#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 -0.93 -0.11 1.61 0.01 -1.26 -5.07 113.70 107.95 1x3c s SER 2 Ca 0.00 1.45 -0.06 0.00 1.31 0.00 0.00 55.95 58.65 1x3c s SER 2 Cb 0.00 1.59 -0.05 0.00 0.21 0.00 0.00 66.02 67.77 1x3c s SER 2 CO 0.00 -0.23 0.12 -1.28 0.41 0.00 0.00 173.24 172.26 1x3c h SER 3 N 7.36 0.00 0.00 2.44 0.87 -2.12 -3.48 113.55 118.61 1x3c h SER 3 Ca -0.26 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1x3c h SER 3 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x3c h SER 3 CO 0.15 0.63 0.00 0.61 -0.53 0.00 0.00 176.83 177.69 1x3c n GLY 4 N 1.73 2.95 3.25 5.77 0.00 -1.26 -4.92 105.19 112.72 1x3c n GLY 4 Ca -0.03 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 1x3c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x3c n SER 5 N 8.03 -3.39 -3.57 1.61 2.88 -1.26 -5.01 113.62 112.90 1x3c n SER 5 Ca 0.00 -0.53 -0.20 0.00 -1.33 0.00 0.00 58.87 56.81 1x3c n SER 5 Cb 0.00 -4.63 -0.15 0.00 -0.75 0.00 0.00 64.21 58.68 1x3c n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x3c s SER 6 N -3.90 1.48 0.00 -3.46 0.01 -1.26 -5.11 113.70 101.46 1x3c s SER 6 Ca 0.18 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1x3c s SER 6 Cb -0.08 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x3c s SER 6 CO 0.66 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1x3c n GLY 7 N 5.31 4.55 3.64 3.44 0.00 -1.26 -5.17 105.19 115.70 1x3c n GLY 7 Ca -0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 1x3c n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x3c s ARG 8 N -3.90 0.61 0.17 1.61 1.70 -1.26 -5.18 118.95 112.70 1x3c s ARG 8 Ca 0.00 1.09 0.01 0.00 -0.47 0.00 0.00 55.73 56.36 1x3c s ARG 8 Cb 0.00 0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 1x3c s ARG 8 CO 0.00 -0.14 0.04 0.15 -1.08 0.00 0.00 175.30 174.27 1x3c s LYS 9 N 1.68 1.08 -0.29 3.89 -0.14 -1.26 -5.17 119.74 119.53 1x3c s LYS 9 Ca -0.09 -1.53 -0.23 0.00 -1.36 0.00 0.00 55.97 52.76 1x3c s LYS 9 Cb -0.05 -0.06 0.16 0.00 -1.68 0.00 0.00 37.83 36.20 1x3c s LYS 9 CO -0.19 -0.20 1.22 0.21 -0.76 0.00 0.00 175.35 175.63 1x3c s LYS 10 N -3.98 0.26 0.32 1.68 2.20 -1.26 -5.18 119.74 113.77 1x3c s LYS 10 Ca 0.26 0.33 -0.05 0.00 -0.36 0.00 0.00 55.97 56.15 1x3c s LYS 10 Cb 0.07 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.58 1x3c s LYS 10 CO 0.04 -0.03 0.29 -0.35 -0.36 0.00 0.00 175.35 174.94 1x3c n PRO 11 N 2.20 -1.58 -0.06 4.03 -0.04 -1.26 -4.97 135.00 133.31 1x3c n PRO 11 Ca -0.13 -0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 62.74 1x3c n PRO 11 Cb 0.56 -0.43 -0.06 0.00 -0.04 0.00 0.00 33.50 33.53 1x3c n PRO 11 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1x3c h VAL 12 N -1.83 1.34 -2.20 0.52 3.04 -2.10 -3.48 116.25 111.54 1x3c h VAL 12 Ca -0.11 -1.53 0.28 0.00 -1.01 0.00 0.00 66.70 64.33 1x3c h VAL 12 Cb 0.33 1.86 -0.06 0.00 -2.01 0.00 0.00 31.29 31.40 1x3c h VAL 12 CO 0.07 0.47 0.78 -0.44 -1.01 0.00 0.00 177.57 177.44 1x3c s SER 13 N -6.46 -0.01 -0.30 3.17 0.01 -1.26 -5.17 113.70 103.68 1x3c s SER 13 Ca -0.13 -0.36 -0.17 0.00 1.31 0.00 0.00 55.95 56.61 1x3c s SER 13 Cb 0.07 0.27 0.18 0.00 0.21 0.00 0.00 66.02 66.75 1x3c s SER 13 CO 0.81 -0.54 1.13 -1.58 0.41 0.00 0.00 173.24 173.47 1x3c s GLN 14 N -2.14 0.16 -0.47 12.44 0.74 -1.26 -5.09 119.66 124.03 1x3c s GLN 14 Ca 0.25 0.37 0.08 0.00 0.05 0.00 0.00 55.36 56.11 1x3c s GLN 14 Cb -0.01 0.22 0.27 0.00 1.10 0.00 0.00 33.01 34.60 1x3c s GLN 14 CO 0.01 -0.08 0.64 -1.13 -0.55 0.00 0.00 175.29 174.18 1x3c n SER 15 N 4.91 1.56 -3.70 6.67 3.41 -1.26 -5.06 113.62 120.14 1x3c n SER 15 Ca -0.08 -3.01 -0.11 0.00 -0.26 0.00 0.00 58.87 55.41 1x3c n SER 15 Cb 0.54 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.74 1x3c n SER 15 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x3c s LEU 16 N -1.87 0.02 0.07 1.04 1.43 -1.26 -5.04 118.68 113.06 1x3c s LEU 16 Ca 0.38 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.16 1x3c s LEU 16 Cb 0.20 1.22 -0.24 0.00 0.03 0.00 0.00 46.19 47.39 1x3c s LEU 16 CO -0.08 -0.19 1.17 1.05 0.23 0.00 0.00 176.35 178.53 1x3c h GLU 17 N 7.14 0.65 -3.01 1.70 4.11 -2.01 -3.46 114.58 119.70 1x3c h GLU 17 Ca -0.38 -0.76 -0.15 0.00 0.07 0.00 0.00 59.36 58.14 1x3c h GLU 17 Cb 1.18 0.23 -0.25 0.00 0.50 0.00 0.00 28.75 30.40 1x3c h GLU 17 CO 0.31 1.33 -0.37 -0.59 0.07 0.00 0.00 179.01 179.76 1x3c s PHE 18 N -3.19 -0.33 0.00 2.06 -0.12 -1.26 -4.66 117.98 110.48 1x3c s PHE 18 Ca -0.09 0.81 0.00 0.00 -0.05 0.00 0.00 56.93 57.60 1x3c s PHE 18 Cb 0.07 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.57 1x3c s PHE 18 CO 0.92 -0.16 0.00 -0.35 -0.05 0.00 0.00 175.22 175.58 1x3c n PRO 19 N 3.01 0.00 -0.09 1.99 -0.04 -1.26 -4.81 135.00 133.79 1x3c n PRO 19 Ca -0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1x3c n PRO 19 Cb 0.58 -0.24 -0.12 0.00 -0.04 0.00 0.00 33.50 33.68 1x3c n PRO 19 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1x3c n THR 20 N 0.00 1.59 0.10 0.52 5.66 -1.26 -4.93 114.28 115.97 1x3c n THR 20 Ca 0.00 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1x3c n THR 20 Cb 0.00 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 67.10 1x3c n THR 20 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1x3c n ARG 21 N -3.67 0.00 -3.71 1.09 3.00 -1.26 -5.15 116.66 106.96 1x3c n ARG 21 Ca -0.42 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.34 1x3c n ARG 21 Cb 0.95 -0.20 -0.03 0.00 0.00 0.00 0.00 32.46 33.18 1x3c n ARG 21 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1x3c s TYR 22 N -1.96 -0.26 -0.49 -0.14 1.13 -1.26 -4.91 117.35 109.47 1x3c s TYR 22 Ca 0.00 -0.10 -0.05 0.00 -1.41 0.00 0.00 57.07 55.51 1x3c s TYR 22 Cb 0.00 0.58 0.13 0.00 -1.10 0.00 0.00 41.96 41.56 1x3c s TYR 22 CO 0.00 -1.04 0.32 -1.12 -2.51 0.00 0.00 175.55 171.19 1x3c s SER 23 N -2.86 5.46 0.00 -0.18 0.01 -1.26 -4.65 113.70 110.21 1x3c s SER 23 Ca 0.08 -2.17 0.12 0.00 1.31 0.00 0.00 55.95 55.29 1x3c s SER 23 Cb -0.03 -1.91 0.71 0.00 0.21 0.00 0.00 66.02 65.00 1x3c s SER 23 CO -0.01 -0.56 1.14 -0.81 0.41 0.00 0.00 173.24 173.41 1x3c n PRO 24 N 4.47 0.49 -4.08 12.44 -0.04 -1.26 -4.73 135.00 142.28 1x3c n PRO 24 Ca -0.02 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 1x3c n PRO 24 Cb 0.41 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 3.16 -0.41 0.54 5.04 -1.26 -5.10 117.35 117.33 1x3c s TYR 25 Ca 0.18 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.80 1x3c s TYR 25 Cb 0.08 -1.48 0.11 0.00 0.35 0.00 0.00 41.96 41.02 1x3c s TYR 25 CO 0.14 0.52 0.15 1.03 -1.34 0.00 0.00 175.55 176.05 1x3c s ARG 26 N -3.40 1.51 0.00 4.97 3.00 -1.26 -4.62 118.95 119.15 1x3c s ARG 26 Ca 0.32 -2.03 0.11 0.00 0.00 0.00 0.00 55.73 54.12 1x3c s ARG 26 Cb -0.09 -2.95 0.63 0.00 0.00 0.00 0.00 34.95 32.54 1x3c s ARG 26 CO 0.24 -1.03 1.07 -0.35 0.00 0.00 0.00 175.30 175.23 1x3c n PRO 27 N 3.85 0.49 -4.19 3.54 -0.04 -1.26 -4.55 135.00 132.84 1x3c n PRO 27 Ca 0.04 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.23 1x3c n PRO 27 Cb 0.38 -1.34 -0.17 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.00 1.68 0.06 0.54 1.51 -1.23 -5.07 117.35 112.85 1x3c s TYR 28 Ca 0.16 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 1x3c s TYR 28 Cb 0.07 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1x3c s TYR 28 CO 0.12 -0.47 -0.09 0.50 -1.11 0.00 0.00 175.55 174.50 1x3c s ARG 29 N 1.28 0.67 -0.11 -0.62 3.52 -1.26 -1.89 118.95 120.54 1x3c s ARG 29 Ca -0.02 -0.94 -0.30 0.00 -0.13 0.00 0.00 55.73 54.35 1x3c s ARG 29 Cb -0.14 -0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 32.82 1x3c s ARG 29 CO -0.04 0.07 1.31 0.00 -0.81 0.00 0.00 175.30 175.82 1x3c h VAL 31 N 5.33 1.25 -0.36 0.00 -1.51 -2.00 -3.41 116.25 115.55 1x3c h VAL 31 Ca -0.31 -0.59 -0.36 0.00 -1.23 0.00 0.00 66.70 64.20 1x3c h VAL 31 Cb 1.13 0.05 -0.06 0.00 -2.13 0.00 0.00 31.29 30.28 1x3c h VAL 31 CO 0.94 0.27 1.52 1.41 -1.23 0.00 0.00 177.57 180.49 1x3c n HIS 32 N -4.37 0.66 -1.46 5.19 8.25 -1.26 -4.74 115.22 117.48 1x3c n HIS 32 Ca 0.09 0.15 -0.46 0.00 -0.26 0.00 0.00 57.72 57.24 1x3c n HIS 32 Cb 0.08 -1.90 -0.09 0.00 1.12 0.00 0.00 29.99 29.21 1x3c n HIS 32 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1x3c n GLN 33 N 7.74 0.72 0.00 -0.41 7.27 -1.26 -1.51 117.38 129.93 1x3c n GLN 33 Ca 0.58 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.78 1x3c n GLN 33 Cb 0.23 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.52 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 6.51 4.07 0.27 1.69 0.00 -1.26 -4.97 105.19 111.50 1x3c n GLY 34 Ca 0.47 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.29 -2.57 -3.43 0.00 3.01 -1.26 -5.00 117.46 102.91 1x3c n PHE 36 Ca 0.14 0.87 -0.19 0.00 1.01 0.00 0.00 57.45 59.28 1x3c n PHE 36 Cb 0.48 -4.72 -0.00 0.00 -0.01 0.00 0.00 39.48 35.23 1x3c n PHE 36 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x3c s ALA 37 N -3.27 4.20 -0.19 4.37 0.00 -1.26 -4.99 121.76 120.62 1x3c s ALA 37 Ca 0.51 -1.43 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 1x3c s ALA 37 Cb -0.22 -1.71 0.15 0.00 0.00 0.00 0.00 23.12 21.33 1x3c s ALA 37 CO 0.63 -0.06 1.14 0.00 0.00 0.00 0.00 175.76 177.46 1x3c s ALA 38 N -2.20 -2.01 0.03 0.00 0.00 -1.26 -2.39 121.76 113.93 1x3c s ALA 38 Ca 0.45 1.63 -0.18 0.00 0.00 0.00 0.00 51.96 53.87 1x3c s ALA 38 Cb -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1x3c s ALA 38 CO 0.32 -0.38 0.39 -0.06 0.00 0.00 0.00 175.76 176.03 1x3c s PHE 39 N -1.54 -0.25 -0.10 0.00 0.08 -0.79 -5.01 117.98 110.37 1x3c s PHE 39 Ca 0.04 0.25 -0.24 0.00 0.12 0.00 0.00 56.93 57.10 1x3c s PHE 39 Cb -0.01 0.19 -0.20 0.00 -0.57 0.00 0.00 43.02 42.43 1x3c s PHE 39 CO -0.03 -0.53 0.80 1.15 -0.10 0.00 0.00 175.22 176.50 1x3c h THR 40 N 3.18 1.35 -3.87 0.64 2.02 -1.88 -3.25 112.91 111.10 1x3c h THR 40 Ca -0.31 -1.75 -0.47 0.00 0.77 0.00 0.00 66.41 64.65 1x3c h THR 40 Cb 1.20 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 1x3c h THR 40 CO 0.43 0.41 0.25 -0.63 0.37 0.00 0.00 175.52 176.35 1x3c s ILE 41 N -2.76 4.44 0.15 3.11 1.01 -1.26 -4.69 121.20 121.20 1x3c s ILE 41 Ca -0.15 1.42 0.29 0.00 0.00 0.00 0.00 60.65 62.20 1x3c s ILE 41 Cb -0.01 -3.74 0.31 0.00 0.01 0.00 0.00 42.46 39.03 1x3c s ILE 41 CO 0.57 -0.10 1.92 -0.61 0.00 0.00 0.00 174.94 176.73 1x3c h GLN 42 N 2.53 0.00 0.00 2.79 4.15 -2.00 -3.11 115.11 119.47 1x3c h GLN 42 Ca -0.48 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.91 1x3c h GLN 42 Cb 1.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 1x3c h GLN 42 CO 0.64 0.11 -0.17 0.37 -1.93 0.00 0.00 178.83 177.85 1x3c h GLN 43 N 0.00 0.00 0.00 1.69 -0.00 -1.98 -3.28 115.11 111.54 1x3c h GLN 43 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1x3c h GLN 43 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.08 1x3c h GLN 43 CO 0.01 0.90 0.13 0.09 0.00 0.00 0.00 178.83 179.97 1x3c n ASN 44 N -4.60 0.39 0.12 -0.69 3.02 -1.21 0.46 115.26 112.74 1x3c n ASN 44 Ca -0.12 0.63 0.11 0.00 -0.03 0.00 0.00 54.58 55.17 1x3c n ASN 44 Cb 0.46 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 39.01 1x3c n ASN 44 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1x3c h LEU 45 N 0.00 0.00 0.41 3.41 5.85 -1.60 -3.36 115.31 120.02 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 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1x3c h LEU 45 CO 0.00 0.01 -0.20 0.40 -0.34 0.00 0.00 178.44 178.32 1x3c h ILE 46 N 0.00 0.00 -0.93 4.05 2.04 -0.06 -3.27 117.51 119.33 1x3c h ILE 46 Ca -0.00 -0.39 0.26 0.00 1.00 0.00 0.00 64.86 65.73 1x3c h ILE 46 Cb 1.01 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.93 1x3c h ILE 46 CO 0.00 0.00 0.12 -0.07 0.00 0.00 0.00 178.15 178.20 1x3c h LEU 47 N -0.94 -0.28 -0.73 1.44 -0.00 -1.75 0.32 115.31 113.38 1x3c h LEU 47 Ca -0.06 0.25 0.15 0.00 -0.00 0.00 0.00 57.88 58.22 1x3c h LEU 47 Cb 0.42 0.40 -0.13 0.00 -0.00 0.00 0.00 40.66 41.35 1x3c h LEU 47 CO 0.09 -0.29 -0.12 -0.74 -0.00 0.00 0.00 178.44 177.39 1x3c h HIS 48 N 0.07 -0.27 0.00 1.13 -0.00 -1.71 1.73 115.15 116.11 1x3c h HIS 48 Ca 0.58 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.99 1x3c h HIS 48 Cb 1.22 0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 28.86 1x3c h HIS 48 CO -0.39 -0.29 -0.14 1.88 -0.00 0.00 0.00 177.93 178.99 1x3c h TYR 49 N 0.03 0.00 0.00 5.26 -1.99 -0.42 0.49 116.97 120.34 1x3c h TYR 49 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.10 1x3c h TYR 49 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1x3c h TYR 49 CO -0.52 0.14 -1.04 1.04 -0.00 0.00 0.00 178.16 177.78 1x3c n GLN 50 N -3.67 0.32 -0.03 4.88 6.02 0.31 -0.19 117.38 125.02 1x3c n GLN 50 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1x3c n GLN 50 Cb 0.26 -1.61 -0.17 0.00 1.02 0.00 0.00 30.24 29.75 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 -1.86 2.48 -0.10 -1.58 0.00 0.51 -3.28 120.51 116.69 1x3c n ALA 51 Ca 0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.58 1x3c n ALA 51 Cb 0.45 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.38 1.46 -0.84 0.00 0.31 0.17 -4.66 118.33 112.38 1x3c n VAL 52 Ca -0.11 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1x3c n VAL 52 Cb 0.71 -2.12 0.25 0.00 -0.91 0.00 0.00 33.84 31.78 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 -4.30 0.95 -3.70 3.52 8.25 -1.01 -4.98 115.22 113.95 1x3c n HIS 53 Ca -0.28 -0.80 -0.21 0.00 -0.26 0.00 0.00 57.72 56.17 1x3c n HIS 53 Cb 0.64 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.22 -0.78 -4.02 -0.41 4.01 -0.35 -4.84 118.16 111.54 1x3c n LYS 54 Ca 0.20 -0.08 -0.10 0.00 -0.51 0.00 0.00 58.31 57.82 1x3c n LYS 54 Cb 0.84 -1.43 -0.05 0.00 -0.51 0.00 0.00 35.03 33.87 1x3c n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1x3c s SER 55 N -3.97 0.06 0.43 4.39 1.04 0.74 -4.88 113.70 111.51 1x3c s SER 55 Ca 0.13 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.55 1x3c s SER 55 Cb -0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1x3c s SER 55 CO 0.54 -1.16 0.62 -1.81 0.98 0.00 0.00 173.24 172.41 1x3c s ASP 56 N -3.06 5.73 0.75 7.02 1.01 -1.26 -2.91 116.67 123.94 1x3c s ASP 56 Ca 0.24 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.36 1x3c s ASP 56 Cb -0.00 -1.18 0.05 0.00 1.01 0.00 0.00 42.92 42.80 1x3c s ASP 56 CO 0.11 -0.73 1.13 -0.76 0.21 0.00 0.00 175.17 175.13 1x3c s LEU 57 N -4.46 3.18 -0.02 1.23 1.02 -1.26 -4.98 118.68 113.39 1x3c s LEU 57 Ca 0.50 2.03 -0.25 0.00 0.02 0.00 0.00 54.13 56.43 1x3c s LEU 57 Cb -0.10 -4.55 -0.19 0.00 0.02 0.00 0.00 46.19 41.37 1x3c s LEU 57 CO 0.35 -2.10 1.20 1.55 0.02 0.00 0.00 176.35 177.38 1x3c h PRO 58 N -0.69 -0.09 -5.82 1.29 0.13 -2.05 -3.44 132.00 121.34 1x3c h PRO 58 Ca -0.45 0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 63.98 1x3c h PRO 58 Cb 1.25 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1x3c h PRO 58 CO 0.50 0.37 1.42 0.00 -0.23 0.00 0.00 178.00 180.06 1x3c n ALA 59 N -2.40 0.38 -1.71 -0.56 0.00 -1.26 -4.84 120.51 110.12 1x3c n ALA 59 Ca -0.08 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1x3c n ALA 59 Cb 0.25 -2.21 0.07 0.00 0.00 0.00 0.00 19.45 17.56 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 6.85 2.11 -0.69 0.00 -0.12 -1.26 -3.27 117.98 121.59 1x3c s PHE 60 Ca 1.21 1.49 -0.04 0.00 -0.05 0.00 0.00 56.93 59.54 1x3c s PHE 60 Cb -1.33 -3.66 0.00 0.00 -0.63 0.00 0.00 43.02 37.40 1x3c s PHE 60 CO 0.60 -2.83 0.48 0.45 -0.05 0.00 0.00 175.22 173.86 1x3c n SER 61 N -1.92 -4.01 0.00 1.98 2.88 -1.26 -5.00 113.62 106.30 1x3c n SER 61 Ca 0.15 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1x3c n SER 61 Cb 0.48 -2.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.26 1x3c n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x3c n ALA 62 N -3.35 0.00 -1.14 -1.46 0.00 -1.20 -4.75 120.51 108.61 1x3c n ALA 62 Ca -0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1x3c n ALA 62 Cb 0.54 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.84 1x3c n ALA 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x3c n GLU 63 N -1.02 0.00 -3.72 0.00 2.13 -1.26 -4.81 120.64 111.96 1x3c n GLU 63 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1x3c n GLU 63 Cb 0.00 -0.92 -0.10 0.00 0.27 0.00 0.00 31.44 30.69 1x3c n GLU 63 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1x3c s VAL 64 N 2.89 -0.01 -0.37 6.31 1.01 -1.26 -5.07 120.40 123.90 1x3c s VAL 64 Ca 1.01 0.03 0.13 0.00 0.00 0.00 0.00 61.98 63.15 1x3c s VAL 64 Cb -0.77 -0.58 0.43 0.00 0.00 0.00 0.00 36.38 35.46 1x3c s VAL 64 CO 0.41 0.01 0.97 -0.62 0.00 0.00 0.00 175.10 175.87 1x3c n GLU 65 N 3.28 1.82 -4.16 2.72 1.02 -1.26 -5.09 120.64 118.97 1x3c n GLU 65 Ca -0.16 -3.66 -0.33 0.00 -0.02 0.00 0.00 57.16 52.98 1x3c n GLU 65 Cb 0.57 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.32 1x3c n GLU 65 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1x3c s GLU 66 N -3.18 3.00 0.07 3.49 -1.05 -1.26 -5.12 118.70 114.65 1x3c s GLU 66 Ca 0.35 -0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 54.54 1x3c s GLU 66 Cb 0.43 -2.81 0.02 0.00 -0.44 0.00 0.00 34.13 31.32 1x3c s GLU 66 CO -0.04 0.65 0.29 -1.21 0.95 0.00 0.00 175.26 175.90 1x3c s GLU 67 N -1.61 0.87 0.11 -4.83 0.41 -1.26 -5.09 118.70 107.31 1x3c s GLU 67 Ca 0.21 -0.67 0.00 0.00 -0.41 0.00 0.00 54.97 54.10 1x3c s GLU 67 Cb -0.12 0.37 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 1x3c s GLU 67 CO 0.12 -0.29 0.00 0.45 -0.49 0.00 0.00 175.26 175.04 1x3c n SER 68 N 0.24 0.66 -2.06 -0.19 2.88 -1.26 -5.15 113.62 108.74 1x3c n SER 68 Ca -0.17 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1x3c n SER 68 Cb 0.61 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1x3c n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x3c n GLY 69 N 2.98 -5.32 3.73 0.46 0.00 -1.26 -4.87 105.19 100.90 1x3c n GLY 69 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.16 4.37 0.05 1.61 0.04 -1.26 -4.94 135.00 133.72 1x3c s PRO 70 Ca 0.00 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1x3c s PRO 70 Cb 0.00 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.32 1x3c s PRO 70 CO 0.00 -0.31 -0.02 0.45 0.04 0.00 0.00 177.00 177.17 1x3c n SER 71 N 3.11 0.77 -4.43 6.66 2.88 -1.26 -5.09 113.62 116.25 1x3c n SER 71 Ca 0.08 0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.43 1x3c n SER 71 Cb 0.43 -0.25 0.15 0.00 -0.75 0.00 0.00 64.21 63.78 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 -5.63 3.68 0.00 -3.46 0.01 -1.26 -5.36 113.70 101.68 1x3c s SER 72 Ca -0.01 0.43 0.04 0.00 1.31 0.00 0.00 55.95 57.71 1x3c s SER 72 Cb 0.00 -0.65 0.03 0.00 0.21 0.00 0.00 66.02 65.61 1x3c s SER 72 CO 0.02 -2.39 0.61 0.61 0.41 0.00 0.00 173.24 172.50