#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h31 s GLU 2 N 0.00 4.48 -0.09 0.00 2.02 -1.26 -4.38 118.70 119.47 1h31 s GLU 2 Ca 0.00 1.93 -0.30 0.00 0.02 0.00 0.00 54.97 56.62 1h31 s GLU 2 Cb 0.00 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1h31 s GLU 2 CO 0.00 -0.08 1.10 0.08 0.02 0.00 0.00 175.26 176.39 1h31 s VAL 3 N -0.31 4.53 0.56 2.63 1.01 -0.67 -5.00 120.40 123.14 1h31 s VAL 3 Ca 0.52 1.82 -0.17 0.00 0.00 0.00 0.00 61.98 64.15 1h31 s VAL 3 Cb -0.34 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.82 1h31 s VAL 3 CO 0.39 -0.02 1.04 0.00 0.00 0.00 0.00 175.10 176.52 1h31 s ALA 4 N 2.24 2.83 0.30 5.51 0.00 -1.26 -4.88 121.76 126.49 1h31 s ALA 4 Ca 0.52 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 1h31 s ALA 4 Cb -0.21 -3.21 0.68 0.00 0.00 0.00 0.00 23.12 20.37 1h31 s ALA 4 CO 0.19 -0.62 1.57 -1.35 0.00 0.00 0.00 175.76 175.55 1h31 h PRO 5 N 0.71 0.01 0.00 0.00 0.11 -1.96 0.20 132.00 131.07 1h31 h PRO 5 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h31 h PRO 5 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h31 h PRO 5 CO 0.58 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.16 1h31 h GLY 6 N 0.01 0.00 -2.23 -0.55 0.00 -1.91 -2.91 103.07 95.47 1h31 h GLY 6 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1h31 h GLY 6 CO -0.94 0.00 0.00 1.22 0.00 0.00 0.00 176.54 176.82 1h31 n ASP 7 N -2.58 3.37 -4.67 0.19 10.43 0.69 -4.98 116.55 118.99 1h31 n ASP 7 Ca 0.02 -2.00 -0.42 0.00 2.57 0.00 0.00 54.79 54.95 1h31 n ASP 7 Cb 0.28 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 43.03 1h31 n ASP 7 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1h31 s VAL 8 N -1.63 3.92 -0.19 2.53 1.01 -1.10 -4.88 120.40 120.05 1h31 s VAL 8 Ca 0.36 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 1h31 s VAL 8 Cb 0.22 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1h31 s VAL 8 CO 0.31 -0.06 1.25 0.00 0.00 0.00 0.00 175.10 176.61 1h31 s ALA 9 N 3.15 3.62 -0.12 5.51 0.00 -1.26 -5.01 121.76 127.65 1h31 s ALA 9 Ca 0.62 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1h31 s ALA 9 Cb -0.28 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.22 1h31 s ALA 9 CO 0.23 -1.25 -0.13 0.42 0.00 0.00 0.00 175.76 175.03 1h31 s ILE 10 N 3.61 1.36 0.00 0.00 1.01 -1.26 -4.43 121.20 121.49 1h31 s ILE 10 Ca 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1h31 s ILE 10 Cb -0.21 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1h31 s ILE 10 CO 0.15 0.42 0.00 -0.90 0.00 0.00 0.00 174.94 174.61 1h31 n ASP 11 N 4.55 0.00 -0.00 3.58 5.68 -0.62 -4.88 116.55 124.86 1h31 n ASP 11 Ca -0.17 -0.65 0.15 0.00 -0.50 0.00 0.00 54.79 53.62 1h31 n ASP 11 Cb 0.51 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.23 1h31 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h31 n GLY 12 N 5.00 -1.29 0.62 6.12 0.00 -1.26 -2.30 105.19 112.08 1h31 n GLY 12 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1h31 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h31 n GLN 13 N -1.29 1.47 -0.40 1.61 1.13 -1.26 -4.93 117.38 113.71 1h31 n GLN 13 Ca 0.14 -1.36 0.00 0.00 -1.94 0.00 0.00 57.00 53.84 1h31 n GLN 13 Cb 0.25 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1h31 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h31 n GLY 14 N 1.02 0.79 3.84 1.08 0.00 -0.97 -4.44 105.19 106.51 1h31 n GLY 14 Ca 0.09 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1h31 n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h31 s HIS 15 N -2.00 3.65 -0.26 1.61 3.76 -1.26 -4.21 115.29 116.59 1h31 s HIS 15 Ca 0.00 1.11 0.02 0.00 -0.15 0.00 0.00 55.06 56.04 1h31 s HIS 15 Cb 0.00 -2.40 0.05 0.00 1.11 0.00 0.00 32.58 31.35 1h31 s HIS 15 CO 0.00 0.47 -0.10 0.08 -0.85 0.00 0.00 174.74 174.34 1h31 s VAL 16 N -1.38 2.32 -0.30 -0.90 1.01 0.31 -1.58 120.40 119.87 1h31 s VAL 16 Ca 0.36 -1.50 0.23 0.00 0.00 0.00 0.00 61.98 61.06 1h31 s VAL 16 Cb -0.16 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.97 1h31 s VAL 16 CO 0.19 0.02 1.16 0.00 0.00 0.00 0.00 175.10 176.48 1h31 h ALA 17 N 7.83 0.59 -3.22 5.51 0.00 -1.82 -3.39 119.26 124.76 1h31 h ALA 17 Ca -0.23 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.07 1h31 h ALA 17 Cb 1.06 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 1h31 h ALA 17 CO 0.49 0.00 -0.52 0.50 0.00 0.00 0.00 179.25 179.72 1h31 s ARG 18 N -3.32 4.08 0.33 0.00 3.52 -1.26 -4.95 118.95 117.35 1h31 s ARG 18 Ca 0.01 -0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1h31 s ARG 18 Cb 0.09 -3.38 -0.11 0.00 -1.56 0.00 0.00 34.95 30.00 1h31 s ARG 18 CO 0.76 0.22 1.52 -2.14 -0.81 0.00 0.00 175.30 174.86 1h31 s PRO 19 N 0.55 4.13 0.00 5.12 0.02 -1.26 -4.81 135.00 138.75 1h31 s PRO 19 Ca 0.06 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.70 1h31 s PRO 19 Cb -0.12 -3.00 0.43 0.00 0.02 0.00 0.00 34.50 31.82 1h31 s PRO 19 CO 0.00 -0.55 0.84 1.28 -0.33 0.00 0.00 177.00 178.24 1h31 n LEU 20 N 1.29 0.00 0.00 -5.54 4.77 -1.26 -4.72 117.00 111.54 1h31 n LEU 20 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1h31 n LEU 20 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1h31 n LEU 20 CO 0.63 0.00 0.03 1.07 -1.33 0.00 0.00 177.39 177.79 1h31 n THR 21 N -0.88 0.00 -0.00 -5.08 5.66 -1.26 -1.67 114.28 111.04 1h31 n THR 21 Ca 0.05 -0.56 0.01 0.00 -3.05 0.00 0.00 64.05 60.50 1h31 n THR 21 Cb 0.02 0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 69.11 1h31 n THR 21 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1h31 n ASP 22 N -2.17 4.56 -4.51 1.09 8.00 -1.26 -4.87 116.55 117.39 1h31 n ASP 22 Ca 0.01 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.30 1h31 n ASP 22 Cb 0.17 0.96 -0.20 0.00 -0.02 0.00 0.00 41.12 42.03 1h31 n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h31 n ALA 23 N -1.69 0.99 -1.68 2.24 0.00 -1.26 -4.81 120.51 114.29 1h31 n ALA 23 Ca -0.01 -0.92 -0.59 0.00 0.00 0.00 0.00 53.44 51.92 1h31 n ALA 23 Cb 0.17 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.99 1h31 n ALA 23 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1h31 n PRO 24 N 6.13 0.83 -1.57 0.00 -0.02 -1.26 -4.80 135.00 134.30 1h31 n PRO 24 Ca 0.64 0.30 -0.48 0.00 -2.02 0.00 0.00 63.50 61.94 1h31 n PRO 24 Cb 0.19 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 1h31 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h31 n GLY 25 N 3.68 -0.13 3.48 -1.23 0.00 -1.26 -4.93 105.19 104.79 1h31 n GLY 25 Ca 0.26 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 1h31 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h31 s ASP 26 N -0.16 6.06 0.40 1.61 -1.08 -1.26 -4.86 116.67 117.38 1h31 s ASP 26 Ca 0.71 -0.74 0.07 0.00 -0.52 0.00 0.00 52.55 52.06 1h31 s ASP 26 Cb -0.85 -2.14 0.83 0.00 -1.46 0.00 0.00 42.92 39.30 1h31 s ASP 26 CO 0.54 -0.37 2.05 -0.65 0.52 0.00 0.00 175.17 177.25 1h31 h PRO 27 N 8.57 0.56 0.30 4.34 0.11 -1.85 0.58 132.00 144.61 1h31 h PRO 27 Ca -0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1h31 h PRO 27 Cb 1.13 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1h31 h PRO 27 CO 0.69 0.38 -0.14 0.28 -0.21 0.00 0.00 178.00 179.00 1h31 h VAL 28 N 0.57 0.68 -0.91 3.15 2.07 -1.93 0.41 116.25 120.30 1h31 h VAL 28 Ca 0.15 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.09 1h31 h VAL 28 Cb -0.04 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1h31 h VAL 28 CO -0.03 0.12 0.56 -0.08 0.02 0.00 0.00 177.57 178.17 1h31 h GLU 29 N -0.79 0.96 -0.92 1.57 4.57 -1.85 -1.55 114.58 116.57 1h31 h GLU 29 Ca -0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1h31 h GLU 29 Cb 0.51 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1h31 h GLU 29 CO 0.07 0.64 0.56 0.78 -1.18 0.00 0.00 179.01 179.87 1h31 h GLY 30 N 0.99 1.34 1.11 1.92 0.00 -0.67 -0.23 103.07 107.53 1h31 h GLY 30 Ca 0.41 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1h31 h GLY 30 CO -0.20 0.54 0.58 -0.09 0.00 0.00 0.00 176.54 177.37 1h31 h ARG 31 N 1.27 1.20 0.84 4.80 2.43 0.09 -2.68 114.38 122.34 1h31 h ARG 31 Ca 0.33 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1h31 h ARG 31 Cb -0.05 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 29.24 1h31 h ARG 31 CO -0.06 0.81 -0.41 0.00 -1.51 0.00 0.00 179.97 178.80 1h31 h ARG 32 N 1.23 -1.09 -0.33 0.20 3.08 -0.65 -3.19 114.38 113.62 1h31 h ARG 32 Ca 0.33 0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.55 1h31 h ARG 32 Cb -0.11 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1h31 h ARG 32 CO -0.07 -0.73 0.65 -0.07 -1.07 0.00 0.00 179.97 178.68 1h31 h LEU 33 N -1.28 0.00 -0.11 3.04 3.38 -0.82 0.90 115.31 120.42 1h31 h LEU 33 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1h31 h LEU 33 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1h31 h LEU 33 CO 0.19 0.00 -0.09 0.23 0.09 0.00 0.00 178.44 178.86 1h31 n MET 34 N -3.16 0.46 0.00 1.13 2.81 -1.13 -2.97 117.12 114.25 1h31 n MET 34 Ca 0.06 -0.11 0.06 0.00 -1.81 0.00 0.00 57.70 55.90 1h31 n MET 34 Cb 0.78 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.78 1h31 n MET 34 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h31 n THR 35 N -1.18 0.00 -2.83 2.03 -2.24 0.31 -2.50 114.28 107.88 1h31 n THR 35 Ca 0.13 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1h31 n THR 35 Cb 0.28 1.12 -0.04 0.00 -2.10 0.00 0.00 70.33 69.60 1h31 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h31 s ASP 36 N -1.60 6.86 0.57 3.42 -1.08 -1.18 -4.87 116.67 118.80 1h31 s ASP 36 Ca 0.09 1.04 0.35 0.00 -0.52 0.00 0.00 52.55 53.51 1h31 s ASP 36 Cb 0.09 -2.46 1.61 0.00 -1.46 0.00 0.00 42.92 40.71 1h31 s ASP 36 CO 0.32 -0.60 2.08 -0.09 0.52 0.00 0.00 175.17 177.41 1h31 h ARG 37 N 7.75 0.00 0.00 4.34 2.43 -1.92 0.41 114.38 127.39 1h31 h ARG 37 Ca -0.22 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1h31 h ARG 37 Cb 1.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1h31 h ARG 37 CO 0.91 0.03 -0.03 0.77 -1.51 0.00 0.00 179.97 180.15 1h31 h SER 38 N 0.00 0.00 0.00 -3.80 0.02 -1.94 -3.40 113.55 104.43 1h31 h SER 38 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1h31 h SER 38 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1h31 h SER 38 CO 0.00 0.03 0.00 0.52 -1.14 0.00 0.00 176.83 176.24 1h31 n VAL 39 N -3.11 0.00 -0.06 2.27 0.31 -1.15 -4.96 118.33 111.63 1h31 n VAL 39 Ca 0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.16 1h31 n VAL 39 Cb 0.53 -0.61 -0.13 0.00 -0.91 0.00 0.00 33.84 32.73 1h31 n VAL 39 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1h31 h GLY 40 N 0.00 0.10 -2.85 2.92 0.00 -1.43 -3.46 103.07 98.35 1h31 h GLY 40 Ca 0.00 -0.25 -0.39 0.00 0.00 0.00 0.00 47.33 46.69 1h31 h GLY 40 CO 0.00 0.22 -0.48 -2.01 0.00 0.00 0.00 176.54 174.28 1h31 n ASN 41 N -4.24 -5.49 -0.36 0.19 4.05 0.14 -4.88 115.26 104.67 1h31 n ASN 41 Ca -0.27 0.09 0.07 0.00 0.45 0.00 0.00 54.58 54.92 1h31 n ASN 41 Cb 0.74 -4.62 0.23 0.00 1.23 0.00 0.00 39.78 37.36 1h31 n ASN 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1h31 n ILE 43 N -4.62 0.04 0.21 0.00 -0.00 -1.04 -1.36 119.36 112.58 1h31 n ILE 43 Ca 0.19 0.01 0.06 0.00 -0.00 0.00 0.00 62.75 63.01 1h31 n ILE 43 Cb 0.34 -0.63 0.45 0.00 -0.00 0.00 0.00 39.64 39.80 1h31 n ILE 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h31 h ALA 44 N 3.45 1.25 0.00 -1.28 0.00 -1.75 0.40 119.26 121.33 1h31 h ALA 44 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1h31 h ALA 44 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h31 h ALA 44 CO 0.00 0.38 -1.29 0.00 0.00 0.00 0.00 179.25 178.34 1h31 s HIS 46 N -2.33 2.46 0.04 0.00 3.76 -0.47 -0.92 115.29 117.83 1h31 s HIS 46 Ca -0.02 -0.67 -0.19 0.00 -0.15 0.00 0.00 55.06 54.03 1h31 s HIS 46 Cb 0.03 -1.60 -0.06 0.00 1.11 0.00 0.00 32.58 32.06 1h31 s HIS 46 CO 0.24 -0.18 0.54 -1.21 -0.85 0.00 0.00 174.74 173.27 1h31 s GLU 47 N -0.21 4.18 -0.14 1.40 2.02 -1.24 -4.14 118.70 120.57 1h31 s GLU 47 Ca -0.02 0.67 -0.01 0.00 0.02 0.00 0.00 54.97 55.63 1h31 s GLU 47 Cb -0.13 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 30.87 1h31 s GLU 47 CO 0.03 0.58 -0.04 0.08 0.02 0.00 0.00 175.26 175.93 1h31 s VAL 48 N -0.87 0.94 0.06 2.63 1.01 -1.26 -1.25 120.40 121.67 1h31 s VAL 48 Ca 0.28 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1h31 s VAL 48 Cb -0.19 -1.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.97 1h31 s VAL 48 CO 0.17 0.17 1.49 0.71 0.00 0.00 0.00 175.10 177.64 1h31 h THR 49 N 6.34 1.26 0.00 3.92 1.35 -1.97 -1.67 112.91 122.13 1h31 h THR 49 Ca -0.24 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1h31 h THR 49 Cb 1.12 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1h31 h THR 49 CO 0.38 0.26 0.62 -0.08 -0.25 0.00 0.00 175.52 176.45 1h31 h GLU 50 N 0.05 0.00 -3.07 4.72 4.22 -2.02 -2.32 114.58 116.15 1h31 h GLU 50 Ca 0.05 0.00 -0.78 0.00 0.08 0.00 0.00 59.36 58.71 1h31 h GLU 50 Cb 0.40 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.44 1h31 h GLU 50 CO 0.01 0.00 1.50 -1.33 -2.18 0.00 0.00 179.01 177.01 1h31 n MET 51 N -2.64 4.21 0.26 1.92 2.81 -0.63 -4.75 117.12 118.30 1h31 n MET 51 Ca -0.01 -4.02 0.15 0.00 -1.81 0.00 0.00 57.70 52.01 1h31 n MET 51 Cb 0.64 -2.69 0.55 0.00 -0.71 0.00 0.00 33.22 31.01 1h31 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1h31 h ALA 52 N 5.37 1.00 -0.06 3.04 0.00 -1.62 0.13 119.26 127.12 1h31 h ALA 52 Ca 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1h31 h ALA 52 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h31 h ALA 52 CO 1.47 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 180.54 1h31 n ASP 53 N -3.16 0.97 0.00 0.00 9.92 -1.26 -4.51 116.55 118.50 1h31 n ASP 53 Ca 0.01 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.80 1h31 n ASP 53 Cb 0.37 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1h31 n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h31 n ALA 54 N -0.19 -0.12 -0.16 2.24 0.00 0.46 -5.03 120.51 117.72 1h31 n ALA 54 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1h31 n ALA 54 Cb 0.24 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1h31 n ALA 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1h31 n GLN 55 N -1.24 0.00 -3.77 0.00 7.27 -1.26 -4.91 117.38 113.47 1h31 n GLN 55 Ca 0.00 0.11 -0.28 0.00 0.07 0.00 0.00 57.00 56.90 1h31 n GLN 55 Cb 0.00 -0.05 0.02 0.00 2.41 0.00 0.00 30.24 32.62 1h31 n GLN 55 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1h31 n PHE 56 N 2.36 -1.83 -2.44 3.69 3.72 -1.26 -4.93 117.46 116.78 1h31 n PHE 56 Ca 0.00 0.60 -0.36 0.00 -0.05 0.00 0.00 57.45 57.64 1h31 n PHE 56 Cb 0.00 -3.68 -0.03 0.00 -0.94 0.00 0.00 39.48 34.83 1h31 n PHE 56 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1h31 s PRO 57 N -6.16 3.93 0.99 -1.08 0.04 -1.26 -4.82 135.00 126.65 1h31 s PRO 57 Ca 0.25 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 1h31 s PRO 57 Cb -0.09 -2.39 0.20 0.00 0.04 0.00 0.00 34.50 32.26 1h31 s PRO 57 CO 0.86 -0.36 1.23 0.20 0.04 0.00 0.00 177.00 178.98 1h31 s GLY 58 N -1.59 1.68 -0.07 0.56 0.00 0.14 -4.83 107.32 103.22 1h31 s GLY 58 Ca 0.62 -0.98 0.10 0.00 0.00 0.00 0.00 44.72 44.46 1h31 s GLY 58 CO 0.28 -0.25 1.04 -1.30 0.00 0.00 0.00 173.10 172.88 1h31 n THR 59 N -3.95 1.08 -0.06 0.90 -2.24 -1.24 -3.67 114.28 105.12 1h31 n THR 59 Ca 0.13 -1.28 -0.09 0.00 -2.27 0.00 0.00 64.05 60.54 1h31 n THR 59 Cb 0.60 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 1h31 n THR 59 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1h31 h VAL 60 N 2.37 1.08 -4.50 2.28 2.07 -1.74 -3.45 116.25 114.37 1h31 h VAL 60 Ca 0.00 -1.78 -0.47 0.00 0.82 0.00 0.00 66.70 65.26 1h31 h VAL 60 Cb 1.07 2.04 0.09 0.00 -1.52 0.00 0.00 31.29 32.97 1h31 h VAL 60 CO 0.00 0.36 0.39 -0.83 0.02 0.00 0.00 177.57 177.52 1h31 s GLY 61 N -3.92 1.61 0.78 2.17 0.00 -0.10 -5.04 107.32 102.82 1h31 s GLY 61 Ca -0.12 -0.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 1h31 s GLY 61 CO 0.42 -0.15 1.09 2.56 0.00 0.00 0.00 173.10 177.03 1h31 s PRO 62 N -5.49 2.23 0.20 2.90 0.04 -1.26 -4.67 135.00 128.95 1h31 s PRO 62 Ca 0.61 0.66 -0.33 0.00 0.04 0.00 0.00 61.00 61.98 1h31 s PRO 62 Cb -0.11 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 1h31 s PRO 62 CO 0.49 -1.52 1.37 0.45 0.04 0.00 0.00 177.00 177.83 1h31 n SER 63 N -3.37 2.35 -0.07 6.66 2.88 -1.26 -4.32 113.62 116.50 1h31 n SER 63 Ca 0.07 1.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.88 1h31 n SER 63 Cb 0.56 -1.35 0.59 0.00 -0.75 0.00 0.00 64.21 63.26 1h31 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1h31 n LEU 64 N 2.36 0.33 -4.62 2.46 4.77 -0.38 -4.88 117.00 117.04 1h31 n LEU 64 Ca 0.14 0.13 -0.56 0.00 -0.03 0.00 0.00 56.01 55.68 1h31 n LEU 64 Cb 0.28 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1h31 n LEU 64 CO 0.62 0.07 0.98 0.47 -1.33 0.00 0.00 177.39 178.20 1h31 n ASP 65 N -1.15 1.51 0.00 -1.43 8.00 -1.26 -1.30 116.55 120.91 1h31 n ASP 65 Ca 0.12 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1h31 n ASP 65 Cb 0.29 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1h31 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h31 n GLY 66 N 2.94 0.47 0.33 0.44 0.00 -1.06 -4.89 105.19 103.42 1h31 n GLY 66 Ca 0.22 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.41 1h31 n GLY 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1h31 h VAL 67 N 0.00 0.55 0.00 1.61 3.04 -0.90 0.32 116.25 120.86 1h31 h VAL 67 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1h31 h VAL 67 Cb 0.20 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1h31 h VAL 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1h31 h ALA 68 N 1.79 1.00 0.00 3.17 0.00 -1.45 -0.93 119.26 122.85 1h31 h ALA 68 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1h31 h ALA 68 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1h31 h ALA 68 CO -0.00 0.00 -1.07 0.00 0.00 0.00 0.00 179.25 178.17 1h31 h ALA 69 N 2.29 0.64 0.00 0.00 0.00 -1.06 -3.39 119.26 117.73 1h31 h ALA 69 Ca 0.00 -0.54 -0.37 0.00 0.00 0.00 0.00 54.91 54.00 1h31 h ALA 69 Cb 0.83 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1h31 h ALA 69 CO 0.00 0.61 -2.39 2.89 0.00 0.00 0.00 179.25 180.36 1h31 n ARG 70 N -2.92 0.72 -4.84 0.00 1.85 -1.02 -4.97 116.66 105.48 1h31 n ARG 70 Ca -0.05 0.03 -0.32 0.00 -1.00 0.00 0.00 57.85 56.52 1h31 n ARG 70 Cb 0.74 -1.51 -0.13 0.00 -1.05 0.00 0.00 32.46 30.51 1h31 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1h31 s TYR 71 N -2.49 2.62 0.79 2.89 2.02 -0.37 -5.12 117.35 117.70 1h31 s TYR 71 Ca -0.16 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 1h31 s TYR 71 Cb 0.07 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 40.13 1h31 s TYR 71 CO 0.76 0.19 1.09 -1.25 -1.57 0.00 0.00 175.55 174.78 1h31 s PRO 72 N -0.99 2.16 0.38 -1.71 0.04 -1.26 -4.58 135.00 129.04 1h31 s PRO 72 Ca 0.13 0.67 0.10 0.00 0.04 0.00 0.00 61.00 61.94 1h31 s PRO 72 Cb -0.11 -1.92 0.87 0.00 0.04 0.00 0.00 34.50 33.38 1h31 s PRO 72 CO 0.02 -1.57 1.91 1.49 0.04 0.00 0.00 177.00 178.89 1h31 h GLU 73 N -1.05 0.60 0.00 4.56 4.81 -1.97 -1.87 114.58 119.67 1h31 h GLU 73 Ca -0.47 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 1h31 h GLU 73 Cb 1.26 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1h31 h GLU 73 CO 0.59 0.40 -0.51 0.00 -0.73 0.00 0.00 179.01 178.76 1h31 h ALA 74 N 1.62 1.04 0.02 2.92 0.00 -1.92 -0.40 119.26 122.54 1h31 h ALA 74 Ca 0.38 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1h31 h ALA 74 Cb 0.63 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1h31 h ALA 74 CO -0.15 0.63 -0.70 1.98 0.00 0.00 0.00 179.25 181.02 1h31 h MET 75 N 0.00 0.43 -0.72 0.00 1.85 -1.63 0.11 114.93 114.98 1h31 h MET 75 Ca -0.01 -0.50 0.05 0.00 -0.61 0.00 0.00 59.70 58.63 1h31 h MET 75 Cb 0.97 0.15 -0.05 0.00 0.43 0.00 0.00 31.60 33.10 1h31 h MET 75 CO 0.07 1.15 0.43 0.82 -0.40 0.00 0.00 176.91 178.98 1h31 h ILE 76 N -0.07 1.04 -0.51 1.77 2.04 -1.27 -0.78 117.51 119.73 1h31 h ILE 76 Ca -0.09 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1h31 h ILE 76 Cb 1.42 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1h31 h ILE 76 CO 0.14 0.15 0.17 -0.09 0.00 0.00 0.00 178.15 178.51 1h31 h ARG 77 N 0.82 0.76 -0.78 2.37 2.43 -1.12 -2.44 114.38 116.42 1h31 h ARG 77 Ca 0.30 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1h31 h ARG 77 Cb 0.10 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1h31 h ARG 77 CO -0.14 0.65 0.31 0.78 -1.51 0.00 0.00 179.97 180.06 1h31 h GLY 78 N 0.91 1.25 2.00 2.80 0.00 -0.50 -1.52 103.07 108.01 1h31 h GLY 78 Ca 0.17 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1h31 h GLY 78 CO -0.01 0.64 -0.12 -2.22 0.00 0.00 0.00 176.54 174.83 1h31 h ILE 79 N 1.14 0.90 0.00 2.60 2.04 -0.68 0.07 117.51 123.58 1h31 h ILE 79 Ca 0.26 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1h31 h ILE 79 Cb 0.22 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1h31 h ILE 79 CO -0.02 0.12 -1.56 0.18 0.00 0.00 0.00 178.15 176.87 1h31 n LEU 80 N -4.12 0.45 -0.01 1.44 4.77 -1.02 -1.92 117.00 116.58 1h31 n LEU 80 Ca -0.02 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 1h31 n LEU 80 Cb 0.20 0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1h31 n LEU 80 CO 0.33 -0.02 0.38 0.58 -1.33 0.00 0.00 177.39 177.33 1h31 h VAL 81 N 0.00 1.17 -1.13 4.08 2.07 -0.52 -2.91 116.25 119.01 1h31 h VAL 81 Ca -0.06 -1.57 -0.12 0.00 0.82 0.00 0.00 66.70 65.78 1h31 h VAL 81 Cb 1.16 2.08 -0.20 0.00 -1.52 0.00 0.00 31.29 32.81 1h31 h VAL 81 CO 0.01 0.35 -0.49 0.21 0.02 0.00 0.00 177.57 177.66 1h31 s ASN 82 N -5.79 -1.18 0.52 0.57 3.84 -0.06 -1.52 114.94 111.32 1h31 s ASN 82 Ca -0.14 -1.06 0.39 0.00 0.21 0.00 0.00 52.86 52.26 1h31 s ASN 82 Cb -0.01 1.77 1.57 0.00 -0.55 0.00 0.00 41.25 44.02 1h31 s ASN 82 CO 0.52 -0.16 1.71 0.77 -2.79 0.00 0.00 177.10 177.15 1h31 h SER 83 N 6.66 0.06 0.55 -4.21 4.64 -1.47 0.66 113.55 120.44 1h31 h SER 83 Ca 0.06 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1h31 h SER 83 Cb 1.15 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1h31 h SER 83 CO 0.10 -0.02 -0.15 0.11 -0.87 0.00 0.00 176.83 176.01 1h31 h LYS 84 N 0.04 0.00 0.00 4.77 6.56 -1.85 0.51 116.57 126.60 1h31 h LYS 84 Ca 0.72 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.28 1h31 h LYS 84 Cb 2.74 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 34.40 1h31 h LYS 84 CO -0.08 0.15 -0.15 -0.91 -2.06 0.00 0.00 179.45 176.39 1h31 h ASN 85 N 0.00 0.00 0.00 0.86 2.35 -1.20 -3.00 115.58 114.59 1h31 h ASN 85 Ca -0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 1h31 h ASN 85 Cb 0.46 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 1h31 h ASN 85 CO 0.02 0.15 -2.05 0.52 -1.65 0.00 0.00 177.43 174.42 1h31 n VAL 86 N -3.57 1.04 -3.93 2.81 0.31 -0.27 -4.08 118.33 110.65 1h31 n VAL 86 Ca -0.01 -0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 63.71 1h31 n VAL 86 Cb 0.29 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 31.57 1h31 n VAL 86 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1h31 s PHE 87 N -2.35 3.28 0.46 3.52 0.08 0.16 -5.04 117.98 118.09 1h31 s PHE 87 Ca -0.26 -3.22 -0.23 0.00 0.12 0.00 0.00 56.93 53.35 1h31 s PHE 87 Cb 0.09 -2.76 -0.10 0.00 -0.57 0.00 0.00 43.02 39.68 1h31 s PHE 87 CO 0.36 -0.68 0.94 -2.30 -0.10 0.00 0.00 175.22 173.45 1h31 n PRO 88 N 2.72 1.18 -0.92 0.24 -0.02 -1.13 -1.99 135.00 135.07 1h31 n PRO 88 Ca 0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1h31 n PRO 88 Cb 0.33 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1h31 n PRO 88 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1h31 n GLU 89 N -0.00 -0.12 -1.98 -0.52 1.02 -1.26 -4.96 120.64 112.82 1h31 n GLU 89 Ca 0.10 0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.93 1h31 n GLU 89 Cb 0.41 -3.07 0.03 0.00 -0.02 0.00 0.00 31.44 28.79 1h31 n GLU 89 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1h31 s THR 90 N -2.90 2.92 -0.91 2.62 -1.32 -0.84 -4.94 115.64 110.27 1h31 s THR 90 Ca 0.00 0.53 0.27 0.00 -1.21 0.00 0.00 61.69 61.28 1h31 s THR 90 Cb 0.00 -3.14 0.20 0.00 -1.51 0.00 0.00 72.50 68.05 1h31 s THR 90 CO 0.00 -0.17 1.76 1.33 -2.21 0.00 0.00 174.62 175.33 1h31 n VAL 91 N -1.81 0.17 -1.96 5.08 0.24 -1.26 -4.85 118.33 113.94 1h31 n VAL 91 Ca 0.12 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1h31 n VAL 91 Cb 0.51 -0.37 -0.03 0.00 -1.47 0.00 0.00 33.84 32.48 1h31 n VAL 91 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1h31 s MET 92 N -3.04 4.21 0.57 7.34 -2.45 -1.26 -4.95 119.30 119.73 1h31 s MET 92 Ca 0.12 2.29 -0.20 0.00 -1.25 0.00 0.00 55.69 56.65 1h31 s MET 92 Cb 0.17 -3.56 -0.05 0.00 1.25 0.00 0.00 34.83 32.64 1h31 s MET 92 CO 0.59 -0.70 1.17 -2.30 1.05 0.00 0.00 175.02 174.82 1h31 n PRO 93 N 5.45 1.27 -2.83 4.11 -0.02 -1.26 -4.72 135.00 137.00 1h31 n PRO 93 Ca 0.15 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1h31 n PRO 93 Cb 0.41 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1h31 n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h31 s ALA 94 N -1.38 3.48 -1.49 3.55 0.00 -1.26 -4.44 121.76 120.21 1h31 s ALA 94 Ca 0.74 -0.35 0.24 0.00 0.00 0.00 0.00 51.96 52.59 1h31 s ALA 94 Cb -0.42 -3.47 0.36 0.00 0.00 0.00 0.00 23.12 19.59 1h31 s ALA 94 CO 0.48 -1.41 1.31 0.66 0.00 0.00 0.00 175.76 176.80 1h31 n TYR 95 N 6.55 0.00 -2.14 0.00 4.01 -1.10 -3.93 117.16 120.55 1h31 n TYR 95 Ca 0.07 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.86 1h31 n TYR 95 Cb 0.48 -0.11 0.09 0.00 -0.31 0.00 0.00 39.34 39.49 1h31 n TYR 95 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1h31 n TYR 96 N -0.88 0.00 -3.86 -0.72 9.36 -0.58 -2.16 117.16 118.32 1h31 n TYR 96 Ca 0.08 -0.89 -0.36 0.00 3.32 0.00 0.00 57.90 60.06 1h31 n TYR 96 Cb 0.37 -0.19 -0.06 0.00 -0.63 0.00 0.00 39.34 38.83 1h31 n TYR 96 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1h31 s ARG 97 N -1.28 3.47 -0.11 2.98 1.81 -1.24 -4.67 118.95 119.91 1h31 s ARG 97 Ca 0.35 -0.14 0.16 0.00 -1.72 0.00 0.00 55.73 54.38 1h31 s ARG 97 Cb 0.38 -3.17 0.24 0.00 -0.45 0.00 0.00 34.95 31.95 1h31 s ARG 97 CO -0.13 0.75 1.12 1.33 -0.68 0.00 0.00 175.30 177.69 1h31 n VAL 98 N 1.74 1.69 -3.95 3.52 0.24 -1.26 -4.57 118.33 115.74 1h31 n VAL 98 Ca -0.18 -2.00 -0.10 0.00 -2.04 0.00 0.00 64.34 60.03 1h31 n VAL 98 Cb 0.54 -0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.70 1h31 n VAL 98 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1h31 s GLU 99 N -2.50 0.37 -0.18 7.34 2.02 -1.26 -4.72 118.70 119.76 1h31 s GLU 99 Ca 0.26 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1h31 s GLU 99 Cb 0.23 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1h31 s GLU 99 CO 0.02 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1h31 n GLY 100 N 1.53 0.52 3.89 -1.39 0.00 -1.26 -5.01 105.19 103.47 1h31 n GLY 100 Ca -0.23 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1h31 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h31 s PHE 101 N -2.06 3.23 -0.27 1.61 0.08 -1.26 -5.06 117.98 114.26 1h31 s PHE 101 Ca 0.00 0.91 0.03 0.00 0.12 0.00 0.00 56.93 57.99 1h31 s PHE 101 Cb 0.00 -3.11 0.06 0.00 -0.57 0.00 0.00 43.02 39.41 1h31 s PHE 101 CO 0.00 -1.25 -0.09 1.21 -0.10 0.00 0.00 175.22 174.99 1h31 s ASN 102 N -4.40 4.42 -1.13 1.36 3.84 -1.26 -4.72 114.94 113.06 1h31 s ASN 102 Ca 0.58 -1.45 -0.07 0.00 0.21 0.00 0.00 52.86 52.13 1h31 s ASN 102 Cb -0.11 -1.52 -0.04 0.00 -0.55 0.00 0.00 41.25 39.03 1h31 s ASN 102 CO 0.50 -0.21 0.88 0.54 -2.79 0.00 0.00 177.10 176.02 1h31 n ARG 103 N 4.44 -3.23 -2.56 0.43 1.74 -1.26 -4.95 116.66 111.27 1h31 n ARG 103 Ca -0.12 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1h31 n ARG 103 Cb 0.42 -5.45 -0.04 0.00 -1.02 0.00 0.00 32.46 26.37 1h31 n ARG 103 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h31 s PRO 104 N -5.06 4.55 0.49 5.56 0.04 -1.26 -5.00 135.00 134.31 1h31 s PRO 104 Ca 0.32 1.63 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1h31 s PRO 104 Cb -0.06 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.14 1h31 s PRO 104 CO 0.77 -0.04 0.39 0.20 0.04 0.00 0.00 177.00 178.36 1h31 s GLY 105 N 0.52 2.24 -0.41 0.56 0.00 -1.26 -1.53 107.32 107.45 1h31 s GLY 105 Ca 0.53 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.33 1h31 s GLY 105 CO 0.31 -1.84 1.05 -0.42 0.00 0.00 0.00 173.10 172.20 1h31 s ILE 106 N -2.64 4.41 0.00 0.90 1.01 0.12 -4.61 121.20 120.39 1h31 s ILE 106 Ca 0.42 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1h31 s ILE 106 Cb -0.02 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1h31 s ILE 106 CO 0.25 -0.73 0.00 0.00 0.00 0.00 0.00 174.94 174.45 1h31 n ALA 107 N 7.25 0.00 -2.00 9.38 0.00 -1.26 -0.60 120.51 133.27 1h31 n ALA 107 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1h31 n ALA 107 Cb 0.48 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 1h31 n ALA 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h31 n PHE 108 N 12.09 1.97 0.30 0.00 3.72 -1.26 -4.71 117.46 129.55 1h31 n PHE 108 Ca 0.00 -2.01 0.11 0.00 -0.05 0.00 0.00 57.45 55.50 1h31 n PHE 108 Cb 0.00 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.24 1h31 n PHE 108 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1h31 n THR 109 N -0.76 0.36 -0.80 4.37 -2.24 0.23 -4.95 114.28 110.49 1h31 n THR 109 Ca 0.35 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1h31 n THR 109 Cb 0.90 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1h31 n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h31 n SER 110 N -2.32 0.00 -4.84 3.42 7.64 -1.26 -5.00 113.62 111.25 1h31 n SER 110 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1h31 n SER 110 Cb 0.50 -0.15 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 1h31 n SER 110 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h31 s LYS 111 N -0.05 4.00 0.31 1.43 -0.14 -1.26 -4.89 119.74 119.14 1h31 s LYS 111 Ca 0.00 0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 54.83 1h31 s LYS 111 Cb 0.00 -3.01 -0.10 0.00 -1.68 0.00 0.00 37.83 33.04 1h31 s LYS 111 CO 0.00 0.53 1.41 -2.14 -0.76 0.00 0.00 175.35 174.39 1h31 s PRO 112 N -1.74 4.25 -0.02 -1.68 0.02 -1.26 0.13 135.00 134.70 1h31 s PRO 112 Ca 0.35 2.35 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 1h31 s PRO 112 Cb -0.16 -3.06 -0.07 0.00 0.02 0.00 0.00 34.50 31.24 1h31 s PRO 112 CO 0.19 -0.38 1.72 0.42 -0.33 0.00 0.00 177.00 178.62 1h31 s ILE 113 N -0.66 3.40 -0.30 2.83 1.01 -0.58 -4.62 121.20 122.27 1h31 s ILE 113 Ca 0.54 0.53 -0.09 0.00 0.00 0.00 0.00 60.65 61.64 1h31 s ILE 113 Cb -0.43 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 1h31 s ILE 113 CO 0.51 -0.04 0.13 -1.61 0.00 0.00 0.00 174.94 173.94 1h31 s GLU 114 N 3.96 3.35 0.00 2.79 2.02 -1.26 -5.01 118.70 124.54 1h31 s GLU 114 Ca 0.77 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1h31 s GLU 114 Cb -0.36 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.35 1h31 s GLU 114 CO 0.32 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1h31 n GLY 115 N 4.96 -0.33 3.66 -1.39 0.00 -1.26 -4.97 105.19 105.87 1h31 n GLY 115 Ca -0.14 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.32 1h31 n GLY 115 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h31 n GLU 116 N 0.00 2.04 -2.69 1.61 1.02 -1.26 -4.95 120.64 116.41 1h31 n GLU 116 Ca 0.00 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.45 1h31 n GLU 116 Cb 0.00 -2.51 -0.02 0.00 -0.02 0.00 0.00 31.44 28.89 1h31 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1h31 s ILE 117 N 1.54 4.73 0.19 -3.67 1.01 -1.26 -5.04 121.20 118.70 1h31 s ILE 117 Ca 0.82 1.99 -0.17 0.00 0.00 0.00 0.00 60.65 63.30 1h31 s ILE 117 Cb -0.71 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 37.39 1h31 s ILE 117 CO 0.42 -0.10 0.63 -0.13 0.00 0.00 0.00 174.94 175.76 1h31 s ARG 118 N 2.70 4.10 0.74 2.79 0.52 -1.26 -4.81 118.95 123.73 1h31 s ARG 118 Ca 0.45 0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 56.17 1h31 s ARG 118 Cb -0.16 -2.89 0.05 0.00 0.52 0.00 0.00 34.95 32.46 1h31 s ARG 118 CO 0.11 0.43 1.20 -1.25 0.02 0.00 0.00 175.30 175.81 1h31 s PRO 119 N -2.00 2.07 0.55 3.54 0.04 -1.26 -4.88 135.00 133.05 1h31 s PRO 119 Ca 0.41 1.73 0.24 0.00 0.04 0.00 0.00 61.00 63.42 1h31 s PRO 119 Cb -0.15 -1.83 1.46 0.00 0.04 0.00 0.00 34.50 34.01 1h31 s PRO 119 CO 0.20 -1.88 2.09 -0.07 0.04 0.00 0.00 177.00 177.38 1h31 h LEU 120 N -0.41 0.00 -7.78 -3.56 3.38 -1.77 -3.42 115.31 101.75 1h31 h LEU 120 Ca -0.47 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.36 1h31 h LEU 120 Cb 1.29 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.84 1h31 h LEU 120 CO 0.49 0.00 -0.50 -0.04 0.09 0.00 0.00 178.44 178.48 1h31 s MET 121 N -4.90 0.50 0.61 1.13 -1.94 -0.92 -4.85 119.30 108.94 1h31 s MET 121 Ca -0.05 -0.46 -0.08 0.00 -1.71 0.00 0.00 55.69 53.39 1h31 s MET 121 Cb 0.17 0.20 0.00 0.00 2.01 0.00 0.00 34.83 37.22 1h31 s MET 121 CO 0.65 -0.12 0.95 0.95 -0.01 0.00 0.00 175.02 177.44 1h31 s THR 122 N -1.58 3.80 0.24 2.05 -4.23 -1.26 -4.70 115.64 109.94 1h31 s THR 122 Ca -0.13 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.54 1h31 s THR 122 Cb -0.07 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.44 1h31 s THR 122 CO 0.01 -0.59 1.76 0.00 -0.54 0.00 0.00 174.62 175.26 1h31 h ALA 123 N -0.28 1.04 -0.82 3.99 0.00 -1.90 0.64 119.26 121.94 1h31 h ALA 123 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h31 h ALA 123 Cb 1.25 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1h31 h ALA 123 CO 0.62 -0.10 0.53 0.78 0.00 0.00 0.00 179.25 181.08 1h31 h GLY 124 N 0.56 1.16 1.47 0.00 0.00 -1.92 0.57 103.07 104.91 1h31 h GLY 124 Ca 0.38 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 1h31 h GLY 124 CO -0.32 0.44 -0.59 1.46 0.00 0.00 0.00 176.54 177.53 1h31 h GLN 125 N 1.11 0.55 -0.39 4.80 4.20 -1.66 -1.39 115.11 122.33 1h31 h GLN 125 Ca 0.30 -0.36 -0.15 0.00 0.06 0.00 0.00 58.65 58.49 1h31 h GLN 125 Cb -0.10 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1h31 h GLN 125 CO -0.06 0.98 -0.35 0.82 -0.67 0.00 0.00 178.83 179.55 1h31 h ILE 126 N 0.41 1.27 -0.43 2.54 2.04 -0.60 -1.76 117.51 120.98 1h31 h ILE 126 Ca -0.00 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.23 1h31 h ILE 126 Cb 1.15 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1h31 h ILE 126 CO 0.11 0.51 -0.18 -0.33 0.00 0.00 0.00 178.15 178.25 1h31 h GLU 127 N 0.74 0.88 -0.63 2.37 4.39 -0.81 0.02 114.58 121.53 1h31 h GLU 127 Ca 0.07 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1h31 h GLU 127 Cb 0.92 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1h31 h GLU 127 CO 0.09 1.02 0.41 -0.44 -1.16 0.00 0.00 179.01 178.93 1h31 h ASP 128 N 0.70 0.73 -0.06 1.42 3.32 -1.16 0.13 116.42 121.49 1h31 h ASP 128 Ca 0.10 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.91 1h31 h ASP 128 Cb 0.74 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1h31 h ASP 128 CO 0.06 0.54 -0.79 0.58 -1.72 0.00 0.00 179.24 177.91 1h31 h VAL 129 N 0.86 1.32 -0.63 -1.35 2.07 -1.08 -2.32 116.25 115.12 1h31 h VAL 129 Ca 0.23 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.68 1h31 h VAL 129 Cb -0.09 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1h31 h VAL 129 CO -0.05 0.63 0.33 0.58 0.02 0.00 0.00 177.57 179.09 1h31 h VAL 130 N 0.29 1.21 -0.64 2.57 2.07 -0.73 0.15 116.25 121.17 1h31 h VAL 130 Ca -0.08 -0.54 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1h31 h VAL 130 Cb 1.45 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 1h31 h VAL 130 CO 0.16 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.16 1h31 h ALA 131 N 1.15 0.81 0.03 1.67 0.00 -0.73 -0.31 119.26 121.88 1h31 h ALA 131 Ca 0.22 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1h31 h ALA 131 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h31 h ALA 131 CO -0.03 -0.26 -0.02 -0.92 0.00 0.00 0.00 179.25 178.02 1h31 h TYR 132 N 0.33 -0.04 -0.13 0.00 3.20 -0.81 -2.97 116.97 116.55 1h31 h TYR 132 Ca 0.34 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 1h31 h TYR 132 Cb 0.49 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1h31 h TYR 132 CO -0.21 0.20 0.11 -0.07 -1.64 0.00 0.00 178.16 176.55 1h31 h LEU 133 N -0.28 0.00 0.00 2.82 3.38 -0.05 0.25 115.31 121.43 1h31 h LEU 133 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h31 h LEU 133 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1h31 h LEU 133 CO 0.01 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.77 1h31 n MET 134 N -4.11 0.04 0.00 1.13 2.81 -0.19 -1.85 117.12 114.95 1h31 n MET 134 Ca 0.00 0.14 0.14 0.00 -1.81 0.00 0.00 57.70 56.16 1h31 n MET 134 Cb 0.23 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.71 1h31 n MET 134 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1h31 n THR 135 N -1.47 0.00 -2.46 2.03 -2.24 0.88 -4.39 114.28 106.64 1h31 n THR 135 Ca 0.06 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1h31 n THR 135 Cb 0.23 0.53 0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1h31 n THR 135 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h31 n LEU 136 N 0.04 7.45 -0.06 3.22 4.77 -0.77 -4.36 117.00 127.29 1h31 n LEU 136 Ca 0.17 -5.17 0.13 0.00 -0.03 0.00 0.00 56.01 51.11 1h31 n LEU 136 Cb 0.37 -1.26 0.38 0.00 -2.33 0.00 0.00 43.42 40.58 1h31 n LEU 136 CO 0.19 1.98 0.63 0.35 -1.33 0.00 0.00 177.39 179.20 1h31 n THR 137 N 0.83 0.00 -0.55 -5.08 -2.24 -1.26 -1.64 114.28 104.34 1h31 n THR 137 Ca 0.49 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1h31 n THR 137 Cb 0.27 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1h31 n THR 137 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17