#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oz1 s GLU 2 N 0.00 3.06 -0.24 0.00 2.02 -1.26 -3.23 118.70 119.06 2oz1 s GLU 2 Ca 0.00 -0.82 -0.17 0.00 0.02 0.00 0.00 54.97 54.00 2oz1 s GLU 2 Cb 0.00 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 2oz1 s GLU 2 CO 0.00 0.48 0.45 0.08 0.02 0.00 0.00 175.26 176.29 2oz1 s VAL 3 N -1.81 5.14 0.53 2.63 1.01 0.02 -4.99 120.40 122.93 2oz1 s VAL 3 Ca 0.32 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 2oz1 s VAL 3 Cb -0.10 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 2oz1 s VAL 3 CO 0.25 0.17 1.13 0.00 0.00 0.00 0.00 175.10 176.65 2oz1 s ALA 4 N 1.85 2.74 0.36 5.51 0.00 -1.26 -4.91 121.76 126.05 2oz1 s ALA 4 Ca 0.20 0.84 0.19 0.00 0.00 0.00 0.00 51.96 53.18 2oz1 s ALA 4 Cb -0.15 -3.36 1.24 0.00 0.00 0.00 0.00 23.12 20.84 2oz1 s ALA 4 CO 0.09 -0.75 1.62 -1.35 0.00 0.00 0.00 175.76 175.37 2oz1 h PRO 5 N 1.33 0.15 0.00 0.00 0.11 -1.98 -0.39 132.00 131.22 2oz1 h PRO 5 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2oz1 h PRO 5 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2oz1 h PRO 5 CO 0.57 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2oz1 n GLY 6 N -1.29 -1.30 0.60 -0.55 0.00 -1.26 -3.34 105.19 98.04 2oz1 n GLY 6 Ca 0.35 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.41 2oz1 n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oz1 n ASP 7 N -1.82 2.54 -4.69 1.61 8.00 -0.16 -5.02 116.55 117.02 2oz1 n ASP 7 Ca 0.04 -1.77 -0.42 0.00 0.71 0.00 0.00 54.79 53.35 2oz1 n ASP 7 Cb 0.27 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2oz1 n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2oz1 s VAL 8 N -1.00 3.82 -0.55 2.53 1.01 -1.21 -4.93 120.40 120.07 2oz1 s VAL 8 Ca 0.20 1.21 -0.26 0.00 0.00 0.00 0.00 61.98 63.13 2oz1 s VAL 8 Cb 0.12 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2oz1 s VAL 8 CO 0.16 0.01 1.07 0.00 0.00 0.00 0.00 175.10 176.34 2oz1 s ALA 9 N 2.21 3.09 -0.14 5.51 0.00 -1.26 -5.01 121.76 126.16 2oz1 s ALA 9 Ca 0.62 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 2oz1 s ALA 9 Cb -0.30 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 18.92 2oz1 s ALA 9 CO 0.26 -2.48 -0.07 0.42 0.00 0.00 0.00 175.76 173.88 2oz1 s ILE 10 N 4.43 3.59 0.85 0.00 1.01 -1.26 -4.37 121.20 125.45 2oz1 s ILE 10 Ca 0.38 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 2oz1 s ILE 10 Cb -0.10 -2.55 0.18 0.00 0.01 0.00 0.00 42.46 40.01 2oz1 s ILE 10 CO 0.23 0.51 1.16 -0.90 0.00 0.00 0.00 174.94 175.94 2oz1 n ASP 11 N 3.45 0.78 0.23 3.58 5.68 -0.65 -4.90 116.55 124.71 2oz1 n ASP 11 Ca -0.18 -1.84 0.14 0.00 -0.50 0.00 0.00 54.79 52.42 2oz1 n ASP 11 Cb 0.53 -0.82 0.75 0.00 -1.14 0.00 0.00 41.12 40.44 2oz1 n ASP 11 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2oz1 h GLY 12 N -1.14 0.00 -1.23 6.12 0.00 -2.00 -0.84 103.07 103.98 2oz1 h GLY 12 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2oz1 h GLY 12 CO 0.33 0.00 -0.19 -1.06 0.00 0.00 0.00 176.54 175.62 2oz1 n GLN 13 N -2.51 1.63 -0.46 4.80 6.02 -1.26 -4.96 117.38 120.64 2oz1 n GLN 13 Ca -0.02 -1.29 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 2oz1 n GLN 13 Cb 0.11 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2oz1 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oz1 n GLY 14 N 1.19 0.74 3.78 1.08 0.00 -0.32 -4.21 105.19 107.45 2oz1 n GLY 14 Ca 0.10 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 2oz1 n GLY 14 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oz1 s HIS 15 N -2.00 3.81 -0.38 1.61 3.76 -1.26 -4.23 115.29 116.61 2oz1 s HIS 15 Ca 0.00 1.40 -0.00 0.00 -0.15 0.00 0.00 55.06 56.31 2oz1 s HIS 15 Cb 0.00 -2.65 0.10 0.00 1.11 0.00 0.00 32.58 31.15 2oz1 s HIS 15 CO 0.00 0.48 0.13 0.08 -0.85 0.00 0.00 174.74 174.58 2oz1 s VAL 16 N -0.81 2.87 0.21 -0.90 1.01 0.72 -1.64 120.40 121.86 2oz1 s VAL 16 Ca 0.33 -2.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.14 2oz1 s VAL 16 Cb -0.21 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2oz1 s VAL 16 CO 0.22 -0.63 1.57 0.00 0.00 0.00 0.00 175.10 176.26 2oz1 h ALA 17 N 7.87 0.80 -3.08 5.51 0.00 -1.80 -3.38 119.26 125.18 2oz1 h ALA 17 Ca -0.10 -0.45 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 2oz1 h ALA 17 Cb 1.04 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 2oz1 h ALA 17 CO 0.62 0.65 -0.35 0.50 0.00 0.00 0.00 179.25 180.67 2oz1 s ARG 18 N -4.23 4.19 0.60 0.00 3.52 -1.26 -4.83 118.95 116.94 2oz1 s ARG 18 Ca -0.08 0.05 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 2oz1 s ARG 18 Cb 0.12 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 2oz1 s ARG 18 CO 0.83 0.30 0.74 -2.30 -0.81 0.00 0.00 175.30 174.06 2oz1 n PRO 19 N 3.40 0.65 0.03 5.12 -0.02 -1.26 -4.89 135.00 138.03 2oz1 n PRO 19 Ca -0.13 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2oz1 n PRO 19 Cb 0.52 -1.94 0.53 0.00 -0.02 0.00 0.00 33.50 32.59 2oz1 n PRO 19 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2oz1 n LEU 20 N -0.24 0.26 -3.72 2.45 4.77 -1.26 -4.81 117.00 114.44 2oz1 n LEU 20 Ca 0.13 0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 56.51 2oz1 n LEU 20 Cb 0.48 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2oz1 n LEU 20 CO 0.50 -0.10 0.08 0.28 -1.33 0.00 0.00 177.39 176.82 2oz1 s THR 21 N -3.04 0.07 -1.38 -5.08 -1.32 -1.26 -0.80 115.64 102.82 2oz1 s THR 21 Ca 0.12 -0.56 0.28 0.00 -1.21 0.00 0.00 61.69 60.31 2oz1 s THR 21 Cb 0.16 -0.90 0.28 0.00 -1.51 0.00 0.00 72.50 70.53 2oz1 s THR 21 CO 0.52 -0.31 1.73 -0.90 -2.21 0.00 0.00 174.62 173.45 2oz1 n ASP 22 N 0.66 0.46 -4.73 8.08 5.68 -1.20 -4.86 116.55 120.64 2oz1 n ASP 22 Ca -0.19 -0.33 -0.42 0.00 -0.50 0.00 0.00 54.79 53.35 2oz1 n ASP 22 Cb 0.59 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.49 2oz1 n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2oz1 s ALA 23 N -2.70 3.53 0.18 2.12 0.00 -1.26 -4.94 121.76 118.69 2oz1 s ALA 23 Ca 0.21 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 2oz1 s ALA 23 Cb 0.19 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2oz1 s ALA 23 CO 0.55 -0.55 1.40 -1.25 0.00 0.00 0.00 175.76 175.91 2oz1 s PRO 24 N 0.29 4.32 0.19 0.00 0.04 -1.26 -4.94 135.00 133.64 2oz1 s PRO 24 Ca 0.59 2.16 -0.32 0.00 0.04 0.00 0.00 61.00 63.47 2oz1 s PRO 24 Cb -0.36 -3.18 -0.12 0.00 0.04 0.00 0.00 34.50 30.88 2oz1 s PRO 24 CO 0.35 -0.39 1.76 0.41 0.04 0.00 0.00 177.00 179.17 2oz1 n GLY 25 N 2.82 1.57 3.25 0.56 0.00 -1.26 -4.89 105.19 107.24 2oz1 n GLY 25 Ca 0.09 0.65 -0.40 0.00 0.00 0.00 0.00 46.02 46.35 2oz1 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oz1 s ASP 26 N 1.59 5.66 0.57 1.61 2.15 -1.26 -4.89 116.67 122.08 2oz1 s ASP 26 Ca 0.77 -1.64 0.31 0.00 0.43 0.00 0.00 52.55 52.42 2oz1 s ASP 26 Cb -0.50 -1.99 1.70 0.00 -0.30 0.00 0.00 42.92 41.82 2oz1 s ASP 26 CO 0.34 -0.59 2.16 1.55 -0.17 0.00 0.00 175.17 178.46 2oz1 h PRO 27 N 8.42 0.00 -0.04 4.34 0.13 -1.84 0.20 132.00 143.21 2oz1 h PRO 27 Ca -0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2oz1 h PRO 27 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2oz1 h PRO 27 CO 0.79 0.06 -0.00 0.28 -0.23 0.00 0.00 178.00 178.90 2oz1 h VAL 28 N 0.00 1.26 -0.43 1.56 2.07 -1.94 -0.56 116.25 118.21 2oz1 h VAL 28 Ca -0.00 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2oz1 h VAL 28 Cb 0.21 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2oz1 h VAL 28 CO 0.01 0.21 -0.14 -0.08 0.02 0.00 0.00 177.57 177.59 2oz1 h GLU 29 N -0.23 0.86 -0.73 1.57 4.57 -1.81 -2.86 114.58 115.95 2oz1 h GLU 29 Ca 0.01 -0.34 0.14 0.00 -1.18 0.00 0.00 59.36 57.99 2oz1 h GLU 29 Cb 0.34 -0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 28.75 2oz1 h GLU 29 CO 0.00 0.98 -0.25 0.78 -1.18 0.00 0.00 179.01 179.35 2oz1 h GLY 30 N 0.68 0.33 1.06 1.92 0.00 -0.50 0.40 103.07 106.96 2oz1 h GLY 30 Ca 0.10 0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2oz1 h GLY 30 CO 0.05 -0.26 0.10 -0.09 0.00 0.00 0.00 176.54 176.34 2oz1 h ARG 31 N -0.05 1.07 -0.39 4.80 2.43 -1.07 -2.54 114.38 118.63 2oz1 h ARG 31 Ca 0.33 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2oz1 h ARG 31 Cb 0.56 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2oz1 h ARG 31 CO -0.77 0.99 0.21 -0.09 -1.51 0.00 0.00 179.97 178.80 2oz1 h ARG 32 N 0.98 0.41 -0.21 0.20 2.43 -1.11 -2.83 114.38 114.26 2oz1 h ARG 32 Ca 0.20 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2oz1 h ARG 32 Cb 0.44 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2oz1 h ARG 32 CO 0.01 0.27 0.07 -0.07 -1.51 0.00 0.00 179.97 178.75 2oz1 h LEU 33 N 0.42 0.26 -1.02 3.80 3.38 -0.69 -2.32 115.31 119.15 2oz1 h LEU 33 Ca 0.16 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2oz1 h LEU 33 Cb 0.05 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 2oz1 h LEU 33 CO -0.10 0.25 0.63 0.24 0.09 0.00 0.00 178.44 179.55 2oz1 h MET 34 N 0.29 0.94 -0.01 1.13 2.86 -1.19 -2.66 114.93 116.28 2oz1 h MET 34 Ca 0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2oz1 h MET 34 Cb 0.08 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.53 2oz1 h MET 34 CO -0.01 0.62 -0.58 0.25 1.06 0.00 0.00 176.91 178.26 2oz1 n THR 35 N -4.63 0.00 -1.84 2.22 -2.24 -1.05 -1.69 114.28 105.04 2oz1 n THR 35 Ca 0.19 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 2oz1 n THR 35 Cb 0.38 1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 2oz1 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oz1 s ASP 36 N -2.58 5.54 0.62 3.42 -1.08 -0.90 -4.84 116.67 116.84 2oz1 s ASP 36 Ca 0.16 1.34 0.37 0.00 -0.52 0.00 0.00 52.55 53.90 2oz1 s ASP 36 Cb 0.18 -2.52 2.05 0.00 -1.46 0.00 0.00 42.92 41.17 2oz1 s ASP 36 CO 0.63 -1.99 2.28 -0.09 0.52 0.00 0.00 175.17 176.53 2oz1 h ARG 37 N 14.47 0.00 0.00 4.34 2.43 -1.90 -0.74 114.38 132.98 2oz1 h ARG 37 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2oz1 h ARG 37 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2oz1 h ARG 37 CO 1.05 0.01 -1.41 0.45 -1.51 0.00 0.00 179.97 178.56 2oz1 n SER 38 N -3.45 0.54 0.00 -3.80 2.88 -1.26 -4.61 113.62 103.92 2oz1 n SER 38 Ca -0.03 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 2oz1 n SER 38 Cb 0.10 1.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.93 2oz1 n SER 38 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2oz1 n VAL 39 N -1.88 0.00 0.00 2.46 0.31 -1.13 -4.95 118.33 113.14 2oz1 n VAL 39 Ca 0.00 0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.13 2oz1 n VAL 39 Cb 0.44 -0.71 -0.14 0.00 -0.91 0.00 0.00 33.84 32.52 2oz1 n VAL 39 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2oz1 h GLY 40 N 0.00 0.28 -5.20 2.92 0.00 -1.64 -3.46 103.07 95.98 2oz1 h GLY 40 Ca 0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 47.33 46.21 2oz1 h GLY 40 CO 0.00 0.63 -0.61 -2.01 0.00 0.00 0.00 176.54 174.55 2oz1 n ASN 41 N -3.81 -5.02 -0.12 0.19 5.15 -0.30 -4.87 115.26 106.49 2oz1 n ASN 41 Ca -0.28 -0.41 -0.02 0.00 -0.60 0.00 0.00 54.58 53.27 2oz1 n ASN 41 Cb 0.94 -4.07 0.21 0.00 -0.53 0.00 0.00 39.78 36.33 2oz1 n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2oz1 h ILE 43 N 0.77 0.00 -0.84 0.00 -2.65 -1.70 0.32 117.51 113.41 2oz1 h ILE 43 Ca 0.17 -0.34 0.12 0.00 1.03 0.00 0.00 64.86 65.84 2oz1 h ILE 43 Cb 0.27 1.30 -0.06 0.00 -2.05 0.00 0.00 36.82 36.28 2oz1 h ILE 43 CO -0.00 0.00 0.54 0.00 0.03 0.00 0.00 178.15 178.72 2oz1 h ALA 44 N 2.02 1.82 0.00 0.16 0.00 -1.77 0.33 119.26 121.82 2oz1 h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2oz1 h ALA 44 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oz1 h ALA 44 CO 0.00 -0.02 -0.85 0.00 0.00 0.00 0.00 179.25 178.38 2oz1 s HIS 46 N -2.02 2.22 0.03 0.00 3.76 0.01 -0.32 115.29 118.97 2oz1 s HIS 46 Ca -0.00 -0.51 -0.17 0.00 -0.15 0.00 0.00 55.06 54.23 2oz1 s HIS 46 Cb 0.04 -1.44 -0.06 0.00 1.11 0.00 0.00 32.58 32.22 2oz1 s HIS 46 CO 0.21 -0.10 0.47 -2.00 -0.85 0.00 0.00 174.74 172.48 2oz1 s GLU 47 N -0.41 4.04 -0.21 1.40 -6.30 -1.25 -4.19 118.70 111.78 2oz1 s GLU 47 Ca 0.05 0.54 -0.04 0.00 -2.50 0.00 0.00 54.97 53.01 2oz1 s GLU 47 Cb -0.11 -3.23 0.08 0.00 0.00 0.00 0.00 34.13 30.87 2oz1 s GLU 47 CO 0.01 0.66 0.12 0.08 0.02 0.00 0.00 175.26 176.14 2oz1 s VAL 48 N -1.05 -0.11 0.40 3.70 1.01 -1.26 -0.24 120.40 122.85 2oz1 s VAL 48 Ca 0.26 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.96 2oz1 s VAL 48 Cb -0.18 -0.71 0.25 0.00 0.00 0.00 0.00 36.38 35.74 2oz1 s VAL 48 CO 0.15 -0.41 2.03 0.71 0.00 0.00 0.00 175.10 177.58 2oz1 h THR 49 N 6.40 1.12 -1.00 3.92 1.35 -1.97 -0.34 112.91 122.40 2oz1 h THR 49 Ca -0.17 -0.30 0.28 0.00 -0.55 0.00 0.00 66.41 65.67 2oz1 h THR 49 Cb 1.11 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 68.06 2oz1 h THR 49 CO 0.33 0.13 0.70 -0.08 -0.25 0.00 0.00 175.52 176.36 2oz1 h GLU 50 N 0.54 0.09 -2.83 4.72 4.22 -1.99 -2.78 114.58 116.55 2oz1 h GLU 50 Ca 0.14 -0.01 -0.77 0.00 0.08 0.00 0.00 59.36 58.81 2oz1 h GLU 50 Cb 0.01 -0.02 -0.18 0.00 0.50 0.00 0.00 28.75 29.06 2oz1 h GLU 50 CO -0.02 0.06 1.83 -1.33 -2.18 0.00 0.00 179.01 177.36 2oz1 n MET 51 N -4.32 4.47 0.00 1.92 2.81 -0.14 -4.62 117.12 117.25 2oz1 n MET 51 Ca 0.21 -3.86 0.05 0.00 -1.81 0.00 0.00 57.70 52.30 2oz1 n MET 51 Cb 1.00 -2.66 0.23 0.00 -0.71 0.00 0.00 33.22 31.08 2oz1 n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2oz1 n ALA 52 N 1.92 1.53 0.14 3.04 0.00 -1.05 -0.53 120.51 125.54 2oz1 n ALA 52 Ca 0.48 -0.04 0.01 0.00 0.00 0.00 0.00 53.44 53.90 2oz1 n ALA 52 Cb 0.29 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.64 2oz1 n ALA 52 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2oz1 h ASP 53 N 0.00 0.00 -3.32 0.00 3.58 -1.88 -3.46 116.42 111.34 2oz1 h ASP 53 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 2oz1 h ASP 53 Cb 0.15 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 2oz1 h ASP 53 CO 0.00 0.57 0.37 0.00 -2.88 0.00 0.00 179.24 177.30 2oz1 s ALA 54 N -3.05 3.43 0.17 -0.78 0.00 0.31 -5.04 121.76 116.79 2oz1 s ALA 54 Ca 0.03 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2oz1 s ALA 54 Cb 0.09 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 2oz1 s ALA 54 CO 0.75 -0.50 0.49 -1.14 0.00 0.00 0.00 175.76 175.35 2oz1 s GLN 55 N 1.77 3.80 -0.90 0.00 0.74 -1.26 -4.50 119.66 119.31 2oz1 s GLN 55 Ca 0.41 0.23 -0.18 0.00 0.05 0.00 0.00 55.36 55.87 2oz1 s GLN 55 Cb -0.18 -2.81 0.03 0.00 1.10 0.00 0.00 33.01 31.15 2oz1 s GLN 55 CO 0.16 0.43 0.55 1.19 -0.55 0.00 0.00 175.29 177.07 2oz1 n PHE 56 N 0.31 -1.37 -2.24 1.67 3.01 -1.26 -4.92 117.46 112.66 2oz1 n PHE 56 Ca -0.03 0.30 -0.40 0.00 1.01 0.00 0.00 57.45 58.33 2oz1 n PHE 56 Cb 0.52 -2.32 -0.03 0.00 -0.01 0.00 0.00 39.48 37.64 2oz1 n PHE 56 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2oz1 s PRO 57 N -6.09 4.43 0.91 -1.08 0.04 -1.26 -4.81 135.00 127.13 2oz1 s PRO 57 Ca 0.25 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 2oz1 s PRO 57 Cb -0.14 -3.08 0.14 0.00 0.04 0.00 0.00 34.50 31.46 2oz1 s PRO 57 CO 0.80 -0.07 1.19 0.20 0.04 0.00 0.00 177.00 179.17 2oz1 s GLY 58 N -0.65 1.63 -0.01 0.56 0.00 0.12 -4.90 107.32 104.06 2oz1 s GLY 58 Ca 0.48 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.46 2oz1 s GLY 58 CO 0.48 -0.15 0.85 -1.30 0.00 0.00 0.00 173.10 172.99 2oz1 n THR 59 N -3.69 0.69 -0.03 0.90 -2.24 -1.24 -3.74 114.28 104.92 2oz1 n THR 59 Ca 0.10 -0.73 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 2oz1 n THR 59 Cb 0.60 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 2oz1 n THR 59 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2oz1 h VAL 60 N 1.51 1.37 -3.94 2.28 2.07 -1.81 -3.44 116.25 114.29 2oz1 h VAL 60 Ca 0.00 -1.23 -0.48 0.00 0.82 0.00 0.00 66.70 65.81 2oz1 h VAL 60 Cb 0.79 2.04 0.06 0.00 -1.52 0.00 0.00 31.29 32.66 2oz1 h VAL 60 CO 0.00 0.34 0.26 -0.83 0.02 0.00 0.00 177.57 177.36 2oz1 s GLY 61 N -3.31 1.61 0.59 2.17 0.00 0.57 -5.05 107.32 103.90 2oz1 s GLY 61 Ca -0.15 -0.56 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 2oz1 s GLY 61 CO 0.71 -0.25 1.06 2.56 0.00 0.00 0.00 173.10 177.18 2oz1 s PRO 62 N -5.11 3.32 0.27 2.90 0.04 -1.26 -4.70 135.00 130.46 2oz1 s PRO 62 Ca 0.55 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2oz1 s PRO 62 Cb -0.11 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 2oz1 s PRO 62 CO 0.47 -0.81 1.17 0.45 0.04 0.00 0.00 177.00 178.33 2oz1 n SER 63 N -1.97 1.90 -0.59 6.66 2.88 -1.26 -4.34 113.62 116.90 2oz1 n SER 63 Ca 0.09 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.93 2oz1 n SER 63 Cb 0.53 -1.34 0.43 0.00 -0.75 0.00 0.00 64.21 63.07 2oz1 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2oz1 n LEU 64 N 1.46 1.84 -4.65 2.46 4.77 0.67 -4.93 117.00 118.63 2oz1 n LEU 64 Ca 0.10 -0.63 -0.46 0.00 -0.03 0.00 0.00 56.01 54.99 2oz1 n LEU 64 Cb 0.31 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2oz1 n LEU 64 CO 0.61 0.31 1.04 0.47 -1.33 0.00 0.00 177.39 178.49 2oz1 n ASP 65 N 0.44 2.63 0.00 -1.43 8.00 -1.26 -2.18 116.55 122.75 2oz1 n ASP 65 Ca 0.18 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.80 2oz1 n ASP 65 Cb 0.41 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2oz1 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oz1 n GLY 66 N 2.59 0.39 0.30 0.44 0.00 -0.95 -4.92 105.19 103.05 2oz1 n GLY 66 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2oz1 n GLY 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2oz1 h VAL 67 N 0.00 1.18 0.00 1.61 3.04 -1.24 -1.11 116.25 119.73 2oz1 h VAL 67 Ca 0.00 -0.56 -0.07 0.00 -1.01 0.00 0.00 66.70 65.06 2oz1 h VAL 67 Cb 0.27 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2oz1 h VAL 67 CO 0.00 0.22 -0.35 0.00 -1.01 0.00 0.00 177.57 176.42 2oz1 h ALA 68 N 1.53 1.18 0.02 3.17 0.00 -1.42 -1.12 119.26 122.62 2oz1 h ALA 68 Ca 0.16 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 2oz1 h ALA 68 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2oz1 h ALA 68 CO -0.02 0.44 -0.95 0.00 0.00 0.00 0.00 179.25 178.73 2oz1 h ALA 69 N 1.65 0.41 0.03 0.00 0.00 -1.29 -3.37 119.26 116.69 2oz1 h ALA 69 Ca -0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 54.91 53.84 2oz1 h ALA 69 Cb 0.73 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2oz1 h ALA 69 CO 0.05 0.91 -1.82 2.89 0.00 0.00 0.00 179.25 181.28 2oz1 n ARG 70 N -3.65 0.66 -4.58 0.00 1.85 -0.86 -4.95 116.66 105.14 2oz1 n ARG 70 Ca -0.05 0.27 -0.32 0.00 -1.00 0.00 0.00 57.85 56.75 2oz1 n ARG 70 Cb 0.85 -1.76 -0.11 0.00 -1.05 0.00 0.00 32.46 30.39 2oz1 n ARG 70 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2oz1 s TYR 71 N -2.58 2.79 0.64 2.89 2.02 -0.43 -5.11 117.35 117.56 2oz1 s TYR 71 Ca -0.09 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 2oz1 s TYR 71 Cb 0.08 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2oz1 s TYR 71 CO 0.81 0.31 1.15 -1.25 -1.57 0.00 0.00 175.55 175.00 2oz1 s PRO 72 N -1.28 2.82 0.32 -1.71 0.04 -1.26 -4.61 135.00 129.31 2oz1 s PRO 72 Ca 0.15 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.84 2oz1 s PRO 72 Cb -0.11 -1.94 0.72 0.00 0.04 0.00 0.00 34.50 33.21 2oz1 s PRO 72 CO 0.06 -1.27 1.83 1.49 0.04 0.00 0.00 177.00 179.15 2oz1 h GLU 73 N 0.37 0.78 -0.63 4.56 4.81 -1.95 -0.98 114.58 121.53 2oz1 h GLU 73 Ca -0.48 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 2oz1 h GLU 73 Cb 1.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2oz1 h GLU 73 CO 0.54 0.52 0.28 0.00 -0.73 0.00 0.00 179.01 179.62 2oz1 h ALA 74 N 1.59 1.31 -0.27 2.92 0.00 -1.88 0.23 119.26 123.15 2oz1 h ALA 74 Ca 0.50 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 2oz1 h ALA 74 Cb 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2oz1 h ALA 74 CO -0.27 0.53 -0.54 1.98 0.00 0.00 0.00 179.25 180.95 2oz1 h MET 75 N 0.90 0.85 -0.11 0.00 1.85 -1.48 0.23 114.93 117.17 2oz1 h MET 75 Ca 0.22 -0.55 -0.01 0.00 -0.61 0.00 0.00 59.70 58.76 2oz1 h MET 75 Cb 0.13 0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.22 2oz1 h MET 75 CO -0.02 1.18 0.04 0.82 -0.40 0.00 0.00 176.91 178.52 2oz1 h ILE 76 N 0.62 1.15 -0.74 1.77 2.04 -1.01 -1.21 117.51 120.13 2oz1 h ILE 76 Ca 0.01 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.56 2oz1 h ILE 76 Cb 1.15 1.24 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 2oz1 h ILE 76 CO 0.12 0.13 0.32 -0.09 0.00 0.00 0.00 178.15 178.63 2oz1 h ARG 77 N 0.01 0.49 0.00 2.37 2.43 -0.57 -2.31 114.38 116.80 2oz1 h ARG 77 Ca 0.04 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2oz1 h ARG 77 Cb 0.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2oz1 h ARG 77 CO -0.00 0.32 -0.37 0.78 -1.51 0.00 0.00 179.97 179.19 2oz1 h GLY 78 N 0.50 0.00 1.73 2.80 0.00 -1.08 -0.39 103.07 106.63 2oz1 h GLY 78 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.63 2oz1 h GLY 78 CO -0.36 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 173.63 2oz1 h ILE 79 N 0.00 1.28 0.01 2.60 2.04 -0.66 -2.28 117.51 120.50 2oz1 h ILE 79 Ca -0.00 -1.36 -0.25 0.00 1.00 0.00 0.00 64.86 64.25 2oz1 h ILE 79 Cb 0.73 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 2oz1 h ILE 79 CO 0.05 0.41 -1.32 -0.07 0.00 0.00 0.00 178.15 177.22 2oz1 h LEU 80 N 0.27 0.02 0.54 1.44 3.38 -1.16 -2.27 115.31 117.52 2oz1 h LEU 80 Ca 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2oz1 h LEU 80 Cb 0.72 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2oz1 h LEU 80 CO 0.06 1.03 -0.26 0.58 0.09 0.00 0.00 178.44 179.93 2oz1 h VAL 81 N 0.00 0.00 -2.18 1.22 2.07 -1.07 -2.40 116.25 113.89 2oz1 h VAL 81 Ca -0.14 -0.37 -0.35 0.00 0.82 0.00 0.00 66.70 66.67 2oz1 h VAL 81 Cb 1.88 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 31.32 2oz1 h VAL 81 CO 0.11 0.00 -0.65 0.21 0.02 0.00 0.00 177.57 177.26 2oz1 s ASN 82 N -4.40 1.79 0.48 0.57 2.47 -0.86 -1.49 114.94 113.50 2oz1 s ASN 82 Ca -0.11 -0.89 0.25 0.00 0.42 0.00 0.00 52.86 52.54 2oz1 s ASN 82 Cb 0.01 0.44 1.30 0.00 -1.45 0.00 0.00 41.25 41.55 2oz1 s ASN 82 CO 0.32 -0.38 1.86 0.77 -3.72 0.00 0.00 177.10 175.95 2oz1 h SER 83 N 8.15 0.19 0.84 -4.21 4.64 -1.51 -1.91 113.55 119.74 2oz1 h SER 83 Ca -0.12 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2oz1 h SER 83 Cb 1.07 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2oz1 h SER 83 CO 0.33 0.07 -0.06 0.11 -0.87 0.00 0.00 176.83 176.41 2oz1 h LYS 84 N 0.19 0.00 -0.55 4.77 6.56 -1.85 -0.04 116.57 125.65 2oz1 h LYS 84 Ca 0.46 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.96 2oz1 h LYS 84 Cb 1.50 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.14 2oz1 h LYS 84 CO -0.10 0.06 -0.01 -0.91 -2.06 0.00 0.00 179.45 176.43 2oz1 h ASN 85 N 0.00 0.93 0.08 0.86 2.35 -1.67 -3.10 115.58 115.03 2oz1 h ASN 85 Ca -0.00 -0.26 -0.33 0.00 -0.55 0.00 0.00 56.30 55.16 2oz1 h ASN 85 Cb 0.49 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2oz1 h ASN 85 CO 0.01 1.00 -1.84 0.52 -1.65 0.00 0.00 177.43 175.46 2oz1 n VAL 86 N -4.19 1.69 -3.91 2.81 0.31 -0.94 -4.34 118.33 109.76 2oz1 n VAL 86 Ca 0.03 -0.47 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 2oz1 n VAL 86 Cb 0.34 -1.81 -0.14 0.00 -0.91 0.00 0.00 33.84 31.32 2oz1 n VAL 86 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2oz1 s PHE 87 N -2.50 3.01 0.40 3.52 0.40 -0.07 -5.04 117.98 117.70 2oz1 s PHE 87 Ca -0.26 -2.81 -0.27 0.00 -0.60 0.00 0.00 56.93 53.00 2oz1 s PHE 87 Cb 0.07 -2.57 -0.10 0.00 0.51 0.00 0.00 43.02 40.94 2oz1 s PHE 87 CO 0.70 -0.84 1.43 -2.14 0.70 0.00 0.00 175.22 175.07 2oz1 s PRO 88 N 0.50 3.95 -1.41 0.24 0.02 -1.17 -2.21 135.00 134.92 2oz1 s PRO 88 Ca 0.14 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.61 2oz1 s PRO 88 Cb -0.22 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.46 2oz1 s PRO 88 CO -0.06 -0.61 0.00 0.39 -0.33 0.00 0.00 177.00 176.39 2oz1 n GLU 89 N 0.21 -0.98 -1.80 5.54 1.02 -1.26 -5.00 120.64 118.36 2oz1 n GLU 89 Ca 0.03 0.93 -0.34 0.00 -0.02 0.00 0.00 57.16 57.76 2oz1 n GLU 89 Cb 0.41 -5.04 0.05 0.00 -0.02 0.00 0.00 31.44 26.83 2oz1 n GLU 89 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2oz1 s THR 90 N -2.54 3.07 -0.84 2.62 -1.32 -0.94 -4.94 115.64 110.75 2oz1 s THR 90 Ca 0.00 0.53 0.25 0.00 -1.21 0.00 0.00 61.69 61.26 2oz1 s THR 90 Cb 0.00 -3.08 0.04 0.00 -1.51 0.00 0.00 72.50 67.96 2oz1 s THR 90 CO 0.00 -0.27 1.41 1.33 -2.21 0.00 0.00 174.62 174.88 2oz1 n VAL 91 N -2.25 0.16 -1.82 5.08 0.24 -1.26 -4.87 118.33 113.61 2oz1 n VAL 91 Ca 0.11 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 2oz1 n VAL 91 Cb 0.51 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 2oz1 n VAL 91 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2oz1 s MET 92 N -3.08 4.16 0.92 7.34 -2.45 -1.26 -4.96 119.30 119.97 2oz1 s MET 92 Ca 0.09 2.44 -0.11 0.00 -1.25 0.00 0.00 55.69 56.86 2oz1 s MET 92 Cb 0.16 -3.93 0.11 0.00 1.25 0.00 0.00 34.83 32.41 2oz1 s MET 92 CO 0.70 -0.87 0.90 -2.30 1.05 0.00 0.00 175.02 174.49 2oz1 n PRO 93 N 6.81 -0.36 -3.45 4.11 -0.02 -1.26 -4.71 135.00 136.13 2oz1 n PRO 93 Ca 0.18 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 2oz1 n PRO 93 Cb 0.41 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 2oz1 n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oz1 s ALA 94 N -2.52 3.50 -0.82 3.55 0.00 -1.26 -4.39 121.76 119.82 2oz1 s ALA 94 Ca 0.64 -1.28 0.25 0.00 0.00 0.00 0.00 51.96 51.56 2oz1 s ALA 94 Cb -0.23 -2.77 0.42 0.00 0.00 0.00 0.00 23.12 20.54 2oz1 s ALA 94 CO 0.61 -1.05 1.36 0.66 0.00 0.00 0.00 175.76 177.33 2oz1 n TYR 95 N 5.28 0.26 -2.02 0.00 4.02 -0.91 -3.89 117.16 119.90 2oz1 n TYR 95 Ca -0.10 0.07 0.01 0.00 -0.01 0.00 0.00 57.90 57.87 2oz1 n TYR 95 Cb 0.49 -0.44 0.12 0.00 -0.02 0.00 0.00 39.34 39.49 2oz1 n TYR 95 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2oz1 n TYR 96 N -1.80 0.46 -4.27 -0.72 9.36 -0.56 -1.15 117.16 118.50 2oz1 n TYR 96 Ca 0.04 -1.35 -0.33 0.00 3.32 0.00 0.00 57.90 59.58 2oz1 n TYR 96 Cb 0.39 -0.23 -0.09 0.00 -0.63 0.00 0.00 39.34 38.78 2oz1 n TYR 96 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2oz1 s ARG 97 N -2.38 2.87 -0.01 2.98 1.81 -1.23 -4.68 118.95 118.31 2oz1 s ARG 97 Ca 0.38 -0.55 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 2oz1 s ARG 97 Cb 0.38 -2.73 0.02 0.00 -0.45 0.00 0.00 34.95 32.17 2oz1 s ARG 97 CO -0.08 0.64 0.85 1.33 -0.68 0.00 0.00 175.30 177.36 2oz1 n VAL 98 N 1.50 0.70 -4.13 3.52 0.24 -1.26 -4.43 118.33 114.47 2oz1 n VAL 98 Ca -0.15 -0.73 -0.11 0.00 -2.04 0.00 0.00 64.34 61.31 2oz1 n VAL 98 Cb 0.53 0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 2oz1 n VAL 98 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2oz1 s GLU 99 N -0.76 1.25 0.00 7.34 2.02 -1.26 -4.68 118.70 122.61 2oz1 s GLU 99 Ca 0.02 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.51 2oz1 s GLU 99 Cb 0.02 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.57 2oz1 s GLU 99 CO 0.00 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.26 2oz1 n GLY 100 N -0.27 1.19 3.50 -1.39 0.00 -1.26 -5.09 105.19 101.86 2oz1 n GLY 100 Ca -0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2oz1 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oz1 s PHE 101 N -2.00 2.72 -0.24 1.61 0.40 -1.26 -5.10 117.98 114.11 2oz1 s PHE 101 Ca 0.00 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.02 2oz1 s PHE 101 Cb 0.00 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.90 2oz1 s PHE 101 CO 0.00 0.24 0.47 -0.80 0.70 0.00 0.00 175.22 175.83 2oz1 s ASN 102 N -0.98 6.43 -1.20 1.36 0.01 -1.26 -4.51 114.94 114.79 2oz1 s ASN 102 Ca 0.13 0.51 -0.13 0.00 -0.71 0.00 0.00 52.86 52.66 2oz1 s ASN 102 Cb -0.11 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 2oz1 s ASN 102 CO 0.03 -0.20 0.74 0.54 -1.51 0.00 0.00 177.10 176.69 2oz1 n ARG 103 N 5.14 -2.28 -2.25 -0.60 1.74 -1.26 -4.94 116.66 112.21 2oz1 n ARG 103 Ca -0.06 0.52 -0.40 0.00 -0.77 0.00 0.00 57.85 57.14 2oz1 n ARG 103 Cb 0.50 -4.55 -0.03 0.00 -1.02 0.00 0.00 32.46 27.37 2oz1 n ARG 103 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2oz1 s PRO 104 N -5.89 4.39 0.41 5.56 0.04 -1.26 -5.04 135.00 133.21 2oz1 s PRO 104 Ca 0.32 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.47 2oz1 s PRO 104 Cb -0.10 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.32 2oz1 s PRO 104 CO 0.84 -0.09 0.04 0.20 0.04 0.00 0.00 177.00 178.03 2oz1 s GLY 105 N -0.71 2.49 -0.47 0.56 0.00 -1.26 -3.12 107.32 104.81 2oz1 s GLY 105 Ca 0.49 -2.24 -0.29 0.00 0.00 0.00 0.00 44.72 42.69 2oz1 s GLY 105 CO 0.47 -2.07 1.34 -0.42 0.00 0.00 0.00 173.10 172.43 2oz1 s ILE 106 N -2.69 3.94 0.00 0.90 1.01 0.14 -4.66 121.20 119.85 2oz1 s ILE 106 Ca 0.36 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2oz1 s ILE 106 Cb 0.09 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2oz1 s ILE 106 CO 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 174.94 174.19 2oz1 n ALA 107 N 8.78 0.00 -1.60 9.38 0.00 -1.26 -0.94 120.51 134.87 2oz1 n ALA 107 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 2oz1 n ALA 107 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.00 2oz1 n ALA 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2oz1 n PHE 108 N 14.00 2.98 1.02 0.00 3.01 -1.26 -4.61 117.46 132.60 2oz1 n PHE 108 Ca 0.00 -2.65 0.11 0.00 1.01 0.00 0.00 57.45 55.92 2oz1 n PHE 108 Cb 0.00 -0.98 0.02 0.00 -0.01 0.00 0.00 39.48 38.51 2oz1 n PHE 108 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2oz1 n THR 109 N -0.85 0.00 -0.81 4.37 -2.24 -0.12 -4.95 114.28 109.69 2oz1 n THR 109 Ca 0.55 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 2oz1 n THR 109 Cb 0.81 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 2oz1 n THR 109 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2oz1 n SER 110 N -0.99 -0.16 -4.78 3.42 7.64 -1.26 -5.00 113.62 112.49 2oz1 n SER 110 Ca 0.07 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.55 2oz1 n SER 110 Cb 0.37 -1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2oz1 n SER 110 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2oz1 s LYS 111 N -0.41 4.45 0.37 1.43 3.01 -1.26 -4.92 119.74 122.40 2oz1 s LYS 111 Ca 0.00 1.01 -0.28 0.00 -1.01 0.00 0.00 55.97 55.69 2oz1 s LYS 111 Cb 0.00 -3.27 -0.11 0.00 -1.01 0.00 0.00 37.83 33.43 2oz1 s LYS 111 CO 0.00 0.54 1.44 -2.30 0.51 0.00 0.00 175.35 175.54 2oz1 n PRO 112 N 1.85 2.54 -2.10 -1.68 -0.02 -1.26 0.27 135.00 134.61 2oz1 n PRO 112 Ca -0.07 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 2oz1 n PRO 112 Cb 0.50 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 2oz1 n PRO 112 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2oz1 s ILE 113 N -1.11 3.22 -0.21 4.25 1.01 -1.18 -4.56 121.20 122.61 2oz1 s ILE 113 Ca 0.54 0.80 -0.03 0.00 0.00 0.00 0.00 60.65 61.96 2oz1 s ILE 113 Cb -0.50 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 2oz1 s ILE 113 CO 0.63 0.04 -0.05 -1.61 0.00 0.00 0.00 174.94 173.95 2oz1 s GLU 114 N 1.67 3.37 1.97 2.79 2.02 -1.26 -4.98 118.70 124.28 2oz1 s GLU 114 Ca 0.67 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2oz1 s GLU 114 Cb -0.37 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2oz1 s GLU 114 CO 0.30 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.82 2oz1 n GLY 115 N 4.72 0.76 3.69 -1.39 0.00 -1.26 -4.95 105.19 106.76 2oz1 n GLY 115 Ca -0.18 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 2oz1 n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oz1 s GLU 116 N 0.00 4.35 0.06 1.61 2.12 -1.26 -5.03 118.70 120.55 2oz1 s GLU 116 Ca 0.00 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 55.93 2oz1 s GLU 116 Cb 0.00 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2oz1 s GLU 116 CO 0.00 -0.14 1.02 0.42 -0.54 0.00 0.00 175.26 176.02 2oz1 s ILE 117 N 1.52 4.52 0.14 -3.70 1.01 -1.26 -5.05 121.20 118.38 2oz1 s ILE 117 Ca 0.37 1.92 -0.12 0.00 0.00 0.00 0.00 60.65 62.81 2oz1 s ILE 117 Cb -0.17 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2oz1 s ILE 117 CO 0.15 0.21 0.51 -0.13 0.00 0.00 0.00 174.94 175.68 2oz1 s ARG 118 N 0.57 3.88 0.82 2.79 0.52 -1.26 -4.85 118.95 121.42 2oz1 s ARG 118 Ca 0.51 0.36 -0.12 0.00 -0.52 0.00 0.00 55.73 55.97 2oz1 s ARG 118 Cb -0.24 -2.90 0.09 0.00 0.52 0.00 0.00 34.95 32.42 2oz1 s ARG 118 CO 0.29 0.47 1.15 -1.25 0.02 0.00 0.00 175.30 175.98 2oz1 s PRO 119 N -2.11 1.70 0.43 3.54 0.04 -1.26 -4.91 135.00 132.43 2oz1 s PRO 119 Ca 0.38 1.50 0.10 0.00 0.04 0.00 0.00 61.00 63.02 2oz1 s PRO 119 Cb -0.14 -1.81 0.96 0.00 0.04 0.00 0.00 34.50 33.55 2oz1 s PRO 119 CO 0.19 -2.12 2.05 -0.07 0.04 0.00 0.00 177.00 177.09 2oz1 h LEU 120 N -1.20 0.38 -8.48 -3.56 3.38 -1.72 -3.43 115.31 100.69 2oz1 h LEU 120 Ca -0.44 -0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.11 2oz1 h LEU 120 Cb 1.26 -0.09 -0.20 0.00 0.09 0.00 0.00 40.66 41.72 2oz1 h LEU 120 CO 0.47 0.26 -0.77 -0.04 0.09 0.00 0.00 178.44 178.45 2oz1 s MET 121 N -5.41 0.89 0.71 1.13 -1.94 -0.30 -4.87 119.30 109.51 2oz1 s MET 121 Ca -0.08 -1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 52.72 2oz1 s MET 121 Cb 0.18 -0.84 0.02 0.00 2.01 0.00 0.00 34.83 36.20 2oz1 s MET 121 CO 0.73 0.17 1.10 0.95 -0.01 0.00 0.00 175.02 177.97 2oz1 s THR 122 N -1.64 3.37 0.15 2.05 -4.23 -1.26 -4.71 115.64 109.37 2oz1 s THR 122 Ca 0.02 0.44 -0.17 0.00 -1.18 0.00 0.00 61.69 60.80 2oz1 s THR 122 Cb -0.08 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.37 2oz1 s THR 122 CO 0.02 -0.58 1.70 0.00 -0.54 0.00 0.00 174.62 175.22 2oz1 h ALA 123 N -0.68 0.28 -0.77 3.99 0.00 -1.91 -0.73 119.26 119.43 2oz1 h ALA 123 Ca -0.45 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.64 2oz1 h ALA 123 Cb 1.26 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 2oz1 h ALA 123 CO 0.64 -0.42 0.44 0.78 0.00 0.00 0.00 179.25 180.69 2oz1 h GLY 124 N 0.06 1.16 0.87 0.00 0.00 -1.94 -0.99 103.07 102.23 2oz1 h GLY 124 Ca 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2oz1 h GLY 124 CO -0.30 0.16 0.04 1.46 0.00 0.00 0.00 176.54 177.90 2oz1 h GLN 125 N 0.77 0.17 -0.39 4.80 4.20 -1.80 -1.19 115.11 121.67 2oz1 h GLN 125 Ca 0.36 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.09 2oz1 h GLN 125 Cb 0.27 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2oz1 h GLN 125 CO -0.22 0.27 0.08 0.82 -0.67 0.00 0.00 178.83 179.12 2oz1 h ILE 126 N 0.02 0.81 -0.20 2.54 2.04 -1.00 -1.92 117.51 119.81 2oz1 h ILE 126 Ca 0.04 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 2oz1 h ILE 126 Cb 0.17 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2oz1 h ILE 126 CO -0.00 0.04 -0.22 -0.33 0.00 0.00 0.00 178.15 177.64 2oz1 h GLU 127 N 0.21 0.35 -0.52 2.37 4.39 -1.03 0.22 114.58 120.57 2oz1 h GLU 127 Ca 0.19 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2oz1 h GLU 127 Cb 0.22 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2oz1 h GLU 127 CO -0.24 0.56 0.22 -0.44 -1.16 0.00 0.00 179.01 177.95 2oz1 h ASP 128 N 0.32 0.71 -0.06 1.42 3.32 -1.05 -1.61 116.42 119.46 2oz1 h ASP 128 Ca 0.05 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2oz1 h ASP 128 Cb 0.57 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2oz1 h ASP 128 CO 0.04 0.67 -0.05 0.58 -1.72 0.00 0.00 179.24 178.75 2oz1 h VAL 129 N 0.70 1.36 -0.74 -1.35 2.07 -0.78 -2.13 116.25 115.39 2oz1 h VAL 129 Ca 0.18 -1.17 0.17 0.00 0.82 0.00 0.00 66.70 66.69 2oz1 h VAL 129 Cb 0.17 2.01 -0.13 0.00 -1.52 0.00 0.00 31.29 31.82 2oz1 h VAL 129 CO -0.02 0.32 0.00 0.58 0.02 0.00 0.00 177.57 178.48 2oz1 h VAL 130 N -0.27 0.36 -0.72 2.57 2.07 -0.62 -0.43 116.25 119.21 2oz1 h VAL 130 Ca 0.01 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 2oz1 h VAL 130 Cb 0.55 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2oz1 h VAL 130 CO 0.01 0.02 0.25 0.00 0.02 0.00 0.00 177.57 177.88 2oz1 h ALA 131 N 1.69 0.94 -0.34 1.67 0.00 -1.07 -1.18 119.26 120.97 2oz1 h ALA 131 Ca 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2oz1 h ALA 131 Cb 0.69 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2oz1 h ALA 131 CO -0.65 0.59 0.17 -0.92 0.00 0.00 0.00 179.25 178.45 2oz1 h TYR 132 N 1.05 0.48 0.00 0.00 3.20 -0.80 -3.03 116.97 117.87 2oz1 h TYR 132 Ca 0.24 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2oz1 h TYR 132 Cb 0.26 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2oz1 h TYR 132 CO 0.02 0.40 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.84 2oz1 h LEU 133 N 0.42 0.00 0.00 2.82 3.38 -0.44 -0.92 115.31 120.56 2oz1 h LEU 133 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2oz1 h LEU 133 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2oz1 h LEU 133 CO -0.02 0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.77 2oz1 n MET 134 N -4.00 0.37 0.00 1.13 2.81 -0.51 -2.52 117.12 114.40 2oz1 n MET 134 Ca -0.03 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.02 2oz1 n MET 134 Cb 0.11 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.40 2oz1 n MET 134 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2oz1 n THR 135 N -1.29 0.00 -2.86 2.03 -2.24 -0.35 -4.66 114.28 104.91 2oz1 n THR 135 Ca 0.12 -0.05 -0.44 0.00 -2.27 0.00 0.00 64.05 61.42 2oz1 n THR 135 Cb 0.22 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2oz1 n THR 135 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2oz1 n LEU 136 N -1.17 5.63 -0.01 3.22 4.77 -1.05 -4.72 117.00 123.67 2oz1 n LEU 136 Ca 0.08 -4.61 0.09 0.00 -0.03 0.00 0.00 56.01 51.54 2oz1 n LEU 136 Cb 0.34 -1.55 -0.10 0.00 -2.33 0.00 0.00 43.42 39.77 2oz1 n LEU 136 CO 0.32 1.00 -0.03 0.35 -1.33 0.00 0.00 177.39 177.69 2oz1 n THR 137 N 3.92 0.00 -1.54 -5.08 -2.24 -1.26 -1.66 114.28 106.43 2oz1 n THR 137 Ca 0.35 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2oz1 n THR 137 Cb 0.40 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 2oz1 n THR 137 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17