#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 -0.03 0.26 1.61 0.01 -1.26 -5.18 113.70 109.11 1x3c s SER 2 Ca 0.00 -0.90 -0.21 0.00 1.31 0.00 0.00 55.95 56.15 1x3c s SER 2 Cb 0.00 0.51 0.04 0.00 0.21 0.00 0.00 66.02 66.78 1x3c s SER 2 CO 0.00 -1.00 0.81 -0.44 0.41 0.00 0.00 173.24 173.02 1x3c s SER 3 N -3.00 -0.17 0.00 2.44 0.01 -1.26 -5.19 113.70 106.54 1x3c s SER 3 Ca 0.21 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1x3c s SER 3 Cb 0.02 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1x3c s SER 3 CO 0.05 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 173.02 1x3c n GLY 4 N -0.49 3.54 2.83 3.44 0.00 -1.26 -5.16 105.19 108.09 1x3c n GLY 4 Ca -0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1x3c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3c s SER 5 N 0.00 0.16 -0.25 1.61 0.01 -1.26 -5.05 113.70 108.91 1x3c s SER 5 Ca 0.00 0.00 -0.16 0.00 1.31 0.00 0.00 55.95 57.10 1x3c s SER 5 Cb 0.00 -0.08 -0.13 0.00 0.21 0.00 0.00 66.02 66.02 1x3c s SER 5 CO 0.00 -0.07 -0.21 -1.54 0.41 0.00 0.00 173.24 171.83 1x3c n SER 6 N 3.71 1.93 -0.74 2.44 3.41 -1.26 -5.12 113.62 118.00 1x3c n SER 6 Ca -0.21 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1x3c n SER 6 Cb 0.54 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1x3c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x3c n GLY 7 N 1.31 -3.54 3.31 5.00 0.00 -1.26 -5.07 105.19 104.95 1x3c n GLY 7 Ca -0.46 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 1x3c n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3c s ARG 8 N -4.76 1.39 0.12 1.61 1.81 -1.26 -5.18 118.95 112.68 1x3c s ARG 8 Ca 0.00 -1.74 -0.13 0.00 -1.72 0.00 0.00 55.73 52.14 1x3c s ARG 8 Cb 0.00 -0.28 0.02 0.00 -0.45 0.00 0.00 34.95 34.23 1x3c s ARG 8 CO 0.00 -0.27 0.32 0.15 -0.68 0.00 0.00 175.30 174.82 1x3c s LYS 9 N -4.02 1.01 0.06 3.54 1.02 -1.26 -5.18 119.74 114.92 1x3c s LYS 9 Ca 0.36 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.52 1x3c s LYS 9 Cb 0.08 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.77 1x3c s LYS 9 CO 0.13 -0.37 -0.07 -1.59 -0.92 0.00 0.00 175.35 172.52 1x3c s LYS 10 N -3.84 0.62 0.36 1.68 0.00 -1.26 -5.14 119.74 112.15 1x3c s LYS 10 Ca 0.05 -0.97 -0.27 0.00 0.00 0.00 0.00 55.97 54.79 1x3c s LYS 10 Cb 0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 37.83 37.55 1x3c s LYS 10 CO -0.10 0.01 1.21 -1.25 0.00 0.00 0.00 175.35 175.22 1x3c s PRO 11 N -2.44 4.26 0.14 1.78 0.04 -1.26 -5.02 135.00 132.50 1x3c s PRO 11 Ca -0.02 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 1x3c s PRO 11 Cb -0.04 -2.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.52 1x3c s PRO 11 CO -0.02 -0.19 0.69 0.08 0.04 0.00 0.00 177.00 177.61 1x3c s VAL 12 N -1.27 4.53 0.02 -0.36 1.01 -1.26 -5.01 120.40 118.06 1x3c s VAL 12 Ca 0.52 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 1x3c s VAL 12 Cb -0.34 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 1x3c s VAL 12 CO 0.44 0.49 1.65 -0.55 0.00 0.00 0.00 175.10 177.12 1x3c s SER 13 N -1.22 6.64 -0.30 3.32 0.15 -1.26 -4.96 113.70 116.08 1x3c s SER 13 Ca 0.34 2.37 -0.16 0.00 0.70 0.00 0.00 55.95 59.20 1x3c s SER 13 Cb -0.21 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.72 1x3c s SER 13 CO 0.23 -0.89 1.08 -1.58 1.20 0.00 0.00 173.24 173.28 1x3c s GLN 14 N 3.21 0.22 0.36 5.44 2.00 -1.26 -5.18 119.66 124.46 1x3c s GLN 14 Ca 0.74 0.51 0.04 0.00 -2.00 0.00 0.00 55.36 54.64 1x3c s GLN 14 Cb -0.37 0.24 -0.01 0.00 0.80 0.00 0.00 33.01 33.68 1x3c s GLN 14 CO 0.31 -0.07 0.53 -1.54 -0.50 0.00 0.00 175.29 174.03 1x3c s SER 15 N 2.02 5.98 0.24 6.67 1.04 -1.26 -5.13 113.70 123.26 1x3c s SER 15 Ca -0.04 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.49 1x3c s SER 15 Cb -0.04 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.58 1x3c s SER 15 CO -0.16 -0.48 -0.06 -0.76 0.98 0.00 0.00 173.24 172.77 1x3c s LEU 16 N -4.29 2.39 0.27 2.42 2.01 -1.26 -5.04 118.68 115.18 1x3c s LEU 16 Ca 0.45 -1.16 -0.01 0.00 0.01 0.00 0.00 54.13 53.42 1x3c s LEU 16 Cb -0.10 -0.48 0.46 0.00 0.01 0.00 0.00 46.19 46.09 1x3c s LEU 16 CO 0.33 -0.38 1.85 -0.08 1.01 0.00 0.00 176.35 179.09 1x3c h GLU 17 N 2.44 1.02 -6.62 1.70 4.81 -2.01 -3.41 114.58 112.52 1x3c h GLU 17 Ca -0.39 -0.06 -0.51 0.00 -0.13 0.00 0.00 59.36 58.27 1x3c h GLU 17 Cb 1.22 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1x3c h GLU 17 CO 0.65 0.68 0.16 -0.06 -0.73 0.00 0.00 179.01 179.71 1x3c s PHE 18 N -6.01 3.71 -0.02 0.92 0.08 -1.26 -5.00 117.98 110.40 1x3c s PHE 18 Ca -0.12 1.51 -0.25 0.00 0.12 0.00 0.00 56.93 58.18 1x3c s PHE 18 Cb 0.21 -2.70 -0.20 0.00 -0.57 0.00 0.00 43.02 39.76 1x3c s PHE 18 CO 0.81 0.35 1.27 -1.00 -0.10 0.00 0.00 175.22 176.55 1x3c h PRO 19 N 3.56 0.03 -5.04 0.24 0.13 -1.98 -3.47 132.00 125.47 1x3c h PRO 19 Ca -0.48 -0.02 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1x3c h PRO 19 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1x3c h PRO 19 CO 0.65 0.51 -0.51 0.95 -0.23 0.00 0.00 178.00 179.38 1x3c s THR 20 N -4.26 0.60 -0.86 1.56 -4.23 -1.26 -5.03 115.64 102.16 1x3c s THR 20 Ca -0.16 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.59 1x3c s THR 20 Cb 0.02 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 1x3c s THR 20 CO 0.68 0.00 1.26 -2.11 -0.54 0.00 0.00 174.62 173.91 1x3c n ARG 21 N -0.94 0.10 -4.14 3.99 -4.01 -1.26 -4.91 116.66 105.49 1x3c n ARG 21 Ca -0.07 0.01 -0.14 0.00 -1.04 0.00 0.00 57.85 56.61 1x3c n ARG 21 Cb 0.65 -1.55 -0.11 0.00 -3.04 0.00 0.00 32.46 28.41 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 -3.07 0.96 -0.47 2.89 1.13 -1.26 -5.12 117.35 112.41 1x3c s TYR 22 Ca 0.08 -0.60 -0.02 0.00 -1.41 0.00 0.00 57.07 55.12 1x3c s TYR 22 Cb 0.16 -0.54 0.13 0.00 -1.10 0.00 0.00 41.96 40.60 1x3c s TYR 22 CO 0.75 -0.03 0.26 -1.12 -2.51 0.00 0.00 175.55 172.90 1x3c s SER 23 N -2.14 5.13 0.00 -0.18 0.01 -1.26 -4.93 113.70 110.34 1x3c s SER 23 Ca 0.00 -2.36 0.15 0.00 1.31 0.00 0.00 55.95 55.05 1x3c s SER 23 Cb -0.05 -1.80 0.77 0.00 0.21 0.00 0.00 66.02 65.15 1x3c s SER 23 CO 0.00 -0.45 1.40 -0.81 0.41 0.00 0.00 173.24 173.78 1x3c n PRO 24 N 4.12 0.25 -4.35 12.44 -0.04 -1.26 -4.73 135.00 141.43 1x3c n PRO 24 Ca 0.02 0.13 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1x3c n PRO 24 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 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 -2.49 1.69 -0.20 0.54 5.04 -1.26 -5.14 117.35 115.54 1x3c s TYR 25 Ca 0.15 -0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 54.11 1x3c s TYR 25 Cb 0.10 -0.83 0.09 0.00 0.35 0.00 0.00 41.96 41.66 1x3c s TYR 25 CO 0.22 0.30 0.19 1.03 -1.34 0.00 0.00 175.55 175.94 1x3c s ARG 26 N -3.68 0.16 0.07 4.97 1.81 -1.26 -4.87 118.95 116.15 1x3c s ARG 26 Ca 0.23 0.11 0.17 0.00 -1.72 0.00 0.00 55.73 54.52 1x3c s ARG 26 Cb 0.01 -1.36 0.71 0.00 -0.45 0.00 0.00 34.95 33.86 1x3c s ARG 26 CO 0.07 -0.68 1.53 -0.35 -0.68 0.00 0.00 175.30 175.19 1x3c n PRO 27 N 5.31 0.05 -4.06 3.54 -0.04 -1.26 -4.49 135.00 134.05 1x3c n PRO 27 Ca -0.06 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 1x3c n PRO 27 Cb 0.49 -1.61 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.09 2.86 -0.21 0.54 2.02 -1.24 -5.09 117.35 113.14 1x3c s TYR 28 Ca 0.06 -1.90 0.01 0.00 -0.37 0.00 0.00 57.07 54.87 1x3c s TYR 28 Cb 0.09 -1.84 0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1x3c s TYR 28 CO 0.30 -0.82 -0.12 0.50 -1.57 0.00 0.00 175.55 173.84 1x3c s ARG 29 N 1.25 2.26 0.55 -0.62 6.06 -1.26 -2.82 118.95 124.37 1x3c s ARG 29 Ca -0.03 -0.96 -0.15 0.00 -2.50 0.00 0.00 55.73 52.09 1x3c s ARG 29 Cb -0.17 -2.56 -0.13 0.00 0.06 0.00 0.00 34.95 32.15 1x3c s ARG 29 CO -0.08 -0.42 -0.27 0.00 -2.50 0.00 0.00 175.30 172.03 1x3c h VAL 31 N -0.24 1.26 -0.39 0.00 -1.51 -1.99 -3.43 116.25 109.95 1x3c h VAL 31 Ca -0.36 -3.04 -0.04 0.00 -1.23 0.00 0.00 66.70 62.03 1x3c h VAL 31 Cb 1.22 2.64 -0.01 0.00 -2.13 0.00 0.00 31.29 33.02 1x3c h VAL 31 CO 0.32 0.74 0.09 -1.00 -1.23 0.00 0.00 177.57 176.49 1x3c s HIS 32 N -2.65 1.20 0.14 5.19 3.76 -1.26 -4.81 115.29 116.87 1x3c s HIS 32 Ca -0.03 1.86 -0.22 0.00 -0.15 0.00 0.00 55.06 56.52 1x3c s HIS 32 Cb 0.09 -3.50 -0.00 0.00 1.11 0.00 0.00 32.58 30.28 1x3c s HIS 32 CO 0.82 -1.58 1.21 0.94 -0.85 0.00 0.00 174.74 175.28 1x3c n GLN 33 N 8.82 -0.31 -1.53 1.40 7.27 -1.26 -0.61 117.38 131.16 1x3c n GLN 33 Ca 0.46 1.19 -0.39 0.00 0.07 0.00 0.00 57.00 58.33 1x3c n GLN 33 Cb 0.43 -1.75 -0.02 0.00 2.41 0.00 0.00 30.24 31.31 1x3c n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1x3c n GLY 34 N -1.23 4.55 0.58 1.69 0.00 -1.26 -3.95 105.19 105.56 1x3c n GLY 34 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.27 -2.35 -4.41 0.00 3.72 -1.25 -5.02 117.46 105.88 1x3c n PHE 36 Ca 0.00 0.85 -0.27 0.00 -0.05 0.00 0.00 57.45 57.98 1x3c n PHE 36 Cb 0.24 -4.44 -0.12 0.00 -0.94 0.00 0.00 39.48 34.22 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 -3.27 2.46 -0.15 4.37 0.00 -1.26 -5.11 121.76 118.79 1x3c s ALA 37 Ca 0.42 -1.60 -0.34 0.00 0.00 0.00 0.00 51.96 50.44 1x3c s ALA 37 Cb -0.19 -0.32 0.13 0.00 0.00 0.00 0.00 23.12 22.75 1x3c s ALA 37 CO 0.61 0.42 1.15 0.00 0.00 0.00 0.00 175.76 177.95 1x3c s ALA 38 N -1.63 -2.03 0.17 0.00 0.00 -1.26 -2.73 121.76 114.28 1x3c s ALA 38 Ca 0.19 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.47 1x3c s ALA 38 Cb -0.08 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1x3c s ALA 38 CO 0.09 -0.63 0.39 -0.06 0.00 0.00 0.00 175.76 175.55 1x3c s PHE 39 N -2.55 0.11 -0.16 0.00 0.40 -1.13 -5.02 117.98 109.63 1x3c s PHE 39 Ca 0.09 -0.47 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 1x3c s PHE 39 Cb -0.01 0.16 -0.21 0.00 0.51 0.00 0.00 43.02 43.47 1x3c s PHE 39 CO -0.05 -0.79 0.50 1.15 0.70 0.00 0.00 175.22 176.72 1x3c h THR 40 N 2.39 1.32 -3.51 0.64 2.02 -1.89 -3.29 112.91 110.59 1x3c h THR 40 Ca -0.31 -2.16 -0.53 0.00 0.77 0.00 0.00 66.41 64.19 1x3c h THR 40 Cb 1.24 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 70.29 1x3c h THR 40 CO 0.44 0.45 0.16 -0.63 0.37 0.00 0.00 175.52 176.31 1x3c s ILE 41 N -2.23 4.41 0.32 3.11 1.01 -1.26 -4.69 121.20 121.87 1x3c s ILE 41 Ca -0.21 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.09 1x3c s ILE 41 Cb 0.00 -4.10 0.20 0.00 0.01 0.00 0.00 42.46 38.58 1x3c s ILE 41 CO 0.60 0.49 1.92 -0.61 0.00 0.00 0.00 174.94 177.34 1x3c h GLN 42 N 4.24 0.79 0.60 2.79 4.15 -2.00 -2.72 115.11 122.97 1x3c h GLN 42 Ca -0.47 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 58.81 1x3c h GLN 42 Cb 1.21 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.75 1x3c h GLN 42 CO 0.66 0.63 -0.29 0.37 -1.93 0.00 0.00 178.83 178.27 1x3c h GLN 43 N 0.79 -0.78 0.00 1.69 5.75 -2.00 -2.65 115.11 117.91 1x3c h GLN 43 Ca 0.19 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 1x3c h GLN 43 Cb 0.12 0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1x3c h GLN 43 CO -0.02 -0.47 0.30 -0.91 -2.65 0.00 0.00 178.83 175.08 1x3c h ASN 44 N -1.08 0.00 1.00 -0.69 2.35 -1.96 0.68 115.58 115.88 1x3c h ASN 44 Ca -0.08 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 1x3c h ASN 44 Cb 0.67 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 1x3c h ASN 44 CO 0.14 0.00 -1.06 0.25 -1.65 0.00 0.00 177.43 175.11 1x3c h LEU 45 N 0.00 0.00 0.56 1.61 5.85 -1.15 -3.33 115.31 118.85 1x3c h LEU 45 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1x3c h LEU 45 Cb 0.59 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1x3c h LEU 45 CO 0.00 0.68 -0.27 0.40 -0.34 0.00 0.00 178.44 178.91 1x3c h ILE 46 N 0.00 0.00 -0.86 4.05 2.04 0.64 -3.15 117.51 120.23 1x3c h ILE 46 Ca -0.09 -0.10 0.22 0.00 1.00 0.00 0.00 64.86 65.89 1x3c h ILE 46 Cb 1.60 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.54 1x3c h ILE 46 CO 0.07 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 178.29 1x3c h LEU 47 N -0.85 -0.17 -0.99 1.44 -0.00 -1.73 0.19 115.31 113.19 1x3c h LEU 47 Ca -0.08 0.21 0.33 0.00 -0.00 0.00 0.00 57.88 58.34 1x3c h LEU 47 Cb 0.57 0.32 -0.18 0.00 -0.00 0.00 0.00 40.66 41.38 1x3c h LEU 47 CO 0.13 -0.20 0.23 -0.74 -0.00 0.00 0.00 178.44 177.86 1x3c h HIS 48 N 0.14 0.30 -0.07 1.13 -0.00 -1.65 2.03 115.15 117.04 1x3c h HIS 48 Ca 0.52 0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 60.82 1x3c h HIS 48 Cb 1.03 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 1x3c h HIS 48 CO -0.34 -0.44 -0.56 1.88 -0.00 0.00 0.00 177.93 178.47 1x3c h TYR 49 N 0.02 0.25 0.00 5.26 -1.99 -0.68 0.14 116.97 119.96 1x3c h TYR 49 Ca 0.70 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 61.34 1x3c h TYR 49 Cb 1.62 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.30 1x3c h TYR 49 CO -0.30 0.71 -0.34 1.04 -0.00 0.00 0.00 178.16 179.26 1x3c n GLN 50 N -3.90 0.19 -0.09 4.88 6.02 0.59 0.94 117.38 126.01 1x3c n GLN 50 Ca -0.02 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 1x3c n GLN 50 Cb 0.58 -1.66 -0.16 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.71 1.50 -0.08 -1.58 0.00 0.38 -3.62 120.51 115.40 1x3c n ALA 51 Ca 0.05 -1.27 -0.15 0.00 0.00 0.00 0.00 53.44 52.06 1x3c n ALA 51 Cb 0.40 -0.25 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.79 1.30 0.53 0.00 0.31 0.45 -4.60 118.33 113.53 1x3c n VAL 52 Ca -0.31 -0.06 0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1x3c n VAL 52 Cb 1.15 -1.97 0.26 0.00 -0.91 0.00 0.00 33.84 32.37 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 -4.09 0.54 -3.17 3.52 8.25 -0.06 -4.92 115.22 115.29 1x3c n HIS 53 Ca -0.27 -0.27 -0.21 0.00 -0.26 0.00 0.00 57.72 56.71 1x3c n HIS 53 Cb 0.61 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 1x3c n HIS 53 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1x3c n LYS 54 N 0.99 -1.45 -4.26 -0.41 3.00 0.27 -4.82 118.16 111.47 1x3c n LYS 54 Ca 0.18 0.07 -0.17 0.00 -0.00 0.00 0.00 58.31 58.39 1x3c n LYS 54 Cb 0.46 -3.59 -0.09 0.00 0.00 0.00 0.00 35.03 31.82 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1x3c s SER 55 N -2.29 1.18 0.48 3.14 1.04 -0.03 -4.86 113.70 112.37 1x3c s SER 55 Ca 0.40 -1.62 0.07 0.00 0.48 0.00 0.00 55.95 55.28 1x3c s SER 55 Cb -0.24 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.44 1x3c s SER 55 CO 0.49 -0.97 0.54 -0.90 0.98 0.00 0.00 173.24 173.38 1x3c n ASP 56 N -1.08 2.10 -4.75 7.02 5.75 -1.26 -2.72 116.55 121.60 1x3c n ASP 56 Ca 0.05 -2.44 -0.33 0.00 -0.01 0.00 0.00 54.79 52.06 1x3c n ASP 56 Cb 0.64 -0.22 0.07 0.00 -1.03 0.00 0.00 41.12 40.57 1x3c n ASP 56 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1x3c s LEU 57 N 0.00 3.28 0.37 -2.12 2.01 -1.26 -4.94 118.68 116.02 1x3c s LEU 57 Ca 0.41 2.06 0.16 0.00 0.01 0.00 0.00 54.13 56.77 1x3c s LEU 57 Cb -0.03 -4.56 0.70 0.00 0.01 0.00 0.00 46.19 42.31 1x3c s LEU 57 CO 0.26 -1.92 1.77 1.55 1.01 0.00 0.00 176.35 179.03 1x3c h PRO 58 N -0.34 0.00 -6.17 1.29 0.13 -2.02 -3.45 132.00 121.44 1x3c h PRO 58 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 1x3c h PRO 58 Cb 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1x3c h PRO 58 CO 0.52 0.40 -0.70 0.00 -0.23 0.00 0.00 178.00 177.99 1x3c s ALA 59 N -3.87 2.95 -0.17 -0.56 0.00 -1.26 -5.02 121.76 113.83 1x3c s ALA 59 Ca -0.02 -1.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.06 1x3c s ALA 59 Cb 0.13 -0.44 -0.21 0.00 0.00 0.00 0.00 23.12 22.60 1x3c s ALA 59 CO 0.71 0.24 3.46 1.97 0.00 0.00 0.00 175.76 182.14 1x3c n PHE 60 N -0.76 0.38 -1.60 0.00 -1.74 -1.26 -4.56 117.46 107.92 1x3c n PHE 60 Ca -0.05 -1.66 -0.36 0.00 -0.56 0.00 0.00 57.45 54.81 1x3c n PHE 60 Cb 0.60 -1.62 0.05 0.00 1.52 0.00 0.00 39.48 40.03 1x3c n PHE 60 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1x3c n SER 61 N 2.33 7.55 -4.01 5.98 3.41 -1.26 -4.93 113.62 122.68 1x3c n SER 61 Ca 0.46 -3.77 -0.10 0.00 -0.26 0.00 0.00 58.87 55.21 1x3c n SER 61 Cb 0.82 -1.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x3c s ALA 62 N -3.80 0.24 -1.15 7.33 0.00 -1.26 -4.88 121.76 118.24 1x3c s ALA 62 Ca 0.58 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1x3c s ALA 62 Cb 0.46 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.50 1x3c s ALA 62 CO -0.21 -0.61 0.32 -0.85 0.00 0.00 0.00 175.76 174.42 1x3c n GLU 63 N -0.19 -3.05 -4.33 0.00 0.28 -1.26 -4.94 120.64 107.15 1x3c n GLU 63 Ca -0.07 0.49 -0.25 0.00 -0.16 0.00 0.00 57.16 57.17 1x3c n GLU 63 Cb 0.63 -5.15 -0.09 0.00 1.43 0.00 0.00 31.44 28.26 1x3c n GLU 63 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1x3c s VAL 64 N -2.79 3.13 -1.14 3.84 1.01 -1.26 -4.67 120.40 118.51 1x3c s VAL 64 Ca 0.26 -1.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 1x3c s VAL 64 Cb -0.14 -2.62 0.13 0.00 0.00 0.00 0.00 36.38 33.75 1x3c s VAL 64 CO 0.32 -0.27 0.32 -0.62 0.00 0.00 0.00 175.10 174.85 1x3c n GLU 65 N -0.44 -0.84 -3.76 2.72 -0.58 -1.26 -4.86 120.64 111.62 1x3c n GLU 65 Ca -0.08 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1x3c n GLU 65 Cb 0.58 -2.82 -0.05 0.00 -0.57 0.00 0.00 31.44 28.58 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1x3c s GLU 66 N -5.01 2.42 -0.08 3.49 0.41 -1.26 -5.14 118.70 113.53 1x3c s GLU 66 Ca 0.44 -1.65 -0.03 0.00 -0.41 0.00 0.00 54.97 53.32 1x3c s GLU 66 Cb -0.26 -2.24 0.05 0.00 -1.78 0.00 0.00 34.13 29.90 1x3c s GLU 66 CO 0.64 -0.18 0.15 -2.00 -0.49 0.00 0.00 175.26 173.38 1x3c s GLU 67 N -4.06 0.03 -0.05 1.61 2.56 -1.26 -5.14 118.70 112.38 1x3c s GLU 67 Ca 0.45 0.55 0.06 0.00 0.00 0.00 0.00 54.97 56.03 1x3c s GLU 67 Cb -0.01 -0.30 -0.01 0.00 2.00 0.00 0.00 34.13 35.80 1x3c s GLU 67 CO 0.26 -0.31 -0.24 -1.12 -0.56 0.00 0.00 175.26 173.28 1x3c s SER 68 N 2.29 3.15 -0.28 -1.70 0.01 -1.26 -5.12 113.70 110.80 1x3c s SER 68 Ca 0.03 -0.48 -0.27 0.00 1.31 0.00 0.00 55.95 56.54 1x3c s SER 68 Cb -0.12 -0.75 0.18 0.00 0.21 0.00 0.00 66.02 65.54 1x3c s SER 68 CO -0.06 0.27 1.33 -0.83 0.41 0.00 0.00 173.24 174.36 1x3c s GLY 69 N -0.29 0.13 0.48 3.44 0.00 -1.26 -5.16 107.32 104.66 1x3c s GLY 69 Ca 0.00 2.99 -0.22 0.00 0.00 0.00 0.00 44.72 47.50 1x3c s GLY 69 CO 0.02 1.46 1.16 2.56 0.00 0.00 0.00 173.10 178.30 1x3c s PRO 70 N -0.55 3.66 -0.05 2.90 0.04 -1.26 -4.99 135.00 134.75 1x3c s PRO 70 Ca 0.07 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 1x3c s PRO 70 Cb -0.03 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1x3c s PRO 70 CO -0.10 -0.62 -0.15 0.45 0.04 0.00 0.00 177.00 176.62 1x3c n SER 71 N -0.69 1.30 -3.59 6.66 2.88 -1.26 -5.12 113.62 113.80 1x3c n SER 71 Ca 0.08 0.20 -0.07 0.00 -1.33 0.00 0.00 58.87 57.75 1x3c n SER 71 Cb 0.49 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 1x3c n SER 71 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3c s SER 72 N -5.99 -0.24 0.00 -3.46 0.01 -1.26 -5.38 113.70 97.38 1x3c s SER 72 Ca -0.14 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1x3c s SER 72 Cb 0.03 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1x3c s SER 72 CO 0.19 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.18