#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 n SER 2 N 0.00 0.91 -4.57 1.61 3.41 -1.26 -4.77 113.62 108.95 1x48 n SER 2 Ca 0.00 0.70 -0.39 0.00 -0.26 0.00 0.00 58.87 58.92 1x48 n SER 2 Cb 0.00 -0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 1x48 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x48 s SER 3 N 5.87 6.31 -0.05 4.04 1.04 -1.26 -4.83 113.70 124.82 1x48 s SER 3 Ca 1.18 -1.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.38 1x48 s SER 3 Cb -1.44 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 62.20 1x48 s SER 3 CO 0.66 -1.71 1.32 -0.83 0.98 0.00 0.00 173.24 173.66 1x48 s GLY 4 N 5.10 -0.15 0.00 7.32 0.00 -1.26 -5.17 107.32 113.16 1x48 s GLY 4 Ca 0.56 0.07 0.08 0.00 0.00 0.00 0.00 44.72 45.43 1x48 s GLY 4 CO 0.04 6.28 -0.26 -0.56 0.00 0.00 0.00 173.10 178.60 1x48 s SER 5 N -3.89 3.04 -0.29 1.64 0.01 -1.26 -5.12 113.70 107.83 1x48 s SER 5 Ca 0.31 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 1x48 s SER 5 Cb -0.00 -0.32 0.17 0.00 0.21 0.00 0.00 66.02 66.08 1x48 s SER 5 CO -0.01 0.29 1.11 -0.55 0.41 0.00 0.00 173.24 174.49 1x48 s SER 6 N -0.82 -0.31 -0.38 2.44 0.15 -1.26 -5.11 113.70 108.42 1x48 s SER 6 Ca 0.10 0.49 -0.34 0.00 0.70 0.00 0.00 55.95 56.90 1x48 s SER 6 Cb -0.10 1.10 -0.15 0.00 -1.71 0.00 0.00 66.02 65.16 1x48 s SER 6 CO 0.00 -0.08 1.51 0.61 1.20 0.00 0.00 173.24 176.49 1x48 n GLY 7 N 3.36 -0.04 0.08 9.45 0.00 -1.26 -4.80 105.19 111.98 1x48 n GLY 7 Ca -0.18 0.83 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 1x48 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x48 h TYR 8 N 6.01 0.11 -0.70 1.61 -1.99 -1.97 -3.32 116.97 116.72 1x48 h TYR 8 Ca -0.15 -0.08 0.27 0.00 2.00 0.00 0.00 58.73 60.77 1x48 h TYR 8 Cb 1.07 -0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.67 1x48 h TYR 8 CO 0.68 1.10 0.29 -0.89 -0.00 0.00 0.00 178.16 179.33 1x48 n ILE 9 N -3.28 -0.30 -0.04 -2.88 2.08 -1.26 0.17 119.36 113.85 1x48 n ILE 9 Ca -0.10 1.46 -0.09 0.00 0.56 0.00 0.00 62.75 64.58 1x48 n ILE 9 Cb 1.00 -2.31 -0.14 0.00 -0.75 0.00 0.00 39.64 37.44 1x48 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x48 n GLY 10 N -1.23 -1.00 0.40 7.39 0.00 -1.26 -4.41 105.19 105.08 1x48 n GLY 10 Ca 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1x48 n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x48 n LEU 11 N -2.95 -0.85 0.06 0.99 4.77 0.45 -1.42 117.00 118.04 1x48 n LEU 11 Ca -0.21 1.73 -0.10 0.00 -0.03 0.00 0.00 56.01 57.40 1x48 n LEU 11 Cb 1.08 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 1x48 n LEU 11 CO 0.44 -1.48 0.51 0.58 -1.33 0.00 0.00 177.39 176.11 1x48 h VAL 12 N 0.00 0.00 -0.23 4.08 2.07 -1.73 0.29 116.25 120.72 1x48 h VAL 12 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.79 1x48 h VAL 12 Cb 0.49 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1x48 h VAL 12 CO -0.95 0.00 -0.14 0.59 0.02 0.00 0.00 177.57 177.09 1x48 n ASN 13 N -4.30 -0.25 0.30 0.57 3.02 -0.50 -0.97 115.26 113.12 1x48 n ASN 13 Ca -0.05 0.91 -0.17 0.00 -0.03 0.00 0.00 54.58 55.24 1x48 n ASN 13 Cb 0.25 -0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 1x48 n ASN 13 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x48 h SER 14 N 0.00 -1.00 -0.62 6.41 0.87 -1.29 -3.05 113.55 114.87 1x48 h SER 14 Ca 0.04 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 1x48 h SER 14 Cb 0.10 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 1x48 h SER 14 CO -0.22 -0.57 -0.37 0.33 -0.53 0.00 0.00 176.83 175.48 1x48 n PHE 15 N -5.50 -0.27 -0.07 2.24 -0.00 1.00 -0.62 117.46 114.23 1x48 n PHE 15 Ca -0.12 0.78 -0.07 0.00 -0.00 0.00 0.00 57.45 58.05 1x48 n PHE 15 Cb 0.40 -0.53 -0.05 0.00 -0.00 0.00 0.00 39.48 39.30 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x48 h ALA 16 N 0.21 -0.53 -0.64 3.13 0.00 -0.96 -0.15 119.26 120.31 1x48 h ALA 16 Ca 0.10 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1x48 h ALA 16 Cb 0.26 0.91 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1x48 h ALA 16 CO -0.59 -0.66 -0.27 0.37 0.00 0.00 0.00 179.25 178.10 1x48 h GLN 17 N -0.19 -0.09 -1.00 0.00 5.75 -0.90 0.34 115.11 119.01 1x48 h GLN 17 Ca 0.03 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 58.73 1x48 h GLN 17 Cb 0.29 0.02 -0.11 0.00 1.07 0.00 0.00 27.48 28.75 1x48 h GLN 17 CO -0.28 -0.06 0.61 0.87 -2.65 0.00 0.00 178.83 177.31 1x48 h LYS 18 N -0.10 0.74 -0.80 1.69 1.57 0.01 0.50 116.57 120.19 1x48 h LYS 18 Ca 0.28 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1x48 h LYS 18 Cb 0.54 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1x48 h LYS 18 CO -0.71 0.49 0.14 1.63 -0.57 0.00 0.00 179.45 180.44 1x48 n LYS 19 N -4.77 3.12 -4.45 3.15 5.02 0.10 -4.89 118.16 115.44 1x48 n LYS 19 Ca 0.23 -2.13 -0.41 0.00 -2.02 0.00 0.00 58.31 53.98 1x48 n LYS 19 Cb 0.56 -1.96 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x48 n LYS 20 N 0.10 -0.94 -2.88 1.97 5.02 0.18 -4.90 118.16 116.71 1x48 n LYS 20 Ca 0.26 0.15 -0.18 0.00 -2.02 0.00 0.00 58.31 56.51 1x48 n LYS 20 Cb 1.03 -4.73 0.02 0.00 -0.02 0.00 0.00 35.03 31.33 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x48 s LEU 21 N -7.16 3.52 -0.29 -0.35 1.43 -0.32 -4.99 118.68 110.53 1x48 s LEU 21 Ca 0.80 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1x48 s LEU 21 Cb -0.47 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1x48 s LEU 21 CO 0.98 -0.90 0.05 -0.44 0.23 0.00 0.00 176.35 176.27 1x48 s SER 22 N -4.38 4.96 -0.14 2.29 0.01 -1.26 -4.43 113.70 110.74 1x48 s SER 22 Ca 0.56 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 1x48 s SER 22 Cb -0.10 -1.83 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1x48 s SER 22 CO 0.35 -0.18 -0.04 0.54 0.41 0.00 0.00 173.24 174.32 1x48 s VAL 23 N 1.45 3.89 0.20 3.43 0.11 -1.26 -1.10 120.40 127.11 1x48 s VAL 23 Ca 0.02 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 1x48 s VAL 23 Cb -0.17 -2.69 -0.05 0.00 -1.53 0.00 0.00 36.38 31.95 1x48 s VAL 23 CO 0.01 0.51 -0.11 0.20 -3.33 0.00 0.00 175.10 172.39 1x48 s ASN 24 N 0.14 2.25 -0.27 3.54 0.01 0.26 -5.00 114.94 115.87 1x48 s ASN 24 Ca -0.01 -1.05 -0.01 0.00 -0.71 0.00 0.00 52.86 51.07 1x48 s ASN 24 Cb -0.14 -0.08 0.09 0.00 0.41 0.00 0.00 41.25 41.53 1x48 s ASN 24 CO 0.03 -0.28 0.07 -0.31 -1.51 0.00 0.00 177.10 175.10 1x48 s TYR 25 N -3.14 1.55 0.08 2.20 2.02 -1.26 -1.10 117.35 117.71 1x48 s TYR 25 Ca 0.22 -1.48 -0.24 0.00 -0.37 0.00 0.00 57.07 55.20 1x48 s TYR 25 Cb 0.01 -1.50 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 1x48 s TYR 25 CO 0.05 -0.80 0.72 -1.21 -1.57 0.00 0.00 175.55 172.75 1x48 s GLU 26 N 1.67 4.45 -0.06 -0.62 2.02 0.18 -4.86 118.70 121.49 1x48 s GLU 26 Ca 0.05 1.00 0.05 0.00 0.02 0.00 0.00 54.97 56.10 1x48 s GLU 26 Cb -0.17 -3.31 -0.00 0.00 0.10 0.00 0.00 34.13 30.74 1x48 s GLU 26 CO -0.19 0.45 -0.21 1.14 0.02 0.00 0.00 175.26 176.46 1x48 s GLN 27 N -0.60 2.24 0.12 1.61 -2.07 -1.26 -0.64 119.66 119.05 1x48 s GLN 27 Ca 0.35 -0.75 0.05 0.00 -1.82 0.00 0.00 55.36 53.19 1x48 s GLN 27 Cb -0.21 -1.88 -0.04 0.00 -1.09 0.00 0.00 33.01 29.79 1x48 s GLN 27 CO 0.23 0.28 0.02 0.00 -1.32 0.00 0.00 175.29 174.50 1x48 s GLU 29 N -2.54 4.07 0.26 0.00 8.01 -1.26 -4.57 118.70 122.67 1x48 s GLU 29 Ca 0.27 0.79 0.04 0.00 0.01 0.00 0.00 54.97 56.07 1x48 s GLU 29 Cb -0.11 -2.38 0.34 0.00 -4.31 0.00 0.00 34.13 27.66 1x48 s GLU 29 CO 0.19 0.12 1.64 -1.00 0.01 0.00 0.00 175.26 176.22 1x48 h PRO 30 N 2.21 0.34 -1.61 0.39 0.13 -1.78 -3.18 132.00 128.50 1x48 h PRO 30 Ca -0.48 -0.18 0.48 0.00 -0.87 0.00 0.00 66.00 64.95 1x48 h PRO 30 Cb 1.18 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1x48 h PRO 30 CO 0.64 0.73 1.14 -1.71 -0.23 0.00 0.00 178.00 178.57 1x48 n ASN 31 N -4.00 0.04 -0.03 1.44 2.85 -1.26 -1.92 115.26 112.38 1x48 n ASN 31 Ca -0.02 0.95 -0.03 0.00 -0.11 0.00 0.00 54.58 55.37 1x48 n ASN 31 Cb 0.52 -0.47 -0.01 0.00 1.24 0.00 0.00 39.78 41.06 1x48 n ASN 31 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1x48 n SER 32 N -3.85 0.78 -4.63 1.20 7.64 -1.20 -4.90 113.62 108.66 1x48 n SER 32 Ca 0.38 0.20 -0.43 0.00 1.01 0.00 0.00 58.87 60.03 1x48 n SER 32 Cb 1.67 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 64.24 1x48 n SER 32 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x48 s GLU 33 N -1.72 3.97 0.28 1.43 2.02 -0.81 -5.02 118.70 118.85 1x48 s GLU 33 Ca -0.11 1.09 0.10 0.00 0.02 0.00 0.00 54.97 56.08 1x48 s GLU 33 Cb 0.01 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 1x48 s GLU 33 CO 0.16 -1.04 -0.05 -0.51 0.02 0.00 0.00 175.26 173.84 1x48 s LEU 34 N 4.03 3.01 0.64 1.80 1.02 -1.26 -4.12 118.68 123.80 1x48 s LEU 34 Ca 0.50 -0.80 -0.16 0.00 0.02 0.00 0.00 54.13 53.69 1x48 s LEU 34 Cb -0.13 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.56 1x48 s LEU 34 CO 0.20 -0.03 1.11 -2.16 0.02 0.00 0.00 176.35 175.49 1x48 s PRO 35 N -3.64 2.91 -0.91 1.29 0.04 -1.26 -4.97 135.00 128.46 1x48 s PRO 35 Ca 0.32 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 1x48 s PRO 35 Cb -0.05 -1.96 -0.23 0.00 0.04 0.00 0.00 34.50 32.29 1x48 s PRO 35 CO 0.19 -1.17 2.31 0.00 0.04 0.00 0.00 177.00 178.37 1x48 n GLN 36 N -2.19 0.00 -4.27 4.56 10.64 -1.26 -4.84 117.38 120.02 1x48 n GLN 36 Ca 0.11 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.13 1x48 n GLN 36 Cb 0.52 -1.23 -0.10 0.00 -0.86 0.00 0.00 30.24 28.56 1x48 n GLN 36 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1x48 s ARG 37 N 7.67 1.20 -0.09 2.61 1.70 -1.26 -5.05 118.95 125.73 1x48 s ARG 37 Ca 1.23 -1.60 -0.11 0.00 -0.47 0.00 0.00 55.73 54.79 1x48 s ARG 37 Cb -1.04 -0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 32.97 1x48 s ARG 37 CO 0.47 -0.15 0.26 -0.06 -1.08 0.00 0.00 175.30 174.73 1x48 s PHE 38 N -3.63 3.61 0.00 5.89 0.40 -0.28 -4.45 117.98 119.52 1x48 s PHE 38 Ca 0.27 0.69 -0.01 0.00 -0.60 0.00 0.00 56.93 57.28 1x48 s PHE 38 Cb 0.06 -2.14 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1x48 s PHE 38 CO 0.06 0.60 0.00 0.42 0.70 0.00 0.00 175.22 177.00 1x48 s ILE 39 N -0.71 0.05 -0.10 0.64 1.01 -1.26 -1.06 121.20 119.76 1x48 s ILE 39 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1x48 s ILE 39 Cb -0.14 -0.13 0.05 0.00 0.01 0.00 0.00 42.46 42.25 1x48 s ILE 39 CO 0.07 -0.21 0.11 0.00 0.00 0.00 0.00 174.94 174.91 1x48 s LYS 41 N 2.21 4.00 -0.35 0.00 1.02 0.19 0.15 119.74 126.96 1x48 s LYS 41 Ca 0.04 -0.27 -0.20 0.00 0.02 0.00 0.00 55.97 55.56 1x48 s LYS 41 Cb -0.14 -3.62 -0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1x48 s LYS 41 CO -0.06 -0.10 0.60 0.00 -0.92 0.00 0.00 175.35 174.87 1x48 s LYS 43 N 2.60 2.30 -0.31 0.00 1.02 -0.25 -2.90 119.74 122.19 1x48 s LYS 43 Ca 0.23 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.35 1x48 s LYS 43 Cb -0.15 -2.37 0.09 0.00 -0.52 0.00 0.00 37.83 34.88 1x48 s LYS 43 CO 0.14 0.55 0.02 0.42 -0.92 0.00 0.00 175.35 175.56 1x48 s ILE 44 N -1.08 1.94 -0.74 2.17 -1.09 -0.19 -0.57 121.20 121.63 1x48 s ILE 44 Ca 0.19 -1.93 -0.03 0.00 -2.23 0.00 0.00 60.65 56.64 1x48 s ILE 44 Cb -0.11 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 1x48 s ILE 44 CO 0.10 -0.46 0.64 0.61 -1.23 0.00 0.00 174.94 174.60 1x48 n GLY 45 N 4.43 0.07 2.27 6.18 0.00 -0.26 -2.85 105.19 115.03 1x48 n GLY 45 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1x48 n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x48 n GLN 46 N -2.96 -0.92 -4.95 1.61 -0.06 -1.26 -5.01 117.38 103.83 1x48 n GLN 46 Ca -0.05 0.71 -0.28 0.00 -2.00 0.00 0.00 57.00 55.38 1x48 n GLN 46 Cb 0.56 -4.83 -0.16 0.00 -4.06 0.00 0.00 30.24 21.75 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1x48 s THR 47 N -2.55 1.60 -0.11 1.69 2.01 -1.13 -5.11 115.64 112.04 1x48 s THR 47 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1x48 s THR 47 Cb 0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1x48 s THR 47 CO 0.00 0.46 1.15 -0.32 -0.69 0.00 0.00 174.62 175.21 1x48 s MET 48 N -0.02 4.34 0.06 4.92 1.75 -1.26 -1.02 119.30 128.07 1x48 s MET 48 Ca -0.04 1.57 -0.02 0.00 -1.25 0.00 0.00 55.69 55.96 1x48 s MET 48 Cb -0.12 -3.60 -0.01 0.00 2.84 0.00 0.00 34.83 33.94 1x48 s MET 48 CO 0.03 -0.48 -0.03 0.66 -0.65 0.00 0.00 175.02 174.54 1x48 n TYR 49 N 5.53 0.00 -3.99 4.11 4.02 -1.20 -4.96 117.16 120.67 1x48 n TYR 49 Ca 0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.91 1x48 n TYR 49 Cb 0.47 -0.04 -0.05 0.00 -0.02 0.00 0.00 39.34 39.69 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x48 s GLY 50 N -3.96 0.54 0.14 2.72 0.00 -1.14 -4.53 107.32 101.09 1x48 s GLY 50 Ca -0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 1x48 s GLY 50 CO 0.04 -0.60 0.32 -1.08 0.00 0.00 0.00 173.10 171.77 1x48 s THR 51 N -3.91 0.08 0.11 0.90 -1.32 -1.25 0.10 115.64 110.35 1x48 s THR 51 Ca 0.22 -1.11 0.04 0.00 -1.21 0.00 0.00 61.69 59.63 1x48 s THR 51 Cb -0.01 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1x48 s THR 51 CO 0.10 -0.36 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.20 1x48 s GLY 52 N -2.90 0.95 -0.03 6.08 0.00 0.12 -3.85 107.32 107.69 1x48 s GLY 52 Ca 0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1x48 s GLY 52 CO -0.05 -1.35 0.06 -1.35 0.00 0.00 0.00 173.10 170.41 1x48 s SER 53 N -2.58 0.23 0.19 1.64 1.04 -1.26 -1.10 113.70 111.86 1x48 s SER 53 Ca 0.09 0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 1x48 s SER 53 Cb -0.02 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1x48 s SER 53 CO 0.01 -0.16 0.59 0.61 0.98 0.00 0.00 173.24 175.27 1x48 n GLY 54 N 4.41 1.10 0.16 7.32 0.00 -0.23 -4.71 105.19 113.25 1x48 n GLY 54 Ca -0.23 -1.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 1x48 n GLY 54 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x48 h VAL 55 N 1.64 1.41 -4.05 1.61 -1.51 -1.97 -0.74 116.25 112.64 1x48 h VAL 55 Ca -0.20 -2.12 -0.68 0.00 -1.23 0.00 0.00 66.70 62.48 1x48 h VAL 55 Cb 0.79 2.10 -0.31 0.00 -2.13 0.00 0.00 31.29 31.73 1x48 h VAL 55 CO 0.26 0.62 -0.88 -0.89 -1.23 0.00 0.00 177.57 175.45 1x48 s THR 56 N -3.64 1.99 0.18 7.19 2.01 -1.26 -4.45 115.64 117.66 1x48 s THR 56 Ca -0.04 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 60.73 1x48 s THR 56 Cb 0.11 -1.68 0.12 0.00 0.01 0.00 0.00 72.50 71.06 1x48 s THR 56 CO 0.81 0.55 1.36 1.17 -0.69 0.00 0.00 174.62 177.82 1x48 n LYS 57 N 2.93 -0.27 -0.24 4.92 4.81 -1.26 -0.53 118.16 128.52 1x48 n LYS 57 Ca -0.17 1.34 -0.12 0.00 -0.87 0.00 0.00 58.31 58.49 1x48 n LYS 57 Cb 0.52 -1.99 -0.09 0.00 0.02 0.00 0.00 35.03 33.49 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1x48 h GLN 58 N 0.00 -0.22 -1.05 1.64 5.75 -1.98 0.43 115.11 119.69 1x48 h GLN 58 Ca 0.25 0.01 0.33 0.00 -0.15 0.00 0.00 58.65 59.09 1x48 h GLN 58 Cb 0.47 0.05 -0.14 0.00 1.07 0.00 0.00 27.48 28.93 1x48 h GLN 58 CO -0.86 -0.14 0.62 1.49 -2.65 0.00 0.00 178.83 177.28 1x48 h GLU 59 N -0.23 0.29 0.35 1.69 4.57 -1.22 0.87 114.58 120.90 1x48 h GLU 59 Ca 0.10 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1x48 h GLU 59 Cb 0.49 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1x48 h GLU 59 CO -0.69 0.19 -0.17 0.00 -1.18 0.00 0.00 179.01 177.17 1x48 h ALA 60 N 1.80 -0.58 -1.02 2.92 0.00 0.12 -3.07 119.26 119.42 1x48 h ALA 60 Ca 0.73 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.86 1x48 h ALA 60 Cb 1.77 0.18 -0.14 0.00 0.00 0.00 0.00 17.79 19.60 1x48 h ALA 60 CO -0.55 -0.55 0.59 -0.22 0.00 0.00 0.00 179.25 178.52 1x48 h LYS 61 N -0.87 0.34 0.31 0.00 3.64 0.03 0.44 116.57 120.45 1x48 h LYS 61 Ca -0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1x48 h LYS 61 Cb 0.36 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1x48 h LYS 61 CO 0.08 0.23 -0.25 1.96 -2.27 0.00 0.00 179.45 179.20 1x48 h GLN 62 N 0.35 -0.52 -0.80 1.90 4.20 -0.91 -2.93 115.11 116.40 1x48 h GLN 62 Ca 0.72 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.57 1x48 h GLN 62 Cb 1.65 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 29.47 1x48 h GLN 62 CO -0.57 -0.35 0.44 -0.07 -0.67 0.00 0.00 178.83 177.61 1x48 h LEU 63 N -0.54 0.62 -1.66 1.46 3.38 -1.19 -0.81 115.31 116.57 1x48 h LEU 63 Ca -0.04 0.05 0.41 0.00 0.09 0.00 0.00 57.88 58.39 1x48 h LEU 63 Cb 0.45 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1x48 h LEU 63 CO 0.00 0.35 1.20 0.00 0.09 0.00 0.00 178.44 180.08 1x48 h ALA 64 N 1.46 3.32 0.01 1.53 0.00 -0.76 0.29 119.26 125.11 1x48 h ALA 64 Ca 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1x48 h ALA 64 Cb 0.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x48 h ALA 64 CO -0.26 -1.93 -0.01 0.00 0.00 0.00 0.00 179.25 177.06 1x48 h ALA 65 N 0.93 -0.01 -0.81 0.00 0.00 -1.08 -2.92 119.26 115.36 1x48 h ALA 65 Ca 0.67 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 55.40 1x48 h ALA 65 Cb 3.06 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 20.71 1x48 h ALA 65 CO -0.01 -0.03 -0.24 1.17 0.00 0.00 0.00 179.25 180.15 1x48 n LYS 66 N -4.68 -0.11 -0.04 0.00 4.81 0.10 0.41 118.16 118.65 1x48 n LYS 66 Ca -0.07 1.26 -0.13 0.00 -0.87 0.00 0.00 58.31 58.50 1x48 n LYS 66 Cb 0.33 -1.88 -0.08 0.00 0.02 0.00 0.00 35.03 33.41 1x48 n LYS 66 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x48 h GLU 67 N 0.00 0.23 -0.83 1.64 4.57 -1.66 -3.07 114.58 115.45 1x48 h GLU 67 Ca 0.36 -0.13 0.21 0.00 -1.18 0.00 0.00 59.36 58.62 1x48 h GLU 67 Cb 0.56 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1x48 h GLU 67 CO -0.83 0.68 0.57 0.00 -1.18 0.00 0.00 179.01 178.25 1x48 h ALA 68 N 0.55 2.47 0.39 2.92 0.00 0.16 -1.67 119.26 124.07 1x48 h ALA 68 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1x48 h ALA 68 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x48 h ALA 68 CO 0.03 -0.72 -0.19 -0.92 0.00 0.00 0.00 179.25 177.45 1x48 h TYR 69 N 0.20 -0.48 -0.76 0.00 3.20 -0.27 -3.02 116.97 115.85 1x48 h TYR 69 Ca 0.41 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.38 1x48 h TYR 69 Cb 1.31 0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.66 1x48 h TYR 69 CO -0.00 -0.16 0.38 1.96 -1.64 0.00 0.00 178.16 178.70 1x48 h GLN 70 N -0.83 0.60 -0.87 1.82 1.08 -1.29 0.06 115.11 115.68 1x48 h GLN 70 Ca -0.05 -0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.29 1x48 h GLN 70 Cb 0.54 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 1x48 h GLN 70 CO 0.09 0.40 0.57 0.87 -0.95 0.00 0.00 178.83 179.81 1x48 h LYS 71 N 0.62 0.45 -0.00 1.46 1.79 -1.33 -1.49 116.57 118.07 1x48 h LYS 71 Ca 0.38 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.76 1x48 h LYS 71 Cb 0.44 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1x48 h LYS 71 CO -0.30 0.30 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.06 1x48 h LEU 72 N 0.47 0.22 -2.00 2.94 3.38 -0.88 0.12 115.31 119.55 1x48 h LEU 72 Ca 0.45 -0.77 0.15 0.00 0.09 0.00 0.00 57.88 57.80 1x48 h LEU 72 Cb 1.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1x48 h LEU 72 CO -0.18 0.96 0.46 -0.07 0.09 0.00 0.00 178.44 179.70 1x48 h LEU 73 N -0.50 0.00 0.00 1.67 3.38 -0.51 -1.96 115.31 117.39 1x48 h LEU 73 Ca -0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 1x48 h LEU 73 Cb 1.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1x48 h LEU 73 CO 0.05 0.00 -1.65 0.29 0.09 0.00 0.00 178.44 177.22 1x48 n LYS 74 N -4.00 0.56 -3.92 1.13 4.01 -0.69 -4.77 118.16 110.47 1x48 n LYS 74 Ca 0.10 0.44 -0.29 0.00 -0.51 0.00 0.00 58.31 58.05 1x48 n LYS 74 Cb 0.67 -1.64 -0.13 0.00 -0.51 0.00 0.00 35.03 33.42 1x48 n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x48 s SER 75 N -6.95 4.49 0.83 4.39 0.01 0.40 -5.10 113.70 111.76 1x48 s SER 75 Ca -0.31 -3.34 -0.11 0.00 1.31 0.00 0.00 55.95 53.50 1x48 s SER 75 Cb 0.09 -1.62 0.09 0.00 0.21 0.00 0.00 66.02 64.78 1x48 s SER 75 CO 0.52 -0.17 1.09 -2.16 0.41 0.00 0.00 173.24 172.93 1x48 s PRO 76 N -0.74 1.81 0.27 12.44 0.04 -0.77 -4.35 135.00 143.70 1x48 s PRO 76 Ca 0.20 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 1x48 s PRO 76 Cb -0.17 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 1x48 s PRO 76 CO -0.07 -1.91 1.25 -1.25 0.04 0.00 0.00 177.00 175.07 1x48 s PRO 77 N -4.92 4.44 -0.44 0.56 0.04 -1.26 -5.01 135.00 128.41 1x48 s PRO 77 Ca 0.62 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.67 1x48 s PRO 77 Cb -0.18 -3.14 0.12 0.00 0.04 0.00 0.00 34.50 31.34 1x48 s PRO 77 CO 0.56 -0.11 0.26 0.21 0.04 0.00 0.00 177.00 177.97 1x48 s LYS 78 N -1.13 2.17 -0.35 4.56 2.36 -1.26 -5.04 119.74 121.05 1x48 s LYS 78 Ca 0.50 -1.84 0.04 0.00 -2.55 0.00 0.00 55.97 52.12 1x48 s LYS 78 Cb -0.37 -3.69 0.10 0.00 -1.05 0.00 0.00 37.83 32.82 1x48 s LYS 78 CO 0.45 -1.11 0.07 0.95 1.55 0.00 0.00 175.35 177.25 1x48 s THR 79 N 1.14 2.20 0.23 3.43 -4.23 -1.26 -5.10 115.64 112.05 1x48 s THR 79 Ca 0.08 -2.35 -0.30 0.00 -1.18 0.00 0.00 61.69 57.94 1x48 s THR 79 Cb -0.24 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.89 1x48 s THR 79 CO -0.03 -0.62 1.40 0.00 -0.54 0.00 0.00 174.62 174.83 1x48 s ALA 80 N 0.87 3.60 0.00 3.99 0.00 -1.26 -4.70 121.76 124.26 1x48 s ALA 80 Ca 0.11 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1x48 s ALA 80 Cb -0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1x48 s ALA 80 CO -0.09 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1x48 n GLY 81 N 2.28 0.61 3.56 0.00 0.00 -1.26 -5.00 105.19 105.37 1x48 n GLY 81 Ca 0.07 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x48 s THR 82 N 0.00 0.00 0.45 2.61 -1.32 -1.26 -5.15 115.64 110.97 1x48 s THR 82 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1x48 s THR 82 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 1x48 s THR 82 CO 0.00 0.00 1.39 -0.55 -2.21 0.00 0.00 174.62 173.25 1x48 s SER 83 N -1.68 5.89 0.20 8.08 0.15 -1.26 -4.99 113.70 120.10 1x48 s SER 83 Ca 0.02 2.83 -0.19 0.00 0.70 0.00 0.00 55.95 59.32 1x48 s SER 83 Cb -0.01 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 1x48 s SER 83 CO -0.03 -1.16 0.69 -0.83 1.20 0.00 0.00 173.24 173.11 1x48 s GLY 84 N -0.63 2.59 -0.89 9.45 0.00 -1.26 -4.98 107.32 111.60 1x48 s GLY 84 Ca 0.62 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 45.19 1x48 s GLY 84 CO 0.53 0.45 1.94 2.56 0.00 0.00 0.00 173.10 178.58 1x48 s PRO 85 N -1.94 2.56 0.32 2.90 0.04 -1.26 -4.95 135.00 132.67 1x48 s PRO 85 Ca 0.41 -0.24 -0.29 0.00 0.04 0.00 0.00 61.00 60.92 1x48 s PRO 85 Cb -0.16 -5.02 -0.11 0.00 0.04 0.00 0.00 34.50 29.24 1x48 s PRO 85 CO 0.21 -3.34 1.54 0.45 0.04 0.00 0.00 177.00 175.90 1x48 s SER 86 N 8.03 6.39 -0.26 6.66 0.15 -1.26 -4.95 113.70 128.47 1x48 s SER 86 Ca 0.70 2.96 -0.26 0.00 0.70 0.00 0.00 55.95 60.05 1x48 s SER 86 Cb -0.07 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1x48 s SER 86 CO 0.00 -0.88 0.89 -0.44 1.20 0.00 0.00 173.24 174.02 1x48 s SER 87 N 0.24 6.87 0.00 5.45 0.01 -1.26 -5.33 113.70 119.68 1x48 s SER 87 Ca 0.59 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1x48 s SER 87 Cb -0.47 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.30 1x48 s SER 87 CO 0.53 -0.61 0.28 0.61 0.41 0.00 0.00 173.24 174.46