#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 -0.24 -0.01 1.61 0.15 -1.26 -5.16 113.70 108.79 1x3c s SER 2 Ca 0.00 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.16 1x3c s SER 2 Cb 0.00 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1x3c s SER 2 CO 0.00 -0.09 -0.14 -0.44 1.20 0.00 0.00 173.24 173.77 1x3c s SER 3 N 0.24 4.05 0.00 5.45 0.01 -1.26 -5.12 113.70 117.07 1x3c s SER 3 Ca -0.01 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1x3c s SER 3 Cb -0.03 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1x3c s SER 3 CO -0.01 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1x3c n GLY 4 N 1.90 3.10 3.52 3.44 0.00 -1.26 -5.16 105.19 110.73 1x3c n GLY 4 Ca -0.16 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 0.50 -0.65 0.31 1.61 0.15 -1.26 -5.18 113.70 109.18 1x3c s SER 5 Ca 0.00 0.95 0.06 0.00 0.70 0.00 0.00 55.95 57.65 1x3c s SER 5 Cb 0.00 1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 65.87 1x3c s SER 5 CO 0.00 -0.14 0.24 -0.55 1.20 0.00 0.00 173.24 173.99 1x3c s SER 6 N 2.12 1.49 -0.29 5.45 0.15 -1.26 -5.17 113.70 116.19 1x3c s SER 6 Ca -0.05 -1.69 -0.14 0.00 0.70 0.00 0.00 55.95 54.77 1x3c s SER 6 Cb -0.06 0.52 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 1x3c s SER 6 CO -0.17 -1.01 0.76 -0.83 1.20 0.00 0.00 173.24 173.19 1x3c s GLY 7 N -3.35 -0.51 -0.52 9.45 0.00 -1.26 -5.11 107.32 106.02 1x3c s GLY 7 Ca 0.39 2.60 -0.28 0.00 0.00 0.00 0.00 44.72 47.43 1x3c s GLY 7 CO 0.24 2.77 1.39 -1.60 0.00 0.00 0.00 173.10 175.90 1x3c s ARG 8 N 2.12 3.40 0.04 2.90 6.06 -1.26 -4.88 118.95 127.32 1x3c s ARG 8 Ca -0.08 0.58 -0.20 0.00 -2.50 0.00 0.00 55.73 53.53 1x3c s ARG 8 Cb -0.07 -4.09 -0.14 0.00 0.06 0.00 0.00 34.95 30.71 1x3c s ARG 8 CO -0.19 -1.81 1.37 -0.22 -2.50 0.00 0.00 175.30 171.95 1x3c h LYS 9 N 10.85 0.34 -3.13 5.12 1.63 -2.07 -3.44 116.57 125.88 1x3c h LYS 9 Ca -0.27 -0.17 -0.28 0.00 -0.85 0.00 0.00 60.65 59.09 1x3c h LYS 9 Cb 1.09 -0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 32.38 1x3c h LYS 9 CO 1.15 0.70 -0.62 0.15 -3.45 0.00 0.00 179.45 177.38 1x3c s LYS 10 N -4.41 0.05 0.86 1.90 3.01 -1.26 -5.16 119.74 114.72 1x3c s LYS 10 Ca -0.14 0.52 -0.14 0.00 -1.01 0.00 0.00 55.97 55.19 1x3c s LYS 10 Cb 0.05 -0.25 0.21 0.00 -1.01 0.00 0.00 37.83 36.84 1x3c s LYS 10 CO 0.75 -0.27 0.76 -0.35 0.51 0.00 0.00 175.35 176.75 1x3c n PRO 11 N 5.04 -2.51 -1.00 -1.68 -0.04 -1.26 -4.94 135.00 128.61 1x3c n PRO 11 Ca -0.10 -1.22 -0.33 0.00 -0.04 0.00 0.00 63.50 61.81 1x3c n PRO 11 Cb 0.50 -1.15 0.02 0.00 -0.04 0.00 0.00 33.50 32.84 1x3c n PRO 11 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1x3c n VAL 12 N -4.16 0.00 -0.20 0.52 3.14 -1.26 -4.75 118.33 111.63 1x3c n VAL 12 Ca 0.11 -0.44 -0.05 0.00 -2.96 0.00 0.00 64.34 61.00 1x3c n VAL 12 Cb 0.41 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.14 1x3c n VAL 12 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1x3c n SER 13 N 2.53 -0.50 -3.72 6.55 3.41 -1.26 -4.70 113.62 115.93 1x3c n SER 13 Ca 0.03 1.08 -0.21 0.00 -0.26 0.00 0.00 58.87 59.51 1x3c n SER 13 Cb 0.44 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1x3c n SER 13 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1x3c n GLN 14 N -4.15 -0.91 -4.02 4.33 7.27 -1.26 -4.89 117.38 113.76 1x3c n GLN 14 Ca 0.01 0.03 -0.16 0.00 0.07 0.00 0.00 57.00 56.95 1x3c n GLN 14 Cb 0.12 -2.20 -0.15 0.00 2.41 0.00 0.00 30.24 30.42 1x3c n GLN 14 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1x3c s SER 15 N -3.92 0.45 0.99 1.69 0.15 -1.26 -5.14 113.70 106.66 1x3c s SER 15 Ca 0.04 -0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.48 1x3c s SER 15 Cb -0.02 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1x3c s SER 15 CO 0.65 -0.02 -0.08 0.18 1.20 0.00 0.00 173.24 175.17 1x3c n LEU 16 N 3.55 -2.20 0.17 3.45 4.77 -1.26 -4.76 117.00 120.72 1x3c n LEU 16 Ca -0.20 0.22 0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1x3c n LEU 16 Cb 0.55 -1.02 0.77 0.00 -2.33 0.00 0.00 43.42 41.38 1x3c n LEU 16 CO 0.24 -4.16 1.16 1.05 -1.33 0.00 0.00 177.39 174.35 1x3c h GLU 17 N -1.44 0.00 -6.45 3.23 9.09 -2.03 -3.40 114.58 113.57 1x3c h GLU 17 Ca -0.45 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.43 1x3c h GLU 17 Cb 1.30 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.38 1x3c h GLU 17 CO 0.31 0.00 0.31 -0.06 0.05 0.00 0.00 179.01 179.62 1x3c s PHE 18 N -4.45 3.75 -0.02 2.06 0.40 -1.26 -4.98 117.98 113.48 1x3c s PHE 18 Ca -0.04 1.69 -0.25 0.00 -0.60 0.00 0.00 56.93 57.73 1x3c s PHE 18 Cb 0.13 -3.02 -0.19 0.00 0.51 0.00 0.00 43.02 40.46 1x3c s PHE 18 CO 0.46 0.16 1.19 -1.00 0.70 0.00 0.00 175.22 176.73 1x3c h PRO 19 N 5.94 -0.12 -3.89 0.24 0.13 -1.97 -3.48 132.00 128.85 1x3c h PRO 19 Ca -0.43 0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1x3c h PRO 19 Cb 1.21 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 1x3c h PRO 19 CO 0.73 0.33 -0.23 0.95 -0.23 0.00 0.00 178.00 179.54 1x3c s THR 20 N -4.20 0.00 0.00 1.56 -4.23 -1.26 -5.06 115.64 102.45 1x3c s THR 20 Ca -0.15 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1x3c s THR 20 Cb 0.02 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1x3c s THR 20 CO 0.61 0.00 0.00 -2.11 -0.54 0.00 0.00 174.62 172.58 1x3c n ARG 21 N -0.37 2.24 -4.01 3.99 -4.01 -1.26 -4.99 116.66 108.25 1x3c n ARG 21 Ca -0.01 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.49 1x3c n ARG 21 Cb 0.63 -0.81 -0.15 0.00 -3.04 0.00 0.00 32.46 29.08 1x3c n ARG 21 CO 0.00 0.00 0.00 1.52 -3.04 0.00 0.00 177.63 176.11 1x3c s TYR 22 N -1.27 2.89 -0.39 2.89 1.13 -1.26 -5.07 117.35 116.28 1x3c s TYR 22 Ca 0.00 -2.11 -0.32 0.00 -1.41 0.00 0.00 57.07 53.23 1x3c s TYR 22 Cb 0.00 -1.82 -0.10 0.00 -1.10 0.00 0.00 41.96 38.93 1x3c s TYR 22 CO 0.00 -0.84 2.27 0.43 -2.51 0.00 0.00 175.55 174.90 1x3c n SER 23 N 4.53 2.26 0.00 -0.18 7.64 -1.26 -4.78 113.62 121.84 1x3c n SER 23 Ca -0.12 0.21 0.07 0.00 1.01 0.00 0.00 58.87 60.04 1x3c n SER 23 Cb 0.43 -1.35 0.42 0.00 -1.01 0.00 0.00 64.21 62.70 1x3c n SER 23 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1x3c n PRO 24 N 8.46 0.49 -4.11 1.43 -0.04 -1.26 -4.71 135.00 135.25 1x3c n PRO 24 Ca 0.40 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.57 1x3c n PRO 24 Cb 0.31 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1x3c n PRO 24 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1x3c s TYR 25 N -2.00 3.03 -0.28 0.54 5.04 -1.26 -5.11 117.35 117.31 1x3c s TYR 25 Ca 0.21 -0.02 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1x3c s TYR 25 Cb 0.10 -1.53 0.17 0.00 0.35 0.00 0.00 41.96 41.05 1x3c s TYR 25 CO 0.16 0.50 0.51 -0.98 -1.34 0.00 0.00 175.55 174.40 1x3c s ARG 26 N -2.52 0.49 0.33 4.97 3.03 -1.26 -4.61 118.95 119.38 1x3c s ARG 26 Ca 0.27 0.60 0.26 0.00 2.03 0.00 0.00 55.73 58.89 1x3c s ARG 26 Cb -0.11 0.08 1.08 0.00 -1.03 0.00 0.00 34.95 34.97 1x3c s ARG 26 CO 0.20 -0.83 1.78 -1.00 -1.13 0.00 0.00 175.30 174.31 1x3c h PRO 27 N 8.07 0.00 -5.28 3.89 0.13 -1.82 -3.42 132.00 133.57 1x3c h PRO 27 Ca -0.13 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.39 1x3c h PRO 27 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1x3c h PRO 27 CO 0.23 0.00 -0.27 0.71 -0.23 0.00 0.00 178.00 178.44 1x3c s TYR 28 N -3.41 3.33 -0.13 1.56 2.02 -1.20 -5.06 117.35 114.46 1x3c s TYR 28 Ca 0.03 0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 57.20 1x3c s TYR 28 Cb 0.09 -2.49 0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1x3c s TYR 28 CO 0.42 -0.05 0.01 0.50 -1.57 0.00 0.00 175.55 174.85 1x3c s ARG 29 N 1.47 0.75 0.34 -0.62 6.06 -1.26 -1.95 118.95 123.73 1x3c s ARG 29 Ca 0.16 -0.16 -0.19 0.00 -2.50 0.00 0.00 55.73 53.03 1x3c s ARG 29 Cb -0.15 -1.53 -0.14 0.00 0.06 0.00 0.00 34.95 33.20 1x3c s ARG 29 CO 0.08 -0.44 0.11 0.00 -2.50 0.00 0.00 175.30 172.55 1x3c n VAL 31 N -0.81 1.64 -1.27 0.00 0.24 -1.26 -4.90 118.33 111.97 1x3c n VAL 31 Ca 0.10 -0.75 -0.49 0.00 -2.04 0.00 0.00 64.34 61.17 1x3c n VAL 31 Cb 0.34 -1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 31.43 1x3c n VAL 31 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1x3c n HIS 32 N -3.16 0.39 -2.59 6.34 8.25 -1.26 -4.78 115.22 118.40 1x3c n HIS 32 Ca -0.24 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.70 1x3c n HIS 32 Cb 1.06 -1.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.37 1x3c n HIS 32 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1x3c s GLN 33 N -0.14 3.44 0.00 -0.41 0.74 -1.26 -3.61 119.66 118.42 1x3c s GLN 33 Ca 0.74 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1x3c s GLN 33 Cb -1.04 -4.90 0.00 0.00 1.10 0.00 0.00 33.01 28.18 1x3c s GLN 33 CO 0.49 -2.14 0.00 0.41 -0.55 0.00 0.00 175.29 173.49 1x3c n GLY 34 N 6.24 0.96 0.87 2.59 0.00 -1.26 -5.07 105.19 109.52 1x3c n GLY 34 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.36 -1.81 -3.90 0.00 3.72 -1.26 -5.01 117.46 105.83 1x3c n PHE 36 Ca -0.07 0.68 -0.30 0.00 -0.05 0.00 0.00 57.45 57.71 1x3c n PHE 36 Cb 0.41 -3.92 -0.15 0.00 -0.94 0.00 0.00 39.48 34.87 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 -3.23 2.12 -0.16 4.37 0.00 -1.26 -5.08 121.76 118.52 1x3c s ALA 37 Ca 0.25 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 1x3c s ALA 37 Cb -0.11 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 1x3c s ALA 37 CO 0.50 -1.50 -0.11 0.00 0.00 0.00 0.00 175.76 174.65 1x3c s ALA 38 N 1.31 2.68 0.20 0.00 0.00 -1.26 -2.13 121.76 122.57 1x3c s ALA 38 Ca 0.05 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.12 1x3c s ALA 38 Cb -0.18 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1x3c s ALA 38 CO -0.13 0.06 0.03 -0.06 0.00 0.00 0.00 175.76 175.65 1x3c s PHE 39 N 0.66 2.85 -0.16 0.00 0.40 -0.82 -4.99 117.98 115.92 1x3c s PHE 39 Ca -0.06 -0.15 -0.23 0.00 -0.60 0.00 0.00 56.93 55.90 1x3c s PHE 39 Cb -0.15 -1.34 -0.23 0.00 0.51 0.00 0.00 43.02 41.81 1x3c s PHE 39 CO 0.02 0.54 0.46 1.15 0.70 0.00 0.00 175.22 178.10 1x3c h THR 40 N 2.20 1.22 -3.65 0.64 2.02 -1.83 -3.18 112.91 110.33 1x3c h THR 40 Ca -0.47 -2.28 -0.50 0.00 0.77 0.00 0.00 66.41 63.93 1x3c h THR 40 Cb 1.22 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 70.30 1x3c h THR 40 CO 0.59 0.49 0.05 -0.63 0.37 0.00 0.00 175.52 176.39 1x3c s ILE 41 N -2.34 4.76 0.09 3.11 1.01 -1.26 -4.62 121.20 121.95 1x3c s ILE 41 Ca -0.24 0.77 -0.13 0.00 0.00 0.00 0.00 60.65 61.05 1x3c s ILE 41 Cb 0.03 -3.64 -0.18 0.00 0.01 0.00 0.00 42.46 38.68 1x3c s ILE 41 CO 0.66 -0.23 1.27 -0.61 0.00 0.00 0.00 174.94 176.03 1x3c h GLN 42 N 2.11 0.78 0.76 2.79 4.15 -1.98 -2.95 115.11 120.77 1x3c h GLN 42 Ca -0.48 -0.69 -0.04 0.00 0.77 0.00 0.00 58.65 58.22 1x3c h GLN 42 Cb 1.18 0.16 0.01 0.00 0.21 0.00 0.00 27.48 29.03 1x3c h GLN 42 CO 0.66 1.28 -0.37 0.37 -1.93 0.00 0.00 178.83 178.84 1x3c h GLN 43 N 0.51 -0.99 0.00 1.69 5.75 -2.01 -2.12 115.11 117.93 1x3c h GLN 43 Ca -0.08 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1x3c h GLN 43 Cb 1.50 0.22 0.00 0.00 1.07 0.00 0.00 27.48 30.27 1x3c h GLN 43 CO 0.18 -0.64 0.00 0.09 -2.65 0.00 0.00 178.83 175.80 1x3c n ASN 44 N -5.50 0.00 0.10 -0.69 4.13 -1.25 -0.43 115.26 111.62 1x3c n ASN 44 Ca -0.14 0.48 0.09 0.00 1.68 0.00 0.00 54.58 56.69 1x3c n ASN 44 Cb 0.42 -0.48 -0.01 0.00 -1.54 0.00 0.00 39.78 38.17 1x3c n ASN 44 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1x3c h LEU 45 N 0.00 0.00 0.44 3.41 5.85 -1.21 -3.34 115.31 120.47 1x3c h LEU 45 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1x3c h LEU 45 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1x3c h LEU 45 CO 0.00 0.10 -0.21 0.40 -0.34 0.00 0.00 178.44 178.39 1x3c h ILE 46 N 0.00 0.00 -1.01 4.05 2.04 -0.33 -3.27 117.51 118.99 1x3c h ILE 46 Ca -0.03 -0.51 0.24 0.00 1.00 0.00 0.00 64.86 65.56 1x3c h ILE 46 Cb 1.10 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.07 1x3c h ILE 46 CO 0.01 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.70 1x3c h LEU 47 N -1.10 0.65 -0.96 1.44 -0.00 -1.75 -0.44 115.31 113.15 1x3c h LEU 47 Ca -0.06 0.12 0.28 0.00 -0.00 0.00 0.00 57.88 58.21 1x3c h LEU 47 Cb 0.45 0.01 -0.17 0.00 -0.00 0.00 0.00 40.66 40.95 1x3c h LEU 47 CO 0.10 0.14 0.13 -0.74 -0.00 0.00 0.00 178.44 178.06 1x3c h HIS 48 N 0.58 0.13 -0.21 1.13 -0.00 -1.67 1.32 115.15 116.43 1x3c h HIS 48 Ca 0.62 0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.93 1x3c h HIS 48 Cb 1.21 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.71 1x3c h HIS 48 CO -0.01 -0.39 -0.40 1.88 -0.00 0.00 0.00 177.93 179.01 1x3c h TYR 49 N 0.05 0.58 0.00 5.26 -1.99 -1.20 0.22 116.97 119.89 1x3c h TYR 49 Ca 0.61 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 61.18 1x3c h TYR 49 Cb 1.31 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1x3c h TYR 49 CO -0.39 0.82 0.00 1.04 -0.00 0.00 0.00 178.16 179.63 1x3c n GLN 50 N -4.03 0.25 -0.09 4.88 6.02 0.39 -0.24 117.38 124.55 1x3c n GLN 50 Ca -0.02 0.23 -0.10 0.00 -0.01 0.00 0.00 57.00 57.10 1x3c n GLN 50 Cb 0.51 -1.80 -0.16 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.78 1.49 -0.11 -1.58 0.00 0.25 -3.52 120.51 115.27 1x3c n ALA 51 Ca 0.05 -1.27 -0.19 0.00 0.00 0.00 0.00 53.44 52.03 1x3c n ALA 51 Cb 0.41 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 1x3c n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x3c n VAL 52 N -2.81 1.51 -0.52 0.00 0.31 0.73 -4.52 118.33 113.02 1x3c n VAL 52 Ca -0.32 -0.12 0.07 0.00 -0.01 0.00 0.00 64.34 63.96 1x3c n VAL 52 Cb 1.14 -2.12 0.34 0.00 -0.91 0.00 0.00 33.84 32.29 1x3c n VAL 52 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1x3c n HIS 53 N -4.36 1.60 -3.65 3.52 8.25 0.67 -4.92 115.22 116.32 1x3c n HIS 53 Ca -0.34 -0.59 -0.30 0.00 -0.26 0.00 0.00 57.72 56.23 1x3c n HIS 53 Cb 0.69 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 31.40 1x3c n HIS 53 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1x3c n LYS 54 N 0.78 -0.80 -3.80 -0.41 4.01 0.08 -4.81 118.16 113.22 1x3c n LYS 54 Ca 0.24 0.10 -0.09 0.00 -0.51 0.00 0.00 58.31 58.05 1x3c n LYS 54 Cb 0.95 -3.30 -0.03 0.00 -0.51 0.00 0.00 35.03 32.14 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x3c s SER 55 N -2.63 -0.27 0.68 4.39 0.01 -0.47 -4.87 113.70 110.54 1x3c s SER 55 Ca 0.57 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 57.24 1x3c s SER 55 Cb -0.33 0.65 0.07 0.00 0.21 0.00 0.00 66.02 66.61 1x3c s SER 55 CO 0.72 -1.19 0.97 -0.62 0.41 0.00 0.00 173.24 173.53 1x3c s ASP 56 N -2.90 4.80 0.69 2.44 2.15 -1.26 -1.42 116.67 121.16 1x3c s ASP 56 Ca 0.11 0.24 -0.17 0.00 0.43 0.00 0.00 52.55 53.16 1x3c s ASP 56 Cb -0.03 -0.89 -0.05 0.00 -0.30 0.00 0.00 42.92 41.65 1x3c s ASP 56 CO 0.02 -1.57 0.53 0.18 -0.17 0.00 0.00 175.17 174.16 1x3c n LEU 57 N -2.81 0.85 -0.11 -1.34 7.99 -1.26 -4.91 117.00 115.41 1x3c n LEU 57 Ca 0.09 0.62 -0.13 0.00 -0.01 0.00 0.00 56.01 56.58 1x3c n LEU 57 Cb 0.60 -1.21 -0.03 0.00 -0.11 0.00 0.00 43.42 42.67 1x3c n LEU 57 CO 0.49 -3.09 0.56 1.55 -1.51 0.00 0.00 177.39 175.39 1x3c h PRO 58 N -0.23 0.85 -4.17 3.23 0.13 -2.01 -3.46 132.00 126.34 1x3c h PRO 58 Ca -0.46 -0.44 -0.22 0.00 -0.87 0.00 0.00 66.00 64.01 1x3c h PRO 58 Cb 1.36 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 1x3c h PRO 58 CO 0.44 1.08 -0.30 0.00 -0.23 0.00 0.00 178.00 178.99 1x3c s ALA 59 N -4.39 0.67 -1.52 -0.56 0.00 -1.26 -4.92 121.76 109.79 1x3c s ALA 59 Ca -0.12 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 1x3c s ALA 59 Cb 0.10 1.22 0.08 0.00 0.00 0.00 0.00 23.12 24.51 1x3c s ALA 59 CO 0.86 -0.75 0.85 1.19 0.00 0.00 0.00 175.76 177.91 1x3c n PHE 60 N -0.45 -2.08 -3.82 0.00 3.72 -1.26 -4.93 117.46 108.65 1x3c n PHE 60 Ca 0.01 0.86 -0.32 0.00 -0.05 0.00 0.00 57.45 57.95 1x3c n PHE 60 Cb 0.63 -3.85 -0.11 0.00 -0.94 0.00 0.00 39.48 35.21 1x3c n PHE 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1x3c s SER 61 N -3.58 4.99 1.00 4.37 1.04 -1.26 -5.07 113.70 115.19 1x3c s SER 61 Ca 0.51 -3.30 -0.12 0.00 0.48 0.00 0.00 55.95 53.52 1x3c s SER 61 Cb -0.26 -1.75 0.19 0.00 0.10 0.00 0.00 66.02 64.30 1x3c s SER 61 CO 0.85 -0.23 0.42 0.00 0.98 0.00 0.00 173.24 175.26 1x3c n ALA 62 N 2.80 -2.55 -3.43 5.32 0.00 -1.26 -4.97 120.51 116.42 1x3c n ALA 62 Ca 0.12 -0.74 -0.35 0.00 0.00 0.00 0.00 53.44 52.47 1x3c n ALA 62 Cb 0.35 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.44 3.42 -0.27 0.00 -1.05 -1.26 -5.06 118.70 111.03 1x3c s GLU 63 Ca 0.32 -0.60 -0.02 0.00 -0.15 0.00 0.00 54.97 54.52 1x3c s GLU 63 Cb -0.06 -3.06 0.16 0.00 -0.44 0.00 0.00 34.13 30.74 1x3c s GLU 63 CO 0.27 -0.20 0.50 0.14 0.95 0.00 0.00 175.26 176.93 1x3c s VAL 64 N 1.50 -0.82 -0.54 1.83 -7.23 -1.26 -5.03 120.40 108.85 1x3c s VAL 64 Ca 0.06 -0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 1x3c s VAL 64 Cb -0.14 -0.91 0.44 0.00 0.56 0.00 0.00 36.38 36.33 1x3c s VAL 64 CO -0.02 -0.05 1.69 -0.62 -0.31 0.00 0.00 175.10 175.79 1x3c n GLU 65 N 5.40 3.06 -2.19 4.82 -0.58 -1.26 -4.69 120.64 125.20 1x3c n GLU 65 Ca -0.02 -3.68 -0.31 0.00 -0.42 0.00 0.00 57.16 52.73 1x3c n GLU 65 Cb 0.51 -2.28 0.02 0.00 -0.57 0.00 0.00 31.44 29.11 1x3c n GLU 65 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1x3c n GLU 66 N -0.80 3.22 -3.65 3.49 -0.58 -1.26 -4.95 120.64 116.11 1x3c n GLU 66 Ca 0.54 -4.11 -0.01 0.00 -0.42 0.00 0.00 57.16 53.16 1x3c n GLU 66 Cb 0.74 -2.26 -0.06 0.00 -0.57 0.00 0.00 31.44 29.28 1x3c n GLU 66 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1x3c s GLU 67 N -3.72 0.28 -0.17 3.49 4.04 -1.26 -5.16 118.70 116.21 1x3c s GLU 67 Ca 0.51 0.49 -0.05 0.00 0.04 0.00 0.00 54.97 55.96 1x3c s GLU 67 Cb 0.42 0.06 0.08 0.00 0.02 0.00 0.00 34.13 34.71 1x3c s GLU 67 CO -0.22 -0.06 0.29 0.45 -1.84 0.00 0.00 175.26 173.89 1x3c s SER 68 N 1.26 0.45 0.00 0.83 0.15 -1.26 -5.09 113.70 110.05 1x3c s SER 68 Ca -0.09 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1x3c s SER 68 Cb -0.03 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1x3c s SER 68 CO -0.13 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1x3c n GLY 69 N 5.35 -0.10 3.65 9.45 0.00 -1.26 -4.98 105.19 117.31 1x3c n GLY 69 Ca -0.06 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.21 4.09 -0.00 1.61 0.04 -1.26 -4.91 135.00 131.36 1x3c s PRO 70 Ca 0.00 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1x3c s PRO 70 Cb 0.00 -3.94 -0.29 0.00 0.04 0.00 0.00 34.50 30.31 1x3c s PRO 70 CO 0.00 -0.93 1.02 0.66 0.04 0.00 0.00 177.00 177.79 1x3c h SER 71 N 9.51 0.62 -5.25 6.66 4.64 -2.04 -3.48 113.55 124.21 1x3c h SER 71 Ca -0.35 -0.86 -0.07 0.00 -0.47 0.00 0.00 61.79 60.04 1x3c h SER 71 Cb 1.15 -0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 62.94 1x3c h SER 71 CO 0.97 1.42 -0.17 -0.55 -0.87 0.00 0.00 176.83 177.63 1x3c s SER 72 N -7.06 -0.07 0.00 4.97 0.15 -1.26 -5.29 113.70 105.15 1x3c s SER 72 Ca -0.12 -0.90 0.17 0.00 0.70 0.00 0.00 55.95 55.81 1x3c s SER 72 Cb 0.03 0.54 0.14 0.00 -1.71 0.00 0.00 66.02 65.02 1x3c s SER 72 CO 0.86 -1.07 1.05 0.61 1.20 0.00 0.00 173.24 175.89