#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sc0 s TRP 3 N 0.00 3.29 -1.28 1.96 0.23 -1.26 -4.75 118.94 117.13 1sc0 s TRP 3 Ca 0.00 1.63 0.11 0.00 -2.03 0.00 0.00 56.10 55.81 1sc0 s TRP 3 Cb 0.00 -3.25 0.13 0.00 0.03 0.00 0.00 33.47 30.38 1sc0 s TRP 3 CO 0.00 -0.80 0.92 1.63 0.96 0.00 0.00 176.95 179.66 1sc0 n LYS 4 N 0.31 0.94 -4.26 4.98 5.02 -0.36 -4.97 118.16 119.83 1sc0 n LYS 4 Ca 0.03 -1.31 -0.18 0.00 -2.02 0.00 0.00 58.31 54.83 1sc0 n LYS 4 Cb 0.47 -1.22 -0.13 0.00 -0.02 0.00 0.00 35.03 34.14 1sc0 n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sc0 s LYS 5 N -0.93 0.81 0.26 1.97 1.02 -1.18 -4.81 119.74 116.88 1sc0 s LYS 5 Ca 0.15 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 1sc0 s LYS 5 Cb 0.10 -0.78 -0.08 0.00 -0.52 0.00 0.00 37.83 36.54 1sc0 s LYS 5 CO 0.14 0.19 0.67 0.95 -0.92 0.00 0.00 175.35 176.37 1sc0 s THR 6 N -0.97 4.74 0.21 2.17 -4.23 -1.26 -5.02 115.64 111.27 1sc0 s THR 6 Ca -0.01 0.89 -0.23 0.00 -1.18 0.00 0.00 61.69 61.16 1sc0 s THR 6 Cb -0.08 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1sc0 s THR 6 CO 0.01 -0.03 0.74 0.72 -0.54 0.00 0.00 174.62 175.52 1sc0 s PHE 7 N -1.79 -0.29 0.05 3.99 -0.12 -1.26 -5.15 117.98 113.41 1sc0 s PHE 7 Ca 0.48 -0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.34 1sc0 s PHE 7 Cb -0.12 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1sc0 s PHE 7 CO 0.19 -1.02 -0.09 0.95 -0.05 0.00 0.00 175.22 175.20 1sc0 s THR 8 N -3.72 0.69 0.38 -4.49 -4.23 -1.26 -5.04 115.64 97.97 1sc0 s THR 8 Ca 0.08 -1.19 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1sc0 s THR 8 Cb -0.04 -0.79 0.20 0.00 1.34 0.00 0.00 72.50 73.22 1sc0 s THR 8 CO -0.00 -0.38 1.96 -0.07 -0.54 0.00 0.00 174.62 175.59 1sc0 h LEU 9 N 4.34 0.42 -0.39 4.79 3.38 -1.99 -1.13 115.31 124.73 1sc0 h LEU 9 Ca -0.37 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1sc0 h LEU 9 Cb 1.20 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1sc0 h LEU 9 CO 0.42 0.42 0.12 -0.08 0.09 0.00 0.00 178.44 179.42 1sc0 h GLU 10 N 0.46 0.60 -0.35 1.13 4.81 -1.96 -1.90 114.58 117.37 1sc0 h GLU 10 Ca 0.11 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1sc0 h GLU 10 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1sc0 h GLU 10 CO -0.01 0.61 -0.39 -0.97 -0.73 0.00 0.00 179.01 177.52 1sc0 h ASN 11 N 0.48 0.89 -0.63 1.04 -1.24 -1.86 -1.69 115.58 112.57 1sc0 h ASN 11 Ca 0.13 -0.41 -0.04 0.00 0.71 0.00 0.00 56.30 56.69 1sc0 h ASN 11 Cb 0.25 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 1sc0 h ASN 11 CO -0.00 1.17 0.25 -0.07 -1.29 0.00 0.00 177.43 177.49 1sc0 h LEU 12 N 0.69 0.87 -1.10 0.34 3.38 -1.14 0.10 115.31 118.44 1sc0 h LEU 12 Ca 0.06 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1sc0 h LEU 12 Cb 0.96 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1sc0 h LEU 12 CO 0.09 0.80 -0.40 0.78 0.09 0.00 0.00 178.44 179.80 1sc0 h ASN 13 N 0.88 0.09 -0.31 -0.43 2.35 -1.28 -1.66 115.58 115.23 1sc0 h ASN 13 Ca 0.21 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.78 1sc0 h ASN 13 Cb 0.20 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1sc0 h ASN 13 CO -0.02 0.48 -0.36 -0.61 -1.65 0.00 0.00 177.43 175.27 1sc0 h GLN 14 N 0.07 0.85 0.00 0.81 -0.00 -0.65 -2.13 115.11 114.06 1sc0 h GLN 14 Ca 0.00 -0.43 -0.06 0.00 -0.00 0.00 0.00 58.65 58.17 1sc0 h GLN 14 Cb 0.75 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.23 1sc0 h GLN 14 CO 0.06 1.07 -0.30 1.25 0.00 0.00 0.00 178.83 180.91 1sc0 h LEU 15 N 0.70 0.00 -1.59 -2.39 5.85 -0.31 -2.58 115.31 114.99 1sc0 h LEU 15 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1sc0 h LEU 15 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1sc0 h LEU 15 CO 0.09 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 1sc0 s SER 17 N -1.70 5.21 -1.24 0.00 1.04 -0.82 -3.61 113.70 112.58 1sc0 s SER 17 Ca 0.34 2.13 -0.07 0.00 0.48 0.00 0.00 55.95 58.83 1sc0 s SER 17 Cb 0.20 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 1sc0 s SER 17 CO 0.30 -1.56 0.72 -3.20 0.98 0.00 0.00 173.24 170.47 1sc0 n ASN 18 N -2.02 -2.97 -2.43 7.02 5.15 -1.26 -4.94 115.26 113.81 1sc0 n ASN 18 Ca 0.11 -0.90 -0.10 0.00 -0.60 0.00 0.00 54.58 53.10 1sc0 n ASN 18 Cb 0.51 -3.84 -0.01 0.00 -0.53 0.00 0.00 39.78 35.91 1sc0 n ASN 18 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1sc0 n SER 19 N -2.95 -1.21 0.10 1.20 3.41 -1.25 -5.01 113.62 107.91 1sc0 n SER 19 Ca -0.21 -2.34 0.09 0.00 -0.26 0.00 0.00 58.87 56.15 1sc0 n SER 19 Cb 0.65 2.17 0.56 0.00 -0.26 0.00 0.00 64.21 67.32 1sc0 n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sc0 h ALA 20 N 1.92 1.97 0.40 7.33 0.00 -1.94 -0.47 119.26 128.46 1sc0 h ALA 20 Ca -0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1sc0 h ALA 20 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sc0 h ALA 20 CO 0.29 -0.01 -0.19 0.28 0.00 0.00 0.00 179.25 179.62 1sc0 h VAL 21 N 0.24 0.61 -0.48 0.00 2.07 -1.95 -1.46 116.25 115.29 1sc0 h VAL 21 Ca 0.12 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 1sc0 h VAL 21 Cb 0.17 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1sc0 h VAL 21 CO -0.02 0.01 -0.01 -1.28 0.02 0.00 0.00 177.57 176.28 1sc0 h SER 22 N -0.55 0.77 -0.34 0.57 0.87 -1.54 -1.72 113.55 111.61 1sc0 h SER 22 Ca -0.05 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1sc0 h SER 22 Cb 0.42 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1sc0 h SER 22 CO 0.09 0.84 0.22 -0.74 -0.53 0.00 0.00 176.83 176.71 1sc0 h HIS 23 N 0.74 0.44 -0.35 2.24 2.76 -0.79 -0.96 115.15 119.22 1sc0 h HIS 23 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1sc0 h HIS 23 Cb 0.47 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1sc0 h HIS 23 CO 0.02 0.29 0.00 1.28 -1.30 0.00 0.00 177.93 178.22 1sc0 n LEU 24 N -4.47 2.08 -0.58 0.26 4.77 -0.58 -4.91 117.00 113.58 1sc0 n LEU 24 Ca 0.02 -1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 54.92 1sc0 n LEU 24 Cb 0.07 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1sc0 n LEU 24 CO 0.35 0.50 -0.07 0.61 -1.33 0.00 0.00 177.39 177.45 1sc0 n GLY 25 N 1.15 0.95 3.73 -0.72 0.00 -0.36 -4.53 105.19 105.40 1sc0 n GLY 25 Ca 0.14 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1sc0 n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sc0 s ILE 26 N -2.21 3.87 -0.07 -0.61 1.01 -0.67 -4.33 121.20 118.19 1sc0 s ILE 26 Ca 0.00 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.21 1sc0 s ILE 26 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.50 1sc0 s ILE 26 CO 0.00 0.24 -0.07 -0.70 0.00 0.00 0.00 174.94 174.41 1sc0 s GLU 27 N -0.08 1.22 -0.24 2.79 2.12 -0.43 -4.52 118.70 119.56 1sc0 s GLU 27 Ca 0.51 -0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 1sc0 s GLU 27 Cb -0.30 -1.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.86 1sc0 s GLU 27 CO 0.34 -0.14 1.64 0.42 -0.54 0.00 0.00 175.26 176.98 1sc0 s ILE 28 N 1.22 3.66 -0.13 -3.70 -1.09 -1.26 -0.96 121.20 118.95 1sc0 s ILE 28 Ca -0.05 0.74 0.17 0.00 -2.23 0.00 0.00 60.65 59.27 1sc0 s ILE 28 Cb -0.14 -3.71 -0.24 0.00 -1.58 0.00 0.00 42.46 36.79 1sc0 s ILE 28 CO -0.02 -0.32 0.18 -1.54 -1.23 0.00 0.00 174.94 172.00 1sc0 n SER 29 N 8.71 0.63 -3.65 3.58 3.41 -0.60 -4.90 113.62 120.80 1sc0 n SER 29 Ca 0.19 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.76 1sc0 n SER 29 Cb 0.45 1.24 -0.02 0.00 -0.26 0.00 0.00 64.21 65.63 1sc0 n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sc0 s ALA 30 N -2.72 -1.77 0.05 7.33 0.00 -1.19 -5.01 121.76 118.45 1sc0 s ALA 30 Ca -0.08 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.17 1sc0 s ALA 30 Cb 0.07 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.77 1sc0 s ALA 30 CO 0.75 -0.91 0.52 -0.59 0.00 0.00 0.00 175.76 175.53 1sc0 s PHE 31 N -3.14 -0.43 0.00 0.00 -0.71 -1.26 -0.15 117.98 112.29 1sc0 s PHE 31 Ca 0.10 0.47 0.00 0.00 -1.04 0.00 0.00 56.93 56.46 1sc0 s PHE 31 Cb -0.01 0.35 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 1sc0 s PHE 31 CO -0.02 -0.65 0.00 0.41 -1.34 0.00 0.00 175.22 173.62 1sc0 n GLY 32 N 0.38 6.59 0.17 1.99 0.00 0.33 -4.98 105.19 109.67 1sc0 n GLY 32 Ca -0.18 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 43.87 1sc0 n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sc0 h GLU 33 N 0.00 0.00 0.00 1.61 5.08 -2.03 -3.35 114.58 115.89 1sc0 h GLU 33 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1sc0 h GLU 33 Cb 0.00 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.94 1sc0 h GLU 33 CO 0.00 0.43 -0.92 -0.40 -1.00 0.00 0.00 179.01 177.12 1sc0 n ASP 34 N -3.36 1.03 -3.43 1.42 5.68 -1.26 -3.53 116.55 113.10 1sc0 n ASP 34 Ca 0.01 -2.26 -0.12 0.00 -0.50 0.00 0.00 54.79 51.92 1sc0 n ASP 34 Cb 0.62 -0.32 -0.02 0.00 -1.14 0.00 0.00 41.12 40.25 1sc0 n ASP 34 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 1sc0 s TRP 35 N -0.45 -0.53 -0.06 2.11 1.48 -1.26 -4.45 118.94 115.78 1sc0 s TRP 35 Ca 0.32 0.35 -0.12 0.00 -1.06 0.00 0.00 56.10 55.58 1sc0 s TRP 35 Cb 0.36 0.54 0.02 0.00 -1.16 0.00 0.00 33.47 33.23 1sc0 s TRP 35 CO -0.14 -0.83 0.30 -1.50 -4.06 0.00 0.00 176.95 170.71 1sc0 s ILE 36 N -3.64 0.03 0.21 0.66 2.07 -1.05 -0.51 121.20 118.97 1sc0 s ILE 36 Ca 0.01 -0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.07 1sc0 s ILE 36 Cb -0.01 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 1sc0 s ILE 36 CO -0.12 -0.14 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.01 1sc0 s GLU 37 N -0.60 1.37 -0.03 3.50 2.02 0.79 -1.00 118.70 124.75 1sc0 s GLU 37 Ca -0.07 -1.61 -0.05 0.00 0.02 0.00 0.00 54.97 53.26 1sc0 s GLU 37 Cb -0.04 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 33.01 1sc0 s GLU 37 CO 0.02 0.20 0.12 0.00 0.02 0.00 0.00 175.26 175.62 1sc0 s ALA 38 N -2.92 -0.29 0.00 5.21 0.00 -0.72 -1.55 121.76 121.48 1sc0 s ALA 38 Ca 0.23 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1sc0 s ALA 38 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1sc0 s ALA 38 CO 0.08 -0.12 0.00 0.25 0.00 0.00 0.00 175.76 175.97 1sc0 n THR 39 N 2.41 0.00 -4.35 0.00 -2.24 -0.13 -0.52 114.28 109.45 1sc0 n THR 39 Ca -0.17 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 1sc0 n THR 39 Cb 0.58 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1sc0 n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sc0 s PRO 41 N -1.28 1.77 -0.65 -0.78 0.04 -1.26 -1.32 135.00 131.52 1sc0 s PRO 41 Ca 0.00 -1.37 -0.07 0.00 0.04 0.00 0.00 61.00 59.60 1sc0 s PRO 41 Cb 0.00 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.70 1sc0 s PRO 41 CO 0.00 0.43 0.52 0.08 0.04 0.00 0.00 177.00 178.06 1sc0 s VAL 42 N -1.59 4.37 0.00 -0.36 1.01 0.11 -4.67 120.40 119.27 1sc0 s VAL 42 Ca 0.22 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.62 1sc0 s VAL 42 Cb -0.09 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1sc0 s VAL 42 CO 0.12 -0.90 0.00 -0.90 0.00 0.00 0.00 175.10 173.42 1sc0 n ASP 43 N 3.91 0.00 0.32 3.32 5.68 -1.26 -4.43 116.55 124.09 1sc0 n ASP 43 Ca 0.07 -0.95 0.16 0.00 -0.50 0.00 0.00 54.79 53.56 1sc0 n ASP 43 Cb 0.41 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.20 1sc0 n ASP 43 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1sc0 h HIS 44 N 0.95 0.00 0.00 2.11 3.86 -1.97 0.16 115.15 120.26 1sc0 h HIS 44 Ca 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1sc0 h HIS 44 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1sc0 h HIS 44 CO 0.00 0.00 -0.46 0.00 0.86 0.00 0.00 177.93 178.33 1sc0 h ARG 45 N 0.00 0.00 -1.46 2.45 3.08 -1.95 -3.48 114.38 113.02 1sc0 h ARG 45 Ca 0.01 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.49 1sc0 h ARG 45 Cb 0.71 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.34 1sc0 h ARG 45 CO -0.00 0.46 -0.77 0.25 -1.07 0.00 0.00 179.97 178.84 1sc0 n THR 46 N -3.25 2.26 -4.24 2.04 -2.24 0.54 -5.00 114.28 104.39 1sc0 n THR 46 Ca 0.02 -4.77 -0.25 0.00 -2.27 0.00 0.00 64.05 56.78 1sc0 n THR 46 Cb 0.69 -1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 67.73 1sc0 n THR 46 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sc0 s GLN 48 N -3.51 2.16 0.65 -0.78 -0.21 0.44 -0.80 119.66 117.61 1sc0 s GLN 48 Ca 0.46 -1.85 0.38 0.00 0.02 0.00 0.00 55.36 54.37 1sc0 s GLN 48 Cb 0.40 -1.93 2.05 0.00 1.00 0.00 0.00 33.01 34.53 1sc0 s GLN 48 CO -0.17 -0.05 2.15 -1.00 -2.12 0.00 0.00 175.29 174.11 1sc0 h PRO 49 N 1.56 0.00 -0.64 2.91 0.13 -1.98 -2.62 132.00 131.35 1sc0 h PRO 49 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1sc0 h PRO 49 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1sc0 h PRO 49 CO 0.71 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.45 1sc0 n PHE 50 N -2.95 1.42 -0.65 1.56 -1.74 -1.26 -4.96 117.46 108.88 1sc0 n PHE 50 Ca -0.03 -0.55 0.00 0.00 -0.56 0.00 0.00 57.45 56.31 1sc0 n PHE 50 Cb 0.19 -0.26 0.00 0.00 1.52 0.00 0.00 39.48 40.93 1sc0 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sc0 n GLY 51 N 0.99 0.73 3.22 4.97 0.00 -0.99 -5.09 105.19 109.02 1sc0 n GLY 51 Ca 0.23 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1sc0 n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sc0 s VAL 52 N -2.00 1.27 0.15 1.61 -7.23 -1.26 -4.61 120.40 108.33 1sc0 s VAL 52 Ca 0.00 -1.54 -0.34 0.00 -1.81 0.00 0.00 61.98 58.28 1sc0 s VAL 52 Cb 0.00 -1.36 -0.15 0.00 0.56 0.00 0.00 36.38 35.43 1sc0 s VAL 52 CO 0.00 -0.31 1.35 -0.11 -0.31 0.00 0.00 175.10 175.72 1sc0 n LEU 53 N 0.87 2.14 -4.64 1.32 7.94 0.66 -0.42 117.00 124.86 1sc0 n LEU 53 Ca -0.18 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.41 1sc0 n LEU 53 Cb 0.56 -1.28 -0.02 0.00 0.53 0.00 0.00 43.42 43.20 1sc0 n LEU 53 CO 0.24 -0.87 1.13 -2.28 -1.11 0.00 0.00 177.39 174.51 1sc0 s HIS 54 N 0.30 2.70 0.39 1.96 5.65 0.02 -4.65 115.29 121.66 1sc0 s HIS 54 Ca 0.78 0.89 0.09 0.00 0.25 0.00 0.00 55.06 57.07 1sc0 s HIS 54 Cb -0.82 -3.73 0.87 0.00 -1.18 0.00 0.00 32.58 27.72 1sc0 s HIS 54 CO 0.47 -1.85 1.96 0.78 -0.65 0.00 0.00 174.74 175.45 1sc0 h GLY 55 N 10.42 0.81 1.17 1.59 0.00 -1.90 -1.20 103.07 113.95 1sc0 h GLY 55 Ca -0.27 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1sc0 h GLY 55 CO 1.00 0.16 0.21 -1.33 0.00 0.00 0.00 176.54 176.58 1sc0 h GLY 56 N 0.60 1.12 1.85 4.60 0.00 -1.96 -2.03 103.07 107.25 1sc0 h GLY 56 Ca 0.30 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1sc0 h GLY 56 CO -0.10 0.61 -0.42 -2.08 0.00 0.00 0.00 176.54 174.55 1sc0 h VAL 57 N 1.01 1.31 -0.76 4.60 2.07 -1.59 -2.14 116.25 120.75 1sc0 h VAL 57 Ca 0.22 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1sc0 h VAL 57 Cb 0.29 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1sc0 h VAL 57 CO -0.01 0.45 0.35 0.28 0.02 0.00 0.00 177.57 178.66 1sc0 h SER 58 N 0.14 1.00 0.09 0.57 0.02 -0.64 -1.08 113.55 113.66 1sc0 h SER 58 Ca 0.01 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 1sc0 h SER 58 Cb 0.81 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1sc0 h SER 58 CO 0.06 0.86 -0.33 0.58 -1.14 0.00 0.00 176.83 176.87 1sc0 h VAL 59 N 1.09 1.28 -0.79 2.27 2.07 -0.89 -0.99 116.25 120.29 1sc0 h VAL 59 Ca 0.26 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1sc0 h VAL 59 Cb 0.14 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1sc0 h VAL 59 CO -0.03 0.42 0.32 0.00 0.02 0.00 0.00 177.57 178.30 1sc0 h ALA 60 N 1.35 1.06 -0.42 1.67 0.00 -0.67 -0.17 119.26 122.08 1sc0 h ALA 60 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1sc0 h ALA 60 Cb 0.73 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sc0 h ALA 60 CO 0.06 0.66 0.06 1.25 0.00 0.00 0.00 179.25 181.28 1sc0 h LEU 61 N 1.15 0.68 -0.60 0.00 5.85 -0.70 -1.85 115.31 119.85 1sc0 h LEU 61 Ca 0.26 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1sc0 h LEU 61 Cb 0.21 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1sc0 h LEU 61 CO -0.02 0.77 0.35 0.00 -0.34 0.00 0.00 178.44 179.20 1sc0 h ALA 62 N 0.93 0.76 -0.16 1.25 0.00 -0.68 -1.58 119.26 119.78 1sc0 h ALA 62 Ca 0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1sc0 h ALA 62 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sc0 h ALA 62 CO 0.01 0.25 -0.38 1.49 0.00 0.00 0.00 179.25 180.62 1sc0 h GLU 63 N 0.80 0.36 0.76 0.00 4.81 -0.97 -1.27 114.58 119.07 1sc0 h GLU 63 Ca 0.21 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1sc0 h GLU 63 Cb 0.00 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1sc0 h GLU 63 CO -0.04 0.69 -0.36 1.15 -0.73 0.00 0.00 179.01 179.72 1sc0 h THR 64 N 0.30 0.18 -0.39 0.32 2.02 -0.89 -0.81 112.91 113.64 1sc0 h THR 64 Ca 0.03 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 1sc0 h THR 64 Cb 0.81 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1sc0 h THR 64 CO 0.06 0.01 -0.14 -0.29 0.37 0.00 0.00 175.52 175.53 1sc0 h ILE 65 N -1.13 1.26 -0.51 3.11 6.09 -1.31 -1.37 117.51 123.65 1sc0 h ILE 65 Ca -0.10 -1.19 -0.09 0.00 -1.37 0.00 0.00 64.86 62.11 1sc0 h ILE 65 Cb 0.80 1.12 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 1sc0 h ILE 65 CO 0.17 0.40 -0.05 1.23 -3.07 0.00 0.00 178.15 176.83 1sc0 h GLY 66 N 0.98 1.01 1.30 8.18 0.00 -1.25 -0.97 103.07 112.31 1sc0 h GLY 66 Ca 0.10 -0.78 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 1sc0 h GLY 66 CO 0.04 0.71 -0.32 1.76 0.00 0.00 0.00 176.54 178.73 1sc0 h SER 67 N 0.80 0.82 -0.01 0.19 0.02 -0.96 -1.24 113.55 113.17 1sc0 h SER 67 Ca 0.14 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1sc0 h SER 67 Cb 0.59 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1sc0 h SER 67 CO 0.04 1.07 0.00 0.25 -1.14 0.00 0.00 176.83 177.05 1sc0 h LEU 68 N 0.66 0.01 -0.34 5.07 5.85 -1.14 -1.86 115.31 123.57 1sc0 h LEU 68 Ca 0.07 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1sc0 h LEU 68 Cb 0.86 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 1sc0 h LEU 68 CO 0.08 0.16 -0.06 0.00 -0.34 0.00 0.00 178.44 178.28 1sc0 h ALA 69 N 0.85 0.25 -1.00 1.25 0.00 -1.05 -1.93 119.26 117.64 1sc0 h ALA 69 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1sc0 h ALA 69 Cb 0.15 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1sc0 h ALA 69 CO -0.00 -0.44 0.64 0.78 0.00 0.00 0.00 179.25 180.23 1sc0 h GLY 70 N 0.03 1.51 2.00 0.00 0.00 -1.04 -1.61 103.07 103.97 1sc0 h GLY 70 Ca 0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1sc0 h GLY 70 CO -0.33 0.33 -0.13 1.48 0.00 0.00 0.00 176.54 177.90 1sc0 h SER 71 N 1.17 0.00 0.55 0.19 4.64 -0.59 -2.37 113.55 117.14 1sc0 h SER 71 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1sc0 h SER 71 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1sc0 h SER 71 CO -0.17 0.13 -0.12 0.18 -0.87 0.00 0.00 176.83 175.98 1sc0 n LEU 72 N -3.39 0.29 -1.21 5.97 4.77 -0.62 -3.51 117.00 119.30 1sc0 n LEU 72 Ca -0.01 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1sc0 n LEU 72 Cb 0.32 -0.28 0.29 0.00 -2.33 0.00 0.00 43.42 41.42 1sc0 n LEU 72 CO 0.30 0.06 0.74 0.00 -1.33 0.00 0.00 177.39 177.16 1sc0 s LEU 74 N -1.21 3.27 0.00 0.00 1.43 -1.23 -4.59 118.68 116.36 1sc0 s LEU 74 Ca 0.43 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1sc0 s LEU 74 Cb 0.24 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1sc0 s LEU 74 CO 0.27 -0.30 0.00 -0.62 0.23 0.00 0.00 176.35 175.93 1sc0 n GLU 75 N -1.16 0.64 -3.05 1.70 -0.58 -1.26 -4.41 120.64 112.53 1sc0 n GLU 75 Ca -0.03 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.37 1sc0 n GLU 75 Cb 0.61 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.42 1sc0 n GLU 75 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sc0 s GLU 76 N -0.85 4.15 -0.97 3.49 -6.30 -1.26 -3.86 118.70 113.09 1sc0 s GLU 76 Ca 0.00 0.85 -0.02 0.00 -2.50 0.00 0.00 54.97 53.29 1sc0 s GLU 76 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 34.13 31.61 1sc0 s GLU 76 CO 0.00 0.19 0.31 0.41 0.02 0.00 0.00 175.26 176.19 1sc0 n GLY 77 N -0.08 -0.07 3.08 -1.50 0.00 -1.26 -5.01 105.19 100.35 1sc0 n GLY 77 Ca 0.03 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1sc0 n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sc0 s LYS 78 N -5.14 0.26 0.31 1.61 2.47 -1.25 -3.75 119.74 114.26 1sc0 s LYS 78 Ca 0.15 0.18 -0.09 0.00 -1.56 0.00 0.00 55.97 54.65 1sc0 s LYS 78 Cb -0.07 0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.44 1sc0 s LYS 78 CO 0.19 -0.04 0.55 -0.08 0.16 0.00 0.00 175.35 176.13 1sc0 s THR 79 N -0.11 0.00 0.19 3.43 -1.32 -1.07 -4.80 115.64 111.96 1sc0 s THR 79 Ca -0.02 -1.39 0.10 0.00 -1.21 0.00 0.00 61.69 59.17 1sc0 s THR 79 Cb -0.02 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 1sc0 s THR 79 CO 0.00 0.00 -0.15 0.68 -2.21 0.00 0.00 174.62 172.94 1sc0 s VAL 80 N -3.28 2.84 -0.05 5.08 -7.23 -1.26 -2.05 120.40 114.45 1sc0 s VAL 80 Ca 0.24 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1sc0 s VAL 80 Cb -0.02 -2.40 0.02 0.00 0.56 0.00 0.00 36.38 34.55 1sc0 s VAL 80 CO 0.14 -0.13 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.06 1sc0 s VAL 81 N -1.73 0.62 0.21 1.32 1.01 -0.56 -4.95 120.40 116.32 1sc0 s VAL 81 Ca 0.24 -0.15 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 1sc0 s VAL 81 Cb -0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 36.38 35.54 1sc0 s VAL 81 CO 0.13 0.25 1.68 -0.83 0.00 0.00 0.00 175.10 176.33 1sc0 s GLY 82 N 1.01 1.37 -0.21 4.51 0.00 -1.26 -0.90 107.32 111.84 1sc0 s GLY 82 Ca -0.09 1.55 -0.08 0.00 0.00 0.00 0.00 44.72 46.09 1sc0 s GLY 82 CO -0.00 2.80 -0.25 -0.10 0.00 0.00 0.00 173.10 175.55 1sc0 n LEU 83 N 3.80 1.80 -3.59 0.66 7.94 0.11 -4.87 117.00 122.85 1sc0 n LEU 83 Ca 0.15 0.17 -0.10 0.00 -1.11 0.00 0.00 56.01 55.12 1sc0 n LEU 83 Cb 0.36 -0.63 -0.02 0.00 0.53 0.00 0.00 43.42 43.66 1sc0 n LEU 83 CO 0.63 0.52 0.46 1.51 -1.11 0.00 0.00 177.39 179.40 1sc0 s ASP 84 N -6.66 -0.43 -0.01 1.96 1.47 -1.09 -5.02 116.67 106.89 1sc0 s ASP 84 Ca -0.28 -0.22 -0.23 0.00 1.18 0.00 0.00 52.55 52.99 1sc0 s ASP 84 Cb 0.10 0.62 0.05 0.00 -0.34 0.00 0.00 42.92 43.35 1sc0 s ASP 84 CO 0.38 -1.07 0.50 -0.51 0.68 0.00 0.00 175.17 175.16 1sc0 s ILE 85 N -3.74 0.03 0.05 2.11 2.07 -1.26 -1.04 121.20 119.42 1sc0 s ILE 85 Ca 0.05 -0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1sc0 s ILE 85 Cb -0.03 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1sc0 s ILE 85 CO -0.05 -0.14 0.02 0.54 -1.91 0.00 0.00 174.94 173.40 1sc0 s ASN 86 N -1.48 0.38 -0.01 4.50 2.20 -0.73 -5.01 114.94 114.79 1sc0 s ASN 86 Ca -0.10 -0.87 -0.29 0.00 -0.94 0.00 0.00 52.86 50.66 1sc0 s ASN 86 Cb -0.02 0.22 0.07 0.00 -2.00 0.00 0.00 41.25 39.53 1sc0 s ASN 86 CO 0.04 -0.60 0.67 0.00 -2.94 0.00 0.00 177.10 174.28 1sc0 s ALA 87 N -3.65 -1.74 -0.09 3.54 0.00 -1.26 -1.66 121.76 116.89 1sc0 s ALA 87 Ca 0.04 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1sc0 s ALA 87 Cb 0.06 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1sc0 s ALA 87 CO -0.09 -0.46 -0.23 -0.80 0.00 0.00 0.00 175.76 174.18 1sc0 s ASN 88 N -1.53 3.19 -0.31 0.00 -0.87 0.02 -4.99 114.94 110.44 1sc0 s ASN 88 Ca -0.08 -0.52 -0.18 0.00 -1.57 0.00 0.00 52.86 50.51 1sc0 s ASN 88 Cb -0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 41.25 39.89 1sc0 s ASN 88 CO 0.05 0.18 0.49 -1.00 -2.57 0.00 0.00 177.10 174.25 1sc0 s HIS 89 N 0.24 3.22 -0.11 2.20 3.76 -1.26 -1.99 115.29 121.35 1sc0 s HIS 89 Ca -0.15 0.35 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 1sc0 s HIS 89 Cb -0.17 -2.81 -0.24 0.00 1.11 0.00 0.00 32.58 30.47 1sc0 s HIS 89 CO 0.08 -0.41 0.42 1.28 -0.85 0.00 0.00 174.74 175.25 1sc0 n LEU 90 N 5.62 1.77 -3.51 0.89 4.77 0.70 -4.98 117.00 122.25 1sc0 n LEU 90 Ca -0.05 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 1sc0 n LEU 90 Cb 0.49 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1sc0 n LEU 90 CO 0.42 0.65 0.42 0.00 -1.33 0.00 0.00 177.39 177.55 1sc0 s ARG 91 N -2.57 1.08 0.45 3.23 1.70 -1.16 -5.00 118.95 116.69 1sc0 s ARG 91 Ca -0.15 0.13 -0.22 0.00 -0.47 0.00 0.00 55.73 55.02 1sc0 s ARG 91 Cb 0.07 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.88 1sc0 s ARG 91 CO 0.78 -0.36 1.07 -1.25 -1.08 0.00 0.00 175.30 174.46 1sc0 s PRO 92 N -1.58 3.90 -0.09 3.89 0.04 -1.26 -4.78 135.00 135.12 1sc0 s PRO 92 Ca -0.09 1.50 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1sc0 s PRO 92 Cb -0.00 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.24 1sc0 s PRO 92 CO 0.06 -0.37 -0.17 0.08 0.04 0.00 0.00 177.00 176.65 1sc0 s VAL 93 N -1.78 1.56 -0.60 -0.36 1.01 -1.26 -5.00 120.40 113.97 1sc0 s VAL 93 Ca 0.63 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1sc0 s VAL 93 Cb -0.21 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1sc0 s VAL 93 CO 0.25 0.45 0.47 0.54 0.00 0.00 0.00 175.10 176.82 1sc0 n ARG 94 N 3.90 3.29 -3.82 2.72 1.74 -1.26 -0.25 116.66 122.98 1sc0 n ARG 94 Ca -0.20 -0.23 -0.06 0.00 -0.77 0.00 0.00 57.85 56.58 1sc0 n ARG 94 Cb 0.52 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 1sc0 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1sc0 s SER 95 N -1.63 -0.11 0.39 0.55 1.04 -1.26 -4.89 113.70 107.79 1sc0 s SER 95 Ca 0.05 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1sc0 s SER 95 Cb 0.07 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1sc0 s SER 95 CO 0.31 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1sc0 n GLY 96 N -0.53 -0.20 3.24 7.32 0.00 -1.26 -4.79 105.19 108.97 1sc0 n GLY 96 Ca -0.06 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 1sc0 n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sc0 s LYS 97 N 0.00 1.02 0.15 1.61 -2.85 -1.26 -0.71 119.74 117.70 1sc0 s LYS 97 Ca 0.00 -1.17 0.05 0.00 -1.00 0.00 0.00 55.97 53.84 1sc0 s LYS 97 Cb 0.00 -1.03 -0.04 0.00 -2.06 0.00 0.00 37.83 34.70 1sc0 s LYS 97 CO 0.00 0.22 0.13 0.14 0.10 0.00 0.00 175.35 175.94 1sc0 s VAL 98 N -1.72 4.52 -0.12 1.79 -7.23 -1.26 -3.31 120.40 113.08 1sc0 s VAL 98 Ca 0.06 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 1sc0 s VAL 98 Cb -0.07 -3.29 0.01 0.00 0.56 0.00 0.00 36.38 33.59 1sc0 s VAL 98 CO 0.03 -0.07 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.66 1sc0 s THR 99 N -1.70 1.85 -0.23 5.32 2.01 0.05 -4.30 115.64 118.65 1sc0 s THR 99 Ca 0.31 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 1sc0 s THR 99 Cb -0.10 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1sc0 s THR 99 CO 0.23 0.51 0.05 0.00 -0.69 0.00 0.00 174.62 174.72 1sc0 s ALA 100 N 0.71 3.16 -0.16 7.40 0.00 0.32 -0.70 121.76 132.48 1sc0 s ALA 100 Ca -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 1sc0 s ALA 100 Cb -0.16 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1sc0 s ALA 100 CO 0.02 -0.30 -0.05 0.50 0.00 0.00 0.00 175.76 175.92 1sc0 s ARG 101 N 1.27 3.57 -0.15 0.00 3.52 0.20 -1.75 118.95 125.61 1sc0 s ARG 101 Ca 0.04 -0.57 -0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1sc0 s ARG 101 Cb -0.15 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 1sc0 s ARG 101 CO 0.03 0.17 0.06 0.00 -0.81 0.00 0.00 175.30 174.75 1sc0 s ALA 102 N 0.54 3.45 0.01 6.12 0.00 -0.17 -1.48 121.76 130.23 1sc0 s ALA 102 Ca -0.04 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1sc0 s ALA 102 Cb -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1sc0 s ALA 102 CO 0.03 0.34 -0.07 0.95 0.00 0.00 0.00 175.76 177.01 1sc0 s THR 103 N -0.12 0.53 0.37 0.00 -4.23 -0.33 -2.53 115.64 109.32 1sc0 s THR 103 Ca 0.07 -0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 59.85 1sc0 s THR 103 Cb -0.12 -0.48 -0.09 0.00 1.34 0.00 0.00 72.50 73.15 1sc0 s THR 103 CO 0.01 0.02 1.05 -2.16 -0.54 0.00 0.00 174.62 173.00 1sc0 s PRO 104 N -0.50 4.29 -0.19 3.99 0.04 -1.26 -0.78 135.00 140.59 1sc0 s PRO 104 Ca -0.00 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 1sc0 s PRO 104 Cb -0.04 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 1sc0 s PRO 104 CO -0.00 -0.04 -0.23 -0.89 0.04 0.00 0.00 177.00 175.88 1sc0 n ILE 105 N 0.21 1.02 -3.66 0.56 5.41 -0.09 -4.83 119.36 117.99 1sc0 n ILE 105 Ca 0.04 -0.28 -0.06 0.00 1.00 0.00 0.00 62.75 63.44 1sc0 n ILE 105 Cb 0.49 -1.65 -0.07 0.00 -0.71 0.00 0.00 39.64 37.69 1sc0 n ILE 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1sc0 s ASN 106 N -6.53 -0.73 -0.45 4.38 3.84 -0.94 -4.99 114.94 109.52 1sc0 s ASN 106 Ca -0.26 1.27 -0.07 0.00 0.21 0.00 0.00 52.86 54.01 1sc0 s ASN 106 Cb 0.09 1.55 0.11 0.00 -0.55 0.00 0.00 41.25 42.46 1sc0 s ASN 106 CO 0.34 -0.22 0.30 -0.76 -2.79 0.00 0.00 177.10 173.96 1sc0 s LEU 107 N 2.27 5.52 0.52 3.21 1.43 -1.26 -0.42 118.68 129.95 1sc0 s LEU 107 Ca -0.06 -1.90 0.09 0.00 -1.03 0.00 0.00 54.13 51.22 1sc0 s LEU 107 Cb -0.10 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1sc0 s LEU 107 CO -0.16 -0.64 0.68 -0.83 0.23 0.00 0.00 176.35 175.63 1sc0 s GLY 108 N 2.38 1.86 0.18 -3.19 0.00 0.81 -5.00 107.32 104.37 1sc0 s GLY 108 Ca 0.06 -1.93 -0.11 0.00 0.00 0.00 0.00 44.72 42.73 1sc0 s GLY 108 CO -0.01 -1.66 1.75 3.21 0.00 0.00 0.00 173.10 176.38 1sc0 h ARG 109 N 0.39 0.92 0.00 2.90 2.47 -1.99 -3.34 114.38 115.73 1sc0 h ARG 109 Ca -0.34 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 1sc0 h ARG 109 Cb 1.29 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 1sc0 h ARG 109 CO 0.44 0.76 -1.46 0.09 0.56 0.00 0.00 179.97 180.36 1sc0 n ASN 110 N -4.46 2.89 -3.99 7.04 3.02 -1.26 -4.71 115.26 113.78 1sc0 n ASN 110 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 1sc0 n ASN 110 Cb 0.15 1.26 -0.15 0.00 -0.61 0.00 0.00 39.78 40.43 1sc0 n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sc0 s ILE 111 N -2.54 0.66 -0.01 2.41 -1.09 -1.25 -0.58 121.20 118.80 1sc0 s ILE 111 Ca -0.04 -0.32 0.08 0.00 -2.23 0.00 0.00 60.65 58.14 1sc0 s ILE 111 Cb 0.05 -0.57 -0.02 0.00 -1.58 0.00 0.00 42.46 40.34 1sc0 s ILE 111 CO 0.38 0.20 -0.24 -1.10 -1.23 0.00 0.00 174.94 172.95 1sc0 s GLN 112 N 0.01 1.85 -0.12 2.79 -0.21 -0.21 -0.14 119.66 123.64 1sc0 s GLN 112 Ca 0.00 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1sc0 s GLN 112 Cb -0.06 -1.84 0.01 0.00 1.00 0.00 0.00 33.01 32.13 1sc0 s GLN 112 CO -0.00 0.50 -0.16 0.08 -2.12 0.00 0.00 175.29 173.58 1sc0 s VAL 113 N -0.60 1.63 0.10 1.09 1.01 0.44 -0.50 120.40 123.56 1sc0 s VAL 113 Ca 0.09 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.47 1sc0 s VAL 113 Cb -0.09 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1sc0 s VAL 113 CO -0.00 0.47 -0.27 0.26 0.00 0.00 0.00 175.10 175.56 1sc0 s TRP 114 N 1.03 2.32 -0.11 5.22 0.52 0.11 -0.91 118.94 127.12 1sc0 s TRP 114 Ca -0.05 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 1sc0 s TRP 114 Cb -0.15 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.84 1sc0 s TRP 114 CO -0.03 0.26 -0.00 -1.14 0.02 0.00 0.00 176.95 176.06 1sc0 s GLN 115 N -1.77 3.23 -0.12 4.98 2.00 0.04 -0.70 119.66 127.32 1sc0 s GLN 115 Ca 0.13 -0.43 -0.00 0.00 -2.00 0.00 0.00 55.36 53.06 1sc0 s GLN 115 Cb -0.10 -2.86 0.02 0.00 0.80 0.00 0.00 33.01 30.88 1sc0 s GLN 115 CO 0.05 0.56 -0.09 0.42 -0.50 0.00 0.00 175.29 175.73 1sc0 s ILE 116 N -0.49 1.12 -0.18 -2.34 1.09 0.26 -1.19 121.20 119.46 1sc0 s ILE 116 Ca 0.09 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.25 1sc0 s ILE 116 Cb -0.12 -1.11 -0.02 0.00 -1.06 0.00 0.00 42.46 40.15 1sc0 s ILE 116 CO 0.02 0.38 -0.04 -1.81 -0.10 0.00 0.00 174.94 173.39 1sc0 s ASP 117 N 1.65 4.52 -0.16 3.58 1.01 -0.55 -0.77 116.67 125.94 1sc0 s ASP 117 Ca 0.04 -0.26 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 1sc0 s ASP 117 Cb -0.13 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.03 1sc0 s ASP 117 CO -0.08 0.08 -0.04 -0.63 0.21 0.00 0.00 175.17 174.70 1sc0 s ILE 118 N 0.89 3.75 0.20 0.77 1.01 0.15 -0.63 121.20 127.34 1sc0 s ILE 118 Ca -0.01 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.34 1sc0 s ILE 118 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1sc0 s ILE 118 CO 0.01 0.48 -0.19 -0.13 0.00 0.00 0.00 174.94 175.12 1sc0 s ARG 119 N 0.54 1.39 0.80 2.79 0.52 0.12 -1.13 118.95 123.97 1sc0 s ARG 119 Ca -0.04 -1.52 -0.09 0.00 -0.52 0.00 0.00 55.73 53.56 1sc0 s ARG 119 Cb -0.14 -1.44 0.11 0.00 0.52 0.00 0.00 34.95 33.99 1sc0 s ARG 119 CO 0.03 0.28 1.12 0.95 0.02 0.00 0.00 175.30 177.71 1sc0 s THR 120 N -2.25 2.13 -0.88 0.02 -4.23 0.10 -0.77 115.64 109.76 1sc0 s THR 120 Ca 0.20 -0.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1sc0 s THR 120 Cb -0.05 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.95 1sc0 s THR 120 CO 0.09 0.00 1.31 -1.84 -0.54 0.00 0.00 174.62 173.63 1sc0 n GLU 121 N -3.21 0.03 -0.48 3.99 0.28 -1.21 -0.19 120.64 119.85 1sc0 n GLU 121 Ca 0.11 0.41 0.11 0.00 -0.16 0.00 0.00 57.16 57.63 1sc0 n GLU 121 Cb 0.60 -1.57 0.34 0.00 1.43 0.00 0.00 31.44 32.24 1sc0 n GLU 121 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sc0 n GLU 122 N -1.63 3.17 -2.30 3.44 -0.58 -1.26 -4.95 120.64 116.54 1sc0 n GLU 122 Ca 0.01 -2.77 -0.18 0.00 -0.42 0.00 0.00 57.16 53.81 1sc0 n GLU 122 Cb 0.09 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.24 1sc0 n GLU 122 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sc0 n ASN 123 N 1.43 -5.15 -4.77 1.62 5.03 0.73 -5.01 115.26 109.13 1sc0 n ASN 123 Ca 0.25 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.35 1sc0 n ASN 123 Cb 0.74 -4.23 -0.08 0.00 -1.02 0.00 0.00 39.78 35.19 1sc0 n ASN 123 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sc0 s LYS 124 N -4.82 3.67 -0.03 3.52 -0.14 -1.26 -4.79 119.74 115.89 1sc0 s LYS 124 Ca 0.00 -0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.09 1sc0 s LYS 124 Cb 0.00 -3.21 -0.05 0.00 -1.68 0.00 0.00 37.83 32.89 1sc0 s LYS 124 CO 0.00 0.56 1.54 -0.51 -0.76 0.00 0.00 175.35 176.18 1sc0 s LEU 125 N -0.41 4.31 -0.01 3.17 1.43 -1.26 -0.72 118.68 125.18 1sc0 s LEU 125 Ca 0.11 2.17 0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1sc0 s LEU 125 Cb -0.12 -3.55 -0.16 0.00 0.03 0.00 0.00 46.19 42.40 1sc0 s LEU 125 CO 0.02 -0.84 0.24 0.00 0.23 0.00 0.00 176.35 176.00 1sc0 s VAL 128 N 0.52 1.23 0.03 0.00 -7.23 -0.84 -0.68 120.40 113.42 1sc0 s VAL 128 Ca -0.01 -0.66 -0.09 0.00 -1.81 0.00 0.00 61.98 59.41 1sc0 s VAL 128 Cb -0.05 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.87 1sc0 s VAL 128 CO -0.02 0.35 0.17 -0.55 -0.31 0.00 0.00 175.10 174.74 1sc0 s SER 129 N -0.35 0.04 -0.07 4.85 0.15 0.05 -0.80 113.70 117.57 1sc0 s SER 129 Ca 0.06 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1sc0 s SER 129 Cb -0.06 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 1sc0 s SER 129 CO -0.01 -0.50 -0.14 -0.60 1.20 0.00 0.00 173.24 173.19 1sc0 s ARG 130 N -2.22 1.92 -0.08 5.44 3.52 -0.66 -0.57 118.95 126.30 1sc0 s ARG 130 Ca -0.08 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 1sc0 s ARG 130 Cb -0.03 -1.55 -0.02 0.00 -1.56 0.00 0.00 34.95 31.79 1sc0 s ARG 130 CO -0.02 0.06 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.19 1sc0 s LEU 131 N 0.60 2.55 -0.18 -0.88 2.96 0.12 -1.78 118.68 122.07 1sc0 s LEU 131 Ca -0.15 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1sc0 s LEU 131 Cb -0.16 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1sc0 s LEU 131 CO 0.05 0.26 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.38 1sc0 s THR 132 N -0.25 3.38 0.06 3.68 2.01 -0.21 -0.71 115.64 123.60 1sc0 s THR 132 Ca 0.01 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.59 1sc0 s THR 132 Cb -0.13 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1sc0 s THR 132 CO 0.03 0.46 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.41 1sc0 s LEU 133 N 0.96 2.26 -0.05 4.42 1.43 0.34 -0.72 118.68 127.33 1sc0 s LEU 133 Ca -0.01 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1sc0 s LEU 133 Cb -0.15 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1sc0 s LEU 133 CO 0.00 0.24 0.25 -0.44 0.23 0.00 0.00 176.35 176.63 1sc0 s SER 134 N -1.41 6.52 -0.24 2.29 0.01 -0.08 -1.04 113.70 119.74 1sc0 s SER 134 Ca 0.13 0.61 -0.08 0.00 1.31 0.00 0.00 55.95 57.91 1sc0 s SER 134 Cb -0.10 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1sc0 s SER 134 CO 0.03 0.33 0.09 -0.69 0.41 0.00 0.00 173.24 173.41 1sc0 s VAL 135 N -1.14 4.57 0.14 3.43 1.01 0.26 -1.49 120.40 127.16 1sc0 s VAL 135 Ca 0.22 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1sc0 s VAL 135 Cb -0.13 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1sc0 s VAL 135 CO 0.11 0.34 -0.06 0.27 0.00 0.00 0.00 175.10 175.76 1sc0 s ILE 136 N 1.42 0.90 -0.57 2.22 -0.00 -0.87 -4.78 121.20 119.54 1sc0 s ILE 136 Ca 0.06 -2.00 -0.24 0.00 -0.00 0.00 0.00 60.65 58.47 1sc0 s ILE 136 Cb -0.15 -1.87 0.04 0.00 -0.00 0.00 0.00 42.46 40.49 1sc0 s ILE 136 CO 0.05 -0.72 0.95 0.20 -0.00 0.00 0.00 174.94 175.42 1sc0 s ASN 137 N -3.13 6.32 0.00 4.36 0.01 -1.26 -2.61 114.94 118.63 1sc0 s ASN 137 Ca 0.17 -0.41 0.19 0.00 -0.71 0.00 0.00 52.86 52.10 1sc0 s ASN 137 Cb 0.04 -2.44 1.16 0.00 0.41 0.00 0.00 41.25 40.43 1sc0 s ASN 137 CO -0.00 -1.26 1.55 0.00 -1.51 0.00 0.00 177.10 175.88