#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sie n ALA 18 N 0.00 5.16 -2.05 3.14 0.00 -1.26 -4.87 120.51 120.63 1sie n ALA 18 Ca 0.00 -1.88 -0.43 0.00 0.00 0.00 0.00 53.44 51.14 1sie n ALA 18 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 1sie n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sie n PRO 20 N 7.70 0.00 -2.77 0.00 -0.04 -1.26 -4.86 135.00 133.77 1sie n PRO 20 Ca 0.20 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1sie n PRO 20 Cb 0.45 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 33.41 1sie n PRO 20 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sie s ARG 21 N 0.02 4.10 1.19 0.54 1.81 -1.26 -5.04 118.95 120.32 1sie s ARG 21 Ca 0.29 0.99 -0.17 0.00 -1.72 0.00 0.00 55.73 55.11 1sie s ARG 21 Cb -0.40 -3.70 0.23 0.00 -0.45 0.00 0.00 34.95 30.63 1sie s ARG 21 CO 0.18 -0.71 0.52 -0.35 -0.68 0.00 0.00 175.30 174.26 1sie n PRO 22 N 6.41 -2.55 -1.62 3.54 -0.04 -1.26 -4.94 135.00 134.54 1sie n PRO 22 Ca 0.09 -0.73 -0.35 0.00 -0.04 0.00 0.00 63.50 62.46 1sie n PRO 22 Cb 0.47 -1.87 0.08 0.00 -0.04 0.00 0.00 33.50 32.14 1sie n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sie s ALA 23 N -2.25 2.26 -0.32 0.55 0.00 -1.26 -4.96 121.76 115.78 1sie s ALA 23 Ca 0.60 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.39 1sie s ALA 23 Cb -0.16 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1sie s ALA 23 CO 0.61 -1.68 0.48 -2.14 0.00 0.00 0.00 175.76 173.03 1sie s PRO 24 N -3.65 3.78 0.28 0.00 0.02 -1.26 -5.04 135.00 129.13 1sie s PRO 24 Ca 0.77 -0.04 0.11 0.00 0.02 0.00 0.00 61.00 61.87 1sie s PRO 24 Cb -0.32 -3.75 -0.05 0.00 0.02 0.00 0.00 34.50 30.40 1sie s PRO 24 CO 0.42 -0.51 -0.16 0.08 -0.33 0.00 0.00 177.00 176.49 1sie s VAL 25 N 2.30 2.67 0.27 3.83 1.01 -1.26 -5.09 120.40 124.12 1sie s VAL 25 Ca 0.18 -2.31 -0.30 0.00 0.00 0.00 0.00 61.98 59.56 1sie s VAL 25 Cb -0.16 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 1sie s VAL 25 CO 0.12 -0.39 1.03 -2.16 0.00 0.00 0.00 175.10 173.70 1sie s PRO 26 N -3.54 4.72 -0.14 2.72 0.04 -1.26 -4.98 135.00 132.55 1sie s PRO 26 Ca 0.30 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 1sie s PRO 26 Cb -0.05 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 1sie s PRO 26 CO 0.16 0.33 0.84 0.21 0.04 0.00 0.00 177.00 178.58 1sie s LYS 27 N -1.36 4.34 -0.08 4.56 2.20 -1.26 -5.03 119.74 123.11 1sie s LYS 27 Ca 0.43 1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 56.85 1sie s LYS 27 Cb -0.29 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 1sie s LYS 27 CO 0.37 -0.27 0.80 -1.17 -0.36 0.00 0.00 175.35 174.72 1sie s LEU 28 N 1.93 4.29 -0.08 5.43 2.96 -1.26 -4.94 118.68 127.01 1sie s LEU 28 Ca 0.40 1.30 -0.18 0.00 -0.22 0.00 0.00 54.13 55.42 1sie s LEU 28 Cb -0.17 -3.24 -0.15 0.00 0.50 0.00 0.00 46.19 43.13 1sie s LEU 28 CO 0.14 -0.22 0.68 -0.07 -1.32 0.00 0.00 176.35 175.56 1sie h LEU 29 N 7.17 -0.12 -7.00 -0.68 -0.00 -1.96 -3.48 115.31 109.24 1sie h LEU 29 Ca -0.38 -0.40 0.09 0.00 -0.00 0.00 0.00 57.88 57.18 1sie h LEU 29 Cb 1.19 0.03 -0.18 0.00 -0.00 0.00 0.00 40.66 41.69 1sie h LEU 29 CO 0.77 0.51 0.49 -0.51 -0.00 0.00 0.00 178.44 179.70 1sie s ILE 30 N -2.83 0.00 0.27 1.22 2.07 -1.26 -5.17 121.20 115.51 1sie s ILE 30 Ca -0.11 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 1sie s ILE 30 Cb -0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1sie s ILE 30 CO 0.42 0.00 0.14 -1.59 -1.91 0.00 0.00 174.94 172.00 1sie s LYS 31 N -2.23 1.47 0.00 3.50 -2.85 -1.26 -5.05 119.74 113.33 1sie s LYS 31 Ca 0.01 -1.82 0.00 0.00 -1.00 0.00 0.00 55.97 53.16 1sie s LYS 31 Cb -0.01 -0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.68 1sie s LYS 31 CO -0.04 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1sie n GLY 32 N -0.49 0.32 1.41 0.59 0.00 -1.26 -4.96 105.19 100.79 1sie n GLY 32 Ca 0.01 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1sie n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 33 N 0.00 0.63 0.33 -0.02 0.00 -1.26 -4.89 105.19 99.98 1sie n GLY 33 Ca 0.00 -1.97 0.18 0.00 0.00 0.00 0.00 46.02 44.23 1sie n GLY 33 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1sie h MET 34 N 0.00 0.05 -1.03 1.61 2.86 -2.00 0.27 114.93 116.69 1sie h MET 34 Ca -0.12 -0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.78 1sie h MET 34 Cb 0.44 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.99 1sie h MET 34 CO 0.13 0.03 0.65 1.05 1.06 0.00 0.00 176.91 179.84 1sie h GLU 35 N 0.05 0.43 -1.20 1.72 9.09 -1.98 1.21 114.58 123.89 1sie h GLU 35 Ca 0.64 -0.03 0.36 0.00 0.05 0.00 0.00 59.36 60.38 1sie h GLU 35 Cb 1.43 -0.10 -0.10 0.00 -1.65 0.00 0.00 28.75 28.33 1sie h GLU 35 CO -0.83 0.28 0.79 0.28 0.05 0.00 0.00 179.01 179.58 1sie h VAL 36 N 0.44 0.32 -0.49 -1.06 2.07 -0.79 0.74 116.25 117.47 1sie h VAL 36 Ca 0.60 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 68.14 1sie h VAL 36 Cb 1.44 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1sie h VAL 36 CO -0.33 0.04 0.10 -0.07 0.02 0.00 0.00 177.57 177.32 1sie h LEU 37 N 0.21 0.00 -0.87 2.57 4.07 0.14 -2.29 115.31 119.14 1sie h LEU 37 Ca 0.70 0.09 0.28 0.00 0.08 0.00 0.00 57.88 59.02 1sie h LEU 37 Cb 2.12 0.12 -0.16 0.00 1.08 0.00 0.00 40.66 43.81 1sie h LEU 37 CO -0.31 0.03 0.15 0.47 -1.08 0.00 0.00 178.44 177.71 1sie n ASP 38 N -5.11 0.02 -4.71 -0.43 9.92 0.26 -4.47 116.55 112.02 1sie n ASP 38 Ca 0.05 1.47 -0.43 0.00 -0.53 0.00 0.00 54.79 55.35 1sie n ASP 38 Cb 0.24 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 40.11 1sie n ASP 38 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sie n LEU 39 N -5.17 3.86 -4.68 0.64 7.94 -0.86 -4.87 117.00 113.84 1sie n LEU 39 Ca 0.24 1.13 -0.45 0.00 -1.11 0.00 0.00 56.01 55.82 1sie n LEU 39 Cb 0.81 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 1sie n LEU 39 CO -0.04 -0.06 1.35 0.52 -1.11 0.00 0.00 177.39 178.05 1sie n VAL 40 N 2.46 0.20 -0.10 1.96 0.31 -1.26 -4.89 118.33 117.02 1sie n VAL 40 Ca 0.11 -0.04 -0.18 0.00 -0.01 0.00 0.00 64.34 64.23 1sie n VAL 40 Cb 0.34 -1.83 -0.09 0.00 -0.91 0.00 0.00 33.84 31.35 1sie n VAL 40 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1sie n THR 41 N 4.16 1.51 0.00 2.52 -2.24 -1.26 -5.08 114.28 113.89 1sie n THR 41 Ca 0.18 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1sie n THR 41 Cb 0.32 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1sie n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sie n GLY 42 N 1.47 0.18 0.00 3.38 0.00 -1.26 -4.78 105.19 104.18 1sie n GLY 42 Ca -0.27 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1sie n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sie n PRO 43 N 0.00 2.16 -0.01 1.61 -0.04 -1.26 -4.76 135.00 132.71 1sie n PRO 43 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1sie n PRO 43 Cb 0.00 -0.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.62 1sie n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sie n ASP 44 N -1.04 0.33 -2.47 3.54 8.00 -1.26 -4.14 116.55 119.51 1sie n ASP 44 Ca 0.00 0.14 -0.35 0.00 0.71 0.00 0.00 54.79 55.29 1sie n ASP 44 Cb 0.17 1.10 -0.05 0.00 -0.02 0.00 0.00 41.12 42.31 1sie n ASP 44 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sie n SER 45 N -2.59 0.60 -4.81 -2.24 3.41 -1.26 -4.67 113.62 102.06 1sie n SER 45 Ca -0.12 0.58 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 1sie n SER 45 Cb 0.77 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1sie n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sie s VAL 46 N 1.88 4.56 -0.04 -3.33 1.01 -1.26 -4.55 120.40 118.67 1sie s VAL 46 Ca 0.57 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1sie s VAL 46 Cb -0.80 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1sie s VAL 46 CO 0.42 -0.12 -0.15 -0.89 0.00 0.00 0.00 175.10 174.36 1sie s THR 47 N -1.77 1.24 -0.14 3.92 2.01 -1.13 -5.03 115.64 114.73 1sie s THR 47 Ca 0.31 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1sie s THR 47 Cb -0.10 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1sie s THR 47 CO 0.24 0.36 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.73 1sie s GLU 48 N 0.13 3.11 -0.20 4.92 2.02 -1.26 -2.53 118.70 124.90 1sie s GLU 48 Ca -0.05 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1sie s GLU 48 Cb -0.11 -2.51 0.04 0.00 0.10 0.00 0.00 34.13 31.65 1sie s GLU 48 CO 0.02 0.02 -0.13 0.42 0.02 0.00 0.00 175.26 175.61 1sie s ILE 49 N 0.77 1.81 -0.19 -1.63 1.01 -0.19 -4.98 121.20 117.80 1sie s ILE 49 Ca -0.07 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.39 1sie s ILE 49 Cb -0.16 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1sie s ILE 49 CO -0.00 0.23 0.16 -1.61 0.00 0.00 0.00 174.94 173.71 1sie s GLU 50 N 1.33 4.17 0.13 2.79 8.01 -1.25 -1.18 118.70 132.69 1sie s GLU 50 Ca -0.01 -0.16 -0.04 0.00 0.01 0.00 0.00 54.97 54.77 1sie s GLU 50 Cb -0.16 -3.41 0.02 0.00 -4.31 0.00 0.00 34.13 26.27 1sie s GLU 50 CO -0.09 0.31 0.25 0.00 0.01 0.00 0.00 175.26 175.75 1sie n ALA 51 N 3.45 -0.51 -3.54 5.21 0.00 -0.03 -4.97 120.51 120.13 1sie n ALA 51 Ca -0.15 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.74 1sie n ALA 51 Cb 0.52 0.37 -0.02 0.00 0.00 0.00 0.00 19.45 20.32 1sie n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sie s PHE 52 N -6.16 -0.31 -0.00 0.00 -0.71 -1.26 0.66 117.98 110.19 1sie s PHE 52 Ca 0.06 0.16 0.08 0.00 -1.04 0.00 0.00 56.93 56.20 1sie s PHE 52 Cb -0.01 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1sie s PHE 52 CO 0.05 -0.56 -0.26 -0.51 -1.34 0.00 0.00 175.22 172.59 1sie s LEU 53 N -2.53 2.08 0.43 -1.99 1.02 -0.02 -4.99 118.68 112.68 1sie s LEU 53 Ca 0.06 -0.50 -0.09 0.00 0.02 0.00 0.00 54.13 53.62 1sie s LEU 53 Cb -0.01 -1.33 -0.06 0.00 0.02 0.00 0.00 46.19 44.82 1sie s LEU 53 CO -0.08 0.30 0.78 0.20 0.02 0.00 0.00 176.35 177.58 1sie s ASN 54 N -0.77 6.46 -0.41 2.29 0.02 -1.26 -1.34 114.94 119.93 1sie s ASN 54 Ca 0.10 1.09 -0.27 0.00 -1.02 0.00 0.00 52.86 52.77 1sie s ASN 54 Cb -0.10 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 38.88 1sie s ASN 54 CO -0.00 -0.45 1.00 -2.16 0.02 0.00 0.00 177.10 175.51 1sie s PRO 55 N -4.07 3.78 -0.47 -0.60 0.04 -1.26 -4.84 135.00 127.58 1sie s PRO 55 Ca 0.50 0.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 1sie s PRO 55 Cb -0.10 -3.85 0.12 0.00 0.04 0.00 0.00 34.50 30.72 1sie s PRO 55 CO 0.35 -1.11 0.31 1.03 0.04 0.00 0.00 177.00 177.62 1sie s ARG 56 N 3.81 2.31 -0.23 4.56 0.52 -1.26 -4.64 118.95 124.02 1sie s ARG 56 Ca 0.41 -1.91 -0.03 0.00 -0.52 0.00 0.00 55.73 53.68 1sie s ARG 56 Cb -0.10 -3.76 0.08 0.00 0.52 0.00 0.00 34.95 31.68 1sie s ARG 56 CO 0.23 -1.14 0.08 0.00 0.02 0.00 0.00 175.30 174.49 1sie s MET 57 N 1.04 0.46 4.48 3.54 0.23 -1.26 -3.18 119.30 124.60 1sie s MET 57 Ca 0.09 -0.50 0.00 0.00 -1.03 0.00 0.00 55.69 54.25 1sie s MET 57 Cb -0.23 -1.84 0.00 0.00 -1.53 0.00 0.00 34.83 31.22 1sie s MET 57 CO -0.03 -0.79 0.00 0.41 -2.03 0.00 0.00 175.02 172.58 1sie n GLY 58 N 5.10 1.51 3.64 3.16 0.00 -1.23 -3.47 105.19 113.89 1sie n GLY 58 Ca -0.07 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1sie n GLY 58 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sie n GLN 59 N 0.93 2.52 -2.46 1.61 -0.06 -0.63 -4.78 117.38 114.52 1sie n GLN 59 Ca 0.00 0.87 -0.27 0.00 -2.00 0.00 0.00 57.00 55.60 1sie n GLN 59 Cb 0.00 -3.03 0.02 0.00 -4.06 0.00 0.00 30.24 23.16 1sie n GLN 59 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1sie s PRO 60 N 5.01 3.22 0.02 3.69 0.04 -1.26 -3.71 135.00 142.01 1sie s PRO 60 Ca 0.93 0.13 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 1sie s PRO 60 Cb -0.44 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1sie s PRO 60 CO 0.41 -0.49 1.09 -1.00 0.04 0.00 0.00 177.00 177.05 1sie h PRO 61 N -0.02 -0.06 0.00 0.56 0.13 -1.98 -3.37 132.00 127.26 1sie h PRO 61 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sie h PRO 61 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sie h PRO 61 CO 0.61 -0.04 0.00 0.25 -0.23 0.00 0.00 178.00 178.59 1sie n THR 62 N -3.14 0.00 -2.31 1.56 -2.24 -1.26 -3.32 114.28 103.57 1sie n THR 62 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 1sie n THR 62 Cb 0.06 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 1sie n THR 62 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1sie n PRO 63 N -1.68 2.89 0.17 -0.78 -0.02 -1.26 -4.66 135.00 129.66 1sie n PRO 63 Ca 0.00 -3.01 0.18 0.00 -2.02 0.00 0.00 63.50 58.65 1sie n PRO 63 Cb 0.00 -3.47 0.71 0.00 -0.02 0.00 0.00 33.50 30.72 1sie n PRO 63 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sie h GLU 64 N 7.52 0.00 -6.72 -0.52 5.08 -1.92 -3.37 114.58 114.65 1sie h GLU 64 Ca 0.45 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.31 1sie h GLU 64 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1sie h GLU 64 CO 1.53 0.00 0.38 0.45 -1.00 0.00 0.00 179.01 180.38 1sie s SER 65 N -4.72 7.53 0.00 1.42 0.15 -1.26 -4.89 113.70 111.92 1sie s SER 65 Ca -0.04 1.99 0.09 0.00 0.70 0.00 0.00 55.95 58.70 1sie s SER 65 Cb 0.12 -2.61 0.53 0.00 -1.71 0.00 0.00 66.02 62.35 1sie s SER 65 CO 0.41 0.04 1.25 0.18 1.20 0.00 0.00 173.24 176.33 1sie n LEU 66 N 1.72 0.00 -0.07 3.45 4.77 -1.26 -1.85 117.00 123.77 1sie n LEU 66 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1sie n LEU 66 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1sie n LEU 66 CO 0.51 0.00 -0.72 0.35 -1.33 0.00 0.00 177.39 176.20 1sie n THR 67 N -0.66 1.33 -0.01 -5.08 -2.24 -1.26 -3.28 114.28 103.08 1sie n THR 67 Ca 0.07 0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.83 1sie n THR 67 Cb 0.03 -2.03 0.10 0.00 -2.10 0.00 0.00 70.33 66.34 1sie n THR 67 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sie h GLU 68 N -0.73 0.57 -0.36 -0.78 5.08 -1.88 -1.39 114.58 115.09 1sie h GLU 68 Ca -0.17 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1sie h GLU 68 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1sie h GLU 68 CO -0.10 0.88 0.00 0.41 -1.00 0.00 0.00 179.01 179.20 1sie n GLY 69 N -0.02 1.81 1.58 -3.84 0.00 -0.77 -4.90 105.19 99.05 1sie n GLY 69 Ca -0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 1sie n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 70 N 1.07 -0.13 2.71 -0.02 0.00 -0.52 -1.21 105.19 107.09 1sie n GLY 70 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1sie n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sie n GLN 71 N -1.58 -0.56 -1.19 1.61 1.13 -1.21 -4.76 117.38 110.81 1sie n GLN 71 Ca -0.01 0.31 -0.21 0.00 -1.94 0.00 0.00 57.00 55.15 1sie n GLN 71 Cb 0.20 -0.75 0.20 0.00 0.11 0.00 0.00 30.24 30.01 1sie n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1sie n TYR 72 N -0.98 2.95 -1.94 1.08 4.01 -0.35 -5.00 117.16 116.94 1sie n TYR 72 Ca -0.10 -1.73 -0.41 0.00 -0.16 0.00 0.00 57.90 55.50 1sie n TYR 72 Cb 0.24 -0.90 -0.02 0.00 -0.31 0.00 0.00 39.34 38.35 1sie n TYR 72 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1sie s TYR 73 N -3.25 2.92 -0.83 -0.72 5.04 -1.26 -1.45 117.35 117.80 1sie s TYR 73 Ca 0.57 0.99 -0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1sie s TYR 73 Cb 0.47 -3.90 -0.00 0.00 0.35 0.00 0.00 41.96 38.88 1sie s TYR 73 CO 0.11 -2.90 0.69 0.41 -1.34 0.00 0.00 175.55 172.52 1sie n GLY 74 N 1.99 -0.14 3.51 8.97 0.00 -1.24 -5.01 105.19 113.26 1sie n GLY 74 Ca 0.06 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1sie n GLY 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sie s TRP 75 N -3.25 -0.63 0.16 1.61 0.51 -0.53 -4.02 118.94 112.80 1sie s TRP 75 Ca 0.02 1.24 -0.30 0.00 -2.12 0.00 0.00 56.10 54.93 1sie s TRP 75 Cb -0.00 0.33 -0.08 0.00 -0.81 0.00 0.00 33.47 32.91 1sie s TRP 75 CO 0.51 -0.51 1.21 -1.12 -0.51 0.00 0.00 176.95 176.53 1sie s SER 76 N -0.73 7.07 0.00 2.95 0.01 0.60 -1.60 113.70 121.99 1sie s SER 76 Ca -0.08 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1sie s SER 76 Cb -0.02 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1sie s SER 76 CO 0.07 -0.40 0.48 -1.14 0.41 0.00 0.00 173.24 172.65 1sie n ARG 77 N 2.78 0.00 -2.69 12.44 3.00 0.21 -4.41 116.66 128.00 1sie n ARG 77 Ca 0.05 0.12 -0.06 0.00 -0.00 0.00 0.00 57.85 57.97 1sie n ARG 77 Cb 0.45 -0.98 -0.02 0.00 0.00 0.00 0.00 32.46 31.90 1sie n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sie n GLY 78 N -0.60 3.69 3.08 5.14 0.00 -1.26 -4.70 105.19 110.54 1sie n GLY 78 Ca 0.00 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1sie n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sie s ILE 79 N -2.40 2.91 -0.50 -0.61 -1.09 -1.26 -4.45 121.20 113.80 1sie s ILE 79 Ca 0.12 -2.20 -0.27 0.00 -2.23 0.00 0.00 60.65 56.07 1sie s ILE 79 Cb 0.01 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 1sie s ILE 79 CO 0.09 -0.66 1.86 0.21 -1.23 0.00 0.00 174.94 175.20 1sie s ASN 80 N 1.43 5.47 0.59 3.58 3.04 -1.26 -4.92 114.94 122.86 1sie s ASN 80 Ca 0.10 0.74 0.00 0.00 0.04 0.00 0.00 52.86 53.74 1sie s ASN 80 Cb -0.21 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 36.97 1sie s ASN 80 CO -0.06 -2.15 0.00 0.18 -3.04 0.00 0.00 177.10 172.04 1sie n LEU 81 N 11.97 0.00 -4.20 3.21 4.77 -1.26 -4.53 117.00 126.96 1sie n LEU 81 Ca 0.22 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 1sie n LEU 81 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1sie n LEU 81 CO 0.70 -0.46 -0.49 0.00 -1.33 0.00 0.00 177.39 175.81 1sie s ALA 82 N -3.58 1.44 0.17 -1.18 0.00 -1.26 -4.48 121.76 112.86 1sie s ALA 82 Ca 0.00 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1sie s ALA 82 Cb 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 23.12 22.97 1sie s ALA 82 CO 0.00 0.29 1.61 1.15 0.00 0.00 0.00 175.76 178.81 1sie h THR 83 N 4.39 0.27 0.00 0.00 2.02 -1.26 -3.47 112.91 114.87 1sie h THR 83 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1sie h THR 83 Cb 1.17 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1sie h THR 83 CO 0.43 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 176.08 1sie n SER 84 N -5.41 0.00 0.00 4.18 2.88 -1.14 -4.94 113.62 109.19 1sie n SER 84 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1sie n SER 84 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1sie n SER 84 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1sie n ASP 85 N 0.00 0.00 -0.03 -3.46 2.03 -1.26 0.23 116.55 114.06 1sie n ASP 85 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1sie n ASP 85 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1sie n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sie h THR 86 N 0.00 1.47 -3.69 5.18 1.03 -1.99 -3.44 112.91 111.46 1sie h THR 86 Ca 0.00 -1.60 -0.67 0.00 -0.01 0.00 0.00 66.41 64.12 1sie h THR 86 Cb 0.00 2.42 -0.35 0.00 -1.07 0.00 0.00 68.15 69.16 1sie h THR 86 CO 0.00 0.44 -0.77 -0.70 -0.01 0.00 0.00 175.52 174.48 1sie s GLU 87 N -3.66 2.49 -0.41 0.00 2.12 0.62 -5.02 118.70 114.85 1sie s GLU 87 Ca -0.16 -1.20 0.03 0.00 0.36 0.00 0.00 54.97 54.00 1sie s GLU 87 Cb 0.02 -2.96 0.12 0.00 0.26 0.00 0.00 34.13 31.56 1sie s GLU 87 CO 0.72 -0.51 0.16 0.34 -0.54 0.00 0.00 175.26 175.42 1sie s ASP 88 N 1.21 4.30 -0.16 -1.70 2.15 -1.26 -0.69 116.67 120.51 1sie s ASP 88 Ca -0.05 -2.41 -0.01 0.00 0.43 0.00 0.00 52.55 50.51 1sie s ASP 88 Cb -0.19 -1.39 -0.01 0.00 -0.30 0.00 0.00 42.92 41.04 1sie s ASP 88 CO -0.04 -0.32 -0.12 -0.55 -0.17 0.00 0.00 175.17 173.96 1sie s SER 89 N 0.57 3.91 0.02 -0.34 0.15 -1.26 0.11 113.70 116.86 1sie s SER 89 Ca 0.14 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.39 1sie s SER 89 Cb -0.22 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1sie s SER 89 CO -0.07 0.08 0.05 -2.16 1.20 0.00 0.00 173.24 172.34 1sie s PRO 90 N 0.85 2.91 0.76 5.44 0.05 -1.25 -4.63 135.00 139.14 1sie s PRO 90 Ca -0.04 -0.58 -0.11 0.00 0.05 0.00 0.00 61.00 60.32 1sie s PRO 90 Cb -0.15 -2.76 0.05 0.00 0.05 0.00 0.00 34.50 31.69 1sie s PRO 90 CO 0.00 0.62 1.08 0.20 0.05 0.00 0.00 177.00 178.95 1sie s GLY 91 N -1.84 1.65 0.00 0.56 0.00 -1.26 -4.81 107.32 101.62 1sie s GLY 91 Ca 0.23 0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.00 1sie s GLY 91 CO 0.15 0.40 0.89 0.70 0.00 0.00 0.00 173.10 175.24 1sie n ASN 92 N -3.39 0.00 -0.20 1.64 4.13 -1.26 -1.74 115.26 114.45 1sie n ASN 92 Ca 0.08 -1.65 0.02 0.00 1.68 0.00 0.00 54.58 54.70 1sie n ASN 92 Cb 0.54 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.81 1sie n ASN 92 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1sie n ASN 93 N -0.52 0.77 -0.86 6.41 6.94 -1.26 -4.32 115.26 122.41 1sie n ASN 93 Ca 0.01 -1.92 0.02 0.00 -0.02 0.00 0.00 54.58 52.66 1sie n ASN 93 Cb 0.00 -0.16 0.20 0.00 -2.36 0.00 0.00 39.78 37.47 1sie n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1sie n THR 94 N -0.36 2.36 -3.43 5.53 -1.04 -0.71 0.67 114.28 117.30 1sie n THR 94 Ca 0.03 -2.75 -0.26 0.00 -2.04 0.00 0.00 64.05 59.03 1sie n THR 94 Cb 0.56 -0.28 -0.11 0.00 -1.82 0.00 0.00 70.33 68.68 1sie n THR 94 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sie s LEU 95 N -3.16 0.77 0.11 -4.42 1.43 -1.24 -4.75 118.68 107.42 1sie s LEU 95 Ca 0.41 -2.15 -0.32 0.00 -1.03 0.00 0.00 54.13 51.05 1sie s LEU 95 Cb 0.38 -0.18 -0.11 0.00 0.03 0.00 0.00 46.19 46.30 1sie s LEU 95 CO -0.01 -0.28 1.80 -2.65 0.23 0.00 0.00 176.35 175.44 1sie n PRO 96 N 3.96 2.65 -4.89 1.29 -0.01 -1.26 -3.54 135.00 133.19 1sie n PRO 96 Ca 0.14 0.96 -0.32 0.00 -0.01 0.00 0.00 63.50 64.27 1sie n PRO 96 Cb 0.40 -2.83 -0.13 0.00 -0.01 0.00 0.00 33.50 30.92 1sie n PRO 96 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 175.50 176.44 1sie s THR 97 N 2.55 2.84 -0.08 3.45 -4.23 -1.19 -0.94 115.64 118.04 1sie s THR 97 Ca 0.82 -0.91 -0.37 0.00 -1.18 0.00 0.00 61.69 60.05 1sie s THR 97 Cb -0.53 -2.12 -0.15 0.00 1.34 0.00 0.00 72.50 71.04 1sie s THR 97 CO 0.39 0.52 1.62 0.79 -0.54 0.00 0.00 174.62 177.39 1sie n TRP 98 N 2.12 1.95 -3.45 3.99 7.02 0.10 -4.46 117.44 124.72 1sie n TRP 98 Ca -0.17 0.45 -0.38 0.00 -1.02 0.00 0.00 57.50 56.38 1sie n TRP 98 Cb 0.52 -2.46 -0.06 0.00 -2.42 0.00 0.00 31.31 26.89 1sie n TRP 98 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1sie s SER 99 N 2.33 6.78 0.28 -0.99 0.01 -1.04 -1.56 113.70 119.51 1sie s SER 99 Ca 0.91 0.92 -0.19 0.00 1.31 0.00 0.00 55.95 58.90 1sie s SER 99 Cb -0.92 -2.26 0.07 0.00 0.21 0.00 0.00 66.02 63.11 1sie s SER 99 CO 0.54 0.23 0.92 0.00 0.41 0.00 0.00 173.24 175.35 1sie s MET 100 N -0.59 1.77 0.02 12.44 0.23 -1.26 -1.02 119.30 130.89 1sie s MET 100 Ca 0.24 -1.15 -0.29 0.00 -1.03 0.00 0.00 55.69 53.46 1sie s MET 100 Cb -0.16 0.49 0.11 0.00 -1.53 0.00 0.00 34.83 33.74 1sie s MET 100 CO 0.12 -0.83 1.22 0.00 -2.03 0.00 0.00 175.02 173.50 1sie s ALA 101 N -2.15 -2.13 -0.02 3.16 0.00 -0.56 -4.93 121.76 115.12 1sie s ALA 101 Ca 0.19 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1sie s ALA 101 Cb -0.04 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1sie s ALA 101 CO 0.08 -1.06 -0.05 0.21 0.00 0.00 0.00 175.76 174.95 1sie s LYS 102 N -2.56 0.61 -0.13 0.00 2.20 -1.26 -0.97 119.74 117.63 1sie s LYS 102 Ca 0.15 -0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 55.47 1sie s LYS 102 Cb 0.03 -0.63 -0.05 0.00 -1.51 0.00 0.00 37.83 35.68 1sie s LYS 102 CO -0.02 0.00 0.38 -0.51 -0.36 0.00 0.00 175.35 174.84 1sie s LEU 103 N 0.46 4.27 -0.24 5.43 2.01 0.16 -4.88 118.68 125.89 1sie s LEU 103 Ca -0.06 0.66 -0.13 0.00 0.01 0.00 0.00 54.13 54.62 1sie s LEU 103 Cb -0.09 -2.52 -0.04 0.00 0.01 0.00 0.00 46.19 43.55 1sie s LEU 103 CO -0.00 0.08 0.29 -1.58 1.01 0.00 0.00 176.35 176.14 1sie s GLN 104 N 0.42 4.07 0.33 1.70 2.00 -1.26 -1.08 119.66 125.83 1sie s GLN 104 Ca 0.21 -0.06 0.08 0.00 -2.00 0.00 0.00 55.36 53.58 1sie s GLN 104 Cb -0.14 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.05 1sie s GLN 104 CO 0.07 -0.09 0.26 -0.51 -0.50 0.00 0.00 175.29 174.52 1sie s LEU 105 N 1.49 3.57 1.40 3.68 1.02 0.23 -4.99 118.68 125.09 1sie s LEU 105 Ca 0.13 -0.51 -0.22 0.00 0.02 0.00 0.00 54.13 53.55 1sie s LEU 105 Cb -0.15 -2.16 0.36 0.00 0.02 0.00 0.00 46.19 44.26 1sie s LEU 105 CO 0.08 -0.32 0.94 -2.84 0.02 0.00 0.00 176.35 174.23 1sie s PRO 106 N -3.96 -2.78 -0.04 1.29 0.02 -1.26 -4.68 135.00 123.59 1sie s PRO 106 Ca 0.40 0.17 0.03 0.00 0.02 0.00 0.00 61.00 61.61 1sie s PRO 106 Cb -0.06 -1.39 -0.03 0.00 0.02 0.00 0.00 34.50 33.04 1sie s PRO 106 CO 0.26 -4.78 -0.12 -1.64 -0.33 0.00 0.00 177.00 170.39 1sie s MET 107 N -5.05 2.55 0.00 5.54 -1.94 -1.26 -4.78 119.30 114.35 1sie s MET 107 Ca 0.69 -0.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.99 1sie s MET 107 Cb -0.14 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.27 1sie s MET 107 CO 0.58 0.63 0.00 1.28 -0.01 0.00 0.00 175.02 177.50 1sie n LEU 108 N 2.18 0.00 -4.96 -0.03 4.32 -1.26 -5.12 117.00 112.13 1sie n LEU 108 Ca -0.17 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.58 1sie n LEU 108 Cb 0.52 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.39 1sie n LEU 108 CO 0.26 -0.31 0.51 0.20 -1.22 0.00 0.00 177.39 176.84 1sie s ASN 109 N -0.91 4.89 0.44 -1.43 0.01 -1.26 -4.92 114.94 111.76 1sie s ASN 109 Ca 0.00 0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.33 1sie s ASN 109 Cb 0.00 -0.84 -0.03 0.00 0.41 0.00 0.00 41.25 40.78 1sie s ASN 109 CO 0.00 -1.48 0.05 -1.61 -1.51 0.00 0.00 177.10 172.55 1sie s GLU 110 N -5.05 2.00 -0.36 -0.60 2.02 -1.26 -2.45 118.70 112.99 1sie s GLU 110 Ca 0.60 -2.22 0.01 0.00 0.02 0.00 0.00 54.97 53.38 1sie s GLU 110 Cb -0.10 -1.20 0.28 0.00 0.10 0.00 0.00 34.13 33.22 1sie s GLU 110 CO 0.42 -0.32 1.20 -3.47 0.02 0.00 0.00 175.26 173.12 1sie n ASP 111 N -1.14 -1.62 0.29 -0.19 2.03 -1.10 -4.98 116.55 109.84 1sie n ASP 111 Ca -0.11 -2.17 0.14 0.00 0.52 0.00 0.00 54.79 53.18 1sie n ASP 111 Cb 0.66 1.05 0.70 0.00 -0.72 0.00 0.00 41.12 42.81 1sie n ASP 111 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1sie h LEU 112 N 3.11 0.00 0.38 -2.67 3.38 -1.94 0.48 115.31 118.06 1sie h LEU 112 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1sie h LEU 112 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1sie h LEU 112 CO -0.05 0.00 -0.52 0.74 0.09 0.00 0.00 178.44 178.70 1sie h THR 113 N 0.00 0.00 -0.66 0.22 2.02 -1.93 -2.88 112.91 109.68 1sie h THR 113 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1sie h THR 113 Cb 0.95 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1sie h THR 113 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1sie n ASP 115 N 1.42 -0.39 -4.10 0.00 2.03 0.13 -4.86 116.55 110.77 1sie n ASP 115 Ca 0.22 -1.19 -0.17 0.00 0.52 0.00 0.00 54.79 54.17 1sie n ASP 115 Cb 0.56 -2.01 -0.13 0.00 -0.72 0.00 0.00 41.12 38.83 1sie n ASP 115 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1sie s THR 116 N -3.93 0.86 0.10 5.18 -1.32 -1.06 -1.48 115.64 113.99 1sie s THR 116 Ca 0.27 -1.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.76 1sie s THR 116 Cb -0.15 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1sie s THR 116 CO 0.98 -0.15 -0.03 -1.48 -2.21 0.00 0.00 174.62 171.73 1sie s LEU 117 N -1.28 2.35 -0.00 9.08 0.05 -0.55 -2.72 118.68 125.61 1sie s LEU 117 Ca -0.03 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.10 1sie s LEU 117 Cb -0.08 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.06 1sie s LEU 117 CO 0.01 -0.55 0.05 0.00 -0.55 0.00 0.00 176.35 175.31 1sie s GLN 118 N -3.90 2.94 0.18 1.48 -2.07 -1.03 0.83 119.66 118.10 1sie s GLN 118 Ca 0.14 -0.54 0.04 0.00 -1.82 0.00 0.00 55.36 53.18 1sie s GLN 118 Cb 0.06 -2.78 -0.05 0.00 -1.09 0.00 0.00 33.01 29.16 1sie s GLN 118 CO -0.04 0.64 -0.06 -1.64 -1.32 0.00 0.00 175.29 172.87 1sie s MET 119 N -1.68 1.18 -0.36 9.60 -1.94 0.95 -4.60 119.30 122.45 1sie s MET 119 Ca 0.22 -1.55 -0.29 0.00 -1.71 0.00 0.00 55.69 52.36 1sie s MET 119 Cb -0.12 -0.62 0.00 0.00 2.01 0.00 0.00 34.83 36.11 1sie s MET 119 CO 0.13 0.00 1.41 -1.58 -0.01 0.00 0.00 175.02 174.97 1sie s TRP 120 N -3.37 2.44 -0.30 -0.03 0.23 -1.26 -1.37 118.94 115.28 1sie s TRP 120 Ca 0.22 0.72 -0.05 0.00 -2.03 0.00 0.00 56.10 54.96 1sie s TRP 120 Cb 0.04 -4.16 0.03 0.00 0.03 0.00 0.00 33.47 29.41 1sie s TRP 120 CO 0.04 -2.01 0.05 -2.00 0.96 0.00 0.00 176.95 173.99 1sie s GLU 121 N 4.72 2.76 0.36 4.98 -6.30 0.15 0.13 118.70 125.50 1sie s GLU 121 Ca 0.61 -1.06 -0.25 0.00 -2.50 0.00 0.00 54.97 51.77 1sie s GLU 121 Cb -0.16 -3.30 -0.10 0.00 0.00 0.00 0.00 34.13 30.58 1sie s GLU 121 CO 0.30 -0.54 1.00 0.00 0.02 0.00 0.00 175.26 176.03 1sie s ALA 122 N 1.39 3.16 0.10 6.30 0.00 0.06 -0.15 121.76 132.62 1sie s ALA 122 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1sie s ALA 122 Cb -0.18 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1sie s ALA 122 CO 0.01 -0.01 0.00 0.28 0.00 0.00 0.00 175.76 176.03 1sie n VAL 123 N 0.25 0.50 -4.03 0.00 0.31 0.35 -2.74 118.33 112.96 1sie n VAL 123 Ca 0.03 0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1sie n VAL 123 Cb 0.50 -1.20 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 1sie n VAL 123 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1sie s SER 124 N -5.40 0.38 -0.12 4.52 1.04 -1.20 0.12 113.70 113.04 1sie s SER 124 Ca 0.00 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 1sie s SER 124 Cb 0.00 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1sie s SER 124 CO 0.00 -0.52 0.28 0.54 0.98 0.00 0.00 173.24 174.53 1sie s VAL 125 N -3.12 -0.03 0.17 5.02 0.11 0.18 -1.95 120.40 120.78 1sie s VAL 125 Ca -0.00 0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1sie s VAL 125 Cb 0.02 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.38 1sie s VAL 125 CO -0.07 0.05 0.43 -0.54 -3.33 0.00 0.00 175.10 171.64 1sie s LYS 126 N 1.20 3.67 0.10 1.54 1.02 -0.68 -1.02 119.74 125.58 1sie s LYS 126 Ca -0.09 0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.82 1sie s LYS 126 Cb -0.09 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1sie s LYS 126 CO -0.09 0.42 0.25 -0.08 -0.92 0.00 0.00 175.35 174.93 1sie s THR 127 N -1.71 0.12 -0.14 2.17 -1.32 -1.26 -0.32 115.64 113.18 1sie s THR 127 Ca 0.43 -1.02 -0.29 0.00 -1.21 0.00 0.00 61.69 59.60 1sie s THR 127 Cb -0.12 -1.30 0.09 0.00 -1.51 0.00 0.00 72.50 69.66 1sie s THR 127 CO 0.24 -0.55 0.81 -0.70 -2.21 0.00 0.00 174.62 172.20 1sie s GLU 128 N -3.85 0.84 -0.17 7.08 2.12 -0.97 -4.93 118.70 118.82 1sie s GLU 128 Ca 0.05 0.39 -0.05 0.00 0.36 0.00 0.00 54.97 55.71 1sie s GLU 128 Cb 0.04 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.80 1sie s GLU 128 CO -0.11 -0.22 0.00 0.08 -0.54 0.00 0.00 175.26 174.47 1sie s VAL 129 N -0.75 4.23 0.03 3.70 1.01 -1.26 0.72 120.40 128.07 1sie s VAL 129 Ca -0.05 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1sie s VAL 129 Cb -0.02 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1sie s VAL 129 CO 0.04 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.72 1sie s VAL 130 N 0.46 2.61 0.00 2.92 1.01 -0.08 -4.60 120.40 122.72 1sie s VAL 130 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1sie s VAL 130 Cb -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1sie s VAL 130 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1sie n GLY 131 N 1.77 1.05 0.39 4.51 0.00 -1.26 -4.15 105.19 107.50 1sie n GLY 131 Ca -0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.03 1sie n GLY 131 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sie h SER 132 N 0.00 0.35 -0.80 1.61 0.02 -2.00 0.84 113.55 113.57 1sie h SER 132 Ca 0.00 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1sie h SER 132 Cb 0.00 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.42 1sie h SER 132 CO 0.00 0.17 0.43 1.23 -1.14 0.00 0.00 176.83 177.51 1sie h GLY 133 N 0.36 1.25 -0.43 -3.77 0.00 -1.97 0.17 103.07 98.69 1sie h GLY 133 Ca 0.39 -0.27 0.32 0.00 0.00 0.00 0.00 47.33 47.78 1sie h GLY 133 CO -0.12 0.05 0.73 0.23 0.00 0.00 0.00 176.54 177.43 1sie h SER 134 N 0.68 0.36 0.00 0.19 0.87 0.31 -0.16 113.55 115.80 1sie h SER 134 Ca 0.41 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1sie h SER 134 Cb 0.46 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1sie h SER 134 CO -0.29 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.19 1sie n LEU 135 N -4.62 0.50 -0.41 2.23 4.32 0.05 -1.61 117.00 117.46 1sie n LEU 135 Ca 0.29 -0.25 0.05 0.00 -0.02 0.00 0.00 56.01 56.07 1sie n LEU 135 Cb 1.06 -0.22 0.05 0.00 -1.62 0.00 0.00 43.42 42.69 1sie n LEU 135 CO 0.25 0.12 0.43 0.18 -1.22 0.00 0.00 177.39 177.14 1sie n LEU 136 N 0.33 1.92 -4.64 2.23 4.77 -0.07 -4.70 117.00 116.83 1sie n LEU 136 Ca 0.00 -1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 54.45 1sie n LEU 136 Cb 0.12 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1sie n LEU 136 CO 0.00 0.39 1.02 -0.62 -1.33 0.00 0.00 177.39 176.85 1sie s ASP 137 N -0.83 6.86 -0.12 -1.43 -1.08 -0.63 -4.83 116.67 114.60 1sie s ASP 137 Ca 0.12 1.17 0.17 0.00 -0.52 0.00 0.00 52.55 53.49 1sie s ASP 137 Cb 0.08 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.27 1sie s ASP 137 CO 0.12 -0.92 1.14 1.33 0.52 0.00 0.00 175.17 177.36 1sie n VAL 138 N 5.90 1.77 -1.73 1.11 0.24 -1.26 -4.84 118.33 119.52 1sie n VAL 138 Ca 0.13 -2.12 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 1sie n VAL 138 Cb 0.47 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1sie n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sie n HIS 139 N -1.34 0.00 -0.01 6.34 -0.00 -1.26 -0.08 115.22 118.87 1sie n HIS 139 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 1sie n HIS 139 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.61 1sie n HIS 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sie n GLY 140 N 5.00 -1.63 3.27 -1.39 0.00 -1.26 -4.39 105.19 104.79 1sie n GLY 140 Ca 0.00 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 1sie n GLY 140 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sie s PHE 141 N -1.55 3.82 0.36 1.61 2.19 -1.26 -4.66 117.98 118.50 1sie s PHE 141 Ca 0.00 -2.34 0.09 0.00 0.33 0.00 0.00 56.93 55.00 1sie s PHE 141 Cb 0.00 -3.67 -0.06 0.00 -1.31 0.00 0.00 43.02 37.98 1sie s PHE 141 CO 0.00 -0.94 -0.01 -0.80 1.83 0.00 0.00 175.22 175.31 1sie s ASN 142 N 1.55 4.02 0.14 6.13 -0.87 -1.26 -2.44 114.94 122.21 1sie s ASN 142 Ca 0.21 -1.11 -0.35 0.00 -1.57 0.00 0.00 52.86 50.04 1sie s ASN 142 Cb -0.11 -0.45 -0.15 0.00 -0.02 0.00 0.00 41.25 40.51 1sie s ASN 142 CO -0.08 -0.28 1.50 0.29 -2.57 0.00 0.00 177.10 175.95 1sie n LYS 143 N -0.93 1.81 -1.38 -0.60 5.02 0.83 -3.90 118.16 119.01 1sie n LYS 143 Ca -0.04 0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 56.60 1sie n LYS 143 Cb 0.64 -2.38 0.09 0.00 -0.02 0.00 0.00 35.03 33.36 1sie n LYS 143 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1sie s PRO 144 N 0.77 2.16 0.05 1.97 0.02 -1.26 -1.68 135.00 137.03 1sie s PRO 144 Ca 0.81 0.93 -0.33 0.00 0.02 0.00 0.00 61.00 62.43 1sie s PRO 144 Cb -0.77 -1.90 -0.18 0.00 0.02 0.00 0.00 34.50 31.66 1sie s PRO 144 CO 0.41 -1.64 1.47 1.15 -0.33 0.00 0.00 177.00 178.06 1sie h THR 145 N -1.12 0.00 -2.94 0.99 2.02 0.04 -3.37 112.91 108.53 1sie h THR 145 Ca -0.46 -0.03 -0.69 0.00 0.77 0.00 0.00 66.41 66.01 1sie h THR 145 Cb 1.25 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.47 1sie h THR 145 CO 0.55 0.00 0.16 -0.62 0.37 0.00 0.00 175.52 175.98 1sie s ASP 146 N -3.83 6.19 0.08 4.18 2.15 0.97 -4.91 116.67 121.50 1sie s ASP 146 Ca -0.17 -1.27 -0.25 0.00 0.43 0.00 0.00 52.55 51.29 1sie s ASP 146 Cb 0.02 -2.31 -0.16 0.00 -0.30 0.00 0.00 42.92 40.16 1sie s ASP 146 CO 0.52 -1.11 1.67 0.71 -0.17 0.00 0.00 175.17 176.79 1sie h THR 147 N 5.92 0.93 0.00 1.71 1.35 -1.80 0.91 112.91 121.93 1sie h THR 147 Ca -0.29 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1sie h THR 147 Cb 1.09 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1sie h THR 147 CO 1.08 0.03 0.00 0.52 -0.25 0.00 0.00 175.52 176.90 1sie n VAL 148 N -5.13 0.00 1.55 6.82 0.31 -1.26 0.37 118.33 120.99 1sie n VAL 148 Ca -0.08 0.49 0.15 0.00 -0.01 0.00 0.00 64.34 64.88 1sie n VAL 148 Cb 0.10 -0.72 0.71 0.00 -0.91 0.00 0.00 33.84 33.03 1sie n VAL 148 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1sie n ASN 149 N -0.91 0.32 -2.63 4.52 3.02 -1.26 -4.90 115.26 113.43 1sie n ASN 149 Ca 0.00 -0.62 -0.06 0.00 -0.03 0.00 0.00 54.58 53.86 1sie n ASN 149 Cb 0.00 -0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1sie n ASN 149 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sie n THR 150 N -0.97 -6.76 -4.38 3.41 -1.04 0.16 -5.06 114.28 99.64 1sie n THR 150 Ca 0.17 -0.63 -0.20 0.00 -2.04 0.00 0.00 64.05 61.34 1sie n THR 150 Cb 0.24 -5.54 -0.06 0.00 -1.82 0.00 0.00 70.33 63.15 1sie n THR 150 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1sie n LYS 151 N -2.23 0.57 0.00 -2.82 3.00 0.31 -4.99 118.16 111.99 1sie n LYS 151 Ca -0.03 -2.92 0.00 0.00 -0.00 0.00 0.00 58.31 55.36 1sie n LYS 151 Cb 0.55 1.76 0.00 0.00 0.00 0.00 0.00 35.03 37.34 1sie n LYS 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sie n GLY 152 N -0.39 0.56 3.09 3.14 0.00 -1.26 -0.02 105.19 110.30 1sie n GLY 152 Ca -0.02 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 1sie n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sie s ILE 153 N 0.00 0.83 -1.02 -0.61 -1.09 -1.26 -4.83 121.20 113.22 1sie s ILE 153 Ca 0.00 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.34 1sie s ILE 153 Cb 0.00 -0.77 0.07 0.00 -1.58 0.00 0.00 42.46 40.18 1sie s ILE 153 CO 0.00 -0.07 1.40 -0.55 -1.23 0.00 0.00 174.94 174.49 1sie s SER 154 N -1.04 6.55 -0.02 3.58 0.15 0.89 -1.13 113.70 122.69 1sie s SER 154 Ca -0.01 -1.65 -0.02 0.00 0.70 0.00 0.00 55.95 54.97 1sie s SER 154 Cb -0.07 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 1sie s SER 154 CO 0.01 -1.38 0.07 0.41 1.20 0.00 0.00 173.24 173.54 1sie n THR 155 N 6.53 0.00 -0.51 6.45 -1.04 -0.67 -4.57 114.28 120.47 1sie n THR 155 Ca 0.32 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 62.06 1sie n THR 155 Cb 0.50 -0.02 0.21 0.00 -1.82 0.00 0.00 70.33 69.20 1sie n THR 155 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1sie n PRO 156 N 0.22 -2.63 -2.30 -2.82 -0.04 -1.26 -4.58 135.00 121.58 1sie n PRO 156 Ca 0.02 -0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 62.29 1sie n PRO 156 Cb -0.00 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 1sie n PRO 156 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sie s VAL 157 N -2.18 3.73 0.28 0.52 1.01 -1.26 -4.79 120.40 117.70 1sie s VAL 157 Ca 0.54 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1sie s VAL 157 Cb -0.12 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1sie s VAL 157 CO 0.55 0.08 0.33 -0.62 0.00 0.00 0.00 175.10 175.43 1sie n GLU 158 N 4.20 0.47 0.00 2.72 1.02 -0.94 -4.59 120.64 123.53 1sie n GLU 158 Ca 0.11 -2.50 0.00 0.00 -0.02 0.00 0.00 57.16 54.74 1sie n GLU 158 Cb 0.44 2.23 0.00 0.00 -0.02 0.00 0.00 31.44 34.10 1sie n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sie n GLY 159 N -0.50 -1.41 3.71 0.62 0.00 -0.24 0.56 105.19 107.94 1sie n GLY 159 Ca 0.03 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1sie n GLY 159 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sie s SER 160 N -4.00 3.62 0.05 1.61 0.01 0.04 -4.44 113.70 110.60 1sie s SER 160 Ca 0.00 2.10 -0.09 0.00 1.31 0.00 0.00 55.95 59.28 1sie s SER 160 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 1sie s SER 160 CO 0.00 -2.63 0.18 0.00 0.41 0.00 0.00 173.24 171.19 1sie s GLN 161 N -4.60 0.71 -0.19 12.44 -2.07 -0.63 -2.65 119.66 122.67 1sie s GLN 161 Ca 0.66 -0.73 -0.15 0.00 -1.82 0.00 0.00 55.36 53.32 1sie s GLN 161 Cb -0.22 0.29 0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1sie s GLN 161 CO 0.55 -0.21 0.48 -0.47 -1.32 0.00 0.00 175.29 174.33 1sie s TYR 162 N -2.90 -0.59 -0.10 9.60 6.14 -0.55 -2.29 117.35 126.66 1sie s TYR 162 Ca -0.02 1.36 -0.04 0.00 0.64 0.00 0.00 57.07 59.00 1sie s TYR 162 Cb 0.00 0.23 0.05 0.00 0.42 0.00 0.00 41.96 42.67 1sie s TYR 162 CO -0.06 -0.29 0.20 -1.01 0.64 0.00 0.00 175.55 175.03 1sie s HIS 163 N 0.60 -0.27 0.12 4.97 3.76 -1.09 0.75 115.29 124.13 1sie s HIS 163 Ca -0.03 0.72 -0.10 0.00 -0.15 0.00 0.00 55.06 55.51 1sie s HIS 163 Cb -0.05 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.54 1sie s HIS 163 CO -0.04 -0.27 0.26 0.08 -0.85 0.00 0.00 174.74 173.92 1sie s VAL 164 N 1.95 0.11 0.07 -0.90 1.01 -0.72 -0.33 120.40 121.59 1sie s VAL 164 Ca -0.02 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 1sie s VAL 164 Cb -0.12 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.87 1sie s VAL 164 CO -0.07 -0.48 1.11 0.72 0.00 0.00 0.00 175.10 176.37 1sie s PHE 165 N -3.89 -0.10 0.30 5.22 -0.12 0.30 0.11 117.98 119.80 1sie s PHE 165 Ca 0.09 -0.11 -0.18 0.00 -0.05 0.00 0.00 56.93 56.68 1sie s PHE 165 Cb 0.04 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1sie s PHE 165 CO -0.07 -0.56 0.69 0.00 -0.05 0.00 0.00 175.22 175.22 1sie s ALA 166 N -2.89 -0.91 -0.15 1.99 0.00 0.21 0.29 121.76 120.30 1sie s ALA 166 Ca 0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1sie s ALA 166 Cb 0.01 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.04 1sie s ALA 166 CO -0.01 -0.99 0.35 0.08 0.00 0.00 0.00 175.76 175.19 1sie s VAL 167 N -3.56 -0.03 0.20 0.00 1.01 0.25 -1.85 120.40 116.42 1sie s VAL 167 Ca 0.14 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 1sie s VAL 167 Cb -0.05 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.85 1sie s VAL 167 CO 0.09 0.04 0.83 -0.83 0.00 0.00 0.00 175.10 175.23 1sie s GLY 168 N 1.27 -0.21 -0.55 4.51 0.00 -0.47 -0.54 107.32 111.34 1sie s GLY 168 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 1sie s GLY 168 CO -0.10 -0.01 2.01 0.61 0.00 0.00 0.00 173.10 175.61 1sie n GLY 169 N -0.45 5.23 0.00 0.20 0.00 -0.86 0.37 105.19 109.67 1sie n GLY 169 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1sie n GLY 169 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sie n GLU 170 N -0.55 0.00 -0.71 1.61 0.28 -1.26 -2.69 120.64 117.31 1sie n GLU 170 Ca 0.52 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.24 1sie n GLU 170 Cb 0.70 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.82 1sie n GLU 170 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1sie s PRO 171 N -2.00 -1.11 -0.07 3.44 0.04 -1.26 -4.71 135.00 129.33 1sie s PRO 171 Ca 0.00 0.50 -0.28 0.00 0.04 0.00 0.00 61.00 61.27 1sie s PRO 171 Cb 0.00 -1.56 -0.02 0.00 0.04 0.00 0.00 34.50 32.96 1sie s PRO 171 CO 0.00 -3.77 0.90 -1.17 0.04 0.00 0.00 177.00 173.00 1sie s LEU 172 N -7.16 4.29 -0.19 -3.56 0.20 -1.26 -4.85 118.68 106.15 1sie s LEU 172 Ca 0.68 1.44 -0.22 0.00 0.69 0.00 0.00 54.13 56.72 1sie s LEU 172 Cb -0.20 -3.40 -0.02 0.00 -0.43 0.00 0.00 46.19 42.14 1sie s LEU 172 CO 0.61 -0.30 0.68 -1.81 -0.29 0.00 0.00 176.35 175.24 1sie s ASP 173 N 1.01 6.75 0.28 3.68 1.11 -1.26 -1.91 116.67 126.32 1sie s ASP 173 Ca 0.45 0.91 0.04 0.00 0.18 0.00 0.00 52.55 54.14 1sie s ASP 173 Cb -0.19 -2.37 -0.06 0.00 1.07 0.00 0.00 42.92 41.37 1sie s ASP 173 CO 0.21 -0.30 0.01 -1.48 1.18 0.00 0.00 175.17 174.78 1sie s LEU 174 N 1.98 2.24 -0.00 1.23 0.05 -1.17 -2.09 118.68 120.93 1sie s LEU 174 Ca 0.31 -1.28 0.02 0.00 0.05 0.00 0.00 54.13 53.23 1sie s LEU 174 Cb -0.16 -0.40 -0.01 0.00 -2.05 0.00 0.00 46.19 43.58 1sie s LEU 174 CO 0.11 -0.51 -0.07 -1.58 -0.55 0.00 0.00 176.35 173.74 1sie s GLN 175 N -3.85 0.58 0.12 1.48 -0.44 0.24 -1.83 119.66 115.96 1sie s GLN 175 Ca 0.32 -0.28 0.07 0.00 -2.50 0.00 0.00 55.36 52.96 1sie s GLN 175 Cb 0.06 -0.55 -0.04 0.00 -1.64 0.00 0.00 33.01 30.84 1sie s GLN 175 CO 0.12 0.15 -0.05 0.20 0.50 0.00 0.00 175.29 176.22 1sie s GLY 176 N -0.24 1.81 -0.20 2.59 0.00 -0.30 0.53 107.32 111.52 1sie s GLY 176 Ca 0.02 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 1sie s GLY 176 CO -0.00 -1.24 0.46 1.08 0.00 0.00 0.00 173.10 173.40 1sie s LEU 177 N -2.44 -0.45 0.40 0.66 1.43 -0.56 -4.13 118.68 113.58 1sie s LEU 177 Ca 0.24 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.46 1sie s LEU 177 Cb -0.11 1.53 -0.05 0.00 0.03 0.00 0.00 46.19 47.59 1sie s LEU 177 CO 0.16 -0.21 0.18 0.54 0.23 0.00 0.00 176.35 177.25 1sie s VAL 178 N 1.95 2.49 0.00 -1.59 0.11 -1.18 -4.64 120.40 117.54 1sie s VAL 178 Ca -0.07 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.31 1sie s VAL 178 Cb -0.09 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1sie s VAL 178 CO -0.14 -0.05 0.38 0.35 -3.33 0.00 0.00 175.10 172.31 1sie n THR 179 N -1.24 0.00 -3.75 5.04 -2.24 -1.26 -4.28 114.28 106.55 1sie n THR 179 Ca -0.01 0.80 -0.38 0.00 -2.27 0.00 0.00 64.05 62.19 1sie n THR 179 Cb 0.64 -1.65 -0.12 0.00 -2.10 0.00 0.00 70.33 67.09 1sie n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sie s ASP 180 N -2.25 5.32 0.25 3.42 1.01 -1.26 -4.80 116.67 118.36 1sie s ASP 180 Ca 0.00 -1.18 0.11 0.00 0.71 0.00 0.00 52.55 52.19 1sie s ASP 180 Cb 0.00 -1.87 0.58 0.00 1.01 0.00 0.00 42.92 42.64 1sie s ASP 180 CO 0.00 -0.34 1.21 0.00 0.21 0.00 0.00 175.17 176.25 1sie n ALA 181 N 4.81 0.66 1.13 5.23 0.00 -1.26 0.40 120.51 131.47 1sie n ALA 181 Ca -0.12 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1sie n ALA 181 Cb 0.44 -0.79 0.42 0.00 0.00 0.00 0.00 19.45 19.53 1sie n ALA 181 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1sie n ARG 182 N -1.90 0.28 -1.71 0.00 1.85 -1.26 -4.47 116.66 109.45 1sie n ARG 182 Ca -0.01 -0.13 -0.43 0.00 -1.00 0.00 0.00 57.85 56.29 1sie n ARG 182 Cb 0.27 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.15 1sie n ARG 182 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1sie n THR 183 N -1.25 0.19 -1.65 8.89 -1.04 0.16 -4.70 114.28 114.89 1sie n THR 183 Ca 0.09 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 1sie n THR 183 Cb 0.33 -1.91 -0.01 0.00 -1.82 0.00 0.00 70.33 66.92 1sie n THR 183 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1sie n LYS 184 N 3.54 2.63 -1.65 -2.82 4.01 0.30 -4.95 118.16 119.23 1sie n LYS 184 Ca 0.15 -2.49 -0.31 0.00 -0.51 0.00 0.00 58.31 55.15 1sie n LYS 184 Cb 0.34 -3.23 0.04 0.00 -0.51 0.00 0.00 35.03 31.67 1sie n LYS 184 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1sie s TYR 185 N 3.55 3.24 0.41 2.13 2.02 -1.26 -3.96 117.35 123.48 1sie s TYR 185 Ca 0.49 1.39 -0.13 0.00 -0.37 0.00 0.00 57.07 58.45 1sie s TYR 185 Cb 0.14 -2.84 -0.07 0.00 -0.40 0.00 0.00 41.96 38.78 1sie s TYR 185 CO -0.05 -1.10 0.80 0.15 -1.57 0.00 0.00 175.55 173.78 1sie s LYS 186 N -5.08 3.87 0.17 -0.62 3.01 -1.26 -4.88 119.74 114.94 1sie s LYS 186 Ca 0.57 0.61 0.26 0.00 -1.01 0.00 0.00 55.97 56.41 1sie s LYS 186 Cb -0.13 -2.35 0.85 0.00 -1.01 0.00 0.00 37.83 35.19 1sie s LYS 186 CO 0.55 -0.03 1.77 0.39 0.51 0.00 0.00 175.35 178.53 1sie n GLU 187 N -1.12 0.22 -3.98 1.68 -0.58 -1.26 -4.73 120.64 110.86 1sie n GLU 187 Ca 0.03 0.17 -0.36 0.00 -0.42 0.00 0.00 57.16 56.59 1sie n GLU 187 Cb 0.54 -1.74 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1sie n GLU 187 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sie s GLU 188 N -3.09 3.59 -1.88 3.49 2.56 -1.26 -4.71 118.70 117.40 1sie s GLU 188 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.97 54.83 1sie s GLU 188 Cb 0.14 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 33.11 1sie s GLU 188 CO 0.59 0.58 0.00 0.41 -0.56 0.00 0.00 175.26 176.28 1sie n GLY 189 N 2.60 0.73 3.52 -1.50 0.00 -1.26 -4.96 105.19 104.33 1sie n GLY 189 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 1sie n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sie s VAL 190 N -2.81 0.00 -0.36 1.61 -7.23 -1.26 -4.92 120.40 105.43 1sie s VAL 190 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.04 1sie s VAL 190 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1sie s VAL 190 CO 0.00 0.00 0.24 -0.69 -0.31 0.00 0.00 175.10 174.34 1sie s VAL 191 N -1.32 5.07 0.34 1.32 1.01 -0.52 -4.89 120.40 121.41 1sie s VAL 191 Ca -0.09 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1sie s VAL 191 Cb -0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1sie s VAL 191 CO 0.07 -0.12 0.08 -0.89 0.00 0.00 0.00 175.10 174.25 1sie s THR 192 N 1.67 2.78 0.58 3.92 2.01 -1.26 -4.44 115.64 120.89 1sie s THR 192 Ca 0.05 -1.84 0.34 0.00 0.31 0.00 0.00 61.69 60.55 1sie s THR 192 Cb -0.18 -2.89 0.49 0.00 0.01 0.00 0.00 72.50 69.94 1sie s THR 192 CO 0.09 -0.18 1.65 0.16 -0.69 0.00 0.00 174.62 175.65 1sie h ILE 193 N 1.68 0.22 0.05 1.82 -0.00 -1.96 1.06 117.51 120.37 1sie h ILE 193 Ca -0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.43 1sie h ILE 193 Cb 1.25 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.36 1sie h ILE 193 CO 0.66 0.00 -0.03 0.07 -0.00 0.00 0.00 178.15 178.85 1sie h LYS 194 N 0.00 -0.07 -1.06 0.16 2.10 -1.84 0.93 116.57 116.79 1sie h LYS 194 Ca 0.51 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 59.45 1sie h LYS 194 Cb 2.40 0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 33.66 1sie h LYS 194 CO -0.01 0.42 0.69 1.15 -2.00 0.00 0.00 179.45 179.70 1sie h THR 195 N -0.96 0.49 0.09 0.07 2.02 0.61 1.18 112.91 116.41 1sie h THR 195 Ca -0.01 -0.12 -0.29 0.00 0.77 0.00 0.00 66.41 66.76 1sie h THR 195 Cb 0.52 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1sie h THR 195 CO 0.01 0.06 -1.55 -0.29 0.37 0.00 0.00 175.52 174.13 1sie h ILE 196 N 0.35 0.88 -3.63 3.11 6.09 -0.38 -3.42 117.51 120.51 1sie h ILE 196 Ca 0.61 -2.33 -0.64 0.00 -1.37 0.00 0.00 64.86 61.12 1sie h ILE 196 Cb 1.61 2.54 -0.39 0.00 0.47 0.00 0.00 36.82 41.05 1sie h ILE 196 CO -0.29 0.67 -0.75 0.28 -3.07 0.00 0.00 178.15 174.99 1sie s THR 197 N -2.47 1.94 0.00 2.19 -1.32 0.40 -4.98 115.64 111.39 1sie s THR 197 Ca -0.23 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 1sie s THR 197 Cb 0.05 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.72 1sie s THR 197 CO 0.73 -0.43 0.00 0.29 -2.21 0.00 0.00 174.62 172.99 1sie n LYS 198 N 4.44 0.00 -1.72 7.08 4.76 -0.56 -3.80 118.16 128.35 1sie n LYS 198 Ca -0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1sie n LYS 198 Cb 0.42 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.58 1sie n LYS 198 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sie s LYS 199 N -2.43 4.14 0.96 1.97 1.02 -1.26 -4.82 119.74 119.32 1sie s LYS 199 Ca 0.00 2.58 -0.13 0.00 0.02 0.00 0.00 55.97 58.44 1sie s LYS 199 Cb 0.00 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1sie s LYS 199 CO 0.00 -0.85 0.19 -0.25 -0.92 0.00 0.00 175.35 173.52 1sie n ASP 200 N 5.86 -2.80 -4.73 2.83 9.92 -1.26 -4.69 116.55 121.68 1sie n ASP 200 Ca 0.18 0.30 -0.33 0.00 -0.53 0.00 0.00 54.79 54.41 1sie n ASP 200 Cb 0.39 -1.13 0.10 0.00 -0.64 0.00 0.00 41.12 39.84 1sie n ASP 200 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1sie s MET 201 N -3.34 2.08 0.37 -1.24 -1.94 -1.26 -5.02 119.30 108.95 1sie s MET 201 Ca 0.54 1.50 0.02 0.00 -1.71 0.00 0.00 55.69 56.04 1sie s MET 201 Cb -0.20 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.77 1sie s MET 201 CO 0.70 -1.83 0.08 0.28 -0.01 0.00 0.00 175.02 174.25 1sie n VAL 202 N -3.15 0.00 -0.05 -6.03 0.31 -1.26 -4.87 118.33 103.27 1sie n VAL 202 Ca 0.11 -1.99 -0.00 0.00 -0.01 0.00 0.00 64.34 62.45 1sie n VAL 202 Cb 0.52 0.60 0.28 0.00 -0.91 0.00 0.00 33.84 34.33 1sie n VAL 202 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1sie h ASN 203 N 1.24 0.60 -0.70 4.52 -1.07 -1.97 -2.88 115.58 115.32 1sie h ASN 203 Ca -0.29 -0.09 0.14 0.00 0.07 0.00 0.00 56.30 56.13 1sie h ASN 203 Cb 1.03 -0.15 -0.10 0.00 -2.07 0.00 0.00 38.32 37.03 1sie h ASN 203 CO 0.48 0.59 0.19 0.11 0.07 0.00 0.00 177.43 178.87 1sie h LYS 204 N 0.64 0.30 -0.41 4.14 1.57 -1.96 0.31 116.57 121.15 1sie h LYS 204 Ca 0.15 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1sie h LYS 204 Cb 0.22 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1sie h LYS 204 CO -0.01 0.20 0.10 -0.44 -0.57 0.00 0.00 179.45 178.73 1sie h ASP 205 N 0.31 0.04 0.00 0.86 5.19 -1.81 0.87 116.42 121.88 1sie h ASP 205 Ca 0.39 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1sie h ASP 205 Cb 0.62 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.21 1sie h ASP 205 CO -0.45 0.06 0.17 1.67 -3.12 0.00 0.00 179.24 177.56 1sie n GLN 206 N -5.08 0.00 0.00 3.56 7.27 0.11 -3.13 117.38 120.10 1sie n GLN 206 Ca 0.03 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.32 1sie n GLN 206 Cb 0.18 -1.67 0.00 0.00 2.41 0.00 0.00 30.24 31.17 1sie n GLN 206 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1sie n VAL 207 N -1.17 0.00 -2.75 1.69 0.24 0.74 -4.44 118.33 112.64 1sie n VAL 207 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1sie n VAL 207 Cb 0.17 -0.33 0.02 0.00 -1.47 0.00 0.00 33.84 32.23 1sie n VAL 207 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1sie s LEU 208 N -4.41 -0.60 -0.55 1.34 0.20 0.27 -4.90 118.68 110.03 1sie s LEU 208 Ca 0.00 -0.60 -0.20 0.00 0.69 0.00 0.00 54.13 54.02 1sie s LEU 208 Cb 0.00 0.79 0.07 0.00 -0.43 0.00 0.00 46.19 46.62 1sie s LEU 208 CO 0.00 -0.03 0.71 0.21 -0.29 0.00 0.00 176.35 176.95 1sie s ASN 209 N 1.23 6.22 0.00 3.68 2.47 -0.97 -4.76 114.94 122.81 1sie s ASN 209 Ca 0.22 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.50 1sie s ASN 209 Cb 0.07 -2.32 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1sie s ASN 209 CO -0.10 -1.04 0.71 -2.65 -3.72 0.00 0.00 177.10 170.29 1sie n PRO 210 N 6.50 0.00 -0.07 0.43 -0.02 -1.26 0.40 135.00 140.98 1sie n PRO 210 Ca -0.06 0.25 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1sie n PRO 210 Cb 0.45 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 1sie n PRO 210 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1sie n ILE 211 N -1.21 1.36 -0.99 4.25 -0.00 -1.26 -4.69 119.36 116.82 1sie n ILE 211 Ca 0.00 0.21 -0.18 0.00 -0.00 0.00 0.00 62.75 62.78 1sie n ILE 211 Cb 0.09 -2.32 -0.07 0.00 -0.00 0.00 0.00 39.64 37.34 1sie n ILE 211 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1sie n SER 212 N -4.41 0.05 -3.86 4.38 7.64 0.16 -4.75 113.62 112.83 1sie n SER 212 Ca -0.09 -1.83 -0.16 0.00 1.01 0.00 0.00 58.87 57.80 1sie n SER 212 Cb 0.34 -0.73 -0.16 0.00 -1.01 0.00 0.00 64.21 62.66 1sie n SER 212 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sie s LYS 213 N 6.11 0.32 0.00 1.43 1.02 -1.26 -1.14 119.74 126.21 1sie s LYS 213 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1sie s LYS 213 Cb 0.03 -0.43 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1sie s LYS 213 CO 0.16 -0.06 0.00 0.00 -0.92 0.00 0.00 175.35 174.53 1sie n ALA 214 N 3.76 0.00 -2.36 5.17 0.00 -0.76 -4.99 120.51 121.33 1sie n ALA 214 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 1sie n ALA 214 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 1sie n ALA 214 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sie s LYS 215 N 1.54 1.64 -0.24 0.00 -0.14 -1.26 -3.03 119.74 118.25 1sie s LYS 215 Ca 0.00 -1.94 0.02 0.00 -1.36 0.00 0.00 55.97 52.69 1sie s LYS 215 Cb 0.00 -0.20 0.33 0.00 -1.68 0.00 0.00 37.83 36.28 1sie s LYS 215 CO 0.00 -0.44 1.51 1.28 -0.76 0.00 0.00 175.35 176.94 1sie n LEU 216 N -0.63 5.02 -0.06 3.17 4.77 -0.80 -4.60 117.00 123.87 1sie n LEU 216 Ca 0.00 -2.63 0.25 0.00 -0.03 0.00 0.00 56.01 53.60 1sie n LEU 216 Cb 0.65 -0.70 0.64 0.00 -2.33 0.00 0.00 43.42 41.68 1sie n LEU 216 CO 0.35 0.81 1.23 -2.24 -1.33 0.00 0.00 177.39 176.21 1sie h ASP 217 N 0.58 0.00 0.00 -1.43 2.03 -1.95 -3.40 116.42 112.24 1sie h ASP 217 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 1sie h ASP 217 Cb 1.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.37 1sie h ASP 217 CO 0.58 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.08 1sie n LYS 218 N -3.57 3.53 -3.59 4.15 4.01 -1.26 -5.16 118.16 116.26 1sie n LYS 218 Ca 0.15 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.87 1sie n LYS 218 Cb 1.01 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.49 1sie n LYS 218 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1sie s ASP 219 N 0.42 -0.27 -0.78 4.39 2.15 -1.26 -4.89 116.67 116.43 1sie s ASP 219 Ca 0.00 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.25 1sie s ASP 219 Cb 0.00 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 1sie s ASP 219 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1sie n GLY 220 N 0.59 -0.31 0.63 2.66 0.00 -0.60 -4.70 105.19 103.46 1sie n GLY 220 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sie n GLY 220 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sie n MET 221 N -2.56 0.00 -3.06 1.61 1.56 -1.26 -4.87 117.12 108.55 1sie n MET 221 Ca -0.10 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 56.93 1sie n MET 221 Cb 0.54 -0.60 -0.05 0.00 2.15 0.00 0.00 33.22 35.26 1sie n MET 221 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1sie s TYR 222 N -1.84 3.54 0.35 1.12 1.51 -1.26 -1.44 117.35 119.33 1sie s TYR 222 Ca 0.00 1.20 -0.12 0.00 -1.01 0.00 0.00 57.07 57.14 1sie s TYR 222 Cb 0.00 -2.81 -0.07 0.00 -0.11 0.00 0.00 41.96 38.97 1sie s TYR 222 CO 0.00 0.04 0.73 -1.25 -1.11 0.00 0.00 175.55 173.96 1sie s PRO 223 N 1.01 3.87 0.26 -1.71 0.04 -1.26 0.03 135.00 137.24 1sie s PRO 223 Ca 0.36 0.52 0.02 0.00 0.04 0.00 0.00 61.00 61.94 1sie s PRO 223 Cb -0.17 -2.44 0.34 0.00 0.04 0.00 0.00 34.50 32.27 1sie s PRO 223 CO 0.16 0.08 1.66 0.28 0.04 0.00 0.00 177.00 179.23 1sie h VAL 224 N 1.54 1.29 -0.90 -0.36 2.07 -1.29 -2.32 116.25 116.28 1sie h VAL 224 Ca -0.47 -1.44 0.26 0.00 0.82 0.00 0.00 66.70 65.86 1sie h VAL 224 Cb 1.18 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1sie h VAL 224 CO 0.65 0.45 0.77 -0.08 0.02 0.00 0.00 177.57 179.38 1sie h GLU 225 N 0.40 0.00 0.00 1.57 4.81 -1.94 -3.30 114.58 116.12 1sie h GLU 225 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1sie h GLU 225 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1sie h GLU 225 CO 0.06 0.00 -0.73 -0.89 -0.73 0.00 0.00 179.01 176.73 1sie n ILE 226 N -3.89 1.28 -2.80 2.32 5.41 -0.99 -4.73 119.36 115.96 1sie n ILE 226 Ca 0.19 0.21 -0.41 0.00 1.00 0.00 0.00 62.75 63.75 1sie n ILE 226 Cb 1.07 -2.12 -0.05 0.00 -0.71 0.00 0.00 39.64 37.84 1sie n ILE 226 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1sie s TRP 227 N -2.54 3.79 0.06 1.39 0.52 -0.91 -1.50 118.94 119.76 1sie s TRP 227 Ca -0.21 1.71 0.01 0.00 0.02 0.00 0.00 56.10 57.63 1sie s TRP 227 Cb 0.03 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1sie s TRP 227 CO 0.31 0.23 -0.06 -1.01 0.02 0.00 0.00 176.95 176.44 1sie s HIS 228 N -0.04 0.66 -0.21 -1.98 3.76 0.19 -4.62 115.29 113.06 1sie s HIS 228 Ca 0.45 -0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 1sie s HIS 228 Cb -0.23 -0.41 -0.05 0.00 1.11 0.00 0.00 32.58 33.01 1sie s HIS 228 CO 0.28 -0.18 2.04 -1.25 -0.85 0.00 0.00 174.74 174.78 1sie s PRO 229 N -2.82 3.37 -0.11 8.40 0.04 -1.26 0.80 135.00 143.42 1sie s PRO 229 Ca 0.00 1.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 1sie s PRO 229 Cb -0.01 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1sie s PRO 229 CO -0.04 -1.83 0.60 0.34 0.04 0.00 0.00 177.00 176.11 1sie s ASP 230 N 6.96 6.82 -1.21 6.66 2.15 -0.89 -4.70 116.67 132.46 1sie s ASP 230 Ca 0.92 0.98 -0.20 0.00 0.43 0.00 0.00 52.55 54.68 1sie s ASP 230 Cb -0.31 -2.35 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 1sie s ASP 230 CO 0.35 -0.09 1.70 -2.16 -0.17 0.00 0.00 175.17 174.80 1sie s PRO 231 N 0.90 3.68 0.63 4.34 0.04 -1.26 -4.68 135.00 138.65 1sie s PRO 231 Ca 0.31 -1.64 -0.19 0.00 0.04 0.00 0.00 61.00 59.52 1sie s PRO 231 Cb -0.16 -5.45 -0.02 0.00 0.04 0.00 0.00 34.50 28.91 1sie s PRO 231 CO 0.14 -2.48 1.30 0.00 0.04 0.00 0.00 177.00 176.00 1sie s ALA 232 N 5.36 2.46 0.62 8.56 0.00 -1.26 -4.77 121.76 132.73 1sie s ALA 232 Ca 0.54 1.22 0.31 0.00 0.00 0.00 0.00 51.96 54.03 1sie s ALA 232 Cb 0.02 -3.55 1.69 0.00 0.00 0.00 0.00 23.12 21.28 1sie s ALA 232 CO 0.04 -1.53 2.02 1.57 0.00 0.00 0.00 175.76 177.86 1sie h LYS 233 N 0.72 0.00 -5.97 0.00 -0.00 -2.03 -3.41 116.57 105.88 1sie h LYS 233 Ca -0.51 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 59.59 1sie h LYS 233 Cb 1.33 0.00 -0.25 0.00 -0.00 0.00 0.00 32.23 33.31 1sie h LYS 233 CO 0.54 0.00 -0.83 -0.80 -0.00 0.00 0.00 179.45 178.36 1sie s ASN 234 N -5.11 2.35 -0.26 7.07 0.02 -1.26 -5.17 114.94 112.58 1sie s ASN 234 Ca -0.04 -0.53 -0.26 0.00 -1.02 0.00 0.00 52.86 51.01 1sie s ASN 234 Cb 0.13 -0.18 0.13 0.00 0.02 0.00 0.00 41.25 41.34 1sie s ASN 234 CO 0.44 0.13 1.04 -0.70 0.02 0.00 0.00 177.10 178.03 1sie s GLU 235 N -1.27 0.50 -0.12 -0.60 2.56 -1.26 -5.02 118.70 113.50 1sie s GLU 235 Ca 0.06 0.48 0.15 0.00 0.00 0.00 0.00 54.97 55.66 1sie s GLU 235 Cb -0.09 0.24 0.28 0.00 2.00 0.00 0.00 34.13 36.57 1sie s GLU 235 CO 0.02 -0.08 1.14 -1.71 -0.56 0.00 0.00 175.26 174.07 1sie n ASN 236 N 1.87 1.74 -4.41 -1.70 5.15 -1.26 -5.00 115.26 111.64 1sie n ASN 236 Ca -0.12 -3.03 -0.22 0.00 -0.60 0.00 0.00 54.58 50.61 1sie n ASN 236 Cb 0.56 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.30 1sie n ASN 236 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1sie s THR 237 N -2.30 2.17 -0.07 -0.44 2.01 -1.26 -2.03 115.64 113.72 1sie s THR 237 Ca 0.28 -2.26 0.02 0.00 0.31 0.00 0.00 61.69 60.04 1sie s THR 237 Cb 0.26 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.63 1sie s THR 237 CO -0.01 -0.42 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.24 1sie s ARG 238 N -3.40 1.74 0.18 4.92 1.81 0.30 -4.93 118.95 119.58 1sie s ARG 238 Ca 0.25 -0.42 -0.04 0.00 -1.72 0.00 0.00 55.73 53.81 1sie s ARG 238 Cb -0.04 -1.46 -0.03 0.00 -0.45 0.00 0.00 34.95 32.97 1sie s ARG 238 CO 0.11 0.00 0.17 1.52 -0.68 0.00 0.00 175.30 176.42 1sie s TYR 239 N 0.76 0.84 0.00 -0.53 -0.85 -1.26 -0.58 117.35 115.73 1sie s TYR 239 Ca -0.13 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.27 1sie s TYR 239 Cb -0.16 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.82 1sie s TYR 239 CO 0.03 -0.65 0.00 1.97 -1.52 0.00 0.00 175.55 175.37 1sie n PHE 240 N -0.22 0.00 -3.60 -3.49 1.16 0.14 -4.96 117.46 106.50 1sie n PHE 240 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1sie n PHE 240 Cb 0.64 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.51 1sie n PHE 240 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sie n GLY 241 N -0.22 -1.14 3.46 4.97 0.00 -1.26 0.11 105.19 111.12 1sie n GLY 241 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 1sie n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sie s ASN 242 N -4.00 -0.54 0.09 1.61 2.20 0.56 -4.93 114.94 109.92 1sie s ASN 242 Ca 0.00 0.15 0.03 0.00 -0.94 0.00 0.00 52.86 52.10 1sie s ASN 242 Cb 0.00 0.54 -0.04 0.00 -2.00 0.00 0.00 41.25 39.75 1sie s ASN 242 CO 0.00 -0.82 0.11 -0.47 -2.94 0.00 0.00 177.10 172.98 1sie s TYR 243 N -3.06 3.23 -0.38 1.54 5.04 -1.26 -2.68 117.35 119.78 1sie s TYR 243 Ca -0.01 0.09 0.04 0.00 -2.44 0.00 0.00 57.07 54.75 1sie s TYR 243 Cb -0.01 -1.62 0.16 0.00 0.35 0.00 0.00 41.96 40.84 1sie s TYR 243 CO -0.07 0.53 0.43 0.99 -1.34 0.00 0.00 175.55 176.08 1sie s THR 244 N -1.47 -0.47 0.07 4.34 2.01 -0.97 -5.02 115.64 114.13 1sie s THR 244 Ca 0.30 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1sie s THR 244 Cb -0.12 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1sie s THR 244 CO 0.23 -0.47 0.04 0.61 -0.69 0.00 0.00 174.62 174.35 1sie n GLY 245 N 4.28 -3.70 0.00 4.40 0.00 -1.26 -1.60 105.19 107.31 1sie n GLY 245 Ca 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1sie n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 246 N -0.21 2.55 0.11 -0.02 0.00 -1.26 -4.33 105.19 102.03 1sie n GLY 246 Ca 0.01 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 1sie n GLY 246 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sie n THR 247 N 1.07 1.30 -0.09 2.61 -2.24 -1.26 -0.78 114.28 114.90 1sie n THR 247 Ca 0.00 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1sie n THR 247 Cb 0.00 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.06 1sie n THR 247 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sie n THR 248 N -3.01 1.18 0.00 4.28 -2.24 -1.26 -3.40 114.28 109.84 1sie n THR 248 Ca -0.37 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1sie n THR 248 Cb 0.99 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1sie n THR 248 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1sie n THR 249 N -2.76 0.00 -3.10 4.28 -1.04 -1.26 -3.86 114.28 106.53 1sie n THR 249 Ca -0.30 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.34 1sie n THR 249 Cb 1.01 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.46 1sie n THR 249 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1sie s PRO 250 N 0.00 4.28 0.48 -2.82 0.02 -1.26 -1.08 135.00 134.62 1sie s PRO 250 Ca 0.00 0.89 -0.21 0.00 0.02 0.00 0.00 61.00 61.70 1sie s PRO 250 Cb 0.00 -2.96 -0.08 0.00 0.02 0.00 0.00 34.50 31.48 1sie s PRO 250 CO 0.00 0.44 1.07 -2.14 -0.33 0.00 0.00 177.00 176.04 1sie s PRO 251 N -1.80 3.75 -0.09 5.54 0.02 -1.26 -4.99 135.00 136.17 1sie s PRO 251 Ca 0.41 1.48 -0.09 0.00 0.02 0.00 0.00 61.00 62.82 1sie s PRO 251 Cb -0.18 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.19 1sie s PRO 251 CO 0.21 -0.49 0.25 0.14 -0.33 0.00 0.00 177.00 176.79 1sie s VAL 252 N -1.84 0.00 0.21 3.83 -7.23 -1.26 -5.16 120.40 108.96 1sie s VAL 252 Ca 0.67 -0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.77 1sie s VAL 252 Cb -0.20 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1sie s VAL 252 CO 0.24 -0.01 0.26 -0.76 -0.31 0.00 0.00 175.10 174.53 1sie s LEU 253 N 0.10 0.87 -0.30 1.32 1.43 -1.26 -5.14 118.68 115.69 1sie s LEU 253 Ca -0.00 -1.18 0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1sie s LEU 253 Cb -0.02 0.92 0.09 0.00 0.03 0.00 0.00 46.19 47.21 1sie s LEU 253 CO 0.00 -0.95 0.03 -1.10 0.23 0.00 0.00 176.35 174.56 1sie s GLN 254 N -4.09 1.36 -0.71 1.70 -1.52 -1.26 -5.08 119.66 110.06 1sie s GLN 254 Ca 0.31 -1.41 -0.24 0.00 -1.95 0.00 0.00 55.36 52.07 1sie s GLN 254 Cb 0.04 -2.71 0.06 0.00 -0.22 0.00 0.00 33.01 30.18 1sie s GLN 254 CO 0.10 -0.84 1.07 -0.06 -0.25 0.00 0.00 175.29 175.31 1sie s PHE 255 N 1.23 2.59 -0.29 0.91 0.08 -1.26 -4.75 117.98 116.48 1sie s PHE 255 Ca 0.05 -0.47 -0.15 0.00 0.12 0.00 0.00 56.93 56.48 1sie s PHE 255 Cb -0.19 -4.40 0.13 0.00 -0.57 0.00 0.00 43.02 37.99 1sie s PHE 255 CO -0.12 -1.77 0.83 -0.08 -0.10 0.00 0.00 175.22 173.98 1sie s THR 256 N 4.47 -0.27 -0.60 0.64 -1.32 -1.26 -4.95 115.64 112.36 1sie s THR 256 Ca 0.27 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.82 1sie s THR 256 Cb -0.13 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.27 1sie s THR 256 CO 0.10 0.00 1.15 -0.46 -2.21 0.00 0.00 174.62 173.19 1sie n ASN 257 N 4.43 3.40 -0.08 8.08 2.04 -1.26 -4.07 115.26 127.80 1sie n ASN 257 Ca -0.16 -2.49 -0.08 0.00 -0.44 0.00 0.00 54.58 51.41 1sie n ASN 257 Cb 0.56 -0.60 -0.13 0.00 -2.53 0.00 0.00 39.78 37.08 1sie n ASN 257 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 1sie n THR 258 N 0.28 1.15 -3.78 5.53 -1.04 -1.26 -5.01 114.28 110.15 1sie n THR 258 Ca 0.15 -0.70 -0.35 0.00 -2.04 0.00 0.00 64.05 61.11 1sie n THR 258 Cb 0.75 -0.58 -0.08 0.00 -1.82 0.00 0.00 70.33 68.59 1sie n THR 258 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sie s LEU 259 N -5.27 4.19 0.12 -4.42 2.01 -1.26 -5.09 118.68 108.96 1sie s LEU 259 Ca -0.09 0.24 0.08 0.00 0.01 0.00 0.00 54.13 54.36 1sie s LEU 259 Cb 0.05 -2.07 -0.04 0.00 0.01 0.00 0.00 46.19 44.14 1sie s LEU 259 CO 0.68 0.20 -0.11 -0.89 1.01 0.00 0.00 176.35 177.24 1sie s THR 260 N 0.21 3.29 0.08 5.49 2.01 -1.26 -4.41 115.64 121.04 1sie s THR 260 Ca 0.08 -1.35 0.08 0.00 0.31 0.00 0.00 61.69 60.82 1sie s THR 260 Cb -0.11 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1sie s THR 260 CO -0.01 0.08 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.88 1sie s THR 261 N -1.27 1.83 -0.57 -0.82 2.01 -0.19 -4.91 115.64 111.73 1sie s THR 261 Ca 0.21 -1.44 -0.19 0.00 0.31 0.00 0.00 61.69 60.59 1sie s THR 261 Cb -0.11 -1.62 0.09 0.00 0.01 0.00 0.00 72.50 70.87 1sie s THR 261 CO 0.14 0.11 0.68 -0.69 -0.69 0.00 0.00 174.62 174.16 1sie s VAL 262 N -0.97 4.84 -1.57 3.82 1.01 -1.26 0.51 120.40 126.77 1sie s VAL 262 Ca 0.09 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.29 1sie s VAL 262 Cb -0.10 -4.44 0.22 0.00 0.00 0.00 0.00 36.38 32.07 1sie s VAL 262 CO 0.03 -1.04 1.21 0.18 0.00 0.00 0.00 175.10 175.49 1sie n LEU 263 N 6.26 0.00 -4.77 3.92 4.77 0.33 -4.71 117.00 122.80 1sie n LEU 263 Ca -0.09 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.71 1sie n LEU 263 Cb 0.43 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1sie n LEU 263 CO 0.57 -0.14 1.01 -0.22 -1.33 0.00 0.00 177.39 177.29 1sie s LEU 264 N -2.43 4.12 0.00 2.23 2.96 -0.71 -3.66 118.68 121.19 1sie s LEU 264 Ca 0.12 2.79 -0.01 0.00 -0.22 0.00 0.00 54.13 56.81 1sie s LEU 264 Cb 0.07 -3.97 0.13 0.00 0.50 0.00 0.00 46.19 42.92 1sie s LEU 264 CO 0.16 -1.09 0.85 -0.90 -1.32 0.00 0.00 176.35 174.05 1sie n ASP 265 N -0.17 1.09 0.28 3.68 5.75 -1.26 -4.52 116.55 121.39 1sie n ASP 265 Ca 0.05 -1.93 0.17 0.00 -0.01 0.00 0.00 54.79 53.07 1sie n ASP 265 Cb 0.43 -0.56 0.68 0.00 -1.03 0.00 0.00 41.12 40.64 1sie n ASP 265 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sie h GLU 266 N 0.00 0.00 -0.50 0.11 5.08 -1.97 -2.09 114.58 115.21 1sie h GLU 266 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1sie h GLU 266 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sie h GLU 266 CO 0.30 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.40 1sie n ASN 267 N -3.08 3.40 -0.87 1.42 3.02 -1.26 -4.90 115.26 112.99 1sie n ASN 267 Ca 0.01 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1sie n ASN 267 Cb 0.30 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1sie n ASN 267 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sie n GLY 268 N 1.17 0.50 0.37 7.41 0.00 -0.79 -5.03 105.19 108.83 1sie n GLY 268 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1sie n GLY 268 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sie n VAL 269 N -0.87 0.00 -1.40 1.61 0.31 -1.23 -4.84 118.33 111.92 1sie n VAL 269 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1sie n VAL 269 Cb 0.41 -0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 1sie n VAL 269 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sie n GLY 270 N 2.98 -1.94 3.93 2.92 0.00 -1.24 -4.58 105.19 107.26 1sie n GLY 270 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 1sie n GLY 270 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sie s PRO 271 N -1.65 1.84 -0.07 1.61 0.02 -1.11 -4.65 135.00 131.00 1sie s PRO 271 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 61.00 60.70 1sie s PRO 271 Cb 0.00 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.47 1sie s PRO 271 CO 0.00 -1.53 0.15 -0.51 -0.33 0.00 0.00 177.00 174.78 1sie s LEU 272 N -5.41 0.62 -0.80 -5.54 1.02 -1.26 -0.76 118.68 106.55 1sie s LEU 272 Ca 0.63 0.30 -0.24 0.00 0.02 0.00 0.00 54.13 54.85 1sie s LEU 272 Cb -0.09 0.34 0.06 0.00 0.02 0.00 0.00 46.19 46.52 1sie s LEU 272 CO 0.47 -0.16 1.19 0.00 0.02 0.00 0.00 176.35 177.87 1sie s LYS 274 N 4.61 4.40 0.00 0.00 -2.85 -1.10 -3.91 119.74 120.90 1sie s LYS 274 Ca 0.33 1.41 0.00 0.00 -1.00 0.00 0.00 55.97 56.71 1sie s LYS 274 Cb -0.09 -3.55 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 1sie s LYS 274 CO 0.05 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.56 1sie n GLY 275 N 3.14 -1.80 0.87 0.59 0.00 -1.26 -4.39 105.19 102.33 1sie n GLY 275 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1sie n GLY 275 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sie n GLU 276 N 0.98 0.02 -3.73 1.61 -0.58 -1.25 -4.67 120.64 113.03 1sie n GLU 276 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1sie n GLU 276 Cb 0.00 -1.37 -0.07 0.00 -0.57 0.00 0.00 31.44 29.44 1sie n GLU 276 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1sie s GLY 277 N 0.50 2.19 -0.11 0.62 0.00 -1.25 0.75 107.32 110.01 1sie s GLY 277 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.11 1sie s GLY 277 CO 0.00 -0.03 0.09 -2.27 0.00 0.00 0.00 173.10 170.89 1sie s LEU 278 N -0.43 4.08 -0.20 0.66 0.20 -0.24 -4.32 118.68 118.43 1sie s LEU 278 Ca 0.15 0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.32 1sie s LEU 278 Cb -0.13 -1.97 0.04 0.00 -0.43 0.00 0.00 46.19 43.70 1sie s LEU 278 CO 0.04 0.40 -0.12 -0.31 -0.29 0.00 0.00 176.35 176.06 1sie s TYR 279 N -0.96 2.54 0.03 5.38 1.51 0.16 0.37 117.35 126.37 1sie s TYR 279 Ca 0.14 -1.64 -0.01 0.00 -1.01 0.00 0.00 57.07 54.55 1sie s TYR 279 Cb -0.12 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1sie s TYR 279 CO 0.03 -0.76 0.17 -0.51 -1.11 0.00 0.00 175.55 173.37 1sie s LEU 280 N 1.36 4.26 -0.27 -1.29 1.43 -0.14 -1.37 118.68 122.66 1sie s LEU 280 Ca -0.01 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 1sie s LEU 280 Cb -0.16 -2.70 0.07 0.00 0.03 0.00 0.00 46.19 43.44 1sie s LEU 280 CO -0.09 0.22 0.70 -0.44 0.23 0.00 0.00 176.35 176.97 1sie s SER 281 N -2.18 -0.84 0.23 2.29 0.01 -0.77 -1.50 113.70 110.93 1sie s SER 281 Ca 0.30 1.47 -0.21 0.00 1.31 0.00 0.00 55.95 58.83 1sie s SER 281 Cb -0.13 1.42 0.07 0.00 0.21 0.00 0.00 66.02 67.59 1sie s SER 281 CO 0.22 -0.24 0.99 0.00 0.41 0.00 0.00 173.24 174.61 1sie s VAL 283 N -2.20 0.00 -0.41 0.00 -7.23 0.12 -2.50 120.40 108.18 1sie s VAL 283 Ca 0.20 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.41 1sie s VAL 283 Cb -0.03 -1.00 0.17 0.00 0.56 0.00 0.00 36.38 36.07 1sie s VAL 283 CO 0.07 0.00 0.37 -1.81 -0.31 0.00 0.00 175.10 173.42 1sie s ASP 284 N 1.20 1.27 -0.02 4.85 1.01 -1.24 -1.75 116.67 121.99 1sie s ASP 284 Ca -0.07 -2.61 -0.21 0.00 0.71 0.00 0.00 52.55 50.37 1sie s ASP 284 Cb -0.05 -0.04 -0.05 0.00 1.01 0.00 0.00 42.92 43.80 1sie s ASP 284 CO -0.13 -0.19 0.62 -0.63 0.21 0.00 0.00 175.17 175.06 1sie s ILE 285 N 0.46 4.95 -0.15 0.77 1.09 0.23 -2.19 121.20 126.37 1sie s ILE 285 Ca 0.29 1.30 0.22 0.00 -1.10 0.00 0.00 60.65 61.35 1sie s ILE 285 Cb -0.03 -3.96 -0.32 0.00 -1.06 0.00 0.00 42.46 37.09 1sie s ILE 285 CO -0.13 0.37 0.53 0.23 -0.10 0.00 0.00 174.94 175.83 1sie n MET 286 N 3.05 0.58 0.00 2.79 2.81 0.71 -1.49 117.12 125.58 1sie n MET 286 Ca -0.05 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.66 1sie n MET 286 Cb 0.51 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1sie n MET 286 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sie n GLY 287 N 1.30 0.58 3.88 3.03 0.00 -1.09 -4.55 105.19 108.35 1sie n GLY 287 Ca -0.03 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 1sie n GLY 287 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1sie s TRP 288 N -0.89 3.56 0.22 1.61 -2.14 0.19 0.24 118.94 121.73 1sie s TRP 288 Ca 0.00 0.62 -0.03 0.00 2.66 0.00 0.00 56.10 59.35 1sie s TRP 288 Cb 0.00 -2.03 -0.05 0.00 -3.10 0.00 0.00 33.47 28.29 1sie s TRP 288 CO 0.00 0.56 0.45 0.50 -2.66 0.00 0.00 176.95 175.80 1sie s ARG 289 N -1.98 3.58 -0.18 3.25 3.52 -0.66 -2.21 118.95 124.27 1sie s ARG 289 Ca 0.31 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 1sie s ARG 289 Cb -0.13 -2.77 0.06 0.00 -1.56 0.00 0.00 34.95 30.55 1sie s ARG 289 CO 0.19 0.34 0.03 0.08 -0.81 0.00 0.00 175.30 175.13 1sie s VAL 290 N -1.91 0.55 0.19 7.11 1.01 -1.26 -2.56 120.40 123.53 1sie s VAL 290 Ca 0.41 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.54 1sie s VAL 290 Cb -0.11 -1.02 -0.14 0.00 0.00 0.00 0.00 36.38 35.11 1sie s VAL 290 CO 0.28 -0.16 1.38 0.35 0.00 0.00 0.00 175.10 176.96 1sie n THR 291 N 5.04 0.66 0.07 3.92 -2.24 -0.75 -0.12 114.28 120.87 1sie n THR 291 Ca -0.09 -0.16 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1sie n THR 291 Cb 0.47 -1.29 0.44 0.00 -2.10 0.00 0.00 70.33 67.85 1sie n THR 291 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1sie h ARG 292 N 4.41 0.37 -0.01 -0.78 1.12 -1.59 -2.90 114.38 115.01 1sie h ARG 292 Ca -0.45 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1sie h ARG 292 Cb 1.29 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 31.18 1sie h ARG 292 CO 0.77 0.32 -0.01 -1.71 -3.11 0.00 0.00 179.97 176.24 1sie n ASN 293 N -4.42 -0.01 -0.36 -3.80 2.85 -1.26 -4.71 115.26 103.54 1sie n ASN 293 Ca 0.01 0.96 0.00 0.00 -0.11 0.00 0.00 54.58 55.44 1sie n ASN 293 Cb 0.13 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 40.68 1sie n ASN 293 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sie n TYR 294 N -2.97 -0.18 -1.53 1.20 9.36 -1.09 -5.01 117.16 116.94 1sie n TYR 294 Ca 0.00 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.94 1sie n TYR 294 Cb 0.00 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.66 1sie n TYR 294 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1sie n ASP 295 N -0.74 6.60 -4.53 2.98 9.92 -1.26 -4.03 116.55 125.49 1sie n ASP 295 Ca 0.00 -3.17 -0.41 0.00 -0.53 0.00 0.00 54.79 50.67 1sie n ASP 295 Cb 0.00 -1.25 -0.03 0.00 -0.64 0.00 0.00 41.12 39.19 1sie n ASP 295 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sie s VAL 296 N -2.01 3.87 -0.29 2.53 1.01 -1.26 -4.88 120.40 119.37 1sie s VAL 296 Ca 0.59 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1sie s VAL 296 Cb 0.36 -4.87 0.18 0.00 0.00 0.00 0.00 36.38 32.05 1sie s VAL 296 CO -0.20 -1.77 2.07 1.57 0.00 0.00 0.00 175.10 176.76 1sie n HIS 297 N 8.97 1.40 -2.17 5.22 -0.00 -1.26 -1.81 115.22 125.57 1sie n HIS 297 Ca 0.03 -1.88 -0.42 0.00 0.46 0.00 0.00 57.72 55.90 1sie n HIS 297 Cb 0.48 -0.94 -0.03 0.00 -0.12 0.00 0.00 29.99 29.38 1sie n HIS 297 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1sie s HIS 298 N -1.64 2.96 0.51 1.57 -3.43 -1.06 -4.40 115.29 109.81 1sie s HIS 298 Ca 0.30 0.82 -0.18 0.00 -0.80 0.00 0.00 55.06 55.20 1sie s HIS 298 Cb 0.23 -3.70 -0.08 0.00 -1.43 0.00 0.00 32.58 27.60 1sie s HIS 298 CO -0.01 -2.57 1.00 1.67 -2.00 0.00 0.00 174.74 172.83 1sie s TRP 299 N 1.90 3.28 0.14 0.38 -0.00 -1.26 -1.66 118.94 121.72 1sie s TRP 299 Ca 0.65 1.52 0.10 0.00 -0.00 0.00 0.00 56.10 58.36 1sie s TRP 299 Cb -0.34 -2.88 -0.04 0.00 -0.00 0.00 0.00 33.47 30.21 1sie s TRP 299 CO 0.29 -0.52 -0.19 0.50 -0.00 0.00 0.00 176.95 177.03 1sie s ARG 300 N -3.81 1.74 0.24 3.25 3.52 0.14 -0.29 118.95 123.75 1sie s ARG 300 Ca 0.61 -1.27 0.02 0.00 -0.13 0.00 0.00 55.73 54.96 1sie s ARG 300 Cb -0.12 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 31.17 1sie s ARG 300 CO 0.28 0.46 0.05 0.20 -0.81 0.00 0.00 175.30 175.47 1sie s GLY 301 N -2.34 1.64 0.18 8.12 0.00 -1.26 -0.21 107.32 113.46 1sie s GLY 301 Ca 0.19 -1.81 0.06 0.00 0.00 0.00 0.00 44.72 43.15 1sie s GLY 301 CO 0.10 -1.62 -0.11 1.08 0.00 0.00 0.00 173.10 172.55 1sie s LEU 302 N -3.30 2.51 0.40 0.66 1.43 -0.93 -4.93 118.68 114.52 1sie s LEU 302 Ca 0.33 -1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 1sie s LEU 302 Cb 0.07 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.73 1sie s LEU 302 CO 0.11 -0.28 0.80 -2.16 0.23 0.00 0.00 176.35 175.04 1sie s PRO 303 N -3.71 3.88 0.02 1.29 0.04 -1.26 -4.11 135.00 131.15 1sie s PRO 303 Ca 0.20 0.62 0.09 0.00 0.04 0.00 0.00 61.00 61.95 1sie s PRO 303 Cb 0.02 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1sie s PRO 303 CO 0.04 -0.02 -0.26 0.50 0.04 0.00 0.00 177.00 177.30 1sie s ARG 304 N -3.62 1.89 0.18 4.56 3.52 -0.45 -0.91 118.95 124.13 1sie s ARG 304 Ca 0.54 -1.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 1sie s ARG 304 Cb -0.10 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 1sie s ARG 304 CO 0.27 0.52 0.30 -0.47 -0.81 0.00 0.00 175.30 175.12 1sie s TYR 305 N -0.74 3.46 -0.07 5.12 6.14 0.22 -0.84 117.35 130.64 1sie s TYR 305 Ca 0.11 0.06 -0.05 0.00 0.64 0.00 0.00 57.07 57.83 1sie s TYR 305 Cb -0.10 -1.63 0.02 0.00 0.42 0.00 0.00 41.96 40.68 1sie s TYR 305 CO 0.01 0.49 0.18 -0.06 0.64 0.00 0.00 175.55 176.81 1sie s PHE 306 N -1.83 -0.20 -0.38 4.97 0.40 0.21 -2.28 117.98 118.86 1sie s PHE 306 Ca 0.34 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 57.19 1sie s PHE 306 Cb -0.10 0.04 0.13 0.00 0.51 0.00 0.00 43.02 43.59 1sie s PHE 306 CO 0.28 -0.12 0.19 0.21 0.70 0.00 0.00 175.22 176.49 1sie s LYS 307 N 0.43 0.93 -0.11 0.44 2.20 0.57 -0.85 119.74 123.35 1sie s LYS 307 Ca -0.03 -1.57 -0.15 0.00 -0.36 0.00 0.00 55.97 53.86 1sie s LYS 307 Cb -0.04 -1.96 -0.05 0.00 -1.51 0.00 0.00 37.83 34.28 1sie s LYS 307 CO -0.02 -1.13 0.38 0.42 -0.36 0.00 0.00 175.35 174.64 1sie s ILE 308 N 0.89 5.21 -0.27 5.43 1.09 -0.33 -1.68 121.20 131.54 1sie s ILE 308 Ca 0.16 0.75 -0.03 0.00 -1.10 0.00 0.00 60.65 60.43 1sie s ILE 308 Cb -0.22 -3.71 0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1sie s ILE 308 CO -0.07 0.41 -0.02 0.42 -0.10 0.00 0.00 174.94 175.59 1sie s THR 309 N 0.17 3.14 0.06 2.92 -4.23 -0.82 -1.03 115.64 115.85 1sie s THR 309 Ca 0.21 -1.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 1sie s THR 309 Cb -0.14 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1sie s THR 309 CO 0.08 0.10 -0.12 -1.48 -0.54 0.00 0.00 174.62 172.66 1sie s LEU 310 N 1.35 2.25 0.00 4.79 0.05 -1.05 -0.50 118.68 125.57 1sie s LEU 310 Ca -0.01 -0.56 0.00 0.00 0.05 0.00 0.00 54.13 53.62 1sie s LEU 310 Cb -0.17 -0.42 0.00 0.00 -2.05 0.00 0.00 46.19 43.55 1sie s LEU 310 CO -0.02 -0.09 0.03 -2.11 -0.55 0.00 0.00 176.35 173.60 1sie n ARG 311 N 1.47 1.05 -3.59 1.48 1.85 0.78 -2.85 116.66 116.85 1sie n ARG 311 Ca -0.21 -2.81 -0.39 0.00 -1.00 0.00 0.00 57.85 53.44 1sie n ARG 311 Cb 0.54 0.71 -0.11 0.00 -1.05 0.00 0.00 32.46 32.56 1sie n ARG 311 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1sie s LYS 312 N -3.43 3.46 -0.07 2.89 1.02 -1.26 -0.68 119.74 121.68 1sie s LYS 312 Ca 0.02 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.41 1sie s LYS 312 Cb -0.00 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1sie s LYS 312 CO 0.01 -0.41 -0.24 0.50 -0.92 0.00 0.00 175.35 174.29 1sie s ARG 313 N 1.68 2.71 0.05 1.68 3.52 -0.47 -4.90 118.95 123.21 1sie s ARG 313 Ca 0.06 -0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 1sie s ARG 313 Cb -0.17 -2.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 1sie s ARG 313 CO 0.09 0.33 1.11 -1.58 -0.81 0.00 0.00 175.30 174.44 1sie s TRP 314 N -0.04 3.54 0.00 5.12 0.23 -1.26 -0.04 118.94 126.49 1sie s TRP 314 Ca -0.07 1.47 -0.01 0.00 -2.03 0.00 0.00 56.10 55.46 1sie s TRP 314 Cb -0.15 -3.30 -0.01 0.00 0.03 0.00 0.00 33.47 30.05 1sie s TRP 314 CO 0.05 -0.75 0.01 0.14 0.96 0.00 0.00 176.95 177.36 1sie s VAL 315 N 0.93 0.04 0.15 4.03 -7.23 0.24 -4.96 120.40 113.62 1sie s VAL 315 Ca 0.55 -0.35 -0.31 0.00 -1.81 0.00 0.00 61.98 60.06 1sie s VAL 315 Cb -0.26 -0.14 -0.10 0.00 0.56 0.00 0.00 36.38 36.44 1sie s VAL 315 CO 0.29 -0.19 1.65 -0.75 -0.31 0.00 0.00 175.10 175.79 1sie s LYS 316 N -0.57 4.18 0.30 4.82 2.36 -1.26 -1.48 119.74 128.09 1sie s LYS 316 Ca -0.06 2.44 -0.29 0.00 -2.55 0.00 0.00 55.97 55.51 1sie s LYS 316 Cb -0.04 -3.26 -0.11 0.00 -1.05 0.00 0.00 37.83 33.38 1sie s LYS 316 CO -0.00 -0.69 1.48 1.21 1.55 0.00 0.00 175.35 178.90 1sie s ASN 317 N 1.54 6.50 0.00 1.43 2.47 -0.55 -4.85 114.94 121.48 1sie s ASN 317 Ca 0.73 2.85 0.00 0.00 0.42 0.00 0.00 52.86 56.86 1sie s ASN 317 Cb -0.45 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 36.71 1sie s ASN 317 CO 0.32 -0.79 0.40 -0.81 -3.72 0.00 0.00 177.10 172.50 1sie n PRO 318 N 1.63 0.00 -3.12 0.43 -0.04 -1.26 -4.79 135.00 127.86 1sie n PRO 318 Ca 0.05 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 1sie n PRO 318 Cb 0.39 -0.92 -0.05 0.00 -0.04 0.00 0.00 33.50 32.87 1sie n PRO 318 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sie s TYR 319 N -0.96 3.44 -0.25 0.54 2.02 -1.26 -5.00 117.35 115.88 1sie s TYR 319 Ca 0.00 1.01 -0.39 0.00 -0.37 0.00 0.00 57.07 57.33 1sie s TYR 319 Cb 0.00 -2.78 -0.14 0.00 -0.40 0.00 0.00 41.96 38.64 1sie s TYR 319 CO 0.00 -0.07 1.82 -2.30 -1.57 0.00 0.00 175.55 173.43 1sie n PRO 320 N 4.60 1.36 0.00 -1.71 -0.02 -1.26 -4.89 135.00 133.08 1sie n PRO 320 Ca -0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1sie n PRO 320 Cb 0.50 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1sie n PRO 320 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1sie n MET 321 N 5.95 0.00 -0.25 -0.52 2.81 -1.26 -0.63 117.12 123.22 1sie n MET 321 Ca 0.27 0.78 -0.00 0.00 -1.81 0.00 0.00 57.70 56.94 1sie n MET 321 Cb 0.17 -1.18 0.03 0.00 -0.71 0.00 0.00 33.22 31.54 1sie n MET 321 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sie n ALA 322 N -2.72 -0.05 -0.03 3.04 0.00 -1.26 0.11 120.51 119.60 1sie n ALA 322 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 1sie n ALA 322 Cb 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1sie n ALA 322 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sie h SER 323 N 0.00 -1.51 0.35 0.00 0.87 -1.25 0.53 113.55 112.54 1sie h SER 323 Ca 0.24 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 1sie h SER 323 Cb 0.40 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1sie h SER 323 CO -0.65 -0.44 -0.17 -0.07 -0.53 0.00 0.00 176.83 174.96 1sie h LEU 324 N -0.50 -0.41 -0.12 2.23 -0.00 0.85 3.39 115.31 120.75 1sie h LEU 324 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1sie h LEU 324 Cb 0.64 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.39 1sie h LEU 324 CO -0.44 -0.29 -0.14 0.40 -0.00 0.00 0.00 178.44 177.96 1sie h ILE 325 N -0.48 0.00 0.00 1.22 1.08 -0.26 0.12 117.51 119.18 1sie h ILE 325 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1sie h ILE 325 Cb 0.37 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1sie h ILE 325 CO 0.08 0.00 0.00 -1.20 -0.69 0.00 0.00 178.15 176.34 1sie n SER 326 N -3.39 0.08 0.09 1.72 7.64 0.18 -1.26 113.62 118.67 1sie n SER 326 Ca -0.01 0.51 -0.11 0.00 1.01 0.00 0.00 58.87 60.28 1sie n SER 326 Cb 0.08 -0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 62.68 1sie n SER 326 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1sie h SER 327 N 0.00 0.29 0.00 6.43 4.64 0.72 -2.98 113.55 122.66 1sie h SER 327 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1sie h SER 327 Cb 0.36 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1sie h SER 327 CO 0.00 1.13 0.00 0.18 -0.87 0.00 0.00 176.83 177.27 1sie n LEU 328 N -3.58 1.34 0.15 5.97 7.99 0.33 -3.10 117.00 126.09 1sie n LEU 328 Ca -0.05 0.31 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 1sie n LEU 328 Cb 0.89 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 44.13 1sie n LEU 328 CO 0.50 -0.07 0.59 0.49 -1.51 0.00 0.00 177.39 177.39 1sie n PHE 329 N -0.71 0.00 -0.08 -1.77 3.72 -0.39 0.19 117.46 118.42 1sie n PHE 329 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1sie n PHE 329 Cb 0.00 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 1sie n PHE 329 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1sie n ASN 330 N -1.50 0.65 0.00 4.37 4.13 -1.12 -4.16 115.26 117.62 1sie n ASN 330 Ca 0.00 0.10 0.06 0.00 1.68 0.00 0.00 54.58 56.43 1sie n ASN 330 Cb 0.59 0.39 0.38 0.00 -1.54 0.00 0.00 39.78 39.60 1sie n ASN 330 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1sie n ASN 331 N -2.95 0.00 -0.01 6.41 3.02 0.50 -2.27 115.26 119.96 1sie n ASN 331 Ca -0.31 -0.70 0.04 0.00 -0.03 0.00 0.00 54.58 53.59 1sie n ASN 331 Cb 1.10 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 40.14 1sie n ASN 331 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1sie n MET 332 N -0.86 0.65 -1.07 3.52 2.81 -1.24 -4.97 117.12 115.96 1sie n MET 332 Ca 0.09 -0.02 -0.34 0.00 -1.81 0.00 0.00 57.70 55.63 1sie n MET 332 Cb 0.04 -1.63 0.12 0.00 -0.71 0.00 0.00 33.22 31.05 1sie n MET 332 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1sie n LEU 333 N -2.57 3.42 -4.66 4.03 7.99 -0.96 -4.91 117.00 119.34 1sie n LEU 333 Ca -0.11 0.55 -0.33 0.00 -0.01 0.00 0.00 56.01 56.11 1sie n LEU 333 Cb 0.76 -1.44 0.14 0.00 -0.11 0.00 0.00 43.42 42.77 1sie n LEU 333 CO 0.44 -2.11 0.65 -2.65 -1.51 0.00 0.00 177.39 172.21 1sie n PRO 334 N -2.83 -0.03 -3.33 3.23 -0.02 -1.26 -4.91 135.00 125.84 1sie n PRO 334 Ca 0.12 0.07 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 1sie n PRO 334 Cb 0.51 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1sie n PRO 334 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sie s GLN 335 N -4.16 4.24 -0.05 -0.52 -1.52 -1.26 -5.01 119.66 111.38 1sie s GLN 335 Ca 0.70 0.51 -0.02 0.00 -1.95 0.00 0.00 55.36 54.60 1sie s GLN 335 Cb -0.27 -3.36 0.03 0.00 -0.22 0.00 0.00 33.01 29.19 1sie s GLN 335 CO 0.54 0.33 0.08 0.14 -0.25 0.00 0.00 175.29 176.14 1sie s VAL 336 N 0.03 -0.14 -0.06 1.09 -7.23 -1.26 -4.98 120.40 107.86 1sie s VAL 336 Ca 0.27 0.39 -0.02 0.00 -1.81 0.00 0.00 61.98 60.81 1sie s VAL 336 Cb -0.16 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 1sie s VAL 336 CO 0.13 0.16 0.07 -1.58 -0.31 0.00 0.00 175.10 173.57 1sie s GLN 337 N 2.09 3.12 0.14 4.82 -0.44 -1.26 -4.89 119.66 123.24 1sie s GLN 337 Ca 0.03 -0.38 -0.25 0.00 -2.50 0.00 0.00 55.36 52.26 1sie s GLN 337 Cb -0.12 -2.91 0.07 0.00 -1.64 0.00 0.00 33.01 28.40 1sie s GLN 337 CO -0.04 0.70 0.97 0.20 0.50 0.00 0.00 175.29 177.62 1sie s GLY 338 N -1.30 -0.25 0.35 2.59 0.00 -1.26 -5.15 107.32 102.30 1sie s GLY 338 Ca 0.18 0.19 -0.21 0.00 0.00 0.00 0.00 44.72 44.88 1sie s GLY 338 CO 0.08 0.02 0.14 -1.06 0.00 0.00 0.00 173.10 172.29 1sie n GLN 339 N -0.46 0.00 -1.94 2.90 6.02 -1.26 -4.87 117.38 117.76 1sie n GLN 339 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.50 1sie n GLN 339 Cb 0.61 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 30.89 1sie n GLN 339 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sie s PRO 340 N -0.95 3.26 -0.32 -1.09 0.04 -1.26 -4.94 135.00 129.75 1sie s PRO 340 Ca 0.57 1.48 0.07 0.00 0.04 0.00 0.00 61.00 63.15 1sie s PRO 340 Cb -0.65 -4.23 0.46 0.00 0.04 0.00 0.00 34.50 30.11 1sie s PRO 340 CO 0.59 -1.94 1.27 -1.33 0.04 0.00 0.00 177.00 175.62 1sie n MET 341 N 8.51 3.39 0.00 4.56 2.81 -1.26 -1.43 117.12 133.70 1sie n MET 341 Ca 0.24 -4.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.10 1sie n MET 341 Cb 0.47 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.74 1sie n MET 341 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1sie n GLU 342 N -0.76 -2.44 0.00 0.03 0.00 -1.26 -4.91 120.64 111.30 1sie n GLU 342 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.60 1sie n GLU 342 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.37 1sie n GLU 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sie n GLY 343 N -0.25 -0.05 0.26 8.31 0.00 -1.26 -3.82 105.19 108.38 1sie n GLY 343 Ca 0.00 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.36 1sie n GLY 343 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sie n GLU 344 N 0.00 0.63 -2.53 1.61 2.13 -1.26 -4.39 120.64 116.83 1sie n GLU 344 Ca 0.00 -0.52 -0.13 0.00 0.66 0.00 0.00 57.16 57.17 1sie n GLU 344 Cb 0.00 -1.49 0.03 0.00 0.27 0.00 0.00 31.44 30.25 1sie n GLU 344 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1sie n ASN 345 N -0.73 2.95 -4.72 4.31 4.13 -1.26 -5.07 115.26 114.87 1sie n ASN 345 Ca 0.07 -2.95 -0.43 0.00 1.68 0.00 0.00 54.58 52.95 1sie n ASN 345 Cb 0.40 -0.46 -0.02 0.00 -1.54 0.00 0.00 39.78 38.16 1sie n ASN 345 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1sie n THR 346 N -0.46 0.65 0.66 3.41 -1.04 -1.25 -4.78 114.28 111.48 1sie n THR 346 Ca 0.23 -0.16 0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1sie n THR 346 Cb 0.82 -1.86 0.07 0.00 -1.82 0.00 0.00 70.33 67.54 1sie n THR 346 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sie n GLN 347 N 2.73 1.68 -3.72 -2.82 6.02 -0.51 -4.63 117.38 116.12 1sie n GLN 347 Ca 0.12 -0.56 -0.38 0.00 -0.01 0.00 0.00 57.00 56.18 1sie n GLN 347 Cb 0.35 -1.63 -0.12 0.00 1.02 0.00 0.00 30.24 29.86 1sie n GLN 347 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sie s VAL 348 N -1.29 4.28 -2.29 5.09 0.11 -1.26 -4.92 120.40 120.12 1sie s VAL 348 Ca 0.10 -0.47 0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1sie s VAL 348 Cb 0.07 -3.15 0.48 0.00 -1.53 0.00 0.00 36.38 32.26 1sie s VAL 348 CO 0.03 0.14 1.45 -0.62 -3.33 0.00 0.00 175.10 172.77 1sie n GLU 349 N 4.92 2.42 -3.59 1.54 1.02 -1.26 -5.00 120.64 120.70 1sie n GLU 349 Ca -0.15 -2.17 -0.10 0.00 -0.02 0.00 0.00 57.16 54.73 1sie n GLU 349 Cb 0.49 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1sie n GLU 349 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sie s GLU 350 N -1.40 0.54 -0.29 3.49 2.56 -1.26 -5.13 118.70 117.21 1sie s GLU 350 Ca 0.40 0.19 -0.14 0.00 0.00 0.00 0.00 54.97 55.42 1sie s GLU 350 Cb 0.22 0.25 0.13 0.00 2.00 0.00 0.00 34.13 36.73 1sie s GLU 350 CO 0.30 -0.16 0.81 0.54 -0.56 0.00 0.00 175.26 176.20 1sie s VAL 351 N -0.92 -0.35 0.44 3.70 0.11 -1.26 -5.16 120.40 116.96 1sie s VAL 351 Ca -0.00 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1sie s VAL 351 Cb -0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.78 1sie s VAL 351 CO -0.00 0.00 0.01 -0.13 -3.33 0.00 0.00 175.10 171.65 1sie s ARG 352 N 2.04 2.02 -0.13 1.54 0.52 -1.26 -5.14 118.95 118.54 1sie s ARG 352 Ca -0.07 -2.19 -0.21 0.00 -0.52 0.00 0.00 55.73 52.73 1sie s ARG 352 Cb -0.07 -1.54 0.05 0.00 0.52 0.00 0.00 34.95 33.91 1sie s ARG 352 CO -0.18 -0.16 0.54 0.14 0.02 0.00 0.00 175.30 175.65 1sie s VAL 353 N -2.80 0.01 0.09 3.52 -7.23 -1.26 -5.17 120.40 107.56 1sie s VAL 353 Ca 0.26 -0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.25 1sie s VAL 353 Cb 0.07 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 1sie s VAL 353 CO 0.13 -0.05 0.18 -0.31 -0.31 0.00 0.00 175.10 174.74 1sie s TYR 354 N -0.40 0.21 0.00 2.82 1.51 -1.26 -5.03 117.35 115.20 1sie s TYR 354 Ca -0.05 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1sie s TYR 354 Cb -0.03 -0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.73 1sie s TYR 354 CO 0.04 -0.55 0.00 -3.47 -1.11 0.00 0.00 175.55 170.46 1sie n ASP 355 N -0.07 0.00 -2.31 2.29 2.03 -1.26 -5.12 116.55 112.12 1sie n ASP 355 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1sie n ASP 355 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1sie n ASP 355 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sie n GLY 356 N -0.13 -0.51 2.72 0.27 0.00 -1.26 -5.08 105.19 101.20 1sie n GLY 356 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1sie n GLY 356 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sie s THR 357 N -0.16 -0.56 0.63 2.61 -4.23 -1.26 -5.14 115.64 107.53 1sie s THR 357 Ca 0.00 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1sie s THR 357 Cb 0.00 -0.41 0.02 0.00 1.34 0.00 0.00 72.50 73.44 1sie s THR 357 CO 0.00 -0.40 0.96 -1.83 -0.54 0.00 0.00 174.62 172.81 1sie s GLU 358 N 0.86 2.78 0.65 3.99 -1.05 -1.26 -5.03 118.70 119.64 1sie s GLU 358 Ca 0.27 0.06 -0.11 0.00 -0.15 0.00 0.00 54.97 55.04 1sie s GLU 358 Cb -0.02 -2.20 -0.02 0.00 -0.44 0.00 0.00 34.13 31.45 1sie s GLU 358 CO -0.09 -0.87 1.05 -1.25 0.95 0.00 0.00 175.26 175.06 1sie s PRO 359 N -5.12 3.32 0.06 -4.83 0.04 -1.26 -4.89 135.00 122.33 1sie s PRO 359 Ca 0.56 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 1sie s PRO 359 Cb -0.11 -2.06 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 1sie s PRO 359 CO 0.46 -0.74 0.69 0.28 0.04 0.00 0.00 177.00 177.73 1sie n VAL 360 N -2.84 0.60 -0.20 -0.36 0.31 -1.26 -4.93 118.33 109.64 1sie n VAL 360 Ca 0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1sie n VAL 360 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1sie n VAL 360 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1sie n PRO 361 N 1.05 2.62 0.00 5.55 -0.04 -1.26 -5.08 135.00 137.84 1sie n PRO 361 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1sie n PRO 361 Cb 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 1sie n PRO 361 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sie n GLY 362 N 5.00 0.82 3.63 0.55 0.00 -1.26 -4.94 105.19 108.99 1sie n GLY 362 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.41 1sie n GLY 362 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sie n ASP 363 N 0.00 1.76 0.11 1.61 -0.08 -1.26 -4.81 116.55 113.87 1sie n ASP 363 Ca 0.00 0.98 -0.19 0.00 -1.51 0.00 0.00 54.79 54.08 1sie n ASP 363 Cb 0.00 -1.04 -0.13 0.00 2.34 0.00 0.00 41.12 42.30 1sie n ASP 363 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sie h PRO 364 N 7.33 0.42 -1.42 -0.67 0.13 -2.03 -3.15 132.00 132.61 1sie h PRO 364 Ca -0.38 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1sie h PRO 364 Cb 1.35 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1sie h PRO 364 CO 0.99 1.29 0.00 -3.47 -0.23 0.00 0.00 178.00 176.58 1sie n ASP 365 N -3.65 3.60 -4.79 1.44 2.03 -1.26 -4.84 116.55 109.07 1sie n ASP 365 Ca -0.11 -2.02 -0.35 0.00 0.52 0.00 0.00 54.79 52.83 1sie n ASP 365 Cb 1.01 -0.68 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 1sie n ASP 365 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sie s MET 366 N 0.10 3.97 0.53 -0.67 0.23 -1.19 -5.04 119.30 117.23 1sie s MET 366 Ca 0.00 1.39 0.08 0.00 -1.03 0.00 0.00 55.69 56.13 1sie s MET 366 Cb 0.00 -2.25 0.08 0.00 -1.53 0.00 0.00 34.83 31.13 1sie s MET 366 CO 0.00 -0.29 0.68 2.41 -2.03 0.00 0.00 175.02 175.79 1sie n THR 367 N -0.63 0.00 -3.64 3.16 -1.04 -1.26 -5.04 114.28 105.83 1sie n THR 367 Ca 0.08 -1.82 -0.05 0.00 -2.04 0.00 0.00 64.05 60.22 1sie n THR 367 Cb 0.52 -0.48 -0.07 0.00 -1.82 0.00 0.00 70.33 68.48 1sie n THR 367 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1sie s ARG 368 N -4.37 0.38 0.23 -2.82 6.06 -1.26 -3.14 118.95 114.03 1sie s ARG 368 Ca 0.52 0.55 -0.10 0.00 -2.50 0.00 0.00 55.73 54.20 1sie s ARG 368 Cb -0.04 0.14 -0.01 0.00 0.06 0.00 0.00 34.95 35.09 1sie s ARG 368 CO 0.33 -0.06 0.39 -0.47 -2.50 0.00 0.00 175.30 172.98 1sie s TYR 369 N 0.76 0.56 -0.03 5.12 6.14 -1.01 -4.92 117.35 123.97 1sie s TYR 369 Ca -0.03 -0.89 0.01 0.00 0.64 0.00 0.00 57.07 56.81 1sie s TYR 369 Cb -0.04 -0.00 0.02 0.00 0.42 0.00 0.00 41.96 42.35 1sie s TYR 369 CO -0.11 -0.90 -0.03 0.08 0.64 0.00 0.00 175.55 175.23 1sie s VAL 370 N -4.05 0.36 -0.11 3.14 1.01 -1.26 0.14 120.40 119.63 1sie s VAL 370 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1sie s VAL 370 Cb 0.01 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1sie s VAL 370 CO 0.09 0.17 0.30 -0.62 0.00 0.00 0.00 175.10 175.04 1sie s ASP 371 N 0.76 -0.31 0.00 3.32 -1.08 0.40 -4.84 116.67 114.91 1sie s ASP 371 Ca -0.09 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1sie s ASP 371 Cb -0.12 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1sie s ASP 371 CO -0.01 -0.11 0.00 0.54 0.52 0.00 0.00 175.17 176.11 1sie n ARG 372 N 3.14 0.00 0.00 4.34 5.12 -1.26 -1.82 116.66 126.18 1sie n ARG 372 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1sie n ARG 372 Cb 0.57 -3.60 0.00 0.00 -1.16 0.00 0.00 32.46 28.27 1sie n ARG 372 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 1sie n PHE 373 N -1.40 0.00 -3.36 -1.55 1.16 -1.26 -5.16 117.46 105.90 1sie n PHE 373 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.22 1sie n PHE 373 Cb 0.00 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.81 1sie n PHE 373 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1sie s GLY 374 N 0.00 2.48 -0.28 4.97 0.00 -0.75 -5.03 107.32 108.70 1sie s GLY 374 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.49 1sie s GLY 374 CO 0.00 0.17 0.18 1.25 0.00 0.00 0.00 173.10 174.70 1sie s LYS 375 N -1.87 3.95 0.06 2.90 2.20 -1.26 0.15 119.74 125.87 1sie s LYS 375 Ca 0.37 -0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.73 1sie s LYS 375 Cb -0.15 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1sie s LYS 375 CO 0.19 -0.16 -0.21 0.95 -0.36 0.00 0.00 175.35 175.77 1sie s THR 376 N 1.69 1.66 -0.51 3.43 -4.23 0.36 -4.94 115.64 113.10 1sie s THR 376 Ca 0.07 -1.27 -0.27 0.00 -1.18 0.00 0.00 61.69 59.04 1sie s THR 376 Cb -0.16 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1sie s THR 376 CO 0.10 0.14 1.82 -0.54 -0.54 0.00 0.00 174.62 175.60 1sie s LYS 377 N -1.33 2.91 0.49 3.99 1.02 -1.26 -2.39 119.74 123.16 1sie s LYS 377 Ca 0.07 0.90 -0.19 0.00 0.02 0.00 0.00 55.97 56.77 1sie s LYS 377 Cb -0.09 -4.31 -0.14 0.00 -0.52 0.00 0.00 37.83 32.78 1sie s LYS 377 CO 0.02 -2.39 0.09 2.41 -0.92 0.00 0.00 175.35 174.57 1sie n THR 378 N 7.28 0.70 -1.63 2.17 -1.04 -1.19 -4.76 114.28 115.81 1sie n THR 378 Ca 0.21 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 61.25 1sie n THR 378 Cb 0.50 -0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 68.80 1sie n THR 378 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1sie n VAL 379 N -1.40 0.70 -1.43 12.58 0.31 -1.26 -4.66 118.33 123.16 1sie n VAL 379 Ca 0.10 -0.17 -0.52 0.00 -0.01 0.00 0.00 64.34 63.73 1sie n VAL 379 Cb 0.45 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.13 1sie n VAL 379 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1sie n PHE 380 N 2.02 1.57 0.00 3.52 -1.74 -1.26 -4.62 117.46 116.94 1sie n PHE 380 Ca 0.14 0.33 0.00 0.00 -0.56 0.00 0.00 57.45 57.36 1sie n PHE 380 Cb 0.27 -2.51 0.00 0.00 1.52 0.00 0.00 39.48 38.77 1sie n PHE 380 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 1sie n PRO 381 N 8.06 0.00 -2.46 3.97 -0.04 -1.26 -3.28 135.00 139.99 1sie n PRO 381 Ca 0.42 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.48 1sie n PRO 381 Cb 0.20 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.65 1sie n PRO 381 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sie n GLY 382 N -0.77 2.39 0.00 0.55 0.00 -1.26 -5.23 105.19 100.87 1sie n GLY 382 Ca 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 46.02 44.70 1sie n GLY 382 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02