#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3c s SER 2 N 0.00 3.10 0.34 1.61 0.01 -1.26 -5.17 113.70 112.33 1x3c s SER 2 Ca 0.00 -1.29 0.03 0.00 1.31 0.00 0.00 55.95 56.00 1x3c s SER 2 Cb 0.00 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 1x3c s SER 2 CO 0.00 -0.43 0.12 -0.44 0.41 0.00 0.00 173.24 172.90 1x3c s SER 3 N -3.55 2.09 -0.01 2.44 0.01 -1.26 -5.17 113.70 108.25 1x3c s SER 3 Ca 0.33 -1.54 -0.18 0.00 1.31 0.00 0.00 55.95 55.87 1x3c s SER 3 Cb 0.07 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.66 1x3c s SER 3 CO 0.15 -0.82 0.84 0.61 0.41 0.00 0.00 173.24 174.43 1x3c n GLY 4 N -0.70 0.38 3.58 3.44 0.00 -1.26 -5.19 105.19 105.44 1x3c n GLY 4 Ca -0.02 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 1x3c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x3c s SER 5 N -2.86 -0.29 -0.21 1.61 0.15 -1.26 -5.18 113.70 105.66 1x3c s SER 5 Ca 0.20 0.23 -0.28 0.00 0.70 0.00 0.00 55.95 56.79 1x3c s SER 5 Cb -0.01 0.25 0.13 0.00 -1.71 0.00 0.00 66.02 64.69 1x3c s SER 5 CO -0.00 -0.33 1.05 -0.94 1.20 0.00 0.00 173.24 174.22 1x3c s SER 6 N -1.46 -0.35 0.00 5.45 1.04 -1.26 -5.19 113.70 111.93 1x3c s SER 6 Ca 0.02 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1x3c s SER 6 Cb -0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1x3c s SER 6 CO -0.02 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1x3c n GLY 7 N 1.16 1.50 3.67 7.32 0.00 -1.26 -5.19 105.19 112.40 1x3c n GLY 7 Ca -0.10 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 1x3c n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x3c s ARG 8 N -2.00 1.10 -0.15 1.61 3.52 -1.26 -5.15 118.95 116.61 1x3c s ARG 8 Ca 0.00 -0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1x3c s ARG 8 Cb 0.00 0.41 0.04 0.00 -1.56 0.00 0.00 34.95 33.83 1x3c s ARG 8 CO 0.00 -0.50 -0.06 0.15 -0.81 0.00 0.00 175.30 174.08 1x3c s LYS 9 N -3.26 1.48 0.36 5.12 1.02 -1.26 -5.12 119.74 118.08 1x3c s LYS 9 Ca 0.10 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.38 1x3c s LYS 9 Cb -0.01 -1.87 -0.12 0.00 -0.52 0.00 0.00 37.83 35.31 1x3c s LYS 9 CO -0.01 -0.37 1.37 1.63 -0.92 0.00 0.00 175.35 177.04 1x3c n LYS 10 N 4.90 2.34 -2.05 1.68 4.01 -1.26 -4.85 118.16 122.93 1x3c n LYS 10 Ca -0.12 0.82 -0.27 0.00 -0.51 0.00 0.00 58.31 58.23 1x3c n LYS 10 Cb 0.49 -2.46 -0.05 0.00 -0.51 0.00 0.00 35.03 32.49 1x3c n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1x3c s PRO 11 N -1.98 2.55 -0.64 1.97 0.04 -1.26 -4.86 135.00 130.81 1x3c s PRO 11 Ca 0.55 -0.47 0.05 0.00 0.04 0.00 0.00 61.00 61.16 1x3c s PRO 11 Cb -0.53 -5.10 0.16 0.00 0.04 0.00 0.00 34.50 29.07 1x3c s PRO 11 CO 0.63 -3.50 0.43 0.54 0.04 0.00 0.00 177.00 175.15 1x3c s VAL 12 N 10.25 2.57 -0.57 -0.36 0.11 -1.26 -5.00 120.40 126.14 1x3c s VAL 12 Ca 0.70 -3.93 0.04 0.00 -2.93 0.00 0.00 61.98 55.86 1x3c s VAL 12 Cb -0.05 -2.71 0.16 0.00 -1.53 0.00 0.00 36.38 32.24 1x3c s VAL 12 CO 0.02 -0.99 0.38 -0.44 -3.33 0.00 0.00 175.10 170.74 1x3c s SER 13 N -1.08 3.96 -0.66 3.54 0.01 -1.26 -4.95 113.70 113.27 1x3c s SER 13 Ca 0.24 -3.34 -0.00 0.00 1.31 0.00 0.00 55.95 54.16 1x3c s SER 13 Cb -0.08 -1.33 0.42 0.00 0.21 0.00 0.00 66.02 65.24 1x3c s SER 13 CO -0.14 -0.16 1.85 0.00 0.41 0.00 0.00 173.24 175.21 1x3c n GLN 14 N 2.62 2.89 -3.25 12.44 10.64 -1.26 -5.00 117.38 136.46 1x3c n GLN 14 Ca 0.16 -3.57 -0.24 0.00 -1.83 0.00 0.00 57.00 51.52 1x3c n GLN 14 Cb 0.36 -2.28 -0.01 0.00 -0.86 0.00 0.00 30.24 27.46 1x3c n GLN 14 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1x3c s SER 15 N -1.96 6.26 0.80 2.61 0.01 -1.26 -5.06 113.70 115.10 1x3c s SER 15 Ca 0.58 0.51 -0.15 0.00 1.31 0.00 0.00 55.95 58.20 1x3c s SER 15 Cb 0.47 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.68 1x3c s SER 15 CO -0.15 -0.36 0.70 0.00 0.41 0.00 0.00 173.24 173.84 1x3c n LEU 16 N -1.87 1.66 -0.08 2.44 -0.00 -1.26 -4.95 117.00 112.94 1x3c n LEU 16 Ca -0.04 0.53 -0.06 0.00 -0.00 0.00 0.00 56.01 56.45 1x3c n LEU 16 Cb 0.56 -1.30 -0.15 0.00 -0.00 0.00 0.00 43.42 42.54 1x3c n LEU 16 CO 0.49 -2.81 -1.04 -1.84 -0.00 0.00 0.00 177.39 172.20 1x3c n GLU 17 N -1.65 0.93 -3.83 1.47 0.00 -1.26 -4.99 120.64 111.31 1x3c n GLU 17 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 57.16 57.10 1x3c n GLU 17 Cb 0.51 -1.47 -0.11 0.00 0.00 0.00 0.00 31.44 30.36 1x3c n GLU 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1x3c s PHE 18 N -2.60 -0.12 -0.02 -1.84 -0.12 -1.26 -4.97 117.98 107.04 1x3c s PHE 18 Ca -0.09 0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 56.82 1x3c s PHE 18 Cb 0.07 0.03 -0.20 0.00 -0.63 0.00 0.00 43.02 42.29 1x3c s PHE 18 CO 0.76 -0.16 1.27 -1.00 -0.05 0.00 0.00 175.22 176.04 1x3c h PRO 19 N 5.31 0.02 0.00 1.99 0.13 -1.94 -3.48 132.00 134.03 1x3c h PRO 19 Ca -0.27 -0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.51 1x3c h PRO 19 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1x3c h PRO 19 CO 0.40 0.50 -0.26 0.25 -0.23 0.00 0.00 178.00 178.66 1x3c n THR 20 N -4.84 0.00 0.30 1.56 -2.24 -1.26 -5.02 114.28 102.78 1x3c n THR 20 Ca -0.08 -1.94 0.19 0.00 -2.27 0.00 0.00 64.05 59.95 1x3c n THR 20 Cb 0.26 1.09 1.01 0.00 -2.10 0.00 0.00 70.33 70.58 1x3c n THR 20 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1x3c h ARG 21 N 0.00 0.00 -4.19 -0.78 0.11 -2.06 -3.43 114.38 104.03 1x3c h ARG 21 Ca -0.24 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.65 1x3c h ARG 21 Cb 1.13 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.10 1x3c h ARG 21 CO 0.34 0.00 -0.37 1.52 0.10 0.00 0.00 179.97 181.56 1x3c s TYR 22 N -4.36 0.87 -0.64 4.08 1.13 -1.26 -5.12 117.35 112.05 1x3c s TYR 22 Ca -0.05 -1.13 -0.06 0.00 -1.41 0.00 0.00 57.07 54.43 1x3c s TYR 22 Cb 0.13 -0.22 0.17 0.00 -1.10 0.00 0.00 41.96 40.94 1x3c s TYR 22 CO 0.45 -0.85 0.48 -1.54 -2.51 0.00 0.00 175.55 171.59 1x3c s SER 23 N -3.13 5.57 0.13 -0.18 1.04 -1.26 -4.90 113.70 110.97 1x3c s SER 23 Ca 0.32 -2.71 -0.12 0.00 0.48 0.00 0.00 55.95 53.92 1x3c s SER 23 Cb 0.03 -1.94 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 1x3c s SER 23 CO 0.13 -0.44 1.46 1.55 0.98 0.00 0.00 173.24 176.91 1x3c h PRO 24 N 7.34 0.87 -5.30 4.02 0.13 -1.99 -3.46 132.00 133.61 1x3c h PRO 24 Ca -0.01 -0.46 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 1x3c h PRO 24 Cb 0.98 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.99 1x3c h PRO 24 CO 0.73 1.10 -0.62 -0.47 -0.23 0.00 0.00 178.00 178.51 1x3c s TYR 25 N -4.39 1.98 -0.63 1.56 6.14 -1.26 -5.11 117.35 115.63 1x3c s TYR 25 Ca -0.11 -0.89 -0.07 0.00 0.64 0.00 0.00 57.07 56.64 1x3c s TYR 25 Cb 0.10 -1.26 0.16 0.00 0.42 0.00 0.00 41.96 41.39 1x3c s TYR 25 CO 0.87 0.09 0.49 1.03 0.64 0.00 0.00 175.55 178.66 1x3c s ARG 26 N -3.85 2.76 0.03 4.97 1.81 -1.26 -4.83 118.95 118.58 1x3c s ARG 26 Ca 0.35 -2.34 0.15 0.00 -1.72 0.00 0.00 55.73 52.16 1x3c s ARG 26 Cb 0.08 -3.92 0.65 0.00 -0.45 0.00 0.00 34.95 31.30 1x3c s ARG 26 CO 0.15 -1.20 1.48 -0.35 -0.68 0.00 0.00 175.30 174.70 1x3c n PRO 27 N 3.91 0.02 -4.08 3.54 -0.04 -1.26 -4.47 135.00 132.62 1x3c n PRO 27 Ca 0.06 0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 63.47 1x3c n PRO 27 Cb 0.41 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.17 1x3c n PRO 27 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1x3c s TYR 28 N -3.04 3.17 -0.09 0.54 2.02 -1.11 -5.07 117.35 113.78 1x3c s TYR 28 Ca 0.06 -2.18 0.01 0.00 -0.37 0.00 0.00 57.07 54.59 1x3c s TYR 28 Cb 0.09 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1x3c s TYR 28 CO 0.27 -0.86 -0.09 0.50 -1.57 0.00 0.00 175.55 173.80 1x3c s ARG 29 N 1.14 1.55 0.71 -0.62 3.52 -1.26 -0.82 118.95 123.17 1x3c s ARG 29 Ca -0.06 -0.31 -0.17 0.00 -0.13 0.00 0.00 55.73 55.06 1x3c s ARG 29 Cb -0.19 -1.45 -0.12 0.00 -1.56 0.00 0.00 34.95 31.63 1x3c s ARG 29 CO -0.07 -0.13 -0.19 0.00 -0.81 0.00 0.00 175.30 174.10 1x3c n VAL 31 N -2.02 0.71 -0.86 0.00 0.24 -1.26 -4.92 118.33 110.22 1x3c n VAL 31 Ca 0.05 -0.56 -0.27 0.00 -2.04 0.00 0.00 64.34 61.52 1x3c n VAL 31 Cb 0.50 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1x3c n VAL 31 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1x3c n HIS 32 N -2.40 -1.57 -2.78 6.34 -0.00 -1.26 -4.74 115.22 108.82 1x3c n HIS 32 Ca -0.18 0.38 -0.43 0.00 -0.00 0.00 0.00 57.72 57.49 1x3c n HIS 32 Cb 0.81 -1.17 -0.00 0.00 -0.00 0.00 0.00 29.99 29.63 1x3c n HIS 32 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1x3c s GLN 33 N -0.67 4.03 0.00 1.57 0.74 -1.26 -3.61 119.66 120.46 1x3c s GLN 33 Ca 0.39 -2.29 0.00 0.00 0.05 0.00 0.00 55.36 53.51 1x3c s GLN 33 Cb -0.40 -5.28 0.00 0.00 1.10 0.00 0.00 33.01 28.43 1x3c s GLN 33 CO 0.43 -2.00 0.00 0.41 -0.55 0.00 0.00 175.29 173.58 1x3c n GLY 34 N 4.74 1.35 3.05 2.59 0.00 -1.26 -5.14 105.19 110.53 1x3c n GLY 34 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 1x3c n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3c n PHE 36 N 4.57 3.56 -4.09 0.00 3.72 -1.26 -4.81 117.46 119.15 1x3c n PHE 36 Ca -0.18 -3.15 -0.14 0.00 -0.05 0.00 0.00 57.45 53.93 1x3c n PHE 36 Cb 0.50 -1.47 -0.11 0.00 -0.94 0.00 0.00 39.48 37.46 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x3c s ALA 37 N -2.06 0.71 -0.30 4.37 0.00 -1.26 -5.08 121.76 118.14 1x3c s ALA 37 Ca 0.31 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.35 1x3c s ALA 37 Cb -0.01 0.02 0.18 0.00 0.00 0.00 0.00 23.12 23.30 1x3c s ALA 37 CO 0.03 0.01 0.89 0.00 0.00 0.00 0.00 175.76 176.69 1x3c s ALA 38 N -1.41 -2.90 0.51 0.00 0.00 -1.26 -2.12 121.76 114.58 1x3c s ALA 38 Ca -0.08 1.71 0.06 0.00 0.00 0.00 0.00 51.96 53.65 1x3c s ALA 38 Cb -0.10 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1x3c s ALA 38 CO 0.01 -1.31 0.37 -0.06 0.00 0.00 0.00 175.76 174.77 1x3c s PHE 39 N 2.83 1.93 -0.27 0.00 0.08 0.00 -4.93 117.98 117.63 1x3c s PHE 39 Ca 0.05 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.23 1x3c s PHE 39 Cb -0.11 -1.96 -0.14 0.00 -0.57 0.00 0.00 43.02 40.24 1x3c s PHE 39 CO -0.15 -0.33 -0.27 2.41 -0.10 0.00 0.00 175.22 176.78 1x3c n THR 40 N -1.66 1.53 -2.88 0.64 -1.04 -1.26 -2.75 114.28 106.86 1x3c n THR 40 Ca -0.01 -0.39 -0.41 0.00 -2.04 0.00 0.00 64.05 61.21 1x3c n THR 40 Cb 0.64 -1.82 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1x3c n THR 40 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1x3c s ILE 41 N -2.50 4.76 0.36 12.58 1.01 -1.26 -4.71 121.20 131.44 1x3c s ILE 41 Ca -0.37 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1x3c s ILE 41 Cb 0.13 -4.19 0.26 0.00 0.01 0.00 0.00 42.46 38.67 1x3c s ILE 41 CO 0.52 0.30 2.02 -0.61 0.00 0.00 0.00 174.94 177.17 1x3c h GLN 42 N 6.04 0.78 0.75 2.79 4.15 -1.93 -2.70 115.11 124.98 1x3c h GLN 42 Ca -0.43 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 58.91 1x3c h GLN 42 Cb 1.21 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 28.73 1x3c h GLN 42 CO 0.73 0.52 -0.36 0.37 -1.93 0.00 0.00 178.83 178.15 1x3c h GLN 43 N 0.80 -0.97 0.00 1.69 5.75 -1.99 -1.85 115.11 118.55 1x3c h GLN 43 Ca 0.22 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.78 1x3c h GLN 43 Cb -0.09 0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.68 1x3c h GLN 43 CO -0.05 -0.64 0.33 -2.95 -2.65 0.00 0.00 178.83 172.87 1x3c h ASN 44 N -1.13 0.00 0.76 -0.69 7.08 -1.95 0.82 115.58 120.46 1x3c h ASN 44 Ca -0.10 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.93 1x3c h ASN 44 Cb 0.77 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.98 1x3c h ASN 44 CO 0.17 0.00 -1.36 0.25 -2.08 0.00 0.00 177.43 174.41 1x3c h LEU 45 N 0.00 0.00 -0.24 6.14 5.85 -1.11 -3.30 115.31 122.64 1x3c h LEU 45 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1x3c h LEU 45 Cb 0.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1x3c h LEU 45 CO 0.00 0.67 0.13 0.40 -0.34 0.00 0.00 178.44 179.30 1x3c h ILE 46 N 0.00 1.12 -0.53 4.05 2.04 0.15 -2.81 117.51 121.53 1x3c h ILE 46 Ca -0.16 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1x3c h ILE 46 Cb 1.66 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1x3c h ILE 46 CO 0.06 0.12 0.04 -0.07 0.00 0.00 0.00 178.15 178.30 1x3c h LEU 47 N 0.27 0.83 -0.98 1.44 -0.00 -1.70 -2.85 115.31 112.32 1x3c h LEU 47 Ca 0.08 -0.20 0.30 0.00 -0.00 0.00 0.00 57.88 58.07 1x3c h LEU 47 Cb 0.08 -0.22 -0.15 0.00 -0.00 0.00 0.00 40.66 40.38 1x3c h LEU 47 CO -0.01 0.87 0.51 -0.74 -0.00 0.00 0.00 178.44 179.07 1x3c h HIS 48 N 0.81 0.84 0.00 1.13 -0.00 -1.57 1.63 115.15 117.99 1x3c h HIS 48 Ca 0.16 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 1x3c h HIS 48 Cb 0.43 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1x3c h HIS 48 CO 0.03 -0.16 -0.29 1.88 -0.00 0.00 0.00 177.93 179.39 1x3c h TYR 49 N 0.33 0.00 0.00 5.26 0.05 -1.51 0.47 116.97 121.57 1x3c h TYR 49 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.47 1x3c h TYR 49 Cb 1.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.27 1x3c h TYR 49 CO -0.05 0.29 -1.04 1.04 -1.05 0.00 0.00 178.16 177.34 1x3c n GLN 50 N -3.29 0.51 -0.09 4.88 6.02 0.47 -1.27 117.38 124.61 1x3c n GLN 50 Ca 0.01 0.07 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 1x3c n GLN 50 Cb 0.54 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 29.92 1x3c n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x3c n ALA 51 N -2.08 1.55 -0.06 -1.58 0.00 0.36 -2.99 120.51 115.70 1x3c n ALA 51 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 53.44 52.22 1x3c n ALA 51 Cb 0.52 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1x3c n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x3c h VAL 52 N 0.00 0.50 -0.19 0.00 2.07 -0.22 -3.39 116.25 115.02 1x3c h VAL 52 Ca -0.49 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1x3c h VAL 52 Cb 2.07 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1x3c h VAL 52 CO 0.01 0.17 0.00 1.41 0.02 0.00 0.00 177.57 179.18 1x3c n HIS 53 N -4.67 0.24 -2.95 1.57 8.25 -1.14 -4.98 115.22 111.54 1x3c n HIS 53 Ca -0.07 -0.26 -0.09 0.00 -0.26 0.00 0.00 57.72 57.04 1x3c n HIS 53 Cb 0.23 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1x3c n HIS 53 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1x3c n LYS 54 N 0.57 -0.98 0.00 -0.41 2.85 -0.39 -4.66 118.16 115.15 1x3c n LYS 54 Ca 0.09 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1x3c n LYS 54 Cb 0.36 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 1x3c n LYS 54 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x3c n SER 55 N -0.56 0.00 -2.45 -5.58 2.88 -1.10 -4.95 113.62 101.86 1x3c n SER 55 Ca -0.08 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.47 1x3c n SER 55 Cb 0.19 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1x3c n SER 55 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1x3c n ASP 56 N -1.94 -0.60 -4.93 -3.46 5.68 -1.26 -4.97 116.55 105.08 1x3c n ASP 56 Ca 0.00 -1.12 -0.29 0.00 -0.50 0.00 0.00 54.79 52.88 1x3c n ASP 56 Cb 0.00 0.93 -0.04 0.00 -1.14 0.00 0.00 41.12 40.87 1x3c n ASP 56 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1x3c s LEU 57 N 0.00 4.34 1.20 -2.12 1.43 -1.26 -4.76 118.68 117.50 1x3c s LEU 57 Ca 0.15 0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 1x3c s LEU 57 Cb -0.00 -2.92 0.28 0.00 0.03 0.00 0.00 46.19 43.58 1x3c s LEU 57 CO -0.00 0.12 1.11 -2.16 0.23 0.00 0.00 176.35 175.65 1x3c s PRO 58 N -2.81 -1.18 0.03 1.29 0.04 -1.26 -4.88 135.00 126.24 1x3c s PRO 58 Ca 0.35 -0.05 -0.38 0.00 0.04 0.00 0.00 61.00 60.95 1x3c s PRO 58 Cb -0.12 -1.60 -0.19 0.00 0.04 0.00 0.00 34.50 32.62 1x3c s PRO 58 CO 0.28 -3.68 1.04 0.00 0.04 0.00 0.00 177.00 174.68 1x3c n ALA 59 N -4.74 -3.32 -2.41 8.56 0.00 -1.26 -4.96 120.51 112.39 1x3c n ALA 59 Ca 0.13 0.58 -0.26 0.00 0.00 0.00 0.00 53.44 53.89 1x3c n ALA 59 Cb 0.59 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1x3c n ALA 59 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1x3c s PHE 60 N -0.06 1.92 -0.29 0.00 -0.71 -1.26 -5.15 117.98 112.43 1x3c s PHE 60 Ca 0.88 -0.77 -0.16 0.00 -1.04 0.00 0.00 56.93 55.84 1x3c s PHE 60 Cb -1.20 -1.93 0.15 0.00 -1.21 0.00 0.00 43.02 38.83 1x3c s PHE 60 CO 0.56 -0.28 0.98 -1.54 -1.34 0.00 0.00 175.22 173.59 1x3c s SER 61 N -4.18 -0.53 0.31 1.98 1.04 -1.26 -5.18 113.70 105.88 1x3c s SER 61 Ca 0.35 0.81 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1x3c s SER 61 Cb -0.01 1.34 0.02 0.00 0.10 0.00 0.00 66.02 67.48 1x3c s SER 61 CO 0.21 -0.12 0.19 0.00 0.98 0.00 0.00 173.24 174.49 1x3c n ALA 62 N 4.07 0.44 -3.02 5.32 0.00 -1.26 -5.11 120.51 120.95 1x3c n ALA 62 Ca -0.16 -1.28 -0.37 0.00 0.00 0.00 0.00 53.44 51.62 1x3c n ALA 62 Cb 0.56 0.57 -0.12 0.00 0.00 0.00 0.00 19.45 20.45 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x3c s GLU 63 N -3.25 3.43 0.28 0.00 1.03 -1.26 -5.07 118.70 113.86 1x3c s GLU 63 Ca 0.14 -0.64 -0.14 0.00 0.03 0.00 0.00 54.97 54.37 1x3c s GLU 63 Cb -0.01 -3.42 0.01 0.00 -0.80 0.00 0.00 34.13 29.91 1x3c s GLU 63 CO 0.09 -0.32 0.56 0.14 -1.33 0.00 0.00 175.26 174.40 1x3c s VAL 64 N 1.59 0.00 -1.25 1.83 -7.23 -1.26 -4.93 120.40 109.15 1x3c s VAL 64 Ca 0.05 -1.30 -0.13 0.00 -1.81 0.00 0.00 61.98 58.79 1x3c s VAL 64 Cb -0.16 -2.29 0.13 0.00 0.56 0.00 0.00 36.38 34.62 1x3c s VAL 64 CO 0.04 0.00 0.32 -0.62 -0.31 0.00 0.00 175.10 174.53 1x3c n GLU 65 N -0.44 -0.84 -3.63 4.82 1.02 -1.26 -4.85 120.64 115.47 1x3c n GLU 65 Ca -0.02 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 1x3c n GLU 65 Cb 0.61 -3.08 -0.13 0.00 -0.02 0.00 0.00 31.44 28.83 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1x3c s GLU 66 N -5.47 0.17 -0.22 3.49 2.02 -1.26 -5.13 118.70 112.30 1x3c s GLU 66 Ca 0.45 0.70 -0.08 0.00 0.02 0.00 0.00 54.97 56.06 1x3c s GLU 66 Cb -0.26 -0.16 0.09 0.00 0.10 0.00 0.00 34.13 33.91 1x3c s GLU 66 CO 0.71 -0.34 0.47 -1.83 0.02 0.00 0.00 175.26 174.28 1x3c s GLU 67 N 2.43 0.39 0.00 1.61 -1.05 -1.26 -5.03 118.70 115.79 1x3c s GLU 67 Ca 0.02 1.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.94 1x3c s GLU 67 Cb -0.13 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1x3c s GLU 67 CO -0.09 -0.23 0.00 -1.13 0.95 0.00 0.00 175.26 174.75 1x3c n SER 68 N 5.27 4.04 0.00 0.83 3.41 -1.26 -5.11 113.62 120.81 1x3c n SER 68 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1x3c n SER 68 Cb 0.50 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1x3c n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3c n GLY 69 N 3.07 0.51 3.77 5.00 0.00 -1.26 -4.53 105.19 111.74 1x3c n GLY 69 Ca 0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1x3c n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x3c s PRO 70 N 0.00 4.06 -0.40 1.61 0.04 -1.26 -5.02 135.00 134.04 1x3c s PRO 70 Ca 0.00 1.90 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 1x3c s PRO 70 Cb 0.00 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.90 1x3c s PRO 70 CO 0.00 -0.33 0.22 -1.12 0.04 0.00 0.00 177.00 175.80 1x3c s SER 71 N -1.05 5.55 -0.18 6.66 0.01 -1.26 -5.05 113.70 118.38 1x3c s SER 71 Ca 0.57 -1.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.41 1x3c s SER 71 Cb -0.32 -1.96 0.05 0.00 0.21 0.00 0.00 66.02 64.01 1x3c s SER 71 CO 0.41 -0.47 0.00 -0.94 0.41 0.00 0.00 173.24 172.64 1x3c s SER 72 N 1.88 2.84 0.00 2.44 1.04 -1.26 -5.32 113.70 115.33 1x3c s SER 72 Ca 0.02 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1x3c s SER 72 Cb -0.22 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1x3c s SER 72 CO 0.02 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.59