#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 -0.11 7.82 0.00 0.84 -4.84 121.76 129.23 1n60 s ALA 4 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.40 1n60 s ALA 4 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1n60 s ALA 4 CO 0.00 0.54 0.56 -1.58 0.00 0.00 0.00 175.76 175.28 1n60 s HIS 5 N -1.13 3.52 0.06 0.00 2.46 -1.26 -1.00 115.29 117.95 1n60 s HIS 5 Ca 0.23 1.01 0.05 0.00 0.47 0.00 0.00 55.06 56.82 1n60 s HIS 5 Cb -0.15 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.63 1n60 s HIS 5 CO 0.12 0.12 -0.13 0.96 -2.47 0.00 0.00 174.74 173.34 1n60 s ILE 6 N 0.76 1.05 -0.03 0.89 -4.36 0.66 -5.00 121.20 115.17 1n60 s ILE 6 Ca 0.30 -1.20 0.02 0.00 -0.26 0.00 0.00 60.65 59.50 1n60 s ILE 6 Cb -0.16 -1.00 0.01 0.00 1.25 0.00 0.00 42.46 42.56 1n60 s ILE 6 CO 0.13 -0.19 -0.05 -1.61 0.24 0.00 0.00 174.94 173.46 1n60 s GLU 7 N -1.57 0.72 0.00 0.37 2.02 -1.26 -0.98 118.70 118.00 1n60 s GLU 7 Ca -0.02 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1n60 s GLU 7 Cb -0.09 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.42 1n60 s GLU 7 CO 0.02 0.01 0.00 1.47 0.02 0.00 0.00 175.26 176.78 1n60 n LEU 8 N 3.60 0.00 -3.90 1.80 -0.00 0.02 -0.01 117.00 118.51 1n60 n LEU 8 Ca -0.21 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.59 1n60 n LEU 8 Cb 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.79 1n60 n LEU 8 CO 0.24 0.00 -0.42 -0.89 -0.00 0.00 0.00 177.39 176.32 1n60 s THR 9 N -2.72 0.65 -0.10 1.47 2.01 -0.27 -0.68 115.64 116.00 1n60 s THR 9 Ca 0.00 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1n60 s THR 9 Cb 0.00 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1n60 s THR 9 CO 0.00 0.26 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.46 1n60 s ILE 10 N 1.05 1.14 -1.48 1.82 1.01 -0.26 -0.66 121.20 123.81 1n60 s ILE 10 Ca -0.09 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 1n60 s ILE 10 Cb -0.14 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.30 1n60 s ILE 10 CO -0.01 0.38 0.83 0.59 0.00 0.00 0.00 174.94 176.73 1n60 n ASN 11 N 4.47 -4.75 0.00 3.58 3.02 0.53 -1.59 115.26 120.52 1n60 n ASN 11 Ca -0.17 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 1n60 n ASN 11 Cb 0.51 -3.82 0.00 0.00 -0.61 0.00 0.00 39.78 35.85 1n60 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n60 n GLY 12 N -1.55 1.08 3.57 7.41 0.00 -1.26 -4.98 105.19 109.46 1n60 n GLY 12 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.80 2.96 0.44 1.61 3.76 -0.62 -5.08 115.29 114.57 1n60 s HIS 13 Ca 0.00 -0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.63 1n60 s HIS 13 Cb 0.00 -1.75 -0.08 0.00 1.11 0.00 0.00 32.58 31.86 1n60 s HIS 13 CO 0.00 0.28 1.41 -2.14 -0.85 0.00 0.00 174.74 173.44 1n60 s PRO 14 N -0.63 3.75 -0.03 8.40 0.02 -1.26 -1.11 135.00 144.14 1n60 s PRO 14 Ca 0.10 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.52 1n60 s PRO 14 Cb -0.12 -2.68 0.01 0.00 0.02 0.00 0.00 34.50 31.73 1n60 s PRO 14 CO 0.02 -0.76 -0.07 0.08 -0.33 0.00 0.00 177.00 175.94 1n60 s VAL 15 N -1.21 0.66 -0.03 3.83 1.01 0.14 -4.86 120.40 119.94 1n60 s VAL 15 Ca 0.60 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1n60 s VAL 15 Cb -0.43 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1n60 s VAL 15 CO 0.55 0.22 -0.11 -0.70 0.00 0.00 0.00 175.10 175.06 1n60 s GLU 16 N 0.35 1.23 0.22 2.72 2.12 -1.26 -0.80 118.70 123.28 1n60 s GLU 16 Ca -0.05 -0.39 -0.17 0.00 0.36 0.00 0.00 54.97 54.71 1n60 s GLU 16 Cb -0.09 -1.11 0.02 0.00 0.26 0.00 0.00 34.13 33.21 1n60 s GLU 16 CO 0.00 0.15 0.55 0.00 -0.54 0.00 0.00 175.26 175.42 1n60 s ALA 17 N 0.18 -0.85 -0.14 6.30 0.00 -0.15 -5.00 121.76 122.10 1n60 s ALA 17 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1n60 s ALA 17 Cb -0.10 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1n60 s ALA 17 CO 0.01 -0.86 -0.15 -0.51 0.00 0.00 0.00 175.76 174.25 1n60 s LEU 18 N -2.91 2.58 0.05 0.00 1.43 -1.26 -0.24 118.68 118.33 1n60 s LEU 18 Ca 0.12 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1n60 s LEU 18 Cb -0.02 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1n60 s LEU 18 CO 0.01 0.13 -0.06 0.68 0.23 0.00 0.00 176.35 177.34 1n60 s VAL 19 N 0.53 0.46 0.38 -1.59 -7.23 -0.17 -4.91 120.40 107.87 1n60 s VAL 19 Ca -0.10 -1.20 -0.25 0.00 -1.81 0.00 0.00 61.98 58.63 1n60 s VAL 19 Cb -0.16 -0.73 -0.09 0.00 0.56 0.00 0.00 36.38 35.96 1n60 s VAL 19 CO 0.04 -0.50 1.05 -1.61 -0.31 0.00 0.00 175.10 173.77 1n60 s GLU 20 N -1.97 4.23 0.35 4.82 0.41 -1.26 -0.11 118.70 125.16 1n60 s GLU 20 Ca -0.07 1.54 0.06 0.00 -0.41 0.00 0.00 54.97 56.09 1n60 s GLU 20 Cb -0.07 -2.63 0.74 0.00 -1.78 0.00 0.00 34.13 30.39 1n60 s GLU 20 CO -0.01 -0.09 1.91 -1.35 -0.49 0.00 0.00 175.26 175.23 1n60 h PRO 21 N 2.67 0.76 0.00 0.39 0.11 -1.96 -1.89 132.00 132.07 1n60 h PRO 21 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1n60 h PRO 21 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1n60 h PRO 21 CO 0.63 0.50 0.00 2.89 -0.21 0.00 0.00 178.00 181.81 1n60 n ARG 22 N -4.51 0.65 -2.01 1.05 1.85 -1.26 -4.59 116.66 107.83 1n60 n ARG 22 Ca 0.14 0.01 -0.42 0.00 -1.00 0.00 0.00 57.85 56.57 1n60 n ARG 22 Cb 0.32 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 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 -2.32 3.36 0.49 8.89 2.01 -0.71 -4.95 115.64 122.41 1n60 s THR 23 Ca 0.36 0.68 -0.22 0.00 0.31 0.00 0.00 61.69 62.82 1n60 s THR 23 Cb 0.20 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1n60 s THR 23 CO 0.40 -0.02 1.22 -0.76 -0.69 0.00 0.00 174.62 174.77 1n60 s LEU 24 N 3.04 3.95 0.30 4.42 1.43 -1.26 -0.96 118.68 129.60 1n60 s LEU 24 Ca 0.72 2.43 0.01 0.00 -1.03 0.00 0.00 54.13 56.25 1n60 s LEU 24 Cb -0.36 -4.28 0.53 0.00 0.03 0.00 0.00 46.19 42.12 1n60 s LEU 24 CO 0.30 -1.13 1.90 0.25 0.23 0.00 0.00 176.35 177.91 1n60 h LEU 25 N 1.82 0.91 -0.87 1.79 5.85 -0.45 -0.39 115.31 123.97 1n60 h LEU 25 Ca -0.50 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.28 1n60 h LEU 25 Cb 1.26 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1n60 h LEU 25 CO 0.59 0.57 0.55 -0.29 -0.34 0.00 0.00 178.44 179.52 1n60 h ILE 26 N 1.03 1.10 -0.05 4.05 6.09 -1.33 0.54 117.51 128.94 1n60 h ILE 26 Ca 0.40 -0.36 -0.22 0.00 -1.37 0.00 0.00 64.86 63.31 1n60 h ILE 26 Cb 0.24 -0.03 0.01 0.00 0.47 0.00 0.00 36.82 37.50 1n60 h ILE 26 CO -0.16 0.19 -0.88 0.45 -3.07 0.00 0.00 178.15 174.68 1n60 h HIS 27 N 1.04 0.79 -0.68 2.19 3.86 -1.43 -0.81 115.15 120.12 1n60 h HIS 27 Ca 0.36 -0.39 0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1n60 h HIS 27 Cb 0.07 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1n60 h HIS 27 CO -0.02 1.21 0.44 0.35 0.86 0.00 0.00 177.93 180.76 1n60 h PHE 28 N 0.34 0.82 -0.09 2.45 3.57 -0.58 0.62 116.94 124.08 1n60 h PHE 28 Ca -0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1n60 h PHE 28 Cb 1.50 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1n60 h PHE 28 CO 0.07 0.50 0.00 0.82 -2.23 0.00 0.00 178.31 177.47 1n60 h ILE 29 N 0.88 1.24 0.02 1.41 2.04 -0.80 -0.63 117.51 121.67 1n60 h ILE 29 Ca 0.26 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 1n60 h ILE 29 Cb -0.05 1.58 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1n60 h ILE 29 CO -0.08 0.21 -0.43 0.03 0.00 0.00 0.00 178.15 177.88 1n60 h ARG 30 N -0.12 0.25 0.03 2.37 3.08 -1.00 -0.37 114.38 118.62 1n60 h ARG 30 Ca 0.03 -0.30 -0.30 0.00 0.07 0.00 0.00 59.98 59.47 1n60 h ARG 30 Cb 0.33 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1n60 h ARG 30 CO 0.00 1.04 -1.72 0.93 -1.07 0.00 0.00 179.97 179.15 1n60 h GLU 31 N -0.39 0.07 0.00 0.04 4.39 0.17 -3.14 114.58 115.72 1n60 h GLU 31 Ca -0.06 -0.11 -0.41 0.00 0.34 0.00 0.00 59.36 59.11 1n60 h GLU 31 Cb 1.21 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 1n60 h GLU 31 CO 0.08 0.69 -2.50 1.04 -1.16 0.00 0.00 179.01 177.17 1n60 n GLN 32 N -3.17 0.63 0.00 2.33 6.02 -0.83 -4.56 117.38 117.81 1n60 n GLN 32 Ca -0.19 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1n60 n GLN 32 Cb 1.05 -1.51 0.27 0.00 1.02 0.00 0.00 30.24 31.07 1n60 n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1n60 n GLN 33 N -3.57 0.16 -2.53 -1.09 1.13 -0.30 -4.95 117.38 106.23 1n60 n GLN 33 Ca -0.49 -0.09 -0.20 0.00 -1.94 0.00 0.00 57.00 54.28 1n60 n GLN 33 Cb 0.96 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.81 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 -1.34 -5.65 -4.37 1.08 5.03 -1.00 -4.91 115.26 104.11 1n60 n ASN 34 Ca 0.07 -0.04 -0.45 0.00 0.87 0.00 0.00 54.58 55.03 1n60 n ASN 34 Cb 0.34 -4.68 -0.00 0.00 -1.02 0.00 0.00 39.78 34.41 1n60 n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n60 s LEU 35 N -6.11 6.08 -0.02 3.41 1.43 -0.18 -4.86 118.68 118.42 1n60 s LEU 35 Ca 0.06 -3.29 0.08 0.00 -1.03 0.00 0.00 54.13 49.95 1n60 s LEU 35 Cb -0.03 -2.26 0.28 0.00 0.03 0.00 0.00 46.19 44.22 1n60 s LEU 35 CO 0.07 -0.45 1.17 0.35 0.23 0.00 0.00 176.35 177.72 1n60 n THR 36 N 3.38 0.58 -0.06 5.49 -2.24 -1.26 -3.95 114.28 116.21 1n60 n THR 36 Ca 0.25 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1n60 n THR 36 Cb 0.41 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 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 5.16 0.35 -3.67 3.38 0.00 -1.96 -3.43 103.07 102.91 1n60 h GLY 37 Ca 0.00 -0.26 -0.55 0.00 0.00 0.00 0.00 47.33 46.52 1n60 h GLY 37 CO 0.05 0.24 0.71 0.00 0.00 0.00 0.00 176.54 177.53 1n60 n ALA 38 N -2.32 2.08 -2.33 3.60 0.00 -1.26 -4.68 120.51 115.61 1n60 n ALA 38 Ca -0.05 0.28 -0.17 0.00 0.00 0.00 0.00 53.44 53.51 1n60 n ALA 38 Cb 0.22 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 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 -1.16 1.57 -0.22 0.00 3.76 -0.85 -4.94 115.29 113.45 1n60 s HIS 39 Ca 0.58 -0.80 -0.05 0.00 -0.15 0.00 0.00 55.06 54.65 1n60 s HIS 39 Cb -0.47 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.34 1n60 s HIS 39 CO 0.60 0.10 -0.01 0.42 -0.85 0.00 0.00 174.74 174.99 1n60 s ILE 40 N -3.27 3.71 -0.32 0.60 1.01 -1.26 -1.54 121.20 120.14 1n60 s ILE 40 Ca 0.25 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.56 1n60 s ILE 40 Cb 0.04 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1n60 s ILE 40 CO 0.07 0.41 0.31 0.61 0.00 0.00 0.00 174.94 176.34 1n60 n GLY 41 N 4.60 0.17 3.83 6.18 0.00 -1.26 -5.04 105.19 113.66 1n60 n GLY 41 Ca -0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.82 1.86 0.00 0.00 5.68 -1.26 -4.71 116.55 117.30 1n60 n ASP 43 Ca -0.06 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1n60 n ASP 43 Cb 0.60 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 -0.49 0.50 -1.21 2.12 -2.24 -1.26 -5.01 114.28 106.69 1n60 n THR 44 Ca 0.00 -0.52 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 1n60 n THR 44 Cb 0.28 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.25 -3.39 -0.00 3.42 7.64 -1.26 -4.95 113.62 114.83 1n60 n SER 45 Ca 0.00 0.10 -0.17 0.00 1.01 0.00 0.00 58.87 59.80 1n60 n SER 45 Cb 0.34 -1.40 -0.14 0.00 -1.01 0.00 0.00 64.21 62.01 1n60 n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n60 n HIS 46 N -2.97 1.17 0.13 1.43 8.25 -1.26 -4.66 115.22 117.32 1n60 n HIS 46 Ca -0.04 0.29 0.02 0.00 -0.26 0.00 0.00 57.72 57.73 1n60 n HIS 46 Cb 0.17 -1.17 0.05 0.00 1.12 0.00 0.00 29.99 30.16 1n60 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n60 n GLY 48 N 1.11 0.38 0.29 0.00 0.00 -1.07 -0.60 105.19 105.30 1n60 n GLY 48 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.56 4.61 0.00 -1.87 -1.71 119.26 120.73 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 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 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 -1.30 2.57 0.29 0.00 2.01 -0.64 -2.42 115.64 116.14 1n60 s THR 51 Ca 0.38 0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.84 1n60 s THR 51 Cb 0.20 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 1n60 s THR 51 CO 0.25 0.03 -0.03 0.68 -0.69 0.00 0.00 174.62 174.86 1n60 s VAL 52 N 1.19 1.50 -0.25 3.82 -7.23 -0.31 -4.49 120.40 114.62 1n60 s VAL 52 Ca 0.71 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1n60 s VAL 52 Cb -0.44 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 1n60 s VAL 52 CO 0.31 -0.24 0.22 -0.62 -0.31 0.00 0.00 175.10 174.46 1n60 s ASP 53 N -3.44 6.13 -0.10 4.85 2.15 -0.54 -1.03 116.67 124.68 1n60 s ASP 53 Ca 0.31 0.13 -0.03 0.00 0.43 0.00 0.00 52.55 53.39 1n60 s ASP 53 Cb 0.05 -2.13 0.04 0.00 -0.30 0.00 0.00 42.92 40.58 1n60 s ASP 53 CO 0.12 -0.02 0.05 -0.22 -0.17 0.00 0.00 175.17 174.93 1n60 s LEU 54 N 1.44 0.47 -1.55 -1.34 0.20 0.52 -0.21 118.68 118.21 1n60 s LEU 54 Ca 0.09 -0.27 -0.04 0.00 0.69 0.00 0.00 54.13 54.60 1n60 s LEU 54 Cb -0.15 -0.32 0.04 0.00 -0.43 0.00 0.00 46.19 45.34 1n60 s LEU 54 CO 0.08 -0.27 0.27 0.47 -0.29 0.00 0.00 176.35 176.61 1n60 n ASP 55 N 5.21 -0.15 -0.15 3.68 8.00 -0.16 -0.92 116.55 132.07 1n60 n ASP 55 Ca -0.06 -1.16 -0.02 0.00 0.71 0.00 0.00 54.79 54.26 1n60 n ASP 55 Cb 0.49 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.12 39.41 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 -2.12 0.54 3.27 0.44 0.00 -1.26 -5.02 105.19 101.04 1n60 n GLY 56 Ca -0.24 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.35 1.14 -0.24 1.61 -1.94 -0.10 -5.08 119.30 113.34 1n60 s MET 57 Ca 0.00 -1.12 -0.23 0.00 -1.71 0.00 0.00 55.69 52.63 1n60 s MET 57 Cb 0.00 -1.37 -0.01 0.00 2.01 0.00 0.00 34.83 35.46 1n60 s MET 57 CO 0.00 0.32 0.76 -1.12 -0.01 0.00 0.00 175.02 174.98 1n60 s SER 58 N -1.80 6.75 -0.05 3.03 0.01 -1.26 -0.35 113.70 120.03 1n60 s SER 58 Ca 0.06 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.30 1n60 s SER 58 Cb -0.10 -2.40 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 1n60 s SER 58 CO 0.04 -0.46 -0.18 -0.69 0.41 0.00 0.00 173.24 172.35 1n60 s VAL 59 N 2.69 1.53 -0.66 3.43 1.01 -0.20 -4.98 120.40 123.23 1n60 s VAL 59 Ca 0.32 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1n60 s VAL 59 Cb -0.15 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1n60 s VAL 59 CO 0.08 0.44 1.24 -0.54 0.00 0.00 0.00 175.10 176.31 1n60 s LYS 60 N 0.02 3.34 0.00 2.72 1.02 -1.26 -1.17 119.74 124.41 1n60 s LYS 60 Ca -0.04 -0.02 0.14 0.00 0.02 0.00 0.00 55.97 56.08 1n60 s LYS 60 Cb -0.12 -4.10 0.65 0.00 -0.52 0.00 0.00 37.83 33.74 1n60 s LYS 60 CO 0.03 -1.93 1.43 -1.13 -0.92 0.00 0.00 175.35 172.83 1n60 n SER 61 N 8.92 0.00 -0.04 2.83 3.41 -1.02 -0.76 113.62 126.96 1n60 n SER 61 Ca 0.06 0.34 0.15 0.00 -0.26 0.00 0.00 58.87 59.15 1n60 n SER 61 Cb 0.49 -0.42 0.81 0.00 -0.26 0.00 0.00 64.21 64.83 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 -1.03 2.01 -3.72 0.00 -1.04 0.06 -4.92 114.28 105.65 1n60 n THR 63 Ca 0.19 -3.42 -0.13 0.00 -2.04 0.00 0.00 64.05 58.65 1n60 n THR 63 Cb 0.19 -0.31 -0.09 0.00 -1.82 0.00 0.00 70.33 68.30 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 -3.16 0.55 0.26 -2.82 0.00 -1.24 -4.98 119.30 107.91 1n60 s MET 64 Ca 0.42 0.60 -0.16 0.00 0.00 0.00 0.00 55.69 56.55 1n60 s MET 64 Cb 0.38 0.27 -0.08 0.00 0.00 0.00 0.00 34.83 35.40 1n60 s MET 64 CO -0.03 -0.07 0.70 -0.06 0.00 0.00 0.00 175.02 175.56 1n60 s PHE 65 N 0.16 3.49 0.38 4.11 0.08 -1.26 -0.22 117.98 124.72 1n60 s PHE 65 Ca -0.01 1.24 0.11 0.00 0.12 0.00 0.00 56.93 58.39 1n60 s PHE 65 Cb -0.03 -2.53 0.89 0.00 -0.57 0.00 0.00 43.02 40.78 1n60 s PHE 65 CO 0.01 0.22 1.88 0.00 -0.10 0.00 0.00 175.22 177.24 1n60 h ALA 66 N 2.80 1.92 0.00 5.36 0.00 -1.26 0.16 119.26 128.24 1n60 h ALA 66 Ca -0.48 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1n60 h ALA 66 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1n60 h ALA 66 CO 0.66 -0.15 -0.00 -0.39 0.00 0.00 0.00 179.25 179.37 1n60 h VAL 67 N 0.61 0.92 0.00 0.00 -1.51 -1.81 -0.10 116.25 114.35 1n60 h VAL 67 Ca 0.43 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 1n60 h VAL 67 Cb 0.76 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1n60 h VAL 67 CO -0.18 0.00 0.00 1.56 -1.23 0.00 0.00 177.57 177.72 1n60 h GLN 68 N 0.00 0.00 -0.57 5.19 4.20 -1.33 -2.77 115.11 119.84 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 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n60 h GLN 68 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1n60 n ALA 69 N -1.96 2.44 -1.69 3.87 0.00 -0.05 -4.92 120.51 118.19 1n60 n ALA 69 Ca 0.00 -1.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.01 1n60 n ALA 69 Cb 0.23 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 1.13 3.26 0.00 0.00 5.15 -1.05 -1.36 115.26 122.40 1n60 n ASN 70 Ca 0.19 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 1n60 n ASN 70 Cb 0.49 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 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 2.86 1.96 3.90 8.20 0.00 0.99 -4.98 105.19 118.11 1n60 n GLY 71 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.47 3.09 -0.21 4.61 0.00 -0.46 -4.82 121.76 120.50 1n60 s ALA 72 Ca 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1n60 s ALA 72 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 23.12 20.30 1n60 s ALA 72 CO 0.00 -0.98 -0.08 0.45 0.00 0.00 0.00 175.76 175.15 1n60 s SER 73 N -4.33 4.04 -0.00 0.00 0.15 -1.26 -1.11 113.70 111.18 1n60 s SER 73 Ca 0.56 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.84 1n60 s SER 73 Cb -0.11 -1.68 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1n60 s SER 73 CO 0.48 -0.01 -0.22 -0.63 1.20 0.00 0.00 173.24 174.07 1n60 s ILE 74 N 1.38 2.44 -0.12 6.45 1.01 0.16 -0.98 121.20 131.53 1n60 s ILE 74 Ca 0.05 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1n60 s ILE 74 Cb -0.14 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1n60 s ILE 74 CO -0.05 0.50 -0.21 -0.89 0.00 0.00 0.00 174.94 174.28 1n60 s THR 75 N -0.74 2.19 0.51 2.92 2.01 0.71 -0.35 115.64 122.90 1n60 s THR 75 Ca 0.12 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.22 1n60 s THR 75 Cb -0.10 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.56 1n60 s THR 75 CO 0.01 0.55 0.35 0.42 -0.69 0.00 0.00 174.62 175.26 1n60 s THR 76 N 0.59 1.84 0.49 -0.82 -4.23 -1.26 -1.47 115.64 110.78 1n60 s THR 76 Ca -0.12 -1.52 0.14 0.00 -1.18 0.00 0.00 61.69 59.01 1n60 s THR 76 Cb -0.17 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.56 1n60 s THR 76 CO 0.03 0.00 2.10 -0.29 -0.54 0.00 0.00 174.62 175.92 1n60 h ILE 77 N 0.90 1.05 0.00 2.99 6.09 -1.90 0.91 117.51 127.54 1n60 h ILE 77 Ca -0.38 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1n60 h ILE 77 Cb 1.29 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.58 1n60 h ILE 77 CO 0.60 0.06 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.39 1n60 h GLU 78 N 0.09 0.00 -0.18 2.19 3.07 -1.98 -1.88 114.58 115.89 1n60 h GLU 78 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1n60 h GLU 78 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1n60 h GLU 78 CO 0.00 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1n60 n GLY 79 N -0.71 0.44 0.11 -3.84 0.00 0.31 -4.44 105.19 97.07 1n60 n GLY 79 Ca -0.02 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 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 2.49 0.24 -7.15 1.61 2.86 -1.41 -3.47 114.93 110.11 1n60 h MET 80 Ca 0.00 -0.41 -0.49 0.00 -2.06 0.00 0.00 59.70 56.74 1n60 h MET 80 Cb 0.55 0.15 0.07 0.00 0.06 0.00 0.00 31.60 32.43 1n60 h MET 80 CO 0.00 1.09 0.39 0.00 1.06 0.00 0.00 176.91 179.45 1n60 s ALA 81 N -2.61 2.69 0.71 6.32 0.00 -1.26 -4.27 121.76 123.34 1n60 s ALA 81 Ca -0.10 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 1n60 s ALA 81 Cb 0.07 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1n60 s ALA 81 CO 0.84 -0.83 1.07 0.00 0.00 0.00 0.00 175.76 176.85 1n60 s ALA 82 N -2.21 2.52 0.43 0.00 0.00 0.19 -4.93 121.76 117.75 1n60 s ALA 82 Ca 0.67 0.22 0.11 0.00 0.00 0.00 0.00 51.96 52.96 1n60 s ALA 82 Cb -0.19 -3.23 0.95 0.00 0.00 0.00 0.00 23.12 20.66 1n60 s ALA 82 CO 0.33 -1.37 2.03 -1.00 0.00 0.00 0.00 175.76 175.74 1n60 h PRO 83 N -0.67 0.45 0.00 0.00 0.13 -1.94 -0.73 132.00 129.25 1n60 h PRO 83 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n60 h PRO 83 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1n60 h PRO 83 CO 0.55 0.30 0.00 -0.40 -0.23 0.00 0.00 178.00 178.22 1n60 n ASP 84 N -4.48 0.00 0.00 1.44 5.68 -1.26 -4.82 116.55 113.11 1n60 n ASP 84 Ca 0.06 -0.71 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 1n60 n ASP 84 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 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 0.30 3.08 3.76 6.12 0.00 -0.28 -5.04 105.19 113.14 1n60 n GLY 85 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1n60 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n60 s THR 86 N -2.77 2.96 0.52 2.61 -4.23 -1.25 -4.66 115.64 108.82 1n60 s THR 86 Ca 0.00 0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 61.26 1n60 s THR 86 Cb 0.00 -3.60 -0.07 0.00 1.34 0.00 0.00 72.50 70.17 1n60 s THR 86 CO 0.00 0.21 1.04 -0.76 -0.54 0.00 0.00 174.62 174.57 1n60 s LEU 87 N -1.43 3.73 1.02 4.79 1.43 -1.26 0.52 118.68 127.48 1n60 s LEU 87 Ca 0.49 1.87 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 1n60 s LEU 87 Cb -0.38 -4.55 0.20 0.00 0.03 0.00 0.00 46.19 41.50 1n60 s LEU 87 CO 0.48 -0.87 1.08 -0.94 0.23 0.00 0.00 176.35 176.32 1n60 s SER 88 N -2.28 2.31 0.21 2.29 1.04 -1.26 -4.73 113.70 111.28 1n60 s SER 88 Ca 0.66 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.37 1n60 s SER 88 Cb -0.16 -2.08 0.18 0.00 0.10 0.00 0.00 66.02 64.07 1n60 s SER 88 CO 0.25 -3.35 1.85 0.00 0.98 0.00 0.00 173.24 172.97 1n60 h ALA 89 N -2.04 0.90 -0.31 5.32 0.00 -1.93 0.91 119.26 122.12 1n60 h ALA 89 Ca -0.55 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1n60 h ALA 89 Cb 1.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1n60 h ALA 89 CO 0.54 0.21 0.01 -0.07 0.00 0.00 0.00 179.25 179.95 1n60 h LEU 90 N 0.86 0.53 -0.62 0.00 3.38 -1.90 0.89 115.31 118.44 1n60 h LEU 90 Ca 0.28 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1n60 h LEU 90 Cb 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1n60 h LEU 90 CO -0.10 0.69 0.39 1.56 0.09 0.00 0.00 178.44 181.07 1n60 h GLN 91 N 0.34 0.75 -0.61 1.13 4.20 -1.72 -0.60 115.11 118.61 1n60 h GLN 91 Ca 0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1n60 h GLN 91 Cb 0.42 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1n60 h GLN 91 CO 0.01 0.50 0.13 1.49 -0.67 0.00 0.00 178.83 180.29 1n60 h GLU 92 N 0.78 1.00 -0.67 1.46 4.81 -0.70 -2.75 114.58 118.50 1n60 h GLU 92 Ca 0.24 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1n60 h GLU 92 Cb -0.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1n60 h GLU 92 CO -0.09 0.92 0.13 0.78 -0.73 0.00 0.00 179.01 180.02 1n60 h GLY 93 N 0.91 1.18 0.91 1.92 0.00 -0.31 0.89 103.07 108.57 1n60 h GLY 93 Ca 0.19 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 46.78 1n60 h GLY 93 CO 0.01 0.71 0.58 0.74 0.00 0.00 0.00 176.54 178.58 1n60 h PHE 94 N 1.03 1.09 -0.04 5.60 -1.00 -1.03 -0.46 116.94 122.14 1n60 h PHE 94 Ca 0.21 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.98 1n60 h PHE 94 Cb 0.42 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1n60 h PHE 94 CO 0.03 0.64 -0.11 -0.09 -1.61 0.00 0.00 178.31 177.18 1n60 h ARG 95 N 1.14 0.14 -0.50 1.51 2.43 -1.15 0.11 114.38 118.07 1n60 h ARG 95 Ca 0.35 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1n60 h ARG 95 Cb -0.03 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1n60 h ARG 95 CO -0.11 0.71 0.22 0.52 -1.51 0.00 0.00 179.97 179.81 1n60 h MET 96 N -0.41 0.70 -0.42 0.20 2.86 -0.58 -2.64 114.93 114.64 1n60 h MET 96 Ca -0.00 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1n60 h MET 96 Cb 0.72 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1n60 h MET 96 CO 0.02 0.56 0.00 -1.33 1.06 0.00 0.00 176.91 177.22 1n60 n MET 97 N -4.37 2.50 -3.51 1.72 2.81 -0.20 -4.96 117.12 111.10 1n60 n MET 97 Ca 0.04 -2.30 -0.19 0.00 -1.81 0.00 0.00 57.70 53.44 1n60 n MET 97 Cb 0.14 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.46 -2.16 1.07 2.03 -0.00 -0.94 -4.75 115.22 111.94 1n60 n HIS 98 Ca 0.19 0.92 0.04 0.00 0.46 0.00 0.00 57.72 59.33 1n60 n HIS 98 Cb 0.60 -4.90 0.12 0.00 -0.12 0.00 0.00 29.99 25.68 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 -1.29 0.45 3.28 1.57 0.00 0.34 -4.71 105.19 104.83 1n60 n GLY 99 Ca -0.27 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.99 0.67 0.00 0.99 2.34 -1.26 -4.60 118.68 115.83 1n60 s LEU 100 Ca 0.17 -0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.21 1n60 s LEU 100 Cb 0.10 1.54 0.00 0.00 -0.56 0.00 0.00 46.19 47.26 1n60 s LEU 100 CO 0.11 -0.66 0.00 0.00 -1.06 0.00 0.00 176.35 174.73 1n60 n GLN 101 N 0.44 0.00 0.25 1.48 6.02 -1.26 -4.86 117.38 119.45 1n60 n GLN 101 Ca -0.18 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 56.95 1n60 n GLN 101 Cb 0.60 0.00 0.54 0.00 1.02 0.00 0.00 30.24 32.40 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 0.22 0.87 0.13 0.00 0.00 -1.26 -4.93 105.19 100.22 1n60 n GLY 103 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.39 -0.00 1.61 3.20 -1.98 -2.69 116.97 117.49 1n60 h TYR 104 Ca 0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1n60 h TYR 104 Cb 0.00 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1n60 h TYR 104 CO 0.00 1.03 -0.27 0.00 -1.64 0.00 0.00 178.16 177.28 1n60 h THR 106 N 0.09 1.25 -0.63 0.00 2.02 -1.85 0.75 112.91 114.54 1n60 h THR 106 Ca 0.00 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.38 1n60 h THR 106 Cb 0.49 1.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 1n60 h THR 106 CO 0.00 0.28 0.29 -0.65 0.37 0.00 0.00 175.52 175.80 1n60 h PRO 107 N 0.24 0.50 0.00 6.66 0.11 -1.79 0.47 132.00 138.19 1n60 h PRO 107 Ca 0.08 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 1n60 h PRO 107 Cb 0.40 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1n60 h PRO 107 CO 0.01 0.33 -0.60 0.78 -0.21 0.00 0.00 178.00 178.31 1n60 h GLY 108 N 0.51 0.00 0.92 -0.55 0.00 -1.55 0.05 103.07 102.46 1n60 h GLY 108 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 1n60 h GLY 108 CO -0.25 0.00 -0.12 1.98 0.00 0.00 0.00 176.54 178.14 1n60 h MET 109 N 0.00 0.65 -0.37 4.80 -1.53 -0.18 -0.41 114.93 117.89 1n60 h MET 109 Ca -0.01 -0.27 -0.12 0.00 -3.44 0.00 0.00 59.70 55.86 1n60 h MET 109 Cb 1.11 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.12 1n60 h MET 109 CO 0.08 0.85 -0.24 0.82 0.14 0.00 0.00 176.91 178.56 1n60 h ILE 110 N 0.41 1.28 -0.41 1.77 2.04 -0.81 0.23 117.51 122.03 1n60 h ILE 110 Ca 0.07 -1.39 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 1n60 h ILE 110 Cb 0.64 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1n60 h ILE 110 CO 0.04 0.46 -0.19 0.24 0.00 0.00 0.00 178.15 178.70 1n60 h MET 111 N 0.61 0.80 -0.11 2.37 2.86 -0.89 0.75 114.93 121.32 1n60 h MET 111 Ca 0.08 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1n60 h MET 111 Cb 0.80 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1n60 h MET 111 CO 0.07 0.93 0.05 -0.09 1.06 0.00 0.00 176.91 178.92 1n60 h ARG 112 N 0.70 0.16 -0.26 1.72 9.65 -0.95 -2.98 114.38 122.42 1n60 h ARG 112 Ca 0.10 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1n60 h ARG 112 Cb 0.70 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1n60 h ARG 112 CO 0.05 0.23 0.14 0.77 2.80 0.00 0.00 179.97 183.97 1n60 h SER 113 N 0.05 0.31 -0.43 -3.80 0.02 -0.55 0.06 113.55 109.21 1n60 h SER 113 Ca 0.04 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1n60 h SER 113 Cb 0.13 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1n60 h SER 113 CO -0.00 0.26 0.14 -0.74 -1.14 0.00 0.00 176.83 175.35 1n60 h HIS 114 N 0.36 0.26 -0.12 3.45 -0.00 -0.71 -0.54 115.15 117.84 1n60 h HIS 114 Ca 0.09 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.26 1n60 h HIS 114 Cb 0.01 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1n60 h HIS 114 CO 0.00 0.09 -0.81 -0.09 -0.00 0.00 0.00 177.93 177.12 1n60 h ARG 115 N 0.31 0.72 -0.70 5.26 9.65 -1.29 -3.05 114.38 125.27 1n60 h ARG 115 Ca 0.20 -0.61 0.10 0.00 -1.10 0.00 0.00 59.98 58.58 1n60 h ARG 115 Cb 0.20 0.13 -0.08 0.00 -1.39 0.00 0.00 29.97 28.84 1n60 h ARG 115 CO -0.21 1.22 0.32 1.25 2.80 0.00 0.00 179.97 185.35 1n60 h LEU 116 N 0.48 0.38 -0.19 3.80 5.85 -0.58 0.66 115.31 125.72 1n60 h LEU 116 Ca -0.06 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1n60 h LEU 116 Cb 1.43 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1n60 h LEU 116 CO 0.16 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.65 1n60 n LEU 117 N -4.92 0.75 0.12 2.25 4.77 -0.25 -0.62 117.00 119.11 1n60 n LEU 117 Ca 0.11 0.60 -0.21 0.00 -0.03 0.00 0.00 56.01 56.48 1n60 n LEU 117 Cb 0.31 -0.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1n60 n LEU 117 CO 0.23 -0.28 -0.23 1.56 -1.33 0.00 0.00 177.39 177.34 1n60 h GLN 118 N 0.00 0.42 -0.83 3.23 4.20 -1.11 -2.88 115.11 118.13 1n60 h GLN 118 Ca 0.00 -0.71 -0.02 0.00 0.06 0.00 0.00 58.65 57.98 1n60 h GLN 118 Cb 0.63 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 1n60 h GLN 118 CO 0.00 1.33 0.45 0.93 -0.67 0.00 0.00 178.83 180.87 1n60 h GLU 119 N 0.11 1.15 -1.85 1.46 5.08 -0.36 -3.41 114.58 116.77 1n60 h GLU 119 Ca -0.23 -0.13 -0.31 0.00 -1.00 0.00 0.00 59.36 57.68 1n60 h GLU 119 Cb 2.09 -0.23 -0.30 0.00 0.50 0.00 0.00 28.75 30.82 1n60 h GLU 119 CO 0.23 0.85 -0.64 1.21 -1.00 0.00 0.00 179.01 179.66 1n60 s ASN 120 N -6.15 0.87 0.50 1.42 3.84 0.21 -5.03 114.94 110.60 1n60 s ASN 120 Ca -0.13 -1.28 0.33 0.00 0.21 0.00 0.00 52.86 52.00 1n60 s ASN 120 Cb 0.16 0.76 1.50 0.00 -0.55 0.00 0.00 41.25 43.12 1n60 s ASN 120 CO 0.82 -0.28 1.99 -0.65 -2.79 0.00 0.00 177.10 176.19 1n60 h PRO 121 N 7.31 0.00 -2.05 0.43 0.11 -1.74 -3.33 132.00 132.73 1n60 h PRO 121 Ca 0.01 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.55 1n60 h PRO 121 Cb 1.08 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.79 1n60 h PRO 121 CO 0.21 0.00 -0.96 0.45 -0.21 0.00 0.00 178.00 177.49 1n60 n SER 122 N -2.86 1.20 -4.81 -2.05 2.88 -1.26 -4.82 113.62 101.89 1n60 n SER 122 Ca -0.00 -2.91 -0.34 0.00 -1.33 0.00 0.00 58.87 54.29 1n60 n SER 122 Cb 0.22 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 62.97 1n60 n SER 122 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n60 s PRO 123 N -1.57 4.29 0.98 -1.46 0.04 -1.25 -5.06 135.00 130.96 1n60 s PRO 123 Ca 0.37 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.39 1n60 s PRO 123 Cb 0.17 -2.38 0.17 0.00 0.04 0.00 0.00 34.50 32.51 1n60 s PRO 123 CO -0.08 0.08 1.12 0.95 0.04 0.00 0.00 177.00 179.10 1n60 s THR 124 N -2.01 1.98 0.17 1.26 -4.23 -1.26 -4.80 115.64 106.76 1n60 s THR 124 Ca 0.58 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.95 1n60 s THR 124 Cb -0.12 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1n60 s THR 124 CO 0.16 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 175.98 1n60 h GLU 125 N -1.77 0.60 -0.70 3.99 4.81 -1.99 0.94 114.58 120.47 1n60 h GLU 125 Ca -0.52 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 1n60 h GLU 125 Cb 1.33 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1n60 h GLU 125 CO 0.58 0.40 0.24 0.00 -0.73 0.00 0.00 179.01 179.49 1n60 h ALA 126 N 1.22 1.10 -0.39 2.92 0.00 -1.99 -0.54 119.26 121.58 1n60 h ALA 126 Ca 0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1n60 h ALA 126 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1n60 h ALA 126 CO -0.08 0.62 -0.04 0.93 0.00 0.00 0.00 179.25 180.67 1n60 h GLU 127 N 1.02 0.64 -0.01 0.00 5.08 -1.68 -1.16 114.58 118.48 1n60 h GLU 127 Ca 0.23 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1n60 h GLU 127 Cb 0.26 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1n60 h GLU 127 CO -0.01 0.69 0.00 0.82 -1.00 0.00 0.00 179.01 179.51 1n60 h ILE 128 N 0.60 1.18 -0.37 3.13 2.04 -0.21 0.50 117.51 124.37 1n60 h ILE 128 Ca 0.12 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1n60 h ILE 128 Cb 0.44 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1n60 h ILE 128 CO 0.02 0.14 0.18 0.03 0.00 0.00 0.00 178.15 178.52 1n60 h ARG 129 N -0.21 0.53 -0.82 2.37 3.08 -0.93 -0.76 114.38 117.64 1n60 h ARG 129 Ca 0.00 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1n60 h ARG 129 Cb 0.22 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1n60 h ARG 129 CO 0.00 0.46 0.36 0.35 -1.07 0.00 0.00 179.97 180.07 1n60 h PHE 130 N 0.46 1.21 0.00 3.04 3.57 -1.23 -2.93 116.94 121.06 1n60 h PHE 130 Ca 0.13 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1n60 h PHE 130 Cb 0.10 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.47 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 1.18 0.00 -1.63 2.40 0.00 0.04 -1.61 103.07 103.45 1n60 h GLY 131 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1n60 h GLY 131 CO -0.03 0.00 -0.01 0.29 0.00 0.00 0.00 176.54 176.79 1n60 n ILE 132 N -2.82 2.34 0.32 2.60 -5.35 -0.38 -4.76 119.36 111.31 1n60 n ILE 132 Ca 0.00 -2.14 0.21 0.00 -0.27 0.00 0.00 62.75 60.55 1n60 n ILE 132 Cb 0.24 -0.28 1.02 0.00 -1.74 0.00 0.00 39.64 38.89 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 1.45 0.00 -0.24 3.28 0.00 -1.12 -1.15 103.07 105.29 1n60 h GLY 133 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1n60 h GLY 133 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.41 1n60 n GLY 134 N -0.72 -0.28 3.06 4.60 0.00 -1.26 -4.78 105.19 105.81 1n60 n GLY 134 Ca -0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.51 2.97 0.06 1.61 0.01 -0.44 -2.60 114.94 115.05 1n60 s ASN 135 Ca 0.28 -0.61 -0.09 0.00 -0.71 0.00 0.00 52.86 51.73 1n60 s ASN 135 Cb 0.14 -1.32 -0.06 0.00 0.41 0.00 0.00 41.25 40.42 1n60 s ASN 135 CO 0.22 -0.04 0.37 -0.76 -1.51 0.00 0.00 177.10 175.38 1n60 s LEU 136 N 1.38 4.36 -0.04 0.60 1.43 0.23 -4.98 118.68 121.67 1n60 s LEU 136 Ca 0.04 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1n60 s LEU 136 Cb -0.13 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.21 1n60 s LEU 136 CO -0.11 0.20 -0.09 0.00 0.23 0.00 0.00 176.35 176.58 1n60 h ARG 138 N 6.66 0.00 0.03 0.00 2.47 -2.02 -3.43 114.38 118.10 1n60 h ARG 138 Ca -0.34 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.02 1n60 h ARG 138 Cb 1.17 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.44 1n60 h ARG 138 CO 0.48 0.21 -2.18 0.00 0.56 0.00 0.00 179.97 179.04 1n60 n THR 140 N -3.15 0.00 -1.35 0.00 -2.24 -1.26 -4.94 114.28 101.33 1n60 n THR 140 Ca -0.33 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 1n60 n THR 140 Cb 1.06 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.33 1.28 4.68 3.38 0.00 -1.26 -4.05 105.19 110.55 1n60 n GLY 141 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.21 1.61 4.01 -1.26 -4.78 117.16 114.02 1n60 n TYR 142 Ca -0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.61 1n60 n TYR 142 Cb 0.47 -0.17 0.10 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.16 0.54 0.00 -0.72 4.15 -1.99 -0.56 115.11 116.68 1n60 h GLN 143 Ca 0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1n60 h GLN 143 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1n60 h GLN 143 CO 0.00 0.35 -0.29 -0.91 -1.93 0.00 0.00 178.83 176.05 1n60 h ASN 144 N 0.55 0.00 -0.47 -0.69 2.35 -1.85 -2.45 115.58 113.02 1n60 h ASN 144 Ca 0.30 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1n60 h ASN 144 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1n60 h ASN 144 CO -0.23 0.29 0.15 0.40 -1.65 0.00 0.00 177.43 176.39 1n60 h ILE 145 N 0.00 1.23 -0.20 2.81 2.04 -1.41 0.70 117.51 122.68 1n60 h ILE 145 Ca -0.00 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1n60 h ILE 145 Cb 1.06 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1n60 h ILE 145 CO 0.04 0.27 0.07 0.58 0.00 0.00 0.00 178.15 179.11 1n60 h VAL 146 N 0.62 0.96 -0.77 1.67 2.07 -0.97 -0.69 116.25 119.15 1n60 h VAL 146 Ca 0.15 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1n60 h VAL 146 Cb 0.27 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1n60 h VAL 146 CO -0.00 0.03 0.47 0.11 0.02 0.00 0.00 177.57 178.20 1n60 h LYS 147 N 0.17 0.86 -0.67 1.57 1.57 -1.25 -0.55 116.57 118.27 1n60 h LYS 147 Ca 0.08 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1n60 h LYS 147 Cb 0.05 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 1n60 h LYS 147 CO -0.08 0.57 0.41 0.00 -0.57 0.00 0.00 179.45 179.78 1n60 h ALA 148 N 1.36 0.87 -0.48 3.86 0.00 -0.18 0.12 119.26 124.82 1n60 h ALA 148 Ca 0.33 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1n60 h ALA 148 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1n60 h ALA 148 CO -0.15 0.17 -0.19 0.82 0.00 0.00 0.00 179.25 179.90 1n60 h ILE 149 N 0.80 1.27 -0.58 0.00 2.04 -0.67 -1.09 117.51 119.28 1n60 h ILE 149 Ca 0.27 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1n60 h ILE 149 Cb 0.03 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1n60 h ILE 149 CO -0.11 0.47 0.37 1.56 0.00 0.00 0.00 178.15 180.44 1n60 h GLN 150 N 0.83 0.73 -0.33 2.37 4.20 -0.81 0.57 115.11 122.67 1n60 h GLN 150 Ca 0.11 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1n60 h GLN 150 Cb 0.76 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1n60 h GLN 150 CO 0.06 0.48 0.15 -0.92 -0.67 0.00 0.00 178.83 177.93 1n60 h TYR 151 N 0.75 0.27 -0.33 2.96 5.03 -0.55 -0.79 116.97 124.30 1n60 h TYR 151 Ca 0.22 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.52 1n60 h TYR 151 Cb -0.04 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1n60 h TYR 151 CO -0.04 0.13 0.08 0.00 -1.32 0.00 0.00 178.16 177.01 1n60 h ALA 152 N 1.19 0.43 -0.57 1.82 0.00 -0.77 -0.59 119.26 120.78 1n60 h ALA 152 Ca 0.14 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n60 h ALA 152 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1n60 h ALA 152 CO -0.12 0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.56 1n60 h ALA 153 N 0.91 0.74 -0.45 0.00 0.00 -0.61 -0.02 119.26 119.84 1n60 h ALA 153 Ca 0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n60 h ALA 153 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1n60 h ALA 153 CO 0.00 0.03 0.04 0.00 0.00 0.00 0.00 179.25 179.31 1n60 h ALA 154 N 1.27 1.22 -0.10 0.00 0.00 -0.79 0.27 119.26 121.13 1n60 h ALA 154 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1n60 h ALA 154 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1n60 h ALA 154 CO -0.13 0.52 0.00 0.87 0.00 0.00 0.00 179.25 180.52 1n60 h LYS 155 N 0.68 0.17 -0.59 0.00 1.79 -0.59 -0.46 116.57 117.58 1n60 h LYS 155 Ca 0.14 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1n60 h LYS 155 Cb 0.37 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1n60 h LYS 155 CO 0.01 0.41 0.19 0.82 -1.08 0.00 0.00 179.45 179.80 1n60 h ILE 156 N -0.09 1.24 0.00 1.86 2.04 -0.67 -3.15 117.51 118.73 1n60 h ILE 156 Ca 0.03 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1n60 h ILE 156 Cb 0.33 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1n60 h ILE 156 CO 0.00 0.31 -0.18 0.78 0.00 0.00 0.00 178.15 179.06 1n60 h ASN 157 N 0.83 0.00 -0.07 1.72 2.35 -0.34 -3.47 115.58 116.59 1n60 h ASN 157 Ca 0.19 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1n60 h ASN 157 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1n60 h ASN 157 CO -0.01 0.02 -0.03 0.61 -1.65 0.00 0.00 177.43 176.38 1n60 n GLY 158 N 1.27 0.49 3.58 2.83 0.00 -0.21 -4.99 105.19 108.16 1n60 n GLY 158 Ca 0.05 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1n60 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n60 s VAL 159 N -1.88 0.00 0.70 1.61 0.11 -1.05 -5.04 120.40 114.85 1n60 s VAL 159 Ca 0.00 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 1n60 s VAL 159 Cb 0.00 -0.95 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1n60 s VAL 159 CO 0.00 -0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.69 1n60 s PRO 160 N 0.13 2.94 0.00 1.54 0.04 -1.26 -4.35 135.00 134.04 1n60 s PRO 160 Ca -0.02 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1n60 s PRO 160 Cb -0.04 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1n60 s PRO 160 CO 0.02 -0.99 0.00 0.34 0.04 0.00 0.00 177.00 176.41 1n60 n PHE 161 N -2.99 0.00 -2.51 0.56 7.35 -1.26 -5.05 117.46 113.56 1n60 n PHE 161 Ca 0.07 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.53 1n60 n PHE 161 Cb 0.56 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.44 1n60 n PHE 161 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1n60 s GLU 162 N 0.00 2.45 0.00 -4.13 2.02 -1.26 -5.21 118.70 112.57 1n60 s GLU 162 Ca 0.00 -0.61 0.27 0.00 0.02 0.00 0.00 54.97 54.65 1n60 s GLU 162 Cb 0.00 -2.39 0.82 0.00 0.10 0.00 0.00 34.13 32.66 1n60 s GLU 162 CO 0.00 -0.86 1.62 -0.85 0.02 0.00 0.00 175.26 175.18