#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sie s PRO 20 N 3.72 -0.24 -0.35 0.00 0.04 -1.26 -5.04 135.00 131.88 1sie s PRO 20 Ca 0.00 0.42 -0.00 0.00 0.04 0.00 0.00 61.00 61.46 1sie s PRO 20 Cb 0.00 -1.67 0.14 0.00 0.04 0.00 0.00 34.50 33.01 1sie s PRO 20 CO 0.00 -3.16 0.22 -0.98 0.04 0.00 0.00 177.00 173.13 1sie s ARG 21 N -4.98 0.51 1.05 4.56 1.70 -1.26 -5.14 118.95 115.40 1sie s ARG 21 Ca 0.67 -1.16 -0.20 0.00 -0.47 0.00 0.00 55.73 54.57 1sie s ARG 21 Cb -0.18 -1.20 -0.01 0.00 -0.57 0.00 0.00 34.95 33.00 1sie s ARG 21 CO 0.58 -1.19 -0.38 -2.30 -1.08 0.00 0.00 175.30 170.94 1sie n PRO 22 N 4.22 -0.81 -2.64 3.89 -0.02 -1.26 -4.88 135.00 133.49 1sie n PRO 22 Ca 0.10 -0.22 -0.35 0.00 -2.02 0.00 0.00 63.50 61.01 1sie n PRO 22 Cb 0.39 -1.49 -0.05 0.00 -0.02 0.00 0.00 33.50 32.33 1sie n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sie s ALA 23 N -2.18 3.04 0.10 3.55 0.00 -1.26 -4.99 121.76 120.01 1sie s ALA 23 Ca 0.50 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1sie s ALA 23 Cb -0.09 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1sie s ALA 23 CO 0.68 -0.10 1.03 -2.14 0.00 0.00 0.00 175.76 175.23 1sie s PRO 24 N -2.76 4.61 0.11 0.00 0.02 -1.26 -5.03 135.00 130.69 1sie s PRO 24 Ca 0.60 1.55 0.03 0.00 0.02 0.00 0.00 61.00 63.20 1sie s PRO 24 Cb -0.17 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 1sie s PRO 24 CO 0.22 0.06 -0.08 0.08 -0.33 0.00 0.00 177.00 176.95 1sie s VAL 25 N 0.30 0.84 0.11 3.83 1.01 -1.26 -5.09 120.40 120.13 1sie s VAL 25 Ca 0.50 -1.89 -0.31 0.00 0.00 0.00 0.00 61.98 60.28 1sie s VAL 25 Cb -0.25 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 1sie s VAL 25 CO 0.31 -0.78 1.41 -2.16 0.00 0.00 0.00 175.10 173.88 1sie s PRO 26 N -3.58 4.30 0.06 2.72 0.04 -1.26 -4.94 135.00 132.35 1sie s PRO 26 Ca 0.11 2.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1sie s PRO 26 Cb 0.03 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1sie s PRO 26 CO -0.03 -0.47 1.16 0.21 0.04 0.00 0.00 177.00 177.92 1sie s LYS 27 N 1.27 4.46 0.07 4.56 2.20 -1.26 -5.01 119.74 126.03 1sie s LYS 27 Ca 0.65 1.72 -0.23 0.00 -0.36 0.00 0.00 55.97 57.75 1sie s LYS 27 Cb -0.37 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 1sie s LYS 27 CO 0.30 -0.20 0.70 -1.17 -0.36 0.00 0.00 175.35 174.62 1sie s LEU 28 N 0.92 4.49 -0.21 5.43 0.20 -1.26 -4.97 118.68 123.28 1sie s LEU 28 Ca 0.57 1.41 -0.20 0.00 0.69 0.00 0.00 54.13 56.60 1sie s LEU 28 Cb -0.28 -3.13 -0.17 0.00 -0.43 0.00 0.00 46.19 42.17 1sie s LEU 28 CO 0.30 0.12 0.13 0.18 -0.29 0.00 0.00 176.35 176.78 1sie n LEU 29 N 2.35 1.86 -3.54 -0.68 4.77 -1.26 -5.01 117.00 115.49 1sie n LEU 29 Ca -0.05 0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 56.26 1sie n LEU 29 Cb 0.50 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 1sie n LEU 29 CO 0.45 0.22 0.68 -0.51 -1.33 0.00 0.00 177.39 176.90 1sie s ILE 30 N -2.36 0.00 0.12 -0.08 2.07 -1.26 -5.15 121.20 114.54 1sie s ILE 30 Ca -0.28 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1sie s ILE 30 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1sie s ILE 30 CO 0.55 0.00 -0.07 -1.59 -1.91 0.00 0.00 174.94 171.91 1sie s LYS 31 N -1.97 0.94 0.00 3.50 -2.85 -1.26 -5.05 119.74 113.06 1sie s LYS 31 Ca -0.01 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 1sie s LYS 31 Cb -0.01 -0.37 0.00 0.00 -2.06 0.00 0.00 37.83 35.39 1sie s LYS 31 CO -0.02 0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1sie n GLY 32 N -0.12 0.02 0.00 0.59 0.00 -1.26 -4.99 105.19 99.43 1sie n GLY 32 Ca -0.11 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.33 0.33 -0.02 0.00 -1.26 -4.82 105.19 99.09 1sie n GLY 33 Ca 0.00 -1.71 0.16 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.00 1.61 2.86 -2.00 0.43 114.93 117.82 1sie h MET 34 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1sie h MET 34 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1sie h MET 34 CO 0.00 0.00 -0.48 1.05 1.06 0.00 0.00 176.91 178.54 1sie h GLU 35 N 0.00 0.00 -1.09 1.72 9.09 -1.99 -2.02 114.58 120.29 1sie h GLU 35 Ca 0.09 0.00 0.31 0.00 0.05 0.00 0.00 59.36 59.80 1sie h GLU 35 Cb 0.45 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.44 1sie h GLU 35 CO -0.00 0.48 0.68 0.28 0.05 0.00 0.00 179.01 180.50 1sie h VAL 36 N 0.00 0.41 -0.88 -1.06 2.07 -1.22 0.27 116.25 115.85 1sie h VAL 36 Ca -0.00 -0.12 0.24 0.00 0.82 0.00 0.00 66.70 67.63 1sie h VAL 36 Cb 0.96 0.04 -0.14 0.00 -1.52 0.00 0.00 31.29 30.63 1sie h VAL 36 CO 0.06 0.06 0.25 -0.07 0.02 0.00 0.00 177.57 177.90 1sie h LEU 37 N 0.34 0.02 -1.38 2.57 4.07 -1.49 0.19 115.31 119.64 1sie h LEU 37 Ca 0.66 0.20 0.21 0.00 0.08 0.00 0.00 57.88 59.03 1sie h LEU 37 Cb 1.71 0.26 -0.08 0.00 1.08 0.00 0.00 40.66 43.63 1sie h LEU 37 CO -0.38 -0.15 0.61 0.44 -1.08 0.00 0.00 178.44 177.88 1sie h ASP 38 N 0.21 0.50 -2.25 -0.43 5.19 -0.60 -3.42 116.42 115.63 1sie h ASP 38 Ca 0.56 0.06 -0.58 0.00 -0.62 0.00 0.00 57.03 56.44 1sie h ASP 38 Cb 1.13 -0.03 0.05 0.00 0.18 0.00 0.00 39.33 40.65 1sie h ASP 38 CO -0.65 0.19 0.92 -0.11 -3.12 0.00 0.00 179.24 176.47 1sie n LEU 39 N -4.57 3.33 -3.12 1.55 7.94 0.67 -4.62 117.00 118.18 1sie n LEU 39 Ca 0.21 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 1sie n LEU 39 Cb 0.68 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.20 1sie n LEU 39 CO 0.28 -0.15 0.15 1.33 -1.11 0.00 0.00 177.39 177.89 1sie n VAL 40 N 4.04 0.00 0.00 1.96 0.24 -1.26 -4.82 118.33 118.48 1sie n VAL 40 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1sie n VAL 40 Cb 0.30 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1sie n VAL 40 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sie n THR 41 N 2.36 0.00 -0.16 3.34 -2.24 -1.26 -4.94 114.28 111.38 1sie n THR 41 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sie n THR 41 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.07 0.63 0.01 3.38 0.00 -1.26 -4.83 105.19 103.05 1sie n GLY 42 Ca 0.00 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 2.08 -0.12 1.61 -0.04 -1.26 -4.58 135.00 132.69 1sie n PRO 43 Ca 0.00 -0.02 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1sie n PRO 43 Cb 0.00 -1.11 0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.98 2.72 -4.54 3.54 8.00 -1.26 -4.37 116.55 118.67 1sie n ASP 44 Ca -0.05 -1.81 -0.34 0.00 0.71 0.00 0.00 54.79 53.31 1sie n ASP 44 Cb 0.45 -0.15 0.12 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.82 -0.69 -3.97 -2.24 3.41 -1.26 -4.98 113.62 104.71 1sie n SER 45 Ca 0.12 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1sie n SER 45 Cb 0.42 -1.33 -0.10 0.00 -0.26 0.00 0.00 64.21 62.94 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 -2.24 0.13 -0.01 -3.33 1.01 -1.26 -4.46 120.40 110.23 1sie s VAL 46 Ca 0.65 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1sie s VAL 46 Cb -0.27 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1sie s VAL 46 CO 0.59 -0.59 -0.12 -0.89 0.00 0.00 0.00 175.10 174.09 1sie s THR 47 N -2.14 0.96 -0.23 3.92 2.01 -1.01 -5.01 115.64 114.14 1sie s THR 47 Ca -0.09 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1sie s THR 47 Cb -0.05 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1sie s THR 47 CO -0.03 0.28 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.47 1sie s GLU 48 N -0.18 2.94 -0.07 4.92 2.02 -1.26 -1.74 118.70 125.33 1sie s GLU 48 Ca 0.03 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.17 1sie s GLU 48 Cb -0.06 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.29 1sie s GLU 48 CO -0.00 -0.33 -0.22 0.42 0.02 0.00 0.00 175.26 175.15 1sie s ILE 49 N 1.33 1.88 -0.17 -1.63 1.01 -0.81 -5.00 121.20 117.82 1sie s ILE 49 Ca 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1sie s ILE 49 Cb -0.15 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.73 1sie s ILE 49 CO -0.06 0.52 -0.14 -1.61 0.00 0.00 0.00 174.94 173.65 1sie s GLU 50 N 0.12 2.34 0.00 2.79 2.02 -1.25 -1.28 118.70 123.45 1sie s GLU 50 Ca -0.10 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1sie s GLU 50 Cb -0.15 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1sie s GLU 50 CO 0.05 -0.28 0.00 0.00 0.02 0.00 0.00 175.26 175.05 1sie n ALA 51 N 4.72 0.00 -3.62 5.21 0.00 0.02 -4.93 120.51 121.91 1sie n ALA 51 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1sie n ALA 51 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.07 -0.09 0.06 0.00 -0.71 -1.26 0.05 117.98 115.96 1sie s PHE 52 Ca 0.00 -0.02 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 1sie s PHE 52 Cb 0.00 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 1sie s PHE 52 CO 0.00 -0.33 -0.17 -0.51 -1.34 0.00 0.00 175.22 172.88 1sie s LEU 53 N -2.73 2.23 0.15 -1.99 1.02 -0.23 -4.98 118.68 112.15 1sie s LEU 53 Ca 0.12 -0.56 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 1sie s LEU 53 Cb 0.02 -0.70 -0.05 0.00 0.02 0.00 0.00 46.19 45.48 1sie s LEU 53 CO -0.04 0.03 0.33 0.20 0.02 0.00 0.00 176.35 176.90 1sie s ASN 54 N -1.48 6.41 -0.46 2.29 0.02 -1.26 -0.91 114.94 119.54 1sie s ASN 54 Ca 0.03 0.40 -0.29 0.00 -1.02 0.00 0.00 52.86 51.98 1sie s ASN 54 Cb -0.09 -2.01 0.02 0.00 0.02 0.00 0.00 41.25 39.19 1sie s ASN 54 CO 0.02 0.04 1.31 -2.16 0.02 0.00 0.00 177.10 176.34 1sie s PRO 55 N -2.93 3.58 -1.15 -0.60 0.04 -1.26 -4.89 135.00 127.80 1sie s PRO 55 Ca 0.38 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 1sie s PRO 55 Cb -0.12 -4.00 0.25 0.00 0.04 0.00 0.00 34.50 30.67 1sie s PRO 55 CO 0.27 -1.56 1.24 0.54 0.04 0.00 0.00 177.00 177.53 1sie n ARG 56 N 8.10 3.55 -4.05 4.56 1.74 -1.26 -4.45 116.66 124.86 1sie n ARG 56 Ca 0.14 -4.28 -0.32 0.00 -0.77 0.00 0.00 57.85 52.62 1sie n ARG 56 Cb 0.49 -2.69 -0.15 0.00 -1.02 0.00 0.00 32.46 29.09 1sie n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sie s MET 57 N -0.59 2.05 1.67 5.56 0.23 -1.26 -3.50 119.30 123.45 1sie s MET 57 Ca 0.34 -1.39 0.00 0.00 -1.03 0.00 0.00 55.69 53.61 1sie s MET 57 Cb -0.07 -2.90 0.00 0.00 -1.53 0.00 0.00 34.83 30.33 1sie s MET 57 CO -0.05 -0.63 0.00 0.41 -2.03 0.00 0.00 175.02 172.72 1sie n GLY 58 N 4.43 1.30 3.68 3.16 0.00 -1.25 -3.46 105.19 113.06 1sie n GLY 58 Ca -0.11 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 4.40 0.91 1.61 2.00 -0.47 -4.60 119.66 123.52 1sie s GLN 59 Ca 0.00 1.40 -0.13 0.00 -2.00 0.00 0.00 55.36 54.62 1sie s GLN 59 Cb 0.00 -3.55 0.14 0.00 0.80 0.00 0.00 33.01 30.40 1sie s GLN 59 CO 0.00 -0.35 1.18 -1.25 -0.50 0.00 0.00 175.29 174.37 1sie s PRO 60 N 2.14 1.12 0.00 1.67 0.04 -1.26 -3.51 135.00 135.19 1sie s PRO 60 Ca 0.48 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1sie s PRO 60 Cb -0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1sie s PRO 60 CO 0.17 -2.17 0.00 -0.35 0.04 0.00 0.00 177.00 174.68 1sie n PRO 61 N -3.71 0.00 0.00 0.56 -0.04 -1.26 -4.59 135.00 125.96 1sie n PRO 61 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1sie n PRO 61 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1sie n PRO 61 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sie n THR 62 N 0.00 0.00 -1.56 0.52 -2.24 -1.26 -4.32 114.28 105.42 1sie n THR 62 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1sie n THR 62 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.00 0.62 0.09 -0.78 -0.02 -1.26 -4.62 135.00 129.03 1sie n PRO 63 Ca 0.00 -0.69 -0.07 0.00 -2.02 0.00 0.00 63.50 60.72 1sie n PRO 63 Cb 0.00 -3.58 -0.03 0.00 -0.02 0.00 0.00 33.50 29.87 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 13.83 0.07 -6.42 -0.52 5.08 -1.95 -3.37 114.58 121.31 1sie h GLU 64 Ca -0.04 -0.09 -0.54 0.00 -1.00 0.00 0.00 59.36 57.69 1sie h GLU 64 Cb 1.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1sie h GLU 64 CO 1.05 0.92 0.66 0.45 -1.00 0.00 0.00 179.01 181.09 1sie s SER 65 N -6.83 7.02 0.00 1.42 0.15 -1.26 -4.80 113.70 109.39 1sie s SER 65 Ca -0.01 1.99 -0.03 0.00 0.70 0.00 0.00 55.95 58.60 1sie s SER 65 Cb 0.10 -2.57 -0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1sie s SER 65 CO 0.81 -0.56 2.17 0.00 1.20 0.00 0.00 173.24 176.87 1sie n LEU 66 N 4.56 3.31 0.00 3.45 -0.00 -1.26 -0.48 117.00 126.59 1sie n LEU 66 Ca 0.10 -2.02 0.00 0.00 -0.00 0.00 0.00 56.01 54.09 1sie n LEU 66 Cb 0.46 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 1sie n LEU 66 CO 0.56 0.82 0.00 0.35 -0.00 0.00 0.00 177.39 179.12 1sie n THR 67 N 2.44 0.00 0.19 1.47 -2.24 -1.26 -4.17 114.28 110.71 1sie n THR 67 Ca 0.20 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.91 1sie n THR 67 Cb 0.51 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.00 -0.49 -0.42 -0.78 4.39 -1.11 -3.16 114.58 113.00 1sie h GLU 68 Ca 0.00 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1sie h GLU 68 Cb 0.00 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1sie h GLU 68 CO 0.00 -0.33 0.02 0.41 -1.16 0.00 0.00 179.01 177.95 1sie n GLY 69 N -0.26 3.66 2.87 -3.84 0.00 -1.11 -4.90 105.19 101.60 1sie n GLY 69 Ca -0.06 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.09 -0.31 1.50 -0.02 0.00 -1.20 -0.77 105.19 104.31 1sie n GLY 70 Ca 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.30 -0.21 1.61 1.13 -1.26 -4.70 117.38 111.21 1sie n GLN 71 Ca 0.05 0.22 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 1sie n GLN 71 Cb 0.33 -0.32 0.25 0.00 0.11 0.00 0.00 30.24 30.61 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 -0.09 0.55 -1.60 1.08 4.01 0.05 -5.00 117.16 116.16 1sie n TYR 72 Ca -0.02 -0.27 -0.50 0.00 -0.16 0.00 0.00 57.90 56.95 1sie n TYR 72 Cb 0.11 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.37 1.53 -3.06 -0.72 9.36 -1.26 0.61 117.16 124.98 1sie n TYR 73 Ca 0.20 0.61 -0.13 0.00 3.32 0.00 0.00 57.90 61.90 1sie n TYR 73 Cb 0.57 -2.34 0.04 0.00 -0.63 0.00 0.00 39.34 36.99 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 2.41 0.16 3.61 2.98 0.00 -1.23 -4.99 105.19 108.13 1sie n GLY 74 Ca 0.17 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.16 -0.77 0.09 1.61 0.51 0.20 -3.80 118.94 113.62 1sie s TRP 75 Ca 0.30 1.84 -0.31 0.00 -2.12 0.00 0.00 56.10 55.82 1sie s TRP 75 Cb -0.13 0.28 -0.07 0.00 -0.81 0.00 0.00 33.47 32.73 1sie s TRP 75 CO 0.38 -0.40 1.40 -1.12 -0.51 0.00 0.00 176.95 176.69 1sie s SER 76 N 0.23 6.83 0.00 2.95 0.01 0.11 -1.37 113.70 122.46 1sie s SER 76 Ca -0.01 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1sie s SER 76 Cb -0.04 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1sie s SER 76 CO 0.02 -0.67 0.00 0.54 0.41 0.00 0.00 173.24 173.54 1sie n ARG 77 N 4.23 0.00 -1.46 12.44 1.74 0.44 -4.08 116.66 129.98 1sie n ARG 77 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1sie n ARG 77 Cb 0.43 -0.47 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 1sie n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sie n GLY 78 N 0.00 3.38 2.59 -0.13 0.00 -1.25 -4.63 105.19 105.15 1sie n GLY 78 Ca 0.00 -2.17 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 1sie n GLY 78 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1sie n ILE 79 N -0.40 1.70 -1.54 -0.61 0.00 -1.26 -4.55 119.36 112.70 1sie n ILE 79 Ca 0.00 -4.91 -0.40 0.00 0.00 0.00 0.00 62.75 57.44 1sie n ILE 79 Cb 0.00 -2.10 -0.05 0.00 0.00 0.00 0.00 39.64 37.49 1sie n ILE 79 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1sie n ASN 80 N 1.41 2.21 -4.76 9.51 4.05 -1.26 -4.87 115.26 121.55 1sie n ASN 80 Ca 0.26 -0.16 -0.29 0.00 0.45 0.00 0.00 54.58 54.83 1sie n ASN 80 Cb 0.40 -1.45 0.11 0.00 1.23 0.00 0.00 39.78 40.06 1sie n ASN 80 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1sie s LEU 81 N 10.43 2.54 0.67 1.20 2.96 -1.26 -4.75 118.68 130.47 1sie s LEU 81 Ca 1.05 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 55.64 1sie s LEU 81 Cb -0.44 -3.10 0.09 0.00 0.50 0.00 0.00 46.19 43.25 1sie s LEU 81 CO 0.34 -2.06 0.93 0.00 -1.32 0.00 0.00 176.35 174.24 1sie s ALA 82 N -3.64 3.69 -0.24 5.97 0.00 -1.26 -4.52 121.76 121.76 1sie s ALA 82 Ca 0.64 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1sie s ALA 82 Cb -0.10 -2.10 -0.16 0.00 0.00 0.00 0.00 23.12 20.77 1sie s ALA 82 CO 0.50 -1.24 -0.22 2.41 0.00 0.00 0.00 175.76 177.21 1sie n THR 83 N -2.70 1.40 -3.60 0.00 -1.04 0.12 -4.99 114.28 103.47 1sie n THR 83 Ca 0.12 -0.53 -0.04 0.00 -2.04 0.00 0.00 64.05 61.57 1sie n THR 83 Cb 0.60 -1.38 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 1sie n THR 83 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1sie s SER 84 N -6.40 -0.17 0.26 8.00 0.15 -0.93 -4.90 113.70 109.71 1sie s SER 84 Ca -0.33 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.40 1sie s SER 84 Cb 0.09 0.24 0.93 0.00 -1.71 0.00 0.00 66.02 65.56 1sie s SER 84 CO 0.56 -0.40 1.07 -0.67 1.20 0.00 0.00 173.24 174.99 1sie n ASP 85 N -0.26 0.22 -0.01 5.45 2.03 -1.26 0.26 116.55 122.98 1sie n ASP 85 Ca -0.04 1.09 -0.17 0.00 0.52 0.00 0.00 54.79 56.19 1sie n ASP 85 Cb 0.60 -0.53 -0.10 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.42 -3.62 5.18 1.03 -2.03 -3.44 112.91 111.45 1sie h THR 86 Ca 0.58 -1.95 -0.66 0.00 -0.01 0.00 0.00 66.41 64.37 1sie h THR 86 Cb 1.60 2.46 -0.23 0.00 -1.07 0.00 0.00 68.15 70.90 1sie h THR 86 CO -0.48 0.57 -0.62 -0.70 -0.01 0.00 0.00 175.52 174.28 1sie s GLU 87 N -3.39 3.49 -0.31 0.00 2.12 0.74 -4.93 118.70 116.41 1sie s GLU 87 Ca -0.13 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 1sie s GLU 87 Cb 0.04 -3.35 0.10 0.00 0.26 0.00 0.00 34.13 31.18 1sie s GLU 87 CO 0.81 -0.27 0.12 0.34 -0.54 0.00 0.00 175.26 175.72 1sie s ASP 88 N 1.59 3.84 -0.24 -1.70 2.15 -1.26 0.14 116.67 121.19 1sie s ASP 88 Ca 0.05 -1.62 -0.08 0.00 0.43 0.00 0.00 52.55 51.33 1sie s ASP 88 Cb -0.16 -0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 41.71 1sie s ASP 88 CO 0.03 -0.41 0.10 -0.55 -0.17 0.00 0.00 175.17 174.17 1sie s SER 89 N 1.66 5.49 0.00 -0.34 0.15 -1.26 0.68 113.70 120.08 1sie s SER 89 Ca 0.10 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1sie s SER 89 Cb -0.17 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1sie s SER 89 CO -0.26 0.02 0.37 -2.65 1.20 0.00 0.00 173.24 171.92 1sie n PRO 90 N 4.55 0.00 -0.11 5.44 -0.02 -1.25 -4.52 135.00 139.10 1sie n PRO 90 Ca -0.16 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1sie n PRO 90 Cb 0.52 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1sie n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sie n GLY 91 N 0.87 -0.06 0.00 -1.23 0.00 -1.26 -4.53 105.19 98.98 1sie n GLY 91 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -0.14 1.61 4.13 -1.26 0.97 115.26 120.57 1sie n ASN 92 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 1sie n ASN 92 Cb 0.00 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.27 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 -0.36 1.10 -0.07 6.41 6.94 -1.26 -4.22 115.26 123.80 1sie n ASN 93 Ca 0.00 -2.02 0.01 0.00 -0.02 0.00 0.00 54.58 52.55 1sie n ASN 93 Cb 0.00 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 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 -0.49 0.00 -3.81 5.53 -1.04 0.27 -0.42 114.28 114.33 1sie n THR 94 Ca 0.04 -0.49 -0.36 0.00 -2.04 0.00 0.00 64.05 61.20 1sie n THR 94 Cb 0.52 1.04 -0.12 0.00 -1.82 0.00 0.00 70.33 69.94 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 -0.68 4.80 0.28 -4.42 1.43 -1.19 -4.93 118.68 113.98 1sie s LEU 95 Ca 0.02 -1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 51.09 1sie s LEU 95 Cb 0.02 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 1sie s LEU 95 CO 0.04 -0.45 1.40 -2.16 0.23 0.00 0.00 176.35 175.42 1sie s PRO 96 N 1.20 4.28 0.20 1.29 0.04 -1.26 -3.74 135.00 137.01 1sie s PRO 96 Ca 0.04 2.30 0.10 0.00 0.04 0.00 0.00 61.00 63.48 1sie s PRO 96 Cb -0.22 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1sie s PRO 96 CO -0.03 -0.36 -0.21 0.95 0.04 0.00 0.00 177.00 177.40 1sie s THR 97 N -0.43 2.17 0.10 1.26 -4.23 -1.23 -1.38 115.64 111.90 1sie s THR 97 Ca 0.56 -2.09 -0.32 0.00 -1.18 0.00 0.00 61.69 58.65 1sie s THR 97 Cb -0.42 -2.07 -0.12 0.00 1.34 0.00 0.00 72.50 71.24 1sie s THR 97 CO 0.48 -0.28 1.78 0.79 -0.54 0.00 0.00 174.62 176.85 1sie n TRP 98 N 0.03 2.49 -3.82 3.99 7.02 0.40 -4.49 117.44 123.06 1sie n TRP 98 Ca -0.11 -0.01 -0.36 0.00 -1.02 0.00 0.00 57.50 56.00 1sie n TRP 98 Cb 0.57 -2.67 -0.07 0.00 -2.42 0.00 0.00 31.31 26.72 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 2.47 6.21 0.28 -0.99 0.01 -0.82 -0.96 113.70 119.89 1sie s SER 99 Ca 0.83 0.30 -0.17 0.00 1.31 0.00 0.00 55.95 58.22 1sie s SER 99 Cb -0.57 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1sie s SER 99 CO 0.40 0.26 0.63 0.00 0.41 0.00 0.00 173.24 174.94 1sie s MET 100 N -0.14 1.74 0.20 12.44 0.23 -1.26 0.32 119.30 132.82 1sie s MET 100 Ca 0.10 -1.14 -0.23 0.00 -1.03 0.00 0.00 55.69 53.39 1sie s MET 100 Cb -0.11 0.55 0.06 0.00 -1.53 0.00 0.00 34.83 33.80 1sie s MET 100 CO 0.00 -0.77 0.94 0.00 -2.03 0.00 0.00 175.02 173.16 1sie s ALA 101 N -3.82 -1.50 -0.04 3.16 0.00 0.35 -4.94 121.76 114.98 1sie s ALA 101 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1sie s ALA 101 Cb -0.04 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.79 1sie s ALA 101 CO 0.08 -1.04 -0.05 0.21 0.00 0.00 0.00 175.76 174.96 1sie s LYS 102 N -3.00 0.87 -0.21 0.00 2.20 -1.26 -1.63 119.74 116.70 1sie s LYS 102 Ca 0.15 -0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.44 1sie s LYS 102 Cb -0.03 -0.84 -0.03 0.00 -1.51 0.00 0.00 37.83 35.42 1sie s LYS 102 CO 0.04 -0.04 0.46 -0.51 -0.36 0.00 0.00 175.35 174.94 1sie s LEU 103 N 0.77 4.13 -0.37 5.43 2.01 0.13 -4.89 118.68 125.88 1sie s LEU 103 Ca -0.11 0.56 -0.19 0.00 0.01 0.00 0.00 54.13 54.40 1sie s LEU 103 Cb -0.14 -2.60 0.00 0.00 0.01 0.00 0.00 46.19 43.47 1sie s LEU 103 CO 0.01 -0.15 0.57 -1.58 1.01 0.00 0.00 176.35 176.20 1sie s GLN 104 N 1.63 3.57 0.63 1.70 2.00 -1.26 -1.50 119.66 126.43 1sie s GLN 104 Ca 0.21 -0.15 0.01 0.00 -2.00 0.00 0.00 55.36 53.44 1sie s GLN 104 Cb -0.15 -3.84 0.08 0.00 0.80 0.00 0.00 33.01 29.90 1sie s GLN 104 CO 0.09 -0.74 0.87 -0.51 -0.50 0.00 0.00 175.29 174.50 1sie s LEU 105 N 2.56 3.13 0.00 3.68 1.02 -0.02 -5.04 118.68 124.00 1sie s LEU 105 Ca 0.21 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.10 1sie s LEU 105 Cb -0.15 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.72 1sie s LEU 105 CO 0.15 -1.48 0.00 -2.65 0.02 0.00 0.00 176.35 172.39 1sie n PRO 106 N -2.54 -0.51 -4.87 1.29 -0.02 -1.26 -4.79 135.00 122.29 1sie n PRO 106 Ca 0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 1sie n PRO 106 Cb 0.60 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.93 1sie n PRO 106 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1sie s MET 107 N -2.59 3.21 0.49 -0.52 -1.94 -1.26 -4.81 119.30 111.87 1sie s MET 107 Ca 0.00 -0.78 0.06 0.00 -1.71 0.00 0.00 55.69 53.26 1sie s MET 107 Cb 0.00 -2.50 0.03 0.00 2.01 0.00 0.00 34.83 34.37 1sie s MET 107 CO 0.00 0.14 0.68 -0.51 -0.01 0.00 0.00 175.02 175.32 1sie s LEU 108 N 0.48 3.45 0.86 -0.03 1.02 -1.26 -5.09 118.68 118.11 1sie s LEU 108 Ca -0.12 -0.34 -0.10 0.00 0.02 0.00 0.00 54.13 53.59 1sie s LEU 108 Cb -0.16 -2.58 0.11 0.00 0.02 0.00 0.00 46.19 43.57 1sie s LEU 108 CO 0.05 -0.99 1.12 0.20 0.02 0.00 0.00 176.35 176.75 1sie s ASN 109 N -4.42 3.60 0.38 2.29 -0.87 -1.26 -4.84 114.94 109.80 1sie s ASN 109 Ca 0.57 1.98 0.03 0.00 -1.57 0.00 0.00 52.86 53.87 1sie s ASN 109 Cb -0.09 -2.52 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 1sie s ASN 109 CO 0.36 -2.64 0.10 -1.83 -2.57 0.00 0.00 177.10 170.52 1sie s GLU 110 N -4.77 1.82 -0.39 -0.60 -1.05 -1.26 -2.01 118.70 110.43 1sie s GLU 110 Ca 0.64 -2.07 0.06 0.00 -0.15 0.00 0.00 54.97 53.45 1sie s GLU 110 Cb -0.20 -0.71 0.31 0.00 -0.44 0.00 0.00 34.13 33.09 1sie s GLU 110 CO 0.57 -0.37 1.24 -3.47 0.95 0.00 0.00 175.26 174.19 1sie n ASP 111 N -1.05 -1.82 0.23 0.83 -0.08 -0.97 -4.95 116.55 108.74 1sie n ASP 111 Ca -0.05 -2.61 0.07 0.00 -1.51 0.00 0.00 54.79 50.70 1sie n ASP 111 Cb 0.66 1.30 0.40 0.00 2.34 0.00 0.00 41.12 45.81 1sie n ASP 111 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1sie h LEU 112 N 2.16 0.00 0.00 -2.67 8.10 -1.93 -2.12 115.31 118.85 1sie h LEU 112 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.70 1sie h LEU 112 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 1sie h LEU 112 CO -0.03 0.00 0.00 0.41 -4.11 0.00 0.00 178.44 174.71 1sie n THR 113 N -2.29 0.00 -2.66 0.15 -1.04 -1.26 -3.53 114.28 103.64 1sie n THR 113 Ca -0.01 0.67 -0.43 0.00 -2.04 0.00 0.00 64.05 62.24 1sie n THR 113 Cb 0.47 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1sie n THR 113 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sie n ASP 115 N 7.64 0.28 0.00 0.00 2.03 -0.85 -4.71 116.55 120.95 1sie n ASP 115 Ca 0.46 0.60 0.00 0.00 0.52 0.00 0.00 54.79 56.37 1sie n ASP 115 Cb 0.45 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1sie n ASP 115 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1sie n THR 116 N 1.35 0.00 -3.64 5.18 5.66 -1.08 -4.59 114.28 117.17 1sie n THR 116 Ca 0.13 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.07 1sie n THR 116 Cb 0.01 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.72 1sie n THR 116 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1sie s LEU 117 N 0.00 -0.72 -0.12 1.09 0.20 -0.47 -2.30 118.68 116.36 1sie s LEU 117 Ca 0.00 1.20 -0.12 0.00 0.69 0.00 0.00 54.13 55.90 1sie s LEU 117 Cb 0.00 2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 47.83 1sie s LEU 117 CO 0.00 -0.19 0.25 -1.58 -0.29 0.00 0.00 176.35 174.54 1sie s GLN 118 N 1.29 3.95 0.17 1.98 0.74 -0.85 0.13 119.66 127.06 1sie s GLN 118 Ca -0.08 0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.34 1sie s GLN 118 Cb -0.04 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 1sie s GLN 118 CO -0.15 0.49 0.19 0.00 -0.55 0.00 0.00 175.29 175.27 1sie s MET 119 N -0.29 1.13 0.00 1.67 0.23 0.26 -4.49 119.30 117.81 1sie s MET 119 Ca 0.16 -1.38 -0.30 0.00 -1.03 0.00 0.00 55.69 53.15 1sie s MET 119 Cb -0.13 0.32 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 1sie s MET 119 CO 0.05 -0.38 1.40 -1.58 -2.03 0.00 0.00 175.02 172.47 1sie s TRP 120 N -4.04 2.87 -0.15 3.16 0.23 -1.26 0.43 118.94 120.17 1sie s TRP 120 Ca 0.25 0.83 -0.00 0.00 -2.03 0.00 0.00 56.10 55.15 1sie s TRP 120 Cb 0.05 -3.66 0.03 0.00 0.03 0.00 0.00 33.47 29.93 1sie s TRP 120 CO 0.04 -2.42 -0.09 -2.00 0.96 0.00 0.00 176.95 173.44 1sie s GLU 121 N 2.37 1.80 0.31 4.98 2.12 0.13 -0.27 118.70 130.14 1sie s GLU 121 Ca 0.64 -0.53 -0.28 0.00 0.36 0.00 0.00 54.97 55.16 1sie s GLU 121 Cb -0.31 -2.01 -0.10 0.00 0.26 0.00 0.00 34.13 31.97 1sie s GLU 121 CO 0.26 -0.34 1.13 0.00 -0.54 0.00 0.00 175.26 175.78 1sie s ALA 122 N 1.57 3.37 0.07 6.30 0.00 0.75 -1.09 121.76 132.72 1sie s ALA 122 Ca 0.02 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1sie s ALA 122 Cb -0.14 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1sie s ALA 122 CO -0.09 -0.27 -0.03 0.28 0.00 0.00 0.00 175.76 175.65 1sie n VAL 123 N 0.92 1.24 -4.29 0.00 0.31 0.04 -2.32 118.33 114.24 1sie n VAL 123 Ca 0.00 0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 64.55 1sie n VAL 123 Cb 0.45 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.62 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 -5.97 0.99 -0.29 4.52 1.04 -1.13 0.18 113.70 113.05 1sie s SER 124 Ca -0.03 -1.44 -0.16 0.00 0.48 0.00 0.00 55.95 54.80 1sie s SER 124 Cb 0.00 0.29 0.14 0.00 0.10 0.00 0.00 66.02 66.56 1sie s SER 124 CO 0.04 -0.81 0.96 0.54 0.98 0.00 0.00 173.24 174.95 1sie s VAL 125 N -3.82 0.00 -0.11 5.02 0.11 0.25 -1.65 120.40 120.20 1sie s VAL 125 Ca 0.38 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1sie s VAL 125 Cb 0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1sie s VAL 125 CO 0.15 0.00 0.11 -0.54 -3.33 0.00 0.00 175.10 171.49 1sie s LYS 126 N 1.33 3.35 0.13 1.54 1.02 -0.56 -1.61 119.74 124.94 1sie s LYS 126 Ca -0.09 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 55.74 1sie s LYS 126 Cb -0.04 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 1sie s LYS 126 CO -0.15 0.76 -0.04 -0.08 -0.92 0.00 0.00 175.35 174.92 1sie s THR 127 N -1.01 0.75 -0.28 2.17 -1.32 -1.26 -0.50 115.64 114.18 1sie s THR 127 Ca 0.15 -1.97 -0.21 0.00 -1.21 0.00 0.00 61.69 58.45 1sie s THR 127 Cb -0.12 -1.87 0.12 0.00 -1.51 0.00 0.00 72.50 69.12 1sie s THR 127 CO 0.04 -0.71 0.94 -0.70 -2.21 0.00 0.00 174.62 171.98 1sie s GLU 128 N -3.85 0.52 -0.09 7.08 2.12 -0.83 -4.96 118.70 118.68 1sie s GLU 128 Ca 0.17 0.74 -0.11 0.00 0.36 0.00 0.00 54.97 56.13 1sie s GLU 128 Cb 0.05 0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 1sie s GLU 128 CO -0.01 -0.08 0.26 0.08 -0.54 0.00 0.00 175.26 174.97 1sie s VAL 129 N 0.82 5.29 0.12 3.70 1.01 -1.26 0.07 120.40 130.16 1sie s VAL 129 Ca -0.03 0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.54 1sie s VAL 129 Cb -0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1sie s VAL 129 CO -0.11 0.56 -0.20 0.68 0.00 0.00 0.00 175.10 176.03 1sie s VAL 130 N -0.71 2.72 0.00 2.92 -7.23 -0.65 -4.66 120.40 112.78 1sie s VAL 130 Ca 0.18 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1sie s VAL 130 Cb -0.14 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1sie s VAL 130 CO 0.07 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1sie n GLY 131 N 0.79 1.15 0.29 2.32 0.00 -1.26 -4.29 105.19 104.18 1sie n GLY 131 Ca -0.16 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 -0.81 1.61 0.02 -2.00 0.32 113.55 112.69 1sie h SER 132 Ca 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1sie h SER 132 Cb 0.49 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1sie h SER 132 CO 0.00 0.03 0.53 1.23 -1.14 0.00 0.00 176.83 177.48 1sie h GLY 133 N 0.16 1.04 -0.47 -3.77 0.00 -1.98 -1.87 103.07 96.19 1sie h GLY 133 Ca -0.00 -0.28 0.32 0.00 0.00 0.00 0.00 47.33 47.37 1sie h GLY 133 CO 0.00 0.13 0.68 0.23 0.00 0.00 0.00 176.54 177.59 1sie h SER 134 N 0.67 0.44 0.00 0.19 0.87 -0.73 -1.37 113.55 113.62 1sie h SER 134 Ca 0.39 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1sie h SER 134 Cb 0.58 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1sie h SER 134 CO -0.16 -0.03 0.00 0.18 -0.53 0.00 0.00 176.83 176.30 1sie n LEU 135 N -4.77 0.69 -0.24 2.23 7.99 -0.70 -2.36 117.00 119.84 1sie n LEU 135 Ca 0.30 -0.35 0.05 0.00 -0.01 0.00 0.00 56.01 56.00 1sie n LEU 135 Cb 1.03 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 44.08 1sie n LEU 135 CO 0.20 0.15 0.23 0.18 -1.51 0.00 0.00 177.39 176.64 1sie n LEU 136 N 0.32 1.26 -4.62 2.23 4.77 -0.51 -4.74 117.00 115.70 1sie n LEU 136 Ca 0.00 -0.79 -0.43 0.00 -0.03 0.00 0.00 56.01 54.76 1sie n LEU 136 Cb 0.15 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1sie n LEU 136 CO 0.00 0.25 1.15 -0.62 -1.33 0.00 0.00 177.39 176.84 1sie s ASP 137 N -1.26 6.57 -0.08 -1.43 -1.08 -1.00 -4.81 116.67 113.57 1sie s ASP 137 Ca 0.08 0.99 0.12 0.00 -0.52 0.00 0.00 52.55 53.23 1sie s ASP 137 Cb 0.08 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.33 1sie s ASP 137 CO 0.23 -1.21 1.25 1.33 0.52 0.00 0.00 175.17 177.29 1sie n VAL 138 N 6.56 1.60 0.00 1.11 0.24 -1.26 -4.84 118.33 121.73 1sie n VAL 138 Ca 0.15 -1.52 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1sie n VAL 138 Cb 0.47 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 -0.33 0.00 -2.55 6.34 -0.00 -1.26 0.22 115.22 117.63 1sie n HIS 139 Ca 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.99 1sie n HIS 139 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.55 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 -1.52 3.18 -1.39 0.00 -1.26 -4.19 105.19 105.01 1sie n GLY 140 Ca 0.00 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1sie n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sie s PHE 141 N -1.46 3.46 0.05 1.61 0.08 -1.26 -4.71 117.98 115.75 1sie s PHE 141 Ca 0.00 -2.03 0.01 0.00 0.12 0.00 0.00 56.93 55.04 1sie s PHE 141 Cb 0.00 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.33 1sie s PHE 141 CO 0.00 -0.93 -0.06 -0.80 -0.10 0.00 0.00 175.22 173.33 1sie s ASN 142 N 2.00 0.79 0.12 1.36 -0.87 -1.26 -2.90 114.94 114.18 1sie s ASN 142 Ca 0.05 -0.70 -0.34 0.00 -1.57 0.00 0.00 52.86 50.30 1sie s ASN 142 Cb -0.23 0.08 -0.18 0.00 -0.02 0.00 0.00 41.25 40.90 1sie s ASN 142 CO -0.02 -0.32 0.94 0.29 -2.57 0.00 0.00 177.10 175.42 1sie n LYS 143 N 0.97 0.40 -2.60 -0.60 5.02 -0.87 -4.08 118.16 116.40 1sie n LYS 143 Ca -0.19 0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 56.02 1sie n LYS 143 Cb 0.57 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.43 2.51 0.12 1.97 0.02 -1.26 -1.79 135.00 136.14 1sie s PRO 144 Ca 0.77 -0.72 -0.28 0.00 0.02 0.00 0.00 61.00 60.79 1sie s PRO 144 Cb -1.02 -2.45 -0.09 0.00 0.02 0.00 0.00 34.50 30.95 1sie s PRO 144 CO 0.55 -0.76 1.48 1.15 -0.33 0.00 0.00 177.00 179.08 1sie h THR 145 N 0.00 0.00 -3.41 0.99 2.02 0.35 -3.34 112.91 109.52 1sie h THR 145 Ca -0.42 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.16 1sie h THR 145 Cb 1.30 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 1sie h THR 145 CO 0.53 0.00 -0.18 -0.62 0.37 0.00 0.00 175.52 175.62 1sie s ASP 146 N -4.82 6.51 -0.21 4.18 2.15 0.11 -4.96 116.67 119.63 1sie s ASP 146 Ca -0.12 0.61 -0.20 0.00 0.43 0.00 0.00 52.55 53.27 1sie s ASP 146 Cb 0.08 -2.24 -0.17 0.00 -0.30 0.00 0.00 42.92 40.28 1sie s ASP 146 CO 0.54 -0.04 0.13 0.35 -0.17 0.00 0.00 175.17 175.97 1sie n THR 147 N 4.07 1.53 0.00 1.71 -2.24 -1.26 0.39 114.28 118.49 1sie n THR 147 Ca -0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1sie n THR 147 Cb 0.51 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 1sie n THR 147 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1sie n VAL 148 N -4.43 0.00 1.75 2.28 0.31 -1.26 0.19 118.33 117.17 1sie n VAL 148 Ca -0.32 1.22 0.12 0.00 -0.01 0.00 0.00 64.34 65.35 1sie n VAL 148 Cb 0.67 -1.66 0.63 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.44 0.63 -2.93 4.52 3.02 -1.26 -4.88 115.26 111.91 1sie n ASN 149 Ca 0.00 -1.37 -0.13 0.00 -0.03 0.00 0.00 54.58 53.05 1sie n ASN 149 Cb 0.00 -0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.21 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 -0.44 -6.70 -4.60 3.41 -1.04 0.13 -5.02 114.28 100.02 1sie n THR 150 Ca 0.18 -0.86 -0.29 0.00 -2.04 0.00 0.00 64.05 61.05 1sie n THR 150 Cb 0.19 -5.41 -0.08 0.00 -1.82 0.00 0.00 70.33 63.21 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 -4.46 2.06 1.16 -2.82 2.47 0.16 -4.97 119.74 113.35 1sie s LYS 151 Ca 0.24 -2.29 0.00 0.00 -1.56 0.00 0.00 55.97 52.36 1sie s LYS 151 Cb -0.03 -0.83 0.00 0.00 -1.46 0.00 0.00 37.83 35.50 1sie s LYS 151 CO 0.60 -0.50 0.00 0.41 0.16 0.00 0.00 175.35 176.02 1sie n GLY 152 N -1.06 1.08 3.20 5.54 0.00 -1.26 0.06 105.19 112.75 1sie n GLY 152 Ca -0.11 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 1.32 -0.94 -0.61 -1.09 -1.26 -4.86 121.20 113.75 1sie s ILE 153 Ca 0.00 -1.30 -0.20 0.00 -2.23 0.00 0.00 60.65 56.91 1sie s ILE 153 Cb 0.00 -1.22 0.10 0.00 -1.58 0.00 0.00 42.46 39.76 1sie s ILE 153 CO 0.00 -0.11 1.22 -0.44 -1.23 0.00 0.00 174.94 174.39 1sie s SER 154 N -1.63 6.56 0.00 3.58 0.01 0.13 0.12 113.70 122.48 1sie s SER 154 Ca 0.02 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.48 1sie s SER 154 Cb -0.09 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1sie s SER 154 CO 0.03 -1.23 0.00 0.41 0.41 0.00 0.00 173.24 172.86 1sie n THR 155 N 5.97 0.00 -0.46 1.44 -1.04 -0.74 -4.54 114.28 114.90 1sie n THR 155 Ca 0.25 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.98 1sie n THR 155 Cb 0.50 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 69.26 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 0.00 -2.85 -2.25 -2.82 -0.04 -1.26 -4.70 135.00 121.08 1sie n PRO 156 Ca 0.00 -0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 62.28 1sie n PRO 156 Cb 0.00 -1.99 -0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 -2.29 3.11 0.30 0.52 1.01 -1.26 -4.85 120.40 116.93 1sie s VAL 157 Ca 0.65 0.78 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 1sie s VAL 157 Cb -0.20 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1sie s VAL 157 CO 0.63 -0.06 0.63 -1.61 0.00 0.00 0.00 175.10 174.69 1sie s GLU 158 N -2.89 1.81 0.00 2.72 2.02 -1.15 -4.64 118.70 116.57 1sie s GLU 158 Ca 0.67 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1sie s GLU 158 Cb -0.27 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1sie s GLU 158 CO 0.32 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1sie n GLY 159 N -0.46 2.18 3.54 -1.39 0.00 0.60 -0.77 105.19 108.89 1sie n GLY 159 Ca -0.04 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 0.00 0.37 -4.24 1.61 7.64 0.17 -4.58 113.62 114.59 1sie n SER 160 Ca 0.00 1.01 -0.16 0.00 1.01 0.00 0.00 58.87 60.73 1sie n SER 160 Cb 0.00 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 61.86 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 -1.76 1.04 -0.25 1.43 -2.07 0.40 -3.49 119.66 114.97 1sie s GLN 161 Ca 0.63 -1.34 -0.12 0.00 -1.82 0.00 0.00 55.36 52.70 1sie s GLN 161 Cb -0.61 -0.74 0.08 0.00 -1.09 0.00 0.00 33.01 30.65 1sie s GLN 161 CO 0.57 0.12 0.58 -0.47 -1.32 0.00 0.00 175.29 174.77 1sie s TYR 162 N -2.75 -0.97 0.00 9.60 6.14 -0.12 -1.67 117.35 127.58 1sie s TYR 162 Ca 0.13 1.89 0.01 0.00 0.64 0.00 0.00 57.07 59.73 1sie s TYR 162 Cb -0.01 0.54 -0.00 0.00 0.42 0.00 0.00 41.96 42.90 1sie s TYR 162 CO 0.02 -0.50 -0.03 -1.01 0.64 0.00 0.00 175.55 174.66 1sie s HIS 163 N 1.90 0.30 -0.03 4.97 3.76 -1.24 0.16 115.29 125.10 1sie s HIS 163 Ca -0.08 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.44 1sie s HIS 163 Cb -0.08 -0.19 0.09 0.00 1.11 0.00 0.00 32.58 33.51 1sie s HIS 163 CO -0.17 -0.01 0.76 0.08 -0.85 0.00 0.00 174.74 174.55 1sie s VAL 164 N -0.18 0.00 0.18 -0.90 1.01 -0.84 -1.65 120.40 118.01 1sie s VAL 164 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 1sie s VAL 164 Cb -0.02 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.43 1sie s VAL 164 CO -0.00 0.00 0.99 0.72 0.00 0.00 0.00 175.10 176.81 1sie s PHE 165 N -1.86 -0.02 -0.10 5.22 -0.71 0.24 -0.28 117.98 120.47 1sie s PHE 165 Ca -0.05 -0.35 -0.31 0.00 -1.04 0.00 0.00 56.93 55.18 1sie s PHE 165 Cb -0.00 0.68 0.12 0.00 -1.21 0.00 0.00 43.02 42.61 1sie s PHE 165 CO 0.02 -0.92 1.00 0.00 -1.34 0.00 0.00 175.22 173.98 1sie s ALA 166 N -2.69 -1.92 -0.16 1.99 0.00 0.16 -0.70 121.76 118.44 1sie s ALA 166 Ca 0.17 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1sie s ALA 166 Cb -0.02 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1sie s ALA 166 CO 0.04 -0.55 -0.11 0.08 0.00 0.00 0.00 175.76 175.22 1sie s VAL 167 N -2.34 1.48 0.35 0.00 1.01 -0.88 -1.59 120.40 118.44 1sie s VAL 167 Ca 0.04 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1sie s VAL 167 Cb -0.01 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1sie s VAL 167 CO -0.05 0.32 0.15 0.61 0.00 0.00 0.00 175.10 176.13 1sie n GLY 168 N 4.78 3.28 0.20 4.51 0.00 0.75 -1.82 105.19 116.89 1sie n GLY 168 Ca -0.15 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 43.88 1sie n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sie n GLY 169 N -0.49 4.08 3.54 -0.02 0.00 -0.78 -0.57 105.19 110.94 1sie n GLY 169 Ca -0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.19 0.67 0.84 1.61 -1.05 -1.26 -0.92 118.70 116.39 1sie s GLU 170 Ca 0.23 -0.12 -0.14 0.00 -0.15 0.00 0.00 54.97 54.80 1sie s GLU 170 Cb 0.20 0.31 0.04 0.00 -0.44 0.00 0.00 34.13 34.23 1sie s GLU 170 CO 0.04 -0.27 0.74 -0.35 0.95 0.00 0.00 175.26 176.37 1sie n PRO 171 N 0.12 0.02 -2.19 -4.83 -0.04 -1.26 -4.80 135.00 122.03 1sie n PRO 171 Ca -0.08 0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.05 1sie n PRO 171 Cb 0.60 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.61 4.28 -0.14 1.53 1.98 -1.26 -4.76 118.68 117.71 1sie s LEU 172 Ca 0.65 2.52 -0.12 0.00 -2.89 0.00 0.00 54.13 54.30 1sie s LEU 172 Cb -0.28 -3.87 -0.05 0.00 0.66 0.00 0.00 46.19 42.66 1sie s LEU 172 CO 0.59 -0.66 0.24 -1.81 -1.89 0.00 0.00 176.35 172.81 1sie s ASP 173 N -0.84 6.43 0.44 3.68 1.11 -1.26 -0.72 116.67 125.51 1sie s ASP 173 Ca 0.54 0.51 0.06 0.00 0.18 0.00 0.00 52.55 53.84 1sie s ASP 173 Cb -0.35 -2.15 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 1sie s ASP 173 CO 0.45 0.22 0.07 -0.76 1.18 0.00 0.00 175.17 176.33 1sie s LEU 174 N -0.12 2.80 -0.14 1.23 1.02 -0.85 -0.71 118.68 121.91 1sie s LEU 174 Ca 0.15 -1.35 -0.07 0.00 0.02 0.00 0.00 54.13 52.88 1sie s LEU 174 Cb -0.13 -1.01 0.06 0.00 0.02 0.00 0.00 46.19 45.13 1sie s LEU 174 CO 0.04 -0.59 0.34 -1.58 0.02 0.00 0.00 176.35 174.58 1sie s GLN 175 N -3.82 0.31 0.13 1.70 -0.44 0.17 -2.03 119.66 115.67 1sie s GLN 175 Ca 0.30 0.69 0.07 0.00 -2.50 0.00 0.00 55.36 53.93 1sie s GLN 175 Cb 0.06 -0.05 -0.04 0.00 -1.64 0.00 0.00 33.01 31.34 1sie s GLN 175 CO 0.16 -0.17 -0.07 0.20 0.50 0.00 0.00 175.29 175.92 1sie s GLY 176 N 1.42 1.78 -0.03 2.59 0.00 -0.17 0.77 107.32 113.69 1sie s GLY 176 Ca -0.09 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 1sie s GLY 176 CO -0.11 -1.29 0.20 1.08 0.00 0.00 0.00 173.10 172.98 1sie s LEU 177 N -2.49 1.27 0.28 0.66 1.43 -0.69 -4.27 118.68 114.87 1sie s LEU 177 Ca 0.24 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1sie s LEU 177 Cb -0.10 0.84 -0.04 0.00 0.03 0.00 0.00 46.19 46.92 1sie s LEU 177 CO 0.16 -0.30 0.20 0.54 0.23 0.00 0.00 176.35 177.18 1sie s VAL 178 N -0.92 0.07 0.00 -1.59 0.11 -1.21 -4.67 120.40 112.18 1sie s VAL 178 Ca -0.10 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 56.95 1sie s VAL 178 Cb -0.05 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.30 1sie s VAL 178 CO 0.02 0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.14 1sie n THR 179 N -0.49 0.00 -1.58 5.04 -2.24 -1.26 -4.40 114.28 109.35 1sie n THR 179 Ca 0.04 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.37 1sie n THR 179 Cb 0.64 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1sie n THR 179 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sie n ASP 180 N 0.00 3.14 0.02 3.42 8.00 -1.26 -4.76 116.55 125.10 1sie n ASP 180 Ca 0.00 0.37 -0.11 0.00 0.71 0.00 0.00 54.79 55.75 1sie n ASP 180 Cb 0.00 -1.48 -0.05 0.00 -0.02 0.00 0.00 41.12 39.57 1sie n ASP 180 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sie h ALA 181 N 13.68 -0.46 -0.19 2.24 0.00 -1.88 -2.94 119.26 129.71 1sie h ALA 181 Ca -0.40 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1sie h ALA 181 Cb 1.26 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1sie h ALA 181 CO 0.97 -0.85 -0.11 2.89 0.00 0.00 0.00 179.25 182.15 1sie n ARG 182 N -5.42 -0.08 0.00 0.00 1.85 -1.26 -4.80 116.66 106.94 1sie n ARG 182 Ca -0.04 0.53 0.00 0.00 -1.00 0.00 0.00 57.85 57.34 1sie n ARG 182 Cb 0.34 -0.79 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 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 -3.33 0.00 -1.70 8.89 -1.04 -1.12 -4.62 114.28 111.36 1sie n THR 183 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 1sie n THR 183 Cb 0.05 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 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 0.19 2.25 -2.51 -2.82 4.01 0.21 -4.91 118.16 114.59 1sie n LYS 184 Ca 0.00 -2.42 -0.42 0.00 -0.51 0.00 0.00 58.31 54.96 1sie n LYS 184 Cb 0.00 -3.25 -0.03 0.00 -0.51 0.00 0.00 35.03 31.24 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 5.08 3.45 0.13 2.13 2.02 -1.26 -3.83 117.35 125.08 1sie s TYR 185 Ca 0.55 1.39 -0.31 0.00 -0.37 0.00 0.00 57.07 58.33 1sie s TYR 185 Cb 0.11 -3.34 -0.08 0.00 -0.40 0.00 0.00 41.96 38.24 1sie s TYR 185 CO 0.04 -0.95 1.43 0.15 -1.57 0.00 0.00 175.55 174.65 1sie s LYS 186 N 1.28 4.30 -0.04 -0.62 3.01 -1.26 -4.84 119.74 121.58 1sie s LYS 186 Ca 0.56 2.14 0.03 0.00 -1.01 0.00 0.00 55.97 57.69 1sie s LYS 186 Cb -0.26 -3.22 0.14 0.00 -1.01 0.00 0.00 37.83 33.48 1sie s LYS 186 CO 0.27 -0.46 0.79 -0.85 0.51 0.00 0.00 175.35 175.61 1sie n GLU 187 N 3.82 1.64 -4.37 1.68 0.28 -1.26 -4.65 120.64 117.78 1sie n GLU 187 Ca 0.12 -0.55 -0.21 0.00 -0.16 0.00 0.00 57.16 56.35 1sie n GLU 187 Cb 0.41 -1.55 -0.16 0.00 1.43 0.00 0.00 31.44 31.58 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 -1.40 1.11 0.00 3.44 2.56 -1.26 -4.79 118.70 118.35 1sie s GLU 188 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.97 54.80 1sie s GLU 188 Cb 0.07 -1.01 0.00 0.00 2.00 0.00 0.00 34.13 35.19 1sie s GLU 188 CO 0.03 0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.17 1sie n GLY 189 N 3.68 0.54 0.00 -1.50 0.00 -1.26 -5.01 105.19 101.64 1sie n GLY 189 Ca -0.22 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.05 0.00 -2.93 1.61 3.14 -1.26 -4.97 118.33 110.86 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 0.14 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.87 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 -0.77 4.82 0.46 1.55 1.01 -1.11 -4.82 120.40 121.53 1sie s VAL 191 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.34 1sie s VAL 191 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1sie s VAL 191 CO 0.00 -0.17 0.05 -0.89 0.00 0.00 0.00 175.10 174.08 1sie s THR 192 N 2.90 1.69 0.09 3.92 2.01 -1.26 -4.38 115.64 120.61 1sie s THR 192 Ca 0.33 -1.94 -0.25 0.00 0.31 0.00 0.00 61.69 60.15 1sie s THR 192 Cb -0.15 -2.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.65 1sie s THR 192 CO 0.11 0.00 1.41 0.16 -0.69 0.00 0.00 174.62 175.60 1sie h ILE 193 N 1.51 0.00 -0.76 1.82 -0.00 -1.95 0.19 117.51 118.33 1sie h ILE 193 Ca -0.43 0.00 0.15 0.00 -0.00 0.00 0.00 64.86 64.57 1sie h ILE 193 Cb 1.27 0.00 -0.05 0.00 -0.00 0.00 0.00 36.82 38.04 1sie h ILE 193 CO 0.76 0.00 0.51 0.07 -0.00 0.00 0.00 178.15 179.48 1sie h LYS 194 N -0.35 0.42 0.00 0.16 -0.00 -1.71 1.92 116.57 117.01 1sie h LYS 194 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 1sie h LYS 194 Cb 0.47 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.60 1sie h LYS 194 CO -0.39 0.28 0.02 2.41 -0.00 0.00 0.00 179.45 181.76 1sie n THR 195 N -4.48 0.65 0.00 0.07 -1.04 0.64 -3.30 114.28 106.82 1sie n THR 195 Ca 0.14 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1sie n THR 195 Cb 0.52 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1sie n THR 195 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sie n ILE 196 N -1.13 0.00 -2.10 12.58 0.13 0.46 -4.79 119.36 124.51 1sie n ILE 196 Ca 0.00 0.00 -0.39 0.00 -1.10 0.00 0.00 62.75 61.26 1sie n ILE 196 Cb 0.02 -0.28 -0.03 0.00 -0.84 0.00 0.00 39.64 38.50 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 -1.75 3.43 0.61 9.51 -1.32 0.54 -4.71 115.64 121.95 1sie s THR 197 Ca 0.00 0.28 0.25 0.00 -1.21 0.00 0.00 61.69 61.02 1sie s THR 197 Cb 0.00 -4.02 0.37 0.00 -1.51 0.00 0.00 72.50 67.34 1sie s THR 197 CO 0.00 -0.95 1.33 0.11 -2.21 0.00 0.00 174.62 172.91 1sie h LYS 198 N 14.10 0.00 0.00 7.08 1.79 -1.82 -3.31 116.57 134.42 1sie h LYS 198 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1sie h LYS 198 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1sie h LYS 198 CO 1.20 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 181.20 1sie n LYS 199 N -3.23 2.74 -3.31 3.15 5.02 -1.26 -4.91 118.16 116.36 1sie n LYS 199 Ca 0.21 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.30 1sie n LYS 199 Cb 1.43 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 36.43 1sie n LYS 199 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sie n ASP 200 N 0.00 2.40 -4.59 4.39 8.00 -1.26 -4.11 116.55 121.38 1sie n ASP 200 Ca 0.00 -2.40 -0.32 0.00 0.71 0.00 0.00 54.79 52.78 1sie n ASP 200 Cb 0.00 0.03 0.15 0.00 -0.02 0.00 0.00 41.12 41.28 1sie n ASP 200 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1sie n MET 201 N -1.31 -0.31 -3.65 -1.24 2.81 -1.26 -4.87 117.12 107.29 1sie n MET 201 Ca -0.04 -0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.70 1sie n MET 201 Cb 0.45 -2.22 -0.05 0.00 -0.71 0.00 0.00 33.22 30.69 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 -2.48 0.06 0.38 2.03 1.01 -1.26 -4.97 120.40 115.17 1sie s VAL 202 Ca 0.65 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1sie s VAL 202 Cb -0.24 -1.05 0.28 0.00 0.00 0.00 0.00 36.38 35.37 1sie s VAL 202 CO 0.60 -0.28 2.00 -0.55 0.00 0.00 0.00 175.10 176.87 1sie h ASN 203 N 2.70 0.58 -0.51 3.32 -1.07 -1.99 -1.96 115.58 116.65 1sie h ASN 203 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.04 1sie h ASN 203 Cb 1.23 -0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 37.32 1sie h ASN 203 CO 0.45 0.40 0.33 0.11 0.07 0.00 0.00 177.43 178.78 1sie h LYS 204 N 0.67 0.69 -0.82 4.14 1.57 -1.96 0.54 116.57 121.40 1sie h LYS 204 Ca 0.24 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 1sie h LYS 204 Cb 0.12 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1sie h LYS 204 CO -0.07 0.47 0.47 -0.44 -0.57 0.00 0.00 179.45 179.32 1sie h ASP 205 N 0.69 0.69 -0.01 0.86 5.19 -1.65 1.06 116.42 123.26 1sie h ASP 205 Ca 0.19 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1sie h ASP 205 Cb -0.05 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 1sie h ASP 205 CO -0.04 0.40 0.33 -0.61 -3.12 0.00 0.00 179.24 176.20 1sie h GLN 206 N 0.81 0.00 0.00 3.56 4.15 -0.38 -3.21 115.11 120.04 1sie h GLN 206 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1sie h GLN 206 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1sie h GLN 206 CO -0.24 0.00 -0.60 1.33 -1.93 0.00 0.00 178.83 177.40 1sie n VAL 207 N -2.91 0.00 -2.95 2.39 0.24 0.20 -3.78 118.33 111.53 1sie n VAL 207 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.30 1sie n VAL 207 Cb 0.38 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 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 -4.45 -0.67 -0.49 1.34 0.20 0.34 -4.94 118.68 110.01 1sie s LEU 208 Ca 0.00 -0.24 -0.16 0.00 0.69 0.00 0.00 54.13 54.42 1sie s LEU 208 Cb 0.00 0.98 0.09 0.00 -0.43 0.00 0.00 46.19 46.83 1sie s LEU 208 CO 0.00 -0.09 0.44 0.21 -0.29 0.00 0.00 176.35 176.63 1sie s ASN 209 N 2.16 6.16 0.09 3.68 2.47 -1.11 -4.70 114.94 123.70 1sie s ASN 209 Ca 0.17 -1.41 0.05 0.00 0.42 0.00 0.00 52.86 52.08 1sie s ASN 209 Cb 0.00 -2.20 0.27 0.00 -1.45 0.00 0.00 41.25 37.87 1sie s ASN 209 CO -0.15 -0.72 1.07 -2.65 -3.72 0.00 0.00 177.10 170.92 1sie n PRO 210 N 5.30 0.03 -0.10 0.43 -0.02 -1.26 0.39 135.00 139.77 1sie n PRO 210 Ca -0.12 0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 1sie n PRO 210 Cb 0.43 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.87 0.00 4.25 5.03 -1.97 -3.41 117.51 122.27 1sie h ILE 211 Ca 0.00 -2.04 -0.19 0.00 -0.12 0.00 0.00 64.86 62.51 1sie h ILE 211 Cb 0.24 2.03 0.04 0.00 -3.03 0.00 0.00 36.82 36.09 1sie h ILE 211 CO 0.00 0.29 1.27 -1.20 -0.68 0.00 0.00 178.15 177.84 1sie n SER 212 N -4.48 0.75 -4.29 1.72 7.64 0.16 -4.80 113.62 110.32 1sie n SER 212 Ca -0.27 -2.17 -0.32 0.00 1.01 0.00 0.00 58.87 57.12 1sie n SER 212 Cb 0.60 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 63.07 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 5.34 2.90 0.10 1.43 -0.14 -1.26 -1.00 119.74 127.11 1sie s LYS 213 Ca 0.22 -0.83 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 1sie s LYS 213 Cb 0.05 -2.33 -0.00 0.00 -1.68 0.00 0.00 37.83 33.87 1sie s LYS 213 CO 0.08 0.30 0.01 0.00 -0.76 0.00 0.00 175.35 174.99 1sie n ALA 214 N 3.21 0.10 -2.26 5.17 0.00 -0.86 -4.96 120.51 120.91 1sie n ALA 214 Ca -0.18 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 1sie n ALA 214 Cb 0.52 0.28 -0.10 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.36 1.12 -0.37 0.00 -0.14 -1.26 -2.00 119.74 114.73 1sie s LYS 215 Ca 0.02 -1.51 -0.01 0.00 -1.36 0.00 0.00 55.97 53.10 1sie s LYS 215 Cb 0.00 -0.56 0.23 0.00 -1.68 0.00 0.00 37.83 35.82 1sie s LYS 215 CO 0.01 0.00 2.07 -0.11 -0.76 0.00 0.00 175.35 176.57 1sie n LEU 216 N -0.25 6.62 0.05 3.17 0.00 0.10 -4.58 117.00 122.11 1sie n LEU 216 Ca -0.09 -3.46 0.18 0.00 0.00 0.00 0.00 56.01 52.64 1sie n LEU 216 Cb 0.62 -1.06 0.70 0.00 0.00 0.00 0.00 43.42 43.67 1sie n LEU 216 CO 0.33 1.29 1.17 -2.24 0.00 0.00 0.00 177.39 177.94 1sie h ASP 217 N 1.63 0.00 0.00 1.96 2.03 -1.97 -3.42 116.42 116.65 1sie h ASP 217 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1sie h ASP 217 Cb 0.89 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1sie h ASP 217 CO 0.86 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 179.36 1sie n LYS 218 N -4.34 0.00 0.00 4.15 4.01 -1.26 -5.14 118.16 115.58 1sie n LYS 218 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1sie n LYS 218 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 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 -1.76 4.39 2.03 -1.26 -4.82 116.55 115.13 1sie n ASP 219 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 1sie n ASP 219 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1sie n ASP 219 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sie n GLY 220 N -0.28 1.35 0.52 0.27 0.00 -0.14 -4.77 105.19 102.14 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 -2.46 0.00 -2.81 1.61 1.56 -1.26 -4.83 117.12 108.94 1sie n MET 221 Ca -0.21 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.81 1sie n MET 221 Cb 0.65 -0.64 -0.03 0.00 2.15 0.00 0.00 33.22 35.35 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 -1.79 3.43 0.41 1.12 1.51 -1.26 -2.75 117.35 118.01 1sie s TYR 222 Ca 0.00 1.37 -0.22 0.00 -1.01 0.00 0.00 57.07 57.21 1sie s TYR 222 Cb 0.00 -3.09 -0.11 0.00 -0.11 0.00 0.00 41.96 38.65 1sie s TYR 222 CO 0.00 -0.27 0.95 -1.25 -1.11 0.00 0.00 175.55 173.87 1sie s PRO 223 N 2.25 4.29 0.30 -1.71 0.04 -1.26 0.15 135.00 139.06 1sie s PRO 223 Ca 0.42 1.18 0.09 0.00 0.04 0.00 0.00 61.00 62.72 1sie s PRO 223 Cb -0.17 -2.32 0.47 0.00 0.04 0.00 0.00 34.50 32.52 1sie s PRO 223 CO 0.13 0.02 1.69 0.28 0.04 0.00 0.00 177.00 179.16 1sie h VAL 224 N 2.05 1.35 -0.51 -0.36 2.07 -1.50 -1.64 116.25 117.70 1sie h VAL 224 Ca -0.49 -1.69 0.15 0.00 0.82 0.00 0.00 66.70 65.50 1sie h VAL 224 Cb 1.18 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1sie h VAL 224 CO 0.62 0.49 0.66 -0.08 0.02 0.00 0.00 177.57 179.28 1sie h GLU 225 N 0.09 0.00 0.00 1.57 4.81 -1.92 -3.25 114.58 115.88 1sie h GLU 225 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1sie h GLU 225 Cb 0.89 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1sie h GLU 225 CO 0.07 0.00 -1.37 -0.89 -0.73 0.00 0.00 179.01 176.09 1sie n ILE 226 N -3.45 0.37 -3.60 2.32 5.41 -0.75 -4.85 119.36 114.81 1sie n ILE 226 Ca 0.10 -0.12 -0.36 0.00 1.00 0.00 0.00 62.75 63.37 1sie n ILE 226 Cb 0.85 -1.10 -0.06 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.13 3.63 0.04 1.39 0.52 -0.69 -1.70 118.94 119.99 1sie s TRP 227 Ca -0.09 0.80 0.01 0.00 0.02 0.00 0.00 56.10 56.84 1sie s TRP 227 Cb 0.03 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1sie s TRP 227 CO 0.14 0.59 -0.05 -1.01 0.02 0.00 0.00 176.95 176.63 1sie s HIS 228 N -1.26 0.48 -0.04 -1.98 3.76 0.23 -4.70 115.29 111.77 1sie s HIS 228 Ca 0.28 -0.63 -0.29 0.00 -0.15 0.00 0.00 55.06 54.26 1sie s HIS 228 Cb -0.14 -0.31 -0.08 0.00 1.11 0.00 0.00 32.58 33.16 1sie s HIS 228 CO 0.15 -0.18 2.02 -1.25 -0.85 0.00 0.00 174.74 174.63 1sie s PRO 229 N -2.06 3.85 -0.16 8.40 0.04 -1.26 0.41 135.00 144.22 1sie s PRO 229 Ca -0.08 2.41 -0.16 0.00 0.04 0.00 0.00 61.00 63.21 1sie s PRO 229 Cb -0.06 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1sie s PRO 229 CO -0.02 -1.28 0.38 0.34 0.04 0.00 0.00 177.00 176.46 1sie s ASP 230 N 5.47 6.52 -1.19 6.66 2.15 0.11 -4.73 116.67 131.67 1sie s ASP 230 Ca 0.91 0.61 -0.21 0.00 0.43 0.00 0.00 52.55 54.29 1sie s ASP 230 Cb -0.39 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1sie s ASP 230 CO 0.39 0.02 1.77 -2.16 -0.17 0.00 0.00 175.17 175.02 1sie s PRO 231 N 0.75 3.34 0.66 4.34 0.04 -1.26 -4.79 135.00 138.08 1sie s PRO 231 Ca 0.20 -1.46 -0.17 0.00 0.04 0.00 0.00 61.00 59.62 1sie s PRO 231 Cb -0.14 -5.38 -0.00 0.00 0.04 0.00 0.00 34.50 29.02 1sie s PRO 231 CO 0.07 -2.88 1.22 0.00 0.04 0.00 0.00 177.00 175.46 1sie s ALA 232 N 6.94 2.36 0.31 8.56 0.00 -1.26 -4.83 121.76 133.83 1sie s ALA 232 Ca 0.59 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1sie s ALA 232 Cb 0.01 -3.48 0.79 0.00 0.00 0.00 0.00 23.12 20.44 1sie s ALA 232 CO 0.06 -1.51 1.58 1.57 0.00 0.00 0.00 175.76 177.46 1sie h LYS 233 N 0.37 0.03 -5.64 0.00 5.09 -2.05 -3.40 116.57 110.97 1sie h LYS 233 Ca -0.49 -0.00 -0.46 0.00 0.09 0.00 0.00 60.65 59.78 1sie h LYS 233 Cb 1.30 -0.01 -0.15 0.00 0.10 0.00 0.00 32.23 33.47 1sie h LYS 233 CO 0.53 0.02 -0.75 -0.80 -2.09 0.00 0.00 179.45 176.36 1sie s ASN 234 N -4.98 2.57 -0.18 7.07 0.01 -1.26 -5.17 114.94 113.00 1sie s ASN 234 Ca -0.12 -0.97 -0.28 0.00 -0.71 0.00 0.00 52.86 50.77 1sie s ASN 234 Cb 0.29 -0.14 0.09 0.00 0.41 0.00 0.00 41.25 41.90 1sie s ASN 234 CO 0.78 -0.14 0.82 -0.70 -1.51 0.00 0.00 177.10 176.35 1sie s GLU 235 N -3.40 0.80 -0.12 -0.60 2.56 -1.26 -5.04 118.70 111.64 1sie s GLU 235 Ca 0.20 0.54 0.15 0.00 0.00 0.00 0.00 54.97 55.86 1sie s GLU 235 Cb -0.02 0.38 0.28 0.00 2.00 0.00 0.00 34.13 36.78 1sie s GLU 235 CO 0.07 -0.18 1.14 -1.71 -0.56 0.00 0.00 175.26 174.02 1sie n ASN 236 N 1.69 1.79 -4.43 -1.70 5.15 -1.26 -4.98 115.26 111.51 1sie n ASN 236 Ca -0.15 -3.05 -0.22 0.00 -0.60 0.00 0.00 54.58 50.56 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 -2.37 1.93 0.02 -0.44 2.01 -1.26 -1.87 115.64 113.66 1sie s THR 237 Ca 0.29 -2.22 0.03 0.00 0.31 0.00 0.00 61.69 60.10 1sie s THR 237 Cb 0.27 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1sie s THR 237 CO -0.01 -0.38 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.30 1sie s ARG 238 N -3.64 0.75 0.24 4.92 1.81 -0.75 -4.94 118.95 117.33 1sie s ARG 238 Ca 0.28 -0.57 -0.20 0.00 -1.72 0.00 0.00 55.73 53.52 1sie s ARG 238 Cb 0.01 -0.70 0.03 0.00 -0.45 0.00 0.00 34.95 33.83 1sie s ARG 238 CO 0.12 0.18 0.63 1.52 -0.68 0.00 0.00 175.30 177.06 1sie s TYR 239 N -0.69 -0.17 0.04 -0.53 1.13 -1.26 -2.07 117.35 113.81 1sie s TYR 239 Ca 0.00 -0.22 -0.29 0.00 -1.41 0.00 0.00 57.07 55.16 1sie s TYR 239 Cb -0.06 0.55 0.10 0.00 -1.10 0.00 0.00 41.96 41.45 1sie s TYR 239 CO 0.00 -1.07 1.18 -0.59 -2.51 0.00 0.00 175.55 172.56 1sie s PHE 240 N -3.89 -0.07 -5.00 -3.49 -0.12 0.12 -5.00 117.98 100.53 1sie s PHE 240 Ca 0.10 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 1sie s PHE 240 Cb -0.03 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1sie s PHE 240 CO 0.02 -0.46 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 1sie n GLY 241 N -0.49 -1.96 3.56 1.99 0.00 -1.26 0.82 105.19 107.84 1sie n GLY 241 Ca -0.08 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.52 -0.68 0.07 1.61 6.03 -0.66 -4.95 114.94 113.83 1sie s ASN 242 Ca 0.00 1.04 -0.09 0.00 -1.03 0.00 0.00 52.86 52.78 1sie s ASN 242 Cb 0.00 0.97 -0.06 0.00 -3.03 0.00 0.00 41.25 39.13 1sie s ASN 242 CO 0.00 -0.43 0.37 -0.47 -2.03 0.00 0.00 177.10 174.55 1sie s TYR 243 N -0.43 3.58 -0.40 1.54 5.04 -1.26 -3.73 117.35 121.70 1sie s TYR 243 Ca -0.06 0.74 0.03 0.00 -2.44 0.00 0.00 57.07 55.35 1sie s TYR 243 Cb -0.03 -2.12 0.16 0.00 0.35 0.00 0.00 41.96 40.32 1sie s TYR 243 CO 0.05 0.54 0.32 0.99 -1.34 0.00 0.00 175.55 176.12 1sie s THR 244 N -1.38 0.16 1.00 4.34 2.01 -0.67 -5.02 115.64 116.08 1sie s THR 244 Ca 0.32 -2.17 -0.12 0.00 0.31 0.00 0.00 61.69 60.02 1sie s THR 244 Cb -0.14 -1.10 0.19 0.00 0.01 0.00 0.00 72.50 71.45 1sie s THR 244 CO 0.18 -1.06 1.08 -0.83 -0.69 0.00 0.00 174.62 173.30 1sie s GLY 245 N 0.49 1.58 0.00 4.40 0.00 -1.26 -0.45 107.32 112.08 1sie s GLY 245 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1sie s GLY 245 CO -0.12 0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.00 1sie n GLY 246 N -0.66 3.53 0.13 0.20 0.00 -1.26 -4.69 105.19 102.43 1sie n GLY 246 Ca 0.06 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.45 1.59 -0.01 2.61 -2.24 -1.26 0.43 114.28 113.95 1sie n THR 247 Ca 0.00 -0.43 0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1sie n THR 247 Cb 0.00 -1.75 -0.16 0.00 -2.10 0.00 0.00 70.33 66.32 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 -3.81 0.04 0.00 4.28 -2.24 -1.26 -3.37 114.28 107.93 1sie n THR 248 Ca -0.41 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1sie n THR 248 Cb 0.92 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 -2.23 0.00 -2.23 4.28 -1.04 -1.26 -3.98 114.28 107.82 1sie n THR 249 Ca -0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 1sie n THR 249 Cb 0.55 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 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 4.44 0.33 -2.82 0.02 -1.26 -0.29 135.00 135.41 1sie s PRO 250 Ca 0.00 2.07 -0.27 0.00 0.02 0.00 0.00 61.00 62.82 1sie s PRO 250 Cb 0.00 -3.13 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 1sie s PRO 250 CO 0.00 -0.10 1.07 -2.14 -0.33 0.00 0.00 177.00 175.51 1sie s PRO 251 N -1.31 4.46 0.01 5.54 0.02 -1.26 -4.95 135.00 137.51 1sie s PRO 251 Ca 0.49 1.68 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1sie s PRO 251 Cb -0.37 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.21 1sie s PRO 251 CO 0.46 0.08 -0.03 0.08 -0.33 0.00 0.00 177.00 177.26 1sie s VAL 252 N -1.36 0.22 0.34 3.83 1.01 -1.26 -5.14 120.40 118.05 1sie s VAL 252 Ca 0.50 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1sie s VAL 252 Cb -0.28 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1sie s VAL 252 CO 0.35 -0.18 0.50 -0.22 0.00 0.00 0.00 175.10 175.55 1sie s LEU 253 N -0.72 0.91 -0.60 3.92 2.96 -1.26 -5.14 118.68 118.76 1sie s LEU 253 Ca -0.06 -1.44 0.06 0.00 -0.22 0.00 0.00 54.13 52.47 1sie s LEU 253 Cb -0.05 1.58 0.25 0.00 0.50 0.00 0.00 46.19 48.47 1sie s LEU 253 CO -0.00 -1.32 0.70 0.00 -1.32 0.00 0.00 176.35 174.41 1sie n GLN 254 N -0.56 2.21 -1.55 1.98 1.13 -1.26 -5.04 117.38 114.29 1sie n GLN 254 Ca 0.00 -4.43 -0.14 0.00 -1.94 0.00 0.00 57.00 50.49 1sie n GLN 254 Cb 0.61 -2.09 -0.09 0.00 0.11 0.00 0.00 30.24 28.79 1sie n GLN 254 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1sie n PHE 255 N 0.98 1.04 -3.64 1.08 3.72 -1.26 -4.84 117.46 114.54 1sie n PHE 255 Ca 0.28 -0.04 -0.08 0.00 -0.05 0.00 0.00 57.45 57.56 1sie n PHE 255 Cb 0.43 -2.47 -0.07 0.00 -0.94 0.00 0.00 39.48 36.43 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 14.30 0.00 0.00 4.37 -1.32 -1.26 -5.03 115.64 126.71 1sie s THR 256 Ca 0.92 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.40 1sie s THR 256 Cb -0.16 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1sie s THR 256 CO 0.13 0.00 0.80 -3.20 -2.21 0.00 0.00 174.62 170.14 1sie n ASN 257 N 3.31 0.00 0.00 8.08 2.85 -1.26 -4.48 115.26 123.75 1sie n ASN 257 Ca -0.16 0.87 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 1sie n ASN 257 Cb 0.57 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1sie n ASN 257 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1sie n THR 258 N -1.84 0.00 -3.92 -0.44 -1.04 -1.26 -4.85 114.28 100.92 1sie n THR 258 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1sie n THR 258 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1sie n THR 258 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1sie s LEU 259 N -6.29 4.35 0.31 -4.42 -0.00 -1.26 -5.13 118.68 106.23 1sie s LEU 259 Ca 0.00 0.26 0.09 0.00 -0.00 0.00 0.00 54.13 54.47 1sie s LEU 259 Cb 0.00 -2.95 -0.04 0.00 -0.00 0.00 0.00 46.19 43.20 1sie s LEU 259 CO 0.00 0.16 0.09 -0.89 -0.00 0.00 0.00 176.35 175.72 1sie s THR 260 N -1.52 3.28 -0.00 5.48 2.01 -1.26 -4.66 115.64 118.96 1sie s THR 260 Ca 0.35 -1.75 0.02 0.00 0.31 0.00 0.00 61.69 60.61 1sie s THR 260 Cb -0.13 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.41 1sie s THR 260 CO 0.28 -0.26 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.00 1sie s THR 261 N -2.37 0.41 -0.30 -0.82 2.01 -0.63 -4.91 115.64 109.03 1sie s THR 261 Ca 0.35 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 1sie s THR 261 Cb -0.04 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1sie s THR 261 CO 0.22 0.11 0.36 -0.69 -0.69 0.00 0.00 174.62 173.93 1sie s VAL 262 N -0.14 5.17 0.01 3.82 1.01 -1.26 0.88 120.40 129.90 1sie s VAL 262 Ca 0.02 0.32 0.31 0.00 0.00 0.00 0.00 61.98 62.63 1sie s VAL 262 Cb -0.02 -3.75 0.38 0.00 0.00 0.00 0.00 36.38 32.98 1sie s VAL 262 CO -0.00 0.04 1.91 -0.07 0.00 0.00 0.00 175.10 176.98 1sie h LEU 263 N 8.67 0.00 -9.22 3.92 3.38 0.16 -3.44 115.31 118.78 1sie h LEU 263 Ca -0.31 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.96 1sie h LEU 263 Cb 1.15 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.95 1sie h LEU 263 CO 0.66 0.01 0.53 0.18 0.09 0.00 0.00 178.44 179.91 1sie n LEU 264 N -3.11 1.69 -4.95 1.67 4.32 -0.60 -3.59 117.00 112.44 1sie n LEU 264 Ca 0.01 1.11 -0.27 0.00 -0.02 0.00 0.00 56.01 56.85 1sie n LEU 264 Cb 0.35 -1.16 0.12 0.00 -1.62 0.00 0.00 43.42 41.11 1sie n LEU 264 CO 0.29 -0.97 0.70 1.51 -1.22 0.00 0.00 177.39 177.69 1sie s ASP 265 N 1.14 4.10 0.60 -1.43 -4.77 -1.26 -4.58 116.67 110.46 1sie s ASP 265 Ca 0.88 0.19 0.29 0.00 -3.30 0.00 0.00 52.55 50.61 1sie s ASP 265 Cb -1.01 -0.56 1.48 0.00 -1.09 0.00 0.00 42.92 41.74 1sie s ASP 265 CO 0.52 -2.07 1.88 -0.33 0.70 0.00 0.00 175.17 175.87 1sie h GLU 266 N -0.96 0.00 -0.15 2.11 5.08 -1.98 0.37 114.58 119.05 1sie h GLU 266 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1sie h GLU 266 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1sie h GLU 266 CO 0.48 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 1sie n ASN 267 N -3.56 2.43 -1.42 1.42 3.02 -1.26 -4.98 115.26 110.90 1sie n ASN 267 Ca 0.07 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1sie n ASN 267 Cb 0.64 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.71 -0.47 1.21 7.41 0.00 0.13 -5.02 105.19 109.17 1sie n GLY 268 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.67 0.00 -4.50 1.61 0.31 -1.25 -4.85 118.33 108.97 1sie n VAL 269 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sie n VAL 269 Cb 0.19 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 -0.27 -0.26 3.99 2.92 0.00 -1.24 -4.62 105.19 105.71 1sie n GLY 270 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 2.28 0.02 1.61 0.02 -0.98 -4.63 135.00 133.32 1sie s PRO 271 Ca 0.00 -0.98 0.04 0.00 0.02 0.00 0.00 61.00 60.08 1sie s PRO 271 Cb 0.00 -2.47 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 1sie s PRO 271 CO 0.00 -0.92 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.12 1sie s LEU 272 N -4.84 2.12 -0.39 -5.54 1.02 -1.26 -0.18 118.68 109.61 1sie s LEU 272 Ca 0.60 -0.36 -0.20 0.00 0.02 0.00 0.00 54.13 54.19 1sie s LEU 272 Cb -0.08 -0.52 0.01 0.00 0.02 0.00 0.00 46.19 45.61 1sie s LEU 272 CO 0.40 0.04 0.59 0.00 0.02 0.00 0.00 176.35 177.40 1sie s LYS 274 N 2.61 4.00 5.93 0.00 1.02 -0.10 -4.31 119.74 128.89 1sie s LYS 274 Ca 0.21 1.50 0.00 0.00 0.02 0.00 0.00 55.97 57.70 1sie s LYS 274 Cb -0.15 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1sie s LYS 274 CO 0.16 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1sie n GLY 275 N 0.18 1.94 2.15 -3.33 0.00 -1.26 -1.06 105.19 103.81 1sie n GLY 275 Ca 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 13.10 1.57 -3.28 1.61 -0.58 -1.26 -4.97 120.64 126.83 1sie n GLU 276 Ca 0.00 -3.20 -0.38 0.00 -0.42 0.00 0.00 57.16 53.16 1sie n GLU 276 Cb 0.00 -1.29 -0.06 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.24 2.52 -0.24 0.62 0.00 -0.22 -0.84 107.32 105.92 1sie s GLY 277 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.97 1sie s GLY 277 CO -0.06 0.67 -0.08 -2.27 0.00 0.00 0.00 173.10 171.36 1sie s LEU 278 N -0.05 3.04 -0.31 0.66 0.20 -0.56 -4.24 118.68 117.42 1sie s LEU 278 Ca 0.28 -0.83 -0.09 0.00 0.69 0.00 0.00 54.13 54.18 1sie s LEU 278 Cb -0.17 -1.64 -0.00 0.00 -0.43 0.00 0.00 46.19 43.95 1sie s LEU 278 CO 0.14 -0.11 0.15 -0.31 -0.29 0.00 0.00 176.35 175.93 1sie s TYR 279 N 1.32 3.18 -0.02 5.38 1.51 0.26 0.18 117.35 129.16 1sie s TYR 279 Ca 0.01 -0.66 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1sie s TYR 279 Cb -0.16 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 1sie s TYR 279 CO -0.06 -0.49 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.34 1sie s LEU 280 N 1.59 3.26 -0.23 -1.29 1.43 -0.65 -0.18 118.68 122.62 1sie s LEU 280 Ca 0.04 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.88 1sie s LEU 280 Cb -0.17 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.28 1sie s LEU 280 CO 0.06 0.31 0.59 -0.44 0.23 0.00 0.00 176.35 177.09 1sie s SER 281 N -1.28 -0.67 0.07 2.29 0.01 -0.62 -0.49 113.70 113.02 1sie s SER 281 Ca 0.16 1.22 -0.06 0.00 1.31 0.00 0.00 55.95 58.58 1sie s SER 281 Cb -0.11 1.19 0.02 0.00 0.21 0.00 0.00 66.02 67.33 1sie s SER 281 CO 0.06 -0.21 0.29 0.00 0.41 0.00 0.00 173.24 173.79 1sie s VAL 283 N -2.49 0.00 -0.45 0.00 -7.23 0.61 -1.95 120.40 108.90 1sie s VAL 283 Ca 0.06 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.30 1sie s VAL 283 Cb -0.01 -1.00 0.24 0.00 0.56 0.00 0.00 36.38 36.17 1sie s VAL 283 CO 0.02 0.00 0.73 0.47 -0.31 0.00 0.00 175.10 176.01 1sie n ASP 284 N 1.05 -1.71 -4.68 4.85 8.00 -1.18 -1.99 116.55 120.89 1sie n ASP 284 Ca -0.13 -3.04 -0.42 0.00 0.71 0.00 0.00 54.79 51.91 1sie n ASP 284 Cb 0.57 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 42.49 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 4.13 -0.09 0.53 1.09 0.43 -2.26 121.20 125.01 1sie s ILE 285 Ca 0.33 1.45 0.06 0.00 -1.10 0.00 0.00 60.65 61.38 1sie s ILE 285 Cb 0.19 -3.93 -0.24 0.00 -1.06 0.00 0.00 42.46 37.42 1sie s ILE 285 CO -0.19 -0.03 0.50 0.23 -0.10 0.00 0.00 174.94 175.34 1sie n MET 286 N 5.59 0.68 0.00 2.79 2.81 0.12 -0.95 117.12 128.16 1sie n MET 286 Ca 0.12 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1sie n MET 286 Cb 0.45 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 1.75 1.01 3.74 3.03 0.00 -1.15 -4.40 105.19 109.17 1sie n GLY 287 Ca -0.24 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1sie n GLY 287 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sie s TRP 288 N -1.06 3.05 -0.20 1.61 0.23 0.05 -0.42 118.94 122.21 1sie s TRP 288 Ca 0.00 0.93 -0.07 0.00 -2.03 0.00 0.00 56.10 54.93 1sie s TRP 288 Cb 0.00 -3.83 -0.04 0.00 0.03 0.00 0.00 33.47 29.64 1sie s TRP 288 CO 0.00 -2.81 0.06 0.50 0.96 0.00 0.00 176.95 175.66 1sie s ARG 289 N 0.12 3.83 -0.22 4.98 3.52 -1.01 -2.95 118.95 127.22 1sie s ARG 289 Ca 0.62 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.78 1sie s ARG 289 Cb -0.42 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1sie s ARG 289 CO 0.39 0.11 -0.06 0.08 -0.81 0.00 0.00 175.30 175.01 1sie s VAL 290 N 0.80 3.18 -0.04 7.11 1.01 -1.26 -2.62 120.40 128.58 1sie s VAL 290 Ca 0.03 -0.63 -0.37 0.00 0.00 0.00 0.00 61.98 61.01 1sie s VAL 290 Cb -0.14 -2.47 -0.15 0.00 0.00 0.00 0.00 36.38 33.62 1sie s VAL 290 CO 0.02 0.39 1.59 0.35 0.00 0.00 0.00 175.10 177.45 1sie n THR 291 N 4.76 0.18 -2.05 3.92 -2.24 -1.06 -2.06 114.28 115.73 1sie n THR 291 Ca -0.18 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.28 1sie n THR 291 Cb 0.50 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 1sie n THR 291 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1sie s ARG 292 N 2.04 2.58 0.00 -0.78 3.00 -1.14 -3.22 118.95 121.43 1sie s ARG 292 Ca 0.89 -0.17 0.00 0.00 -1.00 0.00 0.00 55.73 55.45 1sie s ARG 292 Cb -0.91 -4.97 0.00 0.00 0.00 0.00 0.00 34.95 29.08 1sie s ARG 292 CO 0.52 -3.27 0.00 -1.71 0.00 0.00 0.00 175.30 170.84 1sie n ASN 293 N 13.72 0.00 0.00 -2.12 2.85 -1.26 -4.75 115.26 123.70 1sie n ASN 293 Ca 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1sie n ASN 293 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 0.00 -2.81 1.20 4.01 -1.20 -5.05 117.16 113.32 1sie n TYR 294 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1sie n TYR 294 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.00 1.92 -4.52 7.72 9.92 -1.26 -4.65 116.55 125.68 1sie n ASP 295 Ca 0.00 -3.00 -0.42 0.00 -0.53 0.00 0.00 54.79 50.84 1sie n ASP 295 Cb 0.00 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 39.90 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 -3.34 4.17 -0.73 2.53 1.01 -1.26 -4.82 120.40 117.96 1sie s VAL 296 Ca 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1sie s VAL 296 Cb 0.41 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1sie s VAL 296 CO -0.04 -1.79 0.38 1.41 0.00 0.00 0.00 175.10 175.07 1sie n HIS 297 N 8.16 0.00 -1.58 5.22 8.25 -1.26 -2.57 115.22 131.44 1sie n HIS 297 Ca 0.28 -0.08 -0.55 0.00 -0.26 0.00 0.00 57.72 57.10 1sie n HIS 297 Cb 0.50 -0.10 -0.08 0.00 1.12 0.00 0.00 29.99 31.44 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 0.33 1.83 -3.25 4.41 1.44 -1.08 -3.51 115.22 115.39 1sie n HIS 298 Ca 0.00 0.47 -0.26 0.00 -2.01 0.00 0.00 57.72 55.91 1sie n HIS 298 Cb 0.19 -2.47 -0.02 0.00 0.12 0.00 0.00 29.99 27.81 1sie n HIS 298 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1sie s TRP 299 N 5.04 3.50 0.09 -1.40 -0.00 -1.26 -2.40 118.94 122.52 1sie s TRP 299 Ca 1.04 0.53 0.03 0.00 -0.00 0.00 0.00 56.10 57.70 1sie s TRP 299 Cb -1.04 -2.04 -0.04 0.00 -0.00 0.00 0.00 33.47 30.35 1sie s TRP 299 CO 0.60 0.08 0.12 0.50 -0.00 0.00 0.00 176.95 178.26 1sie s ARG 300 N -4.09 3.02 0.30 3.25 3.52 0.44 0.09 118.95 125.49 1sie s ARG 300 Ca 0.43 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 1sie s ARG 300 Cb -0.10 -2.78 -0.06 0.00 -1.56 0.00 0.00 34.95 30.44 1sie s ARG 300 CO 0.35 0.56 0.04 0.20 -0.81 0.00 0.00 175.30 175.64 1sie s GLY 301 N -2.59 1.96 0.24 8.12 0.00 -1.25 0.13 107.32 113.93 1sie s GLY 301 Ca 0.31 -1.99 0.04 0.00 0.00 0.00 0.00 44.72 43.08 1sie s GLY 301 CO 0.24 -1.79 -0.02 1.08 0.00 0.00 0.00 173.10 172.61 1sie s LEU 302 N -3.45 2.28 0.50 0.66 1.43 -0.96 -4.88 118.68 114.26 1sie s LEU 302 Ca 0.35 -1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.23 1sie s LEU 302 Cb 0.08 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.94 1sie s LEU 302 CO 0.14 -0.46 0.76 -2.16 0.23 0.00 0.00 176.35 174.86 1sie s PRO 303 N -3.82 3.02 0.08 1.29 0.04 -1.26 -4.06 135.00 130.29 1sie s PRO 303 Ca 0.28 -0.30 0.06 0.00 0.04 0.00 0.00 61.00 61.08 1sie s PRO 303 Cb 0.05 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1sie s PRO 303 CO 0.09 -0.43 -0.17 0.50 0.04 0.00 0.00 177.00 177.03 1sie s ARG 304 N -4.72 0.94 0.01 4.56 3.52 -0.09 -1.64 118.95 121.53 1sie s ARG 304 Ca 0.50 -1.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 1sie s ARG 304 Cb -0.10 -1.05 -0.03 0.00 -1.56 0.00 0.00 34.95 32.21 1sie s ARG 304 CO 0.41 0.24 -0.10 -0.47 -0.81 0.00 0.00 175.30 174.57 1sie s TYR 305 N -1.22 2.80 0.03 5.12 6.14 0.11 -1.07 117.35 129.26 1sie s TYR 305 Ca 0.01 -0.09 0.05 0.00 0.64 0.00 0.00 57.07 57.68 1sie s TYR 305 Cb -0.10 -1.58 -0.02 0.00 0.42 0.00 0.00 41.96 40.68 1sie s TYR 305 CO 0.03 0.33 -0.14 -0.06 0.64 0.00 0.00 175.55 176.35 1sie s PHE 306 N -0.96 1.22 -0.39 4.97 0.40 0.11 -1.97 117.98 121.36 1sie s PHE 306 Ca 0.16 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1sie s PHE 306 Cb -0.11 -0.74 0.14 0.00 0.51 0.00 0.00 43.02 42.82 1sie s PHE 306 CO 0.06 0.02 0.22 0.21 0.70 0.00 0.00 175.22 176.44 1sie s LYS 307 N -0.97 0.90 -0.10 0.44 2.20 0.34 -0.80 119.74 121.75 1sie s LYS 307 Ca 0.02 -1.64 -0.19 0.00 -0.36 0.00 0.00 55.97 53.80 1sie s LYS 307 Cb -0.07 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1sie s LYS 307 CO 0.01 -1.18 0.51 0.42 -0.36 0.00 0.00 175.35 174.75 1sie s ILE 308 N 0.75 5.15 -0.23 5.43 1.09 -0.40 -1.49 121.20 131.48 1sie s ILE 308 Ca 0.18 1.03 -0.05 0.00 -1.10 0.00 0.00 60.65 60.71 1sie s ILE 308 Cb -0.24 -3.85 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1sie s ILE 308 CO 0.00 0.33 -0.00 -0.89 -0.10 0.00 0.00 174.94 174.28 1sie s THR 309 N 0.54 3.67 0.03 2.92 2.01 -0.66 -1.92 115.64 122.23 1sie s THR 309 Ca 0.28 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1sie s THR 309 Cb -0.16 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.62 1sie s THR 309 CO 0.12 0.37 -0.01 -1.48 -0.69 0.00 0.00 174.62 172.92 1sie s LEU 310 N 1.52 2.25 0.00 4.42 0.05 -0.71 -0.78 118.68 125.42 1sie s LEU 310 Ca 0.06 -0.62 0.01 0.00 0.05 0.00 0.00 54.13 53.63 1sie s LEU 310 Cb -0.15 0.18 -0.00 0.00 -2.05 0.00 0.00 46.19 44.17 1sie s LEU 310 CO -0.01 -0.40 0.03 -2.11 -0.55 0.00 0.00 176.35 173.32 1sie n ARG 311 N 1.15 0.75 -3.63 1.48 1.85 -0.25 -2.41 116.66 115.60 1sie n ARG 311 Ca -0.21 -3.58 -0.38 0.00 -1.00 0.00 0.00 57.85 52.67 1sie n ARG 311 Cb 0.57 1.18 -0.11 0.00 -1.05 0.00 0.00 32.46 33.04 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 -3.74 3.65 -0.03 2.89 1.02 -1.26 0.19 119.74 122.45 1sie s LYS 312 Ca 0.05 -0.51 0.04 0.00 0.02 0.00 0.00 55.97 55.56 1sie s LYS 312 Cb 0.00 -3.59 -0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1sie s LYS 312 CO 0.03 -0.29 -0.15 0.50 -0.92 0.00 0.00 175.35 174.52 1sie s ARG 313 N 1.69 1.47 -0.03 1.68 3.52 0.17 -4.86 118.95 122.58 1sie s ARG 313 Ca 0.06 -0.53 -0.30 0.00 -0.13 0.00 0.00 55.73 54.84 1sie s ARG 313 Cb -0.16 -1.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 1sie s ARG 313 CO 0.08 0.24 1.06 -1.58 -0.81 0.00 0.00 175.30 174.29 1sie s TRP 314 N -0.02 3.49 0.45 5.12 0.23 -1.26 0.91 118.94 127.85 1sie s TRP 314 Ca -0.01 1.51 0.03 0.00 -2.03 0.00 0.00 56.10 55.60 1sie s TRP 314 Cb -0.09 -3.24 -0.02 0.00 0.03 0.00 0.00 33.47 30.14 1sie s TRP 314 CO 0.01 -0.52 0.09 0.14 0.96 0.00 0.00 176.95 177.63 1sie s VAL 315 N 1.56 0.75 -0.16 4.03 -7.23 0.34 -4.94 120.40 114.76 1sie s VAL 315 Ca 0.53 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 1sie s VAL 315 Cb -0.22 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1sie s VAL 315 CO 0.24 0.00 0.19 -0.75 -0.31 0.00 0.00 175.10 174.47 1sie s LYS 316 N -3.75 4.01 0.13 4.82 2.20 -1.26 -1.37 119.74 124.51 1sie s LYS 316 Ca 0.16 -0.08 -0.31 0.00 -0.36 0.00 0.00 55.97 55.38 1sie s LYS 316 Cb 0.02 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.88 1sie s LYS 316 CO 0.10 0.43 1.81 1.21 -0.36 0.00 0.00 175.35 178.54 1sie s ASN 317 N -0.04 6.42 -0.02 1.43 3.04 -1.26 -4.80 114.94 119.71 1sie s ASN 317 Ca 0.13 2.76 0.00 0.00 0.04 0.00 0.00 52.86 55.79 1sie s ASN 317 Cb -0.12 -2.57 0.03 0.00 -1.54 0.00 0.00 41.25 37.05 1sie s ASN 317 CO 0.02 -1.00 0.91 -0.81 -3.04 0.00 0.00 177.10 173.18 1sie n PRO 318 N 5.50 1.08 -4.26 0.43 -0.04 -1.26 -4.89 135.00 131.57 1sie n PRO 318 Ca 0.17 -0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.37 1sie n PRO 318 Cb 0.38 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.38 1.30 -0.45 0.54 2.02 -1.26 -5.09 117.35 114.03 1sie s TYR 319 Ca 0.02 -1.17 0.04 0.00 -0.37 0.00 0.00 57.07 55.59 1sie s TYR 319 Cb 0.02 -0.74 0.12 0.00 -0.40 0.00 0.00 41.96 40.96 1sie s TYR 319 CO 0.01 -0.37 0.19 -1.25 -1.57 0.00 0.00 175.55 172.56 1sie s PRO 320 N -4.02 1.70 0.26 -1.71 0.04 -1.26 -5.03 135.00 124.98 1sie s PRO 320 Ca 0.32 -2.27 -0.08 0.00 0.04 0.00 0.00 61.00 59.01 1sie s PRO 320 Cb 0.07 -3.12 0.42 0.00 0.04 0.00 0.00 34.50 31.92 1sie s PRO 320 CO 0.09 -1.06 1.59 0.52 0.04 0.00 0.00 177.00 178.18 1sie h MET 321 N 6.92 0.01 -0.00 4.56 2.86 -2.00 0.95 114.93 128.23 1sie h MET 321 Ca -0.06 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sie h MET 321 Cb 0.94 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1sie h MET 321 CO 0.61 0.01 0.00 0.00 1.06 0.00 0.00 176.91 178.58 1sie n ALA 322 N -3.34 1.70 0.31 6.32 0.00 -1.26 -0.93 120.51 123.30 1sie n ALA 322 Ca 0.14 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.78 1sie n ALA 322 Cb 0.47 -1.00 0.95 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.78 0.00 4.64 0.53 0.95 113.55 120.45 1sie h SER 323 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1sie h SER 323 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1sie h SER 323 CO 0.00 0.00 -0.80 0.17 -0.87 0.00 0.00 176.83 175.33 1sie h LEU 324 N 0.00 0.02 -0.78 5.97 8.10 -1.23 0.56 115.31 127.95 1sie h LEU 324 Ca 0.00 -0.02 -0.11 0.00 0.11 0.00 0.00 57.88 57.87 1sie h LEU 324 Cb 0.23 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1sie h LEU 324 CO 0.00 0.82 -0.22 -0.29 -4.11 0.00 0.00 178.44 174.64 1sie h ILE 325 N 0.01 1.27 -0.40 0.15 -0.00 0.62 1.08 117.51 120.23 1sie h ILE 325 Ca -0.01 -1.29 -0.14 0.00 -0.00 0.00 0.00 64.86 63.41 1sie h ILE 325 Cb 1.42 1.23 -0.01 0.00 -0.00 0.00 0.00 36.82 39.46 1sie h ILE 325 CO 0.11 0.43 -0.30 0.28 -0.00 0.00 0.00 178.15 178.66 1sie h SER 326 N 0.60 0.96 -0.62 2.19 0.02 -0.69 -0.03 113.55 115.97 1sie h SER 326 Ca 0.09 -0.44 0.05 0.00 -0.84 0.00 0.00 61.79 60.65 1sie h SER 326 Cb 0.70 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 1sie h SER 326 CO 0.05 1.20 0.34 0.28 -1.14 0.00 0.00 176.83 177.56 1sie h SER 327 N 0.73 0.51 -0.16 3.07 0.02 0.19 -0.30 113.55 117.60 1sie h SER 327 Ca 0.07 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1sie h SER 327 Cb 0.89 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1sie h SER 327 CO 0.08 0.34 -0.01 0.25 -1.14 0.00 0.00 176.83 176.34 1sie h LEU 328 N 0.64 -0.09 -1.29 5.07 5.85 0.19 -1.34 115.31 124.34 1sie h LEU 328 Ca 0.28 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1sie h LEU 328 Cb 0.16 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1sie h LEU 328 CO -0.17 -0.02 0.43 -0.26 -0.34 0.00 0.00 178.44 178.07 1sie h PHE 329 N 0.03 0.87 0.00 1.25 0.04 -0.15 -1.25 116.94 117.73 1sie h PHE 329 Ca 0.07 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1sie h PHE 329 Cb 0.10 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1sie h PHE 329 CO -0.17 0.56 0.00 -1.71 -0.60 0.00 0.00 178.31 176.40 1sie n ASN 330 N -4.41 0.12 -0.04 2.17 5.15 -0.21 -1.39 115.26 116.65 1sie n ASN 330 Ca 0.07 0.52 -0.02 0.00 -0.60 0.00 0.00 54.58 54.56 1sie n ASN 330 Cb 0.05 -0.55 -0.01 0.00 -0.53 0.00 0.00 39.78 38.75 1sie n ASN 330 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1sie h ASN 331 N 0.00 0.00 0.00 1.20 -0.26 -0.73 -3.32 115.58 112.47 1sie h ASN 331 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1sie h ASN 331 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1sie h ASN 331 CO 0.00 0.45 0.29 0.00 -1.06 0.00 0.00 177.43 177.11 1sie h MET 332 N -0.72 0.00 -4.28 0.81 -0.00 -1.36 -3.36 114.93 106.02 1sie h MET 332 Ca 0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 59.70 58.96 1sie h MET 332 Cb 0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 31.60 31.55 1sie h MET 332 CO 0.00 0.00 -0.32 -0.51 -0.00 0.00 0.00 176.91 176.08 1sie s LEU 333 N -5.27 5.69 0.44 -0.10 2.01 -0.49 -5.07 118.68 115.90 1sie s LEU 333 Ca -0.03 -1.40 -0.21 0.00 0.01 0.00 0.00 54.13 52.50 1sie s LEU 333 Cb 0.07 -2.18 -0.13 0.00 0.01 0.00 0.00 46.19 43.96 1sie s LEU 333 CO 0.23 -0.67 0.36 -2.65 1.01 0.00 0.00 176.35 174.63 1sie n PRO 334 N 5.20 0.35 -3.46 1.29 -0.02 -1.26 -4.81 135.00 132.30 1sie n PRO 334 Ca -0.13 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 1sie n PRO 334 Cb 0.43 -1.34 -0.09 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.43 4.03 0.27 -0.52 -1.52 -1.26 -5.11 119.66 114.12 1sie s GLN 335 Ca 0.62 -0.03 -0.00 0.00 -1.95 0.00 0.00 55.36 54.00 1sie s GLN 335 Cb -0.59 -3.63 -0.04 0.00 -0.22 0.00 0.00 33.01 28.54 1sie s GLN 335 CO 0.60 -0.19 0.47 0.08 -0.25 0.00 0.00 175.29 175.99 1sie s VAL 336 N 1.79 5.15 -0.04 1.09 1.01 -1.26 -5.08 120.40 123.05 1sie s VAL 336 Ca 0.13 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1sie s VAL 336 Cb -0.15 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1sie s VAL 336 CO 0.09 -0.35 0.07 0.00 0.00 0.00 0.00 175.10 174.92 1sie n GLN 337 N -1.17 1.94 0.00 2.72 3.00 -1.26 -5.07 117.38 117.54 1sie n GLN 337 Ca -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1sie n GLN 337 Cb 0.55 -1.16 0.00 0.00 0.00 0.00 0.00 30.24 29.62 1sie n GLN 337 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sie n GLY 338 N 2.42 -0.12 3.36 1.08 0.00 -1.26 -5.02 105.19 105.65 1sie n GLY 338 Ca -0.07 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1sie n GLY 338 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sie n GLN 339 N 1.25 -0.11 -1.84 1.61 6.02 -1.26 -4.84 117.38 118.21 1sie n GLN 339 Ca 0.00 0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.61 1sie n GLN 339 Cb 0.00 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 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 -3.15 2.51 -0.54 -1.09 0.04 -1.26 -4.89 135.00 126.62 1sie s PRO 340 Ca 0.56 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.69 1sie s PRO 340 Cb -0.24 -4.44 0.36 0.00 0.04 0.00 0.00 34.50 30.22 1sie s PRO 340 CO 0.68 -2.84 0.99 -1.33 0.04 0.00 0.00 177.00 174.54 1sie n MET 341 N 9.04 3.27 0.00 4.56 2.81 -1.26 -1.18 117.12 134.36 1sie n MET 341 Ca 0.27 -4.75 0.00 0.00 -1.81 0.00 0.00 57.70 51.41 1sie n MET 341 Cb 0.52 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 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 -0.31 0.00 0.00 0.03 2.13 -1.26 -5.00 120.64 116.24 1sie n GLU 342 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1sie n GLU 342 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1sie n GLU 342 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sie n GLY 343 N -1.10 -1.28 0.16 8.31 0.00 -1.26 -3.99 105.19 106.03 1sie n GLY 343 Ca 0.00 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 44.04 1sie n GLY 343 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sie h GLU 344 N 1.16 0.00 -0.49 1.61 4.81 -2.02 -3.32 114.58 116.32 1sie h GLU 344 Ca 0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 1sie h GLU 344 Cb 0.00 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.05 1sie h GLU 344 CO 0.00 0.01 -0.83 0.09 -0.73 0.00 0.00 179.01 177.55 1sie n ASN 345 N -2.87 3.38 -4.71 1.04 4.13 -1.26 -5.07 115.26 109.90 1sie n ASN 345 Ca 0.02 -3.34 -0.40 0.00 1.68 0.00 0.00 54.58 52.54 1sie n ASN 345 Cb 0.54 -0.40 0.03 0.00 -1.54 0.00 0.00 39.78 38.41 1sie n ASN 345 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1sie n THR 346 N -0.69 3.22 -1.11 3.41 5.66 -1.25 -4.83 114.28 118.69 1sie n THR 346 Ca 0.29 -0.50 -0.25 0.00 -3.05 0.00 0.00 64.05 60.55 1sie n THR 346 Cb 0.89 -1.58 0.14 0.00 -1.55 0.00 0.00 70.33 68.24 1sie n THR 346 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sie n GLN 347 N -0.52 2.25 -3.47 1.09 6.02 -0.33 -4.76 117.38 117.66 1sie n GLN 347 Ca 0.09 -2.84 -0.40 0.00 -0.01 0.00 0.00 57.00 53.83 1sie n GLN 347 Cb 0.43 -2.11 -0.10 0.00 1.02 0.00 0.00 30.24 29.47 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 -3.38 5.23 -0.06 5.09 1.01 -1.26 -4.94 120.40 122.09 1sie s VAL 348 Ca 0.54 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 1sie s VAL 348 Cb 0.45 -3.74 -0.27 0.00 0.00 0.00 0.00 36.38 32.82 1sie s VAL 348 CO 0.08 -0.00 0.92 -0.33 0.00 0.00 0.00 175.10 175.77 1sie h GLU 349 N 8.44 0.21 -2.78 2.72 4.39 -2.01 -3.50 114.58 122.06 1sie h GLU 349 Ca -0.31 -0.30 0.09 0.00 0.34 0.00 0.00 59.36 59.18 1sie h GLU 349 Cb 1.16 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 1sie h GLU 349 CO 0.65 1.09 0.31 -2.00 -1.16 0.00 0.00 179.01 177.90 1sie s GLU 350 N -2.64 1.52 0.10 2.33 2.56 -1.26 -5.17 118.70 116.13 1sie s GLU 350 Ca -0.15 -0.81 -0.13 0.00 0.00 0.00 0.00 54.97 53.87 1sie s GLU 350 Cb 0.00 0.54 0.02 0.00 2.00 0.00 0.00 34.13 36.69 1sie s GLU 350 CO 0.78 -0.70 0.32 0.08 -0.56 0.00 0.00 175.26 175.18 1sie s VAL 351 N -3.68 0.09 0.03 3.70 1.01 -1.26 -5.16 120.40 115.13 1sie s VAL 351 Ca 0.10 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1sie s VAL 351 Cb -0.04 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.26 1sie s VAL 351 CO 0.03 -0.43 0.77 0.00 0.00 0.00 0.00 175.10 175.47 1sie s ARG 352 N -3.53 0.99 0.02 2.72 1.70 -1.26 -5.16 118.95 114.42 1sie s ARG 352 Ca 0.02 -0.24 0.00 0.00 -0.47 0.00 0.00 55.73 55.04 1sie s ARG 352 Cb 0.02 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1sie s ARG 352 CO -0.10 -0.41 -0.03 0.14 -1.08 0.00 0.00 175.30 173.83 1sie s VAL 353 N -2.89 0.11 0.01 4.99 -7.23 -1.26 -5.14 120.40 108.99 1sie s VAL 353 Ca 0.01 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1sie s VAL 353 Cb -0.01 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.70 1sie s VAL 353 CO -0.07 -0.35 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.03 1sie s TYR 354 N -1.06 0.28 0.00 2.82 1.51 -1.26 -4.99 117.35 114.66 1sie s TYR 354 Ca -0.11 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1sie s TYR 354 Cb -0.07 -0.18 0.00 0.00 -0.11 0.00 0.00 41.96 41.60 1sie s TYR 354 CO -0.01 -0.05 0.00 -3.47 -1.11 0.00 0.00 175.55 170.91 1sie n ASP 355 N 2.50 1.08 -0.68 2.29 2.03 -1.26 -5.12 116.55 117.40 1sie n ASP 355 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1sie n ASP 355 Cb 0.58 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 0.83 1.61 2.78 0.27 0.00 -1.26 -5.10 105.19 104.32 1sie n GLY 356 Ca 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1sie n GLY 356 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sie s THR 357 N 2.17 -0.56 0.02 2.61 2.01 -1.26 -5.14 115.64 115.50 1sie s THR 357 Ca 0.00 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 1sie s THR 357 Cb 0.00 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1sie s THR 357 CO 0.00 -0.40 0.15 -1.83 -0.69 0.00 0.00 174.62 171.85 1sie s GLU 358 N 1.07 3.28 0.34 4.92 -1.05 -1.26 -5.06 118.70 120.95 1sie s GLU 358 Ca 0.24 -0.44 -0.29 0.00 -0.15 0.00 0.00 54.97 54.34 1sie s GLU 358 Cb -0.05 -2.98 -0.11 0.00 -0.44 0.00 0.00 34.13 30.56 1sie s GLU 358 CO -0.07 0.64 1.39 -2.14 0.95 0.00 0.00 175.26 176.03 1sie s PRO 359 N -2.10 4.25 -0.42 -4.83 0.02 -1.26 -4.79 135.00 125.87 1sie s PRO 359 Ca 0.29 2.37 -0.37 0.00 0.02 0.00 0.00 61.00 63.31 1sie s PRO 359 Cb -0.13 -3.03 -0.16 0.00 0.02 0.00 0.00 34.50 31.20 1sie s PRO 359 CO 0.21 -0.35 1.79 1.33 -0.33 0.00 0.00 177.00 179.64 1sie n VAL 360 N 0.77 0.00 -1.51 3.83 0.24 -1.26 -4.87 118.33 115.52 1sie n VAL 360 Ca 0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1sie n VAL 360 Cb 0.41 -0.42 0.08 0.00 -1.47 0.00 0.00 33.84 32.43 1sie n VAL 360 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1sie s PRO 361 N 4.99 2.41 0.00 7.34 0.04 -1.26 -5.05 135.00 143.47 1sie s PRO 361 Ca 1.01 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1sie s PRO 361 Cb -1.26 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1sie s PRO 361 CO 0.56 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1sie n GLY 362 N -1.92 0.01 3.58 0.56 0.00 -1.26 -4.69 105.19 101.47 1sie n GLY 362 Ca 0.07 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1sie n GLY 362 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sie s ASP 363 N -1.25 5.79 0.49 1.61 -1.08 -1.26 -4.83 116.67 116.14 1sie s ASP 363 Ca 0.00 0.75 0.15 0.00 -0.52 0.00 0.00 52.55 52.93 1sie s ASP 363 Cb 0.00 -2.53 1.15 0.00 -1.46 0.00 0.00 42.92 40.07 1sie s ASP 363 CO 0.00 -1.89 2.08 -0.65 0.52 0.00 0.00 175.17 175.23 1sie h PRO 364 N 12.96 0.01 -2.65 4.34 0.11 -2.01 -3.32 132.00 141.43 1sie h PRO 364 Ca -0.29 -0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.05 1sie h PRO 364 Cb 1.14 -0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.94 1sie h PRO 364 CO 1.12 0.09 0.53 -0.25 -0.21 0.00 0.00 178.00 179.28 1sie n ASP 365 N -4.44 6.06 -3.37 -2.05 9.92 -1.26 -4.93 116.55 116.48 1sie n ASP 365 Ca -0.03 -3.48 -0.14 0.00 -0.53 0.00 0.00 54.79 50.61 1sie n ASP 365 Cb 0.16 -1.12 -0.08 0.00 -0.64 0.00 0.00 41.12 39.43 1sie n ASP 365 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1sie s MET 366 N -3.04 0.35 0.00 -1.24 1.75 -1.25 -5.14 119.30 110.73 1sie s MET 366 Ca 0.35 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.76 1sie s MET 366 Cb 0.10 -0.54 0.00 0.00 2.84 0.00 0.00 34.83 37.23 1sie s MET 366 CO 0.04 -1.01 0.00 2.41 -0.65 0.00 0.00 175.02 175.80 1sie n THR 367 N 5.33 0.00 0.00 10.11 -1.04 -1.26 -5.05 114.28 122.36 1sie n THR 367 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1sie n THR 367 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1sie n THR 367 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1sie n ARG 368 N 0.00 0.00 -3.13 -2.82 -4.01 -1.26 -4.84 116.66 100.60 1sie n ARG 368 Ca 0.00 0.00 -0.40 0.00 -1.04 0.00 0.00 57.85 56.41 1sie n ARG 368 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 1sie n ARG 368 CO 0.00 0.00 0.00 -0.47 -3.04 0.00 0.00 177.63 174.12 1sie s TYR 369 N 0.00 3.45 -0.27 2.89 5.04 -1.26 -5.01 117.35 122.19 1sie s TYR 369 Ca 0.00 1.02 -0.25 0.00 -2.44 0.00 0.00 57.07 55.40 1sie s TYR 369 Cb 0.00 -2.76 0.08 0.00 0.35 0.00 0.00 41.96 39.63 1sie s TYR 369 CO 0.00 -0.05 0.80 0.54 -1.34 0.00 0.00 175.55 175.51 1sie s VAL 370 N 1.40 0.00 -2.04 3.14 0.11 -1.26 -5.33 120.40 116.42 1sie s VAL 370 Ca 0.31 0.00 0.32 0.00 -2.93 0.00 0.00 61.98 59.68 1sie s VAL 370 Cb -0.16 -1.00 0.88 0.00 -1.53 0.00 0.00 36.38 34.57 1sie s VAL 370 CO 0.12 0.00 2.20 -0.67 -3.33 0.00 0.00 175.10 173.42