#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h33 s GLU 2 N 0.00 2.36 -0.30 0.00 2.02 -1.26 -3.01 118.70 118.52 1h33 s GLU 2 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 54.97 53.90 1h33 s GLU 2 Cb 0.00 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 1h33 s GLU 2 CO 0.00 0.59 1.57 0.08 0.02 0.00 0.00 175.26 177.52 1h33 s VAL 3 N -0.86 3.76 0.71 2.63 1.01 -0.37 -5.01 120.40 122.27 1h33 s VAL 3 Ca 0.14 0.82 -0.15 0.00 0.00 0.00 0.00 61.98 62.79 1h33 s VAL 3 Cb -0.11 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1h33 s VAL 3 CO 0.04 -0.45 1.18 0.00 0.00 0.00 0.00 175.10 175.86 1h33 s ALA 4 N 5.51 2.21 0.21 5.51 0.00 -1.26 -4.86 121.76 129.08 1h33 s ALA 4 Ca 0.69 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 1h33 s ALA 4 Cb -0.21 -3.43 0.22 0.00 0.00 0.00 0.00 23.12 19.71 1h33 s ALA 4 CO 0.30 -1.71 1.58 -1.35 0.00 0.00 0.00 175.76 174.58 1h33 h PRO 5 N -0.22 -0.07 -0.14 0.00 0.11 -1.95 0.11 132.00 129.84 1h33 h PRO 5 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1h33 h PRO 5 Cb 1.28 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1h33 h PRO 5 CO 0.51 -0.05 0.60 0.78 -0.21 0.00 0.00 178.00 179.63 1h33 h GLY 6 N -0.07 0.00 -0.95 -0.55 0.00 -1.92 -3.18 103.07 96.40 1h33 h GLY 6 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1h33 h GLY 6 CO -0.79 0.00 0.00 1.22 0.00 0.00 0.00 176.54 176.97 1h33 n ASP 7 N -2.93 2.10 -4.76 0.19 8.00 0.38 -5.02 116.55 114.52 1h33 n ASP 7 Ca 0.02 -1.56 -0.40 0.00 0.71 0.00 0.00 54.79 53.56 1h33 n ASP 7 Cb 0.67 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.69 1h33 n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h33 s VAL 8 N -0.93 3.24 -0.48 2.53 1.01 -1.21 -4.94 120.40 119.63 1h33 s VAL 8 Ca 0.15 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 1h33 s VAL 8 Cb 0.10 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1h33 s VAL 8 CO 0.14 0.30 0.56 0.00 0.00 0.00 0.00 175.10 176.10 1h33 s ALA 9 N -1.15 3.42 -0.16 5.51 0.00 -1.26 -5.03 121.76 123.08 1h33 s ALA 9 Ca 0.46 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1h33 s ALA 9 Cb -0.34 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1h33 s ALA 9 CO 0.45 -1.88 -0.12 0.42 0.00 0.00 0.00 175.76 174.63 1h33 s ILE 10 N 2.40 2.89 0.00 0.00 1.01 -1.26 -4.24 121.20 122.01 1h33 s ILE 10 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1h33 s ILE 10 Cb -0.19 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1h33 s ILE 10 CO 0.12 0.50 0.00 -0.90 0.00 0.00 0.00 174.94 174.66 1h33 n ASP 11 N 4.11 -0.28 -0.04 3.58 5.68 -0.61 -4.88 116.55 124.12 1h33 n ASP 11 Ca -0.19 -0.71 0.13 0.00 -0.50 0.00 0.00 54.79 53.53 1h33 n ASP 11 Cb 0.52 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.94 1h33 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h33 n GLY 12 N 4.18 -1.23 0.66 6.12 0.00 -1.26 -2.06 105.19 111.60 1h33 n GLY 12 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1h33 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h33 n GLN 13 N -1.34 1.88 -0.67 1.61 1.13 -1.26 -4.94 117.38 113.79 1h33 n GLN 13 Ca 0.08 -1.31 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 1h33 n GLN 13 Cb 0.33 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.23 1h33 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h33 n GLY 14 N 1.22 0.99 3.72 1.08 0.00 -0.87 -4.32 105.19 107.00 1h33 n GLY 14 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1h33 n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h33 s HIS 15 N -3.41 2.03 -0.22 1.61 3.76 -1.26 -4.34 115.29 113.46 1h33 s HIS 15 Ca 0.00 1.66 -0.03 0.00 -0.15 0.00 0.00 55.06 56.53 1h33 s HIS 15 Cb 0.00 -3.33 0.07 0.00 1.11 0.00 0.00 32.58 30.43 1h33 s HIS 15 CO 0.00 -2.47 0.07 0.08 -0.85 0.00 0.00 174.74 171.57 1h33 s VAL 16 N -2.40 0.30 -0.28 -0.90 1.01 -0.35 -1.57 120.40 116.21 1h33 s VAL 16 Ca 0.69 -0.58 0.21 0.00 0.00 0.00 0.00 61.98 62.29 1h33 s VAL 16 Cb -0.24 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.28 1h33 s VAL 16 CO 0.51 -0.37 1.29 0.00 0.00 0.00 0.00 175.10 176.53 1h33 h ALA 17 N 8.30 0.73 -2.90 5.51 0.00 -1.83 -3.39 119.26 125.68 1h33 h ALA 17 Ca -0.16 -0.18 -0.62 0.00 0.00 0.00 0.00 54.91 53.95 1h33 h ALA 17 Cb 1.10 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1h33 h ALA 17 CO 0.36 0.22 -0.71 1.03 0.00 0.00 0.00 179.25 180.15 1h33 s ARG 18 N -3.19 2.10 0.80 0.00 0.52 -1.26 -4.86 118.95 113.06 1h33 s ARG 18 Ca 0.03 -1.28 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 1h33 s ARG 18 Cb 0.07 -2.17 0.08 0.00 0.52 0.00 0.00 34.95 33.46 1h33 s ARG 18 CO 0.74 0.43 1.16 -2.14 0.02 0.00 0.00 175.30 175.51 1h33 s PRO 19 N -2.93 1.80 0.00 3.54 0.02 -1.26 -4.91 135.00 131.26 1h33 s PRO 19 Ca 0.26 1.56 0.28 0.00 0.02 0.00 0.00 61.00 63.12 1h33 s PRO 19 Cb -0.09 -1.81 1.11 0.00 0.02 0.00 0.00 34.50 33.73 1h33 s PRO 19 CO 0.16 -2.05 1.79 1.28 -0.33 0.00 0.00 177.00 177.84 1h33 n LEU 20 N -3.38 0.60 -3.76 -5.54 4.77 -1.26 -4.88 117.00 103.55 1h33 n LEU 20 Ca 0.12 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1h33 n LEU 20 Cb 0.51 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1h33 n LEU 20 CO 0.49 0.11 0.26 0.28 -1.33 0.00 0.00 177.39 177.20 1h33 s THR 21 N -2.49 0.03 -0.53 -5.08 -1.32 -1.26 -1.24 115.64 103.75 1h33 s THR 21 Ca 0.28 -0.84 0.23 0.00 -1.21 0.00 0.00 61.69 60.14 1h33 s THR 21 Cb 0.20 -1.63 -0.07 0.00 -1.51 0.00 0.00 72.50 69.49 1h33 s THR 21 CO 0.49 -0.12 1.06 -0.90 -2.21 0.00 0.00 174.62 172.94 1h33 n ASP 22 N -0.34 0.63 -4.73 8.08 5.75 -1.16 -4.85 116.55 119.93 1h33 n ASP 22 Ca -0.09 -0.05 -0.42 0.00 -0.01 0.00 0.00 54.79 54.22 1h33 n ASP 22 Cb 0.62 0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 41.36 1h33 n ASP 22 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h33 s ALA 23 N -3.23 3.80 0.36 2.12 0.00 -1.26 -4.97 121.76 118.57 1h33 s ALA 23 Ca 0.03 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 1h33 s ALA 23 Cb 0.13 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1h33 s ALA 23 CO 0.79 -0.87 1.25 -1.25 0.00 0.00 0.00 175.76 175.68 1h33 s PRO 24 N 0.51 4.23 0.10 0.00 0.04 -1.26 -4.96 135.00 133.65 1h33 s PRO 24 Ca 0.68 2.07 -0.30 0.00 0.04 0.00 0.00 61.00 63.49 1h33 s PRO 24 Cb -0.46 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1h33 s PRO 24 CO 0.37 -0.24 1.18 0.20 0.04 0.00 0.00 177.00 178.56 1h33 s GLY 25 N -0.73 2.52 -0.44 0.56 0.00 -1.26 -4.91 107.32 103.06 1h33 s GLY 25 Ca 0.52 0.86 -0.19 0.00 0.00 0.00 0.00 44.72 45.91 1h33 s GLY 25 CO 0.47 1.95 0.52 -0.35 0.00 0.00 0.00 173.10 175.70 1h33 s ASP 26 N 0.73 6.24 0.51 1.64 -1.08 -1.26 -4.88 116.67 118.58 1h33 s ASP 26 Ca 0.56 -0.60 0.33 0.00 -0.52 0.00 0.00 52.55 52.33 1h33 s ASP 26 Cb -0.30 -2.26 1.41 0.00 -1.46 0.00 0.00 42.92 40.31 1h33 s ASP 26 CO 0.31 -0.68 1.98 1.55 0.52 0.00 0.00 175.17 178.85 1h33 h PRO 27 N 8.81 0.00 -0.15 4.34 0.13 -1.85 -0.72 132.00 142.56 1h33 h PRO 27 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1h33 h PRO 27 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1h33 h PRO 27 CO 0.85 0.00 -0.39 0.28 -0.23 0.00 0.00 178.00 178.50 1h33 h VAL 28 N 0.00 1.35 -0.45 1.56 2.07 -1.92 -1.64 116.25 117.22 1h33 h VAL 28 Ca 0.00 -1.67 -0.11 0.00 0.82 0.00 0.00 66.70 65.75 1h33 h VAL 28 Cb 0.43 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1h33 h VAL 28 CO 0.00 0.50 -0.15 -0.08 0.02 0.00 0.00 177.57 177.86 1h33 h GLU 29 N 0.15 0.84 -0.70 1.57 4.57 -1.84 -2.54 114.58 116.64 1h33 h GLU 29 Ca -0.01 -0.31 0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1h33 h GLU 29 Cb 1.01 -0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.42 1h33 h GLU 29 CO 0.08 0.94 -0.04 0.78 -1.18 0.00 0.00 179.01 179.60 1h33 h GLY 30 N 0.96 0.71 0.97 1.92 0.00 -1.04 -0.57 103.07 106.02 1h33 h GLY 30 Ca 0.12 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1h33 h GLY 30 CO 0.05 -0.25 0.19 -0.09 0.00 0.00 0.00 176.54 176.43 1h33 h ARG 31 N 0.08 0.38 -0.84 4.80 1.12 -1.04 -2.00 114.38 116.89 1h33 h ARG 31 Ca 0.37 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.23 1h33 h ARG 31 Cb 0.61 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.44 1h33 h ARG 31 CO -0.63 0.25 0.55 -0.09 -3.11 0.00 0.00 179.97 176.94 1h33 h ARG 32 N 0.39 1.08 -0.51 0.20 2.43 -0.93 -3.07 114.38 113.97 1h33 h ARG 32 Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1h33 h ARG 32 Cb -0.03 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 1h33 h ARG 32 CO -0.04 0.71 0.21 -0.07 -1.51 0.00 0.00 179.97 179.27 1h33 h LEU 33 N 1.11 0.70 -1.92 3.80 3.38 -0.67 -1.44 115.31 120.28 1h33 h LEU 33 Ca 0.31 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1h33 h LEU 33 Cb -0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1h33 h LEU 33 CO -0.08 0.67 0.28 0.24 0.09 0.00 0.00 178.44 179.64 1h33 h MET 34 N 0.68 0.09 -0.12 1.13 2.86 -1.28 -2.28 114.93 116.02 1h33 h MET 34 Ca 0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1h33 h MET 34 Cb 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1h33 h MET 34 CO -0.01 0.06 0.00 0.25 1.06 0.00 0.00 176.91 178.27 1h33 n THR 35 N -4.44 0.25 -2.27 2.22 -2.24 -1.03 -1.60 114.28 105.16 1h33 n THR 35 Ca 0.06 -0.62 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 1h33 n THR 35 Cb 0.40 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 1h33 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h33 s ASP 36 N -1.10 6.22 0.64 3.42 -1.08 -0.57 -4.82 116.67 119.36 1h33 s ASP 36 Ca 0.19 0.90 0.41 0.00 -0.52 0.00 0.00 52.55 53.52 1h33 s ASP 36 Cb 0.12 -2.54 2.16 0.00 -1.46 0.00 0.00 42.92 41.21 1h33 s ASP 36 CO 0.18 -1.52 2.29 0.03 0.52 0.00 0.00 175.17 176.66 1h33 h ARG 37 N 11.25 0.00 0.00 4.34 3.08 -1.89 0.33 114.38 131.49 1h33 h ARG 37 Ca -0.29 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1h33 h ARG 37 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1h33 h ARG 37 CO 1.08 0.01 -0.77 1.03 -1.07 0.00 0.00 179.97 180.25 1h33 h SER 38 N 0.00 0.00 0.00 7.04 0.87 -1.93 -3.40 113.55 116.13 1h33 h SER 38 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1h33 h SER 38 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1h33 h SER 38 CO 0.00 0.33 0.00 0.52 -0.53 0.00 0.00 176.83 177.15 1h33 n VAL 39 N -3.00 0.00 -0.02 2.23 0.31 -0.83 -4.90 118.33 112.12 1h33 n VAL 39 Ca -0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.16 1h33 n VAL 39 Cb 0.69 -0.64 -0.11 0.00 -0.91 0.00 0.00 33.84 32.87 1h33 n VAL 39 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1h33 h GLY 40 N 0.00 0.27 -5.28 2.92 0.00 -1.30 -3.47 103.07 96.21 1h33 h GLY 40 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 47.33 46.61 1h33 h GLY 40 CO 0.00 0.38 -0.43 -2.01 0.00 0.00 0.00 176.54 174.47 1h33 n ASN 41 N -4.46 -2.90 0.20 0.19 5.15 0.05 -4.81 115.26 108.67 1h33 n ASN 41 Ca -0.09 -0.19 0.05 0.00 -0.60 0.00 0.00 54.58 53.74 1h33 n ASN 41 Cb 0.51 -2.46 0.43 0.00 -0.53 0.00 0.00 39.78 37.73 1h33 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1h33 n ILE 43 N -3.97 0.77 -0.21 0.00 -0.00 -1.20 -1.73 119.36 113.02 1h33 n ILE 43 Ca -0.02 0.15 0.13 0.00 -0.00 0.00 0.00 62.75 63.01 1h33 n ILE 43 Cb 0.38 -0.95 0.43 0.00 -0.00 0.00 0.00 39.64 39.50 1h33 n ILE 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h33 h ALA 44 N 2.47 1.94 0.00 -1.28 0.00 -1.77 -1.01 119.26 119.62 1h33 h ALA 44 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1h33 h ALA 44 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h33 h ALA 44 CO 0.00 -0.15 -1.45 0.00 0.00 0.00 0.00 179.25 177.65 1h33 s HIS 46 N -2.57 1.86 0.09 0.00 3.76 -0.70 -0.54 115.29 117.20 1h33 s HIS 46 Ca -0.04 -0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 54.11 1h33 s HIS 46 Cb 0.05 -1.25 -0.07 0.00 1.11 0.00 0.00 32.58 32.43 1h33 s HIS 46 CO 0.38 -0.17 0.68 -2.00 -0.85 0.00 0.00 174.74 172.77 1h33 s GLU 47 N -0.01 4.39 -0.14 1.40 2.12 -1.25 -4.34 118.70 120.87 1h33 s GLU 47 Ca -0.04 0.94 -0.02 0.00 0.36 0.00 0.00 54.97 56.21 1h33 s GLU 47 Cb -0.12 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.04 1h33 s GLU 47 CO 0.02 0.53 0.01 0.08 -0.54 0.00 0.00 175.26 175.37 1h33 s VAL 48 N -0.87 0.50 -0.34 3.70 1.01 -1.26 -1.16 120.40 121.99 1h33 s VAL 48 Ca 0.33 -0.28 0.20 0.00 0.00 0.00 0.00 61.98 62.23 1h33 s VAL 48 Cb -0.21 -0.84 0.23 0.00 0.00 0.00 0.00 36.38 35.56 1h33 s VAL 48 CO 0.22 0.01 1.53 0.71 0.00 0.00 0.00 175.10 177.57 1h33 h THR 49 N 6.42 0.30 0.00 3.92 1.35 -1.97 -2.95 112.91 119.97 1h33 h THR 49 Ca -0.18 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1h33 h THR 49 Cb 1.12 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1h33 h THR 49 CO 0.31 0.17 0.19 1.21 -0.25 0.00 0.00 175.52 177.15 1h33 n GLU 50 N -3.13 0.00 0.00 4.72 0.00 -1.26 -5.19 120.64 115.78 1h33 n GLU 50 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1h33 n GLU 50 Cb 0.60 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1h33 n GLU 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1h33 n MET 51 N -1.27 0.00 -4.29 5.31 1.56 -1.12 -5.26 117.12 112.06 1h33 n MET 51 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.24 1h33 n MET 51 Cb 0.19 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.45 1h33 n MET 51 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1h33 s GLN 55 N 2.44 1.16 -1.12 2.12 -0.21 -1.26 -5.07 119.66 117.73 1h33 s GLN 55 Ca 0.00 -1.39 -0.08 0.00 0.02 0.00 0.00 55.36 53.91 1h33 s GLN 55 Cb 0.00 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 1h33 s GLN 55 CO 0.00 0.19 0.87 1.19 -2.12 0.00 0.00 175.29 175.42 1h33 n PHE 56 N 0.17 -2.23 -2.55 0.91 0.99 -1.26 -4.95 117.46 108.54 1h33 n PHE 56 Ca -0.12 0.76 -0.35 0.00 -0.00 0.00 0.00 57.45 57.74 1h33 n PHE 56 Cb 0.58 -4.09 -0.04 0.00 -1.00 0.00 0.00 39.48 34.94 1h33 n PHE 56 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1h33 s PRO 57 N -5.10 3.88 1.13 -1.08 0.04 -1.26 -4.90 135.00 127.71 1h33 s PRO 57 Ca 0.36 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1h33 s PRO 57 Cb -0.07 -2.19 0.25 0.00 0.04 0.00 0.00 34.50 32.53 1h33 s PRO 57 CO 0.78 -0.37 1.08 0.20 0.04 0.00 0.00 177.00 178.73 1h33 s GLY 58 N -1.89 1.55 0.00 0.56 0.00 -0.38 -4.87 107.32 102.29 1h33 s GLY 58 Ca 0.65 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1h33 s GLY 58 CO 0.21 0.16 0.86 -1.30 0.00 0.00 0.00 173.10 173.03 1h33 n THR 59 N -4.60 0.72 -0.08 0.90 -2.24 -1.23 -3.81 114.28 103.93 1h33 n THR 59 Ca 0.08 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1h33 n THR 59 Cb 0.58 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 1h33 n THR 59 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1h33 h VAL 60 N 0.77 1.30 -2.14 2.28 2.07 -1.82 -3.44 116.25 115.28 1h33 h VAL 60 Ca 0.00 -1.22 -0.44 0.00 0.82 0.00 0.00 66.70 65.86 1h33 h VAL 60 Cb 0.62 1.58 0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1h33 h VAL 60 CO 0.00 0.38 -0.24 -0.83 0.02 0.00 0.00 177.57 176.90 1h33 s GLY 61 N -3.41 1.61 0.72 2.17 0.00 0.30 -5.06 107.32 103.65 1h33 s GLY 61 Ca -0.13 -1.33 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 1h33 s GLY 61 CO 0.78 -1.20 1.12 2.56 0.00 0.00 0.00 173.10 176.36 1h33 s PRO 62 N -4.34 2.41 0.31 2.90 0.04 -1.26 -4.65 135.00 130.41 1h33 s PRO 62 Ca 0.47 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1h33 s PRO 62 Cb -0.10 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1h33 s PRO 62 CO 0.34 -1.55 1.50 0.45 0.04 0.00 0.00 177.00 177.77 1h33 n SER 63 N -2.92 3.49 -0.75 6.66 2.88 -1.26 -4.34 113.62 117.38 1h33 n SER 63 Ca 0.11 1.17 0.09 0.00 -1.33 0.00 0.00 58.87 58.90 1h33 n SER 63 Cb 0.52 -1.55 0.26 0.00 -0.75 0.00 0.00 64.21 62.69 1h33 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1h33 n LEU 64 N 1.62 2.20 -4.72 2.46 4.77 -0.31 -4.87 117.00 118.15 1h33 n LEU 64 Ca 0.07 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.60 1h33 n LEU 64 Cb 0.36 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1h33 n LEU 64 CO 0.63 0.51 1.33 -1.81 -1.33 0.00 0.00 177.39 176.73 1h33 s ASP 65 N -1.25 6.42 0.00 -1.43 1.01 -1.26 -1.98 116.67 118.18 1h33 s ASP 65 Ca 0.31 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.40 1h33 s ASP 65 Cb 0.17 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1h33 s ASP 65 CO 0.23 -0.94 0.00 0.61 0.21 0.00 0.00 175.17 175.28 1h33 n GLY 66 N 3.73 0.83 0.33 0.21 0.00 -1.18 -4.90 105.19 104.21 1h33 n GLY 66 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1h33 n GLY 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1h33 h VAL 67 N 0.00 1.07 -0.01 1.61 3.04 -1.21 -0.71 116.25 120.04 1h33 h VAL 67 Ca 0.00 -0.21 -0.15 0.00 -1.01 0.00 0.00 66.70 65.33 1h33 h VAL 67 Cb 0.00 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 1h33 h VAL 67 CO 0.00 0.11 -0.70 0.00 -1.01 0.00 0.00 177.57 175.97 1h33 h ALA 68 N 1.69 0.83 -0.34 3.17 0.00 -1.50 0.10 119.26 123.22 1h33 h ALA 68 Ca 0.21 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1h33 h ALA 68 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1h33 h ALA 68 CO -0.05 0.85 -0.04 0.00 0.00 0.00 0.00 179.25 180.01 1h33 h ALA 69 N 1.27 1.31 0.00 0.00 0.00 -1.20 -3.37 119.26 117.27 1h33 h ALA 69 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.45 1h33 h ALA 69 Cb 1.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1h33 h ALA 69 CO 0.09 0.47 -1.86 2.89 0.00 0.00 0.00 179.25 180.84 1h33 n ARG 70 N -4.25 0.65 -4.34 0.00 1.85 -0.77 -4.96 116.66 104.83 1h33 n ARG 70 Ca 0.01 0.09 -0.26 0.00 -1.00 0.00 0.00 57.85 56.69 1h33 n ARG 70 Cb 0.27 -1.67 -0.12 0.00 -1.05 0.00 0.00 32.46 29.89 1h33 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1h33 s TYR 71 N -2.85 2.04 0.81 2.89 2.02 -0.05 -5.11 117.35 117.11 1h33 s TYR 71 Ca -0.06 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1h33 s TYR 71 Cb 0.09 -1.09 0.08 0.00 -0.40 0.00 0.00 41.96 40.64 1h33 s TYR 71 CO 0.83 0.30 1.13 -1.25 -1.57 0.00 0.00 175.55 174.99 1h33 s PRO 72 N -2.12 1.95 0.19 -1.71 0.04 -1.26 -4.59 135.00 127.50 1h33 s PRO 72 Ca 0.12 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.41 1h33 s PRO 72 Cb -0.09 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.64 1h33 s PRO 72 CO 0.06 -1.65 1.76 1.49 0.04 0.00 0.00 177.00 178.70 1h33 h GLU 73 N -1.10 1.04 -0.70 4.56 4.81 -1.97 -2.18 114.58 119.03 1h33 h GLU 73 Ca -0.47 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1h33 h GLU 73 Cb 1.30 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 1h33 h GLU 73 CO 0.63 0.85 0.46 0.00 -0.73 0.00 0.00 179.01 180.22 1h33 h ALA 74 N 1.14 1.80 0.03 2.92 0.00 -1.89 0.34 119.26 123.60 1h33 h ALA 74 Ca 0.24 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1h33 h ALA 74 Cb 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1h33 h ALA 74 CO -0.02 0.07 -0.88 1.98 0.00 0.00 0.00 179.25 180.40 1h33 h MET 75 N 0.66 0.55 -0.56 0.00 1.85 -1.69 -0.67 114.93 115.07 1h33 h MET 75 Ca 0.31 -0.63 -0.00 0.00 -0.61 0.00 0.00 59.70 58.78 1h33 h MET 75 Cb 0.38 0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.56 1h33 h MET 75 CO -0.11 1.24 0.33 0.82 -0.40 0.00 0.00 176.91 178.80 1h33 h ILE 76 N 0.12 1.17 -0.69 1.77 2.04 -1.02 -0.18 117.51 120.73 1h33 h ILE 76 Ca -0.12 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1h33 h ILE 76 Cb 1.57 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1h33 h ILE 76 CO 0.17 0.17 0.29 -0.09 0.00 0.00 0.00 178.15 178.69 1h33 h ARG 77 N 0.75 1.01 -0.77 2.37 2.43 -0.34 -2.61 114.38 117.22 1h33 h ARG 77 Ca 0.20 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1h33 h ARG 77 Cb -0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1h33 h ARG 77 CO -0.04 0.81 0.35 0.78 -1.51 0.00 0.00 179.97 180.37 1h33 h GLY 78 N 1.06 1.20 0.98 2.80 0.00 -0.50 -1.15 103.07 107.46 1h33 h GLY 78 Ca 0.23 -0.61 0.05 0.00 0.00 0.00 0.00 47.33 47.00 1h33 h GLY 78 CO -0.02 0.58 0.55 -2.22 0.00 0.00 0.00 176.54 175.43 1h33 h ILE 79 N 1.10 1.09 0.00 2.60 2.04 -0.69 -2.49 117.51 121.16 1h33 h ILE 79 Ca 0.26 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1h33 h ILE 79 Cb 0.14 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1h33 h ILE 79 CO -0.03 0.18 -0.83 -0.07 0.00 0.00 0.00 178.15 177.40 1h33 h LEU 80 N 0.98 0.00 -0.05 1.44 3.38 -1.14 -1.89 115.31 118.03 1h33 h LEU 80 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.27 1h33 h LEU 80 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h33 h LEU 80 CO -0.12 0.74 -0.17 0.58 0.09 0.00 0.00 178.44 179.56 1h33 h VAL 81 N 0.00 1.45 -0.86 1.22 2.07 -1.03 -3.11 116.25 115.98 1h33 h VAL 81 Ca -0.03 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1h33 h VAL 81 Cb 1.59 2.34 -0.20 0.00 -1.52 0.00 0.00 31.29 33.51 1h33 h VAL 81 CO 0.09 0.44 -0.35 0.21 0.02 0.00 0.00 177.57 177.98 1h33 s ASN 82 N -6.14 -1.37 0.51 0.57 3.84 -0.95 -1.60 114.94 109.79 1h33 s ASN 82 Ca -0.15 -0.29 0.27 0.00 0.21 0.00 0.00 52.86 52.90 1h33 s ASN 82 Cb 0.03 1.79 1.38 0.00 -0.55 0.00 0.00 41.25 43.89 1h33 s ASN 82 CO 0.74 -0.20 1.92 0.77 -2.79 0.00 0.00 177.10 177.54 1h33 h SER 83 N 7.25 0.08 0.79 -4.21 4.64 -1.47 -1.45 113.55 119.17 1h33 h SER 83 Ca 0.01 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1h33 h SER 83 Cb 1.19 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1h33 h SER 83 CO 0.09 0.03 -0.07 0.11 -0.87 0.00 0.00 176.83 176.12 1h33 h LYS 84 N 0.08 0.00 -0.06 4.77 6.56 -1.86 0.40 116.57 126.45 1h33 h LYS 84 Ca 0.37 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.88 1h33 h LYS 84 Cb 1.36 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.01 1h33 h LYS 84 CO -0.03 0.07 -0.35 -0.91 -2.06 0.00 0.00 179.45 176.16 1h33 h ASN 85 N 0.00 0.12 0.05 0.86 2.35 -1.60 -2.84 115.58 114.52 1h33 h ASN 85 Ca -0.00 -0.04 -0.38 0.00 -0.55 0.00 0.00 56.30 55.33 1h33 h ASN 85 Cb 0.48 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.77 1h33 h ASN 85 CO 0.01 0.47 -2.23 0.52 -1.65 0.00 0.00 177.43 174.55 1h33 n VAL 86 N -4.10 1.62 -3.76 2.81 0.31 -0.60 -4.12 118.33 110.49 1h33 n VAL 86 Ca -0.02 -0.57 -0.28 0.00 -0.01 0.00 0.00 64.34 63.46 1h33 n VAL 86 Cb 0.41 -1.61 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 1h33 n VAL 86 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1h33 s PHE 87 N -2.53 2.66 0.18 3.52 0.40 0.13 -5.03 117.98 117.32 1h33 s PHE 87 Ca -0.30 -2.91 -0.33 0.00 -0.60 0.00 0.00 56.93 52.79 1h33 s PHE 87 Cb 0.08 -2.17 -0.15 0.00 0.51 0.00 0.00 43.02 41.30 1h33 s PHE 87 CO 0.66 -0.68 1.25 -2.30 0.70 0.00 0.00 175.22 174.85 1h33 n PRO 88 N 2.62 1.40 -1.31 0.24 -0.02 -1.07 -0.79 135.00 136.07 1h33 n PRO 88 Ca 0.18 0.50 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1h33 n PRO 88 Cb 0.37 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 1h33 n PRO 88 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1h33 n GLU 89 N 1.94 -1.30 -1.31 -0.52 1.02 -1.26 -5.00 120.64 114.20 1h33 n GLU 89 Ca 0.15 0.83 -0.35 0.00 -0.02 0.00 0.00 57.16 57.76 1h33 n GLU 89 Cb 0.26 -5.02 0.09 0.00 -0.02 0.00 0.00 31.44 26.74 1h33 n GLU 89 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1h33 n THR 90 N -2.41 2.62 1.28 2.62 5.66 0.03 -4.94 114.28 119.14 1h33 n THR 90 Ca -0.11 -0.35 0.14 0.00 -3.05 0.00 0.00 64.05 60.68 1h33 n THR 90 Cb 0.49 -1.08 0.56 0.00 -1.55 0.00 0.00 70.33 68.75 1h33 n THR 90 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1h33 n VAL 91 N -2.61 0.00 -2.17 1.08 0.24 -1.26 -4.89 118.33 108.72 1h33 n VAL 91 Ca 0.13 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.97 1h33 n VAL 91 Cb 0.50 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 1h33 n VAL 91 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1h33 s MET 92 N -2.64 4.34 0.82 7.34 -2.45 -1.26 -4.96 119.30 120.49 1h33 s MET 92 Ca 0.24 2.10 -0.13 0.00 -1.25 0.00 0.00 55.69 56.65 1h33 s MET 92 Cb 0.19 -3.20 0.09 0.00 1.25 0.00 0.00 34.83 33.16 1h33 s MET 92 CO 0.51 -0.36 1.19 -2.14 1.05 0.00 0.00 175.02 175.28 1h33 s PRO 93 N 0.38 1.59 -0.47 4.11 0.02 -1.26 -4.74 135.00 134.63 1h33 s PRO 93 Ca 0.61 1.71 -0.20 0.00 0.02 0.00 0.00 61.00 63.14 1h33 s PRO 93 Cb -0.37 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.41 1h33 s PRO 93 CO 0.35 -2.24 0.65 0.00 -0.33 0.00 0.00 177.00 175.43 1h33 s ALA 94 N -2.23 3.35 -0.71 -1.55 0.00 -1.26 -4.40 121.76 114.96 1h33 s ALA 94 Ca 0.72 -1.44 0.25 0.00 0.00 0.00 0.00 51.96 51.48 1h33 s ALA 94 Cb -0.28 -3.35 0.43 0.00 0.00 0.00 0.00 23.12 19.93 1h33 s ALA 94 CO 0.51 -1.92 1.38 0.66 0.00 0.00 0.00 175.76 176.40 1h33 n TYR 95 N 6.30 0.48 -1.86 0.00 4.02 -1.18 -3.70 117.16 121.21 1h33 n TYR 95 Ca -0.04 0.14 -0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1h33 n TYR 95 Cb 0.47 -0.61 0.09 0.00 -0.02 0.00 0.00 39.34 39.27 1h33 n TYR 95 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1h33 n TYR 96 N -2.01 1.72 -4.53 -0.72 9.36 -0.63 -2.23 117.16 118.12 1h33 n TYR 96 Ca 0.04 -1.95 -0.33 0.00 3.32 0.00 0.00 57.90 58.97 1h33 n TYR 96 Cb 0.42 -0.31 -0.11 0.00 -0.63 0.00 0.00 39.34 38.72 1h33 n TYR 96 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1h33 s ARG 97 N -3.47 2.72 0.00 2.98 1.81 -1.24 -4.76 118.95 117.00 1h33 s ARG 97 Ca 0.46 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.89 1h33 s ARG 97 Cb 0.40 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 32.30 1h33 s ARG 97 CO -0.00 0.65 0.65 1.33 -0.68 0.00 0.00 175.30 177.24 1h33 n VAL 98 N 1.97 0.42 -4.14 3.52 0.24 -1.26 -4.50 118.33 114.57 1h33 n VAL 98 Ca -0.17 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.34 61.44 1h33 n VAL 98 Cb 0.53 0.91 -0.11 0.00 -1.47 0.00 0.00 33.84 33.70 1h33 n VAL 98 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1h33 s GLU 99 N -0.42 0.75 0.00 7.34 2.02 -1.26 -4.66 118.70 122.47 1h33 s GLU 99 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1h33 s GLU 99 Cb 0.00 -0.45 0.00 0.00 0.10 0.00 0.00 34.13 33.78 1h33 s GLU 99 CO 0.00 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1h33 n GLY 100 N 0.83 0.53 3.79 -1.39 0.00 -1.26 -5.07 105.19 102.63 1h33 n GLY 100 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1h33 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h33 s PHE 101 N -2.14 3.44 -0.28 1.61 0.40 -1.26 -5.03 117.98 114.72 1h33 s PHE 101 Ca 0.00 1.69 -0.13 0.00 -0.60 0.00 0.00 56.93 57.89 1h33 s PHE 101 Cb 0.00 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 1h33 s PHE 101 CO 0.00 -0.18 0.28 -0.80 0.70 0.00 0.00 175.22 175.22 1h33 s ASN 102 N -1.73 6.13 -1.29 1.36 0.01 -1.26 -4.56 114.94 113.60 1h33 s ASN 102 Ca 0.56 0.13 -0.04 0.00 -0.71 0.00 0.00 52.86 52.80 1h33 s ASN 102 Cb -0.18 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.33 1h33 s ASN 102 CO 0.23 -0.12 1.00 0.54 -1.51 0.00 0.00 177.10 177.24 1h33 n ARG 103 N 5.19 -6.60 -2.09 -0.60 1.74 -1.26 -4.95 116.66 108.09 1h33 n ARG 103 Ca -0.11 0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 57.35 1h33 n ARG 103 Cb 0.51 -5.72 -0.01 0.00 -1.02 0.00 0.00 32.46 26.23 1h33 n ARG 103 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h33 s PRO 104 N -5.85 4.03 0.30 5.56 0.04 -1.26 -5.00 135.00 132.82 1h33 s PRO 104 Ca 0.23 2.12 0.10 0.00 0.04 0.00 0.00 61.00 63.49 1h33 s PRO 104 Cb -0.10 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 1h33 s PRO 104 CO 0.75 -0.43 -0.04 0.20 0.04 0.00 0.00 177.00 177.52 1h33 s GLY 105 N -0.75 1.88 -0.46 0.56 0.00 -1.26 -2.74 107.32 104.54 1h33 s GLY 105 Ca 0.56 -1.83 -0.28 0.00 0.00 0.00 0.00 44.72 43.16 1h33 s GLY 105 CO 0.48 -1.85 1.46 -0.42 0.00 0.00 0.00 173.10 172.77 1h33 s ILE 106 N -2.45 3.81 0.00 0.90 1.01 0.12 -4.68 121.20 119.91 1h33 s ILE 106 Ca 0.32 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.75 1h33 s ILE 106 Cb -0.04 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1h33 s ILE 106 CO 0.19 -0.87 0.00 0.00 0.00 0.00 0.00 174.94 174.26 1h33 n ALA 107 N 9.34 0.00 -1.32 9.38 0.00 -1.26 -1.38 120.51 135.27 1h33 n ALA 107 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 1h33 n ALA 107 Cb 0.48 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.15 1h33 n ALA 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h33 n PHE 108 N 13.80 1.15 1.28 0.00 3.01 -1.26 -4.65 117.46 130.80 1h33 n PHE 108 Ca 0.00 -1.43 0.13 0.00 1.01 0.00 0.00 57.45 57.16 1h33 n PHE 108 Cb 0.00 -0.47 0.40 0.00 -0.01 0.00 0.00 39.48 39.40 1h33 n PHE 108 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1h33 n THR 109 N -0.98 0.00 -0.84 4.37 -2.24 -0.48 -4.92 114.28 109.19 1h33 n THR 109 Ca 0.32 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1h33 n THR 109 Cb 1.03 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1h33 n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h33 n SER 110 N -0.52 -2.10 -4.82 3.42 7.64 -1.26 -5.00 113.62 110.98 1h33 n SER 110 Ca 0.13 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 1h33 n SER 110 Cb 0.35 -1.77 -0.06 0.00 -1.01 0.00 0.00 64.21 61.72 1h33 n SER 110 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1h33 s LYS 111 N -0.82 4.17 0.32 1.43 1.02 -1.26 -4.91 119.74 119.67 1h33 s LYS 111 Ca 0.00 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.40 1h33 s LYS 111 Cb 0.00 -3.18 -0.11 0.00 -0.52 0.00 0.00 37.83 34.03 1h33 s LYS 111 CO 0.00 0.61 1.43 -2.14 -0.92 0.00 0.00 175.35 174.33 1h33 s PRO 112 N -1.27 4.23 -0.21 -1.68 0.02 -1.26 0.13 135.00 134.97 1h33 s PRO 112 Ca 0.31 2.38 -0.29 0.00 0.02 0.00 0.00 61.00 63.42 1h33 s PRO 112 Cb -0.19 -3.05 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 1h33 s PRO 112 CO 0.19 -0.40 1.21 0.42 -0.33 0.00 0.00 177.00 178.08 1h33 s ILE 113 N -0.68 4.37 -0.18 2.83 1.01 -1.11 -4.62 121.20 122.82 1h33 s ILE 113 Ca 0.55 1.64 -0.04 0.00 0.00 0.00 0.00 60.65 62.80 1h33 s ILE 113 Cb -0.43 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 1h33 s ILE 113 CO 0.52 -0.21 -0.04 -1.61 0.00 0.00 0.00 174.94 173.61 1h33 s GLU 114 N 3.52 3.54 1.16 2.79 2.02 -1.26 -4.96 118.70 125.51 1h33 s GLU 114 Ca 0.52 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1h33 s GLU 114 Cb -0.19 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.09 1h33 s GLU 114 CO 0.14 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1h33 n GLY 115 N 4.10 0.62 3.71 -1.39 0.00 -1.26 -4.95 105.19 106.03 1h33 n GLY 115 Ca -0.18 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1h33 n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h33 s GLU 116 N 0.00 4.40 -0.20 1.61 2.12 -1.26 -4.99 118.70 120.38 1h33 s GLU 116 Ca 0.00 1.83 -0.21 0.00 0.36 0.00 0.00 54.97 56.95 1h33 s GLU 116 Cb 0.00 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 1h33 s GLU 116 CO 0.00 -0.31 0.62 0.42 -0.54 0.00 0.00 175.26 175.45 1h33 s ILE 117 N 1.18 5.03 0.23 -3.70 1.01 -1.26 -5.08 121.20 118.61 1h33 s ILE 117 Ca 0.60 1.16 -0.15 0.00 0.00 0.00 0.00 60.65 62.26 1h33 s ILE 117 Cb -0.31 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 1h33 s ILE 117 CO 0.29 0.12 0.65 -0.13 0.00 0.00 0.00 174.94 175.87 1h33 s ARG 118 N 1.86 4.02 0.79 2.79 0.52 -1.26 -4.82 118.95 122.86 1h33 s ARG 118 Ca 0.28 0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 55.99 1h33 s ARG 118 Cb -0.16 -2.72 0.07 0.00 0.52 0.00 0.00 34.95 32.67 1h33 s ARG 118 CO 0.10 0.33 1.10 -1.25 0.02 0.00 0.00 175.30 175.60 1h33 s PRO 119 N -2.43 2.06 0.36 3.54 0.04 -1.26 -4.92 135.00 132.39 1h33 s PRO 119 Ca 0.46 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1h33 s PRO 119 Cb -0.13 -1.87 0.69 0.00 0.04 0.00 0.00 34.50 33.22 1h33 s PRO 119 CO 0.19 -1.79 1.99 -0.07 0.04 0.00 0.00 177.00 177.36 1h33 h LEU 120 N -1.24 0.60 -8.46 -3.56 3.38 -1.75 -3.42 115.31 100.86 1h33 h LEU 120 Ca -0.44 -0.04 -0.42 0.00 0.09 0.00 0.00 57.88 57.07 1h33 h LEU 120 Cb 1.24 -0.15 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 1h33 h LEU 120 CO 0.50 0.49 -0.78 -0.04 0.09 0.00 0.00 178.44 178.70 1h33 s MET 121 N -5.47 0.87 0.80 1.13 -1.94 -0.95 -4.92 119.30 108.82 1h33 s MET 121 Ca -0.09 -1.01 -0.11 0.00 -1.71 0.00 0.00 55.69 52.77 1h33 s MET 121 Cb 0.17 -0.87 0.07 0.00 2.01 0.00 0.00 34.83 36.20 1h33 s MET 121 CO 0.76 0.19 1.09 0.95 -0.01 0.00 0.00 175.02 178.00 1h33 s THR 122 N -1.38 3.18 0.23 2.05 -4.23 -1.26 -4.71 115.64 109.51 1h33 s THR 122 Ca 0.00 0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1h33 s THR 122 Cb -0.09 -3.07 0.19 0.00 1.34 0.00 0.00 72.50 70.87 1h33 s THR 122 CO 0.02 -0.50 1.82 0.00 -0.54 0.00 0.00 174.62 175.42 1h33 h ALA 123 N -1.11 1.09 -0.51 3.99 0.00 -1.91 -0.80 119.26 120.02 1h33 h ALA 123 Ca -0.47 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1h33 h ALA 123 Cb 1.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1h33 h ALA 123 CO 0.58 0.11 -0.06 0.78 0.00 0.00 0.00 179.25 180.66 1h33 h GLY 124 N 0.79 0.99 1.24 0.00 0.00 -1.93 -0.65 103.07 103.51 1h33 h GLY 124 Ca 0.36 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1h33 h GLY 124 CO -0.22 0.68 0.07 1.46 0.00 0.00 0.00 176.54 178.53 1h33 h GLN 125 N 0.83 0.93 -0.33 4.80 4.20 -1.78 -0.80 115.11 122.96 1h33 h GLN 125 Ca 0.14 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1h33 h GLN 125 Cb 0.58 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1h33 h GLN 125 CO 0.04 0.87 -0.01 0.82 -0.67 0.00 0.00 178.83 179.88 1h33 h ILE 126 N 0.87 1.26 -0.10 2.54 2.04 -0.73 -1.99 117.51 121.40 1h33 h ILE 126 Ca 0.18 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 1h33 h ILE 126 Cb 0.41 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1h33 h ILE 126 CO 0.01 0.32 -0.22 -0.33 0.00 0.00 0.00 178.15 177.93 1h33 h GLU 127 N 0.38 0.17 -0.35 2.37 4.39 -0.81 0.15 114.58 120.89 1h33 h GLU 127 Ca 0.09 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1h33 h GLU 127 Cb 0.46 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1h33 h GLU 127 CO 0.02 0.38 0.14 -0.44 -1.16 0.00 0.00 179.01 177.95 1h33 h ASP 128 N 0.16 0.48 -0.45 1.42 3.32 -1.02 -0.77 116.42 119.55 1h33 h ASP 128 Ca 0.03 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 1h33 h ASP 128 Cb 0.47 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1h33 h ASP 128 CO 0.03 0.51 0.10 0.58 -1.72 0.00 0.00 179.24 178.75 1h33 h VAL 129 N 0.41 1.24 -0.92 -1.35 2.07 -1.05 -1.41 116.25 115.24 1h33 h VAL 129 Ca 0.12 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.88 1h33 h VAL 129 Cb 0.18 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1h33 h VAL 129 CO -0.01 0.30 0.57 0.58 0.02 0.00 0.00 177.57 179.03 1h33 h VAL 130 N 0.60 1.01 -0.46 2.57 2.07 -0.90 0.29 116.25 121.44 1h33 h VAL 130 Ca 0.14 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1h33 h VAL 130 Cb 0.34 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1h33 h VAL 130 CO 0.00 0.18 0.03 0.00 0.02 0.00 0.00 177.57 177.81 1h33 h ALA 131 N 1.45 1.20 -0.21 1.67 0.00 -0.84 -0.86 119.26 121.68 1h33 h ALA 131 Ca 0.41 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1h33 h ALA 131 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1h33 h ALA 131 CO -0.20 0.53 -0.05 -0.92 0.00 0.00 0.00 179.25 178.60 1h33 h TYR 132 N 0.69 0.46 0.00 0.00 3.20 -0.12 -2.92 116.97 118.28 1h33 h TYR 132 Ca 0.14 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1h33 h TYR 132 Cb 0.38 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1h33 h TYR 132 CO 0.02 0.65 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.98 1h33 h LEU 133 N 0.13 0.00 -1.40 2.82 3.38 -0.02 0.26 115.31 120.47 1h33 h LEU 133 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1h33 h LEU 133 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1h33 h LEU 133 CO 0.02 0.15 -0.04 0.24 0.09 0.00 0.00 178.44 178.90 1h33 h MET 134 N 0.00 0.00 0.00 1.13 2.86 -0.98 -1.01 114.93 116.93 1h33 h MET 134 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1h33 h MET 134 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1h33 h MET 134 CO 0.02 0.04 0.00 0.25 1.06 0.00 0.00 176.91 178.27 1h33 n THR 135 N -3.15 0.84 -2.21 2.22 -2.24 0.08 -4.44 114.28 105.38 1h33 n THR 135 Ca 0.01 0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.56 1h33 n THR 135 Cb 0.33 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1h33 n THR 135 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1h33 n LEU 136 N -1.99 6.65 -0.04 3.22 4.77 -0.38 -4.46 117.00 124.77 1h33 n LEU 136 Ca 0.03 -4.51 0.02 0.00 -0.03 0.00 0.00 56.01 51.52 1h33 n LEU 136 Cb 0.23 -1.53 -0.16 0.00 -2.33 0.00 0.00 43.42 39.63 1h33 n LEU 136 CO 0.19 1.29 -0.85 0.35 -1.33 0.00 0.00 177.39 177.03 1h33 n THR 137 N 3.81 0.62 0.00 -5.08 -2.24 -1.26 -1.70 114.28 108.42 1h33 n THR 137 Ca 0.43 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1h33 n THR 137 Cb 0.37 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1h33 n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50