#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 0.59 -0.29 0.00 2.02 -1.26 -2.82 118.70 116.94 2oz1 s GLU 2 Ca 0.00 -0.32 -0.19 0.00 0.02 0.00 0.00 54.97 54.48 2oz1 s GLU 2 Cb 0.00 -0.55 -0.02 0.00 0.10 0.00 0.00 34.13 33.66 2oz1 s GLU 2 CO 0.00 0.15 0.57 0.08 0.02 0.00 0.00 175.26 176.08 2oz1 s VAL 3 N -0.30 5.01 0.55 2.63 1.01 0.18 -4.99 120.40 124.49 2oz1 s VAL 3 Ca 0.02 0.82 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 2oz1 s VAL 3 Cb -0.04 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 2oz1 s VAL 3 CO -0.00 -0.04 1.17 0.00 0.00 0.00 0.00 175.10 176.22 2oz1 s ALA 4 N 2.45 2.66 0.31 5.51 0.00 -1.26 -4.87 121.76 126.57 2oz1 s ALA 4 Ca 0.23 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.19 2oz1 s ALA 4 Cb -0.15 -3.40 0.90 0.00 0.00 0.00 0.00 23.12 20.46 2oz1 s ALA 4 CO 0.11 -0.92 1.67 -1.35 0.00 0.00 0.00 175.76 175.26 2oz1 h PRO 5 N 1.16 0.30 0.00 0.00 0.11 -1.98 0.18 132.00 131.78 2oz1 h PRO 5 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2oz1 h PRO 5 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2oz1 h PRO 5 CO 0.56 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.97 2oz1 n GLY 6 N -1.33 -1.38 0.81 -0.55 0.00 -1.26 -3.44 105.19 98.04 2oz1 n GLY 6 Ca 0.27 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.75 2.89 -4.74 1.61 8.00 0.63 -4.99 116.55 118.20 2oz1 n ASP 7 Ca 0.05 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.29 2oz1 n ASP 7 Cb 0.30 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.20 3.64 -0.28 2.53 1.01 -1.11 -4.85 120.40 120.13 2oz1 s VAL 8 Ca 0.27 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.45 2oz1 s VAL 8 Cb 0.16 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2oz1 s VAL 8 CO 0.22 0.21 0.47 0.00 0.00 0.00 0.00 175.10 176.00 2oz1 s ALA 9 N 0.02 3.56 -0.10 5.51 0.00 -1.26 -5.06 121.76 124.43 2oz1 s ALA 9 Ca 0.53 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.77 2oz1 s ALA 9 Cb -0.32 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2oz1 s ALA 9 CO 0.36 -0.81 -0.22 0.42 0.00 0.00 0.00 175.76 175.50 2oz1 s ILE 10 N 2.25 1.96 0.00 0.00 1.01 -1.26 -4.52 121.20 120.63 2oz1 s ILE 10 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2oz1 s ILE 10 Cb -0.16 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2oz1 s ILE 10 CO 0.10 0.54 0.00 -0.90 0.00 0.00 0.00 174.94 174.68 2oz1 n ASP 11 N 3.62 0.00 0.05 3.58 5.68 -0.43 -4.91 116.55 124.14 2oz1 n ASP 11 Ca -0.19 -0.98 0.10 0.00 -0.50 0.00 0.00 54.79 53.22 2oz1 n ASP 11 Cb 0.53 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.93 2oz1 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oz1 n GLY 12 N 5.00 -1.23 0.84 6.12 0.00 -1.26 -2.71 105.19 111.95 2oz1 n GLY 12 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2oz1 n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oz1 n GLN 13 N -1.80 1.90 -0.79 1.61 1.13 -1.26 -4.95 117.38 113.23 2oz1 n GLN 13 Ca 0.04 -1.81 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 2oz1 n GLN 13 Cb 0.24 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.20 2oz1 n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oz1 n GLY 14 N 1.13 0.69 3.74 1.08 0.00 -1.10 -4.40 105.19 106.34 2oz1 n GLY 14 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.48 3.78 -0.30 1.61 3.76 -1.26 -4.18 115.29 116.22 2oz1 s HIS 15 Ca 0.00 1.77 0.03 0.00 -0.15 0.00 0.00 55.06 56.71 2oz1 s HIS 15 Cb 0.00 -3.12 0.08 0.00 1.11 0.00 0.00 32.58 30.65 2oz1 s HIS 15 CO 0.00 -0.03 -0.02 0.08 -0.85 0.00 0.00 174.74 173.92 2oz1 s VAL 16 N -0.65 2.10 0.10 -0.90 1.01 0.11 -1.32 120.40 120.86 2oz1 s VAL 16 Ca 0.45 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 2oz1 s VAL 16 Cb -0.27 -2.40 -0.23 0.00 0.00 0.00 0.00 36.38 33.48 2oz1 s VAL 16 CO 0.34 -0.34 1.22 0.00 0.00 0.00 0.00 175.10 176.32 2oz1 h ALA 17 N 7.73 0.22 -2.72 5.51 0.00 -1.80 -3.40 119.26 124.79 2oz1 h ALA 17 Ca -0.11 -0.76 -0.57 0.00 0.00 0.00 0.00 54.91 53.46 2oz1 h ALA 17 Cb 1.03 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2oz1 h ALA 17 CO 0.48 0.83 -0.00 1.03 0.00 0.00 0.00 179.25 181.59 2oz1 s ARG 18 N -3.06 4.30 0.90 0.00 1.81 -1.26 -4.89 118.95 116.75 2oz1 s ARG 18 Ca -0.06 0.78 -0.10 0.00 -1.72 0.00 0.00 55.73 54.62 2oz1 s ARG 18 Cb 0.08 -3.30 0.14 0.00 -0.45 0.00 0.00 34.95 31.42 2oz1 s ARG 18 CO 0.89 0.48 1.14 -2.14 -0.68 0.00 0.00 175.30 174.98 2oz1 s PRO 19 N -0.58 1.12 0.30 3.54 0.02 -1.26 -4.94 135.00 133.19 2oz1 s PRO 19 Ca 0.31 1.48 0.19 0.00 0.02 0.00 0.00 61.00 63.00 2oz1 s PRO 19 Cb -0.19 -1.74 0.12 0.00 0.02 0.00 0.00 34.50 32.71 2oz1 s PRO 19 CO 0.19 -2.54 1.36 -0.07 -0.33 0.00 0.00 177.00 175.61 2oz1 h LEU 20 N -1.80 0.00 -8.33 -5.54 3.38 -1.91 -3.45 115.31 97.67 2oz1 h LEU 20 Ca -0.44 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.29 2oz1 h LEU 20 Cb 1.27 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2oz1 h LEU 20 CO 0.43 0.26 -0.71 0.28 0.09 0.00 0.00 178.44 178.79 2oz1 s THR 21 N -3.10 0.62 -2.45 0.22 -1.32 -1.26 0.50 115.64 108.85 2oz1 s THR 21 Ca 0.03 -1.59 0.24 0.00 -1.21 0.00 0.00 61.69 59.16 2oz1 s THR 21 Cb 0.07 -1.25 0.14 0.00 -1.51 0.00 0.00 72.50 69.95 2oz1 s THR 21 CO 0.73 -0.68 1.25 -0.90 -2.21 0.00 0.00 174.62 172.81 2oz1 n ASP 22 N 0.57 2.32 -4.75 8.08 5.68 -1.13 -4.90 116.55 122.42 2oz1 n ASP 22 Ca -0.16 -1.67 -0.41 0.00 -0.50 0.00 0.00 54.79 52.04 2oz1 n ASP 22 Cb 0.58 0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.76 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 -2.25 3.62 0.49 2.12 0.00 -1.26 -4.95 121.76 119.53 2oz1 s ALA 23 Ca 0.24 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 53.32 2oz1 s ALA 23 Cb 0.19 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 2oz1 s ALA 23 CO 0.44 -0.76 1.29 -1.25 0.00 0.00 0.00 175.76 175.47 2oz1 s PRO 24 N -0.60 3.53 -0.16 0.00 0.04 -1.26 -4.93 135.00 131.62 2oz1 s PRO 24 Ca 0.58 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2oz1 s PRO 24 Cb -0.42 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 2oz1 s PRO 24 CO 0.45 -0.83 1.28 0.20 0.04 0.00 0.00 177.00 178.15 2oz1 s GLY 25 N -1.02 1.64 -0.52 0.56 0.00 -1.26 -4.85 107.32 101.86 2oz1 s GLY 25 Ca 0.66 0.48 -0.24 0.00 0.00 0.00 0.00 44.72 45.61 2oz1 s GLY 25 CO 0.44 2.52 0.93 -0.35 0.00 0.00 0.00 173.10 176.64 2oz1 s ASP 26 N 2.04 6.39 0.38 1.64 2.15 -1.26 -4.84 116.67 123.17 2oz1 s ASP 26 Ca 0.56 -0.21 0.11 0.00 0.43 0.00 0.00 52.55 53.43 2oz1 s ASP 26 Cb -0.22 -2.44 0.77 0.00 -0.30 0.00 0.00 42.92 40.73 2oz1 s ASP 26 CO 0.15 -1.16 1.88 -0.65 -0.17 0.00 0.00 175.17 175.23 2oz1 h PRO 27 N 9.23 0.13 -0.18 4.34 0.11 -1.86 -1.85 132.00 141.92 2oz1 h PRO 27 Ca -0.25 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2oz1 h PRO 27 Cb 1.07 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2oz1 h PRO 27 CO 1.06 0.36 -0.09 0.28 -0.21 0.00 0.00 178.00 179.41 2oz1 h VAL 28 N 0.12 1.31 0.00 3.15 2.07 -1.91 -3.03 116.25 117.96 2oz1 h VAL 28 Ca 0.02 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 2oz1 h VAL 28 Cb 0.49 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2oz1 h VAL 28 CO 0.03 0.34 -0.50 -0.08 0.02 0.00 0.00 177.57 177.39 2oz1 h GLU 29 N 0.05 0.00 -0.72 1.57 4.57 -1.85 -3.20 114.58 115.00 2oz1 h GLU 29 Ca 0.04 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2oz1 h GLU 29 Cb 0.57 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 2oz1 h GLU 29 CO 0.03 0.50 0.25 0.78 -1.18 0.00 0.00 179.01 179.38 2oz1 h GLY 30 N 1.65 1.18 0.07 1.92 0.00 -1.32 -2.40 103.07 104.17 2oz1 h GLY 30 Ca -0.00 -0.68 0.14 0.00 0.00 0.00 0.00 47.33 46.78 2oz1 h GLY 30 CO 0.06 0.64 0.19 -0.09 0.00 0.00 0.00 176.54 177.35 2oz1 h ARG 31 N 1.05 0.30 -0.08 4.80 2.43 -1.53 -2.85 114.38 118.50 2oz1 h ARG 31 Ca 0.23 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2oz1 h ARG 31 Cb 0.27 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2oz1 h ARG 31 CO -0.01 0.20 0.03 -0.09 -1.51 0.00 0.00 179.97 178.59 2oz1 h ARG 32 N 0.31 0.12 0.00 0.20 2.43 -1.49 -3.15 114.38 112.81 2oz1 h ARG 32 Ca 0.38 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 2oz1 h ARG 32 Cb 0.60 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2oz1 h ARG 32 CO -0.45 0.24 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.16 2oz1 h LEU 33 N -0.03 0.00 -0.55 3.80 3.38 -1.22 -2.59 115.31 118.10 2oz1 h LEU 33 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2oz1 h LEU 33 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2oz1 h LEU 33 CO -0.00 0.02 -0.01 0.24 0.09 0.00 0.00 178.44 178.79 2oz1 h MET 34 N 0.00 0.00 0.00 1.13 2.86 -1.47 -2.54 114.93 114.91 2oz1 h MET 34 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2oz1 h MET 34 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2oz1 h MET 34 CO 0.00 0.01 -1.49 0.25 1.06 0.00 0.00 176.91 176.74 2oz1 n THR 35 N -3.10 0.09 -2.62 2.22 -2.24 -0.98 -1.16 114.28 106.49 2oz1 n THR 35 Ca 0.03 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 2oz1 n THR 35 Cb 0.45 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 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 -4.13 6.98 0.46 3.42 -1.08 -1.20 -4.84 116.67 116.28 2oz1 s ASP 36 Ca -0.01 1.23 0.17 0.00 -0.52 0.00 0.00 52.55 53.41 2oz1 s ASP 36 Cb 0.14 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 40.16 2oz1 s ASP 36 CO 0.87 -0.81 2.02 -0.09 0.52 0.00 0.00 175.17 177.68 2oz1 h ARG 37 N 7.95 0.00 0.00 4.34 2.43 -1.90 0.44 114.38 127.64 2oz1 h ARG 37 Ca -0.21 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2oz1 h ARG 37 Cb 1.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2oz1 h ARG 37 CO 1.01 0.16 -0.01 1.03 -1.51 0.00 0.00 179.97 180.65 2oz1 h SER 38 N 0.00 0.00 0.00 -3.80 0.87 -1.94 -3.39 113.55 105.30 2oz1 h SER 38 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2oz1 h SER 38 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2oz1 h SER 38 CO 0.02 0.01 0.00 0.52 -0.53 0.00 0.00 176.83 176.85 2oz1 n VAL 39 N -3.10 0.00 -0.09 2.23 0.31 -0.81 -4.96 118.33 111.91 2oz1 n VAL 39 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 2oz1 n VAL 39 Cb 0.37 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 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 0.96 -6.70 2.92 0.00 -1.30 -3.46 103.07 95.48 2oz1 h GLY 40 Ca 0.00 -1.08 -0.54 0.00 0.00 0.00 0.00 47.33 45.70 2oz1 h GLY 40 CO 0.00 0.97 -0.86 -2.01 0.00 0.00 0.00 176.54 174.65 2oz1 n ASN 41 N -4.05 -2.29 -0.07 0.19 5.15 0.08 -4.91 115.26 109.36 2oz1 n ASN 41 Ca -0.04 -1.03 -0.14 0.00 -0.60 0.00 0.00 54.58 52.77 2oz1 n ASN 41 Cb 0.60 -2.77 -0.06 0.00 -0.53 0.00 0.00 39.78 37.02 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 0.34 0.87 -0.36 0.00 -0.00 -1.67 -0.74 117.51 115.97 2oz1 h ILE 43 Ca 0.01 -0.22 0.10 0.00 -0.00 0.00 0.00 64.86 64.76 2oz1 h ILE 43 Cb 0.98 0.18 -0.01 0.00 -0.00 0.00 0.00 36.82 37.96 2oz1 h ILE 43 CO 0.09 0.12 0.47 0.00 -0.00 0.00 0.00 178.15 178.83 2oz1 h ALA 44 N 1.61 2.01 0.00 0.16 0.00 -1.87 0.35 119.26 121.52 2oz1 h ALA 44 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2oz1 h ALA 44 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2oz1 h ALA 44 CO -0.16 -0.66 -0.86 0.00 0.00 0.00 0.00 179.25 177.57 2oz1 s HIS 46 N -1.76 1.93 0.03 0.00 3.76 -0.35 -0.85 115.29 118.04 2oz1 s HIS 46 Ca 0.00 -0.57 -0.27 0.00 -0.15 0.00 0.00 55.06 54.07 2oz1 s HIS 46 Cb 0.00 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 2oz1 s HIS 46 CO 0.00 -0.19 0.84 -2.00 -0.85 0.00 0.00 174.74 172.54 2oz1 s GLU 47 N 0.01 4.54 -0.28 1.40 2.12 -1.25 -4.23 118.70 121.02 2oz1 s GLU 47 Ca -0.04 1.19 -0.01 0.00 0.36 0.00 0.00 54.97 56.47 2oz1 s GLU 47 Cb -0.12 -3.40 0.09 0.00 0.26 0.00 0.00 34.13 30.95 2oz1 s GLU 47 CO 0.03 0.16 0.06 0.08 -0.54 0.00 0.00 175.26 175.05 2oz1 s VAL 48 N 0.33 0.94 0.61 3.70 1.01 -1.26 0.08 120.40 125.80 2oz1 s VAL 48 Ca 0.43 -1.23 0.35 0.00 0.00 0.00 0.00 61.98 61.53 2oz1 s VAL 48 Cb -0.21 -1.58 0.39 0.00 0.00 0.00 0.00 36.38 34.97 2oz1 s VAL 48 CO 0.25 -0.50 2.29 0.00 0.00 0.00 0.00 175.10 177.14 2oz1 h THR 49 N 6.52 0.35 -0.21 3.92 1.03 -1.97 -2.92 112.91 119.63 2oz1 h THR 49 Ca -0.14 -0.02 -0.20 0.00 -0.01 0.00 0.00 66.41 66.04 2oz1 h THR 49 Cb 1.05 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.14 2oz1 h THR 49 CO 0.44 0.00 -0.66 -0.08 -0.01 0.00 0.00 175.52 175.21 2oz1 h GLU 50 N 0.00 0.79 -0.63 0.00 4.22 -2.02 -3.34 114.58 113.60 2oz1 h GLU 50 Ca -0.00 -0.57 -0.01 0.00 0.08 0.00 0.00 59.36 58.86 2oz1 h GLU 50 Cb 0.01 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2oz1 h GLU 50 CO 0.00 1.19 0.35 0.52 -2.18 0.00 0.00 179.01 178.89 2oz1 h MET 51 N 0.57 0.88 -6.51 1.92 2.86 -1.96 -3.54 114.93 109.15 2oz1 h MET 51 Ca -0.02 -0.10 -0.32 0.00 -2.06 0.00 0.00 59.70 57.20 2oz1 h MET 51 Cb 1.27 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 32.77 2oz1 h MET 51 CO 0.14 0.66 -1.18 0.00 1.06 0.00 0.00 176.91 177.59 2oz1 n ALA 52 N -2.32 -2.25 -3.17 6.32 0.00 -1.26 -5.19 120.51 112.64 2oz1 n ALA 52 Ca 0.05 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.83 2oz1 n ALA 52 Cb 0.08 -1.97 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 2oz1 n ALA 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2oz1 s GLN 55 N -2.21 0.23 -0.96 0.00 0.74 -1.26 -5.19 119.66 111.01 2oz1 s GLN 55 Ca 0.32 0.43 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 2oz1 s GLN 55 Cb -0.03 0.24 -0.06 0.00 1.10 0.00 0.00 33.01 34.26 2oz1 s GLN 55 CO 0.73 -0.24 0.84 1.19 -0.55 0.00 0.00 175.29 177.27 2oz1 n PHE 56 N 5.41 -2.22 -2.35 1.67 3.01 -1.26 -5.01 117.46 116.71 2oz1 n PHE 56 Ca -0.07 0.79 -0.34 0.00 1.01 0.00 0.00 57.45 58.84 2oz1 n PHE 56 Cb 0.53 -4.04 -0.01 0.00 -0.01 0.00 0.00 39.48 35.95 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 -4.33 3.55 0.91 -1.08 0.04 -1.26 -4.84 135.00 127.98 2oz1 s PRO 57 Ca 0.39 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 2oz1 s PRO 57 Cb -0.05 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 32.57 2oz1 s PRO 57 CO 0.67 -0.65 1.13 0.20 0.04 0.00 0.00 177.00 178.40 2oz1 s GLY 58 N -2.07 1.58 -0.03 0.56 0.00 0.12 -4.86 107.32 102.61 2oz1 s GLY 58 Ca 0.68 -0.51 0.05 0.00 0.00 0.00 0.00 44.72 44.94 2oz1 s GLY 58 CO 0.26 0.05 0.95 -1.30 0.00 0.00 0.00 173.10 173.05 2oz1 n THR 59 N -3.76 0.95 0.03 0.90 -2.24 -1.24 -3.74 114.28 105.19 2oz1 n THR 59 Ca 0.06 -1.05 -0.13 0.00 -2.27 0.00 0.00 64.05 60.67 2oz1 n THR 59 Cb 0.59 0.40 -0.09 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.20 1.18 -3.53 2.28 2.07 -1.83 -3.44 116.25 114.18 2oz1 h VAL 60 Ca 0.00 -0.86 -0.49 0.00 0.82 0.00 0.00 66.70 66.17 2oz1 h VAL 60 Cb 0.80 1.74 0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2oz1 h VAL 60 CO 0.00 0.21 0.09 -0.83 0.02 0.00 0.00 177.57 177.06 2oz1 s GLY 61 N -2.94 1.55 0.74 2.17 0.00 -0.03 -5.06 107.32 103.74 2oz1 s GLY 61 Ca -0.15 -0.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2oz1 s GLY 61 CO 0.64 -0.34 1.08 2.56 0.00 0.00 0.00 173.10 177.05 2oz1 s PRO 62 N -4.58 2.51 0.28 2.90 0.04 -1.26 -4.56 135.00 130.33 2oz1 s PRO 62 Ca 0.47 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 2oz1 s PRO 62 Cb -0.10 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 2oz1 s PRO 62 CO 0.42 -1.44 1.33 0.45 0.04 0.00 0.00 177.00 177.80 2oz1 n SER 63 N -3.29 2.63 -0.49 6.66 2.88 -1.26 -4.12 113.62 116.63 2oz1 n SER 63 Ca 0.09 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.92 2oz1 n SER 63 Cb 0.53 -1.44 0.23 0.00 -0.75 0.00 0.00 64.21 62.79 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 1.52 1.76 -4.55 2.46 4.77 0.11 -4.90 117.00 118.18 2oz1 n LEU 64 Ca 0.09 -0.59 -0.56 0.00 -0.03 0.00 0.00 56.01 54.92 2oz1 n LEU 64 Cb 0.33 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2oz1 n LEU 64 CO 0.62 0.31 0.73 0.47 -1.33 0.00 0.00 177.39 178.20 2oz1 n ASP 65 N 0.03 0.76 -1.46 -1.43 8.00 -1.25 -1.46 116.55 119.73 2oz1 n ASP 65 Ca 0.13 1.14 -0.18 0.00 0.71 0.00 0.00 54.79 56.59 2oz1 n ASP 65 Cb 0.43 -1.04 -0.07 0.00 -0.02 0.00 0.00 41.12 40.42 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 2.02 1.55 0.20 0.44 0.00 -1.17 -4.90 105.19 103.32 2oz1 n GLY 66 Ca 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 1.24 0.00 1.61 3.04 -1.07 -1.89 116.25 119.18 2oz1 h VAL 67 Ca -0.38 -1.16 -0.03 0.00 -1.01 0.00 0.00 66.70 64.13 2oz1 h VAL 67 Cb 1.20 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 32.01 2oz1 h VAL 67 CO 0.54 0.34 -0.12 0.00 -1.01 0.00 0.00 177.57 177.32 2oz1 h ALA 68 N 1.59 1.55 0.00 3.17 0.00 -1.59 -0.15 119.26 123.83 2oz1 h ALA 68 Ca 0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2oz1 h ALA 68 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2oz1 h ALA 68 CO 0.04 0.15 -0.79 0.00 0.00 0.00 0.00 179.25 178.66 2oz1 h ALA 69 N 1.88 0.59 0.00 0.00 0.00 -1.46 -3.35 119.26 116.93 2oz1 h ALA 69 Ca -0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 54.91 53.91 2oz1 h ALA 69 Cb 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2oz1 h ALA 69 CO 0.02 0.98 -2.14 2.89 0.00 0.00 0.00 179.25 180.99 2oz1 n ARG 70 N -3.45 0.67 -5.17 0.00 1.85 -1.06 -4.99 116.66 104.51 2oz1 n ARG 70 Ca 0.00 0.02 -0.31 0.00 -1.00 0.00 0.00 57.85 56.57 2oz1 n ARG 70 Cb 0.80 -1.58 -0.16 0.00 -1.05 0.00 0.00 32.46 30.47 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 -2.70 2.33 0.72 2.89 2.02 -0.09 -5.13 117.35 117.39 2oz1 s TYR 71 Ca -0.08 -0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 56.03 2oz1 s TYR 71 Cb 0.08 -1.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.21 2oz1 s TYR 71 CO 0.84 0.02 1.24 -2.14 -1.57 0.00 0.00 175.55 173.94 2oz1 s PRO 72 N -0.83 2.13 0.27 -1.71 0.02 -1.26 -4.57 135.00 129.05 2oz1 s PRO 72 Ca 0.11 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 62.98 2oz1 s PRO 72 Cb -0.10 -1.82 0.46 0.00 0.02 0.00 0.00 34.50 33.06 2oz1 s PRO 72 CO 0.00 -1.87 1.85 1.49 -0.33 0.00 0.00 177.00 178.14 2oz1 h GLU 73 N -0.18 0.98 -0.18 5.54 4.81 -1.97 -1.60 114.58 121.98 2oz1 h GLU 73 Ca -0.48 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 2oz1 h GLU 73 Cb 1.31 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2oz1 h GLU 73 CO 0.50 0.65 -0.08 0.00 -0.73 0.00 0.00 179.01 179.35 2oz1 h ALA 74 N 1.48 1.53 0.00 2.92 0.00 -1.90 0.56 119.26 123.85 2oz1 h ALA 74 Ca 0.45 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 2oz1 h ALA 74 Cb 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.05 2oz1 h ALA 74 CO -0.23 0.34 -0.87 1.98 0.00 0.00 0.00 179.25 180.47 2oz1 h MET 75 N 0.27 0.59 -0.20 0.00 1.85 -1.66 0.46 114.93 116.24 2oz1 h MET 75 Ca 0.06 -0.63 0.00 0.00 -0.61 0.00 0.00 59.70 58.52 2oz1 h MET 75 Cb 0.32 0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.52 2oz1 h MET 75 CO 0.02 1.24 0.13 0.82 -0.40 0.00 0.00 176.91 178.71 2oz1 h ILE 76 N 0.19 1.06 -0.50 1.77 2.04 -0.78 -0.97 117.51 120.34 2oz1 h ILE 76 Ca -0.11 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2oz1 h ILE 76 Cb 1.55 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2oz1 h ILE 76 CO 0.17 0.06 0.33 -0.09 0.00 0.00 0.00 178.15 178.62 2oz1 h ARG 77 N 0.26 0.64 -0.81 2.37 2.43 -1.00 -2.60 114.38 115.67 2oz1 h ARG 77 Ca 0.07 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2oz1 h ARG 77 Cb -0.01 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.33 2oz1 h ARG 77 CO -0.01 0.43 0.49 0.78 -1.51 0.00 0.00 179.97 180.14 2oz1 h GLY 78 N 0.66 1.22 1.73 2.80 0.00 -1.22 0.24 103.07 108.51 2oz1 h GLY 78 Ca 0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2oz1 h GLY 78 CO -0.05 0.22 0.16 -2.22 0.00 0.00 0.00 176.54 174.65 2oz1 h ILE 79 N 0.88 1.08 0.01 2.60 2.04 -1.00 -1.90 117.51 121.22 2oz1 h ILE 79 Ca 0.36 -0.18 -0.26 0.00 1.00 0.00 0.00 64.86 65.78 2oz1 h ILE 79 Cb 0.20 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2oz1 h ILE 79 CO -0.18 0.08 -1.39 -0.07 0.00 0.00 0.00 178.15 176.59 2oz1 h LEU 80 N 0.36 0.04 -0.07 1.44 3.38 -0.72 -2.34 115.31 117.40 2oz1 h LEU 80 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2oz1 h LEU 80 Cb -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2oz1 h LEU 80 CO -0.02 1.05 -0.00 0.58 0.09 0.00 0.00 178.44 180.14 2oz1 h VAL 81 N 0.01 1.26 -0.73 1.22 2.07 -0.31 -2.95 116.25 116.81 2oz1 h VAL 81 Ca -0.16 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2oz1 h VAL 81 Cb 1.91 1.65 -0.18 0.00 -1.52 0.00 0.00 31.29 33.15 2oz1 h VAL 81 CO 0.11 0.22 -0.33 0.21 0.02 0.00 0.00 177.57 177.80 2oz1 s ASN 82 N -5.65 -1.12 0.58 0.57 3.84 -0.74 -1.20 114.94 111.21 2oz1 s ASN 82 Ca -0.15 -0.56 0.29 0.00 0.21 0.00 0.00 52.86 52.66 2oz1 s ASN 82 Cb 0.04 1.44 1.44 0.00 -0.55 0.00 0.00 41.25 43.63 2oz1 s ASN 82 CO 0.69 -0.13 1.85 0.77 -2.79 0.00 0.00 177.10 177.50 2oz1 h SER 83 N 6.47 0.00 0.68 -4.21 4.64 -1.54 -0.94 113.55 118.65 2oz1 h SER 83 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2oz1 h SER 83 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2oz1 h SER 83 CO 0.04 0.00 -0.22 0.11 -0.87 0.00 0.00 176.83 175.89 2oz1 h LYS 84 N 0.00 0.00 -0.14 4.77 6.56 -1.86 0.76 116.57 126.65 2oz1 h LYS 84 Ca 0.29 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.81 2oz1 h LYS 84 Cb 1.45 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.09 2oz1 h LYS 84 CO -0.00 0.22 -0.21 -0.91 -2.06 0.00 0.00 179.45 176.49 2oz1 h ASN 85 N 0.00 0.24 0.00 0.86 2.35 -1.50 -3.01 115.58 114.52 2oz1 h ASN 85 Ca -0.00 -0.06 -0.40 0.00 -0.55 0.00 0.00 56.30 55.28 2oz1 h ASN 85 Cb 0.61 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.85 2oz1 h ASN 85 CO 0.03 0.46 -2.47 0.52 -1.65 0.00 0.00 177.43 174.32 2oz1 n VAL 86 N -4.20 1.51 -3.90 2.81 0.31 -0.71 -4.11 118.33 110.04 2oz1 n VAL 86 Ca -0.01 -0.54 -0.30 0.00 -0.01 0.00 0.00 64.34 63.48 2oz1 n VAL 86 Cb 0.33 -1.51 -0.14 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.52 2.93 0.33 3.52 0.40 0.26 -5.03 117.98 117.87 2oz1 s PHE 87 Ca -0.35 -2.76 -0.29 0.00 -0.60 0.00 0.00 56.93 52.93 2oz1 s PHE 87 Cb 0.10 -2.52 -0.12 0.00 0.51 0.00 0.00 43.02 41.00 2oz1 s PHE 87 CO 0.59 -0.84 1.51 -2.30 0.70 0.00 0.00 175.22 174.88 2oz1 n PRO 88 N 3.84 2.61 -0.94 0.24 -0.02 -1.14 -2.15 135.00 137.43 2oz1 n PRO 88 Ca 0.04 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 2oz1 n PRO 88 Cb 0.37 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 2oz1 n PRO 88 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2oz1 n GLU 89 N 1.24 -1.14 -1.59 -0.52 1.02 -1.26 -4.98 120.64 113.40 2oz1 n GLU 89 Ca 0.05 0.29 -0.39 0.00 -0.02 0.00 0.00 57.16 57.09 2oz1 n GLU 89 Cb 0.37 -4.28 0.04 0.00 -0.02 0.00 0.00 31.44 27.55 2oz1 n GLU 89 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2oz1 n THR 90 N -2.27 3.09 0.66 2.62 5.66 -0.92 -4.93 114.28 118.20 2oz1 n THR 90 Ca 0.00 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.63 2oz1 n THR 90 Cb 0.29 -1.09 0.39 0.00 -1.55 0.00 0.00 70.33 68.37 2oz1 n THR 90 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2oz1 n VAL 91 N -1.33 0.51 -1.67 1.08 0.24 -1.26 -4.86 118.33 111.03 2oz1 n VAL 91 Ca 0.12 -0.26 -0.44 0.00 -2.04 0.00 0.00 64.34 61.72 2oz1 n VAL 91 Cb 0.45 -0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 32.27 2oz1 n VAL 91 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 2oz1 n MET 92 N -2.17 2.64 -1.05 7.34 0.00 -1.26 -4.95 117.12 117.67 2oz1 n MET 92 Ca 0.05 0.97 -0.34 0.00 -0.00 0.00 0.00 57.70 58.38 2oz1 n MET 92 Cb 0.42 -2.87 0.10 0.00 0.00 0.00 0.00 33.22 30.87 2oz1 n MET 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2oz1 n PRO 93 N 6.71 0.05 -3.36 2.12 -0.02 -1.26 -4.72 135.00 134.52 2oz1 n PRO 93 Ca 0.20 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 2oz1 n PRO 93 Cb 0.36 -1.92 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 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 -2.14 3.47 -0.94 3.55 0.00 -1.26 -4.44 121.76 120.00 2oz1 s ALA 94 Ca 0.63 -1.32 0.26 0.00 0.00 0.00 0.00 51.96 51.53 2oz1 s ALA 94 Cb -0.28 -2.93 0.69 0.00 0.00 0.00 0.00 23.12 20.59 2oz1 s ALA 94 CO 0.61 -1.29 1.55 0.66 0.00 0.00 0.00 175.76 177.29 2oz1 n TYR 95 N 5.50 0.11 -1.92 0.00 4.02 -1.12 -3.96 117.16 119.79 2oz1 n TYR 95 Ca -0.08 0.03 0.05 0.00 -0.01 0.00 0.00 57.90 57.89 2oz1 n TYR 95 Cb 0.48 -0.40 0.13 0.00 -0.02 0.00 0.00 39.34 39.53 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 -1.61 0.00 -4.02 -0.72 9.36 -0.34 -1.98 117.16 117.85 2oz1 n TYR 96 Ca 0.06 -1.03 -0.34 0.00 3.32 0.00 0.00 57.90 59.90 2oz1 n TYR 96 Cb 0.35 -0.20 -0.06 0.00 -0.63 0.00 0.00 39.34 38.80 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 -1.86 3.26 -0.03 2.98 1.81 -1.24 -4.71 118.95 119.16 2oz1 s ARG 97 Ca 0.34 -0.33 0.05 0.00 -1.72 0.00 0.00 55.73 54.07 2oz1 s ARG 97 Cb 0.36 -3.01 0.07 0.00 -0.45 0.00 0.00 34.95 31.92 2oz1 s ARG 97 CO -0.10 0.70 0.91 1.33 -0.68 0.00 0.00 175.30 177.46 2oz1 n VAL 98 N 1.47 0.72 -3.50 3.52 0.24 -1.26 -4.47 118.33 115.05 2oz1 n VAL 98 Ca -0.15 -0.81 -0.10 0.00 -2.04 0.00 0.00 64.34 61.23 2oz1 n VAL 98 Cb 0.53 0.45 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 2oz1 n VAL 98 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2oz1 s GLU 99 N -0.96 1.24 0.00 7.34 -1.05 -1.26 -4.46 118.70 119.55 2oz1 s GLU 99 Ca 0.08 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2oz1 s GLU 99 Cb 0.07 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 2oz1 s GLU 99 CO 0.01 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 176.08 2oz1 n GLY 100 N -0.36 0.79 4.01 -3.83 0.00 -1.26 -5.09 105.19 99.44 2oz1 n GLY 100 Ca -0.14 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 1.59 -0.21 1.61 0.40 -1.26 -5.11 117.98 113.00 2oz1 s PHE 101 Ca 0.00 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.86 2oz1 s PHE 101 Cb 0.00 -2.69 0.07 0.00 0.51 0.00 0.00 43.02 40.91 2oz1 s PHE 101 CO 0.00 -1.46 0.08 1.21 0.70 0.00 0.00 175.22 175.75 2oz1 s ASN 102 N -4.69 2.87 -1.28 1.36 3.84 -1.26 -4.82 114.94 110.95 2oz1 s ASN 102 Ca 0.64 -0.88 -0.03 0.00 0.21 0.00 0.00 52.86 52.80 2oz1 s ASN 102 Cb -0.06 -0.43 0.01 0.00 -0.55 0.00 0.00 41.25 40.22 2oz1 s ASN 102 CO 0.42 -0.35 0.98 0.54 -2.79 0.00 0.00 177.10 175.89 2oz1 n ARG 103 N 5.16 -6.50 -2.12 0.43 1.74 -1.26 -4.98 116.66 109.13 2oz1 n ARG 103 Ca -0.07 0.78 -0.38 0.00 -0.77 0.00 0.00 57.85 57.41 2oz1 n ARG 103 Cb 0.47 -5.70 -0.00 0.00 -1.02 0.00 0.00 32.46 26.20 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 -5.80 3.78 0.33 5.56 0.04 -1.26 -5.03 135.00 132.62 2oz1 s PRO 104 Ca 0.18 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.27 2oz1 s PRO 104 Cb -0.08 -2.54 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 2oz1 s PRO 104 CO 0.75 -0.59 -0.02 0.20 0.04 0.00 0.00 177.00 177.38 2oz1 s GLY 105 N -1.06 2.12 -0.39 0.56 0.00 -1.26 -3.15 107.32 104.15 2oz1 s GLY 105 Ca 0.62 -2.08 -0.29 0.00 0.00 0.00 0.00 44.72 42.97 2oz1 s GLY 105 CO 0.42 -1.93 1.34 -0.42 0.00 0.00 0.00 173.10 172.51 2oz1 s ILE 106 N -2.95 4.02 0.00 0.90 1.01 0.94 -4.72 121.20 120.40 2oz1 s ILE 106 Ca 0.33 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.06 2oz1 s ILE 106 Cb 0.06 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2oz1 s ILE 106 CO 0.15 -0.71 0.00 0.00 0.00 0.00 0.00 174.94 174.38 2oz1 n ALA 107 N 8.31 0.00 -1.43 9.38 0.00 -1.26 -1.58 120.51 133.92 2oz1 n ALA 107 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.36 2oz1 n ALA 107 Cb 0.48 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.05 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 2.62 1.19 0.00 3.01 -1.26 -4.58 117.46 132.45 2oz1 n PHE 108 Ca 0.00 -2.26 0.13 0.00 1.01 0.00 0.00 57.45 56.32 2oz1 n PHE 108 Cb 0.00 -0.93 0.29 0.00 -0.01 0.00 0.00 39.48 38.83 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 -1.00 0.00 -0.69 4.37 -2.24 -0.62 -4.95 114.28 109.15 2oz1 n THR 109 Ca 0.53 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2oz1 n THR 109 Cb 1.08 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.44 -0.91 -4.80 3.42 7.64 -1.26 -4.99 113.62 112.28 2oz1 n SER 110 Ca 0.12 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 2oz1 n SER 110 Cb 0.38 -2.01 -0.06 0.00 -1.01 0.00 0.00 64.21 61.51 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 -0.87 4.18 0.30 1.43 1.02 -1.26 -4.94 119.74 119.60 2oz1 s LYS 111 Ca 0.00 0.67 -0.29 0.00 0.02 0.00 0.00 55.97 56.37 2oz1 s LYS 111 Cb 0.00 -3.27 -0.10 0.00 -0.52 0.00 0.00 37.83 33.94 2oz1 s LYS 111 CO 0.00 0.57 1.38 -1.25 -0.92 0.00 0.00 175.35 175.12 2oz1 s PRO 112 N -0.82 4.30 0.12 -1.68 0.04 -1.26 -0.04 135.00 135.64 2oz1 s PRO 112 Ca 0.28 2.28 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 2oz1 s PRO 112 Cb -0.19 -3.08 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 2oz1 s PRO 112 CO 0.17 -0.31 1.46 0.42 0.04 0.00 0.00 177.00 178.78 2oz1 s ILE 113 N -0.69 3.12 -0.10 0.56 1.01 -1.19 -4.65 121.20 119.26 2oz1 s ILE 113 Ca 0.53 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.99 2oz1 s ILE 113 Cb -0.41 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2oz1 s ILE 113 CO 0.50 0.05 -0.23 -1.61 0.00 0.00 0.00 174.94 173.65 2oz1 s GLU 114 N 1.36 2.96 0.53 2.79 8.01 -1.26 -5.02 118.70 128.06 2oz1 s GLU 114 Ca 0.67 -0.85 0.00 0.00 0.01 0.00 0.00 54.97 54.80 2oz1 s GLU 114 Cb -0.39 -2.26 0.00 0.00 -4.31 0.00 0.00 34.13 27.18 2oz1 s GLU 114 CO 0.30 0.15 0.00 0.41 0.01 0.00 0.00 175.26 176.13 2oz1 n GLY 115 N 3.61 -1.80 3.79 -1.39 0.00 -1.26 -4.99 105.19 103.14 2oz1 n GLY 115 Ca -0.19 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 2oz1 n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oz1 s GLU 116 N 0.00 3.75 -0.20 1.61 2.02 -1.26 -5.00 118.70 119.62 2oz1 s GLU 116 Ca 0.00 1.44 -0.23 0.00 0.02 0.00 0.00 54.97 56.20 2oz1 s GLU 116 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 2oz1 s GLU 116 CO 0.00 -0.49 0.73 0.42 0.02 0.00 0.00 175.26 175.94 2oz1 s ILE 117 N -1.89 4.95 0.21 -1.63 1.01 -1.26 -5.05 121.20 117.52 2oz1 s ILE 117 Ca 0.67 1.39 -0.21 0.00 0.00 0.00 0.00 60.65 62.50 2oz1 s ILE 117 Cb -0.19 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 2oz1 s ILE 117 CO 0.22 0.05 0.74 -0.13 0.00 0.00 0.00 174.94 175.83 2oz1 s ARG 118 N 2.15 4.34 0.82 2.79 0.52 -1.26 -4.78 118.95 123.53 2oz1 s ARG 118 Ca 0.33 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 56.38 2oz1 s ARG 118 Cb -0.16 -2.98 0.09 0.00 0.52 0.00 0.00 34.95 32.42 2oz1 s ARG 118 CO 0.11 0.44 1.13 -1.25 0.02 0.00 0.00 175.30 175.75 2oz1 s PRO 119 N -1.75 1.72 0.39 3.54 0.04 -1.26 -4.90 135.00 132.78 2oz1 s PRO 119 Ca 0.41 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2oz1 s PRO 119 Cb -0.18 -1.82 0.80 0.00 0.04 0.00 0.00 34.50 33.34 2oz1 s PRO 119 CO 0.22 -2.09 2.04 -0.07 0.04 0.00 0.00 177.00 177.14 2oz1 h LEU 120 N -1.29 0.55 -8.35 -3.56 3.38 -1.74 -3.41 115.31 100.88 2oz1 h LEU 120 Ca -0.44 -0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.07 2oz1 h LEU 120 Cb 1.26 -0.14 -0.24 0.00 0.09 0.00 0.00 40.66 41.63 2oz1 h LEU 120 CO 0.47 0.40 -0.79 -0.04 0.09 0.00 0.00 178.44 178.56 2oz1 s MET 121 N -5.57 0.93 0.99 1.13 -1.94 -0.84 -4.85 119.30 109.16 2oz1 s MET 121 Ca -0.09 -0.81 -0.12 0.00 -1.71 0.00 0.00 55.69 52.96 2oz1 s MET 121 Cb 0.18 -0.94 0.18 0.00 2.01 0.00 0.00 34.83 36.26 2oz1 s MET 121 CO 0.74 0.23 1.10 0.95 -0.01 0.00 0.00 175.02 178.03 2oz1 s THR 122 N -0.94 2.10 0.16 2.05 -4.23 -1.26 -4.71 115.64 108.82 2oz1 s THR 122 Ca 0.01 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.40 2oz1 s THR 122 Cb -0.08 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.25 2oz1 s THR 122 CO 0.01 -0.04 1.81 0.00 -0.54 0.00 0.00 174.62 175.86 2oz1 h ALA 123 N -1.85 0.57 -0.81 3.99 0.00 -1.91 -1.04 119.26 118.20 2oz1 h ALA 123 Ca -0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2oz1 h ALA 123 Cb 1.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2oz1 h ALA 123 CO 0.58 -0.04 0.46 0.78 0.00 0.00 0.00 179.25 181.03 2oz1 h GLY 124 N 0.55 1.20 1.02 0.00 0.00 -1.93 -1.00 103.07 102.90 2oz1 h GLY 124 Ca 0.17 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 2oz1 h GLY 124 CO -0.07 0.51 0.16 1.46 0.00 0.00 0.00 176.54 178.60 2oz1 h GLN 125 N 1.12 0.97 -0.41 4.80 4.20 -1.86 -0.43 115.11 123.49 2oz1 h GLN 125 Ca 0.29 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2oz1 h GLN 125 Cb 0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2oz1 h GLN 125 CO -0.05 0.88 0.14 0.82 -0.67 0.00 0.00 178.83 179.95 2oz1 h ILE 126 N 0.89 1.21 -0.37 2.54 2.04 -0.96 -1.79 117.51 121.07 2oz1 h ILE 126 Ca 0.19 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2oz1 h ILE 126 Cb 0.34 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2oz1 h ILE 126 CO 0.00 0.25 -0.08 -0.33 0.00 0.00 0.00 178.15 177.98 2oz1 h GLU 127 N 0.52 0.62 -0.33 2.37 4.39 -1.06 0.31 114.58 121.42 2oz1 h GLU 127 Ca 0.13 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2oz1 h GLU 127 Cb 0.24 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2oz1 h GLU 127 CO -0.01 0.71 0.15 -0.44 -1.16 0.00 0.00 179.01 178.26 2oz1 h ASP 128 N 0.58 0.20 -0.27 1.42 3.32 -0.98 -0.67 116.42 120.03 2oz1 h ASP 128 Ca 0.11 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2oz1 h ASP 128 Cb 0.49 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2oz1 h ASP 128 CO 0.03 0.16 -0.26 0.58 -1.72 0.00 0.00 179.24 178.02 2oz1 h VAL 129 N 0.31 1.31 -0.46 -1.35 2.07 -0.83 -2.52 116.25 114.77 2oz1 h VAL 129 Ca 0.14 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.30 2oz1 h VAL 129 Cb 0.07 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 2oz1 h VAL 129 CO -0.11 0.45 0.15 0.58 0.02 0.00 0.00 177.57 178.66 2oz1 h VAL 130 N 0.37 0.83 -0.59 2.57 2.07 -0.36 -0.55 116.25 120.59 2oz1 h VAL 130 Ca 0.04 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2oz1 h VAL 130 Cb 0.82 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2oz1 h VAL 130 CO 0.07 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.97 2oz1 h ALA 131 N 1.31 0.77 -0.48 1.67 0.00 -1.06 -1.52 119.26 119.95 2oz1 h ALA 131 Ca 0.22 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2oz1 h ALA 131 Cb 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2oz1 h ALA 131 CO -0.24 -0.13 -0.03 -0.92 0.00 0.00 0.00 179.25 177.93 2oz1 h TYR 132 N 0.47 0.96 0.00 0.00 3.20 -0.99 -2.84 116.97 117.77 2oz1 h TYR 132 Ca 0.29 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2oz1 h TYR 132 Cb 0.29 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2oz1 h TYR 132 CO -0.14 0.91 -0.19 -0.07 -1.64 0.00 0.00 178.16 177.04 2oz1 h LEU 133 N 0.73 0.00 -1.09 2.82 3.38 -0.69 -2.73 115.31 117.73 2oz1 h LEU 133 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2oz1 h LEU 133 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2oz1 h LEU 133 CO 0.03 0.19 0.00 0.24 0.09 0.00 0.00 178.44 178.99 2oz1 h MET 134 N 0.00 0.00 0.00 1.13 2.86 -1.03 -2.27 114.93 115.62 2oz1 h MET 134 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2oz1 h MET 134 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2oz1 h MET 134 CO 0.02 0.00 -0.52 0.25 1.06 0.00 0.00 176.91 177.73 2oz1 n THR 135 N -2.47 0.30 -2.10 2.22 -2.24 -1.03 -4.53 114.28 104.44 2oz1 n THR 135 Ca 0.01 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2oz1 n THR 135 Cb 0.21 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.99 6.40 -0.64 3.22 4.77 -0.85 -5.04 117.00 122.87 2oz1 n LEU 136 Ca 0.04 -4.25 0.08 0.00 -0.03 0.00 0.00 56.01 51.85 2oz1 n LEU 136 Cb 0.42 -1.63 0.07 0.00 -2.33 0.00 0.00 43.42 39.95 2oz1 n LEU 136 CO 0.35 1.00 0.50 0.35 -1.33 0.00 0.00 177.39 178.27