#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n LYS 3 N 0.00 0.37 -2.13 0.54 5.02 -1.26 -4.83 118.16 115.87 3i8i n LYS 3 Ca 0.00 0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 3i8i n LYS 3 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 3i8i n LYS 3 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3i8i s MET 4 N -0.09 3.58 0.04 1.97 -2.45 -1.26 -5.01 119.30 116.07 3i8i s MET 4 Ca 0.84 1.90 -0.06 0.00 -1.25 0.00 0.00 55.69 57.11 3i8i s MET 4 Cb -1.11 -2.36 -0.05 0.00 1.25 0.00 0.00 34.83 32.56 3i8i s MET 4 CO 0.54 -0.73 0.30 0.15 1.05 0.00 0.00 175.02 176.32 3i8i s LYS 5 N -2.77 3.60 0.00 4.11 1.02 -1.26 -4.97 119.74 119.47 3i8i s LYS 5 Ca 0.66 -0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.58 3i8i s LYS 5 Cb -0.32 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3i8i s LYS 5 CO 0.38 0.61 0.45 0.25 -0.92 0.00 0.00 175.35 176.12 3i8i n THR 6 N 0.89 0.00 0.00 2.17 -2.24 -1.26 -4.90 114.28 108.93 3i8i n THR 6 Ca -0.09 0.95 0.00 0.00 -2.27 0.00 0.00 64.05 62.63 3i8i n THR 6 Cb 0.52 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 3i8i n THR 6 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3i8i n HIS 7 N -0.49 0.00 0.29 4.78 -0.00 -1.26 -4.21 115.22 114.32 3i8i n HIS 7 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 3i8i n HIS 7 Cb 0.00 0.00 0.86 0.00 -0.12 0.00 0.00 29.99 30.73 3i8i n HIS 7 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3i8i h LYS 8 N 0.00 0.00 0.00 1.57 1.79 -1.96 -0.79 116.57 117.18 3i8i h LYS 8 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3i8i h LYS 8 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3i8i h LYS 8 CO 0.00 0.04 -0.16 0.78 -1.08 0.00 0.00 179.45 179.03 3i8i h GLY 9 N 0.32 0.00 0.61 3.86 0.00 -1.99 -0.29 103.07 105.59 3i8i h GLY 9 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 3i8i h GLY 9 CO 0.01 0.00 -1.36 0.00 0.00 0.00 0.00 176.54 175.19 3i8i h ALA 10 N 1.84 0.13 0.00 3.60 0.00 -1.54 -3.31 119.26 119.99 3i8i h ALA 10 Ca -0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 54.91 53.82 3i8i h ALA 10 Cb 0.31 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3i8i h ALA 10 CO 0.02 0.78 -0.24 -0.22 0.00 0.00 0.00 179.25 179.58 3i8i h LYS 11 N -0.28 0.00 0.00 0.00 3.64 -1.33 -0.91 116.57 117.70 3i8i h LYS 11 Ca -0.28 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 3i8i h LYS 11 Cb 1.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3i8i h LYS 11 CO 0.08 0.24 -0.12 0.87 -2.27 0.00 0.00 179.45 178.26 3i8i h LYS 12 N 0.00 0.00 0.00 1.90 1.57 -1.17 -3.34 116.57 115.52 3i8i h LYS 12 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i8i h LYS 12 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3i8i h LYS 12 CO 0.03 0.12 0.00 2.89 -0.57 0.00 0.00 179.45 181.92 3i8i n ARG 13 N -3.18 1.23 -4.26 3.15 1.85 -0.92 -5.06 116.66 109.46 3i8i n ARG 13 Ca 0.02 -0.93 -0.15 0.00 -1.00 0.00 0.00 57.85 55.79 3i8i n ARG 13 Cb 0.47 -0.84 -0.10 0.00 -1.05 0.00 0.00 32.46 30.94 3i8i n ARG 13 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3i8i s VAL 14 N -0.48 1.10 -0.04 8.89 1.01 -0.39 -4.46 120.40 126.03 3i8i s VAL 14 Ca 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 59.92 3i8i s VAL 14 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3i8i s VAL 14 CO 0.00 -0.65 0.08 -0.75 0.00 0.00 0.00 175.10 173.79 3i8i s LYS 15 N -3.78 0.01 -0.41 2.72 2.36 -0.78 -4.73 119.74 115.12 3i8i s LYS 15 Ca 0.19 0.29 -0.18 0.00 -2.55 0.00 0.00 55.97 53.73 3i8i s LYS 15 Cb 0.03 -0.24 0.02 0.00 -1.05 0.00 0.00 37.83 36.59 3i8i s LYS 15 CO 0.02 -0.19 0.47 -1.50 1.55 0.00 0.00 175.35 175.71 3i8i s ILE 16 N 1.26 5.04 1.28 5.43 2.07 -1.26 -0.96 121.20 134.07 3i8i s ILE 16 Ca -0.07 -0.17 -0.19 0.00 -1.41 0.00 0.00 60.65 58.81 3i8i s ILE 16 Cb -0.12 -4.04 0.32 0.00 0.13 0.00 0.00 42.46 38.74 3i8i s ILE 16 CO -0.04 -0.40 1.01 0.42 -1.91 0.00 0.00 174.94 174.02 3i8i s THR 17 N 2.27 1.53 0.13 4.00 -4.23 -0.04 -4.87 115.64 114.43 3i8i s THR 17 Ca 0.14 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 3i8i s THR 17 Cb -0.16 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 3i8i s THR 17 CO 0.14 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.00 3i8i h ALA 18 N -2.93 0.33 0.00 3.99 0.00 -1.97 -2.11 119.26 116.57 3i8i h ALA 18 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i8i h ALA 18 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3i8i h ALA 18 CO 0.37 -0.23 -0.03 -1.13 0.00 0.00 0.00 179.25 178.23 3i8i n SER 19 N -4.94 0.43 0.00 0.00 3.41 -1.26 -4.88 113.62 106.38 3i8i n SER 19 Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3i8i n SER 19 Cb 0.05 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3i8i n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8i n GLY 20 N 1.40 1.05 3.66 5.00 0.00 -0.79 -5.09 105.19 110.41 3i8i n GLY 20 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3i8i n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i s LYS 21 N -0.46 0.82 -0.11 1.61 1.02 -1.26 -4.70 119.74 116.67 3i8i s LYS 21 Ca 0.00 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.10 3i8i s LYS 21 Cb 0.00 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3i8i s LYS 21 CO 0.00 -2.62 -0.18 0.08 -0.92 0.00 0.00 175.35 171.72 3i8i s VAL 22 N -2.74 1.67 -0.03 3.17 1.01 -1.26 -0.86 120.40 121.36 3i8i s VAL 22 Ca 0.65 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3i8i s VAL 22 Cb -0.21 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3i8i s VAL 22 CO 0.59 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 175.33 3i8i s VAL 23 N 0.85 3.08 0.13 2.92 1.01 -0.14 -1.99 120.40 126.27 3i8i s VAL 23 Ca -0.09 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3i8i s VAL 23 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3i8i s VAL 23 CO -0.00 0.52 0.05 0.00 0.00 0.00 0.00 175.10 175.67 3i8i s ALA 24 N -0.80 0.92 0.81 5.51 0.00 -0.70 -1.87 121.76 125.64 3i8i s ALA 24 Ca 0.13 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 3i8i s ALA 24 Cb -0.11 0.83 0.08 0.00 0.00 0.00 0.00 23.12 23.92 3i8i s ALA 24 CO 0.02 -0.47 1.16 -1.64 0.00 0.00 0.00 175.76 174.84 3i8i s MET 25 N -4.03 1.95 0.18 0.00 -1.94 -1.26 -1.61 119.30 112.58 3i8i s MET 25 Ca 0.24 0.19 -0.28 0.00 -1.71 0.00 0.00 55.69 54.13 3i8i s MET 25 Cb 0.07 -1.94 -0.08 0.00 2.01 0.00 0.00 34.83 34.89 3i8i s MET 25 CO 0.02 -1.62 0.87 0.15 -0.01 0.00 0.00 175.02 174.43 3i8i s LYS 26 N -5.50 4.70 0.85 2.03 -0.14 -1.23 -4.83 119.74 115.63 3i8i s LYS 26 Ca 0.62 1.33 -0.12 0.00 -1.36 0.00 0.00 55.97 56.44 3i8i s LYS 26 Cb -0.12 -3.29 0.11 0.00 -1.68 0.00 0.00 37.83 32.84 3i8i s LYS 26 CO 0.50 0.48 1.15 0.95 -0.76 0.00 0.00 175.35 177.67 3i8i s THR 27 N -0.91 2.11 0.00 2.17 -4.23 -1.26 -4.62 115.64 108.90 3i8i s THR 27 Ca 0.40 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 3i8i s THR 27 Cb -0.24 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.70 3i8i s THR 27 CO 0.29 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 3i8i n GLY 28 N -2.70 1.44 4.65 3.99 0.00 -1.26 -4.92 105.19 106.40 3i8i n GLY 28 Ca 0.07 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3i8i n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8i n LYS 29 N 4.66 0.00 -1.68 1.61 3.00 -1.26 -4.45 118.16 120.05 3i8i n LYS 29 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 3i8i n LYS 29 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3i8i n LYS 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i8i n ARG 30 N 0.00 2.84 0.00 1.64 3.00 -1.26 -4.02 116.66 118.86 3i8i n ARG 30 Ca 0.00 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.89 3i8i n ARG 30 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 32.46 29.50 3i8i n ARG 30 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3i8i n HIS 31 N 6.61 0.00 -1.23 -0.14 -0.00 -1.26 -4.89 115.22 114.31 3i8i n HIS 31 Ca 0.19 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.30 3i8i n HIS 31 Cb 0.39 0.00 0.23 0.00 -0.12 0.00 0.00 29.99 30.49 3i8i n HIS 31 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3i8i n LEU 32 N 0.00 5.20 -0.27 0.27 4.77 -1.26 -4.75 117.00 120.96 3i8i n LEU 32 Ca 0.00 -3.49 0.09 0.00 -0.03 0.00 0.00 56.01 52.58 3i8i n LEU 32 Cb 0.00 -0.70 0.22 0.00 -2.33 0.00 0.00 43.42 40.61 3i8i n LEU 32 CO 0.00 1.01 0.89 0.78 -1.33 0.00 0.00 177.39 178.74 3i8i h ASN 33 N 1.53 -0.14 0.00 -1.43 2.35 -1.91 -3.41 115.58 112.57 3i8i h ASN 33 Ca 0.30 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 3i8i h ASN 33 Cb 2.09 0.29 0.00 0.00 0.05 0.00 0.00 38.32 40.75 3i8i h ASN 33 CO 0.62 -0.15 0.00 1.87 -1.65 0.00 0.00 177.43 178.13 3i8i n TRP 34 N -5.26 0.00 -3.76 1.19 -0.00 -1.26 -2.02 117.44 106.32 3i8i n TRP 34 Ca 0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.38 3i8i n TRP 34 Cb 0.56 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.71 3i8i n TRP 34 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3i8i s GLN 35 N 0.00 0.80 0.28 5.87 -1.52 -1.26 -5.07 119.66 118.76 3i8i s GLN 35 Ca 0.00 -0.72 0.11 0.00 -1.95 0.00 0.00 55.36 52.79 3i8i s GLN 35 Cb 0.00 -2.12 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 3i8i s GLN 35 CO 0.00 -0.76 -0.09 0.15 -0.25 0.00 0.00 175.29 174.34 3i8i s LYS 36 N 1.72 1.99 0.83 2.91 1.02 -0.86 -5.11 119.74 122.23 3i8i s LYS 36 Ca 0.02 -1.62 -0.12 0.00 0.02 0.00 0.00 55.97 54.28 3i8i s LYS 36 Cb -0.17 -1.95 0.09 0.00 -0.52 0.00 0.00 37.83 35.27 3i8i s LYS 36 CO -0.14 0.33 1.15 -1.54 -0.92 0.00 0.00 175.35 174.23 3i8i s SER 37 N -3.60 3.67 0.31 2.83 1.04 -1.26 -4.76 113.70 111.93 3i8i s SER 37 Ca 0.31 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.89 3i8i s SER 37 Cb -0.05 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 64.00 3i8i s SER 37 CO 0.18 -2.60 1.91 1.23 0.98 0.00 0.00 173.24 174.93 3i8i h GLY 38 N -1.22 0.92 1.28 7.32 0.00 -1.99 0.21 103.07 109.59 3i8i h GLY 38 Ca -0.45 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 46.50 3i8i h GLY 38 CO 0.46 0.42 0.36 1.70 0.00 0.00 0.00 176.54 179.47 3i8i h LYS 39 N 0.86 0.51 0.35 4.80 3.11 -1.97 0.16 116.57 124.38 3i8i h LYS 39 Ca 0.21 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.00 3i8i h LYS 39 Cb 0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 3i8i h LYS 39 CO -0.03 0.33 -0.17 1.49 -2.81 0.00 0.00 179.45 178.27 3i8i h GLU 40 N 0.52 -0.45 -0.61 1.90 4.57 -0.93 -2.79 114.58 116.78 3i8i h GLU 40 Ca 0.23 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.37 3i8i h GLU 40 Cb 0.24 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3i8i h GLU 40 CO -0.06 -0.30 0.11 -0.84 -1.18 0.00 0.00 179.01 176.73 3i8i h ILE 41 N -0.65 1.26 -0.60 2.32 3.07 -1.27 -3.13 117.51 118.52 3i8i h ILE 41 Ca -0.05 -0.99 0.02 0.00 1.55 0.00 0.00 64.86 65.39 3i8i h ILE 41 Cb 0.36 0.71 -0.03 0.00 -0.27 0.00 0.00 36.82 37.59 3i8i h ILE 41 CO 0.08 0.37 0.40 -0.09 -1.05 0.00 0.00 178.15 177.85 3i8i h ARG 42 N 0.92 0.71 -2.23 0.16 2.43 -0.80 -3.20 114.38 112.37 3i8i h ARG 42 Ca 0.19 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3i8i h ARG 42 Cb 0.42 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3i8i h ARG 42 CO 0.01 0.47 -0.06 0.94 -1.51 0.00 0.00 179.97 179.82 3i8i n GLN 43 N -4.46 1.13 -3.50 0.20 7.27 -1.05 -4.58 117.38 112.38 3i8i n GLN 43 Ca 0.07 -0.46 -0.27 0.00 0.07 0.00 0.00 57.00 56.41 3i8i n GLN 43 Cb 0.11 -1.63 -0.09 0.00 2.41 0.00 0.00 30.24 31.04 3i8i n GLN 43 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3i8i n LYS 44 N 2.36 1.91 0.00 3.69 4.01 -1.21 -4.98 118.16 123.95 3i8i n LYS 44 Ca 0.20 -4.30 0.00 0.00 -0.51 0.00 0.00 58.31 53.70 3i8i n LYS 44 Cb 0.53 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 3i8i n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i8i n GLY 45 N 1.35 1.84 0.00 0.72 0.00 -1.26 -4.83 105.19 103.01 3i8i n GLY 45 Ca 0.26 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3i8i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 46 N 0.00 1.09 -3.63 1.61 1.74 -1.26 -3.49 116.66 112.71 3i8i n ARG 46 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3i8i n ARG 46 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3i8i n ARG 46 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3i8i s LYS 47 N -0.44 0.15 0.28 5.56 -2.85 -0.64 -4.79 119.74 117.01 3i8i s LYS 47 Ca 0.00 0.04 -0.12 0.00 -1.00 0.00 0.00 55.97 54.90 3i8i s LYS 47 Cb 0.00 0.07 -0.08 0.00 -2.06 0.00 0.00 37.83 35.76 3i8i s LYS 47 CO 0.00 -0.05 0.64 -0.59 0.10 0.00 0.00 175.35 175.45 3i8i s PHE 48 N -0.97 3.41 0.00 1.78 -0.71 -1.26 -1.71 117.98 118.51 3i8i s PHE 48 Ca 0.07 1.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.97 3i8i s PHE 48 Cb -0.01 -2.38 0.00 0.00 -1.21 0.00 0.00 43.02 39.42 3i8i s PHE 48 CO -0.07 0.17 0.00 0.28 -1.34 0.00 0.00 175.22 174.27 3i8i n VAL 49 N -0.32 0.00 -3.15 -2.49 0.31 -0.84 -4.94 118.33 106.89 3i8i n VAL 49 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.40 3i8i n VAL 49 Cb 0.53 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3i8i n VAL 49 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3i8i s LEU 50 N 0.00 -0.63 -1.62 7.52 2.96 -1.26 -4.97 118.68 120.68 3i8i s LEU 50 Ca 0.00 0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3i8i s LEU 50 Cb 0.00 1.43 0.05 0.00 0.50 0.00 0.00 46.19 48.17 3i8i s LEU 50 CO 0.00 -0.12 0.13 0.00 -1.32 0.00 0.00 176.35 175.04 3i8i n ALA 51 N 5.24 -1.84 -0.38 5.97 0.00 -1.26 -4.52 120.51 123.72 3i8i n ALA 51 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3i8i n ALA 51 Cb 0.56 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3i8i n ALA 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 52 N -4.48 0.18 0.07 0.00 3.00 -1.26 -4.78 118.16 110.90 3i8i n LYS 52 Ca -0.24 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3i8i n LYS 52 Cb 0.65 -0.02 0.02 0.00 0.00 0.00 0.00 35.03 35.69 3i8i n LYS 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3i8i n PRO 53 N 0.00 0.49 -0.29 1.64 -0.04 -1.26 -3.23 135.00 132.31 3i8i n PRO 53 Ca 0.00 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 3i8i n PRO 53 Cb 0.00 -1.74 0.23 0.00 -0.04 0.00 0.00 33.50 31.96 3i8i n PRO 53 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i8i h GLU 54 N 0.00 0.53 -0.11 0.54 5.08 -1.92 1.25 114.58 119.94 3i8i h GLU 54 Ca 0.00 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3i8i h GLU 54 Cb 0.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3i8i h GLU 54 CO 0.00 0.35 -0.04 0.00 -1.00 0.00 0.00 179.01 178.31 3i8i h ALA 55 N 1.59 0.06 0.68 3.43 0.00 -1.90 -2.15 119.26 120.96 3i8i h ALA 55 Ca 0.47 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 3i8i h ALA 55 Cb 0.74 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i8i h ALA 55 CO -0.41 -0.50 -0.44 0.93 0.00 0.00 0.00 179.25 178.84 3i8i h GLU 56 N -0.03 -1.02 -0.99 0.00 3.07 0.96 -1.79 114.58 114.79 3i8i h GLU 56 Ca 0.06 0.07 0.37 0.00 -0.50 0.00 0.00 59.36 59.36 3i8i h GLU 56 Cb 0.12 0.23 -0.18 0.00 -0.84 0.00 0.00 28.75 28.08 3i8i h GLU 56 CO -0.13 -0.68 0.38 0.54 -1.40 0.00 0.00 179.01 177.72 3i8i n ARG 57 N -5.57 -0.06 0.27 2.33 1.74 0.33 0.32 116.66 116.02 3i8i n ARG 57 Ca -0.14 1.39 0.16 0.00 -0.77 0.00 0.00 57.85 58.50 3i8i n ARG 57 Cb 0.45 -2.41 0.75 0.00 -1.02 0.00 0.00 32.46 30.23 3i8i n ARG 57 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3i8i h ILE 58 N 0.00 0.25 0.00 0.55 2.04 -0.65 -2.36 117.51 117.35 3i8i h ILE 58 Ca 0.77 -0.54 -0.23 0.00 1.00 0.00 0.00 64.86 65.87 3i8i h ILE 58 Cb 1.93 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 3i8i h ILE 58 CO -0.81 0.07 -1.34 0.11 0.00 0.00 0.00 178.15 176.18 3i8i h LYS 59 N 0.00 0.00 -0.37 2.37 1.57 0.54 -3.24 116.57 117.44 3i8i h LYS 59 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i8i h LYS 59 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3i8i h LYS 59 CO 0.01 0.57 0.00 1.28 -0.57 0.00 0.00 179.45 180.74 3i8i n LEU 60 N -3.11 1.52 -4.77 2.94 4.77 -0.55 -4.33 117.00 113.48 3i8i n LEU 60 Ca -0.09 -0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 54.72 3i8i n LEU 60 Cb 0.95 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 3i8i n LEU 60 CO 0.45 0.32 1.16 -0.76 -1.33 0.00 0.00 177.39 177.23 3i8i s LEU 61 N -0.97 4.34 0.00 2.23 1.43 -1.03 -2.29 118.68 122.39 3i8i s LEU 61 Ca 0.16 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 3i8i s LEU 61 Cb 0.09 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3i8i s LEU 61 CO 0.09 -0.86 0.00 0.18 0.23 0.00 0.00 176.35 175.99 3i8i n LEU 62 N 1.14 0.00 0.00 1.79 4.77 -1.26 -4.58 117.00 118.85 3i8i n LEU 62 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3i8i n LEU 62 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i8i n LEU 62 CO 0.63 0.00 0.16 -2.65 -1.33 0.00 0.00 177.39 174.21 3i8i n PRO 63 N 0.00 0.00 0.00 3.23 -0.02 -0.97 -4.86 135.00 132.38 3i8i n PRO 63 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3i8i n PRO 63 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 3i8i n PRO 63 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i8i n TYR 64 N -0.84 0.00 -1.48 6.00 0.53 -1.25 -5.22 117.16 114.90 3i8i n TYR 64 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3i8i n TYR 64 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3i8i n TYR 64 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99