00 176.35 174.73 1n5w n GLN 101 N 0.46 0.00 0.25 1.48 6.02 -1.26 -4.85 117.38 119.47 1n5w n GLN 101 Ca -0.18 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.92 1n5w n GLN 101 Cb 0.60 0.00 0.64 0.00 1.02 0.00 0.00 30.24 32.50 1n5w n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n5w n GLY 103 N -0.42 1.03 0.13 0.00 0.00 -1.26 -4.94 105.19 99.74 1n5w n GLY 103 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1n5w n GLY 103 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n5w h TYR 104 N 0.00 0.38 0.00 1.61 3.20 -1.99 -2.89 116.97 117.27 1n5w h TYR 104 Ca 0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1n5w h TYR 104 Cb 0.00 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1n5w h TYR 104 CO 0.00 1.02 -0.17 0.00 -1.64 0.00 0.00 178.16 177.37 1n5w h THR 106 N 0.00 1.24 -0.51 0.00 2.02 -1.89 -0.52 112.91 113.25 1n5w h THR 106 Ca 0.00 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.42 1n5w h THR 106 Cb 0.52 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1n5w h THR 106 CO 0.00 0.28 0.18 -0.65 0.37 0.00 0.00 175.52 175.70 1n5w h PRO 107 N 0.38 0.34 -0.18 6.66 0.11 -1.79 0.36 132.00 137.88 1n5w h PRO 107 Ca 0.10 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 1n5w h PRO 107 Cb 0.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1n5w h PRO 107 CO 0.01 0.23 -0.39 0.78 -0.21 0.00 0.00 178.00 178.41 1n5w h GLY 108 N 0.35 0.43 0.81 -0.55 0.00 -1.58 -0.41 103.07 102.12 1n5w h GLY 108 Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1n5w h GLY 108 CO -0.26 0.37 0.01 1.98 0.00 0.00 0.00 176.54 178.64 1n5w h MET 109 N 0.33 0.30 -0.56 4.80 -1.53 -0.66 -0.82 114.93 116.79 1n5w h MET 109 Ca 0.03 -0.09 -0.08 0.00 -3.44 0.00 0.00 59.70 56.12 1n5w h MET 109 Cb 0.84 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.84 1n5w h MET 109 CO 0.07 0.51 0.03 0.82 0.14 0.00 0.00 176.91 178.48 1n5w h ILE 110 N 0.06 1.26 -0.53 1.77 2.04 -0.86 -0.67 117.51 120.59 1n5w h ILE 110 Ca 0.05 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 1n5w h ILE 110 Cb 0.37 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1n5w h ILE 110 CO 0.01 0.39 0.05 0.24 0.00 0.00 0.00 178.15 178.83 1n5w h MET 111 N 0.86 0.86 -0.51 2.37 2.86 -1.04 -0.29 114.93 120.02 1n5w h MET 111 Ca 0.16 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1n5w h MET 111 Cb 0.50 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1n5w h MET 111 CO 0.02 0.83 0.07 -0.09 1.06 0.00 0.00 176.91 178.80 1n5w h ARG 112 N 0.81 0.86 -0.19 1.72 9.65 -1.03 -3.05 114.38 123.15 1n5w h ARG 112 Ca 0.16 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1n5w h ARG 112 Cb 0.41 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1n5w h ARG 112 CO 0.01 0.85 -0.17 0.77 2.80 0.00 0.00 179.97 184.24 1n5w h SER 113 N 0.74 0.31 -0.80 -3.80 0.02 -0.72 -0.08 113.55 109.22 1n5w h SER 113 Ca 0.15 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1n5w h SER 113 Cb 0.42 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1n5w h SER 113 CO 0.01 0.50 0.52 -0.74 -1.14 0.00 0.00 176.83 175.98 1n5w h HIS 114 N 0.30 0.97 -0.12 3.45 -0.00 -0.95 -1.39 115.15 117.42 1n5w h HIS 114 Ca 0.05 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.23 1n5w h HIS 114 Cb 0.48 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1n5w h HIS 114 CO 0.01 0.58 -0.80 -0.09 -0.00 0.00 0.00 177.93 177.63 1n5w h ARG 115 N 1.03 0.75 -0.44 5.26 9.65 -1.38 -3.12 114.38 126.12 1n5w h ARG 115 Ca 0.31 -0.65 0.08 0.00 -1.10 0.00 0.00 59.98 58.62 1n5w h ARG 115 Cb -0.04 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.61 1n5w h ARG 115 CO -0.09 1.25 -0.01 1.25 2.80 0.00 0.00 179.97 185.17 1n5w h LEU 116 N 0.46 -0.20 -0.79 3.80 5.85 -0.71 0.10 115.31 123.83 1n5w h LEU 116 Ca -0.07 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1n5w h LEU 116 Cb 1.44 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1n5w h LEU 116 CO 0.16 -0.06 0.00 -0.07 -0.34 0.00 0.00 178.44 178.13 1n5w h LEU 117 N 0.10 0.00 0.15 2.25 3.38 -1.33 0.26 115.31 120.12 1n5w h LEU 117 Ca 0.22 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.93 1n5w h LEU 117 Cb 0.32 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.10 1n5w h LEU 117 CO -0.37 0.00 -1.11 1.56 0.09 0.00 0.00 178.44 178.61 1n5w h GLN 118 N 0.00 0.49 -0.75 1.13 4.20 -1.21 -2.98 115.11 115.99 1n5w h GLN 118 Ca 0.00 -0.72 -0.02 0.00 0.06 0.00 0.00 58.65 57.97 1n5w h GLN 118 Cb 0.48 0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1n5w h GLN 118 CO 0.00 1.33 0.39 0.93 -0.67 0.00 0.00 178.83 180.81 1n5w h GLU 119 N 0.01 1.05 -1.88 1.46 5.08 -0.39 -3.41 114.58 116.51 1n5w h GLU 119 Ca -0.18 -0.13 -0.30 0.00 -1.00 0.00 0.00 59.36 57.75 1n5w h GLU 119 Cb 1.83 -0.20 -0.30 0.00 0.50 0.00 0.00 28.75 30.58 1n5w h GLU 119 CO 0.21 0.79 -0.63 1.21 -1.00 0.00 0.00 179.01 179.59 1n5w s ASN 120 N -6.38 0.93 0.58 1.42 3.84 0.04 -5.04 114.94 110.32 1n5w s ASN 120 Ca -0.11 -1.08 0.36 0.00 0.21 0.00 0.00 52.86 52.24 1n5w s ASN 120 Cb 0.17 0.76 1.68 0.00 -0.55 0.00 0.00 41.25 43.31 1n5w s ASN 120 CO 0.81 -0.30 2.11 -0.65 -2.79 0.00 0.00 177.10 176.27 1n5w h PRO 121 N 7.57 0.00 -2.09 0.43 0.11 -1.76 -3.34 132.00 132.93 1n5w h PRO 121 Ca -0.02 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.51 1n5w h PRO 121 Cb 1.08 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.79 1n5w h PRO 121 CO 0.24 0.03 -0.89 0.43 -0.21 0.00 0.00 178.00 177.60 1n5w n SER 122 N -3.19 1.80 -4.82 -2.05 7.64 -1.26 -4.86 113.62 106.88 1n5w n SER 122 Ca -0.01 -3.04 -0.35 0.00 1.01 0.00 0.00 58.87 56.48 1n5w n SER 122 Cb 0.23 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.72 1n5w n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n5w s PRO 123 N -1.84 4.22 0.93 1.43 0.04 -1.25 -5.08 135.00 133.44 1n5w s PRO 123 Ca 0.38 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1n5w s PRO 123 Cb 0.17 -2.66 0.15 0.00 0.04 0.00 0.00 34.50 32.20 1n5w s PRO 123 CO -0.07 0.26 1.12 0.95 0.04 0.00 0.00 177.00 179.30 1n5w s THR 124 N -1.74 2.12 0.20 1.26 -4.23 -1.26 -4.80 115.64 107.18 1n5w s THR 124 Ca 0.49 0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1n5w s THR 124 Cb -0.14 -2.71 0.12 0.00 1.34 0.00 0.00 72.50 71.11 1n5w s THR 124 CO 0.19 -0.05 1.86 -0.08 -0.54 0.00 0.00 174.62 176.01 1n5w h GLU 125 N -1.58 0.88 -0.79 3.99 4.81 -1.99 0.35 114.58 120.24 1n5w h GLU 125 Ca -0.51 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1n5w h GLU 125 Cb 1.33 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1n5w h GLU 125 CO 0.60 0.58 0.38 0.00 -0.73 0.00 0.00 179.01 179.84 1n5w h ALA 126 N 1.25 1.17 -0.58 2.92 0.00 -1.99 0.03 119.26 122.06 1n5w h ALA 126 Ca 0.25 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1n5w h ALA 126 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1n5w h ALA 126 CO -0.06 0.63 0.00 0.93 0.00 0.00 0.00 179.25 180.76 1n5w h GLU 127 N 1.13 1.01 -0.05 0.00 5.08 -1.73 -1.62 114.58 118.40 1n5w h GLU 127 Ca 0.27 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1n5w h GLU 127 Cb 0.11 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1n5w h GLU 127 CO -0.03 0.99 0.02 0.82 -1.00 0.00 0.00 179.01 179.80 1n5w h ILE 128 N 0.92 1.13 -0.52 3.13 2.04 -0.37 0.79 117.51 124.64 1n5w h ILE 128 Ca 0.17 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1n5w h ILE 128 Cb 0.53 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1n5w h ILE 128 CO 0.03 0.11 0.31 0.03 0.00 0.00 0.00 178.15 178.62 1n5w h ARG 129 N -0.08 0.70 -0.36 2.37 3.08 -0.93 -0.85 114.38 118.31 1n5w h ARG 129 Ca 0.02 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1n5w h ARG 129 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1n5w h ARG 129 CO -0.00 0.51 0.03 0.35 -1.07 0.00 0.00 179.97 179.79 1n5w h PHE 130 N 0.69 0.67 -0.09 3.04 3.57 -1.33 -2.97 116.94 120.53 1n5w h PHE 130 Ca 0.19 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1n5w h PHE 130 Cb -0.01 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1n5w h PHE 130 CO -0.03 0.69 0.12 0.78 -2.23 0.00 0.00 178.31 177.65 1n5w h GLY 131 N 0.45 0.00 -1.77 2.40 0.00 -0.04 -1.67 103.07 102.44 1n5w h GLY 131 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.35 1n5w h GLY 131 CO 0.01 0.00 -0.01 0.29 0.00 0.00 0.00 176.54 176.83 1n5w n ILE 132 N -3.62 2.40 0.30 2.60 -5.35 -0.40 -4.76 119.36 110.53 1n5w n ILE 132 Ca -0.01 -2.22 0.17 0.00 -0.27 0.00 0.00 62.75 60.43 1n5w n ILE 132 Cb 0.22 -0.29 0.96 0.00 -1.74 0.00 0.00 39.64 38.79 1n5w n ILE 132 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n5w h GLY 133 N 1.41 0.00 0.63 3.28 0.00 -1.14 -1.66 103.07 105.58 1n5w h GLY 133 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1n5w h GLY 133 CO 0.30 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1n5w n GLY 134 N -0.98 -0.93 3.02 4.60 0.00 -1.26 -4.80 105.19 104.84 1n5w n GLY 134 Ca -0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1n5w n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n5w s ASN 135 N -1.70 2.95 0.05 1.61 -0.87 -0.63 -2.98 114.94 113.36 1n5w s ASN 135 Ca 0.34 -0.62 -0.14 0.00 -1.57 0.00 0.00 52.86 50.86 1n5w s ASN 135 Cb 0.16 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.25 40.10 1n5w s ASN 135 CO 0.26 -0.08 0.45 -0.76 -2.57 0.00 0.00 177.10 174.41 1n5w s LEU 136 N 1.44 4.43 -0.03 0.60 1.43 0.09 -4.99 118.68 121.64 1n5w s LEU 136 Ca 0.03 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1n5w s LEU 136 Cb -0.14 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.25 1n5w s LEU 136 CO -0.10 0.25 -0.14 0.00 0.23 0.00 0.00 176.35 176.58 1n5w n ARG 138 N 3.13 0.62 -0.05 0.00 5.12 -1.26 -4.67 116.66 119.55 1n5w n ARG 138 Ca -0.18 0.12 -0.19 0.00 -1.93 0.00 0.00 57.85 55.67 1n5w n ARG 138 Cb 0.54 -1.76 -0.13 0.00 -1.16 0.00 0.00 32.46 29.94 1n5w n ARG 138 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n5w n THR 140 N -3.35 0.59 -1.28 0.00 -2.24 -1.26 -4.95 114.28 101.78 1n5w n THR 140 Ca -0.37 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 60.73 1n5w n THR 140 Cb 1.03 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1n5w n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5w n GLY 141 N 1.29 1.08 4.45 3.38 0.00 -1.26 -4.05 105.19 110.08 1n5w n GLY 141 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1n5w n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n5w n TYR 142 N -2.54 0.00 -0.17 1.61 4.01 -1.26 -4.79 117.16 114.02 1n5w n TYR 142 Ca -0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 1n5w n TYR 142 Cb 0.41 -0.09 0.07 0.00 -0.31 0.00 0.00 39.34 39.42 1n5w n TYR 142 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1n5w h GLN 143 N 0.22 0.43 0.00 -0.72 4.15 -2.00 -1.19 115.11 116.00 1n5w h GLN 143 Ca 0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 1n5w h GLN 143 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1n5w h GLN 143 CO 0.00 0.28 -0.28 -0.91 -1.93 0.00 0.00 178.83 175.99 1n5w h ASN 144 N 0.44 0.00 -0.54 -0.69 2.35 -1.86 -2.68 115.58 112.60 1n5w h ASN 144 Ca 0.25 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1n5w h ASN 144 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1n5w h ASN 144 CO -0.21 0.28 0.12 0.40 -1.65 0.00 0.00 177.43 176.37 1n5w h ILE 145 N 0.00 1.25 -0.66 2.81 2.04 -1.53 0.19 117.51 121.60 1n5w h ILE 145 Ca -0.00 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1n5w h ILE 145 Cb 1.03 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1n5w h ILE 145 CO 0.04 0.32 0.41 0.58 0.00 0.00 0.00 178.15 179.50 1n5w h VAL 146 N 0.76 1.08 -0.85 1.67 2.07 -1.06 -1.47 116.25 118.46 1n5w h VAL 146 Ca 0.17 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1n5w h VAL 146 Cb 0.35 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1n5w h VAL 146 CO 0.00 0.15 0.48 0.11 0.02 0.00 0.00 177.57 178.33 1n5w h LYS 147 N 0.81 1.18 -0.72 1.57 1.57 -1.25 -1.17 116.57 118.56 1n5w h LYS 147 Ca 0.27 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1n5w h LYS 147 Cb 0.02 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1n5w h LYS 147 CO -0.11 0.85 0.21 0.00 -0.57 0.00 0.00 179.45 179.84 1n5w h ALA 148 N 1.26 0.94 -0.46 3.86 0.00 -0.39 -0.41 119.26 124.06 1n5w h ALA 148 Ca 0.30 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1n5w h ALA 148 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1n5w h ALA 148 CO -0.05 0.63 -0.20 0.82 0.00 0.00 0.00 179.25 180.45 1n5w h ILE 149 N 1.06 1.27 -0.64 0.00 2.04 -0.89 -0.74 117.51 119.62 1n5w h ILE 149 Ca 0.23 -1.35 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 1n5w h ILE 149 Cb 0.33 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1n5w h ILE 149 CO -0.00 0.46 0.06 1.56 0.00 0.00 0.00 178.15 180.23 1n5w h GLN 150 N 0.78 1.08 -0.38 2.37 4.20 -1.06 -0.63 115.11 121.47 1n5w h GLN 150 Ca 0.11 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1n5w h GLN 150 Cb 0.77 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1n5w h GLN 150 CO 0.06 1.02 0.22 -0.92 -0.67 0.00 0.00 178.83 178.54 1n5w h TYR 151 N 0.99 0.51 -0.41 2.96 5.03 -0.83 -1.82 116.97 123.39 1n5w h TYR 151 Ca 0.19 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.40 1n5w h TYR 151 Cb 0.49 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.59 1n5w h TYR 151 CO 0.04 0.37 -0.11 0.00 -1.32 0.00 0.00 178.16 177.14 1n5w h ALA 152 N 1.09 1.04 -0.89 1.82 0.00 -0.85 -2.09 119.26 119.37 1n5w h ALA 152 Ca 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1n5w h ALA 152 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1n5w h ALA 152 CO -0.02 0.58 0.50 0.00 0.00 0.00 0.00 179.25 180.31 1n5w h ALA 153 N 1.21 1.20 -0.65 0.00 0.00 -0.84 0.64 119.26 120.82 1n5w h ALA 153 Ca 0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n5w h ALA 153 Cb 0.57 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1n5w h ALA 153 CO 0.04 0.65 0.09 0.00 0.00 0.00 0.00 179.25 180.03 1n5w h ALA 154 N 1.30 0.87 -0.19 0.00 0.00 -1.02 0.16 119.26 120.38 1n5w h ALA 154 Ca 0.32 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1n5w h ALA 154 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1n5w h ALA 154 CO -0.05 0.65 -0.22 -0.22 0.00 0.00 0.00 179.25 179.41 1n5w h LYS 155 N 1.01 0.49 -0.62 0.00 3.64 -0.75 -2.62 116.57 117.73 1n5w h LYS 155 Ca 0.20 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1n5w h LYS 155 Cb 0.46 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1n5w h LYS 155 CO 0.02 0.85 0.20 0.82 -2.27 0.00 0.00 179.45 179.06 1n5w h ILE 156 N 0.15 1.23 0.00 2.00 2.04 -0.69 -2.35 117.51 119.89 1n5w h ILE 156 Ca 0.03 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1n5w h ILE 156 Cb 0.77 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1n5w h ILE 156 CO 0.05 0.30 0.00 0.59 0.00 0.00 0.00 178.15 179.10 1n5w n ASN 157 N -4.29 0.00 0.06 1.72 3.02 0.03 -2.13 115.26 113.68 1n5w n ASN 157 Ca 0.05 0.39 0.12 0.00 -0.03 0.00 0.00 54.58 55.11 1n5w n ASN 157 Cb 0.20 -0.46 0.04 0.00 -0.61 0.00 0.00 39.78 38.95 1n5w n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n5w n GLY 158 N 1.39 -1.34 0.29 7.41 0.00 -0.91 -4.56 105.19 107.46 1n5w n GLY 158 Ca 0.08 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1n5w n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n5w h VAL 159 N 0.00 0.46 0.00 1.61 2.07 -1.19 -3.52 116.25 115.68 1n5w h VAL 159 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1n5w h VAL 159 Cb 0.85 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1n5w h VAL 159 CO 0.00 0.00 0.00 -2.65 0.02 0.00 0.00 177.57 174.94