#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sie h ALA 18 N 0.00 0.15 -1.97 7.82 0.00 -2.11 -3.42 119.26 119.73 1sie h ALA 18 Ca 0.00 -0.51 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1sie h ALA 18 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1sie h ALA 18 CO 0.00 0.32 0.90 0.00 0.00 0.00 0.00 179.25 180.47 1sie n PRO 20 N 7.03 2.46 -3.23 0.00 -0.02 -1.26 -4.95 135.00 135.02 1sie n PRO 20 Ca 0.13 0.89 -0.38 0.00 -2.02 0.00 0.00 63.50 62.12 1sie n PRO 20 Cb 0.47 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1sie n PRO 20 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1sie s ARG 21 N 1.91 4.36 0.00 -0.52 3.03 -1.26 -5.04 118.95 121.43 1sie s ARG 21 Ca 0.81 0.60 0.00 0.00 2.03 0.00 0.00 55.73 59.16 1sie s ARG 21 Cb -0.59 -3.43 0.00 0.00 -1.03 0.00 0.00 34.95 29.90 1sie s ARG 21 CO 0.38 0.16 0.00 -0.35 -1.13 0.00 0.00 175.30 174.36 1sie n PRO 22 N 3.59 0.44 -2.08 3.89 -0.04 -1.26 -5.01 135.00 134.53 1sie n PRO 22 Ca -0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 1sie n PRO 22 Cb 0.51 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.99 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 -3.78 2.63 0.00 0.55 0.00 -1.26 -5.03 121.76 114.88 1sie s ALA 23 Ca 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.56 1sie s ALA 23 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1sie s ALA 23 CO 0.00 -0.92 0.29 -1.25 0.00 0.00 0.00 175.76 173.88 1sie s PRO 24 N -3.63 3.64 0.23 0.00 0.05 -1.26 -5.08 135.00 128.95 1sie s PRO 24 Ca 0.70 0.02 -0.12 0.00 0.05 0.00 0.00 61.00 61.65 1sie s PRO 24 Cb -0.22 -3.10 -0.01 0.00 0.05 0.00 0.00 34.50 31.23 1sie s PRO 24 CO 0.32 0.65 0.44 0.14 0.05 0.00 0.00 177.00 178.61 1sie s VAL 25 N -1.26 0.01 0.33 -0.36 -7.23 -1.26 -5.12 120.40 105.52 1sie s VAL 25 Ca 0.26 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 1sie s VAL 25 Cb -0.14 -2.15 -0.11 0.00 0.56 0.00 0.00 36.38 34.54 1sie s VAL 25 CO 0.15 -0.04 1.54 -0.81 -0.31 0.00 0.00 175.10 175.63 1sie n PRO 26 N -0.36 2.68 -3.12 4.82 -0.04 -1.26 -4.94 135.00 132.78 1sie n PRO 26 Ca -0.02 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 63.96 1sie n PRO 26 Cb 0.62 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.31 1sie n PRO 26 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1sie s LYS 27 N -1.26 3.57 0.69 0.54 2.20 -1.26 -5.03 119.74 119.19 1sie s LYS 27 Ca 0.59 -0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.97 1sie s LYS 27 Cb -0.49 -3.85 0.02 0.00 -1.51 0.00 0.00 37.83 32.00 1sie s LYS 27 CO 0.56 -0.80 1.18 -1.17 -0.36 0.00 0.00 175.35 174.76 1sie s LEU 28 N 2.72 3.40 -0.04 5.43 2.96 -1.26 -4.93 118.68 126.95 1sie s LEU 28 Ca 0.23 2.27 0.02 0.00 -0.22 0.00 0.00 54.13 56.44 1sie s LEU 28 Cb -0.14 -4.58 -0.04 0.00 0.50 0.00 0.00 46.19 41.93 1sie s LEU 28 CO 0.16 -1.99 -0.01 0.18 -1.32 0.00 0.00 176.35 173.37 1sie n LEU 29 N -2.44 1.42 -3.64 -0.68 4.77 -1.26 -5.05 117.00 110.12 1sie n LEU 29 Ca 0.13 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1sie n LEU 29 Cb 0.51 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1sie n LEU 29 CO 0.47 0.32 0.80 -0.51 -1.33 0.00 0.00 177.39 177.14 1sie s ILE 30 N -2.09 0.00 0.24 -0.08 2.07 -1.26 -5.14 121.20 114.94 1sie s ILE 30 Ca -0.04 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.28 1sie s ILE 30 Cb 0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1sie s ILE 30 CO 0.13 0.00 0.09 -0.75 -1.91 0.00 0.00 174.94 172.50 1sie s LYS 31 N 0.75 2.63 0.00 3.50 2.20 -1.26 -5.03 119.74 122.53 1sie s LYS 31 Ca -0.02 -1.17 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 1sie s LYS 31 Cb -0.04 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 1sie s LYS 31 CO -0.12 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 1sie n GLY 32 N -0.85 -0.47 0.00 5.54 0.00 -1.26 -4.93 105.19 103.21 1sie n GLY 32 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 4.15 0.33 -0.02 0.00 -1.26 -4.95 105.19 103.43 1sie n GLY 33 Ca 0.00 -1.39 0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 0.10 -0.84 1.61 2.86 -1.99 1.24 114.93 117.91 1sie h MET 34 Ca 0.00 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1sie h MET 34 Cb 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.56 1sie h MET 34 CO 0.00 0.07 0.47 1.05 1.06 0.00 0.00 176.91 179.56 1sie h GLU 35 N 0.11 0.75 -1.05 1.72 9.09 -1.99 0.11 114.58 123.32 1sie h GLU 35 Ca 0.80 -0.05 0.37 0.00 0.05 0.00 0.00 59.36 60.53 1sie h GLU 35 Cb 2.00 -0.17 -0.15 0.00 -1.65 0.00 0.00 28.75 28.78 1sie h GLU 35 CO -0.72 0.50 0.61 0.28 0.05 0.00 0.00 179.01 179.72 1sie h VAL 36 N 0.78 0.18 -1.00 -1.06 2.07 0.12 -2.75 116.25 114.59 1sie h VAL 36 Ca 0.41 -0.06 0.23 0.00 0.82 0.00 0.00 66.70 68.10 1sie h VAL 36 Cb 0.41 -0.02 -0.19 0.00 -1.52 0.00 0.00 31.29 29.97 1sie h VAL 36 CO -0.26 0.03 -0.12 -0.07 0.02 0.00 0.00 177.57 177.17 1sie h LEU 37 N 0.19 -0.73 -0.89 2.57 4.07 -1.08 -2.77 115.31 116.67 1sie h LEU 37 Ca 0.78 0.29 0.15 0.00 0.08 0.00 0.00 57.88 59.19 1sie h LEU 37 Cb 1.99 0.56 -0.10 0.00 1.08 0.00 0.00 40.66 44.20 1sie h LEU 37 CO -0.62 -0.35 0.48 0.44 -1.08 0.00 0.00 178.44 177.31 1sie h ASP 38 N 0.00 0.60 -2.63 -0.43 5.19 -1.68 -3.43 116.42 114.04 1sie h ASP 38 Ca 0.54 0.09 -0.60 0.00 -0.62 0.00 0.00 57.03 56.44 1sie h ASP 38 Cb 0.97 -0.01 0.13 0.00 0.18 0.00 0.00 39.33 40.60 1sie h ASP 38 CO -0.99 0.25 -0.06 -0.11 -3.12 0.00 0.00 179.24 175.21 1sie n LEU 39 N -4.84 1.44 -4.56 1.55 7.94 -1.05 -4.69 117.00 112.80 1sie n LEU 39 Ca 0.18 1.02 -0.40 0.00 -1.11 0.00 0.00 56.01 55.70 1sie n LEU 39 Cb 0.46 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 1sie n LEU 39 CO 0.21 -2.01 1.35 -0.69 -1.11 0.00 0.00 177.39 175.14 1sie s VAL 40 N -1.29 3.76 0.00 1.96 1.01 -1.26 -4.88 120.40 119.69 1sie s VAL 40 Ca 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1sie s VAL 40 Cb -0.61 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 30.93 1sie s VAL 40 CO 0.58 -1.76 0.44 0.35 0.00 0.00 0.00 175.10 174.70 1sie n THR 41 N 6.78 0.00 0.00 3.92 -2.24 -1.26 -4.97 114.28 116.51 1sie n THR 41 Ca 0.20 0.67 0.00 0.00 -2.27 0.00 0.00 64.05 62.66 1sie n THR 41 Cb 0.50 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.96 0.19 0.00 3.38 0.00 -1.26 -4.66 105.19 101.88 1sie n GLY 42 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 2.72 -0.00 1.61 -0.04 -1.26 -4.71 135.00 133.31 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 -0.70 0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.88 1.58 -4.65 3.54 8.00 -1.26 -4.22 116.55 118.66 1sie n ASP 44 Ca 0.00 -1.30 -0.59 0.00 0.71 0.00 0.00 54.79 53.61 1sie n ASP 44 Cb 0.00 -0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.37 2.01 -4.86 -2.24 3.41 -1.26 -4.88 113.62 106.16 1sie n SER 45 Ca 0.04 0.98 -0.37 0.00 -0.26 0.00 0.00 58.87 59.27 1sie n SER 45 Cb 0.17 -1.09 -0.06 0.00 -0.26 0.00 0.00 64.21 62.98 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 4.13 5.23 -0.10 -3.33 1.01 -1.26 -4.33 120.40 121.74 1sie s VAL 46 Ca 1.03 0.48 0.04 0.00 0.00 0.00 0.00 61.98 63.52 1sie s VAL 46 Cb -1.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1sie s VAL 46 CO 0.67 0.51 -0.22 -0.89 0.00 0.00 0.00 175.10 175.16 1sie s THR 47 N -1.15 1.95 -0.13 3.92 2.01 -0.50 -5.00 115.64 116.74 1sie s THR 47 Ca 0.23 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1sie s THR 47 Cb -0.14 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1sie s THR 47 CO 0.12 0.54 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.89 1sie s GLU 48 N 0.44 3.39 -0.10 4.92 2.02 -1.26 -0.97 118.70 127.14 1sie s GLU 48 Ca -0.17 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 1sie s GLU 48 Cb -0.17 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.36 1sie s GLU 48 CO 0.07 0.29 -0.06 0.42 0.02 0.00 0.00 175.26 176.00 1sie s ILE 49 N 0.18 0.87 -0.02 -1.63 1.01 -0.17 -4.97 121.20 116.48 1sie s ILE 49 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 1sie s ILE 49 Cb -0.15 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1sie s ILE 49 CO 0.04 0.34 0.15 -1.61 0.00 0.00 0.00 174.94 173.86 1sie s GLU 50 N 1.61 3.33 0.02 2.79 8.01 -1.25 -0.59 118.70 132.63 1sie s GLU 50 Ca 0.02 -0.35 -0.03 0.00 0.01 0.00 0.00 54.97 54.62 1sie s GLU 50 Cb -0.13 -3.04 0.01 0.00 -4.31 0.00 0.00 34.13 26.67 1sie s GLU 50 CO -0.06 0.68 0.15 0.00 0.01 0.00 0.00 175.26 176.03 1sie n ALA 51 N 1.10 -0.39 -3.82 5.21 0.00 0.40 -4.97 120.51 118.03 1sie n ALA 51 Ca -0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 1sie n ALA 51 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -5.06 -0.01 -0.02 0.00 -0.12 -1.26 0.28 117.98 111.79 1sie s PHE 52 Ca 0.03 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 1sie s PHE 52 Cb -0.00 0.68 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 1sie s PHE 52 CO 0.01 -0.89 -0.07 -0.51 -0.05 0.00 0.00 175.22 173.70 1sie s LEU 53 N -3.19 1.82 -0.17 -1.99 1.02 -0.18 -4.97 118.68 111.01 1sie s LEU 53 Ca 0.17 -0.14 -0.18 0.00 0.02 0.00 0.00 54.13 54.01 1sie s LEU 53 Cb -0.02 -0.43 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 1sie s LEU 53 CO 0.04 0.05 0.48 0.20 0.02 0.00 0.00 176.35 177.14 1sie s ASN 54 N 0.13 6.57 -0.78 2.29 0.02 -1.26 -1.36 114.94 120.56 1sie s ASN 54 Ca -0.02 0.68 -0.17 0.00 -1.02 0.00 0.00 52.86 52.33 1sie s ASN 54 Cb -0.06 -2.28 -0.19 0.00 0.02 0.00 0.00 41.25 38.74 1sie s ASN 54 CO -0.00 -0.10 2.04 -0.81 0.02 0.00 0.00 177.10 178.25 1sie n PRO 55 N 4.35 0.21 -2.91 -0.60 -0.04 -1.26 -4.92 135.00 129.84 1sie n PRO 55 Ca -0.06 -0.69 -0.44 0.00 -0.04 0.00 0.00 63.50 62.27 1sie n PRO 55 Cb 0.51 -2.61 -0.01 0.00 -0.04 0.00 0.00 33.50 31.35 1sie n PRO 55 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1sie s ARG 56 N 7.68 3.82 -0.22 0.54 0.52 -1.26 -4.69 118.95 125.33 1sie s ARG 56 Ca 0.84 -2.09 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1sie s ARG 56 Cb -0.27 -5.02 0.06 0.00 0.52 0.00 0.00 34.95 30.24 1sie s ARG 56 CO 0.22 -1.80 0.00 0.00 0.02 0.00 0.00 175.30 173.73 1sie s MET 57 N 2.36 1.10 1.09 3.54 0.23 -1.26 -3.41 119.30 122.95 1sie s MET 57 Ca 0.38 -0.75 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 1sie s MET 57 Cb -0.03 -2.33 0.00 0.00 -1.53 0.00 0.00 34.83 30.93 1sie s MET 57 CO -0.05 -0.65 0.00 0.41 -2.03 0.00 0.00 175.02 172.70 1sie n GLY 58 N 4.85 1.17 3.67 3.16 0.00 -1.24 -3.44 105.19 113.35 1sie n GLY 58 Ca -0.10 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1sie n GLY 58 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sie s GLN 59 N 0.00 4.29 0.58 1.61 2.00 -0.69 -4.72 119.66 122.74 1sie s GLN 59 Ca 0.00 1.04 -0.14 0.00 -2.00 0.00 0.00 55.36 54.26 1sie s GLN 59 Cb 0.00 -3.58 -0.05 0.00 0.80 0.00 0.00 33.01 30.18 1sie s GLN 59 CO 0.00 -0.35 1.02 -1.25 -0.50 0.00 0.00 175.29 174.21 1sie s PRO 60 N 2.23 3.60 0.23 1.67 0.04 -1.26 -3.70 135.00 137.81 1sie s PRO 60 Ca 0.39 0.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.29 1sie s PRO 60 Cb -0.16 -2.08 0.36 0.00 0.04 0.00 0.00 34.50 32.66 1sie s PRO 60 CO 0.12 -0.56 1.67 -1.00 0.04 0.00 0.00 177.00 177.26 1sie h PRO 61 N 0.28 0.16 -0.92 0.56 0.13 -1.99 -3.33 132.00 126.90 1sie h PRO 61 Ca -0.46 -0.01 0.22 0.00 -0.87 0.00 0.00 66.00 64.88 1sie h PRO 61 Cb 1.20 -0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 1sie h PRO 61 CO 0.60 0.10 -0.08 1.79 -0.23 0.00 0.00 178.00 180.18 1sie h THR 62 N 0.16 0.10 -0.92 1.56 1.35 -2.04 -3.31 112.91 109.81 1sie h THR 62 Ca 0.36 -0.01 -0.31 0.00 -0.55 0.00 0.00 66.41 65.90 1sie h THR 62 Cb 0.60 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.05 1sie h THR 62 CO -0.54 0.00 0.81 -2.84 -0.25 0.00 0.00 175.52 172.70 1sie s PRO 63 N -6.13 2.51 0.53 4.72 0.02 -1.25 -4.72 135.00 130.68 1sie s PRO 63 Ca -0.14 -0.08 0.23 0.00 0.02 0.00 0.00 61.00 61.04 1sie s PRO 63 Cb 0.26 -4.93 1.36 0.00 0.02 0.00 0.00 34.50 31.22 1sie s PRO 63 CO 0.77 -3.33 2.02 0.93 -0.33 0.00 0.00 177.00 177.06 1sie h GLU 64 N 12.07 0.01 -5.96 5.54 4.39 -1.93 -3.41 114.58 125.31 1sie h GLU 64 Ca 0.03 -0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.11 1sie h GLU 64 Cb 1.03 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 1sie h GLU 64 CO 1.20 0.01 -0.45 0.45 -1.16 0.00 0.00 179.01 179.06 1sie s SER 65 N -6.35 6.40 -0.12 1.42 0.15 -1.26 -4.96 113.70 108.98 1sie s SER 65 Ca -0.05 0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.99 1sie s SER 65 Cb 0.19 -2.00 0.25 0.00 -1.71 0.00 0.00 66.02 62.75 1sie s SER 65 CO 0.72 0.16 1.11 0.18 1.20 0.00 0.00 173.24 176.61 1sie n LEU 66 N 0.35 3.43 0.00 3.45 4.77 -1.26 -1.02 117.00 126.71 1sie n LEU 66 Ca -0.05 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1sie n LEU 66 Cb 0.51 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1sie n LEU 66 CO 0.50 0.53 -0.48 0.35 -1.33 0.00 0.00 177.39 176.96 1sie n THR 67 N 0.08 0.00 0.05 -5.08 -2.24 -1.26 -4.05 114.28 101.77 1sie n THR 67 Ca 0.15 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.75 1sie n THR 67 Cb 0.73 -1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 1sie n THR 67 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sie h GLU 68 N 0.00 0.24 -0.50 -0.78 4.11 -1.91 -3.26 114.58 112.48 1sie h GLU 68 Ca 0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1sie h GLU 68 Cb 0.96 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sie h GLU 68 CO 0.00 1.09 0.00 0.41 0.07 0.00 0.00 179.01 180.58 1sie n GLY 69 N 1.73 2.35 2.79 1.06 0.00 -0.19 -4.92 105.19 108.02 1sie n GLY 69 Ca -0.20 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 1.14 -0.34 0.89 -0.02 0.00 -1.20 -1.63 105.19 104.03 1sie n GLY 70 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.45 0.00 0.00 1.61 1.13 -1.25 -4.80 117.38 111.62 1sie n GLN 71 Ca 0.04 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.22 1sie n GLN 71 Cb 0.36 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.86 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 -0.06 0.00 -1.43 1.08 4.01 -0.65 -4.98 117.16 115.13 1sie n TYR 72 Ca 0.00 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.23 1sie n TYR 72 Cb 0.00 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1sie n TYR 72 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1sie n TYR 73 N 0.50 1.51 0.00 -0.72 9.36 -1.26 0.77 117.16 127.32 1sie n TYR 73 Ca 0.13 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1sie n TYR 73 Cb 0.50 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 1sie n TYR 73 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1sie n GLY 74 N 6.64 1.37 3.53 2.98 0.00 -1.24 -5.06 105.19 113.41 1sie n GLY 74 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.00 -0.61 0.81 1.61 0.51 0.23 -3.52 118.94 115.97 1sie s TRP 75 Ca 0.00 1.02 -0.11 0.00 -2.12 0.00 0.00 56.10 54.89 1sie s TRP 75 Cb 0.00 0.42 0.08 0.00 -0.81 0.00 0.00 33.47 33.16 1sie s TRP 75 CO 0.00 -0.57 1.09 -1.12 -0.51 0.00 0.00 176.95 175.84 1sie s SER 76 N -1.23 4.25 -0.10 2.95 0.01 -0.11 -1.70 113.70 117.77 1sie s SER 76 Ca -0.09 1.67 -0.04 0.00 1.31 0.00 0.00 55.95 58.79 1sie s SER 76 Cb -0.00 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1sie s SER 76 CO 0.08 -2.17 0.15 0.03 0.41 0.00 0.00 173.24 171.73 1sie h ARG 77 N -1.22 -0.05 -1.80 12.44 3.08 -0.94 -3.42 114.38 122.46 1sie h ARG 77 Ca -0.46 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.61 1sie h ARG 77 Cb 1.25 0.01 -0.24 0.00 0.08 0.00 0.00 29.97 31.07 1sie h ARG 77 CO 0.53 0.06 0.30 0.20 -1.07 0.00 0.00 179.97 179.99 1sie s GLY 78 N -3.54 -0.34 -0.66 0.04 0.00 -1.26 -4.59 107.32 96.96 1sie s GLY 78 Ca -0.03 2.36 -0.27 0.00 0.00 0.00 0.00 44.72 46.78 1sie s GLY 78 CO 0.09 1.80 1.39 -0.42 0.00 0.00 0.00 173.10 175.96 1sie s ILE 79 N 0.31 3.71 0.26 0.90 -1.09 -1.26 -4.57 121.20 119.45 1sie s ILE 79 Ca 0.02 0.49 -0.29 0.00 -2.23 0.00 0.00 60.65 58.63 1sie s ILE 79 Cb -0.05 -4.64 -0.09 0.00 -1.58 0.00 0.00 42.46 36.09 1sie s ILE 79 CO -0.03 -1.51 1.25 0.21 -1.23 0.00 0.00 174.94 173.63 1sie s ASN 80 N 4.47 6.97 0.00 3.58 3.84 -1.26 -4.67 114.94 127.86 1sie s ASN 80 Ca 0.45 2.44 0.00 0.00 0.21 0.00 0.00 52.86 55.96 1sie s ASN 80 Cb -0.09 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 1sie s ASN 80 CO 0.19 -0.42 0.00 -0.11 -2.79 0.00 0.00 177.10 173.97 1sie n LEU 81 N 1.67 0.00 -3.65 3.21 0.00 -1.26 -4.90 117.00 112.08 1sie n LEU 81 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.93 1sie n LEU 81 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.82 1sie n LEU 81 CO 0.57 0.00 0.30 0.00 0.00 0.00 0.00 177.39 178.26 1sie s ALA 82 N -3.14 -1.12 -0.01 1.96 0.00 -1.26 -4.40 121.76 113.80 1sie s ALA 82 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 1sie s ALA 82 Cb 0.00 0.83 -0.12 0.00 0.00 0.00 0.00 23.12 23.84 1sie s ALA 82 CO 0.00 -0.78 0.91 1.15 0.00 0.00 0.00 175.76 177.04 1sie h THR 83 N 2.16 0.00 0.00 0.00 2.02 -1.66 -3.50 112.91 111.94 1sie h THR 83 Ca -0.30 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1sie h THR 83 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1sie h THR 83 CO 0.38 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 176.03 1sie n SER 84 N -5.17 0.00 0.00 4.18 2.88 -0.73 -4.96 113.62 109.82 1sie n SER 84 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1sie n SER 84 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 0.18 -3.46 2.03 -1.26 -0.64 116.55 113.41 1sie n ASP 85 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 1sie n ASP 85 Cb 0.00 0.00 0.60 0.00 -0.72 0.00 0.00 41.12 41.00 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 0.11 -2.95 5.18 1.03 -2.04 -3.39 112.91 110.85 1sie h THR 86 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.21 1sie h THR 86 Cb 0.00 0.45 -0.30 0.00 -1.07 0.00 0.00 68.15 67.23 1sie h THR 86 CO 0.00 0.00 -0.48 -0.70 -0.01 0.00 0.00 175.52 174.33 1sie s GLU 87 N -4.28 0.21 -0.26 0.00 2.12 0.19 -5.05 118.70 111.63 1sie s GLU 87 Ca -0.03 0.60 -0.01 0.00 0.36 0.00 0.00 54.97 55.89 1sie s GLU 87 Cb 0.10 -0.09 0.13 0.00 0.26 0.00 0.00 34.13 34.53 1sie s GLU 87 CO 0.33 -0.19 0.33 0.34 -0.54 0.00 0.00 175.26 175.54 1sie s ASP 88 N 1.51 0.87 -0.24 -1.70 2.15 -1.26 -1.47 116.67 116.53 1sie s ASP 88 Ca -0.07 -0.24 0.02 0.00 0.43 0.00 0.00 52.55 52.68 1sie s ASP 88 Cb -0.11 0.82 0.06 0.00 -0.30 0.00 0.00 42.92 43.39 1sie s ASP 88 CO -0.09 -0.34 -0.08 -0.55 -0.17 0.00 0.00 175.17 173.94 1sie s SER 89 N 2.46 4.03 0.02 -0.34 0.15 -1.26 0.31 113.70 119.06 1sie s SER 89 Ca 0.10 -1.23 -0.08 0.00 0.70 0.00 0.00 55.95 55.44 1sie s SER 89 Cb -0.14 -1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1sie s SER 89 CO -0.23 -0.21 1.13 -0.65 1.20 0.00 0.00 173.24 174.49 1sie h PRO 90 N 7.89 -0.18 0.00 5.44 0.11 -1.84 -3.46 132.00 139.96 1sie h PRO 90 Ca -0.20 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1sie h PRO 90 Cb 1.06 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sie h PRO 90 CO 0.44 -0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 1sie n GLY 91 N -1.12 1.07 0.03 -0.55 0.00 -1.26 -4.54 105.19 98.82 1sie n GLY 91 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 45.00 1sie n GLY 91 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sie n ASN 92 N 0.00 0.03 -0.18 1.61 4.13 -1.26 0.37 115.26 119.96 1sie n ASN 92 Ca 0.00 0.19 0.02 0.00 1.68 0.00 0.00 54.58 56.46 1sie n ASN 92 Cb 0.00 -0.16 0.04 0.00 -1.54 0.00 0.00 39.78 38.12 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 -1.28 2.22 -1.22 6.41 6.94 -1.26 -4.05 115.26 123.02 1sie n ASN 93 Ca -0.00 -1.96 0.10 0.00 -0.02 0.00 0.00 54.58 52.69 1sie n ASN 93 Cb 0.39 -0.06 0.29 0.00 -2.36 0.00 0.00 39.78 38.03 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 -0.19 1.03 -3.82 5.53 -1.04 0.16 -0.26 114.28 115.69 1sie n THR 94 Ca 0.03 -0.88 -0.30 0.00 -2.04 0.00 0.00 64.05 60.86 1sie n THR 94 Cb 0.29 0.32 -0.15 0.00 -1.82 0.00 0.00 70.33 68.97 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 -1.17 2.36 0.26 -4.42 1.43 -1.25 -4.94 118.68 110.95 1sie s LEU 95 Ca 0.42 -1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 1sie s LEU 95 Cb 0.24 -0.98 -0.10 0.00 0.03 0.00 0.00 46.19 45.38 1sie s LEU 95 CO 0.27 -0.34 1.40 -2.16 0.23 0.00 0.00 176.35 175.75 1sie s PRO 96 N 1.53 4.29 0.12 1.29 0.04 -1.26 -3.71 135.00 137.30 1sie s PRO 96 Ca 0.03 2.27 0.09 0.00 0.04 0.00 0.00 61.00 63.43 1sie s PRO 96 Cb -0.18 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1sie s PRO 96 CO -0.14 -0.36 -0.23 0.95 0.04 0.00 0.00 177.00 177.26 1sie s THR 97 N -0.25 1.92 0.28 1.26 -4.23 -1.22 -0.77 115.64 112.63 1sie s THR 97 Ca 0.57 -1.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.10 1sie s THR 97 Cb -0.41 -1.76 -0.14 0.00 1.34 0.00 0.00 72.50 71.54 1sie s THR 97 CO 0.45 -0.05 1.22 0.79 -0.54 0.00 0.00 174.62 176.49 1sie n TRP 98 N 0.88 1.81 -4.94 3.99 7.02 0.86 -4.53 117.44 122.53 1sie n TRP 98 Ca -0.18 0.59 -0.33 0.00 -1.02 0.00 0.00 57.50 56.56 1sie n TRP 98 Cb 0.54 -2.36 -0.14 0.00 -2.42 0.00 0.00 31.31 26.94 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 -0.20 3.89 0.19 -0.99 0.01 -0.84 -0.70 113.70 115.06 1sie s SER 99 Ca 0.62 -0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.40 1sie s SER 99 Cb -0.67 -0.83 0.07 0.00 0.21 0.00 0.00 66.02 64.80 1sie s SER 99 CO 0.57 0.33 0.97 0.00 0.41 0.00 0.00 173.24 175.52 1sie s MET 100 N -0.64 1.35 0.23 12.44 0.23 -1.26 -1.31 119.30 130.34 1sie s MET 100 Ca 0.10 -0.81 -0.22 0.00 -1.03 0.00 0.00 55.69 53.73 1sie s MET 100 Cb -0.11 0.42 0.06 0.00 -1.53 0.00 0.00 34.83 33.67 1sie s MET 100 CO 0.01 -0.63 0.92 0.00 -2.03 0.00 0.00 175.02 173.29 1sie s ALA 101 N -2.76 -1.39 -0.07 3.16 0.00 -0.94 -4.94 121.76 114.81 1sie s ALA 101 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1sie s ALA 101 Cb -0.02 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1sie s ALA 101 CO 0.04 -1.04 -0.02 0.21 0.00 0.00 0.00 175.76 174.95 1sie s LYS 102 N -2.82 0.85 -0.20 0.00 2.20 -1.26 -2.04 119.74 116.47 1sie s LYS 102 Ca 0.16 -0.01 -0.26 0.00 -0.36 0.00 0.00 55.97 55.50 1sie s LYS 102 Cb -0.03 -1.08 -0.01 0.00 -1.51 0.00 0.00 37.83 35.20 1sie s LYS 102 CO 0.06 -0.25 0.87 -0.51 -0.36 0.00 0.00 175.35 175.16 1sie s LEU 103 N 1.71 4.14 -0.49 5.43 2.01 0.33 -4.87 118.68 126.94 1sie s LEU 103 Ca 0.02 1.18 -0.21 0.00 0.01 0.00 0.00 54.13 55.12 1sie s LEU 103 Cb -0.13 -3.28 0.04 0.00 0.01 0.00 0.00 46.19 42.83 1sie s LEU 103 CO -0.05 -0.48 0.73 -1.58 1.01 0.00 0.00 176.35 175.98 1sie s GLN 104 N 2.53 3.26 0.69 1.70 2.00 -1.26 -1.29 119.66 127.29 1sie s GLN 104 Ca 0.38 -0.48 -0.04 0.00 -2.00 0.00 0.00 55.36 53.22 1sie s GLN 104 Cb -0.16 -4.02 0.08 0.00 0.80 0.00 0.00 33.01 29.71 1sie s GLN 104 CO 0.10 -1.21 0.98 -0.51 -0.50 0.00 0.00 175.29 174.15 1sie s LEU 105 N 3.10 2.95 0.11 3.68 1.02 0.11 -5.01 118.68 124.64 1sie s LEU 105 Ca 0.23 0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.56 1sie s LEU 105 Cb -0.15 -2.77 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 1sie s LEU 105 CO 0.17 -1.64 0.26 -2.16 0.02 0.00 0.00 176.35 173.01 1sie s PRO 106 N -5.17 3.45 0.62 1.29 0.05 -1.26 -4.75 135.00 129.23 1sie s PRO 106 Ca 0.62 -0.50 -0.18 0.00 0.05 0.00 0.00 61.00 60.98 1sie s PRO 106 Cb -0.09 -2.99 -0.02 0.00 0.05 0.00 0.00 34.50 31.45 1sie s PRO 106 CO 0.44 0.55 1.24 -1.64 0.05 0.00 0.00 177.00 177.64 1sie s MET 107 N -2.92 2.75 0.00 4.56 -1.94 -1.26 -4.99 119.30 115.50 1sie s MET 107 Ca 0.35 1.92 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 1sie s MET 107 Cb -0.12 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.83 1sie s MET 107 CO 0.28 -1.40 0.00 1.28 -0.01 0.00 0.00 175.02 175.17 1sie n LEU 108 N -1.80 0.00 -4.96 -0.03 7.99 -1.26 -5.14 117.00 111.80 1sie n LEU 108 Ca 0.14 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.93 1sie n LEU 108 Cb 0.49 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.83 1sie n LEU 108 CO 0.46 0.00 0.33 0.20 -1.51 0.00 0.00 177.39 176.87 1sie s ASN 109 N -0.38 5.52 0.19 -1.43 0.02 -1.26 -4.94 114.94 112.66 1sie s ASN 109 Ca 0.00 0.12 0.04 0.00 -1.02 0.00 0.00 52.86 52.00 1sie s ASN 109 Cb 0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 41.25 40.09 1sie s ASN 109 CO 0.00 -0.95 0.17 -1.84 0.02 0.00 0.00 177.10 174.50 1sie n GLU 110 N -2.23 0.24 -2.70 -0.60 0.28 -1.26 -2.00 120.64 112.38 1sie n GLU 110 Ca 0.05 -1.89 -0.05 0.00 -0.16 0.00 0.00 57.16 55.12 1sie n GLU 110 Cb 0.59 1.56 0.05 0.00 1.43 0.00 0.00 31.44 35.07 1sie n GLU 110 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1sie n ASP 111 N -2.22 -1.99 0.33 -1.84 -0.08 -0.51 -4.98 116.55 105.26 1sie n ASP 111 Ca 0.04 -1.93 0.18 0.00 -1.51 0.00 0.00 54.79 51.56 1sie n ASP 111 Cb 0.34 1.08 0.95 0.00 2.34 0.00 0.00 41.12 45.83 1sie n ASP 111 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1sie h LEU 112 N 3.97 0.00 -1.01 -2.67 4.07 -1.93 0.29 115.31 118.02 1sie h LEU 112 Ca -0.09 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.94 1sie h LEU 112 Cb 1.15 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.82 1sie h LEU 112 CO -0.04 0.00 0.65 0.74 -1.08 0.00 0.00 178.44 178.71 1sie h THR 113 N 0.00 1.07 -0.13 0.22 2.02 -1.94 -2.01 112.91 112.14 1sie h THR 113 Ca 0.00 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1sie h THR 113 Cb 0.40 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1sie h THR 113 CO 0.00 0.21 -0.03 0.00 0.37 0.00 0.00 175.52 176.07 1sie n ASP 115 N -1.03 -2.20 -4.73 0.00 2.03 -0.35 -4.84 116.55 105.43 1sie n ASP 115 Ca 0.20 -0.21 -0.33 0.00 0.52 0.00 0.00 54.79 54.97 1sie n ASP 115 Cb 0.77 -1.92 -0.08 0.00 -0.72 0.00 0.00 41.12 39.18 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 -2.62 4.46 0.16 5.18 -1.32 -0.76 0.14 115.64 120.88 1sie s THR 116 Ca 0.32 -0.47 0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1sie s THR 116 Cb -0.18 -3.00 -0.05 0.00 -1.51 0.00 0.00 72.50 67.76 1sie s THR 116 CO 0.39 0.39 -0.11 -0.76 -2.21 0.00 0.00 174.62 172.32 1sie s LEU 117 N -1.57 2.53 -0.12 9.08 1.43 -0.29 -1.42 118.68 128.33 1sie s LEU 117 Ca 0.20 -1.02 0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1sie s LEU 117 Cb -0.12 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1sie s LEU 117 CO 0.11 -0.29 -0.18 -1.58 0.23 0.00 0.00 176.35 174.64 1sie s GLN 118 N -3.72 3.23 0.09 1.70 0.74 -0.85 -0.05 119.66 120.80 1sie s GLN 118 Ca 0.19 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.85 1sie s GLN 118 Cb 0.02 -2.49 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 1sie s GLN 118 CO 0.02 0.21 -0.06 0.00 -0.55 0.00 0.00 175.29 174.91 1sie s MET 119 N 0.32 0.81 -0.05 1.67 0.23 0.17 -4.52 119.30 117.94 1sie s MET 119 Ca -0.14 -1.31 -0.30 0.00 -1.03 0.00 0.00 55.69 52.91 1sie s MET 119 Cb -0.17 -0.19 -0.05 0.00 -1.53 0.00 0.00 34.83 32.90 1sie s MET 119 CO 0.07 -0.02 1.40 -1.58 -2.03 0.00 0.00 175.02 172.86 1sie s TRP 120 N -3.56 2.72 -0.24 3.16 0.23 -1.26 -0.64 118.94 119.35 1sie s TRP 120 Ca 0.11 0.77 0.02 0.00 -2.03 0.00 0.00 56.10 54.97 1sie s TRP 120 Cb 0.05 -3.66 0.05 0.00 0.03 0.00 0.00 33.47 29.94 1sie s TRP 120 CO -0.05 -2.47 -0.12 -2.00 0.96 0.00 0.00 176.95 173.27 1sie s GLU 121 N 2.89 2.33 0.28 4.98 2.12 0.14 0.15 118.70 131.58 1sie s GLU 121 Ca 0.63 -1.18 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 1sie s GLU 121 Cb -0.29 -2.76 -0.10 0.00 0.26 0.00 0.00 34.13 31.24 1sie s GLU 121 CO 0.24 -0.49 1.12 0.00 -0.54 0.00 0.00 175.26 175.60 1sie s ALA 122 N 1.18 3.42 0.04 6.30 0.00 0.11 -0.58 121.76 132.23 1sie s ALA 122 Ca -0.05 0.94 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 1sie s ALA 122 Cb -0.18 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1sie s ALA 122 CO -0.07 -0.22 -0.07 0.28 0.00 0.00 0.00 175.76 175.69 1sie n VAL 123 N 1.18 1.18 -4.31 0.00 0.31 0.30 -2.92 118.33 114.08 1sie n VAL 123 Ca -0.01 0.33 -0.18 0.00 -0.01 0.00 0.00 64.34 64.47 1sie n VAL 123 Cb 0.44 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.59 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 -5.88 1.41 -0.28 4.52 1.04 -1.20 0.24 113.70 113.55 1sie s SER 124 Ca -0.06 -1.60 -0.21 0.00 0.48 0.00 0.00 55.95 54.57 1sie s SER 124 Cb 0.01 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.68 1sie s SER 124 CO 0.08 -0.93 0.89 0.54 0.98 0.00 0.00 173.24 174.80 1sie s VAL 125 N -3.63 0.00 -0.17 5.02 0.11 0.29 -1.64 120.40 120.38 1sie s VAL 125 Ca 0.37 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 1sie s VAL 125 Cb 0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1sie s VAL 125 CO 0.19 0.00 0.07 -0.54 -3.33 0.00 0.00 175.10 171.50 1sie s LYS 126 N 0.83 3.90 0.20 1.54 1.02 -0.02 -0.68 119.74 126.52 1sie s LYS 126 Ca -0.03 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 55.70 1sie s LYS 126 Cb -0.05 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 1sie s LYS 126 CO -0.10 0.35 -0.10 -0.08 -0.92 0.00 0.00 175.35 174.50 1sie s THR 127 N 0.17 1.40 -0.28 2.17 -1.32 -1.26 0.41 115.64 116.93 1sie s THR 127 Ca 0.05 -2.12 -0.22 0.00 -1.21 0.00 0.00 61.69 58.20 1sie s THR 127 Cb -0.12 -2.06 0.11 0.00 -1.51 0.00 0.00 72.50 68.92 1sie s THR 127 CO 0.00 -0.58 0.93 -0.70 -2.21 0.00 0.00 174.62 172.06 1sie s GLU 128 N -3.73 0.55 -0.15 7.08 2.12 -1.17 -4.97 118.70 118.44 1sie s GLU 128 Ca 0.22 0.75 -0.07 0.00 0.36 0.00 0.00 54.97 56.24 1sie s GLU 128 Cb 0.02 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 1sie s GLU 128 CO 0.05 -0.08 0.09 0.08 -0.54 0.00 0.00 175.26 174.86 1sie s VAL 129 N 0.71 5.03 0.36 3.70 1.01 -1.26 0.23 120.40 130.18 1sie s VAL 129 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.08 1sie s VAL 129 Cb -0.05 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1sie s VAL 129 CO -0.09 0.53 0.06 0.68 0.00 0.00 0.00 175.10 176.28 1sie s VAL 130 N -0.27 2.52 0.00 2.92 -7.23 -1.04 -4.70 120.40 112.60 1sie s VAL 130 Ca 0.09 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1sie s VAL 130 Cb -0.12 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1sie s VAL 130 CO 0.01 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 1sie n GLY 131 N -1.04 0.88 0.28 2.32 0.00 -1.26 -4.17 105.19 102.20 1sie n GLY 131 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 0.43 -0.44 1.61 0.02 -1.98 0.15 113.55 113.33 1sie h SER 132 Ca 0.00 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1sie h SER 132 Cb 0.00 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1sie h SER 132 CO 0.00 0.21 0.31 1.23 -1.14 0.00 0.00 176.83 177.44 1sie h GLY 133 N 0.57 0.27 0.24 -3.77 0.00 -1.98 -1.77 103.07 96.62 1sie h GLY 133 Ca 0.39 -0.08 0.25 0.00 0.00 0.00 0.00 47.33 47.88 1sie h GLY 133 CO -0.32 0.05 0.63 0.23 0.00 0.00 0.00 176.54 177.13 1sie h SER 134 N 0.20 0.09 0.00 0.19 0.87 -1.09 0.60 113.55 114.40 1sie h SER 134 Ca 0.20 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1sie h SER 134 Cb 0.55 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1sie h SER 134 CO -0.03 0.03 0.00 0.18 -0.53 0.00 0.00 176.83 176.48 1sie n LEU 135 N -4.33 0.00 -0.45 2.23 7.99 -0.67 -2.97 117.00 118.80 1sie n LEU 135 Ca 0.19 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.31 1sie n LEU 135 Cb 0.90 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 44.43 1sie n LEU 135 CO 0.37 0.00 0.55 0.18 -1.51 0.00 0.00 177.39 176.97 1sie n LEU 136 N -0.84 1.68 -4.59 2.23 4.77 0.20 -4.67 117.00 115.79 1sie n LEU 136 Ca 0.05 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 55.05 1sie n LEU 136 Cb 0.02 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1sie n LEU 136 CO 0.04 0.30 1.09 -0.62 -1.33 0.00 0.00 177.39 176.88 1sie s ASP 137 N -2.38 6.49 -0.06 -1.43 -1.08 -1.16 -4.85 116.67 112.21 1sie s ASP 137 Ca 0.24 0.36 0.15 0.00 -0.52 0.00 0.00 52.55 52.78 1sie s ASP 137 Cb 0.19 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.59 1sie s ASP 137 CO 0.49 -1.40 1.41 1.33 0.52 0.00 0.00 175.17 177.52 1sie n VAL 138 N 6.82 1.40 -0.27 1.11 0.24 -1.26 -4.82 118.33 121.55 1sie n VAL 138 Ca 0.11 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 1sie n VAL 138 Cb 0.49 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.65 0.00 -1.18 6.34 -0.00 -1.26 0.13 115.22 119.90 1sie n HIS 139 Ca 0.18 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 58.06 1sie n HIS 139 Cb 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.58 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 -2.03 3.00 -1.39 0.00 -1.26 -4.20 105.19 104.31 1sie n GLY 140 Ca 0.00 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 1sie n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sie n PHE 141 N -3.75 3.21 -3.44 1.61 3.72 -1.26 -4.58 117.46 112.97 1sie n PHE 141 Ca -0.01 -3.21 -0.19 0.00 -0.05 0.00 0.00 57.45 54.00 1sie n PHE 141 Cb 0.54 -1.23 -0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1sie n PHE 141 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1sie s ASN 142 N -1.15 5.96 0.86 4.37 -0.87 -1.26 -0.81 114.94 122.05 1sie s ASN 142 Ca 0.32 -0.17 -0.13 0.00 -1.57 0.00 0.00 52.86 51.31 1sie s ASN 142 Cb 0.02 -1.23 0.07 0.00 -0.02 0.00 0.00 41.25 40.09 1sie s ASN 142 CO 0.03 -0.45 0.91 0.29 -2.57 0.00 0.00 177.10 175.31 1sie n LYS 143 N -1.67 -0.07 -4.24 -0.60 5.02 -0.94 -3.71 118.16 111.96 1sie n LYS 143 Ca 0.00 0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 1sie n LYS 143 Cb 0.58 -2.21 -0.05 0.00 -0.02 0.00 0.00 35.03 33.34 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 -3.95 2.23 0.06 1.97 0.02 -1.26 -0.16 135.00 133.91 1sie s PRO 144 Ca 0.67 -2.11 -0.12 0.00 0.02 0.00 0.00 61.00 59.46 1sie s PRO 144 Cb -0.27 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1sie s PRO 144 CO 0.57 -0.41 1.21 1.15 -0.33 0.00 0.00 177.00 179.19 1sie h THR 145 N 1.11 0.00 -3.65 0.99 2.02 -0.56 -3.32 112.91 109.50 1sie h THR 145 Ca -0.41 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 66.08 1sie h THR 145 Cb 1.29 0.00 -0.20 0.00 -1.74 0.00 0.00 68.15 67.51 1sie h THR 145 CO 0.66 0.00 -0.47 -0.62 0.37 0.00 0.00 175.52 175.46 1sie s ASP 146 N -3.84 6.03 -0.07 4.18 -1.08 0.20 -4.91 116.67 117.17 1sie s ASP 146 Ca -0.05 -0.58 -0.02 0.00 -0.52 0.00 0.00 52.55 51.38 1sie s ASP 146 Cb 0.04 -2.13 -0.26 0.00 -1.46 0.00 0.00 42.92 39.11 1sie s ASP 146 CO 0.23 -0.30 0.55 0.71 0.52 0.00 0.00 175.17 176.88 1sie h THR 147 N 5.55 0.79 -0.58 1.71 1.35 -1.76 0.30 112.91 120.27 1sie h THR 147 Ca -0.30 -2.52 0.05 0.00 -0.55 0.00 0.00 66.41 63.10 1sie h THR 147 Cb 1.14 2.55 -0.07 0.00 -1.73 0.00 0.00 68.15 70.05 1sie h THR 147 CO 0.66 0.79 -0.36 0.58 -0.25 0.00 0.00 175.52 176.94 1sie h VAL 148 N 0.06 0.00 -0.90 6.82 2.07 -1.92 0.24 116.25 122.62 1sie h VAL 148 Ca -0.35 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.63 1sie h VAL 148 Cb 2.03 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 31.52 1sie h VAL 148 CO 0.11 0.00 0.54 0.59 0.02 0.00 0.00 177.57 178.83 1sie n ASN 149 N -4.37 5.11 -3.64 0.57 3.02 -1.26 -4.90 115.26 109.79 1sie n ASN 149 Ca 0.01 -3.71 -0.20 0.00 -0.03 0.00 0.00 54.58 50.65 1sie n ASN 149 Cb 0.16 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.44 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 -1.03 -0.67 -4.39 3.41 -1.04 0.84 -4.86 114.28 106.53 1sie n THR 150 Ca 0.56 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.05 62.06 1sie n THR 150 Cb 1.17 -0.66 -0.10 0.00 -1.82 0.00 0.00 70.33 68.92 1sie n THR 150 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1sie s LYS 151 N -5.75 1.46 0.00 -2.82 2.47 0.11 -4.98 119.74 110.23 1sie s LYS 151 Ca 0.02 -1.71 0.00 0.00 -1.56 0.00 0.00 55.97 52.71 1sie s LYS 151 Cb -0.01 -1.10 0.00 0.00 -1.46 0.00 0.00 37.83 35.26 1sie s LYS 151 CO 0.62 0.08 0.00 0.41 0.16 0.00 0.00 175.35 176.61 1sie n GLY 152 N -0.51 0.52 2.94 5.54 0.00 -1.26 -0.63 105.19 111.79 1sie n GLY 152 Ca -0.06 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 0.40 -0.80 -0.61 -1.09 -1.26 -4.86 121.20 112.97 1sie s ILE 153 Ca 0.00 -0.18 -0.26 0.00 -2.23 0.00 0.00 60.65 57.98 1sie s ILE 153 Cb 0.00 -0.36 0.03 0.00 -1.58 0.00 0.00 42.46 40.55 1sie s ILE 153 CO 0.00 0.13 1.36 -0.55 -1.23 0.00 0.00 174.94 174.65 1sie s SER 154 N 0.11 6.18 -0.16 3.58 0.15 0.35 -0.04 113.70 123.87 1sie s SER 154 Ca -0.01 -0.65 -0.15 0.00 0.70 0.00 0.00 55.95 55.83 1sie s SER 154 Cb -0.05 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.64 1sie s SER 154 CO -0.00 -1.81 0.54 0.41 1.20 0.00 0.00 173.24 173.58 1sie n THR 155 N 6.57 0.00 -0.48 6.45 -1.04 0.78 -4.35 114.28 122.21 1sie n THR 155 Ca 0.12 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.00 1sie n THR 155 Cb 0.50 -0.16 0.11 0.00 -1.82 0.00 0.00 70.33 68.95 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 1.39 -2.39 -2.79 -2.82 -0.04 -1.26 -4.65 135.00 122.44 1sie n PRO 156 Ca 0.11 -0.67 -0.34 0.00 -0.04 0.00 0.00 63.50 62.55 1sie n PRO 156 Cb -0.02 -0.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.68 4.29 0.25 0.52 1.01 -1.26 -4.76 120.40 118.77 1sie s VAL 157 Ca 0.29 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 1sie s VAL 157 Cb -0.04 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1sie s VAL 157 CO 0.23 -0.22 0.39 -0.62 0.00 0.00 0.00 175.10 174.88 1sie n GLU 158 N -0.41 0.57 0.00 2.72 1.02 -1.10 -4.68 120.64 118.76 1sie n GLU 158 Ca 0.06 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 1sie n GLU 158 Cb 0.53 1.83 0.00 0.00 -0.02 0.00 0.00 31.44 33.78 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 -0.38 -3.85 3.70 0.62 0.00 0.35 -0.86 105.19 104.77 1sie n GLY 159 Ca -0.02 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1sie n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sie n SER 160 N -0.05 2.80 -4.28 1.61 7.64 0.25 -4.35 113.62 117.24 1sie n SER 160 Ca 0.00 1.20 -0.20 0.00 1.01 0.00 0.00 58.87 60.89 1sie n SER 160 Cb 0.00 -1.49 -0.11 0.00 -1.01 0.00 0.00 64.21 61.60 1sie n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sie s GLN 161 N -1.91 1.14 -0.14 1.43 -2.07 -0.10 -2.98 119.66 115.04 1sie s GLN 161 Ca 0.56 -1.32 -0.11 0.00 -1.82 0.00 0.00 55.36 52.67 1sie s GLN 161 Cb -0.56 -1.10 0.04 0.00 -1.09 0.00 0.00 33.01 30.30 1sie s GLN 161 CO 0.62 0.22 0.35 -0.47 -1.32 0.00 0.00 175.29 174.69 1sie s TYR 162 N -2.12 -0.42 -0.14 9.60 6.14 -0.24 -1.95 117.35 128.22 1sie s TYR 162 Ca 0.12 0.99 -0.06 0.00 0.64 0.00 0.00 57.07 58.76 1sie s TYR 162 Cb -0.05 0.15 0.06 0.00 0.42 0.00 0.00 41.96 42.54 1sie s TYR 162 CO 0.05 -0.22 0.31 -1.01 0.64 0.00 0.00 175.55 175.31 1sie s HIS 163 N 0.54 -0.50 0.05 4.97 3.76 -1.06 0.11 115.29 123.16 1sie s HIS 163 Ca -0.03 1.08 -0.12 0.00 -0.15 0.00 0.00 55.06 55.83 1sie s HIS 163 Cb -0.04 0.09 0.01 0.00 1.11 0.00 0.00 32.58 33.75 1sie s HIS 163 CO -0.03 -0.35 0.27 0.08 -0.85 0.00 0.00 174.74 173.86 1sie s VAL 164 N 2.03 0.09 0.17 -0.90 1.01 -1.07 -0.82 120.40 120.91 1sie s VAL 164 Ca -0.03 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1sie s VAL 164 Cb -0.11 -0.99 0.06 0.00 0.00 0.00 0.00 36.38 35.33 1sie s VAL 164 CO -0.10 -0.43 0.90 0.72 0.00 0.00 0.00 175.10 176.19 1sie s PHE 165 N -2.78 -0.16 -0.18 5.22 -0.71 0.16 -1.38 117.98 118.16 1sie s PHE 165 Ca -0.03 -0.17 -0.28 0.00 -1.04 0.00 0.00 56.93 55.41 1sie s PHE 165 Cb -0.00 0.65 0.09 0.00 -1.21 0.00 0.00 43.02 42.55 1sie s PHE 165 CO -0.05 -0.90 0.82 0.00 -1.34 0.00 0.00 175.22 173.75 1sie s ALA 166 N -3.41 -1.84 -0.22 1.99 0.00 0.32 -0.82 121.76 117.78 1sie s ALA 166 Ca 0.11 1.69 0.02 0.00 0.00 0.00 0.00 51.96 53.78 1sie s ALA 166 Cb -0.02 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1sie s ALA 166 CO 0.02 -0.32 -0.15 0.08 0.00 0.00 0.00 175.76 175.39 1sie s VAL 167 N -0.44 2.10 0.21 0.00 1.01 -0.37 -1.85 120.40 121.06 1sie s VAL 167 Ca -0.03 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.69 1sie s VAL 167 Cb -0.03 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1sie s VAL 167 CO 0.03 0.23 -0.07 -0.83 0.00 0.00 0.00 175.10 174.46 1sie s GLY 168 N 1.19 1.43 -0.30 4.51 0.00 -0.04 -1.44 107.32 112.68 1sie s GLY 168 Ca -0.02 -1.69 0.11 0.00 0.00 0.00 0.00 44.72 43.12 1sie s GLY 168 CO -0.09 -1.69 1.69 0.61 0.00 0.00 0.00 173.10 173.63 1sie n GLY 169 N -0.37 3.96 3.57 0.20 0.00 -0.75 0.18 105.19 111.97 1sie n GLY 169 Ca -0.07 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 1sie n GLY 169 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sie s GLU 170 N -3.02 0.47 0.78 1.61 -1.05 -1.26 -0.53 118.70 115.70 1sie s GLU 170 Ca 0.51 -0.17 -0.15 0.00 -0.15 0.00 0.00 54.97 55.02 1sie s GLU 170 Cb 0.42 0.22 0.04 0.00 -0.44 0.00 0.00 34.13 34.36 1sie s GLU 170 CO 0.10 -0.21 0.96 -0.35 0.95 0.00 0.00 175.26 176.72 1sie n PRO 171 N -0.14 0.28 -2.39 -4.83 -0.04 -1.26 -4.77 135.00 121.86 1sie n PRO 171 Ca -0.02 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1sie n PRO 171 Cb 0.59 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.79 1sie n PRO 171 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sie s LEU 172 N -3.65 4.38 0.09 1.53 0.20 -1.26 -4.83 118.68 115.14 1sie s LEU 172 Ca 0.71 2.08 -0.22 0.00 0.69 0.00 0.00 54.13 57.39 1sie s LEU 172 Cb -0.31 -3.58 -0.07 0.00 -0.43 0.00 0.00 46.19 41.80 1sie s LEU 172 CO 0.53 -0.48 0.65 -1.81 -0.29 0.00 0.00 176.35 174.94 1sie s ASP 173 N 0.96 7.15 -0.01 3.68 1.11 -1.26 -2.67 116.67 125.64 1sie s ASP 173 Ca 0.59 1.37 -0.14 0.00 0.18 0.00 0.00 52.55 54.54 1sie s ASP 173 Cb -0.31 -2.41 0.02 0.00 1.07 0.00 0.00 42.92 41.30 1sie s ASP 173 CO 0.30 0.21 0.30 -1.48 1.18 0.00 0.00 175.17 175.68 1sie s LEU 174 N -0.90 0.89 -0.01 1.23 0.05 -0.86 -1.83 118.68 117.24 1sie s LEU 174 Ca 0.32 0.05 0.04 0.00 0.05 0.00 0.00 54.13 54.59 1sie s LEU 174 Cb -0.20 1.25 -0.03 0.00 -2.05 0.00 0.00 46.19 45.15 1sie s LEU 174 CO 0.21 -0.46 -0.11 -1.58 -0.55 0.00 0.00 176.35 173.86 1sie s GLN 175 N -1.41 2.45 -0.12 1.48 0.74 0.18 -0.45 119.66 122.54 1sie s GLN 175 Ca -0.13 -0.75 -0.11 0.00 0.05 0.00 0.00 55.36 54.42 1sie s GLN 175 Cb -0.05 -2.40 -0.05 0.00 1.10 0.00 0.00 33.01 31.61 1sie s GLN 175 CO 0.04 0.60 0.22 0.20 -0.55 0.00 0.00 175.29 175.80 1sie s GLY 176 N -1.16 2.20 -0.13 2.59 0.00 0.20 -0.38 107.32 110.64 1sie s GLY 176 Ca 0.14 -0.53 -0.10 0.00 0.00 0.00 0.00 44.72 44.23 1sie s GLY 176 CO 0.04 0.01 0.34 -2.27 0.00 0.00 0.00 173.10 171.22 1sie s LEU 177 N -0.41 0.46 0.34 0.66 0.20 -0.62 -3.82 118.68 115.50 1sie s LEU 177 Ca 0.16 0.71 0.04 0.00 0.69 0.00 0.00 54.13 55.72 1sie s LEU 177 Cb -0.13 1.14 -0.06 0.00 -0.43 0.00 0.00 46.19 46.72 1sie s LEU 177 CO 0.04 -0.14 0.07 0.54 -0.29 0.00 0.00 176.35 176.57 1sie s VAL 178 N 0.66 1.10 0.00 1.68 0.11 -1.22 -4.44 120.40 118.28 1sie s VAL 178 Ca -0.04 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.01 1sie s VAL 178 Cb -0.05 -2.71 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1sie s VAL 178 CO -0.04 0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.08 1sie n THR 179 N -0.74 0.00 -1.74 5.04 -2.24 -1.26 -4.42 114.28 108.92 1sie n THR 179 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1sie n THR 179 Cb 0.66 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1sie n THR 179 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sie s ASP 180 N -1.00 6.44 0.00 3.42 2.15 -1.26 -4.67 116.67 121.75 1sie s ASP 180 Ca 0.00 2.75 0.16 0.00 0.43 0.00 0.00 52.55 55.89 1sie s ASP 180 Cb 0.00 -2.57 0.84 0.00 -0.30 0.00 0.00 42.92 40.89 1sie s ASP 180 CO 0.00 -0.98 1.55 0.00 -0.17 0.00 0.00 175.17 175.57 1sie n ALA 181 N 5.33 2.57 -0.01 3.66 0.00 -1.26 -3.34 120.51 127.47 1sie n ALA 181 Ca 0.17 -0.18 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1sie n ALA 181 Cb 0.38 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 1sie n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sie n ARG 182 N -0.53 0.73 0.00 0.00 3.00 -1.26 -4.59 116.66 114.00 1sie n ARG 182 Ca 0.12 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 58.22 1sie n ARG 182 Cb 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 30.84 1sie n ARG 182 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1sie n THR 183 N -3.36 0.00 -1.96 0.55 -1.04 -1.21 -4.64 114.28 102.62 1sie n THR 183 Ca -0.29 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.34 1sie n THR 183 Cb 1.05 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.00 2.21 -2.23 -2.82 4.01 0.15 -4.93 118.16 114.55 1sie n LYS 184 Ca 0.00 -2.58 -0.36 0.00 -0.51 0.00 0.00 58.31 54.86 1sie n LYS 184 Cb 0.00 -3.42 0.00 0.00 -0.51 0.00 0.00 35.03 31.10 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 6.65 2.71 -0.52 2.13 2.02 -1.26 -3.99 117.35 125.09 1sie s TYR 185 Ca 0.59 1.54 -0.28 0.00 -0.37 0.00 0.00 57.07 58.54 1sie s TYR 185 Cb 0.06 -3.34 0.02 0.00 -0.40 0.00 0.00 41.96 38.30 1sie s TYR 185 CO 0.08 -1.62 1.25 0.15 -1.57 0.00 0.00 175.55 173.84 1sie s LYS 186 N -3.08 3.55 0.21 -0.62 3.01 -1.26 -4.83 119.74 116.72 1sie s LYS 186 Ca 0.70 0.49 0.13 0.00 -1.01 0.00 0.00 55.97 56.27 1sie s LYS 186 Cb -0.26 -4.00 0.68 0.00 -1.01 0.00 0.00 37.83 33.24 1sie s LYS 186 CO 0.30 -1.62 1.34 -0.85 0.51 0.00 0.00 175.35 175.03 1sie n GLU 187 N 8.25 0.08 -4.63 1.68 0.28 -1.26 -4.54 120.64 120.49 1sie n GLU 187 Ca 0.11 0.55 -0.33 0.00 -0.16 0.00 0.00 57.16 57.34 1sie n GLU 187 Cb 0.49 -1.86 -0.11 0.00 1.43 0.00 0.00 31.44 31.39 1sie n GLU 187 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1sie s GLU 188 N -3.27 2.58 0.00 3.44 2.56 -1.26 -4.60 118.70 118.15 1sie s GLU 188 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.97 54.29 1sie s GLU 188 Cb 0.04 -2.49 0.00 0.00 2.00 0.00 0.00 34.13 33.68 1sie s GLU 188 CO 0.11 0.63 0.00 0.41 -0.56 0.00 0.00 175.26 175.85 1sie n GLY 189 N 1.97 0.55 0.00 -1.50 0.00 -1.26 -5.02 105.19 99.93 1sie n GLY 189 Ca -0.17 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1sie n GLY 189 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sie n VAL 190 N -2.94 0.00 -2.77 1.61 3.14 -1.26 -4.98 118.33 111.14 1sie n VAL 190 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1sie n VAL 190 Cb 0.09 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.84 1sie n VAL 190 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1sie s VAL 191 N -0.64 4.86 0.31 1.55 1.01 -0.83 -4.83 120.40 121.83 1sie s VAL 191 Ca 0.00 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.96 1sie s VAL 191 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1sie s VAL 191 CO 0.00 0.09 -0.02 -0.89 0.00 0.00 0.00 175.10 174.28 1sie s THR 192 N 1.57 1.58 0.25 3.92 2.01 -1.26 -4.40 115.64 119.31 1sie s THR 192 Ca 0.47 -2.08 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1sie s THR 192 Cb -0.19 -2.62 0.23 0.00 0.01 0.00 0.00 72.50 69.93 1sie s THR 192 CO 0.20 -0.17 1.71 0.16 -0.69 0.00 0.00 174.62 175.83 1sie h ILE 193 N 2.16 0.58 -0.89 1.82 -0.00 -1.95 0.48 117.51 119.71 1sie h ILE 193 Ca -0.41 -0.13 -0.02 0.00 -0.00 0.00 0.00 64.86 64.31 1sie h ILE 193 Cb 1.24 0.17 -0.04 0.00 -0.00 0.00 0.00 36.82 38.19 1sie h ILE 193 CO 0.70 0.07 0.49 0.07 -0.00 0.00 0.00 178.15 179.47 1sie h LYS 194 N 0.37 1.24 0.00 0.16 -0.00 -1.72 1.38 116.57 117.99 1sie h LYS 194 Ca 0.43 -0.14 0.00 0.00 -0.00 0.00 0.00 60.65 60.94 1sie h LYS 194 Cb 0.72 -0.24 0.00 0.00 -0.00 0.00 0.00 32.23 32.70 1sie h LYS 194 CO -0.46 0.90 0.14 1.15 -0.00 0.00 0.00 179.45 181.19 1sie h THR 195 N 1.24 0.00 0.00 0.07 2.02 -0.40 -3.25 112.91 112.59 1sie h THR 195 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1sie h THR 195 Cb 0.03 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1sie h THR 195 CO -0.05 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 175.63 1sie n ILE 196 N -2.27 0.94 -2.29 3.11 0.13 0.28 -4.83 119.36 114.43 1sie n ILE 196 Ca -0.01 0.31 -0.41 0.00 -1.10 0.00 0.00 62.75 61.53 1sie n ILE 196 Cb 0.18 -1.54 -0.03 0.00 -0.84 0.00 0.00 39.64 37.40 1sie n ILE 196 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1sie s THR 197 N -2.00 3.46 -0.60 9.51 -1.32 0.40 -4.80 115.64 120.28 1sie s THR 197 Ca 0.00 1.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.64 1sie s THR 197 Cb 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 1sie s THR 197 CO 0.00 0.16 0.46 0.29 -2.21 0.00 0.00 174.62 173.31 1sie n LYS 198 N 2.93 0.65 -3.92 7.08 4.76 -1.26 -4.14 118.16 124.26 1sie n LYS 198 Ca 0.07 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.32 1sie n LYS 198 Cb 0.44 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 1sie n LYS 198 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1sie n LYS 199 N 0.38 0.47 -2.80 1.97 5.02 -1.26 -5.04 118.16 116.90 1sie n LYS 199 Ca 0.00 -2.82 -0.32 0.00 -2.02 0.00 0.00 58.31 53.15 1sie n LYS 199 Cb 0.23 1.96 -0.05 0.00 -0.02 0.00 0.00 35.03 37.15 1sie n LYS 199 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sie s ASP 200 N -3.00 6.71 0.95 4.39 1.01 -1.26 -4.16 116.67 121.32 1sie s ASP 200 Ca 0.26 1.42 -0.13 0.00 0.71 0.00 0.00 52.55 54.81 1sie s ASP 200 Cb 0.01 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.54 1sie s ASP 200 CO 0.18 -0.39 0.38 0.23 0.21 0.00 0.00 175.17 175.78 1sie n MET 201 N -0.98 -0.30 -4.06 8.23 2.81 -1.26 -5.03 117.12 116.54 1sie n MET 201 Ca 0.05 -0.05 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 1sie n MET 201 Cb 0.54 -1.84 -0.10 0.00 -0.71 0.00 0.00 33.22 31.11 1sie n MET 201 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1sie s VAL 202 N -2.39 0.20 0.35 2.03 1.01 -1.26 -5.01 120.40 115.33 1sie s VAL 202 Ca 0.56 -1.63 0.14 0.00 0.00 0.00 0.00 61.98 61.06 1sie s VAL 202 Cb -0.21 -1.31 0.34 0.00 0.00 0.00 0.00 36.38 35.21 1sie s VAL 202 CO 0.68 -0.90 1.70 -0.55 0.00 0.00 0.00 175.10 176.03 1sie h ASN 203 N 3.37 0.55 -0.69 3.32 -1.07 -1.96 0.51 115.58 119.61 1sie h ASN 203 Ca -0.34 0.15 0.09 0.00 0.07 0.00 0.00 56.30 56.28 1sie h ASN 203 Cb 1.15 0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 37.41 1sie h ASN 203 CO 0.61 -0.01 0.33 0.11 0.07 0.00 0.00 177.43 178.54 1sie h LYS 204 N 0.42 0.55 -1.00 4.14 1.57 -1.95 0.43 116.57 120.72 1sie h LYS 204 Ca 0.69 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.48 1sie h LYS 204 Cb 1.54 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.67 1sie h LYS 204 CO -0.49 0.36 0.65 -0.44 -0.57 0.00 0.00 179.45 178.96 1sie h ASP 205 N 0.57 1.07 0.00 0.86 5.19 -0.25 0.49 116.42 124.34 1sie h ASP 205 Ca 0.34 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1sie h ASP 205 Cb 0.37 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1sie h ASP 205 CO -0.27 0.71 0.06 1.67 -3.12 0.00 0.00 179.24 178.28 1sie n GLN 206 N -4.47 0.00 0.00 3.56 7.27 0.15 -2.50 117.38 121.39 1sie n GLN 206 Ca 0.14 0.27 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1sie n GLN 206 Cb 0.14 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.23 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 -1.24 0.00 0.00 1.69 0.24 0.42 -4.54 118.33 114.90 1sie n VAL 207 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1sie n VAL 207 Cb 0.06 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 1sie n VAL 207 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1sie n LEU 208 N 0.00 0.00 -4.37 1.34 0.00 0.14 -5.04 117.00 109.07 1sie n LEU 208 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.62 1sie n LEU 208 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 1sie n LEU 208 CO 0.00 0.00 -0.19 0.21 0.00 0.00 0.00 177.39 177.41 1sie s ASN 209 N 0.00 5.59 0.20 1.96 2.47 -1.18 -4.66 114.94 119.32 1sie s ASN 209 Ca 0.00 -0.92 0.12 0.00 0.42 0.00 0.00 52.86 52.49 1sie s ASN 209 Cb 0.00 -1.98 0.67 0.00 -1.45 0.00 0.00 41.25 38.49 1sie s ASN 209 CO 0.00 -0.33 1.36 -2.65 -3.72 0.00 0.00 177.10 171.76 1sie n PRO 210 N 4.96 0.08 0.01 0.43 -0.02 -1.26 -0.24 135.00 138.96 1sie n PRO 210 Ca -0.12 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.72 1sie n PRO 210 Cb 0.46 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 1sie n PRO 210 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1sie h ILE 211 N 0.00 0.68 0.00 4.25 5.03 -1.96 -3.40 117.51 122.11 1sie h ILE 211 Ca 0.00 -2.40 -0.58 0.00 -0.12 0.00 0.00 64.86 61.76 1sie h ILE 211 Cb 0.08 2.52 0.04 0.00 -3.03 0.00 0.00 36.82 36.43 1sie h ILE 211 CO 0.00 0.86 2.40 -1.20 -0.68 0.00 0.00 178.15 179.53 1sie n SER 212 N -3.44 3.14 -4.31 1.72 7.64 0.67 -4.78 113.62 114.26 1sie n SER 212 Ca -0.30 -2.59 -0.18 0.00 1.01 0.00 0.00 58.87 56.82 1sie n SER 212 Cb 1.05 -1.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 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 4.55 1.23 0.00 1.43 1.02 -1.26 0.62 119.74 127.33 1sie s LYS 213 Ca 0.52 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 55.00 1sie s LYS 213 Cb 0.13 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 1sie s LYS 213 CO 0.07 0.16 0.00 0.00 -0.92 0.00 0.00 175.35 174.67 1sie n ALA 214 N -0.21 0.00 -2.43 5.17 0.00 0.41 -4.94 120.51 118.51 1sie n ALA 214 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 1sie n ALA 214 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 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 0.34 1.68 0.18 0.00 -0.14 -1.26 -2.03 119.74 118.51 1sie s LYS 215 Ca 0.00 -1.96 0.10 0.00 -1.36 0.00 0.00 55.97 52.75 1sie s LYS 215 Cb 0.00 -0.60 -0.08 0.00 -1.68 0.00 0.00 37.83 35.47 1sie s LYS 215 CO 0.00 -0.32 1.35 -0.07 -0.76 0.00 0.00 175.35 175.55 1sie h LEU 216 N 2.08 0.00 0.00 3.17 3.38 -1.83 -3.43 115.31 118.68 1sie h LEU 216 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1sie h LEU 216 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1sie h LEU 216 CO 0.62 0.82 0.00 -0.90 0.09 0.00 0.00 178.44 179.07 1sie n ASP 217 N -3.33 0.00 0.00 -0.43 5.68 -1.26 -3.30 116.55 113.91 1sie n ASP 217 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1sie n ASP 217 Cb 0.85 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1sie n ASP 217 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sie n LYS 218 N 0.00 0.00 0.00 0.11 4.01 -1.26 -5.12 118.16 115.90 1sie n LYS 218 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1sie n LYS 218 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1sie n LYS 218 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1sie n ASP 219 N 0.00 0.00 -2.28 4.39 -0.08 -1.21 -4.94 116.55 112.44 1sie n ASP 219 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 1sie n ASP 219 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1sie n ASP 219 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sie n GLY 220 N -1.23 -0.35 0.00 0.27 0.00 0.12 -4.48 105.19 99.51 1sie n GLY 220 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.44 0.23 -3.14 1.61 1.56 -1.26 -4.91 117.12 108.77 1sie n MET 221 Ca -0.06 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.95 1sie n MET 221 Cb 0.49 -0.48 -0.07 0.00 2.15 0.00 0.00 33.22 35.31 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 -0.96 3.13 0.51 1.12 2.02 -1.26 -1.96 117.35 119.95 1sie s TYR 222 Ca 0.00 0.18 -0.21 0.00 -0.37 0.00 0.00 57.07 56.67 1sie s TYR 222 Cb 0.00 -3.15 -0.06 0.00 -0.40 0.00 0.00 41.96 38.35 1sie s TYR 222 CO 0.00 -0.68 1.16 -1.25 -1.57 0.00 0.00 175.55 173.21 1sie s PRO 223 N 2.66 3.51 0.25 -1.71 0.04 -1.26 0.30 135.00 138.79 1sie s PRO 223 Ca 0.22 1.72 0.14 0.00 0.04 0.00 0.00 61.00 63.12 1sie s PRO 223 Cb -0.15 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1sie s PRO 223 CO 0.16 -0.75 1.42 0.28 0.04 0.00 0.00 177.00 178.15 1sie h VAL 224 N 1.49 1.02 0.00 -0.36 2.07 -1.25 -2.93 116.25 116.29 1sie h VAL 224 Ca -0.50 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.60 1sie h VAL 224 Cb 1.26 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1sie h VAL 224 CO 0.58 0.58 0.06 1.21 0.02 0.00 0.00 177.57 180.02 1sie n GLU 225 N -3.25 0.13 -0.00 1.57 2.13 -1.26 -3.81 120.64 116.14 1sie n GLU 225 Ca 0.02 0.63 -0.04 0.00 0.66 0.00 0.00 57.16 58.42 1sie n GLU 225 Cb 0.77 -2.00 -0.01 0.00 0.27 0.00 0.00 31.44 30.47 1sie n GLU 225 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1sie n ILE 226 N -2.23 1.00 -3.52 6.31 5.41 -1.14 -4.66 119.36 120.53 1sie n ILE 226 Ca -0.01 0.18 -0.38 0.00 1.00 0.00 0.00 62.75 63.54 1sie n ILE 226 Cb 0.09 -1.73 -0.06 0.00 -0.71 0.00 0.00 39.64 37.24 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 -2.21 3.72 0.04 1.39 0.52 -1.12 -1.58 118.94 119.70 1sie s TRP 227 Ca -0.09 0.98 0.02 0.00 0.02 0.00 0.00 56.10 57.03 1sie s TRP 227 Cb 0.02 -2.27 -0.02 0.00 -1.15 0.00 0.00 33.47 30.04 1sie s TRP 227 CO 0.12 0.65 -0.07 -1.01 0.02 0.00 0.00 176.95 176.66 1sie s HIS 228 N -1.08 0.59 -0.11 -1.98 3.76 0.48 -4.76 115.29 112.19 1sie s HIS 228 Ca 0.23 -0.54 -0.33 0.00 -0.15 0.00 0.00 55.06 54.27 1sie s HIS 228 Cb -0.16 -0.36 -0.11 0.00 1.11 0.00 0.00 32.58 33.06 1sie s HIS 228 CO 0.13 -0.12 1.96 -0.35 -0.85 0.00 0.00 174.74 175.51 1sie n PRO 229 N 1.38 2.15 -3.41 8.40 -0.04 -1.26 0.52 135.00 142.73 1sie n PRO 229 Ca -0.22 0.76 -0.37 0.00 -0.04 0.00 0.00 63.50 63.62 1sie n PRO 229 Cb 0.55 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.21 1sie n PRO 229 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1sie s ASP 230 N 4.87 6.52 -1.18 3.54 2.15 -0.76 -4.65 116.67 127.15 1sie s ASP 230 Ca 0.95 0.62 -0.21 0.00 0.43 0.00 0.00 52.55 54.33 1sie s ASP 230 Cb -0.64 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 39.75 1sie s ASP 230 CO 0.49 0.01 1.78 -2.16 -0.17 0.00 0.00 175.17 175.12 1sie s PRO 231 N 0.79 3.31 0.50 4.34 0.04 -1.26 -4.64 135.00 138.08 1sie s PRO 231 Ca 0.21 -1.44 -0.23 0.00 0.04 0.00 0.00 61.00 59.58 1sie s PRO 231 Cb -0.14 -5.37 -0.06 0.00 0.04 0.00 0.00 34.50 28.96 1sie s PRO 231 CO 0.07 -2.92 1.32 0.00 0.04 0.00 0.00 177.00 175.51 1sie s ALA 232 N 7.10 2.94 0.21 8.56 0.00 -1.26 -4.82 121.76 134.48 1sie s ALA 232 Ca 0.59 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1sie s ALA 232 Cb 0.01 -3.52 0.49 0.00 0.00 0.00 0.00 23.12 20.10 1sie s ALA 232 CO 0.06 -1.15 1.06 0.36 0.00 0.00 0.00 175.76 176.09 1sie n LYS 233 N -0.72 -0.05 -4.69 0.00 2.85 -1.26 -4.36 118.16 109.93 1sie n LYS 233 Ca 0.09 1.02 -0.25 0.00 -1.05 0.00 0.00 58.31 58.11 1sie n LYS 233 Cb 0.45 -1.60 -0.14 0.00 -0.65 0.00 0.00 35.03 33.09 1sie n LYS 233 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1sie s ASN 234 N -5.03 2.21 -0.17 -5.58 0.02 -1.26 -5.17 114.94 99.96 1sie s ASN 234 Ca -0.09 -0.43 -0.15 0.00 -1.02 0.00 0.00 52.86 51.17 1sie s ASN 234 Cb 0.20 -0.20 0.05 0.00 0.02 0.00 0.00 41.25 41.31 1sie s ASN 234 CO 0.53 0.17 0.46 -0.70 0.02 0.00 0.00 177.10 177.57 1sie s GLU 235 N -0.87 0.51 -0.23 -0.60 2.56 -1.26 -5.03 118.70 113.78 1sie s GLU 235 Ca 0.06 0.68 0.13 0.00 0.00 0.00 0.00 54.97 55.85 1sie s GLU 235 Cb -0.08 0.20 0.50 0.00 2.00 0.00 0.00 34.13 36.75 1sie s GLU 235 CO 0.01 -0.09 1.43 -1.71 -0.56 0.00 0.00 175.26 174.34 1sie n ASN 236 N 3.17 3.14 -4.15 -1.70 5.15 -1.26 -4.98 115.26 114.61 1sie n ASN 236 Ca -0.16 -3.37 -0.18 0.00 -0.60 0.00 0.00 54.58 50.27 1sie n ASN 236 Cb 0.57 -0.58 -0.12 0.00 -0.53 0.00 0.00 39.78 39.11 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 -3.03 1.07 -0.20 -0.44 2.01 -1.26 -1.81 115.64 111.97 1sie s THR 237 Ca 0.43 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1sie s THR 237 Cb 0.37 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1sie s THR 237 CO 0.04 -0.17 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.66 1sie s ARG 238 N -1.54 3.53 0.23 4.92 1.81 -0.52 -4.95 118.95 122.44 1sie s ARG 238 Ca -0.01 -0.56 0.08 0.00 -1.72 0.00 0.00 55.73 53.51 1sie s ARG 238 Cb -0.09 -3.03 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 1sie s ARG 238 CO 0.02 -0.03 -0.13 1.52 -0.68 0.00 0.00 175.30 175.99 1sie s TYR 239 N 1.09 1.83 -0.11 -0.53 -0.85 -1.26 -1.24 117.35 116.28 1sie s TYR 239 Ca 0.02 -0.57 -0.30 0.00 -0.52 0.00 0.00 57.07 55.69 1sie s TYR 239 Cb -0.14 -0.89 0.11 0.00 0.38 0.00 0.00 41.96 41.42 1sie s TYR 239 CO 0.01 0.38 0.90 -0.06 -1.52 0.00 0.00 175.55 175.26 1sie s PHE 240 N -2.93 -0.45 0.00 -3.49 0.40 -0.00 -4.98 117.98 106.54 1sie s PHE 240 Ca 0.25 0.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1sie s PHE 240 Cb -0.00 0.45 0.00 0.00 0.51 0.00 0.00 43.02 43.97 1sie s PHE 240 CO 0.09 -0.44 0.00 0.41 0.70 0.00 0.00 175.22 175.98 1sie n GLY 241 N 0.69 0.92 3.23 4.36 0.00 -1.26 0.37 105.19 113.51 1sie n GLY 241 Ca -0.13 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 -0.09 0.05 1.61 2.20 0.00 -4.94 114.94 113.77 1sie s ASN 242 Ca 0.00 -0.22 0.05 0.00 -0.94 0.00 0.00 52.86 51.75 1sie s ASN 242 Cb 0.00 0.34 -0.04 0.00 -2.00 0.00 0.00 41.25 39.55 1sie s ASN 242 CO 0.00 -0.60 -0.09 -0.47 -2.94 0.00 0.00 177.10 173.00 1sie s TYR 243 N -2.52 2.79 -0.38 1.54 5.04 -1.26 -2.57 117.35 120.00 1sie s TYR 243 Ca -0.05 -0.11 0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1sie s TYR 243 Cb -0.01 -1.52 0.16 0.00 0.35 0.00 0.00 41.96 40.94 1sie s TYR 243 CO -0.03 0.38 0.35 0.99 -1.34 0.00 0.00 175.55 175.91 1sie s THR 244 N -1.10 -0.19 0.00 4.34 2.01 -0.82 -5.02 115.64 114.86 1sie s THR 244 Ca 0.19 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.86 1sie s THR 244 Cb -0.11 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1sie s THR 244 CO 0.10 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 173.93 1sie n GLY 245 N 3.98 -2.59 0.00 4.40 0.00 -1.26 -0.93 105.19 108.79 1sie n GLY 245 Ca 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 2.00 2.72 0.13 -0.02 0.00 -1.26 -4.34 105.19 104.42 1sie n GLY 246 Ca 0.00 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 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 0.18 1.61 -0.01 2.61 -2.24 -1.26 -0.58 114.28 114.59 1sie n THR 247 Ca 0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1sie n THR 247 Cb 0.00 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 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 -3.29 0.87 -1.68 4.28 -2.24 -1.26 -2.92 114.28 108.04 1sie n THR 248 Ca -0.37 -0.93 -0.50 0.00 -2.27 0.00 0.00 64.05 59.99 1sie n THR 248 Cb 1.03 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.44 0.40 -2.33 4.28 -1.04 -1.26 -4.28 114.28 109.61 1sie n THR 249 Ca 0.00 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 1sie n THR 249 Cb 0.23 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.06 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 3.20 4.47 0.52 -2.82 0.02 -1.26 -0.50 135.00 138.63 1sie s PRO 250 Ca 0.91 1.94 -0.20 0.00 0.02 0.00 0.00 61.00 63.67 1sie s PRO 250 Cb -0.77 -3.21 -0.07 0.00 0.02 0.00 0.00 34.50 30.47 1sie s PRO 250 CO 0.51 -0.10 1.08 -2.14 -0.33 0.00 0.00 177.00 176.02 1sie s PRO 251 N -0.46 3.58 0.05 5.54 0.02 -1.26 -4.96 135.00 137.51 1sie s PRO 251 Ca 0.53 1.46 -0.18 0.00 0.02 0.00 0.00 61.00 62.83 1sie s PRO 251 Cb -0.34 -2.05 0.04 0.00 0.02 0.00 0.00 34.50 32.16 1sie s PRO 251 CO 0.39 -0.63 0.41 0.14 -0.33 0.00 0.00 177.00 176.98 1sie s VAL 252 N -1.92 0.06 0.01 3.83 -7.23 -1.26 -5.15 120.40 108.73 1sie s VAL 252 Ca 0.69 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 60.11 1sie s VAL 252 Cb -0.19 -0.97 0.10 0.00 0.56 0.00 0.00 36.38 35.88 1sie s VAL 252 CO 0.24 -0.26 1.00 -0.22 -0.31 0.00 0.00 175.10 175.55 1sie s LEU 253 N -2.06 -0.24 -0.39 1.32 2.96 -1.26 -5.14 118.68 113.86 1sie s LEU 253 Ca -0.05 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1sie s LEU 253 Cb -0.01 1.89 0.06 0.00 0.50 0.00 0.00 46.19 48.63 1sie s LEU 253 CO -0.03 -0.60 0.22 -1.10 -1.32 0.00 0.00 176.35 173.52 1sie s GLN 254 N -2.98 2.66 -1.27 1.98 1.11 -1.26 -5.03 119.66 114.87 1sie s GLN 254 Ca 0.09 -1.32 -0.14 0.00 0.01 0.00 0.00 55.36 53.99 1sie s GLN 254 Cb -0.00 -3.72 0.13 0.00 -1.01 0.00 0.00 33.01 28.41 1sie s GLN 254 CO -0.05 -0.85 1.66 1.19 0.01 0.00 0.00 175.29 177.26 1sie n PHE 255 N 4.92 4.45 -3.79 0.91 3.72 -1.26 -4.63 117.46 121.78 1sie n PHE 255 Ca -0.11 -3.09 -0.13 0.00 -0.05 0.00 0.00 57.45 54.07 1sie n PHE 255 Cb 0.44 -2.31 -0.13 0.00 -0.94 0.00 0.00 39.48 36.54 1sie n PHE 255 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1sie s THR 256 N 2.26 -0.02 0.02 4.37 -1.32 -1.26 -4.91 115.64 114.79 1sie s THR 256 Ca 0.46 0.06 0.09 0.00 -1.21 0.00 0.00 61.69 61.09 1sie s THR 256 Cb 0.02 -0.25 -0.23 0.00 -1.51 0.00 0.00 72.50 70.54 1sie s THR 256 CO 0.02 0.02 0.91 -0.55 -2.21 0.00 0.00 174.62 172.81 1sie h ASN 257 N 6.36 0.04 0.04 8.08 7.08 -1.95 -3.39 115.58 131.84 1sie h ASN 257 Ca -0.31 -0.06 0.01 0.00 -3.08 0.00 0.00 56.30 52.87 1sie h ASN 257 Cb 1.18 -0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 37.39 1sie h ASN 257 CO 0.41 1.05 -0.12 0.71 -2.08 0.00 0.00 177.43 177.40 1sie h THR 258 N 0.01 0.71 -3.50 6.14 1.35 -2.00 -3.46 112.91 112.16 1sie h THR 258 Ca -0.18 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 65.01 1sie h THR 258 Cb 1.92 0.71 -0.15 0.00 -1.73 0.00 0.00 68.15 68.90 1sie h THR 258 CO 0.11 0.00 -0.69 -0.76 -0.25 0.00 0.00 175.52 173.93 1sie s LEU 259 N -10.28 3.29 0.14 3.87 2.01 -1.26 -5.11 118.68 111.33 1sie s LEU 259 Ca -0.14 -0.14 0.02 0.00 0.01 0.00 0.00 54.13 53.87 1sie s LEU 259 Cb 0.08 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 44.31 1sie s LEU 259 CO 0.66 0.25 0.28 -0.89 1.01 0.00 0.00 176.35 177.66 1sie s THR 260 N -1.09 5.33 -0.00 5.49 2.01 -1.26 -4.68 115.64 121.44 1sie s THR 260 Ca 0.20 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1sie s THR 260 Cb -0.11 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1sie s THR 260 CO 0.11 -0.06 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.89 1sie s THR 261 N -1.71 1.60 -0.31 -0.82 2.01 0.14 -4.94 115.64 111.62 1sie s THR 261 Ca 0.35 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.29 1sie s THR 261 Cb -0.11 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 1sie s THR 261 CO 0.28 0.39 0.24 -0.69 -0.69 0.00 0.00 174.62 174.16 1sie s VAL 262 N -0.54 5.28 -1.08 3.82 1.01 -1.26 0.10 120.40 127.73 1sie s VAL 262 Ca 0.08 -0.01 0.21 0.00 0.00 0.00 0.00 61.98 62.25 1sie s VAL 262 Cb -0.08 -3.65 0.21 0.00 0.00 0.00 0.00 36.38 32.86 1sie s VAL 262 CO -0.00 0.09 1.68 0.18 0.00 0.00 0.00 175.10 177.04 1sie n LEU 263 N 5.12 0.00 -4.66 3.92 4.77 0.67 -4.86 117.00 121.96 1sie n LEU 263 Ca -0.13 0.46 -0.49 0.00 -0.03 0.00 0.00 56.01 55.82 1sie n LEU 263 Cb 0.51 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1sie n LEU 263 CO 0.36 -0.13 1.21 0.18 -1.33 0.00 0.00 177.39 177.68 1sie n LEU 264 N -1.46 2.78 -4.69 2.23 4.32 -0.91 -3.76 117.00 115.50 1sie n LEU 264 Ca 0.06 1.06 -0.29 0.00 -0.02 0.00 0.00 56.01 56.82 1sie n LEU 264 Cb 0.23 -1.33 0.19 0.00 -1.62 0.00 0.00 43.42 40.89 1sie n LEU 264 CO 0.19 -0.42 0.67 1.51 -1.22 0.00 0.00 177.39 178.12 1sie s ASP 265 N 1.81 2.20 0.63 -1.43 -4.77 -1.26 -4.63 116.67 109.22 1sie s ASP 265 Ca 0.85 0.83 0.26 0.00 -3.30 0.00 0.00 52.55 51.20 1sie s ASP 265 Cb -0.78 -1.26 1.36 0.00 -1.09 0.00 0.00 42.92 41.14 1sie s ASP 265 CO 0.46 -3.35 1.77 -0.33 0.70 0.00 0.00 175.17 174.42 1sie h GLU 266 N -2.05 0.00 0.00 2.11 3.07 -1.97 0.32 114.58 116.06 1sie h GLU 266 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1sie h GLU 266 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1sie h GLU 266 CO 0.48 0.00 -0.01 0.09 -1.40 0.00 0.00 179.01 178.17 1sie n ASN 267 N -3.21 1.68 -1.65 1.42 3.02 -1.26 -5.01 115.26 110.24 1sie n ASN 267 Ca 0.04 -1.95 -0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1sie n ASN 267 Cb 0.65 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 -0.50 -0.54 0.00 7.41 0.00 0.11 -5.00 105.19 106.66 1sie n GLY 268 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.83 0.00 -4.84 1.61 0.31 -1.26 -4.80 118.33 108.53 1sie n VAL 269 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1sie n VAL 269 Cb 0.31 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 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 1.10 0.61 3.96 2.92 0.00 -1.25 -4.59 105.19 107.94 1sie n GLY 270 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 3.30 0.12 1.61 0.02 -1.15 -4.58 135.00 134.32 1sie s PRO 271 Ca 0.00 -0.59 0.08 0.00 0.02 0.00 0.00 61.00 60.51 1sie s PRO 271 Cb 0.00 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1sie s PRO 271 CO 0.00 0.09 -0.20 -0.51 -0.33 0.00 0.00 177.00 176.04 1sie s LEU 272 N -4.28 2.33 -0.50 -5.54 1.02 -1.26 0.09 118.68 110.54 1sie s LEU 272 Ca 0.42 -0.73 -0.18 0.00 0.02 0.00 0.00 54.13 53.66 1sie s LEU 272 Cb -0.10 -0.87 0.06 0.00 0.02 0.00 0.00 46.19 45.31 1sie s LEU 272 CO 0.34 0.04 0.58 0.00 0.02 0.00 0.00 176.35 177.33 1sie s LYS 274 N 2.41 4.36 0.11 0.00 1.02 0.31 -4.49 119.74 123.46 1sie s LYS 274 Ca 0.12 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.01 1sie s LYS 274 Cb -0.21 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1sie s LYS 274 CO 0.10 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 1sie n GLY 275 N 3.41 -3.00 1.00 -3.33 0.00 -1.26 -3.80 105.19 98.20 1sie n GLY 275 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.78 0.81 -4.52 1.61 -0.58 -1.26 -4.80 120.64 110.11 1sie n GLU 276 Ca -0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.40 1sie n GLU 276 Cb 0.09 -1.10 -0.11 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.01 1.75 -0.12 0.62 0.00 -1.25 0.05 107.32 109.38 1sie s GLY 277 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 1sie s GLY 277 CO 0.00 -0.72 -0.02 -2.27 0.00 0.00 0.00 173.10 170.09 1sie s LEU 278 N -1.04 3.40 -0.11 0.66 0.20 -0.41 -4.33 118.68 117.05 1sie s LEU 278 Ca 0.14 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.97 1sie s LEU 278 Cb -0.11 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.84 1sie s LEU 278 CO 0.04 0.26 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.90 1sie s TYR 279 N -0.20 2.73 0.06 5.38 1.51 0.13 0.12 117.35 127.09 1sie s TYR 279 Ca 0.04 -0.63 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 1sie s TYR 279 Cb -0.13 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1sie s TYR 279 CO 0.02 -0.18 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.61 1sie s LEU 280 N 0.14 2.68 -0.18 -1.29 1.43 -0.86 -0.86 118.68 119.74 1sie s LEU 280 Ca -0.08 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 1sie s LEU 280 Cb -0.15 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.59 1sie s LEU 280 CO 0.05 0.24 0.72 -0.44 0.23 0.00 0.00 176.35 177.15 1sie s SER 281 N -1.63 -0.69 -0.04 2.29 0.01 -0.77 -2.22 113.70 110.66 1sie s SER 281 Ca 0.16 1.10 -0.15 0.00 1.31 0.00 0.00 55.95 58.37 1sie s SER 281 Cb -0.11 1.03 0.05 0.00 0.21 0.00 0.00 66.02 67.20 1sie s SER 281 CO 0.07 -0.40 0.67 0.00 0.41 0.00 0.00 173.24 173.98 1sie s VAL 283 N -2.03 0.00 -0.42 0.00 -7.23 -0.48 -1.98 120.40 108.26 1sie s VAL 283 Ca 0.16 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.38 1sie s VAL 283 Cb -0.00 -1.00 0.18 0.00 0.56 0.00 0.00 36.38 36.12 1sie s VAL 283 CO -0.01 0.00 0.43 0.47 -0.31 0.00 0.00 175.10 175.68 1sie n ASP 284 N 1.67 -0.86 -4.71 4.85 8.00 -1.25 -2.61 116.55 121.64 1sie n ASP 284 Ca -0.13 -2.51 -0.42 0.00 0.71 0.00 0.00 54.79 52.45 1sie n ASP 284 Cb 0.56 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 1sie n ASP 284 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sie s ILE 285 N 0.02 4.88 -0.62 0.53 1.09 0.29 -2.82 121.20 124.57 1sie s ILE 285 Ca 0.33 2.01 0.22 0.00 -1.10 0.00 0.00 60.65 62.11 1sie s ILE 285 Cb 0.06 -4.30 -0.26 0.00 -1.06 0.00 0.00 42.46 36.90 1sie s ILE 285 CO -0.17 0.17 0.76 0.23 -0.10 0.00 0.00 174.94 175.83 1sie n MET 286 N 3.89 0.26 0.00 2.79 2.81 0.00 -1.08 117.12 125.79 1sie n MET 286 Ca 0.05 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 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 1.40 0.44 3.08 3.03 0.00 -1.16 -4.59 105.19 107.39 1sie n GLY 287 Ca 0.01 -1.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.39 0.46 -0.17 1.61 -2.14 -0.04 0.88 118.94 118.15 1sie s TRP 288 Ca 0.00 -0.96 -0.07 0.00 2.66 0.00 0.00 56.10 57.72 1sie s TRP 288 Cb 0.00 -0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 29.98 1sie s TRP 288 CO 0.00 -0.36 0.07 0.50 -2.66 0.00 0.00 176.95 174.51 1sie s ARG 289 N -3.54 3.89 -0.17 3.25 3.52 -1.13 -2.71 118.95 122.07 1sie s ARG 289 Ca 0.03 -0.31 -0.06 0.00 -0.13 0.00 0.00 55.73 55.27 1sie s ARG 289 Cb 0.05 -3.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 1sie s ARG 289 CO -0.09 0.36 0.01 0.08 -0.81 0.00 0.00 175.30 174.85 1sie s VAL 290 N 0.14 4.34 0.19 7.11 1.01 -1.26 -3.82 120.40 128.11 1sie s VAL 290 Ca 0.06 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 1sie s VAL 290 Cb -0.12 -2.93 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1sie s VAL 290 CO 0.00 0.48 0.87 0.42 0.00 0.00 0.00 175.10 176.87 1sie s THR 291 N 0.36 4.24 -0.75 3.92 -4.23 -0.79 -2.20 115.64 116.19 1sie s THR 291 Ca -0.01 1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 62.17 1sie s THR 291 Cb -0.13 -4.25 -0.04 0.00 1.34 0.00 0.00 72.50 69.42 1sie s THR 291 CO 0.02 0.49 1.93 -0.60 -0.54 0.00 0.00 174.62 175.91 1sie s ARG 292 N -1.03 2.55 0.00 3.99 3.00 0.01 -3.76 118.95 123.72 1sie s ARG 292 Ca 0.39 0.21 0.00 0.00 -1.00 0.00 0.00 55.73 55.33 1sie s ARG 292 Cb -0.24 -4.72 0.00 0.00 0.00 0.00 0.00 34.95 29.99 1sie s ARG 292 CO 0.29 -3.09 0.00 -1.71 0.00 0.00 0.00 175.30 170.79 1sie n ASN 293 N 13.57 0.00 -1.39 -2.12 2.85 -1.26 -4.84 115.26 122.07 1sie n ASN 293 Ca 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 1sie n ASN 293 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1sie n ASN 293 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1sie n TYR 294 N 0.00 -1.84 -1.82 1.20 4.01 -1.25 -4.94 117.16 112.53 1sie n TYR 294 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1sie n TYR 294 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1sie n TYR 294 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sie n ASP 295 N -1.92 7.67 -4.73 7.72 9.92 -1.26 -4.34 116.55 129.61 1sie n ASP 295 Ca 0.00 -3.11 -0.42 0.00 -0.53 0.00 0.00 54.79 50.73 1sie n ASP 295 Cb 0.00 -1.34 -0.03 0.00 -0.64 0.00 0.00 41.12 39.11 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 -1.18 3.49 -0.05 2.53 1.01 -1.26 -4.92 120.40 120.02 1sie s VAL 296 Ca 0.56 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1sie s VAL 296 Cb 0.23 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1sie s VAL 296 CO -0.12 0.13 -0.02 1.41 0.00 0.00 0.00 175.10 176.51 1sie n HIS 297 N 3.25 0.00 0.00 5.22 8.25 -1.26 -1.89 115.22 128.79 1sie n HIS 297 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1sie n HIS 297 Cb 0.44 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1sie n HIS 297 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1sie n HIS 298 N -2.40 0.00 -0.73 4.41 1.44 -1.25 -3.25 115.22 113.45 1sie n HIS 298 Ca -0.09 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.30 1sie n HIS 298 Cb 0.64 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.90 1sie n HIS 298 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1sie n TRP 299 N 0.17 -0.85 -4.86 -1.40 8.01 -1.26 -2.82 117.44 114.42 1sie n TRP 299 Ca 0.00 0.24 -0.25 0.00 -1.31 0.00 0.00 57.50 56.17 1sie n TRP 299 Cb 0.00 -1.81 -0.15 0.00 -2.01 0.00 0.00 31.31 27.34 1sie n TRP 299 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 1sie s ARG 300 N -3.92 1.49 0.54 -0.99 3.52 0.26 -0.94 118.95 118.90 1sie s ARG 300 Ca 0.60 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1sie s ARG 300 Cb -0.21 -1.42 0.03 0.00 -1.56 0.00 0.00 34.95 31.78 1sie s ARG 300 CO 0.65 0.38 0.29 0.20 -0.81 0.00 0.00 175.30 176.00 1sie s GLY 301 N -0.39 2.57 0.01 8.12 0.00 -1.23 -0.82 107.32 115.59 1sie s GLY 301 Ca 0.06 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.69 1sie s GLY 301 CO -0.00 -2.02 0.24 1.08 0.00 0.00 0.00 173.10 172.40 1sie s LEU 302 N -4.17 1.14 0.44 0.66 1.43 -1.13 -4.87 118.68 112.18 1sie s LEU 302 Ca 0.25 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1sie s LEU 302 Cb -0.01 1.08 -0.04 0.00 0.03 0.00 0.00 46.19 47.24 1sie s LEU 302 CO 0.16 -0.49 0.74 -2.16 0.23 0.00 0.00 176.35 174.83 1sie s PRO 303 N -1.90 3.59 0.03 1.29 0.04 -1.26 -4.22 135.00 132.57 1sie s PRO 303 Ca -0.10 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.22 1sie s PRO 303 Cb -0.04 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1sie s PRO 303 CO 0.00 -0.11 -0.26 0.50 0.04 0.00 0.00 177.00 177.18 1sie s ARG 304 N -4.43 1.87 0.33 4.56 3.52 -0.46 -2.51 118.95 121.84 1sie s ARG 304 Ca 0.47 -1.07 0.05 0.00 -0.13 0.00 0.00 55.73 55.05 1sie s ARG 304 Cb -0.10 -2.01 -0.01 0.00 -1.56 0.00 0.00 34.95 31.26 1sie s ARG 304 CO 0.40 0.52 0.48 -0.47 -0.81 0.00 0.00 175.30 175.43 1sie s TYR 305 N -0.79 3.20 -0.22 5.12 5.04 0.13 -1.01 117.35 128.82 1sie s TYR 305 Ca 0.12 -0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 54.54 1sie s TYR 305 Cb -0.10 -1.96 0.08 0.00 0.35 0.00 0.00 41.96 40.33 1sie s TYR 305 CO 0.02 0.02 0.52 -0.06 -1.34 0.00 0.00 175.55 174.71 1sie s PHE 306 N -2.20 -0.86 -0.34 4.97 0.40 0.14 -3.03 117.98 117.07 1sie s PHE 306 Ca 0.43 1.69 0.04 0.00 -0.60 0.00 0.00 56.93 58.49 1sie s PHE 306 Cb -0.09 0.44 0.10 0.00 0.51 0.00 0.00 43.02 43.98 1sie s PHE 306 CO 0.32 -0.46 0.05 0.21 0.70 0.00 0.00 175.22 176.04 1sie s LYS 307 N 1.89 1.47 -0.09 0.44 2.20 0.16 -0.46 119.74 125.35 1sie s LYS 307 Ca -0.08 -1.87 -0.15 0.00 -0.36 0.00 0.00 55.97 53.51 1sie s LYS 307 Cb -0.09 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1sie s LYS 307 CO -0.15 -0.94 0.38 0.42 -0.36 0.00 0.00 175.35 174.69 1sie s ILE 308 N 0.90 5.18 -0.24 5.43 1.09 0.25 -0.84 121.20 132.97 1sie s ILE 308 Ca 0.11 0.75 -0.04 0.00 -1.10 0.00 0.00 60.65 60.38 1sie s ILE 308 Cb -0.19 -3.70 -0.00 0.00 -1.06 0.00 0.00 42.46 37.50 1sie s ILE 308 CO -0.08 0.45 -0.02 -0.89 -0.10 0.00 0.00 174.94 174.29 1sie s THR 309 N -0.10 3.40 0.10 2.92 2.01 -0.65 -1.00 115.64 122.32 1sie s THR 309 Ca 0.22 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.65 1sie s THR 309 Cb -0.15 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1sie s THR 309 CO 0.09 0.34 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.79 1sie s LEU 310 N 1.46 2.45 0.32 4.42 0.05 -0.15 -0.53 118.68 126.70 1sie s LEU 310 Ca 0.04 -0.88 0.03 0.00 0.05 0.00 0.00 54.13 53.37 1sie s LEU 310 Cb -0.15 -0.24 -0.05 0.00 -2.05 0.00 0.00 46.19 43.70 1sie s LEU 310 CO -0.02 -0.32 0.10 0.00 -0.55 0.00 0.00 176.35 175.55 1sie s ARG 311 N -3.16 1.64 -0.65 1.48 1.70 0.25 -1.41 118.95 118.79 1sie s ARG 311 Ca 0.08 -1.93 -0.21 0.00 -0.47 0.00 0.00 55.73 53.20 1sie s ARG 311 Cb -0.00 -0.54 0.08 0.00 -0.57 0.00 0.00 34.95 33.92 1sie s ARG 311 CO -0.01 -0.32 0.91 0.15 -1.08 0.00 0.00 175.30 174.95 1sie s LYS 312 N -3.88 3.11 -0.07 3.89 1.02 -1.26 -0.69 119.74 121.86 1sie s LYS 312 Ca 0.34 -1.00 0.03 0.00 0.02 0.00 0.00 55.97 55.36 1sie s LYS 312 Cb 0.07 -4.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.09 1sie s LYS 312 CO 0.15 -1.75 -0.14 0.50 -0.92 0.00 0.00 175.35 173.19 1sie s ARG 313 N 3.66 2.72 0.06 1.68 3.52 0.18 -4.85 118.95 125.92 1sie s ARG 313 Ca 0.20 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1sie s ARG 313 Cb -0.18 -2.43 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1sie s ARG 313 CO 0.08 0.51 1.06 -1.58 -0.81 0.00 0.00 175.30 174.56 1sie s TRP 314 N -0.44 3.61 0.28 5.12 0.23 -1.26 0.42 118.94 126.91 1sie s TRP 314 Ca 0.05 1.59 0.02 0.00 -2.03 0.00 0.00 56.10 55.73 1sie s TRP 314 Cb -0.12 -3.22 -0.05 0.00 0.03 0.00 0.00 33.47 30.12 1sie s TRP 314 CO 0.02 -0.42 0.11 0.14 0.96 0.00 0.00 176.95 177.76 1sie s VAL 315 N 0.69 0.55 0.01 4.03 -7.23 0.92 -4.96 120.40 114.41 1sie s VAL 315 Ca 0.53 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1sie s VAL 315 Cb -0.25 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1sie s VAL 315 CO 0.30 0.00 0.30 -0.75 -0.31 0.00 0.00 175.10 174.64 1sie s LYS 316 N -3.95 3.66 -0.06 4.82 2.47 -1.26 -1.13 119.74 124.28 1sie s LYS 316 Ca 0.36 0.05 -0.30 0.00 -1.56 0.00 0.00 55.97 54.53 1sie s LYS 316 Cb 0.07 -3.10 -0.03 0.00 -1.46 0.00 0.00 37.83 33.31 1sie s LYS 316 CO 0.15 0.65 1.21 1.21 0.16 0.00 0.00 175.35 178.73 1sie s ASN 317 N -1.52 7.04 -0.32 1.43 3.04 0.36 -4.81 114.94 120.16 1sie s ASN 317 Ca 0.26 1.82 0.07 0.00 0.04 0.00 0.00 52.86 55.05 1sie s ASN 317 Cb -0.14 -2.56 0.65 0.00 -1.54 0.00 0.00 41.25 37.66 1sie s ASN 317 CO 0.14 -0.60 1.73 -0.81 -3.04 0.00 0.00 177.10 174.52 1sie n PRO 318 N 5.30 3.05 -3.36 0.43 -0.04 -1.26 -4.93 135.00 134.19 1sie n PRO 318 Ca 0.11 -2.71 -0.13 0.00 -0.04 0.00 0.00 63.50 60.73 1sie n PRO 318 Cb 0.46 -2.10 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1sie n PRO 318 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sie n TYR 319 N -0.35 -0.19 -4.05 0.54 4.01 -1.26 -5.12 117.16 110.74 1sie n TYR 319 Ca 0.42 -1.59 -0.32 0.00 -0.16 0.00 0.00 57.90 56.25 1sie n TYR 319 Cb 1.36 0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 40.32 1sie n TYR 319 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1sie s PRO 320 N -2.86 2.30 0.00 -0.72 0.02 -1.26 -5.05 135.00 127.44 1sie s PRO 320 Ca 0.18 -1.08 0.00 0.00 0.02 0.00 0.00 61.00 60.12 1sie s PRO 320 Cb 0.01 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.85 1sie s PRO 320 CO 0.13 -0.46 0.00 -1.33 -0.33 0.00 0.00 177.00 175.01 1sie n MET 321 N 4.55 0.00 0.00 5.54 2.81 -1.26 -1.20 117.12 127.56 1sie n MET 321 Ca -0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 1sie n MET 321 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 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 -0.38 0.00 -0.12 3.04 0.00 -1.26 0.14 120.51 121.93 1sie n ALA 322 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1sie n ALA 322 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1sie n ALA 322 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sie h SER 323 N 0.00 0.08 0.21 0.00 4.64 -1.58 0.55 113.55 117.45 1sie h SER 323 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1sie h SER 323 Cb 0.00 0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1sie h SER 323 CO 0.00 0.08 -0.06 0.17 -0.87 0.00 0.00 176.83 176.15 1sie h LEU 324 N 0.26 0.00 0.41 5.97 8.10 0.25 0.45 115.31 130.74 1sie h LEU 324 Ca 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.16 1sie h LEU 324 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.43 1sie h LEU 324 CO -0.22 0.06 -0.19 0.40 -4.11 0.00 0.00 178.44 174.37 1sie h ILE 325 N 0.00 0.47 -0.77 0.15 2.04 0.35 -1.94 117.51 117.80 1sie h ILE 325 Ca -0.00 -0.56 0.14 0.00 1.00 0.00 0.00 64.86 65.43 1sie h ILE 325 Cb 0.18 0.69 -0.14 0.00 -0.74 0.00 0.00 36.82 36.81 1sie h ILE 325 CO 0.01 0.08 -0.31 0.28 0.00 0.00 0.00 178.15 178.21 1sie h SER 326 N -0.92 -1.13 0.21 1.72 0.02 0.93 0.41 113.55 114.79 1sie h SER 326 Ca -0.06 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1sie h SER 326 Cb 0.55 0.61 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 1sie h SER 326 CO 0.09 -0.29 -0.40 0.77 -1.14 0.00 0.00 176.83 175.86 1sie h SER 327 N -0.07 -1.15 -0.86 3.07 4.64 -0.14 0.28 113.55 119.32 1sie h SER 327 Ca 0.31 0.11 0.08 0.00 -0.47 0.00 0.00 61.79 61.82 1sie h SER 327 Cb 0.58 0.41 -0.10 0.00 -0.31 0.00 0.00 62.40 62.97 1sie h SER 327 CO -0.81 -0.46 -0.51 -0.11 -0.87 0.00 0.00 176.83 174.07 1sie n LEU 328 N -4.74 -0.91 -0.19 5.97 7.94 0.10 0.22 117.00 125.39 1sie n LEU 328 Ca -0.08 1.58 -0.01 0.00 -1.11 0.00 0.00 56.01 56.40 1sie n LEU 328 Cb 0.33 -0.22 0.07 0.00 0.53 0.00 0.00 43.42 44.12 1sie n LEU 328 CO 0.15 -1.27 0.78 -0.26 -1.11 0.00 0.00 177.39 175.68 1sie h PHE 329 N 0.00 -0.20 -0.38 1.96 0.04 0.55 0.28 116.94 119.19 1sie h PHE 329 Ca 0.14 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1sie h PHE 329 Cb 0.35 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 1sie h PHE 329 CO -0.93 -0.21 0.24 -0.91 -0.60 0.00 0.00 178.31 175.90 1sie h ASN 330 N 0.04 0.42 -0.51 2.17 2.35 0.63 0.22 115.58 120.90 1sie h ASN 330 Ca 0.29 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 1sie h ASN 330 Cb 0.46 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1sie h ASN 330 CO -0.56 0.30 0.16 0.78 -1.65 0.00 0.00 177.43 176.46 1sie h ASN 331 N 0.50 0.79 -0.11 5.81 2.35 0.92 -2.73 115.58 123.12 1sie h ASN 331 Ca 0.14 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1sie h ASN 331 Cb -0.04 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1sie h ASN 331 CO -0.04 0.76 -0.07 -0.03 -1.65 0.00 0.00 177.43 176.40 1sie h MET 332 N 0.82 0.23 -6.61 0.81 4.05 0.44 -3.44 114.93 111.24 1sie h MET 332 Ca 0.18 -0.11 -0.52 0.00 -0.28 0.00 0.00 59.70 58.98 1sie h MET 332 Cb 0.27 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1sie h MET 332 CO -0.01 0.60 0.41 -0.51 0.23 0.00 0.00 176.91 177.64 1sie s LEU 333 N -9.25 4.50 0.97 3.39 2.01 0.67 -5.02 118.68 115.96 1sie s LEU 333 Ca -0.15 1.92 -0.11 0.00 0.01 0.00 0.00 54.13 55.80 1sie s LEU 333 Cb 0.04 -3.59 0.17 0.00 0.01 0.00 0.00 46.19 42.82 1sie s LEU 333 CO 0.72 -0.12 1.12 -2.84 1.01 0.00 0.00 176.35 176.24 1sie s PRO 334 N -0.16 0.61 -0.02 1.29 0.02 -1.26 -4.84 135.00 130.65 1sie s PRO 334 Ca 0.48 1.39 -0.07 0.00 0.02 0.00 0.00 61.00 62.82 1sie s PRO 334 Cb -0.26 -1.69 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 1sie s PRO 334 CO 0.32 -2.86 0.25 -1.14 -0.33 0.00 0.00 177.00 173.24 1sie s GLN 335 N -4.61 3.56 0.25 5.54 2.00 -1.26 -5.10 119.66 120.04 1sie s GLN 335 Ca 0.67 -0.08 -0.15 0.00 -2.00 0.00 0.00 55.36 53.80 1sie s GLN 335 Cb -0.23 -3.11 0.00 0.00 0.80 0.00 0.00 33.01 30.47 1sie s GLN 335 CO 0.59 0.68 0.52 0.14 -0.50 0.00 0.00 175.29 176.72 1sie s VAL 336 N -1.25 0.00 -0.98 1.34 -7.23 -1.26 -5.10 120.40 105.93 1sie s VAL 336 Ca 0.25 -1.29 0.28 0.00 -1.81 0.00 0.00 61.98 59.42 1sie s VAL 336 Cb -0.13 -2.11 0.24 0.00 0.56 0.00 0.00 36.38 34.94 1sie s VAL 336 CO 0.14 -0.02 1.90 1.67 -0.31 0.00 0.00 175.10 178.49 1sie n GLN 337 N -0.39 0.02 0.00 4.82 -0.06 -1.26 -5.13 117.38 115.38 1sie n GLN 337 Ca -0.03 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1sie n GLN 337 Cb 0.61 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 25.27 1sie n GLN 337 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sie n GLY 338 N 1.43 1.03 3.74 1.69 0.00 -1.26 -5.01 105.19 106.81 1sie n GLY 338 Ca 0.07 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1sie n GLY 338 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sie s GLN 339 N -1.68 2.69 -0.43 1.61 -0.21 -1.26 -4.77 119.66 115.61 1sie s GLN 339 Ca 0.00 2.00 -0.33 0.00 0.02 0.00 0.00 55.36 57.04 1sie s GLN 339 Cb 0.00 -1.88 -0.12 0.00 1.00 0.00 0.00 33.01 32.02 1sie s GLN 339 CO 0.00 -1.47 2.28 -0.35 -2.12 0.00 0.00 175.29 173.63 1sie n PRO 340 N -1.79 0.98 -2.01 2.91 -0.04 -1.26 -4.81 135.00 128.98 1sie n PRO 340 Ca 0.15 0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 63.55 1sie n PRO 340 Cb 0.48 -2.52 0.03 0.00 -0.04 0.00 0.00 33.50 31.45 1sie n PRO 340 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1sie n MET 341 N 8.37 3.30 0.00 0.54 2.81 -1.26 -0.68 117.12 130.19 1sie n MET 341 Ca 0.43 -4.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.29 1sie n MET 341 Cb 0.26 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.50 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 -0.67 -0.13 0.00 0.03 0.00 -1.26 -4.91 120.64 113.71 1sie n GLU 342 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.63 1sie n GLU 342 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.18 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 -1.04 0.66 0.01 8.31 0.00 -1.26 -4.02 105.19 107.85 1sie n GLY 343 Ca 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.54 1sie n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sie n GLU 344 N 0.00 0.61 -0.82 1.61 -0.58 -1.26 -4.50 120.64 115.69 1sie n GLU 344 Ca 0.00 -0.15 0.03 0.00 -0.42 0.00 0.00 57.16 56.62 1sie n GLU 344 Cb 0.00 -1.42 0.18 0.00 -0.57 0.00 0.00 31.44 29.63 1sie n GLU 344 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sie n ASN 345 N -2.06 1.98 -4.70 1.62 3.02 -1.26 -5.04 115.26 108.81 1sie n ASN 345 Ca -0.03 -3.74 -0.63 0.00 -0.03 0.00 0.00 54.58 50.15 1sie n ASN 345 Cb 0.45 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 1sie n ASN 345 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sie n THR 346 N -0.96 0.12 0.72 3.41 -1.04 -1.26 -4.70 114.28 110.57 1sie n THR 346 Ca 0.20 -0.03 0.01 0.00 -2.04 0.00 0.00 64.05 62.20 1sie n THR 346 Cb 0.75 -0.79 0.06 0.00 -1.82 0.00 0.00 70.33 68.53 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 4.82 1.61 -3.49 -2.82 6.02 0.14 -4.57 117.38 119.09 1sie n GLN 347 Ca 0.31 -0.49 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 1sie n GLN 347 Cb 0.02 -1.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.56 1sie n GLN 347 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1sie s VAL 348 N -1.28 5.24 -0.19 5.09 1.01 -1.26 -4.97 120.40 124.03 1sie s VAL 348 Ca 0.08 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1sie s VAL 348 Cb 0.06 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.65 1sie s VAL 348 CO 0.03 0.20 0.23 -0.08 0.00 0.00 0.00 175.10 175.48 1sie h GLU 349 N 8.26 0.00 -4.32 2.72 4.81 -2.00 -3.50 114.58 120.54 1sie h GLU 349 Ca -0.33 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.67 1sie h GLU 349 Cb 1.18 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 1sie h GLU 349 CO 0.60 0.88 -0.42 -1.21 -0.73 0.00 0.00 179.01 178.13 1sie s GLU 350 N -2.32 1.45 -0.14 1.92 0.41 -1.26 -5.16 118.70 113.60 1sie s GLU 350 Ca -0.26 -1.59 -0.15 0.00 -0.41 0.00 0.00 54.97 52.56 1sie s GLU 350 Cb 0.04 0.35 0.04 0.00 -1.78 0.00 0.00 34.13 32.78 1sie s GLU 350 CO 0.55 -0.54 0.41 0.08 -0.49 0.00 0.00 175.26 175.28 1sie s VAL 351 N -3.89 0.01 -0.01 2.63 1.01 -1.26 -5.15 120.40 113.73 1sie s VAL 351 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1sie s VAL 351 Cb 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1sie s VAL 351 CO 0.14 -0.02 0.05 -0.13 0.00 0.00 0.00 175.10 175.14 1sie s ARG 352 N 0.05 0.11 -0.17 2.72 1.81 -1.26 -5.11 118.95 117.11 1sie s ARG 352 Ca -0.01 -0.03 0.01 0.00 -1.72 0.00 0.00 55.73 53.97 1sie s ARG 352 Cb -0.03 0.05 0.03 0.00 -0.45 0.00 0.00 34.95 34.55 1sie s ARG 352 CO 0.01 -0.02 -0.14 0.08 -0.68 0.00 0.00 175.30 174.55 1sie s VAL 353 N -0.22 1.69 0.12 3.52 1.01 -1.26 -5.09 120.40 120.17 1sie s VAL 353 Ca -0.03 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1sie s VAL 353 Cb -0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1sie s VAL 353 CO 0.00 0.39 -0.14 -0.31 0.00 0.00 0.00 175.10 175.05 1sie s TYR 354 N 1.42 2.62 0.00 5.22 2.02 -1.26 -5.09 117.35 122.28 1sie s TYR 354 Ca 0.03 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1sie s TYR 354 Cb -0.14 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1sie s TYR 354 CO -0.10 0.42 0.00 -3.47 -1.57 0.00 0.00 175.55 170.83 1sie n ASP 355 N 0.63 0.00 0.00 2.29 2.03 -1.26 -5.36 116.55 114.89 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 0.53 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1sie n ASP 355 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89