#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n60 s ALA 4 N 0.00 3.76 -0.16 7.82 0.00 0.78 -4.81 121.76 129.15 1n60 s ALA 4 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 1n60 s ALA 4 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1n60 s ALA 4 CO 0.00 0.57 0.49 -1.58 0.00 0.00 0.00 175.76 175.24 1n60 s HIS 5 N -1.27 3.44 0.15 0.00 2.46 -1.26 -0.43 115.29 118.38 1n60 s HIS 5 Ca 0.28 0.82 0.10 0.00 0.47 0.00 0.00 55.06 56.73 1n60 s HIS 5 Cb -0.14 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.66 1n60 s HIS 5 CO 0.15 0.03 -0.23 0.96 -2.47 0.00 0.00 174.74 173.19 1n60 s ILE 6 N 1.14 2.10 -0.02 0.89 -4.36 0.23 -4.98 121.20 116.19 1n60 s ILE 6 Ca 0.25 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 1n60 s ILE 6 Cb -0.15 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.66 1n60 s ILE 6 CO 0.10 -0.09 0.01 -1.61 0.24 0.00 0.00 174.94 173.59 1n60 s GLU 7 N -2.39 0.17 0.24 0.37 2.02 -1.26 -1.14 118.70 116.71 1n60 s GLU 7 Ca 0.15 0.11 -0.07 0.00 0.02 0.00 0.00 54.97 55.19 1n60 s GLU 7 Cb -0.08 -0.37 0.03 0.00 0.10 0.00 0.00 34.13 33.80 1n60 s GLU 7 CO 0.07 -0.14 0.44 1.47 0.02 0.00 0.00 175.26 177.12 1n60 n LEU 8 N 4.09 0.00 -4.18 1.80 -0.00 -0.30 -0.03 117.00 118.37 1n60 n LEU 8 Ca -0.27 -1.71 -0.28 0.00 -0.00 0.00 0.00 56.01 53.75 1n60 n LEU 8 Cb 0.51 2.16 -0.16 0.00 -0.00 0.00 0.00 43.42 45.92 1n60 n LEU 8 CO 0.23 -0.50 -0.53 -0.89 -0.00 0.00 0.00 177.39 175.70 1n60 s THR 9 N -2.52 1.68 -0.07 1.47 2.01 -0.33 -0.17 115.64 117.72 1n60 s THR 9 Ca 0.13 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1n60 s THR 9 Cb -0.02 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1n60 s THR 9 CO 0.10 0.48 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.82 1n60 s ILE 10 N 0.02 0.69 -1.57 1.82 1.01 -0.10 -0.37 121.20 122.70 1n60 s ILE 10 Ca -0.06 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 1n60 s ILE 10 Cb -0.13 -0.74 0.10 0.00 0.01 0.00 0.00 42.46 41.71 1n60 s ILE 10 CO 0.03 0.29 0.93 0.59 0.00 0.00 0.00 174.94 176.78 1n60 n ASN 11 N 4.56 -4.49 0.00 3.58 5.03 0.48 -1.24 115.26 123.19 1n60 n ASN 11 Ca -0.16 -0.82 0.00 0.00 0.87 0.00 0.00 54.58 54.47 1n60 n ASN 11 Cb 0.50 -3.60 0.00 0.00 -1.02 0.00 0.00 39.78 35.66 1n60 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n60 n GLY 12 N -1.61 1.48 3.60 7.41 0.00 -1.26 -4.97 105.19 109.85 1n60 n GLY 12 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1n60 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n60 s HIS 13 N -3.40 3.00 0.40 1.61 3.76 -0.37 -5.08 115.29 115.21 1n60 s HIS 13 Ca 0.00 0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 1n60 s HIS 13 Cb 0.00 -1.74 -0.09 0.00 1.11 0.00 0.00 32.58 31.86 1n60 s HIS 13 CO 0.00 0.35 1.35 -2.14 -0.85 0.00 0.00 174.74 173.45 1n60 s PRO 14 N -0.77 3.98 -0.02 8.40 0.02 -1.26 -0.92 135.00 144.42 1n60 s PRO 14 Ca 0.12 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.43 1n60 s PRO 14 Cb -0.11 -2.80 -0.00 0.00 0.02 0.00 0.00 34.50 31.60 1n60 s PRO 14 CO 0.02 -0.52 -0.10 0.08 -0.33 0.00 0.00 177.00 176.14 1n60 s VAL 15 N -1.22 0.83 -0.01 3.83 1.01 0.76 -4.87 120.40 120.74 1n60 s VAL 15 Ca 0.56 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1n60 s VAL 15 Cb -0.40 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1n60 s VAL 15 CO 0.53 0.25 -0.06 -1.61 0.00 0.00 0.00 175.10 174.21 1n60 s GLU 16 N -0.04 0.53 0.21 2.72 2.02 -1.26 -1.16 118.70 121.72 1n60 s GLU 16 Ca 0.01 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.62 1n60 s GLU 16 Cb -0.06 -0.53 0.03 0.00 0.10 0.00 0.00 34.13 33.67 1n60 s GLU 16 CO 0.00 0.09 0.57 0.00 0.02 0.00 0.00 175.26 175.94 1n60 s ALA 17 N 0.06 -1.06 -0.17 5.21 0.00 -0.30 -5.00 121.76 120.51 1n60 s ALA 17 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1n60 s ALA 17 Cb -0.05 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1n60 s ALA 17 CO -0.00 -0.84 -0.07 -0.51 0.00 0.00 0.00 175.76 174.33 1n60 s LEU 18 N -2.87 2.90 0.05 0.00 1.43 -1.26 -0.60 118.68 118.34 1n60 s LEU 18 Ca 0.09 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1n60 s LEU 18 Cb -0.02 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1n60 s LEU 18 CO -0.02 0.08 -0.11 0.68 0.23 0.00 0.00 176.35 177.21 1n60 s VAL 19 N 0.85 0.88 0.32 -1.59 -7.23 0.43 -4.90 120.40 109.16 1n60 s VAL 19 Ca -0.02 -1.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 1n60 s VAL 19 Cb -0.15 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.83 1n60 s VAL 19 CO 0.01 -0.21 1.30 -1.61 -0.31 0.00 0.00 175.10 174.27 1n60 s GLU 20 N -1.48 4.37 0.46 4.82 2.02 -1.26 -0.16 118.70 127.48 1n60 s GLU 20 Ca -0.04 2.19 0.19 0.00 0.02 0.00 0.00 54.97 57.33 1n60 s GLU 20 Cb -0.09 -3.08 1.17 0.00 0.10 0.00 0.00 34.13 32.23 1n60 s GLU 20 CO 0.01 -0.17 1.94 -1.35 0.02 0.00 0.00 175.26 175.71 1n60 h PRO 21 N 3.47 0.27 0.00 0.39 0.11 -1.96 -1.64 132.00 132.64 1n60 h PRO 21 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n60 h PRO 21 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1n60 h PRO 21 CO 0.66 0.18 0.00 2.89 -0.21 0.00 0.00 178.00 181.52 1n60 n ARG 22 N -4.44 0.31 -1.97 1.05 1.85 -1.26 -4.59 116.66 107.61 1n60 n ARG 22 Ca 0.13 0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.59 1n60 n ARG 22 Cb 0.56 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.45 1n60 n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n60 s THR 23 N -2.66 3.35 0.42 8.89 2.01 -0.62 -4.95 115.64 122.09 1n60 s THR 23 Ca 0.23 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.59 1n60 s THR 23 Cb 0.18 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 69.23 1n60 s THR 23 CO 0.43 -0.03 1.16 -0.76 -0.69 0.00 0.00 174.62 174.72 1n60 s LEU 24 N 3.45 4.11 0.28 4.42 1.43 -1.26 -0.77 118.68 130.33 1n60 s LEU 24 Ca 0.74 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 1n60 s LEU 24 Cb -0.36 -4.13 0.53 0.00 0.03 0.00 0.00 46.19 42.26 1n60 s LEU 24 CO 0.31 -0.76 1.83 0.25 0.23 0.00 0.00 176.35 178.21 1n60 h LEU 25 N 2.37 0.87 -1.09 1.79 5.85 -0.57 -0.68 115.31 123.86 1n60 h LEU 25 Ca -0.49 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1n60 h LEU 25 Cb 1.24 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1n60 h LEU 25 CO 0.61 0.46 0.28 -0.29 -0.34 0.00 0.00 178.44 179.17 1n60 h ILE 26 N 0.95 1.22 -0.21 4.05 6.09 -1.32 -0.29 117.51 127.99 1n60 h ILE 26 Ca 0.48 -0.65 -0.19 0.00 -1.37 0.00 0.00 64.86 63.14 1n60 h ILE 26 Cb 0.48 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.20 1n60 h ILE 26 CO -0.27 0.26 -0.63 0.45 -3.07 0.00 0.00 178.15 174.90 1n60 h HIS 27 N 0.91 0.97 -0.27 2.19 3.86 -1.47 -1.04 115.15 120.31 1n60 h HIS 27 Ca 0.22 -0.38 0.03 0.00 -1.16 0.00 0.00 60.37 59.09 1n60 h HIS 27 Cb 0.14 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1n60 h HIS 27 CO 0.01 1.19 0.06 0.35 0.86 0.00 0.00 177.93 180.40 1n60 h PHE 28 N 0.56 0.11 -0.08 2.45 3.57 -0.59 0.20 116.94 123.15 1n60 h PHE 28 Ca -0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n60 h PHE 28 Cb 1.23 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1n60 h PHE 28 CO 0.07 0.04 0.04 0.82 -2.23 0.00 0.00 178.31 177.04 1n60 h ILE 29 N 0.17 1.11 0.08 1.41 2.04 -0.94 -0.99 117.51 120.40 1n60 h ILE 29 Ca 0.12 -0.32 -0.20 0.00 1.00 0.00 0.00 64.86 65.46 1n60 h ILE 29 Cb 0.12 1.18 0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1n60 h ILE 29 CO -0.15 0.09 -0.85 0.03 0.00 0.00 0.00 178.15 177.27 1n60 h ARG 30 N 0.00 0.42 0.04 2.37 3.08 -1.06 -0.70 114.38 118.53 1n60 h ARG 30 Ca 0.03 -0.57 -0.24 0.00 0.07 0.00 0.00 59.98 59.26 1n60 h ARG 30 Cb 0.12 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1n60 h ARG 30 CO -0.00 1.23 -1.31 0.93 -1.07 0.00 0.00 179.97 179.74 1n60 h GLU 31 N -0.11 0.09 0.16 0.04 4.39 -0.70 -3.00 114.58 115.45 1n60 h GLU 31 Ca -0.13 -0.15 -0.33 0.00 0.34 0.00 0.00 59.36 59.09 1n60 h GLU 31 Cb 1.59 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1n60 h GLU 31 CO 0.16 1.07 -1.71 1.96 -1.16 0.00 0.00 179.01 179.33 1n60 h GLN 32 N -0.70 0.33 -0.00 2.33 4.20 -1.42 -3.37 115.11 116.48 1n60 h GLN 32 Ca -0.33 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 57.82 1n60 h GLN 32 Cb 1.48 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.47 1n60 h GLN 32 CO -0.10 1.27 -0.43 1.04 -0.67 0.00 0.00 178.83 179.94 1n60 n GLN 33 N -3.67 0.33 -2.38 1.46 1.13 -0.43 -4.95 117.38 108.87 1n60 n GLN 33 Ca -0.26 -0.20 -0.18 0.00 -1.94 0.00 0.00 57.00 54.42 1n60 n GLN 33 Cb 1.02 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.86 1n60 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n60 n ASN 34 N -1.16 -5.27 -4.35 1.08 3.02 -1.02 -4.91 115.26 102.64 1n60 n ASN 34 Ca 0.08 0.06 -0.46 0.00 -0.03 0.00 0.00 54.58 54.24 1n60 n ASN 34 Cb 0.34 -4.42 -0.01 0.00 -0.61 0.00 0.00 39.78 35.08 1n60 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n60 s LEU 35 N -5.86 6.35 -0.01 3.41 1.43 -0.30 -4.87 118.68 118.84 1n60 s LEU 35 Ca 0.00 -3.05 0.12 0.00 -1.03 0.00 0.00 54.13 50.17 1n60 s LEU 35 Cb 0.00 -2.24 0.35 0.00 0.03 0.00 0.00 46.19 44.34 1n60 s LEU 35 CO 0.00 -0.50 1.28 0.35 0.23 0.00 0.00 176.35 177.71 1n60 n THR 36 N 3.59 0.59 -0.01 5.49 -2.24 -1.26 -3.91 114.28 116.53 1n60 n THR 36 Ca 0.20 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 1n60 n THR 36 Cb 0.44 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 1n60 n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n60 h GLY 37 N 5.10 0.10 -3.84 3.38 0.00 -1.96 -3.43 103.07 102.42 1n60 h GLY 37 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 47.33 46.72 1n60 h GLY 37 CO 0.02 0.06 0.65 0.00 0.00 0.00 0.00 176.54 177.27 1n60 n ALA 38 N -2.22 1.89 -2.36 3.60 0.00 -1.26 -4.69 120.51 115.48 1n60 n ALA 38 Ca -0.07 0.31 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1n60 n ALA 38 Cb 0.14 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.13 1n60 n ALA 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1n60 s HIS 39 N -1.15 1.70 -0.22 0.00 3.76 -0.92 -4.93 115.29 113.54 1n60 s HIS 39 Ca 0.57 -0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 54.74 1n60 s HIS 39 Cb -0.49 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 1n60 s HIS 39 CO 0.61 0.23 -0.02 0.42 -0.85 0.00 0.00 174.74 175.13 1n60 s ILE 40 N -3.10 3.57 -0.23 0.60 1.01 -1.26 -1.37 121.20 120.41 1n60 s ILE 40 Ca 0.25 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1n60 s ILE 40 Cb 0.02 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.87 1n60 s ILE 40 CO 0.08 0.42 0.43 0.61 0.00 0.00 0.00 174.94 176.48 1n60 n GLY 41 N 4.68 -0.67 3.82 6.18 0.00 -1.26 -5.04 105.19 112.89 1n60 n GLY 41 Ca -0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 1n60 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 n ASP 43 N -0.69 1.85 0.00 0.00 5.68 -1.26 -4.73 116.55 117.39 1n60 n ASP 43 Ca -0.05 -2.74 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1n60 n ASP 43 Cb 0.60 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1n60 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1n60 n THR 44 N -1.06 0.09 -1.00 2.12 -2.24 -1.26 -5.03 114.28 105.91 1n60 n THR 44 Ca 0.11 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1n60 n THR 44 Cb 0.61 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 1n60 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n60 n SER 45 N -0.05 -2.99 0.02 3.42 7.64 -1.26 -4.96 113.62 115.44 1n60 n SER 45 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1n60 n SER 45 Cb 0.26 -0.50 -0.14 0.00 -1.01 0.00 0.00 64.21 62.82 1n60 n SER 45 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1n60 h HIS 46 N 0.00 0.46 0.00 1.43 3.86 -1.94 -3.42 115.15 115.54 1n60 h HIS 46 Ca 0.00 -0.34 -0.12 0.00 -1.16 0.00 0.00 60.37 58.75 1n60 h HIS 46 Cb 0.00 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1n60 h HIS 46 CO 0.00 1.63 -0.72 0.00 0.86 0.00 0.00 177.93 179.70 1n60 n GLY 48 N 1.27 0.35 0.26 0.00 0.00 -1.12 -0.43 105.19 105.52 1n60 n GLY 48 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1n60 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 h ALA 49 N 0.00 1.00 -0.58 4.61 0.00 -1.87 -1.54 119.26 120.87 1n60 h ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n60 h ALA 49 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n60 h ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1n60 s THR 51 N -1.37 2.80 0.22 0.00 2.01 -0.58 -2.69 115.64 116.03 1n60 s THR 51 Ca 0.40 0.61 0.06 0.00 0.31 0.00 0.00 61.69 63.08 1n60 s THR 51 Cb 0.23 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1n60 s THR 51 CO 0.25 0.07 -0.08 0.68 -0.69 0.00 0.00 174.62 174.85 1n60 s VAL 52 N 0.60 1.46 -0.23 3.82 -7.23 -0.37 -4.50 120.40 113.93 1n60 s VAL 52 Ca 0.64 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1n60 s VAL 52 Cb -0.41 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1n60 s VAL 52 CO 0.36 -0.47 0.34 -0.62 -0.31 0.00 0.00 175.10 174.40 1n60 s ASP 53 N -3.33 6.30 -0.12 4.85 2.15 -0.59 -1.21 116.67 124.72 1n60 s ASP 53 Ca 0.25 0.35 -0.02 0.00 0.43 0.00 0.00 52.55 53.55 1n60 s ASP 53 Cb 0.03 -2.20 0.04 0.00 -0.30 0.00 0.00 42.92 40.49 1n60 s ASP 53 CO 0.08 -0.08 0.03 -0.22 -0.17 0.00 0.00 175.17 174.81 1n60 s LEU 54 N 1.52 0.69 -1.56 -1.34 0.20 0.50 -0.09 118.68 118.60 1n60 s LEU 54 Ca 0.15 -0.39 -0.09 0.00 0.69 0.00 0.00 54.13 54.49 1n60 s LEU 54 Cb -0.15 -0.43 0.08 0.00 -0.43 0.00 0.00 46.19 45.26 1n60 s LEU 54 CO 0.08 -0.26 0.55 0.47 -0.29 0.00 0.00 176.35 176.90 1n60 n ASP 55 N 5.15 -1.58 0.00 3.68 8.00 -0.21 -0.86 116.55 130.73 1n60 n ASP 55 Ca -0.07 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1n60 n ASP 55 Cb 0.49 -2.76 0.00 0.00 -0.02 0.00 0.00 41.12 38.83 1n60 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n60 n GLY 56 N -1.77 0.46 3.23 0.44 0.00 -1.26 -5.02 105.19 101.27 1n60 n GLY 56 Ca -0.13 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1n60 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n60 s MET 57 N -0.68 0.98 -0.26 1.61 -1.94 -0.04 -5.08 119.30 113.90 1n60 s MET 57 Ca 0.00 -1.07 -0.24 0.00 -1.71 0.00 0.00 55.69 52.67 1n60 s MET 57 Cb 0.00 -1.11 -0.00 0.00 2.01 0.00 0.00 34.83 35.73 1n60 s MET 57 CO 0.00 0.25 0.82 -1.12 -0.01 0.00 0.00 175.02 174.96 1n60 s SER 58 N -1.85 6.79 -0.05 3.03 0.01 -1.26 -0.37 113.70 120.00 1n60 s SER 58 Ca 0.03 0.94 0.04 0.00 1.31 0.00 0.00 55.95 58.27 1n60 s SER 58 Cb -0.10 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1n60 s SER 58 CO 0.03 -0.54 -0.17 -0.69 0.41 0.00 0.00 173.24 172.28 1n60 s VAL 59 N 2.88 1.44 -0.79 3.43 1.01 -0.35 -4.98 120.40 123.04 1n60 s VAL 59 Ca 0.34 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1n60 s VAL 59 Cb -0.15 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1n60 s VAL 59 CO 0.09 0.42 1.40 -0.54 0.00 0.00 0.00 175.10 176.46 1n60 s LYS 60 N 0.18 3.19 0.00 2.72 1.02 -1.26 -1.24 119.74 124.35 1n60 s LYS 60 Ca -0.07 -0.32 0.09 0.00 0.02 0.00 0.00 55.97 55.68 1n60 s LYS 60 Cb -0.13 -4.47 0.38 0.00 -0.52 0.00 0.00 37.83 33.10 1n60 s LYS 60 CO 0.03 -2.27 1.26 -1.13 -0.92 0.00 0.00 175.35 172.32 1n60 n SER 61 N 9.81 0.00 -0.05 2.83 3.41 -1.10 -0.86 113.62 127.66 1n60 n SER 61 Ca 0.12 0.44 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 1n60 n SER 61 Cb 0.50 -0.46 0.82 0.00 -0.26 0.00 0.00 64.21 64.80 1n60 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n60 n THR 63 N -0.98 2.21 -3.67 0.00 -1.04 -0.04 -4.91 114.28 105.85 1n60 n THR 63 Ca 0.20 -3.70 -0.14 0.00 -2.04 0.00 0.00 64.05 58.37 1n60 n THR 63 Cb 0.19 -0.57 -0.08 0.00 -1.82 0.00 0.00 70.33 68.05 1n60 n THR 63 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n60 s MET 64 N -3.37 0.69 0.24 -2.82 0.00 -1.24 -4.99 119.30 107.81 1n60 s MET 64 Ca 0.44 0.70 -0.18 0.00 0.00 0.00 0.00 55.69 56.66 1n60 s MET 64 Cb 0.39 0.34 -0.08 0.00 0.00 0.00 0.00 34.83 35.47 1n60 s MET 64 CO -0.01 -0.10 0.71 -0.06 0.00 0.00 0.00 175.02 175.56 1n60 s PHE 65 N 0.11 3.58 0.33 4.11 0.08 -1.26 -0.37 117.98 124.56 1n60 s PHE 65 Ca -0.01 1.31 0.09 0.00 0.12 0.00 0.00 56.93 58.43 1n60 s PHE 65 Cb -0.04 -2.57 0.81 0.00 -0.57 0.00 0.00 43.02 40.65 1n60 s PHE 65 CO 0.02 0.29 1.81 0.00 -0.10 0.00 0.00 175.22 177.23 1n60 h ALA 66 N 3.14 1.81 0.00 5.36 0.00 -1.17 0.45 119.26 128.85 1n60 h ALA 66 Ca -0.48 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1n60 h ALA 66 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n60 h ALA 66 CO 0.65 -0.13 -0.01 -0.39 0.00 0.00 0.00 179.25 179.37 1n60 h VAL 67 N 0.70 0.99 0.00 0.00 -1.51 -1.81 0.13 116.25 114.74 1n60 h VAL 67 Ca 0.53 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 65.95 1n60 h VAL 67 Cb 0.91 1.02 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1n60 h VAL 67 CO -0.30 0.01 -0.06 1.56 -1.23 0.00 0.00 177.57 177.55 1n60 h GLN 68 N 0.00 0.00 -0.23 5.19 4.20 -1.27 -2.69 115.11 120.31 1n60 h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n60 h GLN 68 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1n60 h GLN 68 CO 0.00 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1n60 n ALA 69 N -2.15 2.50 -1.67 3.87 0.00 0.03 -4.89 120.51 118.19 1n60 n ALA 69 Ca -0.00 -0.57 -0.45 0.00 0.00 0.00 0.00 53.44 52.41 1n60 n ALA 69 Cb 0.28 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 1n60 n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n60 n ASN 70 N 0.42 3.11 0.00 0.00 5.15 -1.02 -0.75 115.26 122.18 1n60 n ASN 70 Ca 0.15 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.23 1n60 n ASN 70 Cb 0.33 -1.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 1n60 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n60 n GLY 71 N 3.20 1.41 3.88 8.20 0.00 0.95 -4.98 105.19 117.85 1n60 n GLY 71 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1n60 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 s ALA 72 N -3.79 2.75 -0.20 4.61 0.00 0.08 -4.83 121.76 120.38 1n60 s ALA 72 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1n60 s ALA 72 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1n60 s ALA 72 CO 0.00 -1.39 -0.11 0.45 0.00 0.00 0.00 175.76 174.71 1n60 s SER 73 N -4.40 3.80 -0.05 0.00 0.15 -1.26 -1.19 113.70 110.75 1n60 s SER 73 Ca 0.60 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.77 1n60 s SER 73 Cb -0.11 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.55 1n60 s SER 73 CO 0.51 -0.02 -0.17 -0.63 1.20 0.00 0.00 173.24 174.13 1n60 s ILE 74 N 1.39 2.79 -0.11 6.45 1.01 0.50 -1.05 121.20 132.18 1n60 s ILE 74 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1n60 s ILE 74 Cb -0.14 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 1n60 s ILE 74 CO -0.07 0.58 -0.14 -0.89 0.00 0.00 0.00 174.94 174.41 1n60 s THR 75 N -0.56 2.95 0.52 2.92 2.01 0.87 -0.39 115.64 123.96 1n60 s THR 75 Ca 0.08 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1n60 s THR 75 Cb -0.11 -2.21 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1n60 s THR 75 CO 0.01 0.54 0.37 0.42 -0.69 0.00 0.00 174.62 175.26 1n60 s THR 76 N 0.18 1.79 0.46 -0.82 -4.23 -1.26 -1.55 115.64 110.20 1n60 s THR 76 Ca -0.08 -1.51 0.11 0.00 -1.18 0.00 0.00 61.69 59.02 1n60 s THR 76 Cb -0.15 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.66 1n60 s THR 76 CO 0.05 0.00 2.09 -0.29 -0.54 0.00 0.00 174.62 175.94 1n60 h ILE 77 N 0.86 1.05 0.00 2.99 6.09 -1.90 0.47 117.51 127.07 1n60 h ILE 77 Ca -0.38 -0.11 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1n60 h ILE 77 Cb 1.30 0.71 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 1n60 h ILE 77 CO 0.59 0.06 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.38 1n60 h GLU 78 N 0.32 0.00 -0.08 2.19 3.07 -1.98 -2.12 114.58 115.97 1n60 h GLU 78 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1n60 h GLU 78 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1n60 h GLU 78 CO -0.02 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.01 1n60 n GLY 79 N -1.05 0.09 0.12 -3.84 0.00 0.15 -4.41 105.19 96.24 1n60 n GLY 79 Ca -0.03 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 1n60 n GLY 79 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n60 h MET 80 N 2.18 0.31 -7.12 1.61 2.86 -1.44 -3.46 114.93 109.86 1n60 h MET 80 Ca 0.00 -0.53 -0.52 0.00 -2.06 0.00 0.00 59.70 56.59 1n60 h MET 80 Cb 0.47 0.20 0.11 0.00 0.06 0.00 0.00 31.60 32.44 1n60 h MET 80 CO 0.00 1.20 0.44 0.00 1.06 0.00 0.00 176.91 179.61 1n60 s ALA 81 N -2.62 2.48 0.77 6.32 0.00 -1.26 -4.25 121.76 123.20 1n60 s ALA 81 Ca -0.08 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 1n60 s ALA 81 Cb 0.06 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.81 1n60 s ALA 81 CO 0.87 -1.26 1.09 0.00 0.00 0.00 0.00 175.76 176.47 1n60 s ALA 82 N -1.77 2.26 0.44 0.00 0.00 0.46 -4.87 121.76 118.27 1n60 s ALA 82 Ca 0.75 0.25 0.21 0.00 0.00 0.00 0.00 51.96 53.18 1n60 s ALA 82 Cb -0.28 -3.27 1.19 0.00 0.00 0.00 0.00 23.12 20.76 1n60 s ALA 82 CO 0.35 -1.76 1.84 -1.35 0.00 0.00 0.00 175.76 174.85 1n60 h PRO 83 N -1.12 0.29 -0.08 0.00 0.11 -1.94 0.86 132.00 130.12 1n60 h PRO 83 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n60 h PRO 83 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1n60 h PRO 83 CO 0.52 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1n60 n ASP 84 N -4.47 0.48 0.00 -2.05 5.68 -1.26 -4.86 116.55 110.07 1n60 n ASP 84 Ca 0.21 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 1n60 n ASP 84 Cb 0.81 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1n60 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n60 n GLY 85 N 0.73 1.66 3.74 6.12 0.00 0.29 -5.03 105.19 112.71 1n60 n GLY 85 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1n60 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n60 s THR 86 N -2.34 2.54 0.50 2.61 2.01 -1.26 -4.63 115.64 115.07 1n60 s THR 86 Ca 0.00 0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.23 1n60 s THR 86 Cb 0.00 -3.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 1n60 s THR 86 CO 0.00 0.07 1.23 -0.76 -0.69 0.00 0.00 174.62 174.48 1n60 s LEU 87 N -0.35 3.93 0.90 4.42 1.43 -1.26 -0.41 118.68 127.34 1n60 s LEU 87 Ca 0.60 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 56.06 1n60 s LEU 87 Cb -0.43 -4.28 0.13 0.00 0.03 0.00 0.00 46.19 41.64 1n60 s LEU 87 CO 0.44 -1.19 1.10 -0.94 0.23 0.00 0.00 176.35 175.98 1n60 s SER 88 N -1.24 3.33 0.24 2.29 1.04 -1.26 -4.76 113.70 113.34 1n60 s SER 88 Ca 0.67 1.79 -0.05 0.00 0.48 0.00 0.00 55.95 58.84 1n60 s SER 88 Cb -0.33 -2.40 0.40 0.00 0.10 0.00 0.00 66.02 63.79 1n60 s SER 88 CO 0.39 -2.77 1.78 0.00 0.98 0.00 0.00 173.24 173.62 1n60 h ALA 89 N -1.64 1.10 -0.33 5.32 0.00 -1.93 -0.09 119.26 121.68 1n60 h ALA 89 Ca -0.47 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1n60 h ALA 89 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1n60 h ALA 89 CO 0.49 -0.02 0.10 -0.07 0.00 0.00 0.00 179.25 179.76 1n60 h LEU 90 N 0.66 0.48 -0.46 0.00 3.38 -1.90 0.15 115.31 117.62 1n60 h LEU 90 Ca 0.39 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1n60 h LEU 90 Cb 0.43 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1n60 h LEU 90 CO -0.29 0.56 0.28 1.56 0.09 0.00 0.00 178.44 180.65 1n60 h GLN 91 N 0.38 0.56 -0.50 1.13 4.20 -1.71 -0.54 115.11 118.63 1n60 h GLN 91 Ca 0.11 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1n60 h GLN 91 Cb 0.25 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1n60 h GLN 91 CO -0.00 0.37 0.12 1.49 -0.67 0.00 0.00 178.83 180.13 1n60 h GLU 92 N 0.57 0.80 -0.85 1.46 4.81 -0.93 -2.73 114.58 117.71 1n60 h GLU 92 Ca 0.18 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1n60 h GLU 92 Cb -0.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1n60 h GLU 92 CO -0.07 0.77 0.44 0.78 -0.73 0.00 0.00 179.01 180.20 1n60 h GLY 93 N 0.68 1.29 1.19 1.92 0.00 -0.31 0.81 103.07 108.66 1n60 h GLY 93 Ca 0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1n60 h GLY 93 CO 0.00 0.58 0.29 0.74 0.00 0.00 0.00 176.54 178.15 1n60 h PHE 94 N 1.19 1.04 0.04 5.60 -1.00 -1.00 -0.13 116.94 122.69 1n60 h PHE 94 Ca 0.29 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 61.01 1n60 h PHE 94 Cb 0.08 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.32 1n60 h PHE 94 CO 0.01 0.79 -0.02 -0.09 -1.61 0.00 0.00 178.31 177.39 1n60 h ARG 95 N 1.01 -0.06 -0.93 1.51 2.43 -1.14 0.17 114.38 117.37 1n60 h ARG 95 Ca 0.24 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1n60 h ARG 95 Cb 0.18 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1n60 h ARG 95 CO -0.02 0.39 0.55 0.52 -1.51 0.00 0.00 179.97 179.89 1n60 h MET 96 N -0.52 1.28 -0.42 0.20 2.86 -0.64 -2.73 114.93 114.95 1n60 h MET 96 Ca -0.01 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1n60 h MET 96 Cb 0.47 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1n60 h MET 96 CO 0.01 0.91 0.00 -1.33 1.06 0.00 0.00 176.91 177.56 1n60 n MET 97 N -4.34 2.25 -3.60 1.72 2.81 -0.08 -4.96 117.12 110.92 1n60 n MET 97 Ca 0.10 -1.91 -0.21 0.00 -1.81 0.00 0.00 57.70 53.87 1n60 n MET 97 Cb 0.07 -1.45 0.05 0.00 -0.71 0.00 0.00 33.22 31.18 1n60 n MET 97 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1n60 n HIS 98 N 1.08 -2.02 0.75 2.03 -0.00 -0.89 -4.77 115.22 111.40 1n60 n HIS 98 Ca 0.18 0.81 0.05 0.00 0.46 0.00 0.00 57.72 59.23 1n60 n HIS 98 Cb 0.49 -4.37 0.16 0.00 -0.12 0.00 0.00 29.99 26.15 1n60 n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n60 n GLY 99 N -1.47 0.89 3.28 1.57 0.00 0.56 -4.73 105.19 105.30 1n60 n GLY 99 Ca -0.25 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1n60 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n60 s LEU 100 N -1.05 0.68 0.00 0.99 2.34 -1.26 -4.62 118.68 115.76 1n60 s LEU 100 Ca 0.24 -0.32 0.00 0.00 0.06 0.00 0.00 54.13 54.11 1n60 s LEU 100 Cb 0.13 1.59 0.00 0.00 -0.56 0.00 0.00 46.19 47.35 1n60 s LEU 100 CO 0.15 -0.77 0.00 0.00 -1.06 0.00 0.00 176.35 174.67 1n60 n GLN 101 N 0.03 0.00 0.25 1.48 6.02 -1.26 -4.85 117.38 119.05 1n60 n GLN 101 Ca -0.17 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 56.96 1n60 n GLN 101 Cb 0.62 0.00 0.60 0.00 1.02 0.00 0.00 30.24 32.48 1n60 n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n60 n GLY 103 N -0.00 1.14 0.18 0.00 0.00 -1.26 -4.93 105.19 100.31 1n60 n GLY 103 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1n60 n GLY 103 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n60 h TYR 104 N 0.00 0.81 0.00 1.61 3.20 -1.99 -2.77 116.97 117.83 1n60 h TYR 104 Ca 0.00 -0.41 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1n60 h TYR 104 Cb 0.00 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1n60 h TYR 104 CO 0.00 1.23 0.00 0.00 -1.64 0.00 0.00 178.16 177.75 1n60 h THR 106 N 0.00 1.26 -0.50 0.00 2.02 -1.87 -0.13 112.91 113.69 1n60 h THR 106 Ca 0.00 -0.90 0.09 0.00 0.77 0.00 0.00 66.41 66.37 1n60 h THR 106 Cb 0.56 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.30 1n60 h THR 106 CO 0.00 0.28 0.06 -0.65 0.37 0.00 0.00 175.52 175.58 1n60 h PRO 107 N 0.17 0.18 -0.31 6.66 0.11 -1.79 0.90 132.00 137.92 1n60 h PRO 107 Ca 0.06 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 1n60 h PRO 107 Cb 0.41 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1n60 h PRO 107 CO 0.01 0.12 -0.16 0.78 -0.21 0.00 0.00 178.00 178.54 1n60 h GLY 108 N 0.18 0.59 0.84 -0.55 0.00 -1.55 -0.06 103.07 102.52 1n60 h GLY 108 Ca 0.25 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1n60 h GLY 108 CO -0.37 0.40 0.00 1.98 0.00 0.00 0.00 176.54 178.56 1n60 h MET 109 N 0.50 0.40 -0.43 4.80 -1.53 -0.47 -0.19 114.93 118.02 1n60 h MET 109 Ca 0.09 -0.13 -0.08 0.00 -3.44 0.00 0.00 59.70 56.14 1n60 h MET 109 Cb 0.56 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.56 1n60 h MET 109 CO 0.04 0.58 -0.04 0.82 0.14 0.00 0.00 176.91 178.45 1n60 h ILE 110 N 0.17 1.27 -0.53 1.77 2.04 -0.72 0.59 117.51 122.09 1n60 h ILE 110 Ca 0.07 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 1n60 h ILE 110 Cb 0.40 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1n60 h ILE 110 CO 0.01 0.38 0.11 0.24 0.00 0.00 0.00 178.15 178.89 1n60 h MET 111 N 0.61 0.83 -0.40 2.37 2.86 -0.92 0.12 114.93 120.41 1n60 h MET 111 Ca 0.12 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1n60 h MET 111 Cb 0.55 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1n60 h MET 111 CO 0.03 0.76 -0.07 -0.09 1.06 0.00 0.00 176.91 178.60 1n60 h ARG 112 N 0.80 0.75 -0.32 1.72 9.65 -0.89 -3.01 114.38 123.08 1n60 h ARG 112 Ca 0.17 -0.28 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1n60 h ARG 112 Cb 0.32 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1n60 h ARG 112 CO 0.00 0.88 -0.03 0.77 2.80 0.00 0.00 179.97 184.39 1n60 h SER 113 N 0.57 0.47 -0.50 -3.80 0.02 -0.40 0.55 113.55 110.46 1n60 h SER 113 Ca 0.10 -0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1n60 h SER 113 Cb 0.59 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 1n60 h SER 113 CO 0.04 0.56 0.16 -0.74 -1.14 0.00 0.00 176.83 175.71 1n60 h HIS 114 N 0.48 0.29 -0.26 3.45 -0.00 -0.65 -1.06 115.15 117.39 1n60 h HIS 114 Ca 0.10 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.30 1n60 h HIS 114 Cb 0.36 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1n60 h HIS 114 CO 0.01 0.08 -0.60 -0.09 -0.00 0.00 0.00 177.93 177.33 1n60 h ARG 115 N 0.33 0.85 -0.53 5.26 9.65 -1.24 -3.03 114.38 125.68 1n60 h ARG 115 Ca 0.24 -0.58 0.10 0.00 -1.10 0.00 0.00 59.98 58.65 1n60 h ARG 115 Cb 0.27 0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.85 1n60 h ARG 115 CO -0.26 1.20 0.01 1.25 2.80 0.00 0.00 179.97 184.97 1n60 h LEU 116 N 0.64 -0.21 -0.50 3.80 5.85 -0.55 0.13 115.31 124.47 1n60 h LEU 116 Ca -0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1n60 h LEU 116 Cb 1.22 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.46 1n60 h LEU 116 CO 0.13 -0.07 0.00 -0.07 -0.34 0.00 0.00 178.44 178.09 1n60 h LEU 117 N 0.13 0.00 0.21 2.25 3.38 -1.22 0.12 115.31 120.18 1n60 h LEU 117 Ca 0.27 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.92 1n60 h LEU 117 Cb 0.41 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.19 1n60 h LEU 117 CO -0.44 0.00 -1.42 1.56 0.09 0.00 0.00 178.44 178.23 1n60 h GLN 118 N 0.00 0.45 -0.62 1.13 4.20 -1.11 -2.95 115.11 116.20 1n60 h GLN 118 Ca 0.00 -0.76 -0.07 0.00 0.06 0.00 0.00 58.65 57.88 1n60 h GLN 118 Cb 0.52 0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1n60 h GLN 118 CO 0.00 1.36 0.12 0.93 -0.67 0.00 0.00 178.83 180.58 1n60 h GLU 119 N 0.12 1.00 -1.82 1.46 5.08 -0.06 -3.40 114.58 116.95 1n60 h GLU 119 Ca -0.22 -0.24 -0.27 0.00 -1.00 0.00 0.00 59.36 57.63 1n60 h GLU 119 Cb 2.11 -0.13 -0.30 0.00 0.50 0.00 0.00 28.75 30.93 1n60 h GLU 119 CO 0.25 0.90 -0.60 1.21 -1.00 0.00 0.00 179.01 179.77 1n60 s ASN 120 N -6.53 0.77 0.43 1.42 3.84 0.35 -5.03 114.94 110.20 1n60 s ASN 120 Ca -0.11 -0.90 0.30 0.00 0.21 0.00 0.00 52.86 52.36 1n60 s ASN 120 Cb 0.15 0.86 1.30 0.00 -0.55 0.00 0.00 41.25 43.02 1n60 s ASN 120 CO 0.83 -0.31 1.89 -0.65 -2.79 0.00 0.00 177.10 176.06 1n60 h PRO 121 N 7.72 0.00 -2.12 0.43 0.11 -1.75 -3.32 132.00 133.07 1n60 h PRO 121 Ca -0.04 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.49 1n60 h PRO 121 Cb 1.09 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.80 1n60 h PRO 121 CO 0.24 0.00 -0.91 0.43 -0.21 0.00 0.00 178.00 177.55 1n60 n SER 122 N -2.69 1.44 -4.83 -2.05 7.64 -1.26 -4.83 113.62 107.04 1n60 n SER 122 Ca 0.01 -2.94 -0.34 0.00 1.01 0.00 0.00 58.87 56.60 1n60 n SER 122 Cb 0.23 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.72 1n60 n SER 122 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1n60 s PRO 123 N -1.56 4.15 0.86 1.43 0.04 -1.25 -5.07 135.00 133.60 1n60 s PRO 123 Ca 0.36 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 1n60 s PRO 123 Cb 0.15 -2.58 0.11 0.00 0.04 0.00 0.00 34.50 32.22 1n60 s PRO 123 CO -0.08 0.22 1.15 0.95 0.04 0.00 0.00 177.00 179.28 1n60 s THR 124 N -1.82 2.16 0.24 1.26 -4.23 -1.26 -4.80 115.64 107.19 1n60 s THR 124 Ca 0.51 0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 61.01 1n60 s THR 124 Cb -0.13 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 71.04 1n60 s THR 124 CO 0.19 -0.07 1.90 -0.08 -0.54 0.00 0.00 174.62 176.02 1n60 h GLU 125 N -1.27 1.15 -0.78 3.99 4.81 -1.98 0.94 114.58 121.44 1n60 h GLU 125 Ca -0.48 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1n60 h GLU 125 Cb 1.32 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1n60 h GLU 125 CO 0.63 0.76 0.33 0.00 -0.73 0.00 0.00 179.01 180.01 1n60 h ALA 126 N 1.37 1.10 -0.42 2.92 0.00 -1.99 0.57 119.26 122.80 1n60 h ALA 126 Ca 0.36 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1n60 h ALA 126 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1n60 h ALA 126 CO -0.11 0.65 -0.06 0.93 0.00 0.00 0.00 179.25 180.66 1n60 h GLU 127 N 1.13 0.72 0.06 0.00 5.08 -1.72 -1.52 114.58 118.34 1n60 h GLU 127 Ca 0.26 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1n60 h GLU 127 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1n60 h GLU 127 CO -0.03 0.78 -0.03 0.82 -1.00 0.00 0.00 179.01 179.55 1n60 h ILE 128 N 0.67 1.12 -0.41 3.13 2.04 -0.02 0.11 117.51 124.15 1n60 h ILE 128 Ca 0.12 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1n60 h ILE 128 Cb 0.50 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1n60 h ILE 128 CO 0.03 0.16 0.22 0.03 0.00 0.00 0.00 178.15 178.59 1n60 h ARG 129 N -0.37 0.58 -0.71 2.37 3.08 -0.79 -0.43 114.38 118.10 1n60 h ARG 129 Ca -0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1n60 h ARG 129 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1n60 h ARG 129 CO 0.01 0.47 0.21 0.35 -1.07 0.00 0.00 179.97 179.94 1n60 h PHE 130 N 0.53 1.13 0.00 3.04 3.57 -1.32 -2.86 116.94 121.03 1n60 h PHE 130 Ca 0.14 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1n60 h PHE 130 Cb 0.06 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1n60 h PHE 130 CO -0.02 0.90 0.00 0.78 -2.23 0.00 0.00 178.31 177.74 1n60 h GLY 131 N 1.09 0.00 -1.54 2.40 0.00 0.16 -1.35 103.07 103.84 1n60 h GLY 131 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1n60 h GLY 131 CO -0.01 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.82 1n60 n ILE 132 N -2.81 2.23 0.28 2.60 -5.35 -0.26 -4.76 119.36 111.29 1n60 n ILE 132 Ca 0.00 -1.86 0.15 0.00 -0.27 0.00 0.00 62.75 60.77 1n60 n ILE 132 Cb 0.22 -0.23 0.72 0.00 -1.74 0.00 0.00 39.64 38.62 1n60 n ILE 132 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n60 h GLY 133 N 1.75 0.00 0.21 3.28 0.00 -1.02 -1.49 103.07 105.80 1n60 h GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n60 h GLY 133 CO 0.21 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.36 1n60 n GLY 134 N -0.75 -0.51 3.13 4.60 0.00 -1.26 -4.78 105.19 105.62 1n60 n GLY 134 Ca -0.01 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1n60 n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n60 s ASN 135 N -1.85 3.77 0.11 1.61 -0.87 -0.56 -2.78 114.94 114.37 1n60 s ASN 135 Ca 0.39 -0.90 -0.16 0.00 -1.57 0.00 0.00 52.86 50.61 1n60 s ASN 135 Cb 0.19 -1.54 -0.07 0.00 -0.02 0.00 0.00 41.25 39.81 1n60 s ASN 135 CO 0.31 -0.08 0.55 -0.76 -2.57 0.00 0.00 177.10 174.55 1n60 s LEU 136 N 1.25 4.41 -0.03 0.60 1.43 0.43 -4.98 118.68 121.79 1n60 s LEU 136 Ca 0.00 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1n60 s LEU 136 Cb -0.16 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1n60 s LEU 136 CO -0.09 0.18 -0.10 0.00 0.23 0.00 0.00 176.35 176.56 1n60 n ARG 138 N 3.29 0.62 -0.05 0.00 5.12 -1.26 -4.66 116.66 119.71 1n60 n ARG 138 Ca -0.18 0.22 -0.21 0.00 -1.93 0.00 0.00 57.85 55.75 1n60 n ARG 138 Cb 0.54 -1.81 -0.13 0.00 -1.16 0.00 0.00 32.46 29.90 1n60 n ARG 138 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n60 n THR 140 N -3.48 0.29 -1.44 0.00 -2.24 -1.26 -4.95 114.28 101.20 1n60 n THR 140 Ca -0.38 -0.53 -0.15 0.00 -2.27 0.00 0.00 64.05 60.73 1n60 n THR 140 Cb 1.00 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 1n60 n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n60 n GLY 141 N 1.23 1.52 4.70 3.38 0.00 -1.26 -3.99 105.19 110.77 1n60 n GLY 141 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1n60 n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n60 n TYR 142 N -2.50 0.00 -0.16 1.61 4.01 -1.26 -4.78 117.16 114.08 1n60 n TYR 142 Ca -0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.52 1n60 n TYR 142 Cb 0.53 -0.30 0.02 0.00 -0.31 0.00 0.00 39.34 39.28 1n60 n TYR 142 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1n60 h GLN 143 N 0.26 0.63 0.00 -0.72 4.15 -1.99 -0.48 115.11 116.95 1n60 h GLN 143 Ca 0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1n60 h GLN 143 Cb 0.00 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1n60 h GLN 143 CO 0.00 0.42 -0.15 -0.91 -1.93 0.00 0.00 178.83 176.26 1n60 h ASN 144 N 0.65 0.00 -0.36 -0.69 2.35 -1.85 -2.63 115.58 113.05 1n60 h ASN 144 Ca 0.18 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1n60 h ASN 144 Cb -0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1n60 h ASN 144 CO -0.05 0.15 0.11 0.40 -1.65 0.00 0.00 177.43 176.39 1n60 h ILE 145 N 0.00 1.21 -0.39 2.81 2.04 -1.41 0.75 117.51 122.53 1n60 h ILE 145 Ca -0.00 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1n60 h ILE 145 Cb 0.91 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1n60 h ILE 145 CO 0.02 0.24 0.02 0.58 0.00 0.00 0.00 178.15 179.01 1n60 h VAL 146 N 0.43 0.72 -1.00 1.67 2.07 -0.97 -1.05 116.25 118.12 1n60 h VAL 146 Ca 0.12 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1n60 h VAL 146 Cb 0.26 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1n60 h VAL 146 CO -0.00 0.02 0.66 0.11 0.02 0.00 0.00 177.57 178.38 1n60 h LYS 147 N 0.12 1.26 -0.64 1.57 1.57 -1.22 -0.61 116.57 118.64 1n60 h LYS 147 Ca 0.19 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1n60 h LYS 147 Cb 0.26 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1n60 h LYS 147 CO -0.30 0.84 0.39 0.00 -0.57 0.00 0.00 179.45 179.80 1n60 h ALA 148 N 1.40 0.81 -0.34 3.86 0.00 -0.14 0.42 119.26 125.28 1n60 h ALA 148 Ca 0.39 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1n60 h ALA 148 Cb -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1n60 h ALA 148 CO -0.11 0.28 -0.20 0.82 0.00 0.00 0.00 179.25 180.04 1n60 h ILE 149 N 0.86 1.29 -0.86 0.00 2.04 -0.77 -0.80 117.51 119.27 1n60 h ILE 149 Ca 0.23 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1n60 h ILE 149 Cb -0.04 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1n60 h ILE 149 CO -0.04 0.43 0.54 1.56 0.00 0.00 0.00 178.15 180.64 1n60 h GLN 150 N 0.50 1.15 -0.56 2.37 4.20 -0.89 0.44 115.11 122.32 1n60 h GLN 150 Ca 0.07 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1n60 h GLN 150 Cb 0.75 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1n60 h GLN 150 CO 0.06 0.79 0.17 -0.92 -0.67 0.00 0.00 178.83 178.26 1n60 h TYR 151 N 1.17 0.91 -0.55 2.96 5.03 -0.69 -1.53 116.97 124.28 1n60 h TYR 151 Ca 0.31 -0.10 -0.06 0.00 2.58 0.00 0.00 58.73 61.47 1n60 h TYR 151 Cb -0.09 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 37.91 1n60 h TYR 151 CO -0.01 0.77 0.12 0.00 -1.32 0.00 0.00 178.16 177.73 1n60 h ALA 152 N 1.04 0.72 -0.73 1.82 0.00 -0.77 -1.14 119.26 120.21 1n60 h ALA 152 Ca 0.18 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n60 h ALA 152 Cb 0.29 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1n60 h ALA 152 CO -0.00 0.43 0.43 0.00 0.00 0.00 0.00 179.25 180.11 1n60 h ALA 153 N 1.01 0.98 -0.76 0.00 0.00 -0.62 0.66 119.26 120.52 1n60 h ALA 153 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1n60 h ALA 153 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1n60 h ALA 153 CO 0.00 0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.66 1n60 h ALA 154 N 1.35 1.00 -0.28 0.00 0.00 -0.87 0.12 119.26 120.58 1n60 h ALA 154 Ca 0.32 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1n60 h ALA 154 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n60 h ALA 154 CO -0.16 0.67 -0.00 0.87 0.00 0.00 0.00 179.25 180.62 1n60 h LYS 155 N 1.13 0.50 -0.55 0.00 1.79 -0.57 -2.41 116.57 116.47 1n60 h LYS 155 Ca 0.25 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1n60 h LYS 155 Cb 0.29 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1n60 h LYS 155 CO -0.01 0.66 0.34 0.82 -1.08 0.00 0.00 179.45 180.18 1n60 h ILE 156 N 0.29 1.16 0.00 1.86 2.04 -0.67 -2.31 117.51 119.89 1n60 h ILE 156 Ca 0.08 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1n60 h ILE 156 Cb 0.44 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1n60 h ILE 156 CO 0.02 0.16 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1n60 n ASN 157 N -4.67 0.46 0.01 1.72 3.02 0.40 -1.87 115.26 114.33 1n60 n ASN 157 Ca 0.03 0.60 0.11 0.00 -0.03 0.00 0.00 54.58 55.29 1n60 n ASN 157 Cb 0.05 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 38.54 1n60 n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n60 n GLY 158 N 0.19 -1.14 0.38 7.41 0.00 -0.89 -4.61 105.19 106.54 1n60 n GLY 158 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1n60 n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n60 h VAL 159 N 0.00 0.22 0.00 1.61 2.07 -1.12 -3.51 116.25 115.52 1n60 h VAL 159 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1n60 h VAL 159 Cb 0.61 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1n60 h VAL 159 CO 0.00 0.02 0.00 -2.65 0.02 0.00 0.00 177.57 174.96