#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n TYR 7 N 0.00 0.00 0.53 3.52 4.02 -1.26 -3.17 117.16 120.79 3i8i n TYR 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i8i n TYR 7 Cb 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 3i8i n TYR 7 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3i8i n GLN 8 N 0.00 0.53 -2.80 -0.72 3.00 -1.26 -3.54 117.38 112.58 3i8i n GLN 8 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3i8i n GLN 8 Cb 0.08 -1.25 -0.04 0.00 0.00 0.00 0.00 30.24 29.04 3i8i n GLN 8 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 3i8i s ILE 9 N -0.19 4.61 -0.13 5.09 2.07 -1.13 -4.96 121.20 126.56 3i8i s ILE 9 Ca 0.00 1.29 -0.29 0.00 -1.41 0.00 0.00 60.65 60.24 3i8i s ILE 9 Cb 0.00 -4.32 -0.01 0.00 0.13 0.00 0.00 42.46 38.26 3i8i s ILE 9 CO 0.00 -0.47 1.13 -2.16 -1.91 0.00 0.00 174.94 171.53 3i8i s PRO 10 N 3.41 4.32 -0.02 3.50 0.04 -1.26 -0.70 135.00 144.29 3i8i s PRO 10 Ca 0.38 1.53 -0.07 0.00 0.04 0.00 0.00 61.00 62.89 3i8i s PRO 10 Cb -0.12 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 3i8i s PRO 10 CO 0.17 -0.52 0.24 0.08 0.04 0.00 0.00 177.00 177.01 3i8i s VAL 11 N 2.68 5.35 -0.35 -0.36 1.01 -0.93 -2.59 120.40 125.21 3i8i s VAL 11 Ca 0.51 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.70 3i8i s VAL 11 Cb -0.20 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 32.74 3i8i s VAL 11 CO 0.16 0.44 0.08 -0.22 0.00 0.00 0.00 175.10 175.56 3i8i s LEU 12 N -1.56 4.82 0.13 3.92 2.96 -0.31 -2.57 118.68 126.07 3i8i s LEU 12 Ca 0.24 -2.07 0.09 0.00 -0.22 0.00 0.00 54.13 52.18 3i8i s LEU 12 Cb -0.13 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3i8i s LEU 12 CO 0.13 -0.41 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.01 3i8i s SER 13 N 1.17 3.78 0.59 3.68 0.15 -0.91 -1.91 113.70 120.25 3i8i s SER 13 Ca 0.09 -0.62 0.29 0.00 0.70 0.00 0.00 55.95 56.41 3i8i s SER 13 Cb -0.20 -0.48 1.44 0.00 -1.71 0.00 0.00 66.02 65.07 3i8i s SER 13 CO -0.07 0.17 1.85 -0.65 1.20 0.00 0.00 173.24 175.74 3i8i h PRO 14 N 3.67 0.00 0.00 5.44 0.11 -1.98 0.22 132.00 139.46 3i8i h PRO 14 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i8i h PRO 14 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i8i h PRO 14 CO 0.45 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 3i8i n SER 15 N -3.64 0.00 0.00 -2.05 3.41 -1.26 -5.00 113.62 105.08 3i8i n SER 15 Ca 0.09 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 3i8i n SER 15 Cb 0.73 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3i8i n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8i n GLY 16 N 0.90 0.76 3.21 5.00 0.00 0.79 -5.01 105.19 110.83 3i8i n GLY 16 Ca 0.08 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3i8i n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8i s ARG 17 N -2.00 3.42 0.02 1.61 0.52 -1.26 -2.14 118.95 119.12 3i8i s ARG 17 Ca 0.00 -2.93 -0.00 0.00 -0.52 0.00 0.00 55.73 52.28 3i8i s ARG 17 Cb 0.00 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.32 3i8i s ARG 17 CO 0.00 -1.25 0.03 2.89 0.02 0.00 0.00 175.30 176.99 3i8i n ARG 18 N 3.02 -0.01 -3.88 3.54 1.85 -1.06 -4.88 116.66 115.24 3i8i n ARG 18 Ca 0.17 -0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.87 3i8i n ARG 18 Cb 0.40 -0.03 -0.13 0.00 -1.05 0.00 0.00 32.46 31.65 3i8i n ARG 18 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3i8i s GLU 19 N -3.04 0.11 0.04 2.89 2.02 -1.26 -2.19 118.70 117.28 3i8i s GLU 19 Ca 0.01 -0.07 0.07 0.00 0.02 0.00 0.00 54.97 55.01 3i8i s GLU 19 Cb -0.00 0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.25 3i8i s GLU 19 CO 0.01 -0.02 -0.20 -1.17 0.02 0.00 0.00 175.26 173.90 3i8i s LEU 20 N -0.28 2.17 -0.09 1.80 2.96 0.13 -4.89 118.68 120.47 3i8i s LEU 20 Ca -0.03 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3i8i s LEU 20 Cb -0.02 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 3i8i s LEU 20 CO -0.00 0.15 -0.18 0.00 -1.32 0.00 0.00 176.35 175.00 3i8i s ALA 21 N -0.81 2.45 0.49 5.97 0.00 -1.23 -2.83 121.76 125.80 3i8i s ALA 21 Ca 0.07 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3i8i s ALA 21 Cb -0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3i8i s ALA 21 CO 0.02 0.35 0.00 0.00 0.00 0.00 0.00 175.76 176.13 3i8i s ALA 22 N 0.05 3.93 -0.01 0.00 0.00 -1.19 -4.98 121.76 119.55 3i8i s ALA 22 Ca -0.07 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 3i8i s ALA 22 Cb -0.15 0.06 -0.33 0.00 0.00 0.00 0.00 23.12 22.70 3i8i s ALA 22 CO 0.05 -0.04 0.90 0.38 0.00 0.00 0.00 175.76 177.05 3i8i h ASP 23 N 1.43 0.68 0.00 0.00 2.03 -2.01 -3.40 116.42 115.15 3i8i h ASP 23 Ca -0.44 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 54.93 3i8i h ASP 23 Cb 1.30 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 3i8i h ASP 23 CO 0.75 1.62 0.00 0.18 -1.03 0.00 0.00 179.24 180.76 3i8i n LEU 24 N -3.85 0.00 -2.12 0.15 4.32 -1.26 -4.30 117.00 109.94 3i8i n LEU 24 Ca -0.17 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.58 3i8i n LEU 24 Cb 1.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.79 3i8i n LEU 24 CO 0.55 0.00 0.01 -2.65 -1.22 0.00 0.00 177.39 174.08 3i8i n PRO 25 N 0.63 0.00 0.01 3.23 -0.02 -1.26 -3.95 135.00 133.64 3i8i n PRO 25 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3i8i n PRO 25 Cb 0.00 -0.49 -0.09 0.00 -0.02 0.00 0.00 33.50 32.89 3i8i n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8i h ALA 26 N 0.53 -0.10 -3.04 3.55 0.00 -2.01 -3.43 119.26 114.76 3i8i h ALA 26 Ca -0.14 -0.27 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 3i8i h ALA 26 Cb 0.69 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 3i8i h ALA 26 CO 0.28 -0.24 -0.66 -1.21 0.00 0.00 0.00 179.25 177.41 3i8i s GLU 27 N -3.60 2.44 0.31 0.00 0.41 -1.26 -4.96 118.70 112.05 3i8i s GLU 27 Ca -0.15 -1.02 0.06 0.00 -0.41 0.00 0.00 54.97 53.46 3i8i s GLU 27 Cb 0.00 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.92 3i8i s GLU 27 CO 0.59 0.48 0.42 0.96 -0.49 0.00 0.00 175.26 177.22 3i8i s ILE 28 N -1.58 4.27 -0.45 -1.63 -5.25 -1.26 -4.95 121.20 110.34 3i8i s ILE 28 Ca 0.27 -1.05 0.06 0.00 -0.99 0.00 0.00 60.65 58.93 3i8i s ILE 28 Cb -0.10 -3.48 0.21 0.00 2.95 0.00 0.00 42.46 42.04 3i8i s ILE 28 CO 0.18 -0.20 0.45 -3.20 -1.79 0.00 0.00 174.94 170.39 3i8i n ASN 29 N -1.55 0.42 -0.09 4.36 2.85 -1.26 -4.99 115.26 115.01 3i8i n ASN 29 Ca -0.02 -2.65 0.20 0.00 -0.11 0.00 0.00 54.58 51.99 3i8i n ASN 29 Cb 0.58 -0.61 0.31 0.00 1.24 0.00 0.00 39.78 41.30 3i8i n ASN 29 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i8i n PRO 30 N 2.07 0.02 0.06 1.20 -0.04 -1.26 -0.14 135.00 136.91 3i8i n PRO 30 Ca 0.26 0.92 -0.03 0.00 -0.04 0.00 0.00 63.50 64.61 3i8i n PRO 30 Cb 0.48 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.60 3i8i n PRO 30 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3i8i h HIS 31 N 0.00 -0.19 -0.84 0.54 2.76 -1.99 -3.07 115.15 112.36 3i8i h HIS 31 Ca 0.35 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.66 3i8i h HIS 31 Cb 2.51 0.06 -0.14 0.00 1.55 0.00 0.00 27.41 31.39 3i8i h HIS 31 CO 0.00 -0.12 -0.30 -0.11 -1.30 0.00 0.00 177.93 176.10 3i8i n LEU 32 N -3.53 -0.49 -0.12 0.26 7.94 0.80 0.13 117.00 121.99 3i8i n LEU 32 Ca -0.03 1.46 -0.06 0.00 -1.11 0.00 0.00 56.01 56.27 3i8i n LEU 32 Cb 0.08 -0.36 -0.00 0.00 0.53 0.00 0.00 43.42 43.67 3i8i n LEU 32 CO 0.06 -1.33 0.67 0.25 -1.11 0.00 0.00 177.39 175.93 3i8i h LEU 33 N 0.00 -0.94 -0.49 -1.96 5.85 -1.57 0.23 115.31 116.43 3i8i h LEU 33 Ca 0.32 0.18 0.07 0.00 0.84 0.00 0.00 57.88 59.28 3i8i h LEU 33 Cb 0.52 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 3i8i h LEU 33 CO -0.84 -0.29 0.17 -0.25 -0.34 0.00 0.00 178.44 176.89 3i8i h TRP 34 N -0.20 0.29 -0.88 1.25 7.01 0.12 -0.12 115.95 123.43 3i8i h TRP 34 Ca 0.19 0.03 0.23 0.00 2.11 0.00 0.00 58.89 61.44 3i8i h TRP 34 Cb 0.51 -0.06 -0.13 0.00 -2.10 0.00 0.00 29.16 27.38 3i8i h TRP 34 CO -0.51 0.09 0.32 0.93 -2.79 0.00 0.00 178.44 176.48 3i8i h GLU 35 N 0.34 0.29 -0.02 2.65 4.39 0.99 -0.32 114.58 122.91 3i8i h GLU 35 Ca 0.24 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 3i8i h GLU 35 Cb 0.26 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3i8i h GLU 35 CO -0.25 0.19 -0.00 0.28 -1.16 0.00 0.00 179.01 178.07 3i8i h VAL 36 N 0.30 1.30 -0.17 3.13 2.07 -0.11 -0.21 116.25 122.57 3i8i h VAL 36 Ca 0.55 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3i8i h VAL 36 Cb 1.09 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3i8i h VAL 36 CO -0.58 0.24 0.04 0.58 0.02 0.00 0.00 177.57 177.86 3i8i h VAL 37 N -0.33 0.93 0.06 2.57 2.07 -0.74 0.12 116.25 120.92 3i8i h VAL 37 Ca 0.00 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3i8i h VAL 37 Cb 0.39 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3i8i h VAL 37 CO 0.00 0.02 -0.42 -0.09 0.02 0.00 0.00 177.57 177.10 3i8i h ARG 38 N 0.11 -0.55 -1.03 1.57 2.43 -1.07 0.49 114.38 116.33 3i8i h ARG 38 Ca 0.07 0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.56 3i8i h ARG 38 Cb 0.06 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.61 3i8i h ARG 38 CO -0.09 -0.37 0.63 2.35 -1.51 0.00 0.00 179.97 180.98 3i8i h TRP 39 N -0.57 0.88 0.00 2.20 7.01 -0.72 0.29 115.95 125.03 3i8i h TRP 39 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3i8i h TRP 39 Cb 0.59 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3i8i h TRP 39 CO -0.45 -0.01 0.00 1.04 -2.79 0.00 0.00 178.44 176.24 3i8i n GLN 40 N -4.84 0.00 0.01 2.65 6.02 0.38 -2.42 117.38 119.18 3i8i n GLN 40 Ca 0.28 0.38 0.20 0.00 -0.01 0.00 0.00 57.00 57.86 3i8i n GLN 40 Cb 0.88 -1.18 0.48 0.00 1.02 0.00 0.00 30.24 31.44 3i8i n GLN 40 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3i8i h LEU 41 N 0.00 0.00 0.06 1.08 3.38 0.34 -1.85 115.31 118.31 3i8i h LEU 41 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i8i h LEU 41 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i8i h LEU 41 CO 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.50 3i8i h ALA 42 N 0.76 -0.30 -1.21 1.53 0.00 -0.44 -3.30 119.26 116.30 3i8i h ALA 42 Ca 0.29 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.54 3i8i h ALA 42 Cb 2.10 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.82 3i8i h ALA 42 CO -0.00 -0.29 0.80 1.57 0.00 0.00 0.00 179.25 181.32 3i8i h LYS 43 N -0.22 0.19 0.00 0.00 2.10 -0.99 0.46 116.57 118.11 3i8i h LYS 43 Ca -0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3i8i h LYS 43 Cb 0.06 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 3i8i h LYS 43 CO 0.01 0.13 0.00 2.89 -2.00 0.00 0.00 179.45 180.48 3i8i n ARG 44 N -4.56 0.18 -1.72 0.07 1.85 -1.00 -4.70 116.66 106.77 3i8i n ARG 44 Ca 0.31 0.43 -0.43 0.00 -1.00 0.00 0.00 57.85 57.16 3i8i n ARG 44 Cb 1.20 -1.86 -0.02 0.00 -1.05 0.00 0.00 32.46 30.73 3i8i n ARG 44 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i8i n ARG 45 N -2.20 2.51 -0.04 2.89 0.63 0.16 -4.88 116.66 115.73 3i8i n ARG 45 Ca 0.02 0.89 0.11 0.00 -0.92 0.00 0.00 57.85 57.95 3i8i n ARG 45 Cb 0.21 -2.64 0.49 0.00 0.45 0.00 0.00 32.46 30.98 3i8i n ARG 45 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i8i n ARG 46 N 2.10 1.38 -3.55 -0.14 1.74 -1.26 -4.63 116.66 112.31 3i8i n ARG 46 Ca 0.09 -0.57 -0.06 0.00 -0.77 0.00 0.00 57.85 56.54 3i8i n ARG 46 Cb 0.35 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3i8i n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8i n GLY 47 N 0.99 -0.14 0.33 -0.13 0.00 -1.24 -4.81 105.19 100.19 3i8i n GLY 47 Ca 0.16 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.28 3i8i n GLY 47 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i8i n THR 48 N -1.38 0.00 -2.43 2.61 5.66 -1.26 -1.55 114.28 115.93 3i8i n THR 48 Ca -0.02 -0.49 -0.42 0.00 -3.05 0.00 0.00 64.05 60.07 3i8i n THR 48 Cb 0.09 1.17 -0.03 0.00 -1.55 0.00 0.00 70.33 70.01 3i8i n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i8i s ALA 49 N -0.81 3.39 0.22 1.79 0.00 -1.26 -4.80 121.76 120.29 3i8i s ALA 49 Ca 0.10 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.94 3i8i s ALA 49 Cb 0.07 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 3i8i s ALA 49 CO 0.13 -0.45 -0.06 0.45 0.00 0.00 0.00 175.76 175.83 3i8i s SER 50 N 1.08 2.17 0.19 0.00 0.15 -1.25 -3.40 113.70 112.64 3i8i s SER 50 Ca 0.58 -1.14 -0.14 0.00 0.70 0.00 0.00 55.95 55.96 3i8i s SER 50 Cb -0.29 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 3i8i s SER 50 CO 0.29 -0.38 0.43 0.42 1.20 0.00 0.00 173.24 175.20 3i8i s THR 51 N -3.23 0.04 -0.12 6.45 -4.23 -0.54 -4.86 115.64 109.15 3i8i s THR 51 Ca 0.25 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3i8i s THR 51 Cb 0.04 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 3i8i s THR 51 CO 0.08 -0.17 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.37 3i8i s LYS 52 N -3.93 3.28 0.46 3.99 1.02 -1.26 -4.89 119.74 118.41 3i8i s LYS 52 Ca 0.14 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.49 3i8i s LYS 52 Cb 0.01 -2.71 0.10 0.00 -0.52 0.00 0.00 37.83 34.70 3i8i s LYS 52 CO 0.00 0.36 0.63 0.25 -0.92 0.00 0.00 175.35 175.67 3i8i n THR 53 N 3.12 0.00 0.21 2.17 -2.24 -1.26 -0.50 114.28 115.79 3i8i n THR 53 Ca -0.18 -0.61 -0.17 0.00 -2.27 0.00 0.00 64.05 60.83 3i8i n THR 53 Cb 0.53 -1.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.13 3i8i n THR 53 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3i8i h ARG 54 N 0.00 -0.83 -0.56 -0.78 3.08 -1.80 -2.65 114.38 110.84 3i8i h ARG 54 Ca -0.20 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.01 3i8i h ARG 54 Cb 0.62 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.75 3i8i h ARG 54 CO 0.17 -0.55 -0.13 0.78 -1.07 0.00 0.00 179.97 179.17 3i8i h GLY 55 N -0.86 0.42 1.61 0.04 0.00 -1.94 -1.80 103.07 100.55 3i8i h GLY 55 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3i8i h GLY 55 CO -0.15 -0.21 0.00 1.18 0.00 0.00 0.00 176.54 177.36 3i8i n GLU 56 N -5.38 0.22 -1.01 4.80 1.02 -1.09 -4.82 120.64 114.38 3i8i n GLU 56 Ca 0.06 0.13 -0.28 0.00 -0.02 0.00 0.00 57.16 57.05 3i8i n GLU 56 Cb 0.30 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.42 3i8i n GLU 56 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i8i s VAL 57 N -2.61 1.98 -1.66 2.62 1.01 -0.68 -4.84 120.40 116.22 3i8i s VAL 57 Ca 0.15 0.00 0.26 0.00 0.00 0.00 0.00 61.98 62.40 3i8i s VAL 57 Cb 0.11 -2.39 0.24 0.00 0.00 0.00 0.00 36.38 34.35 3i8i s VAL 57 CO 0.26 0.00 1.55 0.00 0.00 0.00 0.00 175.10 176.92 3i8i n ALA 58 N -4.43 3.13 -1.93 5.51 0.00 -1.26 -4.98 120.51 116.55 3i8i n ALA 58 Ca 0.05 -0.39 -0.27 0.00 0.00 0.00 0.00 53.44 52.82 3i8i n ALA 58 Cb 0.57 -1.14 0.11 0.00 0.00 0.00 0.00 19.45 18.99 3i8i n ALA 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i8i s TYR 59 N -2.56 2.36 0.32 0.00 4.12 -1.26 -5.08 117.35 115.25 3i8i s TYR 59 Ca 0.23 0.37 -0.02 0.00 0.02 0.00 0.00 57.07 57.67 3i8i s TYR 59 Cb 0.19 -3.50 -0.04 0.00 -1.52 0.00 0.00 41.96 37.09 3i8i s TYR 59 CO 0.54 -1.89 0.56 0.45 0.02 0.00 0.00 175.55 175.23 3i8i s SER 60 N -4.67 6.36 0.00 2.29 0.15 -1.26 -4.98 113.70 111.59 3i8i s SER 60 Ca 0.65 0.59 0.29 0.00 0.70 0.00 0.00 55.95 58.18 3i8i s SER 60 Cb -0.08 -2.09 1.50 0.00 -1.71 0.00 0.00 66.02 63.64 3i8i s SER 60 CO 0.48 -0.26 2.00 0.61 1.20 0.00 0.00 173.24 177.27 3i8i n GLY 61 N -1.39 -1.16 3.61 9.45 0.00 -1.26 -4.64 105.19 109.80 3i8i n GLY 61 Ca -0.03 -0.14 -0.54 0.00 0.00 0.00 0.00 46.02 45.30 3i8i n GLY 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i8i n ARG 62 N -1.22 0.98 -2.08 1.61 0.63 -1.26 -4.68 116.66 110.64 3i8i n ARG 62 Ca 0.15 0.36 -0.42 0.00 -0.92 0.00 0.00 57.85 57.01 3i8i n ARG 62 Cb 0.20 -1.99 -0.03 0.00 0.45 0.00 0.00 32.46 31.10 3i8i n ARG 62 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i8i s LYS 63 N 1.14 4.13 0.25 -0.14 2.20 -1.23 -4.32 119.74 121.76 3i8i s LYS 63 Ca 0.89 2.04 -0.07 0.00 -0.36 0.00 0.00 55.97 58.46 3i8i s LYS 63 Cb -1.03 -3.96 0.45 0.00 -1.51 0.00 0.00 37.83 31.77 3i8i s LYS 63 CO 0.53 -0.90 1.61 0.97 -0.36 0.00 0.00 175.35 177.20 3i8i h ILE 64 N 5.66 0.24 -2.93 5.43 6.09 0.66 -3.44 117.51 129.21 3i8i h ILE 64 Ca -0.37 -0.02 -0.05 0.00 -1.37 0.00 0.00 64.86 63.06 3i8i h ILE 64 Cb 1.16 0.18 -0.15 0.00 0.47 0.00 0.00 36.82 38.49 3i8i h ILE 64 CO 0.96 0.01 0.06 -1.66 -3.07 0.00 0.00 178.15 174.45 3i8i s TRP 65 N -6.15 -0.41 0.00 2.19 1.48 -1.26 -5.10 118.94 109.68 3i8i s TRP 65 Ca -0.14 0.34 0.00 0.00 -1.06 0.00 0.00 56.10 55.24 3i8i s TRP 65 Cb 0.24 0.38 0.00 0.00 -1.16 0.00 0.00 33.47 32.92 3i8i s TRP 65 CO 0.76 -0.70 0.00 -2.30 -4.06 0.00 0.00 176.95 170.65 3i8i n PRO 66 N 0.11 0.00 0.00 3.25 -0.02 -1.26 -4.68 135.00 132.39 3i8i n PRO 66 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3i8i n PRO 66 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 3i8i n PRO 66 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i8i n GLN 67 N -1.94 0.00 -3.76 -0.52 -0.06 -1.26 -5.05 117.38 104.79 3i8i n GLN 67 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.87 3i8i n GLN 67 Cb 0.00 0.00 -0.11 0.00 -4.06 0.00 0.00 30.24 26.07 3i8i n GLN 67 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3i8i s LYS 68 N -0.08 0.34 0.00 3.69 2.20 -1.26 -4.83 119.74 119.80 3i8i s LYS 68 Ca 0.00 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3i8i s LYS 68 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3i8i s LYS 68 CO 0.00 -0.06 0.00 0.72 -0.36 0.00 0.00 175.35 175.65 3i8i n HIS 69 N 3.11 0.00 0.15 4.03 8.25 -1.26 -4.84 115.22 124.67 3i8i n HIS 69 Ca -0.15 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.33 3i8i n HIS 69 Cb 0.57 -1.10 0.20 0.00 1.12 0.00 0.00 29.99 30.78 3i8i n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i8i h THR 70 N 0.00 1.12 0.00 1.59 1.03 -1.94 -3.47 112.91 111.24 3i8i h THR 70 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 66.41 64.42 3i8i h THR 70 Cb 0.50 2.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 3i8i h THR 70 CO 0.00 0.51 0.00 0.61 -0.01 0.00 0.00 175.52 176.63 3i8i n GLY 71 N 0.48 2.79 2.40 2.99 0.00 -1.26 -5.01 105.19 107.59 3i8i n GLY 71 Ca -0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 3i8i n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 72 N 0.00 -1.49 0.00 1.61 5.12 -1.26 -5.07 116.66 115.57 3i8i n ARG 72 Ca 0.00 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.67 3i8i n ARG 72 Cb 0.00 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 3i8i n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8i n ALA 73 N -3.83 0.00 -3.63 7.54 0.00 -1.26 -5.01 120.51 114.31 3i8i n ALA 73 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 3i8i n ALA 73 Cb 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.66 3i8i n ALA 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i8i s ARG 74 N 0.00 0.09 0.40 0.00 3.52 -1.26 -4.85 118.95 116.85 3i8i s ARG 74 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.63 3i8i s ARG 74 Cb 0.00 -1.58 -0.02 0.00 -1.56 0.00 0.00 34.95 31.79 3i8i s ARG 74 CO 0.00 -0.59 0.15 -1.01 -0.81 0.00 0.00 175.30 173.04 3i8i s HIS 75 N 2.12 1.77 0.00 5.12 3.76 -1.26 -5.11 115.29 121.70 3i8i s HIS 75 Ca 0.02 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 53.58 3i8i s HIS 75 Cb -0.15 -1.09 0.00 0.00 1.11 0.00 0.00 32.58 32.45 3i8i s HIS 75 CO -0.08 -0.39 0.00 0.41 -0.85 0.00 0.00 174.74 173.83 3i8i n GLY 76 N -0.88 0.37 3.03 -2.22 0.00 -1.26 -4.63 105.19 99.61 3i8i n GLY 76 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 3i8i n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i8i s ASP 77 N 1.00 0.60 0.16 1.61 -4.77 -1.26 0.12 116.67 114.13 3i8i s ASP 77 Ca 0.00 -0.55 0.07 0.00 -3.30 0.00 0.00 52.55 48.77 3i8i s ASP 77 Cb 0.00 0.07 0.37 0.00 -1.09 0.00 0.00 42.92 42.26 3i8i s ASP 77 CO 0.00 -0.26 1.06 -0.38 0.70 0.00 0.00 175.17 176.30 3i8i n ILE 78 N 1.47 0.93 0.18 2.11 5.41 -1.26 -0.92 119.36 127.28 3i8i n ILE 78 Ca -0.23 0.62 0.07 0.00 1.00 0.00 0.00 62.75 64.21 3i8i n ILE 78 Cb 0.55 -1.62 0.23 0.00 -0.71 0.00 0.00 39.64 38.09 3i8i n ILE 78 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3i8i h GLY 79 N 0.00 0.00 -3.99 7.39 0.00 -1.91 -3.30 103.07 101.25 3i8i h GLY 79 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3i8i h GLY 79 CO 0.00 0.00 0.59 0.00 0.00 0.00 0.00 176.54 177.13 3i8i n ALA 80 N -2.22 1.66 0.00 3.60 0.00 -0.10 0.18 120.51 123.64 3i8i n ALA 80 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3i8i n ALA 80 Cb 0.58 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3i8i n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i8i n PRO 81 N 0.39 0.00 0.03 0.00 -0.04 -1.25 -1.28 135.00 132.85 3i8i n PRO 81 Ca 0.04 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3i8i n PRO 81 Cb 0.38 -1.52 0.54 0.00 -0.04 0.00 0.00 33.50 32.86 3i8i n PRO 81 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3i8i n ILE 82 N -1.38 0.22 -3.60 0.52 -5.35 -1.26 -4.79 119.36 103.73 3i8i n ILE 82 Ca 0.00 -0.07 -0.37 0.00 -0.27 0.00 0.00 62.75 62.04 3i8i n ILE 82 Cb 0.02 -0.55 -0.06 0.00 -1.74 0.00 0.00 39.64 37.31 3i8i n ILE 82 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3i8i s PHE 83 N -3.03 3.66 0.41 4.28 0.40 -0.40 -5.01 117.98 118.28 3i8i s PHE 83 Ca 0.13 0.83 -0.25 0.00 -0.60 0.00 0.00 56.93 57.04 3i8i s PHE 83 Cb 0.17 -2.18 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 3i8i s PHE 83 CO 0.54 0.62 1.25 0.08 0.70 0.00 0.00 175.22 178.42 3i8i s VAL 84 N -1.18 2.78 0.00 -0.44 1.01 -1.26 -0.06 120.40 121.25 3i8i s VAL 84 Ca 0.25 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3i8i s VAL 84 Cb -0.15 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3i8i s VAL 84 CO 0.14 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3i8i n GLY 85 N 0.65 2.98 0.66 4.51 0.00 -1.26 -4.98 105.19 107.75 3i8i n GLY 85 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3i8i n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 86 N -2.00 -2.85 3.85 -0.02 0.00 0.91 -4.92 105.19 100.16 3i8i n GLY 86 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3i8i n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8i s GLY 87 N -2.70 2.04 0.22 -0.02 0.00 0.13 -4.87 107.32 102.12 3i8i s GLY 87 Ca 0.13 0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.60 3i8i s GLY 87 CO 0.11 0.29 1.11 0.14 0.00 0.00 0.00 173.10 174.75 3i8i s VAL 88 N -2.51 3.65 0.00 1.40 1.01 0.34 -3.85 120.40 120.45 3i8i s VAL 88 Ca 0.56 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.06 3i8i s VAL 88 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3i8i s VAL 88 CO 0.30 0.30 0.00 0.52 0.00 0.00 0.00 175.10 176.23 3i8i n VAL 89 N 1.88 0.00 -0.33 2.92 0.31 -1.26 -4.18 118.33 117.67 3i8i n VAL 89 Ca 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 89 Cb 0.45 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.36 3i8i n VAL 89 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i8i n PHE 90 N 0.00 0.00 -0.90 3.52 3.72 -1.26 -4.85 117.46 117.68 3i8i n PHE 90 Ca 0.00 -0.60 -0.31 0.00 -0.05 0.00 0.00 57.45 56.50 3i8i n PHE 90 Cb 0.00 -0.53 0.15 0.00 -0.94 0.00 0.00 39.48 38.16 3i8i n PHE 90 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3i8i s GLY 91 N 2.10 1.66 0.31 1.37 0.00 -1.26 -4.98 107.32 106.52 3i8i s GLY 91 Ca 0.08 0.33 -0.29 0.00 0.00 0.00 0.00 44.72 44.84 3i8i s GLY 91 CO 0.00 0.78 1.37 2.56 0.00 0.00 0.00 173.10 177.80 3i8i s PRO 92 N -4.74 4.30 0.22 2.90 0.04 -1.26 -4.86 135.00 131.61 3i8i s PRO 92 Ca 0.65 2.28 0.11 0.00 0.04 0.00 0.00 61.00 64.08 3i8i s PRO 92 Cb -0.21 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3i8i s PRO 92 CO 0.58 -0.30 -0.16 0.15 0.04 0.00 0.00 177.00 177.32 3i8i s LYS 93 N -1.38 1.82 0.44 4.56 -0.14 -1.24 -1.47 119.74 122.33 3i8i s LYS 93 Ca 0.53 -1.50 -0.26 0.00 -1.36 0.00 0.00 55.97 53.38 3i8i s LYS 93 Cb -0.41 -1.96 -0.09 0.00 -1.68 0.00 0.00 37.83 33.69 3i8i s LYS 93 CO 0.51 0.39 1.37 -0.35 -0.76 0.00 0.00 175.35 176.51 3i8i n PRO 94 N -0.19 2.15 -3.49 -1.68 -0.04 -1.22 -4.77 135.00 125.76 3i8i n PRO 94 Ca -0.09 0.77 -0.12 0.00 -0.04 0.00 0.00 63.50 64.02 3i8i n PRO 94 Cb 0.57 -2.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 3i8i n PRO 94 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3i8i s ARG 95 N -2.33 1.20 -0.26 0.54 1.70 -0.59 -5.02 118.95 114.19 3i8i s ARG 95 Ca 0.61 -0.52 -0.17 0.00 -0.47 0.00 0.00 55.73 55.17 3i8i s ARG 95 Cb -0.47 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.42 3i8i s ARG 95 CO 0.58 -0.51 0.49 0.34 -1.08 0.00 0.00 175.30 175.12 3i8i s ASP 96 N -2.71 6.40 -0.10 -2.89 -1.08 -1.26 -3.65 116.67 111.38 3i8i s ASP 96 Ca 0.01 0.48 0.14 0.00 -0.52 0.00 0.00 52.55 52.66 3i8i s ASP 96 Cb -0.00 -2.27 0.57 0.00 -1.46 0.00 0.00 42.92 39.76 3i8i s ASP 96 CO -0.12 -0.26 1.44 -1.22 0.52 0.00 0.00 175.17 175.53 3i8i n TYR 97 N 5.46 1.22 -2.56 -5.34 4.01 -1.26 -4.95 117.16 113.73 3i8i n TYR 97 Ca -0.05 -0.47 -0.23 0.00 -0.16 0.00 0.00 57.90 56.99 3i8i n TYR 97 Cb 0.50 -0.23 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 3i8i n TYR 97 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3i8i s SER 98 N -0.78 5.25 -0.14 7.72 1.04 -1.26 -3.89 113.70 121.64 3i8i s SER 98 Ca 0.40 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.70 3i8i s SER 98 Cb 0.26 -1.05 0.13 0.00 0.10 0.00 0.00 66.02 65.46 3i8i s SER 98 CO 0.18 -1.19 1.02 -0.72 0.98 0.00 0.00 173.24 173.51 3i8i s TYR 99 N -2.86 -0.33 -0.78 5.02 1.13 -1.26 -4.96 117.35 113.31 3i8i s TYR 99 Ca 0.57 0.49 -0.25 0.00 -1.41 0.00 0.00 57.07 56.46 3i8i s TYR 99 Cb -0.10 0.47 0.04 0.00 -1.10 0.00 0.00 41.96 41.27 3i8i s TYR 99 CO 0.40 -0.35 1.24 0.99 -2.51 0.00 0.00 175.55 175.33 3i8i s THR 100 N -1.53 3.90 -0.06 -3.49 2.01 -1.26 -4.98 115.64 110.22 3i8i s THR 100 Ca 0.01 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 3i8i s THR 100 Cb -0.01 -4.90 -0.03 0.00 0.01 0.00 0.00 72.50 67.58 3i8i s THR 100 CO -0.01 -1.79 1.11 -0.22 -0.69 0.00 0.00 174.62 173.02 3i8i s LEU 101 N 5.21 4.28 -0.27 4.42 2.96 -1.26 -4.91 118.68 129.12 3i8i s LEU 101 Ca 0.34 1.71 -0.40 0.00 -0.22 0.00 0.00 54.13 55.57 3i8i s LEU 101 Cb -0.08 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.87 3i8i s LEU 101 CO 0.09 -0.49 1.24 -2.65 -1.32 0.00 0.00 176.35 173.22 3i8i n PRO 102 N 4.88 0.00 -0.31 0.98 -0.02 -1.26 -4.75 135.00 134.52 3i8i n PRO 102 Ca 0.09 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.64 3i8i n PRO 102 Cb 0.48 -1.34 0.22 0.00 -0.02 0.00 0.00 33.50 32.83 3i8i n PRO 102 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i8i h LYS 103 N 3.75 0.71 -0.09 -0.52 1.57 -1.99 0.18 116.57 120.18 3i8i h LYS 103 Ca -0.42 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3i8i h LYS 103 Cb 1.25 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 3i8i h LYS 103 CO 0.76 0.47 0.12 -0.22 -0.57 0.00 0.00 179.45 180.01 3i8i h LYS 104 N 0.73 0.00 0.02 3.15 1.63 -2.00 0.26 116.57 120.36 3i8i h LYS 104 Ca 0.46 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.97 3i8i h LYS 104 Cb 0.57 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 3i8i h LYS 104 CO -0.32 0.00 -1.61 0.28 -3.45 0.00 0.00 179.45 174.36 3i8i h VAL 105 N 0.00 0.99 0.72 2.00 2.07 -1.05 -3.15 116.25 117.82 3i8i h VAL 105 Ca 0.04 -2.79 -0.04 0.00 0.82 0.00 0.00 66.70 64.74 3i8i h VAL 105 Cb 0.28 2.52 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3i8i h VAL 105 CO -0.00 0.62 -0.34 0.03 0.02 0.00 0.00 177.57 177.90 3i8i h ARG 106 N 0.01 -0.93 -0.00 1.57 2.47 0.99 0.18 114.38 118.68 3i8i h ARG 106 Ca -0.25 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 3i8i h ARG 106 Cb 1.98 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 30.51 3i8i h ARG 106 CO 0.10 -0.61 -0.02 0.87 0.56 0.00 0.00 179.97 180.86 3i8i h LYS 107 N -0.97 -0.03 -0.69 0.04 1.57 -1.22 0.18 116.57 115.46 3i8i h LYS 107 Ca -0.10 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3i8i h LYS 107 Cb 0.74 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 3i8i h LYS 107 CO 0.16 -0.02 -0.41 1.63 -0.57 0.00 0.00 179.45 180.25 3i8i n LYS 108 N -2.64 -0.30 -0.12 3.15 4.76 -1.19 0.74 118.16 122.55 3i8i n LYS 108 Ca -0.00 1.05 -0.07 0.00 -2.87 0.00 0.00 58.31 56.41 3i8i n LYS 108 Cb 0.02 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 31.65 3i8i n LYS 108 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3i8i h GLY 109 N 0.00 -0.23 0.23 0.72 0.00 0.15 0.83 103.07 104.77 3i8i h GLY 109 Ca 0.11 0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.88 3i8i h GLY 109 CO -0.65 -0.21 -0.36 -2.00 0.00 0.00 0.00 176.54 173.32 3i8i h LEU 110 N -0.25 -1.10 0.44 3.11 5.85 0.34 -0.51 115.31 123.19 3i8i h LEU 110 Ca 0.17 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3i8i h LEU 110 Cb 0.54 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3i8i h LEU 110 CO -0.54 -0.42 -0.37 0.00 -0.34 0.00 0.00 178.44 176.77 3i8i h ALA 111 N 0.13 -1.09 -0.97 1.25 0.00 -0.57 -1.63 119.26 116.39 3i8i h ALA 111 Ca 0.06 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.06 3i8i h ALA 111 Cb 0.60 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 3i8i h ALA 111 CO -0.29 -1.10 0.52 0.52 0.00 0.00 0.00 179.25 178.90 3i8i h MET 112 N -0.79 0.45 0.52 0.00 2.86 -0.80 0.59 114.93 117.75 3i8i h MET 112 Ca -0.06 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3i8i h MET 112 Cb 0.67 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3i8i h MET 112 CO -0.01 0.30 -0.42 0.00 1.06 0.00 0.00 176.91 177.84 3i8i h ALA 113 N 1.75 -1.14 -0.04 6.32 0.00 -0.64 0.62 119.26 126.13 3i8i h ALA 113 Ca 0.63 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.38 3i8i h ALA 113 Cb 1.25 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 3i8i h ALA 113 CO -0.52 -1.14 -0.40 0.28 0.00 0.00 0.00 179.25 177.46 3i8i h VAL 114 N -0.92 0.00 -0.47 0.00 2.07 -0.29 -2.53 116.25 114.11 3i8i h VAL 114 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3i8i h VAL 114 Cb 0.77 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3i8i h VAL 114 CO 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.31 3i8i n ALA 115 N -2.87 -0.30 -0.33 1.67 0.00 0.19 0.17 120.51 119.05 3i8i n ALA 115 Ca -0.05 0.40 0.20 0.00 0.00 0.00 0.00 53.44 53.98 3i8i n ALA 115 Cb 0.29 0.12 0.38 0.00 0.00 0.00 0.00 19.45 20.24 3i8i n ALA 115 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3i8i h ASP 116 N 0.00 -0.10 -0.30 0.00 3.58 0.68 0.64 116.42 120.93 3i8i h ASP 116 Ca 0.07 0.25 -0.13 0.00 0.42 0.00 0.00 57.03 57.65 3i8i h ASP 116 Cb 0.19 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3i8i h ASP 116 CO -0.44 -0.32 -0.28 0.03 -2.88 0.00 0.00 179.24 175.35 3i8i h ARG 117 N 0.07 0.81 -0.56 0.28 -0.00 -0.11 -2.87 114.38 112.00 3i8i h ARG 117 Ca 0.67 -0.36 -0.05 0.00 -0.50 0.00 0.00 59.98 59.73 3i8i h ARG 117 Cb 1.51 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 31.44 3i8i h ARG 117 CO -0.80 0.99 0.14 0.00 0.00 0.00 0.00 179.97 180.30 3i8i h ALA 118 N 0.99 1.19 -0.10 0.04 0.00 0.11 -0.20 119.26 121.30 3i8i h ALA 118 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i8i h ALA 118 Cb 0.82 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i8i h ALA 118 CO 0.07 0.55 0.05 -0.09 0.00 0.00 0.00 179.25 179.83 3i8i h ARG 119 N 0.83 0.14 0.00 0.00 2.43 -0.94 -0.96 114.38 115.87 3i8i h ARG 119 Ca 0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3i8i h ARG 119 Cb 0.29 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3i8i h ARG 119 CO -0.00 0.18 0.00 0.39 -1.51 0.00 0.00 179.97 179.03 3i8i n GLU 120 N -4.97 0.37 -1.39 0.20 1.02 -1.10 -4.79 120.64 109.98 3i8i n GLU 120 Ca -0.05 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.06 3i8i n GLU 120 Cb 0.07 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.97 3i8i n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i8i n GLY 121 N -0.14 0.72 0.00 0.62 0.00 -0.37 -4.92 105.19 101.11 3i8i n GLY 121 Ca 0.09 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.50 3i8i n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8i n LYS 122 N -2.56 0.00 -2.96 1.61 4.76 -0.10 -4.88 118.16 114.03 3i8i n LYS 122 Ca -0.07 -0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 3i8i n LYS 122 Cb 0.29 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 3i8i n LYS 122 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3i8i s LEU 123 N -3.00 4.11 -0.11 -0.35 2.96 -1.13 -2.88 118.68 118.28 3i8i s LEU 123 Ca 0.09 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 3i8i s LEU 123 Cb 0.17 -3.04 -0.00 0.00 0.50 0.00 0.00 46.19 43.82 3i8i s LEU 123 CO 0.80 -0.67 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.72 3i8i s LEU 124 N 3.02 2.21 -0.12 -0.68 2.96 0.43 -4.45 118.68 122.04 3i8i s LEU 124 Ca 0.31 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3i8i s LEU 124 Cb -0.14 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3i8i s LEU 124 CO 0.15 0.15 0.13 -0.76 -1.32 0.00 0.00 176.35 174.69 3i8i s LEU 125 N 0.43 4.32 0.00 -0.68 1.43 -1.07 -1.73 118.68 121.39 3i8i s LEU 125 Ca -0.15 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3i8i s LEU 125 Cb -0.17 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3i8i s LEU 125 CO 0.06 0.39 0.00 1.33 0.23 0.00 0.00 176.35 178.37 3i8i n VAL 126 N 2.09 0.00 -3.72 -1.59 0.24 -1.10 -1.16 118.33 113.09 3i8i n VAL 126 Ca -0.20 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.01 3i8i n VAL 126 Cb 0.55 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 3i8i n VAL 126 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3i8i s GLU 127 N 1.58 1.38 0.00 7.34 0.41 -0.80 -3.06 118.70 125.54 3i8i s GLU 127 Ca 0.00 -0.85 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 3i8i s GLU 127 Cb 0.00 0.52 0.00 0.00 -1.78 0.00 0.00 34.13 32.87 3i8i s GLU 127 CO 0.00 -0.59 0.00 0.00 -0.49 0.00 0.00 175.26 174.18 3i8i n ALA 128 N -0.34 0.00 0.00 5.21 0.00 -1.26 -4.50 120.51 119.61 3i8i n ALA 128 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3i8i n ALA 128 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3i8i n ALA 128 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8i n PHE 129 N 0.00 0.00 -0.40 0.00 3.72 -1.26 -4.38 117.46 115.14 3i8i n PHE 129 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i8i n PHE 129 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i8i n PHE 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i8i n ALA 130 N -0.07 0.00 -3.61 4.37 0.00 -1.26 -4.80 120.51 115.13 3i8i n ALA 130 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3i8i n ALA 130 Cb 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 3i8i n ALA 130 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i8i s GLY 131 N -1.37 2.92 0.00 0.00 0.00 -1.26 -5.02 107.32 102.58 3i8i s GLY 131 Ca 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 44.72 41.06 3i8i s GLY 131 CO 0.00 1.19 0.00 3.33 0.00 0.00 0.00 173.10 177.62 3i8i n VAL 132 N 2.77 0.00 -3.79 1.40 0.24 -1.26 -4.62 118.33 113.07 3i8i n VAL 132 Ca 0.18 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.24 3i8i n VAL 132 Cb 0.38 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.76 3i8i n VAL 132 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3i8i n ASN 133 N 0.00 -2.25 -0.31 -1.34 3.02 -1.26 -3.65 115.26 109.47 3i8i n ASN 133 Ca 0.00 -0.67 -0.01 0.00 -0.03 0.00 0.00 54.58 53.87 3i8i n ASN 133 Cb 0.00 -0.84 -0.01 0.00 -0.61 0.00 0.00 39.78 38.32 3i8i n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8i n GLY 134 N -1.48 -0.01 2.90 7.41 0.00 -1.25 -4.79 105.19 107.97 3i8i n GLY 134 Ca -0.08 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3i8i n GLY 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i8i s LYS 135 N 0.43 1.51 0.52 1.61 2.47 -1.24 -4.35 119.74 120.69 3i8i s LYS 135 Ca 0.04 -0.56 0.20 0.00 -1.56 0.00 0.00 55.97 54.08 3i8i s LYS 135 Cb -0.02 -2.07 1.07 0.00 -1.46 0.00 0.00 37.83 35.35 3i8i s LYS 135 CO 0.02 -0.43 1.56 1.79 0.16 0.00 0.00 175.35 178.44 3i8i h THR 136 N 6.38 0.00 0.00 3.43 1.35 -1.85 1.50 112.91 123.72 3i8i h THR 136 Ca -0.25 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.46 3i8i h THR 136 Cb 1.11 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 3i8i h THR 136 CO 0.41 0.00 -0.79 0.50 -0.25 0.00 0.00 175.52 175.39 3i8i h LYS 137 N 0.00 0.00 0.14 4.72 3.64 -1.95 -0.89 116.57 122.24 3i8i h LYS 137 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 3i8i h LYS 137 Cb 0.78 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3i8i h LYS 137 CO 0.00 0.69 -1.26 0.93 -2.27 0.00 0.00 179.45 177.53 3i8i h GLU 138 N 0.00 0.60 -0.10 1.90 5.08 0.17 -2.03 114.58 120.20 3i8i h GLU 138 Ca -0.03 -0.84 -0.02 0.00 -1.00 0.00 0.00 59.36 57.47 3i8i h GLU 138 Cb 1.57 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 31.10 3i8i h GLU 138 CO 0.09 1.39 -0.03 0.35 -1.00 0.00 0.00 179.01 179.81 3i8i h PHE 139 N 0.22 0.22 -0.92 4.33 3.57 -1.30 -2.66 116.94 120.39 3i8i h PHE 139 Ca -0.20 -0.05 0.22 0.00 3.53 0.00 0.00 57.97 61.47 3i8i h PHE 139 Cb 1.94 -0.05 -0.12 0.00 2.79 0.00 0.00 35.95 40.51 3i8i h PHE 139 CO 0.12 0.52 0.46 1.25 -2.23 0.00 0.00 178.31 178.43 3i8i h LEU 140 N -0.15 0.47 0.49 0.59 5.85 -1.20 0.39 115.31 121.76 3i8i h LEU 140 Ca 0.02 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3i8i h LEU 140 Cb 0.45 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3i8i h LEU 140 CO 0.01 0.07 -0.24 0.00 -0.34 0.00 0.00 178.44 177.94 3i8i h ALA 141 N 1.69 -1.08 -0.75 1.25 0.00 -1.19 -2.69 119.26 116.50 3i8i h ALA 141 Ca 0.57 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.47 3i8i h ALA 141 Cb 1.05 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3i8i h ALA 141 CO -0.49 -1.03 -0.31 2.35 0.00 0.00 0.00 179.25 179.77 3i8i h TRP 142 N -0.72 -0.82 -0.67 0.00 7.01 -1.05 -0.89 115.95 118.81 3i8i h TRP 142 Ca -0.07 0.08 0.10 0.00 2.11 0.00 0.00 58.89 61.12 3i8i h TRP 142 Cb 0.51 0.47 -0.12 0.00 -2.10 0.00 0.00 29.16 27.92 3i8i h TRP 142 CO 0.10 -0.38 -0.40 0.00 -2.79 0.00 0.00 178.44 174.97 3i8i h ALA 143 N 1.32 -0.16 -0.19 2.65 0.00 -0.20 0.60 119.26 123.28 3i8i h ALA 143 Ca 0.30 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.42 3i8i h ALA 143 Cb 0.57 0.93 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 3i8i h ALA 143 CO -0.80 -0.75 -0.32 -0.22 0.00 0.00 0.00 179.25 177.17 3i8i h LYS 144 N -0.16 -0.34 0.00 0.00 3.64 -0.82 0.52 116.57 119.40 3i8i h LYS 144 Ca 0.22 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3i8i h LYS 144 Cb 0.56 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3i8i h LYS 144 CO -0.75 -0.23 0.02 -1.91 -2.27 0.00 0.00 179.45 174.32 3i8i n GLU 145 N -5.41 0.00 -0.01 1.90 4.07 0.09 -0.53 120.64 120.76 3i8i n GLU 145 Ca -0.02 0.27 0.04 0.00 -0.06 0.00 0.00 57.16 57.39 3i8i n GLU 145 Cb 0.32 -1.52 0.04 0.00 -0.06 0.00 0.00 31.44 30.22 3i8i n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8i n ALA 146 N -1.26 2.45 -0.47 4.31 0.00 0.17 -4.96 120.51 120.75 3i8i n ALA 146 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3i8i n ALA 146 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3i8i n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 147 N 0.45 0.75 3.23 0.00 0.00 0.32 -4.98 105.19 104.96 3i8i n GLY 147 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 3i8i n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 148 N 0.00 5.81 0.22 0.99 4.77 -0.23 -4.77 117.00 123.79 3i8i n LEU 148 Ca 0.00 -4.94 0.11 0.00 -0.03 0.00 0.00 56.01 51.15 3i8i n LEU 148 Cb 0.00 -1.45 0.43 0.00 -2.33 0.00 0.00 43.42 40.07 3i8i n LEU 148 CO 0.00 1.32 0.81 -2.24 -1.33 0.00 0.00 177.39 175.95 3i8i h ASP 149 N 6.34 0.00 -0.12 -1.43 2.03 -1.86 -3.28 116.42 118.11 3i8i h ASP 149 Ca 0.23 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.53 3i8i h ASP 149 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 3i8i h ASP 149 CO 1.20 0.19 0.00 0.61 -1.03 0.00 0.00 179.24 180.21 3i8i n GLY 150 N 0.32 1.31 0.54 7.15 0.00 -1.26 -4.98 105.19 108.28 3i8i n GLY 150 Ca 0.01 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.87 3i8i n GLY 150 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8i n SER 151 N 0.50 2.21 -3.86 1.61 3.41 -1.26 -4.92 113.62 111.31 3i8i n SER 151 Ca 0.00 -1.60 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 3i8i n SER 151 Cb 0.14 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 3i8i n SER 151 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3i8i s GLU 152 N -1.05 0.31 0.88 4.33 2.02 -1.26 -5.15 118.70 118.78 3i8i s GLU 152 Ca 0.17 -0.12 -0.11 0.00 0.02 0.00 0.00 54.97 54.92 3i8i s GLU 152 Cb 0.11 0.13 0.12 0.00 0.10 0.00 0.00 34.13 34.59 3i8i s GLU 152 CO 0.16 -0.06 1.10 -1.54 0.02 0.00 0.00 175.26 174.94 3i8i s SER 153 N -0.67 3.49 -0.04 -0.19 1.04 -1.26 -4.89 113.70 111.17 3i8i s SER 153 Ca -0.08 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.12 3i8i s SER 153 Cb -0.05 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.67 3i8i s SER 153 CO 0.01 -2.68 0.11 -0.69 0.98 0.00 0.00 173.24 170.97 3i8i s VAL 154 N -2.81 -0.01 -0.64 5.02 1.01 -0.42 -1.78 120.40 120.78 3i8i s VAL 154 Ca 0.64 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 3i8i s VAL 154 Cb -0.20 -0.17 0.17 0.00 0.00 0.00 0.00 36.38 36.18 3i8i s VAL 154 CO 0.58 0.01 0.53 -0.22 0.00 0.00 0.00 175.10 175.99 3i8i s LEU 155 N 0.26 5.97 -0.67 3.92 2.96 0.10 -1.28 118.68 129.95 3i8i s LEU 155 Ca -0.02 -2.42 -0.27 0.00 -0.22 0.00 0.00 54.13 51.20 3i8i s LEU 155 Cb -0.03 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.62 3i8i s LEU 155 CO -0.01 -0.58 1.55 -0.22 -1.32 0.00 0.00 176.35 175.77 3i8i s LEU 156 N 0.59 3.24 -0.36 -0.68 2.96 -0.75 -2.38 118.68 121.30 3i8i s LEU 156 Ca 0.13 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 3i8i s LEU 156 Cb -0.20 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.90 3i8i s LEU 156 CO -0.04 -2.06 0.21 -0.69 -1.32 0.00 0.00 176.35 172.45 3i8i s VAL 157 N 7.22 4.80 -0.01 1.68 1.01 0.12 -1.17 120.40 134.06 3i8i s VAL 157 Ca 0.51 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3i8i s VAL 157 Cb -0.10 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.76 3i8i s VAL 157 CO 0.18 -0.12 0.57 0.28 0.00 0.00 0.00 175.10 176.01 3i8i s THR 158 N 1.62 0.02 -1.04 3.92 -1.32 -0.95 -3.29 115.64 114.59 3i8i s THR 158 Ca 0.04 -0.14 0.26 0.00 -1.21 0.00 0.00 61.69 60.64 3i8i s THR 158 Cb -0.18 -0.93 0.09 0.00 -1.51 0.00 0.00 72.50 69.97 3i8i s THR 158 CO 0.08 -0.08 1.58 0.61 -2.21 0.00 0.00 174.62 174.60 3i8i n GLY 159 N 0.78 -1.30 3.58 6.08 0.00 -1.26 -4.06 105.19 109.01 3i8i n GLY 159 Ca -0.19 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3i8i n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8i s ASN 160 N -2.97 6.49 0.27 1.61 3.84 -1.26 -4.90 114.94 118.02 3i8i s ASN 160 Ca 0.13 0.16 0.01 0.00 0.21 0.00 0.00 52.86 53.37 3i8i s ASN 160 Cb 0.18 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.95 3i8i s ASN 160 CO 0.64 -1.39 1.75 -0.08 -2.79 0.00 0.00 177.10 175.23 3i8i h GLU 161 N 9.43 0.59 -0.43 0.43 4.22 -1.99 -1.68 114.58 125.16 3i8i h GLU 161 Ca -0.25 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.05 3i8i h GLU 161 Cb 1.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3i8i h GLU 161 CO 1.16 0.39 -0.17 -0.07 -2.18 0.00 0.00 179.01 178.14 3i8i h LEU 162 N 0.61 0.89 0.21 1.64 3.38 -1.98 0.40 115.31 120.46 3i8i h LEU 162 Ca 0.50 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i8i h LEU 162 Cb 0.77 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3i8i h LEU 162 CO -0.40 1.08 -0.27 0.58 0.09 0.00 0.00 178.44 179.52 3i8i h VAL 163 N 0.69 0.41 -0.86 1.22 2.07 -1.69 -1.62 116.25 116.48 3i8i h VAL 163 Ca 0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.80 3i8i h VAL 163 Cb 0.73 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 3i8i h VAL 163 CO 0.06 0.00 0.40 -0.09 0.02 0.00 0.00 177.57 177.95 3i8i h ARG 164 N -0.54 0.48 0.00 1.57 2.43 -1.01 0.44 114.38 117.75 3i8i h ARG 164 Ca 0.01 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3i8i h ARG 164 Cb 0.53 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3i8i h ARG 164 CO -0.10 0.32 -0.10 0.00 -1.51 0.00 0.00 179.97 178.57 3i8i h ARG 165 N 0.50 0.00 0.04 0.20 3.08 0.60 -2.85 114.38 115.95 3i8i h ARG 165 Ca 0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.55 3i8i h ARG 165 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3i8i h ARG 165 CO -0.44 0.10 -0.02 0.00 -1.07 0.00 0.00 179.97 178.54 3i8i h ALA 166 N 1.90 -0.06 0.00 0.04 0.00 -0.00 -3.36 119.26 117.78 3i8i h ALA 166 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i8i h ALA 166 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i8i h ALA 166 CO 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.20 3i8i h ALA 167 N -0.78 1.00 -0.79 0.00 0.00 -1.60 -3.30 119.26 113.80 3i8i h ALA 167 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3i8i h ALA 167 Cb 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 3i8i h ALA 167 CO 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 179.25 178.91 3i8i h ARG 168 N 0.00 -0.08 0.00 0.00 3.08 -1.65 -0.60 114.38 115.13 3i8i h ARG 168 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i8i h ARG 168 Cb 0.33 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3i8i h ARG 168 CO 0.00 -0.05 0.00 -1.71 -1.07 0.00 0.00 179.97 177.14 3i8i n ASN 169 N -5.46 0.64 -4.68 7.04 4.05 -1.26 -4.73 115.26 110.86 3i8i n ASN 169 Ca 0.07 0.64 -0.42 0.00 0.45 0.00 0.00 54.58 55.32 3i8i n ASN 169 Cb 0.38 -0.78 -0.03 0.00 1.23 0.00 0.00 39.78 40.58 3i8i n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3i8i s LEU 170 N -4.38 4.37 0.00 1.20 1.02 -0.23 -4.85 118.68 115.80 3i8i s LEU 170 Ca 0.05 2.48 0.11 0.00 0.02 0.00 0.00 54.13 56.79 3i8i s LEU 170 Cb 0.10 -3.55 0.54 0.00 0.02 0.00 0.00 46.19 43.30 3i8i s LEU 170 CO 0.42 -0.93 1.24 -0.81 0.02 0.00 0.00 176.35 176.29 3i8i n PRO 171 N 6.22 0.15 -0.06 1.29 -0.04 -1.26 -1.91 135.00 139.38 3i8i n PRO 171 Ca 0.17 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.84 3i8i n PRO 171 Cb 0.41 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 3i8i n PRO 171 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3i8i n TRP 172 N -1.29 0.16 -4.13 0.54 4.27 -1.26 -4.98 117.44 110.74 3i8i n TRP 172 Ca 0.05 -0.51 -0.30 0.00 -3.89 0.00 0.00 57.50 52.85 3i8i n TRP 172 Cb 0.09 -0.04 -0.16 0.00 -1.36 0.00 0.00 31.31 29.83 3i8i n TRP 172 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3i8i s VAL 173 N -1.03 1.61 -0.40 -1.67 1.01 -0.81 -1.30 120.40 117.82 3i8i s VAL 173 Ca 0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3i8i s VAL 173 Cb 0.04 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 35.02 3i8i s VAL 173 CO 0.05 0.46 0.20 0.68 0.00 0.00 0.00 175.10 176.50 3i8i s VAL 174 N 1.36 3.72 0.72 2.92 -7.23 -0.40 -4.73 120.40 116.75 3i8i s VAL 174 Ca 0.02 -1.62 -0.10 0.00 -1.81 0.00 0.00 61.98 58.48 3i8i s VAL 174 Cb -0.13 -3.34 0.04 0.00 0.56 0.00 0.00 36.38 33.51 3i8i s VAL 174 CO -0.09 -0.50 1.08 0.28 -0.31 0.00 0.00 175.10 175.56 3i8i s THR 175 N 1.30 2.92 0.00 5.32 -1.32 -1.26 -1.81 115.64 120.79 3i8i s THR 175 Ca 0.03 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 3i8i s THR 175 Cb -0.22 -3.27 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 3i8i s THR 175 CO -0.01 -0.34 0.00 -0.11 -2.21 0.00 0.00 174.62 171.96 3i8i n LEU 176 N -3.02 0.00 -4.77 9.08 7.94 -0.32 -4.86 117.00 121.06 3i8i n LEU 176 Ca 0.07 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.58 3i8i n LEU 176 Cb 0.59 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.54 3i8i n LEU 176 CO 0.56 0.00 1.00 0.00 -1.11 0.00 0.00 177.39 177.83 3i8i s ALA 177 N -0.16 3.20 0.66 1.96 0.00 -1.26 -2.24 121.76 123.93 3i8i s ALA 177 Ca 0.00 1.31 0.17 0.00 0.00 0.00 0.00 51.96 53.44 3i8i s ALA 177 Cb 0.00 -3.53 0.91 0.00 0.00 0.00 0.00 23.12 20.50 3i8i s ALA 177 CO 0.00 -0.99 1.51 -1.00 0.00 0.00 0.00 175.76 175.28 3i8i h PRO 178 N 2.42 0.00 0.00 0.00 0.13 -1.89 1.05 132.00 133.71 3i8i h PRO 178 Ca -0.50 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 3i8i h PRO 178 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3i8i h PRO 178 CO 0.61 0.00 -0.58 0.93 -0.23 0.00 0.00 178.00 178.73 3i8i h GLU 179 N 0.00 0.00 0.76 0.86 3.07 -1.95 -3.30 114.58 114.02 3i8i h GLU 179 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3i8i h GLU 179 Cb 1.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3i8i h GLU 179 CO -0.00 0.58 -0.37 0.78 -1.40 0.00 0.00 179.01 178.61 3i8i h GLY 180 N 1.81 -1.07 -0.02 -3.84 0.00 0.84 -3.45 103.07 97.35 3i8i h GLY 180 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3i8i h GLY 180 CO 0.08 -0.39 0.00 -0.10 0.00 0.00 0.00 176.54 176.13 3i8i n LEU 181 N -5.22 0.00 -4.16 3.11 -0.00 -1.24 -4.87 117.00 104.62 3i8i n LEU 181 Ca -0.13 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 55.68 3i8i n LEU 181 Cb 0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.69 3i8i n LEU 181 CO 0.31 0.00 -0.47 0.54 -0.00 0.00 0.00 177.39 177.76 3i8i s ASN 182 N 0.00 1.77 0.22 1.96 2.20 -1.26 -5.05 114.94 114.78 3i8i s ASN 182 Ca 0.00 -0.49 -0.08 0.00 -0.94 0.00 0.00 52.86 51.35 3i8i s ASN 182 Cb 0.00 -0.11 0.18 0.00 -2.00 0.00 0.00 41.25 39.32 3i8i s ASN 182 CO 0.00 0.03 1.84 -0.37 -2.94 0.00 0.00 177.10 175.66 3i8i h VAL 183 N 4.45 1.25 -0.59 3.54 -1.51 -1.89 -1.65 116.25 119.85 3i8i h VAL 183 Ca -0.39 -0.61 0.12 0.00 -1.23 0.00 0.00 66.70 64.58 3i8i h VAL 183 Cb 1.18 0.13 -0.11 0.00 -2.13 0.00 0.00 31.29 30.35 3i8i h VAL 183 CO 0.43 0.28 -0.13 0.22 -1.23 0.00 0.00 177.57 177.14 3i8i h TYR 184 N 1.17 -0.28 -0.10 5.19 3.20 -1.94 0.33 116.97 124.53 3i8i h TYR 184 Ca 0.29 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 3i8i h TYR 184 Cb 0.03 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3i8i h TYR 184 CO 0.01 -0.24 -0.08 -0.44 -1.64 0.00 0.00 178.16 175.76 3i8i h ASP 185 N 0.01 0.25 -1.11 -2.11 3.32 -1.93 -0.73 116.42 114.12 3i8i h ASP 185 Ca 0.29 -0.45 0.31 0.00 0.02 0.00 0.00 57.03 57.19 3i8i h ASP 185 Cb 0.44 -0.07 -0.11 0.00 0.22 0.00 0.00 39.33 39.82 3i8i h ASP 185 CO -0.60 0.65 0.71 0.40 -1.72 0.00 0.00 179.24 178.68 3i8i h ILE 186 N -0.15 0.41 0.00 0.35 1.08 -0.19 -0.81 117.51 118.20 3i8i h ILE 186 Ca 0.02 -0.11 -0.23 0.00 -0.39 0.00 0.00 64.86 64.15 3i8i h ILE 186 Cb 0.57 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 3i8i h ILE 186 CO 0.02 0.06 -1.29 0.58 -0.69 0.00 0.00 178.15 176.82 3i8i h VAL 187 N 0.31 1.14 -0.59 1.67 2.07 -0.12 -3.36 116.25 117.37 3i8i h VAL 187 Ca 0.66 -2.85 -0.06 0.00 0.82 0.00 0.00 66.70 65.27 3i8i h VAL 187 Cb 1.78 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 34.07 3i8i h VAL 187 CO -0.35 0.65 0.12 0.03 0.02 0.00 0.00 177.57 178.04 3i8i h ARG 188 N 0.00 0.96 -7.04 1.57 3.08 0.35 -3.44 114.38 109.86 3i8i h ARG 188 Ca -0.14 -0.24 -0.49 0.00 0.07 0.00 0.00 59.98 59.18 3i8i h ARG 188 Cb 1.81 -0.12 0.04 0.00 0.08 0.00 0.00 29.97 31.79 3i8i h ARG 188 CO 0.09 0.90 0.17 0.95 -1.07 0.00 0.00 179.97 181.01 3i8i s THR 189 N -5.25 4.50 -0.12 2.04 -4.23 -1.05 -4.99 115.64 106.53 3i8i s THR 189 Ca -0.12 0.22 0.19 0.00 -1.18 0.00 0.00 61.69 60.80 3i8i s THR 189 Cb 0.13 -3.74 -0.22 0.00 1.34 0.00 0.00 72.50 70.01 3i8i s THR 189 CO 0.82 -0.77 0.53 -0.62 -0.54 0.00 0.00 174.62 174.05 3i8i n GLU 190 N -2.42 0.65 -5.04 3.99 1.02 -1.18 -4.94 120.64 112.73 3i8i n GLU 190 Ca 0.02 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.91 3i8i n GLU 190 Cb 0.56 -1.64 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 3i8i n GLU 190 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3i8i s ARG 191 N -3.03 1.80 -0.46 3.49 0.52 -0.73 -4.86 118.95 115.68 3i8i s ARG 191 Ca -0.06 -0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 54.31 3i8i s ARG 191 Cb 0.10 -1.69 0.12 0.00 0.52 0.00 0.00 34.95 33.99 3i8i s ARG 191 CO 0.85 0.42 0.32 -1.17 0.02 0.00 0.00 175.30 175.74 3i8i s LEU 192 N -0.40 5.63 -0.26 2.53 0.20 -1.14 0.00 118.68 125.24 3i8i s LEU 192 Ca 0.06 -1.94 -0.05 0.00 0.69 0.00 0.00 54.13 52.89 3i8i s LEU 192 Cb -0.09 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.69 3i8i s LEU 192 CO -0.00 -0.67 0.01 -0.69 -0.29 0.00 0.00 176.35 174.72 3i8i s VAL 193 N 1.32 3.64 -0.12 1.68 1.01 -1.00 -0.43 120.40 126.49 3i8i s VAL 193 Ca 0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 3i8i s VAL 193 Cb -0.26 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3i8i s VAL 193 CO -0.01 0.25 0.32 0.00 0.00 0.00 0.00 175.10 175.66 3i8i s MET 194 N 1.48 0.37 1.03 2.72 0.23 -0.70 -0.70 119.30 123.72 3i8i s MET 194 Ca 0.04 0.47 -0.13 0.00 -1.03 0.00 0.00 55.69 55.03 3i8i s MET 194 Cb -0.16 0.16 0.20 0.00 -1.53 0.00 0.00 34.83 33.51 3i8i s MET 194 CO -0.00 -0.05 1.10 0.16 -2.03 0.00 0.00 175.02 174.19 3i8i s ASP 195 N 0.27 2.41 0.19 -1.18 1.47 -1.21 -2.71 116.67 115.92 3i8i s ASP 195 Ca -0.01 1.08 -0.13 0.00 1.18 0.00 0.00 52.55 54.68 3i8i s ASP 195 Cb -0.03 -1.69 0.22 0.00 -0.34 0.00 0.00 42.92 41.08 3i8i s ASP 195 CO -0.01 -3.25 1.68 -0.07 0.68 0.00 0.00 175.17 174.20 3i8i h LEU 196 N -1.98 -0.20-10.39 2.11 3.38 -1.92 -3.00 115.31 103.32 3i8i h LEU 196 Ca -0.54 0.13 -0.43 0.00 0.09 0.00 0.00 57.88 57.13 3i8i h LEU 196 Cb 1.33 0.22 0.18 0.00 0.09 0.00 0.00 40.66 42.47 3i8i h LEU 196 CO 0.56 -0.07 0.16 -1.81 0.09 0.00 0.00 178.44 177.37 3i8i s ASP 197 N -5.25 1.65 0.00 -0.43 -0.00 -1.26 -2.17 116.67 109.21 3i8i s ASP 197 Ca -0.13 0.84 0.00 0.00 -0.00 0.00 0.00 52.55 53.26 3i8i s ASP 197 Cb 0.17 -1.26 0.00 0.00 -0.00 0.00 0.00 42.92 41.83 3i8i s ASP 197 CO 0.73 -3.69 0.00 0.00 -0.00 0.00 0.00 175.17 172.20 3i8i n ALA 198 N -4.50 0.00 0.23 5.23 0.00 -1.26 -4.14 120.51 116.07 3i8i n ALA 198 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3i8i n ALA 198 Cb 0.59 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.39 3i8i n ALA 198 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3i8i h TRP 199 N 0.00 0.00 0.11 0.00 2.91 -1.32 0.24 115.95 117.89 3i8i h TRP 199 Ca 0.00 0.00 -0.22 0.00 1.13 0.00 0.00 58.89 59.80 3i8i h TRP 199 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3i8i h TRP 199 CO 0.00 0.08 -1.08 0.93 -1.03 0.00 0.00 178.44 177.35 3i8i h GLU 200 N 0.00 0.23 0.00 2.65 4.39 -1.59 -1.17 114.58 119.08 3i8i h GLU 200 Ca -0.00 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 3i8i h GLU 200 Cb 0.85 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3i8i h GLU 200 CO 0.01 1.19 -0.00 -0.24 -1.16 0.00 0.00 179.01 178.80 3i8i h VAL 201 N -0.43 0.01 0.19 3.13 3.04 -1.83 0.91 116.25 121.28 3i8i h VAL 201 Ca -0.22 -0.43 -0.33 0.00 -1.01 0.00 0.00 66.70 64.71 3i8i h VAL 201 Cb 1.63 1.42 0.01 0.00 -2.01 0.00 0.00 31.29 32.34 3i8i h VAL 201 CO 0.07 0.00 -1.62 0.15 -1.01 0.00 0.00 177.57 175.16 3i8i h PHE 202 N 0.00 0.71 0.00 3.17 3.57 -0.56 -0.25 116.94 123.59 3i8i h PHE 202 Ca -0.00 -0.52 0.00 0.00 3.53 0.00 0.00 57.97 60.98 3i8i h PHE 202 Cb 0.42 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3i8i h PHE 202 CO 0.00 1.63 0.00 0.94 -2.23 0.00 0.00 178.31 178.65 3i8i n GLN 203 N -3.69 0.17 -0.07 1.11 -0.06 -0.44 -2.08 117.38 112.31 3i8i n GLN 203 Ca -0.23 0.38 -0.05 0.00 -2.00 0.00 0.00 57.00 55.10 3i8i n GLN 203 Cb 1.04 -1.81 -0.16 0.00 -4.06 0.00 0.00 30.24 25.26 3i8i n GLN 203 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3i8i n ASN 204 N -2.12 0.11 0.16 1.69 5.03 0.26 -3.95 115.26 116.45 3i8i n ASN 204 Ca 0.02 0.05 0.09 0.00 0.87 0.00 0.00 54.58 55.61 3i8i n ASN 204 Cb 0.23 1.06 0.46 0.00 -1.02 0.00 0.00 39.78 40.51 3i8i n ASN 204 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i8i n ARG 205 N -2.69 0.11 -3.51 3.52 5.12 -0.11 -3.72 116.66 115.38 3i8i n ARG 205 Ca -0.25 0.60 -0.23 0.00 -1.93 0.00 0.00 57.85 56.04 3i8i n ARG 205 Cb 1.02 -2.04 -0.14 0.00 -1.16 0.00 0.00 32.46 30.15 3i8i n ARG 205 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3i8i s ILE 206 N -3.42 -0.22 0.00 0.55 1.10 -1.22 -4.96 121.20 113.03 3i8i s ILE 206 Ca -0.02 -0.37 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 3i8i s ILE 206 Cb 0.05 -0.79 0.00 0.00 0.15 0.00 0.00 42.46 41.86 3i8i s ILE 206 CO 0.15 -0.41 0.00 0.61 -2.11 0.00 0.00 174.94 173.18