#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n ARG 2 N 0.00 0.00 0.00 0.03 5.12 -1.26 -5.05 116.66 115.50 3i8i n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i8i n ARG 2 Cb 0.00 -2.49 0.00 0.00 -1.16 0.00 0.00 32.46 28.81 3i8i n ARG 2 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3i8i n HIS 3 N -1.93 0.00 0.00 -1.55 8.25 -1.26 -4.42 115.22 114.31 3i8i n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i8i n HIS 3 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 3i8i n HIS 3 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i8i n LEU 4 N 0.00 0.00 -4.76 2.41 7.99 -1.26 -4.73 117.00 116.66 3i8i n LEU 4 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.60 3i8i n LEU 4 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 3i8i n LEU 4 CO 0.00 0.00 0.71 -0.54 -1.51 0.00 0.00 177.39 176.05 3i8i s LYS 5 N 0.00 4.71 0.25 3.23 1.02 -1.26 -5.05 119.74 122.63 3i8i s LYS 5 Ca 0.00 1.60 0.11 0.00 0.02 0.00 0.00 55.97 57.70 3i8i s LYS 5 Cb 0.00 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 3i8i s LYS 5 CO 0.00 0.34 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.51 3i8i s SER 6 N -1.12 3.93 0.00 2.83 0.01 -1.26 -5.06 113.70 113.04 3i8i s SER 6 Ca 0.44 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3i8i s SER 6 Cb -0.28 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.44 3i8i s SER 6 CO 0.35 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.66 3i8i n GLY 7 N -0.44 0.49 3.82 3.44 0.00 -1.26 -5.03 105.19 106.21 3i8i n GLY 7 Ca -0.08 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3i8i n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8i s ARG 8 N -4.89 4.11 -0.28 1.61 0.52 -1.26 -5.05 118.95 113.71 3i8i s ARG 8 Ca 0.00 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.37 3i8i s ARG 8 Cb 0.00 -2.16 0.07 0.00 0.52 0.00 0.00 34.95 33.38 3i8i s ARG 8 CO 0.00 -0.14 -0.05 0.21 0.02 0.00 0.00 175.30 175.34 3i8i s LYS 9 N -3.35 1.90 -0.97 3.54 2.20 -1.26 -5.05 119.74 116.76 3i8i s LYS 9 Ca 0.62 -1.46 -0.01 0.00 -0.36 0.00 0.00 55.97 54.77 3i8i s LYS 9 Cb -0.10 -2.93 0.32 0.00 -1.51 0.00 0.00 37.83 33.61 3i8i s LYS 9 CO 0.17 -0.69 1.59 1.28 -0.36 0.00 0.00 175.35 177.34 3i8i n LEU 10 N 4.42 6.62 -4.21 5.43 4.77 -1.26 -4.75 117.00 128.02 3i8i n LEU 10 Ca -0.08 -5.39 -0.36 0.00 -0.03 0.00 0.00 56.01 50.15 3i8i n LEU 10 Cb 0.42 -1.09 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 3i8i n LEU 10 CO 0.21 2.01 -0.13 0.59 -1.33 0.00 0.00 177.39 178.73 3i8i n ASN 11 N 0.28 -1.68 -4.08 -1.43 3.02 -1.26 -4.87 115.26 105.24 3i8i n ASN 11 Ca 0.39 -0.98 -0.09 0.00 -0.03 0.00 0.00 54.58 53.87 3i8i n ASN 11 Cb 0.30 -1.49 -0.10 0.00 -0.61 0.00 0.00 39.78 37.88 3i8i n ASN 11 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3i8i s ARG 12 N -6.82 0.59 0.56 3.52 0.52 -1.26 -5.08 118.95 110.98 3i8i s ARG 12 Ca 0.71 -1.08 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 3i8i s ARG 12 Cb -0.41 0.05 0.05 0.00 0.52 0.00 0.00 34.95 35.16 3i8i s ARG 12 CO 0.87 -0.06 0.78 -3.38 0.02 0.00 0.00 175.30 173.52 3i8i s HIS 13 N -3.13 2.47 0.00 -0.53 -3.43 -1.26 -4.78 115.29 104.63 3i8i s HIS 13 Ca 0.02 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 3i8i s HIS 13 Cb 0.02 -2.67 0.00 0.00 -1.43 0.00 0.00 32.58 28.50 3i8i s HIS 13 CO -0.06 -0.97 0.81 -1.13 -2.00 0.00 0.00 174.74 171.38 3i8i n SER 14 N -2.33 0.00 -0.23 7.38 3.41 -1.26 -0.80 113.62 119.79 3i8i n SER 14 Ca 0.10 0.81 -0.00 0.00 -0.26 0.00 0.00 58.87 59.52 3i8i n SER 14 Cb 0.60 -0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.31 3i8i n SER 14 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i8i h SER 15 N 0.00 -0.64 0.29 4.04 4.64 -1.99 -0.57 113.55 119.32 3i8i h SER 15 Ca 0.00 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3i8i h SER 15 Cb 0.00 0.42 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3i8i h SER 15 CO 0.00 -0.22 -0.26 -0.74 -0.87 0.00 0.00 176.83 174.74 3i8i h HIS 16 N -0.01 -0.68 -0.31 4.77 -0.00 -1.89 0.62 115.15 117.65 3i8i h HIS 16 Ca 0.32 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.75 3i8i h HIS 16 Cb 0.49 0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 28.11 3i8i h HIS 16 CO -0.55 -0.38 -0.01 -0.09 -0.00 0.00 0.00 177.93 176.90 3i8i h ARG 17 N -0.57 0.07 -0.41 5.26 2.43 -0.18 0.37 114.38 121.35 3i8i h ARG 17 Ca -0.02 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3i8i h ARG 17 Cb 0.51 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3i8i h ARG 17 CO -0.03 0.05 0.01 1.25 -1.51 0.00 0.00 179.97 179.73 3i8i h LEU 18 N 0.08 0.62 0.00 3.80 7.12 -0.98 0.14 115.31 126.09 3i8i h LEU 18 Ca 0.15 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.03 3i8i h LEU 18 Cb 0.20 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 3i8i h LEU 18 CO -0.26 0.68 0.00 0.00 -0.13 0.00 0.00 178.44 178.73 3i8i n ALA 19 N -2.47 1.99 -0.03 1.25 0.00 0.19 -1.34 120.51 120.10 3i8i n ALA 19 Ca 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 3i8i n ALA 19 Cb 0.27 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 3i8i n ALA 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i8i h LEU 20 N 0.00 0.00 -0.94 0.00 5.85 0.94 -2.76 115.31 118.40 3i8i h LEU 20 Ca 0.00 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.96 3i8i h LEU 20 Cb 0.37 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.23 3i8i h LEU 20 CO 0.00 0.27 -0.00 1.88 -0.34 0.00 0.00 178.44 180.25 3i8i h TYR 21 N -0.44 -0.09 -0.31 1.25 0.99 -1.16 0.72 116.97 117.93 3i8i h TYR 21 Ca 0.00 0.07 0.03 0.00 2.00 0.00 0.00 58.73 60.83 3i8i h TYR 21 Cb 0.10 0.19 -0.03 0.00 1.00 0.00 0.00 36.73 37.99 3i8i h TYR 21 CO -0.04 -0.38 0.13 0.00 -0.00 0.00 0.00 178.16 177.87 3i8i h ARG 22 N 0.04 0.28 -0.39 4.88 3.08 -1.36 0.41 114.38 121.33 3i8i h ARG 22 Ca 0.54 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.45 3i8i h ARG 22 Cb 1.06 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3i8i h ARG 22 CO -0.87 0.18 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.03 3i8i h ASN 23 N 0.29 0.84 -0.41 7.04 -0.26 0.50 -1.87 115.58 121.70 3i8i h ASN 23 Ca 0.13 -0.33 -0.05 0.00 -0.56 0.00 0.00 56.30 55.49 3i8i h ASN 23 Cb 0.07 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.08 3i8i h ASN 23 CO -0.11 1.06 0.09 1.56 -1.06 0.00 0.00 177.43 178.97 3i8i h GLN 24 N 0.70 0.74 0.63 0.81 4.20 0.24 -1.26 115.11 121.16 3i8i h GLN 24 Ca 0.08 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3i8i h GLN 24 Cb 0.81 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.49 3i8i h GLN 24 CO 0.07 0.70 -0.30 0.00 -0.67 0.00 0.00 178.83 178.62 3i8i h ALA 25 N 1.38 -1.23 -0.98 3.87 0.00 -0.57 0.35 119.26 122.09 3i8i h ALA 25 Ca 0.16 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.07 3i8i h ALA 25 Cb 0.31 0.33 -0.18 0.00 0.00 0.00 0.00 17.79 18.24 3i8i h ALA 25 CO 0.00 -1.17 -0.27 0.87 0.00 0.00 0.00 179.25 178.69 3i8i h LYS 26 N -0.84 -0.00 0.74 0.00 1.57 -1.21 0.14 116.57 116.97 3i8i h LYS 26 Ca -0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3i8i h LYS 26 Cb 0.65 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 3i8i h LYS 26 CO 0.14 -0.00 -0.43 0.77 -0.57 0.00 0.00 179.45 179.36 3i8i h SER 27 N -0.00 -1.08 -0.79 0.86 0.02 -0.87 -3.04 113.55 108.65 3i8i h SER 27 Ca 0.45 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.58 3i8i h SER 27 Cb 0.70 0.31 -0.08 0.00 0.14 0.00 0.00 62.40 63.47 3i8i h SER 27 CO -1.01 -0.68 0.39 0.25 -1.14 0.00 0.00 176.83 174.64 3i8i h LEU 28 N -1.09 0.49 -1.19 5.07 7.12 0.14 0.15 115.31 125.99 3i8i h LEU 28 Ca -0.10 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.99 3i8i h LEU 28 Cb 0.87 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.00 3i8i h LEU 28 CO 0.12 0.24 0.00 0.18 -0.13 0.00 0.00 178.44 178.84 3i8i n LEU 29 N -4.87 1.24 0.00 2.25 4.32 0.31 -1.39 117.00 118.86 3i8i n LEU 29 Ca 0.14 -0.62 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 3i8i n LEU 29 Cb 0.36 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 3i8i n LEU 29 CO 0.22 0.27 -0.37 0.41 -1.22 0.00 0.00 177.39 176.70 3i8i n THR 30 N 0.14 0.00 0.63 -5.08 -1.04 0.50 -4.75 114.28 104.68 3i8i n THR 30 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 3i8i n THR 30 Cb 0.27 -0.48 0.05 0.00 -1.82 0.00 0.00 70.33 68.35 3i8i n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3i8i n HIS 31 N -2.33 0.00 0.00 -1.42 8.25 -1.03 -4.95 115.22 113.74 3i8i n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i8i n HIS 31 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3i8i n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8i n GLY 32 N 0.88 2.09 3.42 -1.41 0.00 -0.49 -4.86 105.19 104.82 3i8i n GLY 32 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 3i8i n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8i s ARG 33 N 0.00 0.82 0.00 1.61 3.52 -1.25 -0.91 118.95 122.74 3i8i s ARG 33 Ca 0.00 0.31 -0.07 0.00 -0.13 0.00 0.00 55.73 55.84 3i8i s ARG 33 Cb 0.00 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 3i8i s ARG 33 CO 0.00 -0.21 0.14 0.42 -0.81 0.00 0.00 175.30 174.84 3i8i s ILE 34 N -0.74 0.08 -0.19 4.11 -1.09 0.38 -4.86 121.20 118.89 3i8i s ILE 34 Ca -0.08 -0.69 -0.02 0.00 -2.23 0.00 0.00 60.65 57.62 3i8i s ILE 34 Cb -0.03 -0.43 -0.01 0.00 -1.58 0.00 0.00 42.46 40.41 3i8i s ILE 34 CO 0.05 -0.38 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.41 3i8i s THR 35 N -1.39 3.22 0.00 2.92 2.01 -1.26 -0.81 115.64 120.34 3i8i s THR 35 Ca -0.15 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3i8i s THR 35 Cb -0.08 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.01 3i8i s THR 35 CO 0.02 0.47 0.00 0.35 -0.69 0.00 0.00 174.62 174.76 3i8i n THR 36 N 4.32 0.00 -3.33 -0.82 -2.24 -0.25 -4.97 114.28 106.99 3i8i n THR 36 Ca -0.18 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 3i8i n THR 36 Cb 0.51 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 3i8i n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i8i s THR 37 N 0.10 4.83 0.27 4.28 -4.23 -1.26 -0.34 115.64 119.29 3i8i s THR 37 Ca 0.00 0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 61.36 3i8i s THR 37 Cb 0.00 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.37 3i8i s THR 37 CO 0.00 0.22 1.67 0.58 -0.54 0.00 0.00 174.62 176.55 3i8i h VAL 38 N 2.75 0.41 -0.12 2.29 2.07 -1.78 0.07 116.25 121.94 3i8i h VAL 38 Ca -0.48 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3i8i h VAL 38 Cb 1.19 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3i8i h VAL 38 CO 0.66 0.04 -0.08 -0.65 0.02 0.00 0.00 177.57 177.57 3i8i h PRO 39 N 0.24 0.26 -0.11 1.57 0.11 -1.93 0.44 132.00 132.58 3i8i h PRO 39 Ca 0.48 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.50 3i8i h PRO 39 Cb 0.90 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3i8i h PRO 39 CO -0.59 0.63 0.22 0.87 -0.21 0.00 0.00 178.00 178.92 3i8i h LYS 40 N -0.12 0.00 0.00 1.05 1.57 -1.68 -2.52 116.57 114.87 3i8i h LYS 40 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3i8i h LYS 40 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3i8i h LYS 40 CO 0.02 0.00 -0.32 0.00 -0.57 0.00 0.00 179.45 178.58 3i8i h ALA 41 N 1.67 0.03 0.00 3.86 0.00 -0.52 -3.06 119.26 121.23 3i8i h ALA 41 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i8i h ALA 41 Cb 0.49 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i8i h ALA 41 CO -0.00 0.26 0.28 1.63 0.00 0.00 0.00 179.25 181.42 3i8i n LYS 42 N -4.66 0.00 -0.12 0.00 5.02 0.10 0.05 118.16 118.56 3i8i n LYS 42 Ca -0.07 0.21 -0.16 0.00 -2.02 0.00 0.00 58.31 56.27 3i8i n LYS 42 Cb 0.23 -1.78 -0.12 0.00 -0.02 0.00 0.00 35.03 33.33 3i8i n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i8i n GLU 43 N -1.21 0.65 0.18 1.97 4.07 -1.06 -4.45 120.64 120.79 3i8i n GLU 43 Ca 0.00 0.12 0.17 0.00 -0.06 0.00 0.00 57.16 57.38 3i8i n GLU 43 Cb 0.28 -1.48 0.78 0.00 -0.06 0.00 0.00 31.44 30.97 3i8i n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i8i h LEU 44 N 0.00 0.00 0.00 4.31 6.46 -0.27 -3.27 115.31 122.54 3i8i h LEU 44 Ca -0.53 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3i8i h LEU 44 Cb 1.88 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.81 3i8i h LEU 44 CO -0.07 0.00 0.00 0.54 -0.62 0.00 0.00 178.44 178.29 3i8i n ARG 45 N -3.99 0.00 0.27 1.25 1.74 -1.18 -1.35 116.66 113.42 3i8i n ARG 45 Ca 0.02 0.19 0.09 0.00 -0.77 0.00 0.00 57.85 57.38 3i8i n ARG 45 Cb 0.35 -1.04 0.36 0.00 -1.02 0.00 0.00 32.46 31.11 3i8i n ARG 45 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3i8i h GLY 46 N 0.00 0.00 0.00 -0.13 0.00 -1.85 0.43 103.07 101.52 3i8i h GLY 46 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3i8i h GLY 46 CO 0.00 0.00 -0.16 -2.75 0.00 0.00 0.00 176.54 173.63 3i8i h PHE 47 N 0.00 0.00 0.10 5.60 3.57 -1.58 -3.11 116.94 121.52 3i8i h PHE 47 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3i8i h PHE 47 Cb 1.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.31 3i8i h PHE 47 CO 0.00 0.98 -0.05 0.28 -2.23 0.00 0.00 178.31 177.29 3i8i h VAL 48 N -1.00 1.06 -0.74 1.41 2.07 0.21 -2.57 116.25 116.69 3i8i h VAL 48 Ca -0.04 -0.66 0.15 0.00 0.82 0.00 0.00 66.70 66.97 3i8i h VAL 48 Cb 0.96 1.48 -0.14 0.00 -1.52 0.00 0.00 31.29 32.07 3i8i h VAL 48 CO -0.03 0.16 -0.16 0.44 0.02 0.00 0.00 177.57 178.01 3i8i h ASP 49 N -0.45 -0.64 -0.60 0.57 3.32 -1.16 0.66 116.42 118.12 3i8i h ASP 49 Ca -0.01 0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.31 3i8i h ASP 49 Cb 0.37 0.44 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 3i8i h ASP 49 CO 0.02 -0.24 0.33 -0.74 -1.72 0.00 0.00 179.24 176.89 3i8i h HIS 50 N 0.01 0.60 -0.51 4.55 2.76 -1.45 -0.61 115.15 120.51 3i8i h HIS 50 Ca 0.36 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 3i8i h HIS 50 Cb 0.57 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 3i8i h HIS 50 CO -0.57 0.29 0.29 -0.07 -1.30 0.00 0.00 177.93 176.58 3i8i h LEU 51 N 0.62 0.62 0.50 0.26 3.38 0.52 -2.50 115.31 118.71 3i8i h LEU 51 Ca 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i8i h LEU 51 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i8i h LEU 51 CO -0.17 0.51 -0.24 0.40 0.09 0.00 0.00 178.44 179.03 3i8i h ILE 52 N 0.67 0.00 -0.99 1.22 2.04 0.39 -2.22 117.51 118.63 3i8i h ILE 52 Ca 0.18 -0.01 0.29 0.00 1.00 0.00 0.00 64.86 66.32 3i8i h ILE 52 Cb 0.02 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 3i8i h ILE 52 CO -0.03 0.00 0.94 -0.74 0.00 0.00 0.00 178.15 178.32 3i8i h HIS 53 N -0.68 0.00 -0.19 1.37 2.76 -1.16 2.74 115.15 119.98 3i8i h HIS 53 Ca -0.07 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.94 3i8i h HIS 53 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 3i8i h HIS 53 CO 0.11 0.00 -0.51 1.25 -1.30 0.00 0.00 177.93 177.48 3i8i h LEU 54 N 0.00 0.77 -1.89 0.26 5.85 -1.08 -1.54 115.31 117.68 3i8i h LEU 54 Ca 0.47 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3i8i h LEU 54 Cb 2.35 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 43.15 3i8i h LEU 54 CO -0.00 1.21 -0.12 0.00 -0.34 0.00 0.00 178.44 179.19 3i8i h ALA 55 N 0.58 1.26 0.51 1.25 0.00 0.52 -1.17 119.26 122.22 3i8i h ALA 55 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i8i h ALA 55 Cb 1.13 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3i8i h ALA 55 CO 0.11 0.15 -0.25 -0.22 0.00 0.00 0.00 179.25 179.04 3i8i h LYS 56 N 0.00 -0.67 0.00 0.00 3.64 0.09 -0.75 116.57 118.88 3i8i h LYS 56 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i8i h LYS 56 Cb 0.35 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3i8i h LYS 56 CO 0.02 -0.36 0.03 -2.13 -2.27 0.00 0.00 179.45 174.74 3i8i n ARG 57 N -5.29 0.07 -0.12 1.90 0.00 -0.64 -4.78 116.66 107.80 3i8i n ARG 57 Ca -0.11 0.56 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 3i8i n ARG 57 Cb 0.32 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 31.00 3i8i n ARG 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8i n GLY 58 N -1.37 0.00 0.00 5.14 0.00 -0.29 -4.88 105.19 103.78 3i8i n GLY 58 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i8i n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8i n ASP 59 N 0.28 0.00 -0.07 1.61 5.68 -1.26 -4.85 116.55 117.94 3i8i n ASP 59 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.15 3i8i n ASP 59 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 3i8i n ASP 59 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3i8i n LEU 60 N 0.00 1.40 -0.17 -2.12 0.00 -1.26 -3.60 117.00 111.26 3i8i n LEU 60 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 56.01 56.07 3i8i n LEU 60 Cb 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 43.42 43.25 3i8i n LEU 60 CO 0.00 0.64 1.04 -0.74 0.00 0.00 0.00 177.39 178.33 3i8i h HIS 61 N 0.01 0.53 -1.00 1.96 2.76 -1.98 -1.14 115.15 116.30 3i8i h HIS 61 Ca -0.47 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.77 3i8i h HIS 61 Cb 2.07 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 30.80 3i8i h HIS 61 CO 0.02 0.29 0.65 0.00 -1.30 0.00 0.00 177.93 177.59 3i8i h ALA 62 N 1.25 1.37 -0.75 5.26 0.00 -1.88 -1.43 119.26 123.07 3i8i h ALA 62 Ca 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3i8i h ALA 62 Cb 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3i8i h ALA 62 CO -0.12 0.52 0.35 -0.09 0.00 0.00 0.00 179.25 179.92 3i8i h ARG 63 N 1.24 1.07 0.00 0.00 2.43 -1.29 -1.05 114.38 116.78 3i8i h ARG 63 Ca 0.40 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3i8i h ARG 63 Cb 0.04 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3i8i h ARG 63 CO -0.14 0.83 -0.42 0.00 -1.51 0.00 0.00 179.97 178.74 3i8i h ARG 64 N 1.06 0.00 0.10 0.20 3.08 -0.70 -0.42 114.38 117.70 3i8i h ARG 64 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3i8i h ARG 64 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i8i h ARG 64 CO -0.03 0.42 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.16 3i8i h LEU 65 N 0.00 -0.12 -1.99 3.04 4.07 -0.87 -2.85 115.31 116.60 3i8i h LEU 65 Ca -0.00 -0.21 0.06 0.00 0.08 0.00 0.00 57.88 57.80 3i8i h LEU 65 Cb 1.13 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 3i8i h LEU 65 CO 0.05 0.45 0.15 0.58 -1.08 0.00 0.00 178.44 178.60 3i8i h VAL 66 N -1.00 0.90 0.00 1.22 2.07 -1.30 0.36 116.25 118.50 3i8i h VAL 66 Ca -0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3i8i h VAL 66 Cb 0.32 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3i8i h VAL 66 CO 0.02 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.51 3i8i n LEU 67 N -4.48 0.13 0.09 2.57 7.94 -0.17 -2.07 117.00 121.02 3i8i n LEU 67 Ca 0.02 0.52 -0.21 0.00 -1.11 0.00 0.00 56.01 55.24 3i8i n LEU 67 Cb 0.28 -0.50 -0.12 0.00 0.53 0.00 0.00 43.42 43.61 3i8i n LEU 67 CO 0.35 -0.22 -0.04 0.03 -1.11 0.00 0.00 177.39 176.40 3i8i h ARG 68 N 0.00 0.56 -0.02 1.96 3.08 -0.02 -2.00 114.38 117.94 3i8i h ARG 68 Ca 0.00 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.30 3i8i h ARG 68 Cb 0.36 0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3i8i h ARG 68 CO 0.00 1.33 -0.04 -0.25 -1.07 0.00 0.00 179.97 179.94 3i8i n ASP 69 N -3.75 1.67 0.00 7.04 10.43 -1.05 -4.43 116.55 126.47 3i8i n ASP 69 Ca -0.12 -1.50 0.00 0.00 2.57 0.00 0.00 54.79 55.73 3i8i n ASP 69 Cb 0.98 0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.96 3i8i n ASP 69 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3i8i n LEU 70 N 0.25 1.71 0.00 0.64 4.77 -0.88 -4.82 117.00 118.66 3i8i n LEU 70 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i8i n LEU 70 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i8i n LEU 70 CO 0.18 0.28 0.00 0.00 -1.33 0.00 0.00 177.39 176.52 3i8i n GLN 71 N -2.21 0.00 -3.01 3.23 3.00 -0.75 -4.91 117.38 112.73 3i8i n GLN 71 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3i8i n GLN 71 Cb 0.46 -2.62 -0.06 0.00 0.00 0.00 0.00 30.24 28.02 3i8i n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i8i s ASP 72 N -0.88 6.40 0.16 1.08 3.68 -1.26 -4.92 116.67 120.93 3i8i s ASP 72 Ca 0.00 -0.13 -0.23 0.00 2.13 0.00 0.00 52.55 54.32 3i8i s ASP 72 Cb 0.00 -2.37 0.04 0.00 -1.45 0.00 0.00 42.92 39.15 3i8i s ASP 72 CO 0.00 -0.86 1.61 0.58 0.13 0.00 0.00 175.17 176.63 3i8i h VAL 73 N 5.93 0.29 -4.33 1.11 2.07 -1.96 -2.74 116.25 116.62 3i8i h VAL 73 Ca -0.25 0.00 -0.51 0.00 0.82 0.00 0.00 66.70 66.76 3i8i h VAL 73 Cb 1.09 0.29 0.10 0.00 -1.52 0.00 0.00 31.29 31.25 3i8i h VAL 73 CO 0.94 0.00 0.36 -0.54 0.02 0.00 0.00 177.57 178.35 3i8i s LYS 74 N -6.03 2.86 0.00 1.57 1.02 -1.26 -1.19 119.74 116.70 3i8i s LYS 74 Ca -0.15 0.98 0.00 0.00 0.02 0.00 0.00 55.97 56.82 3i8i s LYS 74 Cb 0.13 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 3i8i s LYS 74 CO 0.68 -1.16 0.00 -0.11 -0.92 0.00 0.00 175.35 173.83 3i8i n LEU 75 N -3.18 0.00 0.02 3.17 -0.00 -1.26 -4.36 117.00 111.39 3i8i n LEU 75 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.97 3i8i n LEU 75 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.96 3i8i n LEU 75 CO 0.55 0.00 0.36 0.58 -0.00 0.00 0.00 177.39 178.88 3i8i h VAL 76 N 0.00 1.34 0.63 1.96 2.07 -1.17 0.51 116.25 121.59 3i8i h VAL 76 Ca 0.00 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.45 3i8i h VAL 76 Cb 0.00 2.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3i8i h VAL 76 CO 0.00 0.62 -0.30 -0.09 0.02 0.00 0.00 177.57 177.82 3i8i h ARG 77 N 0.37 -0.81 -1.02 1.57 2.43 -1.35 -0.14 114.38 115.43 3i8i h ARG 77 Ca -0.03 0.06 0.28 0.00 -0.81 0.00 0.00 59.98 59.48 3i8i h ARG 77 Cb 1.29 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.97 3i8i h ARG 77 CO 0.13 -0.50 0.71 -0.22 -1.51 0.00 0.00 179.97 178.58 3i8i h LYS 78 N -1.13 0.12 -0.10 0.20 3.64 -1.83 0.94 116.57 118.41 3i8i h LYS 78 Ca -0.09 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3i8i h LYS 78 Cb 0.68 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3i8i h LYS 78 CO 0.14 0.08 -0.17 1.25 -2.27 0.00 0.00 179.45 178.48 3i8i h LEU 79 N 0.12 0.32 0.09 5.20 6.46 0.38 -1.89 115.31 126.00 3i8i h LEU 79 Ca 0.51 -0.55 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3i8i h LEU 79 Cb 1.79 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 3i8i h LEU 79 CO -0.08 0.81 -0.05 -0.26 -0.62 0.00 0.00 178.44 178.24 3i8i h PHE 80 N -0.16 -0.12 -2.24 1.25 0.05 0.10 -0.89 116.94 114.93 3i8i h PHE 80 Ca 0.01 -0.00 -0.63 0.00 3.82 0.00 0.00 57.97 61.17 3i8i h PHE 80 Cb 0.75 0.04 -0.39 0.00 2.00 0.00 0.00 35.95 38.35 3i8i h PHE 80 CO 0.11 0.29 -0.36 -0.40 -0.18 0.00 0.00 178.31 177.77 3i8i n ASP 81 N -4.95 5.00 0.00 2.17 3.85 -0.24 -4.01 116.55 118.37 3i8i n ASP 81 Ca -0.09 -3.69 0.00 0.00 -0.71 0.00 0.00 54.79 50.30 3i8i n ASP 81 Cb 0.24 -0.66 0.00 0.00 -1.35 0.00 0.00 41.12 39.35 3i8i n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3i8i n GLU 82 N -0.23 0.00 -0.05 0.11 1.02 -1.15 -4.87 120.64 115.46 3i8i n GLU 82 Ca 0.34 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.47 3i8i n GLU 82 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.80 3i8i n GLU 82 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i8i h ILE 83 N 0.00 0.00 -0.74 -3.67 1.08 -1.32 -3.39 117.51 109.47 3i8i h ILE 83 Ca 0.00 -0.89 0.12 0.00 -0.39 0.00 0.00 64.86 63.71 3i8i h ILE 83 Cb 0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.62 3i8i h ILE 83 CO 0.00 0.00 -0.34 0.00 -0.69 0.00 0.00 178.15 177.12 3i8i h ALA 84 N -1.11 0.06 -0.77 1.87 0.00 -1.29 -2.61 119.26 115.41 3i8i h ALA 84 Ca 0.00 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3i8i h ALA 84 Cb 0.11 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 3i8i h ALA 84 CO 0.00 -0.64 -0.45 -2.30 0.00 0.00 0.00 179.25 175.86 3i8i n PRO 85 N -5.45 -0.34 0.00 0.00 -0.02 -1.26 0.29 135.00 128.21 3i8i n PRO 85 Ca 0.07 1.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.92 3i8i n PRO 85 Cb 0.37 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3i8i n PRO 85 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i8i n ARG 86 N -4.73 0.00 0.00 -0.52 1.74 -0.98 -0.52 116.66 111.65 3i8i n ARG 86 Ca 0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3i8i n ARG 86 Cb 0.20 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3i8i n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i8i n TYR 87 N -0.95 0.00 -0.13 -1.55 4.01 0.14 -4.85 117.16 113.83 3i8i n TYR 87 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 3i8i n TYR 87 Cb 0.34 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.56 3i8i n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3i8i n ARG 88 N -1.41 -0.03 0.02 -0.72 0.00 0.32 0.74 116.66 115.58 3i8i n ARG 88 Ca 0.00 0.57 -0.19 0.00 -0.00 0.00 0.00 57.85 58.23 3i8i n ARG 88 Cb 0.03 -0.97 -0.14 0.00 0.00 0.00 0.00 32.46 31.38 3i8i n ARG 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3i8i h ASP 89 N 0.00 0.35 -3.61 6.15 3.32 -1.89 -3.45 116.42 117.28 3i8i h ASP 89 Ca 0.30 -0.96 -0.51 0.00 0.02 0.00 0.00 57.03 55.88 3i8i h ASP 89 Cb 0.75 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 40.20 3i8i h ASP 89 CO -0.33 1.30 0.52 -0.60 -1.72 0.00 0.00 179.24 178.40 3i8i s ARG 90 N -2.38 4.56 -0.09 3.56 3.52 0.23 -5.05 118.95 123.30 3i8i s ARG 90 Ca -0.15 1.83 0.01 0.00 -0.13 0.00 0.00 55.73 57.28 3i8i s ARG 90 Cb -0.00 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 3i8i s ARG 90 CO 0.79 0.04 -0.09 1.14 -0.81 0.00 0.00 175.30 176.37 3i8i s GLN 91 N -0.68 1.50 0.00 5.12 0.00 -1.26 -4.88 119.66 119.46 3i8i s GLN 91 Ca 0.49 -0.29 0.00 0.00 -0.00 0.00 0.00 55.36 55.56 3i8i s GLN 91 Cb -0.32 -1.42 0.00 0.00 0.00 0.00 0.00 33.01 31.27 3i8i s GLN 91 CO 0.38 -0.13 0.00 0.41 0.00 0.00 0.00 175.29 175.95 3i8i n GLY 92 N 4.41 -1.22 1.52 2.60 0.00 -1.26 -5.01 105.19 106.23 3i8i n GLY 92 Ca -0.18 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 3i8i n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 93 N 0.60 0.30 0.08 -0.02 0.00 -1.26 -4.95 105.19 99.95 3i8i n GLY 93 Ca 0.00 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.83 3i8i n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8i n TYR 94 N -1.64 0.00 -4.15 1.61 0.53 -1.26 -4.79 117.16 107.46 3i8i n TYR 94 Ca -0.05 0.00 -0.17 0.00 -1.02 0.00 0.00 57.90 56.65 3i8i n TYR 94 Cb 0.53 -0.17 -0.15 0.00 -1.03 0.00 0.00 39.34 38.52 3i8i n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3i8i s THR 95 N -2.40 0.44 0.10 -0.72 -1.32 -1.26 -1.48 115.64 108.99 3i8i s THR 95 Ca 0.32 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 60.71 3i8i s THR 95 Cb 0.20 -0.41 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 3i8i s THR 95 CO 0.45 0.15 -0.17 -0.60 -2.21 0.00 0.00 174.62 172.24 3i8i s ARG 96 N 0.26 1.88 -0.16 7.08 3.52 -0.23 -4.88 118.95 126.43 3i8i s ARG 96 Ca -0.03 -1.12 -0.00 0.00 -0.13 0.00 0.00 55.73 54.45 3i8i s ARG 96 Cb -0.07 -2.16 0.04 0.00 -1.56 0.00 0.00 34.95 31.20 3i8i s ARG 96 CO -0.00 0.50 -0.08 0.08 -0.81 0.00 0.00 175.30 174.98 3i8i s VAL 97 N -1.11 1.26 0.05 7.11 1.01 -1.26 -1.78 120.40 125.67 3i8i s VAL 97 Ca 0.18 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3i8i s VAL 97 Cb -0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3i8i s VAL 97 CO 0.10 0.23 -0.04 -0.76 0.00 0.00 0.00 175.10 174.63 3i8i s LEU 98 N 1.58 3.32 -0.27 3.92 1.43 -0.34 -4.96 118.68 123.36 3i8i s LEU 98 Ca 0.02 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3i8i s LEU 98 Cb -0.15 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3i8i s LEU 98 CO -0.08 0.22 0.08 -0.54 0.23 0.00 0.00 176.35 176.26 3i8i s LYS 99 N -1.93 3.38 0.72 1.70 1.02 -1.26 0.18 119.74 123.55 3i8i s LYS 99 Ca 0.22 -0.67 -0.15 0.00 0.02 0.00 0.00 55.97 55.39 3i8i s LYS 99 Cb -0.11 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3i8i s LYS 99 CO 0.13 -0.32 1.20 -0.51 -0.92 0.00 0.00 175.35 174.93 3i8i s LEU 100 N 1.56 3.33 0.09 3.17 2.01 -0.82 -4.92 118.68 123.10 3i8i s LEU 100 Ca 0.05 2.33 -0.12 0.00 0.01 0.00 0.00 54.13 56.39 3i8i s LEU 100 Cb -0.16 -4.59 -0.20 0.00 0.01 0.00 0.00 46.19 41.25 3i8i s LEU 100 CO 0.03 -2.19 1.22 0.00 1.01 0.00 0.00 176.35 176.42 3i8i h ALA 101 N -0.24 0.19 -2.25 4.21 0.00 -1.99 -3.42 119.26 115.75 3i8i h ALA 101 Ca -0.48 -0.69 -0.48 0.00 0.00 0.00 0.00 54.91 53.26 3i8i h ALA 101 Cb 1.29 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.15 3i8i h ALA 101 CO 0.50 0.71 0.39 -1.21 0.00 0.00 0.00 179.25 179.64 3i8i s GLU 102 N -3.35 3.77 -0.03 0.00 2.02 -1.26 -4.98 118.70 114.86 3i8i s GLU 102 Ca -0.09 0.93 0.07 0.00 0.02 0.00 0.00 54.97 55.90 3i8i s GLU 102 Cb 0.07 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3i8i s GLU 102 CO 0.91 -0.43 -0.25 1.03 0.02 0.00 0.00 175.26 176.55 3i8i s ARG 103 N -4.38 2.27 -0.21 1.61 0.52 -1.26 -3.52 118.95 113.98 3i8i s ARG 103 Ca 0.58 -0.91 -0.39 0.00 -0.52 0.00 0.00 55.73 54.49 3i8i s ARG 103 Cb -0.11 -2.10 -0.15 0.00 0.52 0.00 0.00 34.95 33.11 3i8i s ARG 103 CO 0.38 0.51 1.70 -2.13 0.02 0.00 0.00 175.30 175.78 3i8i n ARG 104 N 2.59 1.25 -2.90 3.54 3.00 -0.23 -4.75 116.66 119.15 3i8i n ARG 104 Ca -0.16 0.46 -0.43 0.00 -0.00 0.00 0.00 57.85 57.71 3i8i n ARG 104 Cb 0.51 -2.15 -0.04 0.00 0.00 0.00 0.00 32.46 30.78 3i8i n ARG 104 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3i8i s ARG 105 N 3.16 3.16 0.00 -0.14 1.70 -1.26 0.45 118.95 126.03 3i8i s ARG 105 Ca 0.96 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 55.49 3i8i s ARG 105 Cb -1.02 -4.17 0.00 0.00 -0.57 0.00 0.00 34.95 29.19 3i8i s ARG 105 CO 0.62 -1.65 0.00 0.41 -1.08 0.00 0.00 175.30 173.60 3i8i n GLY 106 N 5.25 0.09 0.00 3.88 0.00 -1.26 -4.87 105.19 108.29 3i8i n GLY 106 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i8i n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8i n ASP 107 N 0.00 0.00 -3.57 1.61 3.85 -1.22 -5.03 116.55 112.19 3i8i n ASP 107 Ca 0.00 -0.93 -0.26 0.00 -0.71 0.00 0.00 54.79 52.89 3i8i n ASP 107 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3i8i n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i8i n GLY 108 N 0.00 -0.49 3.73 6.12 0.00 0.17 -4.94 105.19 109.79 3i8i n GLY 108 Ca 0.00 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3i8i n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i s ALA 109 N -3.08 3.30 0.00 4.61 0.00 -1.22 -4.63 121.76 120.73 3i8i s ALA 109 Ca 0.50 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 3i8i s ALA 109 Cb -0.26 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3i8i s ALA 109 CO 0.62 -0.17 1.18 -1.25 0.00 0.00 0.00 175.76 176.14 3i8i s PRO 110 N 0.10 4.41 0.29 0.00 0.04 -1.26 -1.07 135.00 137.52 3i8i s PRO 110 Ca 0.50 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.29 3i8i s PRO 110 Cb -0.26 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 3i8i s PRO 110 CO 0.31 -0.32 0.37 -0.51 0.04 0.00 0.00 177.00 176.89 3i8i s LEU 111 N 1.57 4.00 0.00 -3.56 1.43 -1.23 -2.83 118.68 118.07 3i8i s LEU 111 Ca 0.57 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3i8i s LEU 111 Cb -0.26 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.32 3i8i s LEU 111 CO 0.26 -0.25 0.23 0.00 0.23 0.00 0.00 176.35 176.82 3i8i s ALA 112 N -2.13 -0.55 -0.01 4.21 0.00 0.54 -1.94 121.76 121.89 3i8i s ALA 112 Ca 0.39 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 3i8i s ALA 112 Cb -0.09 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 3i8i s ALA 112 CO 0.29 -0.27 0.32 -1.17 0.00 0.00 0.00 175.76 174.94 3i8i s LEU 113 N -1.51 4.41 -0.07 0.00 2.96 0.49 -1.09 118.68 123.87 3i8i s LEU 113 Ca -0.12 0.75 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 3i8i s LEU 113 Cb -0.05 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.09 3i8i s LEU 113 CO 0.02 0.30 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.62 3i8i s VAL 114 N -1.18 0.59 0.04 1.68 1.01 0.01 -1.20 120.40 121.35 3i8i s VAL 114 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 3i8i s VAL 114 Cb -0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3i8i s VAL 114 CO 0.13 0.27 -0.04 -1.83 0.00 0.00 0.00 175.10 173.63 3i8i s GLU 115 N 1.39 0.45 -0.02 2.72 -1.05 -0.74 -0.47 118.70 120.99 3i8i s GLU 115 Ca -0.03 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 3i8i s GLU 115 Cb -0.13 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.62 3i8i s GLU 115 CO -0.03 -0.06 1.17 -0.51 0.95 0.00 0.00 175.26 176.78 3i8i s LEU 116 N -2.03 4.31 0.00 1.83 1.43 -0.09 -1.07 118.68 123.07 3i8i s LEU 116 Ca -0.07 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3i8i s LEU 116 Cb -0.03 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3i8i s LEU 116 CO -0.04 -0.52 0.00 0.55 0.23 0.00 0.00 176.35 176.57 3i8i n VAL 117 N 4.35 0.00 -0.77 -1.59 3.14 -0.55 -4.87 118.33 118.04 3i8i n VAL 117 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 3i8i n VAL 117 Cb 0.47 -0.62 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 3i8i n VAL 117 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53