#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i35 s ILE 2 N 0.00 5.02 0.32 0.00 1.01 -1.26 0.13 121.20 126.42 1i35 s ILE 2 Ca 0.00 1.29 0.09 0.00 0.00 0.00 0.00 60.65 62.03 1i35 s ILE 2 Cb 0.00 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1i35 s ILE 2 CO 0.00 0.15 -0.10 -0.76 0.00 0.00 0.00 174.94 174.23 1i35 s LEU 3 N 1.54 2.65 -0.22 2.97 1.02 -0.28 -4.91 118.68 121.44 1i35 s LEU 3 Ca 0.32 -1.17 -0.05 0.00 0.02 0.00 0.00 54.13 53.25 1i35 s LEU 3 Cb -0.16 -0.91 -0.02 0.00 0.02 0.00 0.00 46.19 45.12 1i35 s LEU 3 CO 0.13 -0.21 -0.01 -0.60 0.02 0.00 0.00 176.35 175.68 1i35 s ARG 4 N -3.63 3.50 -0.14 1.70 6.06 -1.26 -1.06 118.95 124.13 1i35 s ARG 4 Ca 0.31 -0.57 -0.04 0.00 -2.50 0.00 0.00 55.73 52.93 1i35 s ARG 4 Cb 0.02 -3.09 -0.03 0.00 0.06 0.00 0.00 34.95 31.90 1i35 s ARG 4 CO 0.15 -0.13 0.02 -0.06 -2.50 0.00 0.00 175.30 172.77 1i35 s PHE 5 N 1.36 3.17 -0.13 5.12 0.08 0.89 -2.25 117.98 126.22 1i35 s PHE 5 Ca 0.04 0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.15 1i35 s PHE 5 Cb -0.15 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1i35 s PHE 5 CO -0.00 0.24 -0.21 0.42 -0.10 0.00 0.00 175.22 175.57 1i35 s ILE 6 N -0.14 1.99 0.07 0.64 1.09 0.35 -1.45 121.20 123.76 1i35 s ILE 6 Ca 0.05 -0.94 -0.02 0.00 -1.10 0.00 0.00 60.65 58.64 1i35 s ILE 6 Cb -0.12 -1.76 -0.03 0.00 -1.06 0.00 0.00 42.46 39.48 1i35 s ILE 6 CO 0.02 0.54 0.03 0.00 -0.10 0.00 0.00 174.94 175.42 1i35 s ALA 7 N 0.82 0.44 0.00 9.38 0.00 0.13 0.17 121.76 132.69 1i35 s ALA 7 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1i35 s ALA 7 Cb -0.16 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1i35 s ALA 7 CO -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 175.76 175.32 1i35 h ASN 9 N 0.00 0.00 -1.22 0.00 -0.26 -1.94 -2.31 115.58 109.85 1i35 h ASN 9 Ca 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 55.35 1i35 h ASN 9 Cb 0.00 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 36.87 1i35 h ASN 9 CO 0.00 0.39 -1.15 0.61 -1.06 0.00 0.00 177.43 176.21 1i35 n GLY 10 N 1.71 2.08 3.72 2.83 0.00 -1.25 -3.60 105.19 110.68 1i35 n GLY 10 Ca -0.03 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 1i35 n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i35 s GLN 11 N -2.73 4.40 -0.09 1.61 -1.52 0.14 -4.88 119.66 116.59 1i35 s GLN 11 Ca 0.30 0.77 0.03 0.00 -1.95 0.00 0.00 55.36 54.52 1i35 s GLN 11 Cb 0.42 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 1i35 s GLN 11 CO -0.00 0.13 -0.21 0.95 -0.25 0.00 0.00 175.29 175.91 1i35 s THR 12 N 0.62 1.83 0.01 -0.19 -4.23 -1.26 0.19 115.64 112.61 1i35 s THR 12 Ca 0.34 -0.88 -0.09 0.00 -1.18 0.00 0.00 61.69 59.88 1i35 s THR 12 Cb -0.17 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1i35 s THR 12 CO 0.16 0.51 0.17 -0.13 -0.54 0.00 0.00 174.62 174.79 1i35 s ARG 13 N 0.45 0.57 -0.15 3.99 0.52 -0.53 -5.03 118.95 118.77 1i35 s ARG 13 Ca -0.17 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1i35 s ARG 13 Cb -0.17 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.56 1i35 s ARG 13 CO 0.07 -0.15 -0.15 0.00 0.02 0.00 0.00 175.30 175.09 1i35 s ALA 14 N -1.83 1.93 -0.01 2.13 0.00 -1.26 -0.08 121.76 122.64 1i35 s ALA 14 Ca -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1i35 s ALA 14 Cb -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1i35 s ALA 14 CO -0.00 -0.38 -0.10 0.14 0.00 0.00 0.00 175.76 175.42 1i35 s VAL 15 N 1.46 3.39 -0.90 0.00 -7.23 -0.22 -4.88 120.40 112.02 1i35 s VAL 15 Ca 0.05 -0.81 -0.24 0.00 -1.81 0.00 0.00 61.98 59.16 1i35 s VAL 15 Cb -0.13 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1i35 s VAL 15 CO -0.11 0.44 1.60 0.00 -0.31 0.00 0.00 175.10 176.72 1i35 s GLN 16 N -1.24 3.14 -0.73 4.82 -2.07 -1.26 -1.13 119.66 121.19 1i35 s GLN 16 Ca 0.15 -0.57 -0.27 0.00 -1.82 0.00 0.00 55.36 52.85 1i35 s GLN 16 Cb -0.11 -4.99 0.03 0.00 -1.09 0.00 0.00 33.01 26.85 1i35 s GLN 16 CO 0.05 -2.58 1.33 -1.54 -1.32 0.00 0.00 175.29 171.23 1i35 s SER 17 N 5.94 6.08 -0.13 12.60 1.04 0.36 -4.87 113.70 134.73 1i35 s SER 17 Ca 0.53 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.56 1i35 s SER 17 Cb -0.04 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1i35 s SER 17 CO -0.00 -1.88 -0.03 -0.60 0.98 0.00 0.00 173.24 171.70 1i35 s ARG 18 N 5.85 3.41 0.00 4.02 6.06 -1.26 -0.88 118.95 136.15 1i35 s ARG 18 Ca 0.38 -0.50 0.00 0.00 -2.50 0.00 0.00 55.73 53.11 1i35 s ARG 18 Cb -0.08 -2.85 0.00 0.00 0.06 0.00 0.00 34.95 32.07 1i35 s ARG 18 CO 0.16 0.40 0.00 0.41 -2.50 0.00 0.00 175.30 173.76 1i35 n GLY 19 N 3.07 1.99 0.00 8.12 0.00 -1.26 -4.92 105.19 112.19 1i35 n GLY 19 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1i35 n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i35 n ASP 20 N 4.09 0.00 0.07 1.61 5.68 -1.26 -5.07 116.55 121.67 1i35 n ASP 20 Ca 0.00 -0.76 -0.17 0.00 -0.50 0.00 0.00 54.79 53.36 1i35 n ASP 20 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1i35 n ASP 20 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1i35 h TYR 21 N 0.76 0.46 -0.94 2.11 5.03 -1.92 -3.36 116.97 119.12 1i35 h TYR 21 Ca 0.00 -0.34 0.10 0.00 2.58 0.00 0.00 58.73 61.08 1i35 h TYR 21 Cb 0.00 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.19 1i35 h TYR 21 CO 0.00 1.36 0.60 -0.56 -1.32 0.00 0.00 178.16 178.24 1i35 h GLN 22 N 0.07 0.91 -0.03 1.82 -0.00 -1.98 0.59 115.11 116.50 1i35 h GLN 22 Ca -0.22 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.37 1i35 h GLN 22 Cb 2.01 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 29.28 1i35 h GLN 22 CO 0.17 0.60 -0.01 0.87 -0.00 0.00 0.00 178.83 180.46 1i35 h LYS 23 N 0.94 0.05 -0.27 0.06 1.57 -1.92 0.62 116.57 117.62 1i35 h LYS 23 Ca 0.44 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1i35 h LYS 23 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1i35 h LYS 23 CO -0.20 0.43 0.08 0.00 -0.57 0.00 0.00 179.45 179.18 1i35 h THR 24 N -0.33 1.21 0.33 -0.16 1.03 -1.59 0.62 112.91 114.02 1i35 h THR 24 Ca 0.01 -0.67 -0.02 0.00 -0.01 0.00 0.00 66.41 65.72 1i35 h THR 24 Cb 0.41 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.63 1i35 h THR 24 CO 0.00 0.22 -0.16 0.25 -0.01 0.00 0.00 175.52 175.82 1i35 h LEU 25 N 0.28 -0.38 0.18 0.00 7.12 0.16 0.48 115.31 123.15 1i35 h LEU 25 Ca 0.09 -0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1i35 h LEU 25 Cb 0.26 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1i35 h LEU 25 CO -0.00 -0.17 -0.09 0.00 -0.13 0.00 0.00 178.44 178.05 1i35 h ALA 26 N 0.07 -0.24 -0.12 1.25 0.00 0.37 -2.67 119.26 117.92 1i35 h ALA 26 Ca -0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1i35 h ALA 26 Cb 0.41 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1i35 h ALA 26 CO 0.07 -0.63 -0.45 0.82 0.00 0.00 0.00 179.25 179.06 1i35 h ILE 27 N -0.24 1.36 -0.28 0.00 5.03 0.23 -2.73 117.51 120.89 1i35 h ILE 27 Ca -0.02 -1.75 0.06 0.00 -0.12 0.00 0.00 64.86 63.02 1i35 h ILE 27 Cb 0.18 2.12 -0.06 0.00 -3.03 0.00 0.00 36.82 36.03 1i35 h ILE 27 CO 0.04 0.53 -0.09 0.00 -0.68 0.00 0.00 178.15 177.95 1i35 h ALA 28 N 0.50 0.16 -0.41 1.87 0.00 -0.06 -1.29 119.26 120.03 1i35 h ALA 28 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1i35 h ALA 28 Cb 1.08 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1i35 h ALA 28 CO 0.09 -0.48 0.08 -0.07 0.00 0.00 0.00 179.25 178.87 1i35 h LEU 29 N -0.03 0.57 -0.33 0.00 4.07 -1.57 0.75 115.31 118.78 1i35 h LEU 29 Ca 0.14 -0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1i35 h LEU 29 Cb 0.23 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1i35 h LEU 29 CO -0.30 0.58 0.17 0.07 -1.08 0.00 0.00 178.44 177.88 1i35 h LYS 30 N 0.60 0.34 0.00 1.13 2.10 -0.94 -1.32 116.57 118.48 1i35 h LYS 30 Ca 0.13 -0.02 -0.17 0.00 -2.00 0.00 0.00 60.65 58.59 1i35 h LYS 30 Cb 0.26 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 1i35 h LYS 30 CO -0.00 0.23 -0.83 -0.22 -2.00 0.00 0.00 179.45 176.63 1i35 h LYS 31 N 0.35 0.00 0.11 0.07 1.63 -1.10 -3.35 116.57 114.28 1i35 h LYS 31 Ca 0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1i35 h LYS 31 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1i35 h LYS 31 CO -0.09 0.83 -0.05 0.35 -3.45 0.00 0.00 179.45 177.04 1i35 h PHE 32 N 0.00 -0.13 0.00 1.91 3.04 0.17 -3.46 116.94 118.47 1i35 h PHE 32 Ca -0.01 -0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.73 1i35 h PHE 32 Cb 1.52 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 40.05 1i35 h PHE 32 CO 0.00 -0.08 -1.72 0.45 -2.02 0.00 0.00 178.31 174.94 1i35 n SER 33 N -3.19 1.14 0.00 0.41 2.88 -0.89 -5.04 113.62 108.94 1i35 n SER 33 Ca -0.02 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1i35 n SER 33 Cb 0.06 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i35 n LEU 34 N -3.50 0.00 -3.89 2.46 4.32 -0.92 -5.06 117.00 110.42 1i35 n LEU 34 Ca -0.25 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.64 1i35 n LEU 34 Cb 0.68 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.40 1i35 n LEU 34 CO 0.03 0.00 -0.15 -1.61 -1.22 0.00 0.00 177.39 174.44 1i35 s GLU 35 N 3.43 0.67 -0.48 3.23 2.02 -1.26 -3.87 118.70 122.44 1i35 s GLU 35 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 1i35 s GLU 35 Cb 0.00 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.53 1i35 s GLU 35 CO 0.00 -0.19 0.63 -3.47 0.02 0.00 0.00 175.26 172.26 1i35 n ASP 36 N 0.60 -6.98 0.13 -0.19 2.03 -1.26 -4.85 116.55 106.03 1i35 n ASP 36 Ca -0.18 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1i35 n ASP 36 Cb 0.59 -3.98 0.10 0.00 -0.72 0.00 0.00 41.12 37.12 1i35 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i35 h ALA 37 N 1.87 0.73 -0.73 -1.67 0.00 -1.83 -3.39 119.26 114.24 1i35 h ALA 37 Ca -0.22 -0.55 0.21 0.00 0.00 0.00 0.00 54.91 54.35 1i35 h ALA 37 Cb 1.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1i35 h ALA 37 CO 0.23 0.76 0.94 1.03 0.00 0.00 0.00 179.25 182.21 1i35 h SER 38 N 0.00 0.00 -0.32 0.00 0.87 -1.85 0.92 113.55 113.16 1i35 h SER 38 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1i35 h SER 38 Cb 1.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1i35 h SER 38 CO 0.08 0.00 0.19 0.11 -0.53 0.00 0.00 176.83 176.68 1i35 h LYS 39 N 0.00 0.38 -5.91 2.24 1.57 -1.97 -3.45 116.57 109.44 1i35 h LYS 39 Ca 0.35 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.76 1i35 h LYS 39 Cb 2.23 -0.09 0.18 0.00 0.08 0.00 0.00 32.23 34.64 1i35 h LYS 39 CO -0.00 0.25 -1.53 1.19 -0.57 0.00 0.00 179.45 178.79 1i35 n PHE 40 N -4.90 -1.45 -4.11 -1.35 3.01 0.32 -4.09 117.46 104.88 1i35 n PHE 40 Ca -0.01 0.49 -0.09 0.00 1.01 0.00 0.00 57.45 58.85 1i35 n PHE 40 Cb 0.05 -1.41 -0.10 0.00 -0.01 0.00 0.00 39.48 38.01 1i35 n PHE 40 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i35 s ILE 41 N -2.05 0.12 -0.07 4.37 1.09 -0.10 -4.72 121.20 119.84 1i35 s ILE 41 Ca 0.32 -1.83 0.04 0.00 -1.10 0.00 0.00 60.65 58.07 1i35 s ILE 41 Cb 0.02 -1.90 -0.02 0.00 -1.06 0.00 0.00 42.46 39.50 1i35 s ILE 41 CO 0.47 -0.57 -0.19 -0.69 -0.10 0.00 0.00 174.94 173.87 1i35 s VAL 42 N -4.01 2.63 0.07 2.92 1.01 -1.00 -1.64 120.40 120.38 1i35 s VAL 42 Ca 0.20 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1i35 s VAL 42 Cb 0.07 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1i35 s VAL 42 CO -0.01 0.57 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 1i35 s VAL 44 N -1.16 4.15 -0.20 0.00 0.11 -0.79 0.11 120.40 122.63 1i35 s VAL 44 Ca 0.01 -1.13 -0.04 0.00 -2.93 0.00 0.00 61.98 57.88 1i35 s VAL 44 Cb -0.10 -3.07 0.07 0.00 -1.53 0.00 0.00 36.38 31.75 1i35 s VAL 44 CO 0.02 -0.03 0.08 -0.55 -3.33 0.00 0.00 175.10 171.29 1i35 s SER 45 N -2.80 2.70 -0.11 3.54 0.15 -1.26 -2.30 113.70 113.62 1i35 s SER 45 Ca 0.29 -0.79 -0.07 0.00 0.70 0.00 0.00 55.95 56.08 1i35 s SER 45 Cb -0.10 -0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 1i35 s SER 45 CO 0.21 -0.35 -0.14 1.67 1.20 0.00 0.00 173.24 175.83 1i35 n GLN 46 N 5.20 0.34 0.00 5.44 0.00 -1.26 -4.13 117.38 122.98 1i35 n GLN 46 Ca -0.07 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.38 1i35 n GLN 46 Cb 0.47 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.25 1i35 n GLN 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1i35 n SER 47 N -4.05 0.00 0.06 1.69 2.88 -1.26 -3.61 113.62 109.33 1i35 n SER 47 Ca -0.06 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1i35 n SER 47 Cb 0.21 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.55 1i35 n SER 47 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1i35 h SER 48 N 0.00 0.00 -3.33 -3.46 0.02 -1.99 -3.41 113.55 101.39 1i35 h SER 48 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1i35 h SER 48 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1i35 h SER 48 CO 0.00 0.97 0.48 -0.60 -1.14 0.00 0.00 176.83 176.54 1i35 s ARG 49 N -2.71 4.11 -0.02 3.45 6.06 -1.26 -5.03 118.95 123.54 1i35 s ARG 49 Ca 0.01 0.85 -0.23 0.00 -2.50 0.00 0.00 55.73 53.86 1i35 s ARG 49 Cb 0.10 -3.68 -0.05 0.00 0.06 0.00 0.00 34.95 31.39 1i35 s ARG 49 CO 0.82 -0.60 0.70 0.42 -2.50 0.00 0.00 175.30 174.14 1i35 s ILE 50 N 2.94 4.92 0.03 4.11 1.01 -1.26 -4.00 121.20 128.95 1i35 s ILE 50 Ca 0.35 1.46 0.07 0.00 0.00 0.00 0.00 60.65 62.53 1i35 s ILE 50 Cb -0.15 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1i35 s ILE 50 CO 0.09 0.32 -0.18 -0.54 0.00 0.00 0.00 174.94 174.64 1i35 s LYS 51 N 0.34 2.12 0.16 2.79 -0.14 -0.97 -5.06 119.74 118.97 1i35 s LYS 51 Ca 0.36 -0.95 0.10 0.00 -1.36 0.00 0.00 55.97 54.13 1i35 s LYS 51 Cb -0.19 -2.21 -0.04 0.00 -1.68 0.00 0.00 37.83 33.71 1i35 s LYS 51 CO 0.19 0.55 -0.23 -0.48 -0.76 0.00 0.00 175.35 174.62 1i35 s LEU 52 N -1.35 2.38 -0.08 3.17 0.05 -1.26 -1.89 118.68 119.70 1i35 s LEU 52 Ca 0.14 -0.80 -0.06 0.00 0.05 0.00 0.00 54.13 53.46 1i35 s LEU 52 Cb -0.10 -1.07 0.02 0.00 -2.05 0.00 0.00 46.19 42.99 1i35 s LEU 52 CO 0.05 0.10 0.20 -0.63 -0.55 0.00 0.00 176.35 175.51 1i35 s ILE 53 N -1.49 -0.01 0.00 1.48 1.09 0.71 -4.77 121.20 118.21 1i35 s ILE 53 Ca 0.16 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1i35 s ILE 53 Cb -0.08 -0.29 0.00 0.00 -1.06 0.00 0.00 42.46 41.03 1i35 s ILE 53 CO 0.07 0.01 0.00 0.41 -0.10 0.00 0.00 174.94 175.34 1i35 n THR 54 N 3.24 0.00 0.13 2.92 -1.04 -1.26 -2.39 114.28 115.88 1i35 n THR 54 Ca -0.15 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1i35 n THR 54 Cb 0.57 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1i35 n THR 54 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1i35 n GLU 55 N -1.04 0.00 0.15 -2.82 0.28 -1.26 -4.25 120.64 111.69 1i35 n GLU 55 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1i35 n GLU 55 Cb 0.00 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.96 1i35 n GLU 55 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1i35 h GLU 56 N 0.00 0.00 0.00 3.44 4.81 -1.98 -3.27 114.58 117.58 1i35 h GLU 56 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1i35 h GLU 56 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1i35 h GLU 56 CO 0.00 0.51 -0.32 1.05 -0.73 0.00 0.00 179.01 179.52 1i35 h GLU 57 N 0.00 0.00 -0.37 1.92 4.11 -1.97 -3.30 114.58 114.97 1i35 h GLU 57 Ca -0.01 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.50 1i35 h GLU 57 Cb 1.30 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 1i35 h GLU 57 CO 0.07 0.32 -0.06 0.27 0.07 0.00 0.00 179.01 179.68 1i35 h PHE 58 N 0.00 -0.13 0.21 2.06 -5.15 -1.91 2.41 116.94 114.43 1i35 h PHE 58 Ca -0.00 0.03 -0.01 0.00 -0.20 0.00 0.00 57.97 57.79 1i35 h PHE 58 Cb 0.68 0.12 0.00 0.00 0.22 0.00 0.00 35.95 36.97 1i35 h PHE 58 CO 0.00 -0.13 -0.10 -0.22 -2.00 0.00 0.00 178.31 175.86 1i35 h LYS 59 N 0.03 -0.28 -0.07 6.09 3.64 -1.82 -0.49 116.57 123.68 1i35 h LYS 59 Ca 0.18 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1i35 h LYS 59 Cb 0.27 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1i35 h LYS 59 CO -0.35 0.09 -0.36 -0.56 -2.27 0.00 0.00 179.45 176.00 1i35 h GLN 60 N -0.71 0.37 -0.02 1.90 3.07 -1.65 -2.29 115.11 115.78 1i35 h GLN 60 Ca -0.03 -0.30 -0.03 0.00 0.09 0.00 0.00 58.65 58.38 1i35 h GLN 60 Cb 0.49 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1i35 h GLN 60 CO 0.05 0.94 -0.11 0.82 0.09 0.00 0.00 178.83 180.62 1i35 h ILE 61 N -0.11 1.50 0.03 1.86 1.08 0.40 0.71 117.51 122.98 1i35 h ILE 61 Ca -0.02 -1.63 -0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1i35 h ILE 61 Cb 1.01 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 1i35 h ILE 61 CO 0.07 0.44 -0.02 0.00 -0.69 0.00 0.00 178.15 177.96 1i35 h PHE 63 N -0.58 0.18 0.00 0.00 -1.00 -1.27 -3.47 116.94 110.81 1i35 h PHE 63 Ca -0.00 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1i35 h PHE 63 Cb 0.53 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.05 1i35 h PHE 63 CO 0.10 0.62 0.00 0.09 -1.61 0.00 0.00 178.31 177.51 1i35 n ASN 64 N -3.95 0.00 0.00 2.17 3.02 0.24 -4.28 115.26 112.46 1i35 n ASN 64 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1i35 n ASN 64 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1i35 n ASN 64 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i35 n SER 65 N 2.09 0.00 -4.76 6.41 7.64 -1.26 -4.87 113.62 118.87 1i35 n SER 65 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1i35 n SER 65 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1i35 n SER 65 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i35 s SER 66 N -4.00 6.81 -0.35 6.43 0.15 -1.26 -5.06 113.70 116.42 1i35 s SER 66 Ca 0.00 0.97 -0.17 0.00 0.70 0.00 0.00 55.95 57.44 1i35 s SER 66 Cb 0.00 -2.30 -0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1i35 s SER 66 CO 0.00 0.12 0.47 -0.94 1.20 0.00 0.00 173.24 174.09 1i35 s SER 67 N -0.10 6.27 0.00 5.45 1.04 -1.26 -5.04 113.70 120.06 1i35 s SER 67 Ca 0.27 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1i35 s SER 67 Cb -0.17 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1i35 s SER 67 CO 0.13 -0.45 0.00 -0.81 0.98 0.00 0.00 173.24 173.10 1i35 n PRO 68 N 5.63 0.00 0.00 4.02 -0.04 -1.26 -4.88 135.00 138.47 1i35 n PRO 68 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1i35 n PRO 68 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1i35 n PRO 68 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1i35 n GLU 69 N 0.00 0.00 -3.63 0.54 -0.58 -1.26 -4.94 120.64 110.77 1i35 n GLU 69 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1i35 n GLU 69 Cb 0.00 -0.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.49 1i35 n GLU 69 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1i35 s ARG 70 N 0.00 0.11 2.79 3.49 1.04 -1.26 -5.16 118.95 119.97 1i35 s ARG 70 Ca 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 55.73 54.65 1i35 s ARG 70 Cb 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 34.95 32.96 1i35 s ARG 70 CO 0.00 -0.05 0.00 -3.47 -0.04 0.00 0.00 175.30 171.74 1i35 n ASP 71 N 0.01 0.00 0.00 -2.89 2.03 -1.26 -4.87 116.55 109.56 1i35 n ASP 71 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1i35 n ASP 71 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1i35 n ASP 71 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1i35 n ARG 72 N 0.00 0.00 -3.57 -0.67 0.63 -1.26 -4.76 116.66 107.03 1i35 n ARG 72 Ca 0.00 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.56 1i35 n ARG 72 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1i35 n ARG 72 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1i35 s LEU 73 N 0.00 4.18 0.04 6.15 2.34 -0.95 -4.23 118.68 126.21 1i35 s LEU 73 Ca 0.00 0.36 0.05 0.00 0.06 0.00 0.00 54.13 54.60 1i35 s LEU 73 Cb 0.00 -2.29 -0.03 0.00 -0.56 0.00 0.00 46.19 43.31 1i35 s LEU 73 CO 0.00 0.06 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.62 1i35 s ILE 74 N 0.79 3.37 -0.05 1.48 -1.09 0.12 0.13 121.20 125.94 1i35 s ILE 74 Ca 0.13 -1.00 0.06 0.00 -2.23 0.00 0.00 60.65 57.62 1i35 s ILE 74 Cb -0.13 -2.48 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1i35 s ILE 74 CO 0.04 0.31 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.19 1i35 s ILE 75 N -1.03 2.16 0.01 2.92 -1.09 0.44 0.06 121.20 124.67 1i35 s ILE 75 Ca 0.18 -1.04 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1i35 s ILE 75 Cb -0.11 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.98 1i35 s ILE 75 CO 0.09 0.57 -0.05 0.68 -1.23 0.00 0.00 174.94 174.99 1i35 s VAL 76 N -0.28 0.41 -0.76 2.92 -7.23 -0.65 -2.88 120.40 111.92 1i35 s VAL 76 Ca 0.00 -0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 59.51 1i35 s VAL 76 Cb -0.13 -0.38 0.04 0.00 0.56 0.00 0.00 36.38 36.47 1i35 s VAL 76 CO 0.03 -0.01 1.24 -2.16 -0.31 0.00 0.00 175.10 173.88 1i35 s PRO 77 N -0.46 3.24 0.03 4.82 0.04 -1.26 -0.92 135.00 140.49 1i35 s PRO 77 Ca -0.01 -0.51 0.02 0.00 0.04 0.00 0.00 61.00 60.54 1i35 s PRO 77 Cb -0.04 -4.36 0.13 0.00 0.04 0.00 0.00 34.50 30.27 1i35 s PRO 77 CO -0.00 -2.08 0.15 1.17 0.04 0.00 0.00 177.00 176.27 1i35 n LYS 78 N 8.92 -0.01 0.00 4.56 4.81 -1.26 -2.31 118.16 132.88 1i35 n LYS 78 Ca 0.06 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1i35 n LYS 78 Cb 0.49 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 35.30 1i35 n LYS 78 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1i35 n GLU 79 N -3.20 0.00 0.00 1.64 2.13 -1.26 -3.92 120.64 116.03 1i35 n GLU 79 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1i35 n GLU 79 Cb 0.12 -0.79 0.00 0.00 0.27 0.00 0.00 31.44 31.04 1i35 n GLU 79 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1i35 n LYS 80 N 0.30 0.00 0.00 5.31 4.81 -0.98 -5.17 118.16 122.43 1i35 n LYS 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1i35 n LYS 80 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1i35 n LYS 80 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1i35 n PRO 81 N 0.00 1.47 -2.67 1.64 -0.04 -1.25 -4.68 135.00 129.47 1i35 n PRO 81 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1i35 n PRO 81 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 1i35 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i35 n PRO 83 N -3.21 0.72 0.00 0.00 -0.02 -1.26 -4.86 135.00 126.37 1i35 n PRO 83 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1i35 n PRO 83 Cb 0.63 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1i35 n PRO 83 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1i35 n SER 84 N 0.61 0.00 0.16 2.55 3.41 -1.26 -4.27 113.62 114.81 1i35 n SER 84 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1i35 n SER 84 Cb 0.35 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.55 1i35 n SER 84 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1i35 h PHE 85 N 0.00 0.00 0.00 7.33 -1.00 -1.84 -2.58 116.94 118.85 1i35 h PHE 85 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1i35 h PHE 85 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1i35 h PHE 85 CO 0.00 0.50 0.00 0.39 -1.61 0.00 0.00 178.31 177.59 1i35 n GLU 86 N -3.72 0.66 0.00 1.51 1.02 -0.87 -2.73 120.64 116.51 1i35 n GLU 86 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1i35 n GLU 86 Cb 0.55 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1i35 n GLU 86 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1i35 n ASP 87 N 0.19 0.00 -3.10 1.62 -0.08 -1.13 -4.53 116.55 109.52 1i35 n ASP 87 Ca 0.00 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 1i35 n ASP 87 Cb 0.17 0.04 -0.02 0.00 2.34 0.00 0.00 41.12 43.65 1i35 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i35 n LEU 88 N -2.04 -0.07 0.00 -2.67 -0.00 -0.99 -4.35 117.00 106.88 1i35 n LEU 88 Ca 0.00 -4.61 -0.29 0.00 -0.00 0.00 0.00 56.01 51.11 1i35 n LEU 88 Cb 0.00 0.73 0.23 0.00 -0.00 0.00 0.00 43.42 44.38 1i35 n LEU 88 CO 0.00 2.18 0.66 -2.11 -0.00 0.00 0.00 177.39 178.12 1i35 n ARG 89 N 0.73 -2.52 -4.19 1.47 -4.01 -1.10 -1.94 116.66 105.09 1i35 n ARG 89 Ca 0.20 -1.77 -0.34 0.00 -1.04 0.00 0.00 57.85 54.90 1i35 n ARG 89 Cb 0.62 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.51 1i35 n ARG 89 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 1i35 n ARG 90 N -4.42 -2.90 -2.77 2.89 0.63 -1.26 -2.52 116.66 106.32 1i35 n ARG 90 Ca 0.15 0.35 -0.03 0.00 -0.92 0.00 0.00 57.85 57.40 1i35 n ARG 90 Cb 0.56 -4.85 0.01 0.00 0.45 0.00 0.00 32.46 28.64 1i35 n ARG 90 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1i35 n SER 91 N -2.73 -6.40 0.00 6.15 7.64 -1.26 -4.79 113.62 112.23 1i35 n SER 91 Ca -0.03 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1i35 n SER 91 Cb 0.55 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 1i35 n SER 91 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1i35 n TRP 92 N -1.88 0.00 0.00 1.43 8.01 -0.82 -4.52 117.44 119.66 1i35 n TRP 92 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1i35 n TRP 92 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 1i35 n TRP 92 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1i35 n GLU 93 N 0.00 0.00 0.00 -0.99 4.07 -1.26 -4.30 120.64 118.16 1i35 n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1i35 n GLU 93 Cb 0.00 -0.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.37 1i35 n GLU 93 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1i35 n ILE 94 N 0.00 0.00 -0.63 6.31 3.06 -1.24 -4.36 119.36 122.50 1i35 n ILE 94 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1i35 n ILE 94 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1i35 n ILE 94 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43