#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 3.79 -0.24 7.82 0.00 0.86 -4.85 121.76 129.15 1n5w s ALA 4 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 1n5w s ALA 4 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1n5w s ALA 4 CO 0.00 0.69 0.34 -1.58 0.00 0.00 0.00 175.76 175.20 1n5w s HIS 5 N -1.19 3.30 0.08 0.00 2.46 -1.26 -1.11 115.29 117.57 1n5w s HIS 5 Ca 0.22 0.43 0.09 0.00 0.47 0.00 0.00 55.06 56.27 1n5w s HIS 5 Cb -0.12 -2.50 -0.03 0.00 -0.13 0.00 0.00 32.58 29.80 1n5w s HIS 5 CO 0.13 -0.11 -0.24 0.96 -2.47 0.00 0.00 174.74 173.01 1n5w s ILE 6 N 1.64 1.97 -0.05 0.89 -4.36 0.14 -5.01 121.20 116.42 1n5w s ILE 6 Ca 0.15 -1.47 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1n5w s ILE 6 Cb -0.15 -1.72 0.02 0.00 1.25 0.00 0.00 42.46 41.85 1n5w s ILE 6 CO 0.08 0.16 -0.07 -1.61 0.24 0.00 0.00 174.94 173.75 1n5w s GLU 7 N -1.58 1.11 0.19 0.37 2.02 -1.26 -0.97 118.70 118.57 1n5w s GLU 7 Ca 0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 1n5w s GLU 7 Cb -0.10 -1.03 0.02 0.00 0.10 0.00 0.00 34.13 33.12 1n5w s GLU 7 CO 0.03 -0.06 0.32 1.47 0.02 0.00 0.00 175.26 177.05 1n5w n LEU 8 N 4.01 0.00 -4.05 1.80 -0.00 0.07 -0.57 117.00 118.26 1n5w n LEU 8 Ca -0.24 -1.39 -0.27 0.00 -0.00 0.00 0.00 56.01 54.12 1n5w n LEU 8 Cb 0.51 1.61 -0.17 0.00 -0.00 0.00 0.00 43.42 45.37 1n5w n LEU 8 CO 0.24 -0.38 -0.49 -0.89 -0.00 0.00 0.00 177.39 175.87 1n5w s THR 9 N -2.59 1.34 -0.11 1.47 2.01 -0.38 -0.96 115.64 116.42 1n5w s THR 9 Ca 0.12 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1n5w s THR 9 Cb -0.01 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.30 1n5w s THR 9 CO 0.08 0.40 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.67 1n5w s ILE 10 N 0.73 1.27 -1.57 1.82 1.01 -0.47 -0.91 121.20 123.07 1n5w s ILE 10 Ca -0.13 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1n5w s ILE 10 Cb -0.16 -1.20 0.10 0.00 0.01 0.00 0.00 42.46 41.21 1n5w s ILE 10 CO 0.03 0.40 0.87 0.59 0.00 0.00 0.00 174.94 176.83 1n5w n ASN 11 N 4.45 -3.87 0.00 3.58 3.02 0.26 -1.56 115.26 121.15 1n5w n ASN 11 Ca -0.17 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1n5w n ASN 11 Cb 0.51 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.19 1n5w n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n5w n GLY 12 N -1.61 1.16 3.61 7.41 0.00 -1.26 -4.98 105.19 109.51 1n5w n GLY 12 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.83 2.98 0.38 1.61 3.76 -0.60 -5.08 115.29 114.51 1n5w s HIS 13 Ca 0.00 0.05 -0.27 0.00 -0.15 0.00 0.00 55.06 54.68 1n5w s HIS 13 Cb 0.00 -1.71 -0.10 0.00 1.11 0.00 0.00 32.58 31.88 1n5w s HIS 13 CO 0.00 0.37 1.42 -2.14 -0.85 0.00 0.00 174.74 173.54 1n5w s PRO 14 N -0.92 4.06 -0.04 8.40 0.02 -1.26 -1.37 135.00 143.89 1n5w s PRO 14 Ca 0.13 2.43 0.02 0.00 0.02 0.00 0.00 61.00 63.60 1n5w s PRO 14 Cb -0.11 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.51 1n5w s PRO 14 CO 0.03 -0.51 -0.08 0.08 -0.33 0.00 0.00 177.00 176.18 1n5w s VAL 15 N -1.16 0.80 -0.06 3.83 1.01 -0.14 -4.87 120.40 119.81 1n5w s VAL 15 Ca 0.54 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1n5w s VAL 15 Cb -0.44 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1n5w s VAL 15 CO 0.58 0.27 -0.09 -0.70 0.00 0.00 0.00 175.10 175.16 1n5w s GLU 16 N 0.52 1.36 0.19 2.72 2.12 -1.26 -0.75 118.70 123.60 1n5w s GLU 16 Ca -0.09 -0.29 -0.15 0.00 0.36 0.00 0.00 54.97 54.81 1n5w s GLU 16 Cb -0.12 -1.19 0.01 0.00 0.26 0.00 0.00 34.13 33.09 1n5w s GLU 16 CO 0.01 -0.02 0.45 0.00 -0.54 0.00 0.00 175.26 175.16 1n5w s ALA 17 N 0.78 -0.62 -0.17 6.30 0.00 -0.14 -5.01 121.76 122.89 1n5w s ALA 17 Ca -0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1n5w s ALA 17 Cb -0.15 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1n5w s ALA 17 CO 0.02 -0.76 -0.08 -0.51 0.00 0.00 0.00 175.76 174.43 1n5w s LEU 18 N -2.91 2.87 0.09 0.00 1.43 -1.26 -0.68 118.68 118.22 1n5w s LEU 18 Ca 0.12 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 1n5w s LEU 18 Cb 0.00 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1n5w s LEU 18 CO -0.01 0.08 -0.11 0.68 0.23 0.00 0.00 176.35 177.22 1n5w s VAL 19 N 0.86 0.97 0.49 -1.59 -7.23 -0.27 -4.91 120.40 108.73 1n5w s VAL 19 Ca -0.02 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.41 1n5w s VAL 19 Cb -0.15 -1.26 -0.08 0.00 0.56 0.00 0.00 36.38 35.45 1n5w s VAL 19 CO 0.01 -0.47 1.04 -1.61 -0.31 0.00 0.00 175.10 173.76 1n5w s GLU 20 N -2.48 3.77 0.28 4.82 0.41 -1.26 -0.09 118.70 124.15 1n5w s GLU 20 Ca 0.03 1.36 -0.02 0.00 -0.41 0.00 0.00 54.97 55.93 1n5w s GLU 20 Cb -0.05 -2.09 0.42 0.00 -1.78 0.00 0.00 34.13 30.63 1n5w s GLU 20 CO 0.01 -0.45 1.92 -1.35 -0.49 0.00 0.00 175.26 174.89 1n5w h PRO 21 N 1.51 1.13 0.00 0.39 0.11 -1.97 -2.23 132.00 130.94 1n5w h PRO 21 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1n5w h PRO 21 Cb 1.22 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1n5w h PRO 21 CO 0.59 0.75 0.00 2.89 -0.21 0.00 0.00 178.00 182.01 1n5w n ARG 22 N -4.46 0.34 -1.75 1.05 1.85 -1.26 -4.62 116.66 107.82 1n5w n ARG 22 Ca 0.13 0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.59 1n5w n ARG 22 Cb 0.13 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 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 -2.61 3.15 0.44 8.89 2.01 -0.84 -4.96 115.64 121.72 1n5w s THR 23 Ca 0.24 0.18 -0.25 0.00 0.31 0.00 0.00 61.69 62.17 1n5w s THR 23 Cb 0.18 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.49 1n5w s THR 23 CO 0.42 -0.02 1.35 -0.76 -0.69 0.00 0.00 174.62 174.92 1n5w s LEU 24 N 4.59 4.13 0.32 4.42 1.43 -1.26 -1.30 118.68 131.00 1n5w s LEU 24 Ca 0.86 2.76 0.03 0.00 -1.03 0.00 0.00 54.13 56.75 1n5w s LEU 24 Cb -0.40 -3.97 0.62 0.00 0.03 0.00 0.00 46.19 42.48 1n5w s LEU 24 CO 0.38 -1.06 1.89 0.25 0.23 0.00 0.00 176.35 178.04 1n5w h LEU 25 N 2.39 0.83 -0.89 1.79 5.85 -0.53 -0.67 115.31 124.07 1n5w h LEU 25 Ca -0.50 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.32 1n5w h LEU 25 Cb 1.26 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1n5w h LEU 25 CO 0.61 0.49 0.55 -0.29 -0.34 0.00 0.00 178.44 179.46 1n5w h ILE 26 N 0.92 1.00 0.04 4.05 6.09 -1.43 -0.51 117.51 127.67 1n5w h ILE 26 Ca 0.42 -0.33 -0.22 0.00 -1.37 0.00 0.00 64.86 63.36 1n5w h ILE 26 Cb 0.40 -0.05 -0.01 0.00 0.47 0.00 0.00 36.82 37.63 1n5w h ILE 26 CO -0.18 0.18 -1.01 0.45 -3.07 0.00 0.00 178.15 174.51 1n5w h HIS 27 N 0.96 0.32 -0.43 2.19 3.86 -1.46 -0.81 115.15 119.78 1n5w h HIS 27 Ca 0.41 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1n5w h HIS 27 Cb 0.26 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1n5w h HIS 27 CO -0.03 1.08 0.27 0.35 0.86 0.00 0.00 177.93 180.46 1n5w h PHE 28 N 0.09 0.55 0.05 2.45 3.57 -0.94 0.47 116.94 123.18 1n5w h PHE 28 Ca -0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1n5w h PHE 28 Cb 1.69 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1n5w h PHE 28 CO 0.04 0.37 -0.02 0.82 -2.23 0.00 0.00 178.31 177.29 1n5w h ILE 29 N 0.57 1.08 0.08 1.41 2.04 -1.05 -1.39 117.51 120.25 1n5w h ILE 29 Ca 0.16 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1n5w h ILE 29 Cb -0.03 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1n5w h ILE 29 CO -0.03 0.11 -0.04 0.03 0.00 0.00 0.00 178.15 178.22 1n5w h ARG 30 N -0.26 -0.11 0.13 2.37 3.08 -1.02 -2.11 114.38 116.47 1n5w h ARG 30 Ca -0.01 0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1n5w h ARG 30 Cb 0.23 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1n5w h ARG 30 CO 0.01 0.41 -1.63 0.93 -1.07 0.00 0.00 179.97 178.62 1n5w h GLU 31 N -0.71 0.28 0.05 0.04 4.39 -0.15 -3.14 114.58 115.34 1n5w h GLU 31 Ca -0.01 -0.48 -0.38 0.00 0.34 0.00 0.00 59.36 58.83 1n5w h GLU 31 Cb 0.57 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1n5w h GLU 31 CO 0.02 1.15 -2.26 1.04 -1.16 0.00 0.00 179.01 177.80 1n5w n GLN 32 N -3.48 0.69 0.00 2.33 6.02 -0.85 -4.56 117.38 117.54 1n5w n GLN 32 Ca -0.20 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.12 1n5w n GLN 32 Cb 1.05 -1.60 0.22 0.00 1.02 0.00 0.00 30.24 30.93 1n5w n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1n5w n GLN 33 N -3.41 0.38 -2.38 -1.09 1.13 -0.58 -4.97 117.38 106.45 1n5w n GLN 33 Ca -0.40 -0.25 -0.21 0.00 -1.94 0.00 0.00 57.00 54.20 1n5w n GLN 33 Cb 1.00 -1.49 -0.01 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 -1.10 -5.94 -4.36 1.08 5.03 -1.06 -4.92 115.26 104.00 1n5w n ASN 34 Ca 0.08 -0.01 -0.45 0.00 0.87 0.00 0.00 54.58 55.07 1n5w n ASN 34 Cb 0.35 -4.95 -0.00 0.00 -1.02 0.00 0.00 39.78 34.16 1n5w n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n5w s LEU 35 N -6.02 6.17 -0.04 3.41 1.43 -0.82 -4.89 118.68 117.92 1n5w s LEU 35 Ca 0.00 -3.33 0.12 0.00 -1.03 0.00 0.00 54.13 49.89 1n5w s LEU 35 Cb 0.00 -2.25 0.42 0.00 0.03 0.00 0.00 46.19 44.40 1n5w s LEU 35 CO 0.00 -0.42 1.31 0.35 0.23 0.00 0.00 176.35 177.82 1n5w n THR 36 N 3.26 0.86 0.01 5.49 -2.24 -1.26 -4.05 114.28 116.35 1n5w n THR 36 Ca 0.24 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1n5w n THR 36 Cb 0.41 0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 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 4.87 0.01 -4.10 3.38 0.00 -1.96 -3.43 103.07 101.84 1n5w h GLY 37 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1n5w h GLY 37 CO 0.07 0.01 0.61 0.00 0.00 0.00 0.00 176.54 177.23 1n5w n ALA 38 N -2.23 1.72 -2.40 3.60 0.00 -1.26 -4.70 120.51 115.24 1n5w n ALA 38 Ca -0.08 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.51 1n5w n ALA 38 Cb 0.15 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 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 -1.08 1.88 -0.20 0.00 3.76 -0.93 -4.95 115.29 113.77 1n5w s HIS 39 Ca 0.55 -0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 54.81 1n5w s HIS 39 Cb -0.53 -0.96 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 1n5w s HIS 39 CO 0.63 0.36 -0.00 0.42 -0.85 0.00 0.00 174.74 175.30 1n5w s ILE 40 N -2.94 3.95 0.00 0.60 1.01 -1.26 -1.81 121.20 120.76 1n5w s ILE 40 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1n5w s ILE 40 Cb 0.01 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1n5w s ILE 40 CO 0.10 0.43 0.31 0.61 0.00 0.00 0.00 174.94 176.39 1n5w n GLY 41 N 4.18 -0.53 3.82 6.18 0.00 -1.26 -5.05 105.19 112.52 1n5w n GLY 41 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.84 1.57 0.00 0.00 5.68 -1.26 -4.73 116.55 116.97 1n5w n ASP 43 Ca -0.05 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1n5w n ASP 43 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 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 -0.29 0.66 -1.04 2.12 -2.24 -1.26 -5.02 114.28 107.21 1n5w n THR 44 Ca 0.00 -0.74 -0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1n5w n THR 44 Cb 0.15 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.33 -3.23 -0.00 3.42 7.64 -1.26 -4.96 113.62 114.89 1n5w n SER 45 Ca 0.00 0.03 -0.16 0.00 1.01 0.00 0.00 58.87 59.76 1n5w n SER 45 Cb 0.25 -0.86 -0.14 0.00 -1.01 0.00 0.00 64.21 62.45 1n5w n SER 45 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1n5w h HIS 46 N 0.00 0.28 0.00 1.43 3.86 -1.94 -3.42 115.15 115.36 1n5w h HIS 46 Ca -0.03 -0.21 -0.13 0.00 -1.16 0.00 0.00 60.37 58.84 1n5w h HIS 46 Cb 0.11 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1n5w h HIS 46 CO 0.05 1.44 -0.68 0.00 0.86 0.00 0.00 177.93 179.60 1n5w n GLY 48 N 1.27 0.46 0.28 0.00 0.00 -1.12 -1.04 105.19 105.04 1n5w n GLY 48 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 1.35 -0.44 4.61 0.00 -1.87 -2.08 119.26 120.83 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 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n5w h ALA 49 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1n5w s THR 51 N -1.41 2.90 0.27 0.00 2.01 -0.78 -2.64 115.64 115.99 1n5w s THR 51 Ca 0.30 0.71 0.05 0.00 0.31 0.00 0.00 61.69 63.05 1n5w s THR 51 Cb 0.15 -3.45 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 1n5w s THR 51 CO 0.20 0.09 -0.01 0.68 -0.69 0.00 0.00 174.62 174.89 1n5w s VAL 52 N 0.43 1.32 -0.25 3.82 -7.23 -0.45 -4.54 120.40 113.50 1n5w s VAL 52 Ca 0.62 -2.06 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1n5w s VAL 52 Cb -0.40 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 1n5w s VAL 52 CO 0.38 -0.24 0.24 -0.62 -0.31 0.00 0.00 175.10 174.55 1n5w s ASP 53 N -3.41 6.15 -0.12 4.85 2.15 -0.81 -1.23 116.67 124.25 1n5w s ASP 53 Ca 0.31 0.16 -0.02 0.00 0.43 0.00 0.00 52.55 53.42 1n5w s ASP 53 Cb 0.06 -2.15 0.04 0.00 -0.30 0.00 0.00 42.92 40.57 1n5w s ASP 53 CO 0.12 -0.04 0.02 -0.22 -0.17 0.00 0.00 175.17 174.88 1n5w s LEU 54 N 1.51 0.73 -1.61 -1.34 0.20 0.64 -0.37 118.68 118.44 1n5w s LEU 54 Ca 0.10 -0.35 -0.10 0.00 0.69 0.00 0.00 54.13 54.47 1n5w s LEU 54 Cb -0.15 -0.46 0.09 0.00 -0.43 0.00 0.00 46.19 45.24 1n5w s LEU 54 CO 0.08 -0.25 0.46 0.47 -0.29 0.00 0.00 176.35 176.83 1n5w n ASP 55 N 5.14 -1.17 -0.09 3.68 8.00 -0.40 -1.11 116.55 130.59 1n5w n ASP 55 Ca -0.07 -1.11 -0.01 0.00 0.71 0.00 0.00 54.79 54.30 1n5w n ASP 55 Cb 0.49 -2.37 -0.01 0.00 -0.02 0.00 0.00 41.12 39.21 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 -1.80 0.50 3.24 0.44 0.00 -1.26 -5.03 105.19 101.27 1n5w n GLY 56 Ca -0.13 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.21 1.11 -0.25 1.61 -1.94 -0.27 -5.09 119.30 113.26 1n5w s MET 57 Ca 0.00 -1.01 -0.23 0.00 -1.71 0.00 0.00 55.69 52.73 1n5w s MET 57 Cb 0.00 -1.25 -0.01 0.00 2.01 0.00 0.00 34.83 35.58 1n5w s MET 57 CO 0.00 0.30 0.78 -1.12 -0.01 0.00 0.00 175.02 174.97 1n5w s SER 58 N -1.59 6.76 -0.07 3.03 0.01 -1.26 -0.26 113.70 120.32 1n5w s SER 58 Ca 0.04 0.94 0.04 0.00 1.31 0.00 0.00 55.95 58.28 1n5w s SER 58 Cb -0.09 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1n5w s SER 58 CO 0.03 -0.49 -0.19 -0.69 0.41 0.00 0.00 173.24 172.31 1n5w s VAL 59 N 2.77 1.63 -0.74 3.43 1.01 -0.37 -4.98 120.40 123.16 1n5w s VAL 59 Ca 0.33 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 1n5w s VAL 59 Cb -0.15 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1n5w s VAL 59 CO 0.08 0.46 1.28 -0.54 0.00 0.00 0.00 175.10 176.38 1n5w s LYS 60 N 0.24 3.19 0.00 2.72 1.02 -1.26 -1.34 119.74 124.31 1n5w s LYS 60 Ca -0.11 -0.24 0.10 0.00 0.02 0.00 0.00 55.97 55.73 1n5w s LYS 60 Cb -0.15 -4.18 0.44 0.00 -0.52 0.00 0.00 37.83 33.43 1n5w s LYS 60 CO 0.05 -2.14 1.25 -1.13 -0.92 0.00 0.00 175.35 172.46 1n5w n SER 61 N 9.35 0.00 -0.03 2.83 3.41 -1.08 -1.11 113.62 126.99 1n5w n SER 61 Ca 0.03 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 59.13 1n5w n SER 61 Cb 0.49 -0.40 0.77 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.12 1.97 -3.76 0.00 -1.04 -0.26 -4.92 114.28 105.14 1n5w n THR 63 Ca 0.17 -2.98 -0.13 0.00 -2.04 0.00 0.00 64.05 59.06 1n5w n THR 63 Cb 0.22 -0.12 -0.10 0.00 -1.82 0.00 0.00 70.33 68.52 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 -2.90 0.51 0.23 -2.82 0.00 -1.24 -4.98 119.30 108.09 1n5w s MET 64 Ca 0.37 0.17 -0.16 0.00 0.00 0.00 0.00 55.69 56.07 1n5w s MET 64 Cb 0.37 0.24 -0.08 0.00 0.00 0.00 0.00 34.83 35.35 1n5w s MET 64 CO -0.08 -0.11 0.67 -0.06 0.00 0.00 0.00 175.02 175.44 1n5w s PHE 65 N -0.49 3.54 0.36 4.11 0.08 -1.26 -0.27 117.98 124.05 1n5w s PHE 65 Ca -0.06 1.21 0.11 0.00 0.12 0.00 0.00 56.93 58.31 1n5w s PHE 65 Cb -0.04 -2.50 0.88 0.00 -0.57 0.00 0.00 43.02 40.79 1n5w s PHE 65 CO 0.02 0.29 1.84 0.00 -0.10 0.00 0.00 175.22 177.27 1n5w h ALA 66 N 3.07 1.91 0.00 5.36 0.00 -1.42 0.25 119.26 128.42 1n5w h ALA 66 Ca -0.48 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1n5w h ALA 66 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n5w h ALA 66 CO 0.66 -0.19 -0.06 -0.39 0.00 0.00 0.00 179.25 179.27 1n5w h VAL 67 N 0.63 0.41 0.00 0.00 -1.51 -1.82 -0.11 116.25 113.85 1n5w h VAL 67 Ca 0.48 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 1n5w h VAL 67 Cb 0.89 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1n5w h VAL 67 CO -0.24 0.06 0.00 1.56 -1.23 0.00 0.00 177.57 177.72 1n5w h GLN 68 N 0.00 0.00 -0.59 5.19 4.20 -1.31 -2.78 115.11 119.81 1n5w h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n5w h GLN 68 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1n5w h GLN 68 CO 0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1n5w n ALA 69 N -1.98 2.41 -1.67 3.87 0.00 -0.06 -4.93 120.51 118.15 1n5w n ALA 69 Ca 0.02 -1.04 -0.45 0.00 0.00 0.00 0.00 53.44 51.97 1n5w n ALA 69 Cb 0.32 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 1.24 2.83 0.00 0.00 5.15 -1.05 -1.28 115.26 122.15 1n5w n ASN 70 Ca 0.20 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.31 1n5w n ASN 70 Cb 0.50 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 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 2.36 1.28 3.91 8.20 0.00 0.27 -5.00 105.19 116.19 1n5w n GLY 71 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.15 3.16 -0.21 4.61 0.00 -0.41 -4.82 121.76 120.94 1n5w s ALA 72 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 1n5w s ALA 72 Cb 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1n5w s ALA 72 CO 0.00 -0.92 -0.04 0.45 0.00 0.00 0.00 175.76 175.26 1n5w s SER 73 N -4.32 4.41 -0.03 0.00 0.15 -1.26 -1.25 113.70 111.39 1n5w s SER 73 Ca 0.55 -0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.91 1n5w s SER 73 Cb -0.11 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1n5w s SER 73 CO 0.47 0.01 -0.19 -0.63 1.20 0.00 0.00 173.24 174.11 1n5w s ILE 74 N 1.31 2.67 -0.13 6.45 1.01 -0.09 -1.28 121.20 131.15 1n5w s ILE 74 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1n5w s ILE 74 Cb -0.14 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 1n5w s ILE 74 CO -0.01 0.57 -0.18 -0.89 0.00 0.00 0.00 174.94 174.42 1n5w s THR 75 N -0.70 2.49 0.50 2.92 2.01 0.50 -0.57 115.64 122.80 1n5w s THR 75 Ca 0.11 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.32 1n5w s THR 75 Cb -0.10 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.42 1n5w s THR 75 CO 0.00 0.54 0.42 0.42 -0.69 0.00 0.00 174.62 175.30 1n5w s THR 76 N 0.52 2.00 0.46 -0.82 -4.23 -1.26 -1.93 115.64 110.39 1n5w s THR 76 Ca -0.12 -1.42 0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1n5w s THR 76 Cb -0.16 -2.43 0.29 0.00 1.34 0.00 0.00 72.50 71.53 1n5w s THR 76 CO 0.04 0.00 2.08 -0.29 -0.54 0.00 0.00 174.62 175.91 1n5w h ILE 77 N 0.82 1.01 0.00 2.99 6.09 -1.91 -0.16 117.51 126.35 1n5w h ILE 77 Ca -0.38 -0.10 -0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1n5w h ILE 77 Cb 1.29 0.70 -0.00 0.00 0.47 0.00 0.00 36.82 39.28 1n5w h ILE 77 CO 0.57 0.05 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.37 1n5w h GLU 78 N 0.28 0.00 -0.15 2.19 3.07 -1.98 -2.27 114.58 115.72 1n5w h GLU 78 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1n5w h GLU 78 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1n5w h GLU 78 CO -0.02 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.00 1n5w n GLY 79 N -0.80 0.29 0.12 -3.84 0.00 -0.07 -4.48 105.19 96.41 1n5w n GLY 79 Ca -0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 2.30 0.20 -7.15 1.61 2.86 -1.51 -3.47 114.93 109.77 1n5w h MET 80 Ca 0.00 -0.35 -0.51 0.00 -2.06 0.00 0.00 59.70 56.78 1n5w h MET 80 Cb 0.50 0.13 0.10 0.00 0.06 0.00 0.00 31.60 32.39 1n5w h MET 80 CO 0.00 1.03 0.40 0.00 1.06 0.00 0.00 176.91 179.40 1n5w s ALA 81 N -2.57 2.51 0.58 6.32 0.00 -1.26 -4.32 121.76 123.02 1n5w s ALA 81 Ca -0.16 0.71 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 1n5w s ALA 81 Cb 0.07 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 1n5w s ALA 81 CO 0.80 -1.17 1.06 0.00 0.00 0.00 0.00 175.76 176.45 1n5w s ALA 82 N -2.06 2.73 0.54 0.00 0.00 0.13 -4.92 121.76 118.19 1n5w s ALA 82 Ca 0.70 0.46 0.32 0.00 0.00 0.00 0.00 51.96 53.45 1n5w s ALA 82 Cb -0.23 -3.25 1.83 0.00 0.00 0.00 0.00 23.12 21.47 1n5w s ALA 82 CO 0.37 -0.77 2.22 -1.00 0.00 0.00 0.00 175.76 176.57 1n5w h PRO 83 N 0.61 0.00 -0.04 0.00 0.13 -1.95 0.53 132.00 131.28 1n5w h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n5w h PRO 83 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1n5w h PRO 83 CO 0.57 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1n5w n ASP 84 N -3.62 0.28 0.00 1.44 5.68 -1.26 -4.81 116.55 114.26 1n5w n ASP 84 Ca -0.03 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1n5w n ASP 84 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 0.75 3.19 3.76 6.12 0.00 0.18 -5.02 105.19 114.18 1n5w n GLY 85 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1n5w n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n5w s THR 86 N -2.68 3.06 0.60 2.61 -4.23 -1.24 -4.69 115.64 109.07 1n5w s THR 86 Ca 0.00 1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 61.42 1n5w s THR 86 Cb 0.00 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1n5w s THR 86 CO 0.00 0.25 1.07 -0.76 -0.54 0.00 0.00 174.62 174.63 1n5w s LEU 87 N -1.67 3.49 0.82 4.79 1.43 -1.26 0.20 118.68 126.48 1n5w s LEU 87 Ca 0.47 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 55.31 1n5w s LEU 87 Cb -0.36 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.41 1n5w s LEU 87 CO 0.47 -1.23 1.09 -0.94 0.23 0.00 0.00 176.35 175.98 1n5w s SER 88 N -2.74 4.05 0.24 2.29 1.04 -1.26 -4.76 113.70 112.56 1n5w s SER 88 Ca 0.64 1.76 -0.05 0.00 0.48 0.00 0.00 55.95 58.78 1n5w s SER 88 Cb -0.17 -2.43 0.41 0.00 0.10 0.00 0.00 66.02 63.93 1n5w s SER 88 CO 0.37 -2.31 1.74 0.00 0.98 0.00 0.00 173.24 174.02 1n5w h ALA 89 N -1.32 1.02 -0.44 5.32 0.00 -1.94 -0.43 119.26 121.46 1n5w h ALA 89 Ca -0.45 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1n5w h ALA 89 Cb 1.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1n5w h ALA 89 CO 0.51 -0.16 -0.15 -0.07 0.00 0.00 0.00 179.25 179.38 1n5w h LEU 90 N 0.49 0.90 -0.55 0.00 3.38 -1.90 0.79 115.31 118.40 1n5w h LEU 90 Ca 0.39 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n5w h LEU 90 Cb 0.53 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1n5w h LEU 90 CO -0.36 1.07 0.34 1.56 0.09 0.00 0.00 178.44 181.15 1n5w h GLN 91 N 0.71 0.75 -0.36 1.13 4.20 -1.78 -0.35 115.11 119.42 1n5w h GLN 91 Ca 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1n5w h GLN 91 Cb 0.71 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1n5w h GLN 91 CO 0.05 0.53 0.13 1.49 -0.67 0.00 0.00 178.83 180.36 1n5w h GLU 92 N 0.75 0.54 -0.90 1.46 4.81 -1.03 -2.77 114.58 117.45 1n5w h GLU 92 Ca 0.20 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1n5w h GLU 92 Cb -0.03 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1n5w h GLU 92 CO -0.04 0.55 0.57 0.78 -0.73 0.00 0.00 179.01 180.14 1n5w h GLY 93 N 0.43 1.28 1.35 1.92 0.00 -0.50 0.92 103.07 108.47 1n5w h GLY 93 Ca 0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1n5w h GLY 93 CO -0.01 0.49 0.39 0.74 0.00 0.00 0.00 176.54 178.15 1n5w h PHE 94 N 1.23 0.84 -0.02 5.60 -1.00 -0.93 -0.84 116.94 121.82 1n5w h PHE 94 Ca 0.33 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.07 1n5w h PHE 94 Cb -0.09 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.19 1n5w h PHE 94 CO 0.00 0.56 -0.13 -0.09 -1.61 0.00 0.00 178.31 177.04 1n5w h ARG 95 N 0.88 0.12 -0.84 1.51 2.43 -1.15 0.24 114.38 117.57 1n5w h ARG 95 Ca 0.23 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1n5w h ARG 95 Cb -0.04 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1n5w h ARG 95 CO -0.04 0.79 0.55 0.52 -1.51 0.00 0.00 179.97 180.28 1n5w h MET 96 N -0.52 1.12 -0.41 0.20 2.86 -0.66 -2.83 114.93 114.70 1n5w h MET 96 Ca -0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1n5w h MET 96 Cb 0.82 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1n5w h MET 96 CO 0.03 0.74 0.00 -1.33 1.06 0.00 0.00 176.91 177.41 1n5w n MET 97 N -4.40 2.33 -3.53 1.72 2.81 -0.34 -4.97 117.12 110.74 1n5w n MET 97 Ca 0.10 -2.02 -0.20 0.00 -1.81 0.00 0.00 57.70 53.76 1n5w n MET 97 Cb 0.03 -1.48 0.06 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.20 -2.11 0.35 2.03 -0.00 -1.01 -4.78 115.22 110.90 1n5w n HIS 98 Ca 0.19 0.82 0.07 0.00 0.46 0.00 0.00 57.72 59.26 1n5w n HIS 98 Cb 0.53 -4.39 0.22 0.00 -0.12 0.00 0.00 29.99 26.22 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 -1.40 1.47 3.25 1.57 0.00 0.04 -4.75 105.19 105.38 1n5w n GLY 99 Ca -0.22 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.17 0.90 0.00 0.99 2.34 -1.26 -4.64 118.68 115.84 1n5w s LEU 100 Ca 0.32 -0.18 0.00 0.00 0.06 0.00 0.00 54.13 54.33 1n5w s LEU 100 Cb 0.19 1.33 0.00 0.00 -0.56 0.00 0.00 46.19 47.15 1n5w s LEU 100 CO 0.19 -0.60 0.00 0.00 -1.06 0.00 0.00 176.35 174.87 1n5w n GLN 101 N 0.62 0.00 0.22 1.48 6.02 -1.26 -4.86 117.38 119.61 1n5w n GLN 101 Ca -0.19 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 56.96 1n5w n GLN 101 Cb 0.59 0.00 0.60 0.00 1.02 0.00 0.00 30.24 32.46 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 0.07 0.39 0.20 0.00 0.00 -1.26 -4.94 105.19 99.66 1n5w n GLY 103 Ca 0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 1.02 -0.00 1.61 3.20 -1.99 -2.76 116.97 118.05 1n5w h TYR 104 Ca -0.02 -0.51 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1n5w h TYR 104 Cb 0.41 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1n5w h TYR 104 CO 0.25 1.34 -0.08 0.00 -1.64 0.00 0.00 178.16 178.03 1n5w h THR 106 N 0.14 1.28 -0.39 0.00 2.02 -1.87 -0.54 112.91 113.55 1n5w h THR 106 Ca 0.00 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.58 1n5w h THR 106 Cb 0.39 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1n5w h THR 106 CO 0.00 0.54 0.16 -0.65 0.37 0.00 0.00 175.52 175.93 1n5w h PRO 107 N 0.65 0.32 -0.44 6.66 0.11 -1.79 -0.13 132.00 137.37 1n5w h PRO 107 Ca 0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1n5w h PRO 107 Cb 1.06 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1n5w h PRO 107 CO 0.11 0.21 -0.11 0.78 -0.21 0.00 0.00 178.00 178.77 1n5w h GLY 108 N 0.33 0.87 0.88 -0.55 0.00 -1.59 -0.67 103.07 102.35 1n5w h GLY 108 Ca 0.17 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1n5w h GLY 108 CO -0.16 0.61 0.07 1.98 0.00 0.00 0.00 176.54 179.05 1n5w h MET 109 N 0.73 0.41 -0.47 4.80 -1.53 -0.59 -1.15 114.93 117.12 1n5w h MET 109 Ca 0.12 -0.09 -0.12 0.00 -3.44 0.00 0.00 59.70 56.17 1n5w h MET 109 Cb 0.60 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1n5w h MET 109 CO 0.04 0.49 -0.17 0.82 0.14 0.00 0.00 176.91 178.23 1n5w h ILE 110 N 0.25 1.27 -0.47 1.77 2.04 -0.96 -0.28 117.51 121.13 1n5w h ILE 110 Ca 0.08 -1.30 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 1n5w h ILE 110 Cb 0.26 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1n5w h ILE 110 CO -0.00 0.45 -0.25 0.24 0.00 0.00 0.00 178.15 178.59 1n5w h MET 111 N 0.80 0.99 -0.42 2.37 2.86 -1.06 -0.02 114.93 120.47 1n5w h MET 111 Ca 0.12 -0.44 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 1n5w h MET 111 Cb 0.71 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 1n5w h MET 111 CO 0.05 1.12 0.15 -0.09 1.06 0.00 0.00 176.91 179.21 1n5w h ARG 112 N 0.84 0.63 -0.10 1.72 9.65 -1.16 -3.05 114.38 122.91 1n5w h ARG 112 Ca 0.10 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1n5w h ARG 112 Cb 0.84 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.31 1n5w h ARG 112 CO 0.07 0.60 -0.13 0.77 2.80 0.00 0.00 179.97 184.08 1n5w h SER 113 N 0.53 0.15 -0.61 -3.80 0.02 -0.69 -0.52 113.55 108.63 1n5w h SER 113 Ca 0.14 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1n5w h SER 113 Cb 0.21 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1n5w h SER 113 CO -0.01 0.30 0.38 -0.74 -1.14 0.00 0.00 176.83 175.62 1n5w h HIS 114 N 0.15 0.79 -0.09 3.45 -0.00 -0.90 -1.19 115.15 117.37 1n5w h HIS 114 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.17 1n5w h HIS 114 Cb 0.33 -0.26 0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1n5w h HIS 114 CO 0.00 0.53 -0.88 -0.09 -0.00 0.00 0.00 177.93 177.49 1n5w h ARG 115 N 0.82 0.71 -0.47 5.26 9.65 -1.36 -3.16 114.38 125.83 1n5w h ARG 115 Ca 0.22 -0.65 0.09 0.00 -1.10 0.00 0.00 59.98 58.54 1n5w h ARG 115 Cb -0.04 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.62 1n5w h ARG 115 CO -0.04 1.25 0.03 1.25 2.80 0.00 0.00 179.97 185.26 1n5w h LEU 116 N 0.46 -0.14 -0.64 3.80 5.85 -0.79 0.76 115.31 124.61 1n5w h LEU 116 Ca -0.08 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1n5w h LEU 116 Cb 1.51 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1n5w h LEU 116 CO 0.17 -0.04 0.00 -0.07 -0.34 0.00 0.00 178.44 178.17 1n5w h LEU 117 N 0.15 0.00 0.23 2.25 3.38 -1.30 -0.15 115.31 119.86 1n5w h LEU 117 Ca 0.24 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.87 1n5w h LEU 117 Cb 0.34 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.12 1n5w h LEU 117 CO -0.37 0.00 -1.55 1.56 0.09 0.00 0.00 178.44 178.18 1n5w h GLN 118 N 0.00 0.48 -0.96 1.13 4.20 -1.20 -3.02 115.11 115.74 1n5w h GLN 118 Ca 0.00 -0.82 0.01 0.00 0.06 0.00 0.00 58.65 57.90 1n5w h GLN 118 Cb 0.43 0.30 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1n5w h GLN 118 CO 0.00 1.39 0.62 0.93 -0.67 0.00 0.00 178.83 181.10 1n5w h GLU 119 N 0.13 1.28 -1.81 1.46 5.08 -0.38 -3.41 114.58 116.93 1n5w h GLU 119 Ca -0.27 -0.09 -0.33 0.00 -1.00 0.00 0.00 59.36 57.66 1n5w h GLU 119 Cb 2.14 -0.28 -0.29 0.00 0.50 0.00 0.00 28.75 30.81 1n5w h GLU 119 CO 0.24 0.86 -0.67 1.21 -1.00 0.00 0.00 179.01 179.66 1n5w s ASN 120 N -6.11 0.74 0.36 1.42 3.84 -0.12 -5.03 114.94 110.05 1n5w s ASN 120 Ca -0.13 -1.58 0.26 0.00 0.21 0.00 0.00 52.86 51.62 1n5w s ASN 120 Cb 0.17 0.74 1.25 0.00 -0.55 0.00 0.00 41.25 42.86 1n5w s ASN 120 CO 0.82 -0.23 1.80 -0.65 -2.79 0.00 0.00 177.10 176.05 1n5w h PRO 121 N 6.88 0.00 -2.14 0.43 0.11 -1.76 -3.35 132.00 132.17 1n5w h PRO 121 Ca 0.06 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.60 1n5w h PRO 121 Cb 1.07 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.78 1n5w h PRO 121 CO 0.18 0.00 -1.00 0.45 -0.21 0.00 0.00 178.00 177.43 1n5w n SER 122 N -2.45 0.61 -4.85 -2.05 2.88 -1.26 -4.85 113.62 101.66 1n5w n SER 122 Ca 0.00 -2.74 -0.32 0.00 -1.33 0.00 0.00 58.87 54.48 1n5w n SER 122 Cb 0.16 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 62.93 1n5w n SER 122 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n5w s PRO 123 N -1.11 4.00 0.97 -1.46 0.04 -1.25 -5.07 135.00 131.12 1n5w s PRO 123 Ca 0.35 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 1n5w s PRO 123 Cb 0.13 -2.31 0.18 0.00 0.04 0.00 0.00 34.50 32.54 1n5w s PRO 123 CO -0.12 -0.01 1.19 0.95 0.04 0.00 0.00 177.00 179.05 1n5w s THR 124 N -2.23 1.92 0.20 1.26 -4.23 -1.26 -4.83 115.64 106.48 1n5w s THR 124 Ca 0.56 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.97 1n5w s THR 124 Cb -0.10 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 71.08 1n5w s THR 124 CO 0.22 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 176.02 1n5w h GLU 125 N -1.70 1.01 -0.71 3.99 4.81 -1.99 0.03 114.58 120.02 1n5w h GLU 125 Ca -0.47 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 58.56 1n5w h GLU 125 Cb 1.30 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1n5w h GLU 125 CO 0.51 0.77 0.19 0.00 -0.73 0.00 0.00 179.01 179.75 1n5w h ALA 126 N 1.18 0.93 -0.35 2.92 0.00 -2.00 -1.29 119.26 120.66 1n5w h ALA 126 Ca 0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1n5w h ALA 126 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n5w h ALA 126 CO -0.04 0.64 -0.02 0.93 0.00 0.00 0.00 179.25 180.77 1n5w h GLU 127 N 1.06 0.55 0.17 0.00 5.08 -1.77 -1.63 114.58 118.05 1n5w h GLU 127 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1n5w h GLU 127 Cb 0.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1n5w h GLU 127 CO -0.00 0.59 -0.08 0.82 -1.00 0.00 0.00 179.01 179.33 1n5w h ILE 128 N 0.52 0.94 -0.36 3.13 2.04 -0.54 -0.21 117.51 123.03 1n5w h ILE 128 Ca 0.11 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.39 1n5w h ILE 128 Cb 0.36 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1n5w h ILE 128 CO 0.01 0.14 0.14 0.03 0.00 0.00 0.00 178.15 178.48 1n5w h ARG 129 N -0.53 0.30 -0.49 2.37 3.08 -1.11 -1.30 114.38 116.70 1n5w h ARG 129 Ca -0.02 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1n5w h ARG 129 Cb 0.41 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1n5w h ARG 129 CO 0.04 0.20 0.07 0.35 -1.07 0.00 0.00 179.97 179.56 1n5w h PHE 130 N 0.31 0.80 0.00 3.04 3.04 -1.33 -2.99 116.94 119.80 1n5w h PHE 130 Ca 0.16 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1n5w h PHE 130 Cb 0.12 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.40 1n5w h PHE 130 CO -0.13 0.70 0.00 0.78 -2.02 0.00 0.00 178.31 177.65 1n5w h GLY 131 N 0.95 0.00 -1.09 2.40 0.00 -0.18 -1.88 103.07 103.28 1n5w h GLY 131 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1n5w h GLY 131 CO 0.01 0.00 -0.17 0.29 0.00 0.00 0.00 176.54 176.67 1n5w n ILE 132 N -2.51 2.22 0.29 2.60 -5.35 -0.57 -4.77 119.36 111.28 1n5w n ILE 132 Ca 0.02 -2.61 0.17 0.00 -0.27 0.00 0.00 62.75 60.06 1n5w n ILE 132 Cb 0.29 -0.26 0.89 0.00 -1.74 0.00 0.00 39.64 38.82 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 0.85 0.00 1.10 3.28 0.00 -1.22 -1.29 103.07 105.79 1n5w h GLY 133 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1n5w h GLY 133 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1n5w n GLY 134 N -0.69 -1.04 3.08 4.60 0.00 -1.26 -4.80 105.19 105.07 1n5w n GLY 134 Ca -0.02 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.10 3.52 0.05 1.61 0.01 -0.49 -2.77 114.94 114.77 1n5w s ASN 135 Ca 0.44 -0.89 -0.14 0.00 -0.71 0.00 0.00 52.86 51.56 1n5w s ASN 135 Cb 0.21 -1.43 -0.06 0.00 0.41 0.00 0.00 41.25 40.38 1n5w s ASN 135 CO 0.38 -0.08 0.44 -0.76 -1.51 0.00 0.00 177.10 175.57 1n5w s LEU 136 N 1.27 4.43 -0.02 0.60 1.43 -0.21 -5.00 118.68 121.19 1n5w s LEU 136 Ca -0.00 0.97 0.05 0.00 -1.03 0.00 0.00 54.13 54.12 1n5w s LEU 136 Cb -0.16 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 1n5w s LEU 136 CO -0.10 0.25 -0.17 0.00 0.23 0.00 0.00 176.35 176.56 1n5w n ARG 138 N 2.80 0.64 -0.03 0.00 5.12 -1.26 -4.68 116.66 119.26 1n5w n ARG 138 Ca -0.16 0.04 -0.21 0.00 -1.93 0.00 0.00 57.85 55.59 1n5w n ARG 138 Cb 0.54 -1.67 -0.13 0.00 -1.16 0.00 0.00 32.46 30.03 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 -3.48 0.58 -1.42 0.00 -2.24 -1.26 -4.96 114.28 101.50 1n5w n THR 140 Ca -0.35 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 60.69 1n5w n THR 140 Cb 1.02 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.31 1.49 4.61 3.38 0.00 -1.26 -4.08 105.19 110.65 1n5w n GLY 141 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.55 0.00 -0.15 1.61 4.01 -1.26 -4.79 117.16 114.03 1n5w n TYR 142 Ca -0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.57 1n5w n TYR 142 Cb 0.49 -0.10 0.06 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.13 0.12 0.00 -0.72 4.15 -2.00 -1.08 115.11 115.71 1n5w h GLN 143 Ca 0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1n5w h GLN 143 Cb 0.00 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1n5w h GLN 143 CO 0.00 0.08 -0.15 -0.91 -1.93 0.00 0.00 178.83 175.92 1n5w h ASN 144 N 0.12 0.00 -0.41 -0.69 2.35 -1.86 -2.71 115.58 112.39 1n5w h ASN 144 Ca 0.25 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 1n5w h ASN 144 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1n5w h ASN 144 CO -0.40 0.15 -0.26 0.40 -1.65 0.00 0.00 177.43 175.67 1n5w h ILE 145 N 0.00 1.27 -0.52 2.81 2.04 -1.51 -0.41 117.51 121.19 1n5w h ILE 145 Ca -0.00 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1n5w h ILE 145 Cb 0.93 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1n5w h ILE 145 CO 0.02 0.48 0.27 0.58 0.00 0.00 0.00 178.15 179.51 1n5w h VAL 146 N 0.79 1.18 -0.60 1.67 2.07 -1.07 -1.61 116.25 118.70 1n5w h VAL 146 Ca 0.10 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1n5w h VAL 146 Cb 0.83 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1n5w h VAL 146 CO 0.07 0.20 0.33 0.11 0.02 0.00 0.00 177.57 178.31 1n5w h LYS 147 N 0.70 0.62 -0.43 1.57 1.57 -1.34 -1.09 116.57 118.16 1n5w h LYS 147 Ca 0.18 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1n5w h LYS 147 Cb 0.07 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1n5w h LYS 147 CO -0.03 0.41 0.19 0.00 -0.57 0.00 0.00 179.45 179.45 1n5w h ALA 148 N 1.30 0.53 -0.26 3.86 0.00 -0.50 0.31 119.26 124.49 1n5w h ALA 148 Ca 0.26 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1n5w h ALA 148 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1n5w h ALA 148 CO -0.15 -0.18 -0.39 0.82 0.00 0.00 0.00 179.25 179.34 1n5w h ILE 149 N 0.38 1.29 -0.31 0.00 2.04 -0.98 -1.38 117.51 118.55 1n5w h ILE 149 Ca 0.19 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1n5w h ILE 149 Cb 0.13 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1n5w h ILE 149 CO -0.16 0.50 0.15 1.56 0.00 0.00 0.00 178.15 180.20 1n5w h GLN 150 N 0.51 0.45 -0.56 2.37 4.20 -0.91 -0.51 115.11 120.66 1n5w h GLN 150 Ca 0.05 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.75 1n5w h GLN 150 Cb 0.91 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 1n5w h GLN 150 CO 0.08 0.42 0.26 -0.92 -0.67 0.00 0.00 178.83 178.01 1n5w h TYR 151 N 0.37 0.48 -0.44 2.96 5.03 -0.78 -1.34 116.97 123.25 1n5w h TYR 151 Ca 0.11 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.32 1n5w h TYR 151 Cb 0.12 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1n5w h TYR 151 CO -0.02 0.20 -0.21 0.00 -1.32 0.00 0.00 178.16 176.82 1n5w h ALA 152 N 1.33 0.80 -0.38 1.82 0.00 -0.86 -1.55 119.26 120.42 1n5w h ALA 152 Ca 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1n5w h ALA 152 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1n5w h ALA 152 CO -0.21 0.65 0.15 0.00 0.00 0.00 0.00 179.25 179.85 1n5w h ALA 153 N 0.99 0.49 -0.40 0.00 0.00 -0.85 -0.75 119.26 118.75 1n5w h ALA 153 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1n5w h ALA 153 Cb 0.75 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1n5w h ALA 153 CO 0.06 0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.45 1n5w h ALA 154 N 1.00 1.33 -0.34 0.00 0.00 -0.98 0.10 119.26 120.37 1n5w h ALA 154 Ca 0.13 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1n5w h ALA 154 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n5w h ALA 154 CO -0.01 0.46 -0.22 0.87 0.00 0.00 0.00 179.25 180.35 1n5w h LYS 155 N 0.59 0.75 -0.40 0.00 1.79 -0.74 -0.23 116.57 118.34 1n5w h LYS 155 Ca 0.13 -0.35 -0.12 0.00 -2.18 0.00 0.00 60.65 58.13 1n5w h LYS 155 Cb 0.31 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1n5w h LYS 155 CO 0.01 0.97 -0.20 0.82 -1.08 0.00 0.00 179.45 179.96 1n5w h ILE 156 N 0.53 1.28 0.00 1.86 2.04 -0.88 -3.21 117.51 119.12 1n5w h ILE 156 Ca 0.07 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1n5w h ILE 156 Cb 0.78 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1n5w h ILE 156 CO 0.06 0.45 -0.30 0.78 0.00 0.00 0.00 178.15 179.14 1n5w h ASN 157 N 0.65 0.00 0.00 1.72 2.35 -0.77 -3.48 115.58 116.05 1n5w h ASN 157 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1n5w h ASN 157 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1n5w h ASN 157 CO 0.06 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 1n5w n GLY 158 N 1.13 0.64 3.42 2.83 0.00 -0.11 -5.00 105.19 108.09 1n5w n GLY 158 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1n5w n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n5w s VAL 159 N -2.45 0.01 0.53 1.61 0.11 -1.11 -5.05 120.40 114.05 1n5w s VAL 159 Ca 0.00 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 1n5w s VAL 159 Cb 0.00 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1n5w s VAL 159 CO 0.00 -0.05 0.90 -2.16 -3.33 0.00 0.00 175.10 170.47 1n5w s PRO 160 N -0.27 3.65 0.00 1.54 0.04 -1.26 -4.38 135.00 134.31 1n5w s PRO 160 Ca -0.04 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1n5w s PRO 160 Cb -0.03 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1n5w s PRO 160 CO 0.03 -0.33 0.00 0.34 0.04 0.00 0.00 177.00 177.08 1n5w n PHE 161 N -2.23 0.00 -3.31 0.56 7.35 -1.26 -5.06 117.46 113.51 1n5w n PHE 161 Ca 0.04 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.51 1n5w n PHE 161 Cb 0.54 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.37 1n5w n PHE 161 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1n5w s GLU 162 N 0.00 3.16 0.00 -4.13 2.02 -1.26 -5.22 118.70 113.27 1n5w s GLU 162 Ca 0.00 -0.71 0.30 0.00 0.02 0.00 0.00 54.97 54.58 1n5w s GLU 162 Cb 0.00 -2.71 1.80 0.00 0.10 0.00 0.00 34.13 33.33 1n5w s GLU 162 CO 0.00 -0.03 2.13 0.39 0.02 0.00 0.00 175.26 177.77