#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f n HIS 3 N 0.00 0.00 -1.62 -0.14 8.25 -1.26 -1.81 115.22 118.64 3i8f n HIS 3 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 3i8f n HIS 3 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 3i8f n HIS 3 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3i8f n LEU 4 N 0.00 -1.41 -4.65 2.41 7.99 -1.26 -4.99 117.00 115.10 3i8f n LEU 4 Ca 0.00 0.42 -0.40 0.00 -0.01 0.00 0.00 56.01 56.01 3i8f n LEU 4 Cb 0.00 -2.62 -0.06 0.00 -0.11 0.00 0.00 43.42 40.63 3i8f n LEU 4 CO 0.00 -0.91 0.42 -0.54 -1.51 0.00 0.00 177.39 174.85 3i8f s LYS 5 N -3.71 4.17 -0.21 3.23 1.02 -0.75 -5.03 119.74 118.47 3i8f s LYS 5 Ca 0.00 0.64 -0.09 0.00 0.02 0.00 0.00 55.97 56.54 3i8f s LYS 5 Cb 0.00 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 3i8f s LYS 5 CO 0.00 -0.34 0.11 -1.12 -0.92 0.00 0.00 175.35 173.08 3i8f s SER 6 N 1.32 5.94 0.00 2.83 0.01 -1.26 -4.84 113.70 117.70 3i8f s SER 6 Ca 0.29 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.68 3i8f s SER 6 Cb -0.16 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.03 3i8f s SER 6 CO 0.09 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.50 3i8f n GLY 7 N 3.76 3.46 3.77 3.44 0.00 -1.26 -5.10 105.19 113.26 3i8f n GLY 7 Ca -0.16 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 3i8f n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8f s ARG 8 N -4.99 2.09 -0.29 1.61 0.52 -1.26 -4.98 118.95 111.66 3i8f s ARG 8 Ca 0.00 0.96 0.15 0.00 -0.52 0.00 0.00 55.73 56.32 3i8f s ARG 8 Cb 0.00 -1.89 0.48 0.00 0.52 0.00 0.00 34.95 34.06 3i8f s ARG 8 CO 0.00 -1.70 1.13 0.36 0.02 0.00 0.00 175.30 175.11 3i8f n LYS 9 N -3.53 2.51 0.00 3.54 2.85 -1.26 -5.04 118.16 117.22 3i8f n LYS 9 Ca 0.08 -3.80 0.00 0.00 -1.05 0.00 0.00 58.31 53.54 3i8f n LYS 9 Cb 0.54 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.05 3i8f n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i8f n LEU 10 N -0.59 0.00 -2.90 -5.58 4.77 -1.26 -2.52 117.00 108.92 3i8f n LEU 10 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3i8f n LEU 10 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3i8f n LEU 10 CO 0.23 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.88 3i8f n ASN 11 N 0.00 0.00 -3.64 -1.43 5.03 -1.26 -4.82 115.26 109.14 3i8f n ASN 11 Ca 0.00 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 3i8f n ASN 11 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3i8f n ASN 11 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3i8f s ARG 12 N -3.59 0.92 -0.04 3.52 0.52 -1.05 -5.06 118.95 114.18 3i8f s ARG 12 Ca 0.00 -0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 3i8f s ARG 12 Cb 0.00 0.42 -0.05 0.00 0.52 0.00 0.00 34.95 35.84 3i8f s ARG 12 CO 0.00 -0.30 0.29 -3.38 0.02 0.00 0.00 175.30 171.93 3i8f s HIS 13 N -2.00 3.66 0.00 -0.53 -3.43 -1.26 -4.71 115.29 107.03 3i8f s HIS 13 Ca -0.08 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 3i8f s HIS 13 Cb -0.02 -2.12 0.00 0.00 -1.43 0.00 0.00 32.58 29.01 3i8f s HIS 13 CO 0.01 0.67 0.00 -1.13 -2.00 0.00 0.00 174.74 172.30 3i8f n SER 14 N 1.77 0.00 -0.33 7.38 3.41 -1.26 0.17 113.62 124.76 3i8f n SER 14 Ca -0.16 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.57 3i8f n SER 14 Cb 0.53 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.72 3i8f n SER 14 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i8f n SER 15 N -1.09 -0.17 0.06 4.04 2.88 -1.26 -0.16 113.62 117.91 3i8f n SER 15 Ca 0.00 1.62 -0.03 0.00 -1.33 0.00 0.00 58.87 59.14 3i8f n SER 15 Cb 0.00 -0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 3i8f n SER 15 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3i8f h HIS 16 N 0.00 -0.16 -0.97 0.66 -0.00 0.13 -2.81 115.15 112.00 3i8f h HIS 16 Ca 0.54 -0.00 0.21 0.00 -0.00 0.00 0.00 60.37 61.12 3i8f h HIS 16 Cb 1.05 0.05 -0.18 0.00 -0.00 0.00 0.00 27.41 28.33 3i8f h HIS 16 CO -0.55 -0.10 -0.18 -2.13 -0.00 0.00 0.00 177.93 174.97 3i8f n ARG 17 N -2.79 -0.09 0.13 5.26 0.63 -0.50 0.56 116.66 119.87 3i8f n ARG 17 Ca -0.02 1.50 -0.16 0.00 -0.92 0.00 0.00 57.85 58.25 3i8f n ARG 17 Cb 0.07 -2.28 -0.09 0.00 0.45 0.00 0.00 32.46 30.61 3i8f n ARG 17 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3i8f h LEU 18 N 0.00 -1.43 -0.79 6.15 7.12 -0.65 -1.11 115.31 124.60 3i8f h LEU 18 Ca 0.49 0.15 0.17 0.00 0.13 0.00 0.00 57.88 58.83 3i8f h LEU 18 Cb 0.82 0.53 -0.14 0.00 -0.53 0.00 0.00 40.66 41.34 3i8f h LEU 18 CO -0.98 -0.54 -0.09 0.00 -0.13 0.00 0.00 178.44 176.70 3i8f h ALA 19 N -0.42 0.70 -0.00 1.25 0.00 0.39 -1.24 119.26 119.95 3i8f h ALA 19 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i8f h ALA 19 Cb 0.74 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i8f h ALA 19 CO -0.25 -0.43 -0.03 1.25 0.00 0.00 0.00 179.25 179.79 3i8f h LEU 20 N 0.05 -0.09 -0.98 0.00 5.85 0.21 0.42 115.31 120.77 3i8f h LEU 20 Ca 0.41 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.48 3i8f h LEU 20 Cb 0.70 0.03 -0.18 0.00 0.37 0.00 0.00 40.66 41.59 3i8f h LEU 20 CO -0.75 -0.03 0.27 -1.22 -0.34 0.00 0.00 178.44 176.37 3i8f n TYR 21 N -2.68 0.88 0.09 1.25 0.53 -0.57 -0.05 117.16 116.62 3i8f n TYR 21 Ca -0.00 1.16 -0.13 0.00 -1.02 0.00 0.00 57.90 57.91 3i8f n TYR 21 Cb 0.02 -1.39 -0.08 0.00 -1.03 0.00 0.00 39.34 36.85 3i8f n TYR 21 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i8f h ARG 22 N 0.00 -0.24 0.00 -0.72 3.08 -0.23 -1.95 114.38 114.31 3i8f h ARG 22 Ca 0.71 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.78 3i8f h ARG 22 Cb 1.70 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.81 3i8f h ARG 22 CO -0.84 0.10 0.00 -0.91 -1.07 0.00 0.00 179.97 177.26 3i8f h ASN 23 N -0.63 0.00 0.00 7.04 -0.26 0.35 0.37 115.58 122.45 3i8f h ASN 23 Ca -0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.63 3i8f h ASN 23 Cb 0.46 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 3i8f h ASN 23 CO 0.04 0.00 -0.51 1.56 -1.06 0.00 0.00 177.43 177.46 3i8f h GLN 24 N 0.00 0.00 -0.67 0.81 1.08 -0.90 -3.20 115.11 112.24 3i8f h GLN 24 Ca 0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 3i8f h GLN 24 Cb 0.16 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 3i8f h GLN 24 CO 0.00 0.86 0.36 0.00 -0.95 0.00 0.00 178.83 179.10 3i8f h ALA 25 N -0.33 0.90 -0.83 3.87 0.00 -0.74 1.03 119.26 123.16 3i8f h ALA 25 Ca -0.13 0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.90 3i8f h ALA 25 Cb 1.00 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3i8f h ALA 25 CO -0.08 0.02 0.54 0.87 0.00 0.00 0.00 179.25 180.60 3i8f h LYS 26 N 0.65 0.75 0.00 0.00 1.57 -0.42 0.85 116.57 119.97 3i8f h LYS 26 Ca 0.31 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3i8f h LYS 26 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i8f h LYS 26 CO -0.20 0.50 -0.00 0.77 -0.57 0.00 0.00 179.45 179.95 3i8f h SER 27 N 0.78 -0.00 0.00 0.86 0.02 -0.52 -2.90 113.55 111.79 3i8f h SER 27 Ca 0.38 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3i8f h SER 27 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3i8f h SER 27 CO -0.15 0.95 0.01 0.25 -1.14 0.00 0.00 176.83 176.75 3i8f h LEU 28 N -0.95 0.00 -1.96 5.07 7.12 0.12 0.29 115.31 124.99 3i8f h LEU 28 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i8f h LEU 28 Cb 0.95 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 3i8f h LEU 28 CO 0.00 0.00 0.00 0.18 -0.13 0.00 0.00 178.44 178.49 3i8f n LEU 29 N -2.53 2.84 -0.00 2.25 4.32 0.27 -2.09 117.00 122.06 3i8f n LEU 29 Ca -0.02 -1.19 0.05 0.00 -0.02 0.00 0.00 56.01 54.83 3i8f n LEU 29 Cb 0.06 -0.08 -0.08 0.00 -1.62 0.00 0.00 43.42 41.70 3i8f n LEU 29 CO 0.13 0.54 -0.62 0.41 -1.22 0.00 0.00 177.39 176.64 3i8f n THR 30 N 1.15 0.01 -0.08 -5.08 -1.04 0.83 -4.65 114.28 105.42 3i8f n THR 30 Ca 0.13 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3i8f n THR 30 Cb 0.51 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 3i8f n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3i8f n HIS 31 N -1.84 0.00 0.00 -1.42 8.25 -0.08 -5.00 115.22 115.13 3i8f n HIS 31 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3i8f n HIS 31 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3i8f n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8f n GLY 32 N 0.52 0.71 3.03 -1.41 0.00 -0.89 -4.80 105.19 102.34 3i8f n GLY 32 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3i8f n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8f s ARG 33 N 0.00 1.99 0.05 1.61 0.52 -1.26 -1.04 118.95 120.83 3i8f s ARG 33 Ca 0.00 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3i8f s ARG 33 Cb 0.00 -1.71 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 3i8f s ARG 33 CO 0.00 -0.06 -0.12 0.42 0.02 0.00 0.00 175.30 175.57 3i8f s ILE 34 N 0.96 0.91 -0.20 1.52 -1.09 0.19 -4.90 121.20 118.60 3i8f s ILE 34 Ca -0.08 -1.11 -0.00 0.00 -2.23 0.00 0.00 60.65 57.23 3i8f s ILE 34 Cb -0.15 -0.89 0.05 0.00 -1.58 0.00 0.00 42.46 39.90 3i8f s ILE 34 CO -0.01 -0.20 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.58 3i8f s THR 35 N -1.14 1.21 0.00 2.92 2.01 -1.26 0.19 115.64 119.57 3i8f s THR 35 Ca -0.03 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3i8f s THR 35 Cb -0.09 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.95 3i8f s THR 35 CO 0.01 -0.02 0.00 0.35 -0.69 0.00 0.00 174.62 174.27 3i8f n THR 36 N 4.81 0.00 -2.33 -0.82 -2.24 -1.08 -4.98 114.28 107.65 3i8f n THR 36 Ca -0.12 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3i8f n THR 36 Cb 0.46 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3i8f n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i8f s THR 37 N 0.70 4.44 0.04 4.28 2.01 -1.26 -1.84 115.64 124.00 3i8f s THR 37 Ca 0.00 1.15 -0.32 0.00 0.31 0.00 0.00 61.69 62.83 3i8f s THR 37 Cb 0.00 -3.68 -0.18 0.00 0.01 0.00 0.00 72.50 68.65 3i8f s THR 37 CO 0.00 -0.68 1.35 0.58 -0.69 0.00 0.00 174.62 175.18 3i8f h VAL 38 N 0.80 0.00 -0.96 3.82 2.07 -1.79 -2.17 116.25 118.02 3i8f h VAL 38 Ca -0.47 -0.13 0.24 0.00 0.82 0.00 0.00 66.70 67.16 3i8f h VAL 38 Cb 1.19 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 3i8f h VAL 38 CO 0.61 0.00 0.52 -0.65 0.02 0.00 0.00 177.57 178.07 3i8f h PRO 39 N -1.30 0.48 0.41 1.57 0.11 -1.94 0.38 132.00 131.72 3i8f h PRO 39 Ca -0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3i8f h PRO 39 Cb 0.89 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 3i8f h PRO 39 CO 0.20 0.32 -0.48 0.87 -0.21 0.00 0.00 178.00 178.70 3i8f h LYS 40 N 0.50 -0.88 0.01 1.05 1.79 -1.93 -2.64 116.57 114.47 3i8f h LYS 40 Ca 0.62 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 59.16 3i8f h LYS 40 Cb 1.19 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 3i8f h LYS 40 CO -0.50 -0.59 -0.17 0.00 -1.08 0.00 0.00 179.45 177.11 3i8f h ALA 41 N -0.68 -0.65 -0.51 3.86 0.00 -0.34 0.27 119.26 121.21 3i8f h ALA 41 Ca -0.04 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3i8f h ALA 41 Cb 0.82 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3i8f h ALA 41 CO -0.10 -0.70 0.99 1.63 0.00 0.00 0.00 179.25 181.07 3i8f n LYS 42 N -3.43 0.02 -0.10 0.00 5.02 -0.08 0.17 118.16 119.77 3i8f n LYS 42 Ca -0.02 0.87 -0.20 0.00 -2.02 0.00 0.00 58.31 56.93 3i8f n LYS 42 Cb 0.13 -2.24 -0.12 0.00 -0.02 0.00 0.00 35.03 32.77 3i8f n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3i8f n GLU 43 N -2.67 0.67 0.12 1.97 4.07 -0.26 -4.48 120.64 120.06 3i8f n GLU 43 Ca 0.11 0.21 0.13 0.00 -0.06 0.00 0.00 57.16 57.56 3i8f n GLU 43 Cb 1.14 -1.58 0.64 0.00 -0.06 0.00 0.00 31.44 31.59 3i8f n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i8f h LEU 44 N -0.14 0.04 0.27 4.31 7.12 0.53 -3.11 115.31 124.32 3i8f h LEU 44 Ca -0.54 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.45 3i8f h LEU 44 Cb 1.87 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 42.00 3i8f h LEU 44 CO -0.09 0.02 -0.13 0.08 -0.13 0.00 0.00 178.44 178.20 3i8f h ARG 45 N 0.04 -0.35 -0.55 1.25 0.11 -1.67 -2.09 114.38 111.13 3i8f h ARG 45 Ca 0.13 0.02 0.10 0.00 0.10 0.00 0.00 59.98 60.33 3i8f h ARG 45 Cb 0.45 0.08 -0.08 0.00 1.11 0.00 0.00 29.97 31.52 3i8f h ARG 45 CO -0.01 -0.12 0.08 0.78 0.10 0.00 0.00 179.97 180.80 3i8f h GLY 46 N -0.53 0.66 0.58 0.08 0.00 -1.81 0.51 103.07 102.56 3i8f h GLY 46 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.32 3i8f h GLY 46 CO 0.06 -0.11 -0.18 -2.75 0.00 0.00 0.00 176.54 173.56 3i8f h PHE 47 N 0.21 -0.46 -0.32 5.60 3.57 -1.58 -2.58 116.94 121.38 3i8f h PHE 47 Ca 0.28 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 3i8f h PHE 47 Cb 0.42 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3i8f h PHE 47 CO -0.26 -0.25 -0.23 0.28 -2.23 0.00 0.00 178.31 175.61 3i8f h VAL 48 N -0.29 1.29 -0.84 1.41 2.07 -0.85 -2.96 116.25 116.09 3i8f h VAL 48 Ca 0.05 -1.38 0.16 0.00 0.82 0.00 0.00 66.70 66.36 3i8f h VAL 48 Cb 0.36 1.48 -0.16 0.00 -1.52 0.00 0.00 31.29 31.45 3i8f h VAL 48 CO -0.16 0.45 -0.23 0.44 0.02 0.00 0.00 177.57 178.08 3i8f h ASP 49 N 0.49 -0.86 -0.57 0.57 5.19 0.17 0.60 116.42 122.01 3i8f h ASP 49 Ca 0.06 0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 3i8f h ASP 49 Cb 0.79 0.54 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 3i8f h ASP 49 CO 0.06 -0.28 0.33 -0.74 -3.12 0.00 0.00 179.24 175.49 3i8f h HIS 50 N -0.01 0.77 0.00 4.55 2.76 -1.39 -1.05 115.15 120.78 3i8f h HIS 50 Ca 0.39 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3i8f h HIS 50 Cb 0.61 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 3i8f h HIS 50 CO -0.68 0.54 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.41 3i8f h LEU 51 N 0.77 0.00 0.02 0.26 3.38 0.22 -0.32 115.31 119.63 3i8f h LEU 51 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3i8f h LEU 51 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i8f h LEU 51 CO -0.03 0.02 -0.01 0.40 0.09 0.00 0.00 178.44 178.91 3i8f h ILE 52 N 0.00 0.00 0.00 1.22 1.08 0.20 -3.18 117.51 116.83 3i8f h ILE 52 Ca -0.00 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3i8f h ILE 52 Cb 0.07 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 3i8f h ILE 52 CO 0.00 0.00 0.57 -0.74 -0.69 0.00 0.00 178.15 177.29 3i8f h HIS 53 N -0.35 0.00 -0.01 1.37 2.76 -1.03 1.41 115.15 119.31 3i8f h HIS 53 Ca -0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3i8f h HIS 53 Cb 0.02 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.98 3i8f h HIS 53 CO 0.01 0.00 -0.06 1.25 -1.30 0.00 0.00 177.93 177.82 3i8f h LEU 54 N 0.00 0.07 -1.82 0.26 5.85 -1.15 -3.16 115.31 115.36 3i8f h LEU 54 Ca 0.00 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 3i8f h LEU 54 Cb 1.14 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3i8f h LEU 54 CO 0.00 0.78 -0.10 0.00 -0.34 0.00 0.00 178.44 178.79 3i8f h ALA 55 N 0.28 1.83 -0.56 1.25 0.00 0.19 -2.48 119.26 119.77 3i8f h ALA 55 Ca -0.01 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i8f h ALA 55 Cb 0.79 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 3i8f h ALA 55 CO 0.01 0.12 0.11 -0.22 0.00 0.00 0.00 179.25 179.27 3i8f h LYS 56 N 0.00 0.23 -0.69 0.00 1.63 -1.12 -0.17 116.57 116.46 3i8f h LYS 56 Ca -0.00 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 3i8f h LYS 56 Cb 0.17 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 3i8f h LYS 56 CO 0.01 0.15 0.18 0.00 -3.45 0.00 0.00 179.45 176.34 3i8f h ARG 57 N 0.24 1.08 0.00 1.90 3.08 -1.51 -3.47 114.38 115.70 3i8f h ARG 57 Ca 0.29 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3i8f h ARG 57 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3i8f h ARG 57 CO -0.38 0.95 0.00 0.41 -1.07 0.00 0.00 179.97 179.88 3i8f n GLY 58 N -0.73 1.83 3.50 0.04 0.00 -0.08 -5.00 105.19 104.76 3i8f n GLY 58 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3i8f n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8f n ASP 59 N 0.00 -1.22 -0.22 1.61 3.85 -1.26 -4.66 116.55 114.65 3i8f n ASP 59 Ca 0.00 0.32 0.02 0.00 -0.71 0.00 0.00 54.79 54.41 3i8f n ASP 59 Cb 0.00 -1.29 0.13 0.00 -1.35 0.00 0.00 41.12 38.61 3i8f n ASP 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3i8f h LEU 60 N -1.76 0.17 -0.54 -2.12 5.85 -2.00 -0.61 115.31 114.30 3i8f h LEU 60 Ca -0.45 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.48 3i8f h LEU 60 Cb 1.28 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.33 3i8f h LEU 60 CO 0.37 0.09 0.04 -0.74 -0.34 0.00 0.00 178.44 177.87 3i8f h HIS 61 N 0.37 0.05 -0.76 1.25 2.76 -1.98 0.11 115.15 116.95 3i8f h HIS 61 Ca 0.34 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.63 3i8f h HIS 61 Cb 0.48 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 3i8f h HIS 61 CO -0.19 -0.09 0.43 0.00 -1.30 0.00 0.00 177.93 176.78 3i8f h ALA 62 N 1.46 1.05 0.28 5.26 0.00 -1.44 0.13 119.26 126.00 3i8f h ALA 62 Ca 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3i8f h ALA 62 Cb 0.42 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i8f h ALA 62 CO -0.42 0.09 -0.13 -0.09 0.00 0.00 0.00 179.25 178.70 3i8f h ARG 63 N 0.76 -0.36 -0.83 0.00 2.43 -0.48 -0.52 114.38 115.38 3i8f h ARG 63 Ca 0.35 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.74 3i8f h ARG 63 Cb 0.27 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3i8f h ARG 63 CO -0.22 -0.16 0.56 0.00 -1.51 0.00 0.00 179.97 178.64 3i8f h ARG 64 N -0.48 0.30 0.24 0.20 2.47 -0.15 0.65 114.38 117.61 3i8f h ARG 64 Ca -0.04 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3i8f h ARG 64 Cb 0.36 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3i8f h ARG 64 CO 0.06 0.20 -0.12 -0.07 0.56 0.00 0.00 179.97 180.60 3i8f h LEU 65 N 0.30 -0.27 -0.43 3.04 4.07 -0.49 -3.28 115.31 118.25 3i8f h LEU 65 Ca 0.42 -0.14 0.09 0.00 0.08 0.00 0.00 57.88 58.32 3i8f h LEU 65 Cb 1.17 0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.90 3i8f h LEU 65 CO -0.12 0.23 -0.12 0.58 -1.08 0.00 0.00 178.44 177.93 3i8f h VAL 66 N -1.02 0.55 -0.18 1.22 2.07 -0.44 0.28 116.25 118.74 3i8f h VAL 66 Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3i8f h VAL 66 Cb 0.40 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3i8f h VAL 66 CO 0.05 0.00 0.75 0.25 0.02 0.00 0.00 177.57 178.65 3i8f h LEU 67 N -0.01 0.00 -0.38 2.57 5.85 0.21 0.60 115.31 124.15 3i8f h LEU 67 Ca 0.21 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3i8f h LEU 67 Cb 0.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3i8f h LEU 67 CO -0.45 0.00 -0.65 0.03 -0.34 0.00 0.00 178.44 177.03 3i8f h ARG 68 N 0.00 0.60 0.00 1.25 3.08 -0.49 -0.59 114.38 118.24 3i8f h ARG 68 Ca 0.09 -0.43 -0.19 0.00 0.07 0.00 0.00 59.98 59.51 3i8f h ARG 68 Cb 1.59 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.68 3i8f h ARG 68 CO -0.00 1.05 -1.45 -0.44 -1.07 0.00 0.00 179.97 178.06 3i8f h ASP 69 N 0.44 0.00 0.00 7.04 3.45 0.07 -3.41 116.42 124.02 3i8f h ASP 69 Ca -0.01 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.07 3i8f h ASP 69 Cb 1.23 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.93 3i8f h ASP 69 CO 0.12 0.67 -2.43 0.18 -1.57 0.00 0.00 179.24 176.22 3i8f n LEU 70 N -2.93 1.38 0.00 1.55 4.77 -0.64 -4.80 117.00 116.32 3i8f n LEU 70 Ca -0.11 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3i8f n LEU 70 Cb 0.88 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3i8f n LEU 70 CO 0.43 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.20 3i8f n GLN 71 N -2.99 0.00 -3.48 3.23 3.00 -0.23 -4.89 117.38 112.02 3i8f n GLN 71 Ca -0.39 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.18 3i8f n GLN 71 Cb 1.08 -3.72 -0.08 0.00 0.00 0.00 0.00 30.24 27.53 3i8f n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i8f s ASP 72 N -2.25 5.85 0.15 1.08 3.68 -1.26 -4.96 116.67 118.96 3i8f s ASP 72 Ca 0.00 -1.80 -0.26 0.00 2.13 0.00 0.00 52.55 52.62 3i8f s ASP 72 Cb 0.00 -2.07 -0.00 0.00 -1.45 0.00 0.00 42.92 39.40 3i8f s ASP 72 CO 0.00 -0.72 1.60 0.58 0.13 0.00 0.00 175.17 176.76 3i8f h VAL 73 N 6.04 0.22 0.00 1.11 2.07 -1.97 0.43 116.25 124.15 3i8f h VAL 73 Ca -0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3i8f h VAL 73 Cb 1.08 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3i8f h VAL 73 CO 0.90 0.00 0.00 1.17 0.02 0.00 0.00 177.57 179.66 3i8f n LYS 74 N -5.42 0.00 -0.43 1.57 3.00 -1.26 -1.47 118.16 114.15 3i8f n LYS 74 Ca -0.02 0.64 0.37 0.00 -0.00 0.00 0.00 58.31 59.30 3i8f n LYS 74 Cb 0.34 -1.40 0.69 0.00 0.00 0.00 0.00 35.03 34.66 3i8f n LYS 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3i8f h LEU 75 N 0.00 0.16 -0.69 3.14 7.12 -1.94 0.62 115.31 123.72 3i8f h LEU 75 Ca 0.00 0.06 -0.10 0.00 0.13 0.00 0.00 57.88 57.97 3i8f h LEU 75 Cb 0.00 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 3i8f h LEU 75 CO 0.00 -0.04 -0.05 1.62 -0.13 0.00 0.00 178.44 179.84 3i8f h VAL 76 N 0.10 1.26 0.86 1.05 3.04 0.89 -1.76 116.25 121.69 3i8f h VAL 76 Ca 0.72 -1.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.19 3i8f h VAL 76 Cb 2.51 0.90 0.01 0.00 -2.01 0.00 0.00 31.29 32.70 3i8f h VAL 76 CO -0.18 0.42 -0.41 0.03 -1.01 0.00 0.00 177.57 176.41 3i8f h ARG 77 N 0.87 -1.11 -1.00 4.17 3.08 0.14 0.23 114.38 120.77 3i8f h ARG 77 Ca 0.15 0.08 0.40 0.00 0.07 0.00 0.00 59.98 60.67 3i8f h ARG 77 Cb 0.59 0.25 -0.18 0.00 0.08 0.00 0.00 29.97 30.71 3i8f h ARG 77 CO 0.04 -0.73 0.51 -0.22 -1.07 0.00 0.00 179.97 178.49 3i8f h LYS 78 N -1.23 0.04 0.30 0.04 3.64 -1.37 1.33 116.57 119.31 3i8f h LYS 78 Ca -0.12 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3i8f h LYS 78 Cb 0.89 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3i8f h LYS 78 CO 0.19 0.03 -0.14 1.25 -2.27 0.00 0.00 179.45 178.51 3i8f h LEU 79 N 0.04 -0.34 0.00 5.20 6.46 -0.54 -1.42 115.31 124.71 3i8f h LEU 79 Ca 0.82 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 58.41 3i8f h LEU 79 Cb 2.10 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 42.12 3i8f h LEU 79 CO -0.76 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 177.56 3i8f n PHE 80 N -5.13 0.00 -2.11 1.25 0.99 0.41 -0.13 117.46 112.73 3i8f n PHE 80 Ca -0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.95 3i8f n PHE 80 Cb 0.26 -0.42 -0.00 0.00 -1.00 0.00 0.00 39.48 38.31 3i8f n PHE 80 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3i8f n ASP 81 N -1.77 7.47 0.00 4.37 5.68 0.14 -3.51 116.55 128.92 3i8f n ASP 81 Ca 0.00 -3.18 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 3i8f n ASP 81 Cb 0.00 -1.37 0.00 0.00 -1.14 0.00 0.00 41.12 38.61 3i8f n ASP 81 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3i8f n GLU 82 N 1.97 0.00 -0.11 0.11 2.13 -1.18 -4.77 120.64 118.80 3i8f n GLU 82 Ca 0.57 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 58.20 3i8f n GLU 82 Cb 0.27 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.89 3i8f n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i8f n ILE 83 N 0.00 1.18 -0.16 6.31 5.41 -0.54 -4.39 119.36 127.16 3i8f n ILE 83 Ca 0.00 -0.37 -0.02 0.00 1.00 0.00 0.00 62.75 63.36 3i8f n ILE 83 Cb 0.00 -1.52 0.07 0.00 -0.71 0.00 0.00 39.64 37.48 3i8f n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8f h ALA 84 N -0.41 0.53 -0.65 -1.39 0.00 -0.57 -1.29 119.26 115.48 3i8f h ALA 84 Ca -0.50 0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.64 3i8f h ALA 84 Cb 1.59 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 3i8f h ALA 84 CO -0.21 -0.34 0.43 -1.35 0.00 0.00 0.00 179.25 177.78 3i8f h PRO 85 N 0.19 0.43 0.00 0.00 0.11 -1.81 0.60 132.00 131.52 3i8f h PRO 85 Ca 0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3i8f h PRO 85 Cb 0.36 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3i8f h PRO 85 CO -0.37 0.29 0.00 0.54 -0.21 0.00 0.00 178.00 178.25 3i8f n ARG 86 N -4.47 0.51 0.00 1.05 1.74 -0.49 -2.32 116.66 112.68 3i8f n ARG 86 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3i8f n ARG 86 Cb 0.39 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 3i8f n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3i8f n TYR 87 N -0.55 0.00 -0.29 -1.55 4.01 0.15 -4.90 117.16 114.03 3i8f n TYR 87 Ca 0.01 0.00 0.24 0.00 -0.16 0.00 0.00 57.90 57.99 3i8f n TYR 87 Cb 0.01 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 39.44 3i8f n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3i8f n ARG 88 N 0.00 -0.02 -0.00 -0.72 0.00 -0.86 0.14 116.66 115.20 3i8f n ARG 88 Ca 0.00 0.74 0.08 0.00 -0.00 0.00 0.00 57.85 58.67 3i8f n ARG 88 Cb 0.08 -1.46 -0.12 0.00 0.00 0.00 0.00 32.46 30.96 3i8f n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i8f n ASP 89 N -3.82 0.88 -4.60 6.15 8.00 -1.26 -4.89 116.55 117.01 3i8f n ASP 89 Ca 0.24 -0.46 -0.43 0.00 0.71 0.00 0.00 54.79 54.86 3i8f n ASP 89 Cb 0.94 1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 43.41 3i8f n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i8f s ARG 90 N -2.92 3.77 -0.80 -1.24 3.52 0.37 -4.98 118.95 116.67 3i8f s ARG 90 Ca 0.00 0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 55.96 3i8f s ARG 90 Cb 0.12 -3.84 0.21 0.00 -1.56 0.00 0.00 34.95 29.88 3i8f s ARG 90 CO 0.72 -1.05 0.75 -1.14 -0.81 0.00 0.00 175.30 173.77 3i8f s GLN 91 N 3.64 3.54 0.00 5.12 0.74 -1.26 -4.92 119.66 126.51 3i8f s GLN 91 Ca 0.39 -2.37 0.00 0.00 0.05 0.00 0.00 55.36 53.43 3i8f s GLN 91 Cb -0.11 -4.42 0.00 0.00 1.10 0.00 0.00 33.01 29.58 3i8f s GLN 91 CO 0.21 -1.30 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 3i8f n GLY 92 N 4.14 0.65 2.15 2.59 0.00 -1.26 -5.08 105.19 108.38 3i8f n GLY 92 Ca 0.11 -1.50 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 3i8f n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 93 N 0.00 -0.31 0.69 -0.02 0.00 -1.26 -4.77 105.19 99.52 3i8f n GLY 93 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3i8f n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8f n TYR 94 N 4.35 0.17 -3.76 1.61 4.02 -1.26 -4.83 117.16 117.45 3i8f n TYR 94 Ca 0.41 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.90 58.09 3i8f n TYR 94 Cb 0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.28 3i8f n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3i8f s THR 95 N -1.83 0.00 0.08 -0.72 -1.32 -1.26 -2.41 115.64 108.18 3i8f s THR 95 Ca 0.34 -0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.91 3i8f s THR 95 Cb 0.20 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 3i8f s THR 95 CO 0.30 -0.00 -0.23 -0.60 -2.21 0.00 0.00 174.62 171.88 3i8f s ARG 96 N 0.17 1.77 -0.14 7.08 3.52 0.24 -4.84 118.95 126.75 3i8f s ARG 96 Ca -0.00 -1.15 0.00 0.00 -0.13 0.00 0.00 55.73 54.45 3i8f s ARG 96 Cb -0.02 -2.04 0.03 0.00 -1.56 0.00 0.00 34.95 31.35 3i8f s ARG 96 CO 0.00 0.50 -0.11 0.08 -0.81 0.00 0.00 175.30 174.96 3i8f s VAL 97 N -0.97 1.37 -0.02 7.11 1.01 -1.26 -0.42 120.40 127.22 3i8f s VAL 97 Ca 0.14 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3i8f s VAL 97 Cb -0.10 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3i8f s VAL 97 CO 0.06 0.38 -0.19 -0.76 0.00 0.00 0.00 175.10 174.59 3i8f s LEU 98 N 1.56 2.46 -0.19 3.92 1.43 0.25 -4.89 118.68 123.22 3i8f s LEU 98 Ca 0.04 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3i8f s LEU 98 Cb -0.13 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 3i8f s LEU 98 CO -0.10 0.32 1.13 -0.54 0.23 0.00 0.00 176.35 177.39 3i8f s LYS 99 N -0.82 4.26 -0.20 1.70 -0.14 -1.26 0.11 119.74 123.39 3i8f s LYS 99 Ca 0.11 1.49 -0.24 0.00 -1.36 0.00 0.00 55.97 55.97 3i8f s LYS 99 Cb -0.10 -3.68 -0.01 0.00 -1.68 0.00 0.00 37.83 32.36 3i8f s LYS 99 CO 0.01 -0.63 0.81 -0.51 -0.76 0.00 0.00 175.35 174.27 3i8f s LEU 100 N 3.19 4.13 -1.12 3.17 1.43 0.17 -4.94 118.68 124.73 3i8f s LEU 100 Ca 0.49 1.08 -0.22 0.00 -1.03 0.00 0.00 54.13 54.45 3i8f s LEU 100 Cb -0.18 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3i8f s LEU 100 CO 0.11 -0.43 1.71 0.00 0.23 0.00 0.00 176.35 177.97 3i8f s ALA 101 N 2.40 2.55 0.00 4.21 0.00 -1.26 -4.20 121.76 125.46 3i8f s ALA 101 Ca 0.36 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 50.00 3i8f s ALA 101 Cb -0.16 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.36 3i8f s ALA 101 CO 0.10 -4.02 0.00 -0.85 0.00 0.00 0.00 175.76 170.99 3i8f n GLU 102 N 8.62 0.00 -0.04 0.00 0.28 -1.26 -5.13 120.64 123.12 3i8f n GLU 102 Ca 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.41 3i8f n GLU 102 Cb 0.48 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.36 3i8f n GLU 102 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i8f n ARG 103 N 0.00 -0.72 -4.11 3.44 5.12 -1.26 -4.24 116.66 114.89 3i8f n ARG 103 Ca 0.00 -0.05 -0.35 0.00 -1.93 0.00 0.00 57.85 55.52 3i8f n ARG 103 Cb 0.00 -0.04 -0.13 0.00 -1.16 0.00 0.00 32.46 31.13 3i8f n ARG 103 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i8f s ARG 104 N -3.07 3.53 -1.10 5.56 3.52 -1.25 -4.91 118.95 121.23 3i8f s ARG 104 Ca 0.02 -0.57 -0.23 0.00 -0.13 0.00 0.00 55.73 54.82 3i8f s ARG 104 Cb -0.00 -3.01 -0.07 0.00 -1.56 0.00 0.00 34.95 30.31 3i8f s ARG 104 CO 0.01 -0.02 1.92 0.50 -0.81 0.00 0.00 175.30 176.91 3i8f s ARG 105 N 1.05 2.58 0.00 5.12 3.00 -1.26 -1.22 118.95 128.22 3i8f s ARG 105 Ca 0.01 -0.93 0.00 0.00 -1.00 0.00 0.00 55.73 53.81 3i8f s ARG 105 Cb -0.15 -5.20 0.00 0.00 0.00 0.00 0.00 34.95 29.60 3i8f s ARG 105 CO 0.01 -3.71 0.00 0.41 0.00 0.00 0.00 175.30 172.01 3i8f n GLY 106 N 6.13 0.13 0.00 8.12 0.00 -1.26 -4.95 105.19 113.36 3i8f n GLY 106 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3i8f n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8f n ASP 107 N 0.00 0.00 -2.52 1.61 3.85 -1.04 -5.04 116.55 113.41 3i8f n ASP 107 Ca 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 54.79 53.93 3i8f n ASP 107 Cb 0.00 0.00 0.05 0.00 -1.35 0.00 0.00 41.12 39.82 3i8f n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i8f n GLY 108 N 0.00 -0.03 3.56 6.12 0.00 -0.35 -4.95 105.19 109.54 3i8f n GLY 108 Ca 0.00 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3i8f n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8f s ALA 109 N -3.21 3.35 0.23 4.61 0.00 -1.26 -4.71 121.76 120.77 3i8f s ALA 109 Ca 0.35 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 51.14 3i8f s ALA 109 Cb -0.15 -3.41 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3i8f s ALA 109 CO 0.47 -1.71 1.20 -0.35 0.00 0.00 0.00 175.76 175.37 3i8f n PRO 110 N 6.55 1.53 -4.10 0.00 -0.04 -1.26 -3.93 135.00 133.75 3i8f n PRO 110 Ca 0.02 0.54 -0.29 0.00 -0.04 0.00 0.00 63.50 63.73 3i8f n PRO 110 Cb 0.48 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 3i8f n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i8f s LEU 111 N 0.34 3.65 0.22 1.53 1.43 -1.26 -2.61 118.68 121.97 3i8f s LEU 111 Ca 0.67 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3i8f s LEU 111 Cb -0.74 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 3i8f s LEU 111 CO 0.54 0.14 -0.08 0.00 0.23 0.00 0.00 176.35 177.18 3i8f s ALA 112 N -1.49 1.93 -0.18 4.21 0.00 -0.77 0.46 121.76 125.92 3i8f s ALA 112 Ca 0.28 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.55 3i8f s ALA 112 Cb -0.11 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3i8f s ALA 112 CO 0.21 -0.07 -0.19 -1.17 0.00 0.00 0.00 175.76 174.54 3i8f s LEU 113 N -3.31 2.09 -0.21 0.00 2.96 0.31 -2.64 118.68 117.88 3i8f s LEU 113 Ca 0.24 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3i8f s LEU 113 Cb 0.02 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 3i8f s LEU 113 CO 0.07 -0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.38 3i8f s VAL 114 N 1.31 3.69 0.08 1.68 1.01 0.13 0.84 120.40 129.14 3i8f s VAL 114 Ca 0.05 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3i8f s VAL 114 Cb -0.13 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3i8f s VAL 114 CO -0.13 0.43 -0.12 -1.61 0.00 0.00 0.00 175.10 173.67 3i8f s GLU 115 N 1.17 0.79 -0.57 2.72 2.02 0.44 0.56 118.70 125.83 3i8f s GLU 115 Ca 0.03 -1.00 -0.28 0.00 0.02 0.00 0.00 54.97 53.74 3i8f s GLU 115 Cb -0.14 -0.65 0.03 0.00 0.10 0.00 0.00 34.13 33.47 3i8f s GLU 115 CO 0.00 0.13 1.15 -0.51 0.02 0.00 0.00 175.26 176.05 3i8f s LEU 116 N -1.97 3.56 -0.16 1.80 1.43 -0.20 -0.59 118.68 122.55 3i8f s LEU 116 Ca -0.01 0.05 -0.42 0.00 -1.03 0.00 0.00 54.13 52.73 3i8f s LEU 116 Cb -0.08 -3.13 -0.19 0.00 0.03 0.00 0.00 46.19 42.82 3i8f s LEU 116 CO 0.01 -1.43 1.29 0.55 0.23 0.00 0.00 176.35 177.00 3i8f n VAL 117 N 6.60 0.02 0.00 -1.59 3.14 -1.01 -4.93 118.33 120.55 3i8f n VAL 117 Ca 0.08 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3i8f n VAL 117 Cb 0.49 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 3i8f n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58