#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej n SER 2 N 0.00 5.45 -0.10 1.61 2.88 -1.26 -4.89 113.62 117.31 2eej n SER 2 Ca 0.00 -3.61 -0.10 0.00 -1.33 0.00 0.00 58.87 53.82 2eej n SER 2 Cb 0.00 -0.85 -0.05 0.00 -0.75 0.00 0.00 64.21 62.56 2eej n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2eej h SER 3 N 3.86 -1.40 0.00 -3.46 0.87 -2.12 -3.48 113.55 107.82 2eej h SER 3 Ca 0.27 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2eej h SER 3 Cb 0.49 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2eej h SER 3 CO 0.99 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.52 2eej n GLY 4 N -1.42 -0.65 3.43 5.77 0.00 -1.26 -5.12 105.19 105.94 2eej n GLY 4 Ca -0.01 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2eej n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej s SER 5 N -4.00 4.23 -0.20 1.61 0.01 -1.26 -5.11 113.70 108.98 2eej s SER 5 Ca 0.00 -0.24 -0.12 0.00 1.31 0.00 0.00 55.95 56.90 2eej s SER 5 Cb 0.00 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 2eej s SER 5 CO 0.00 0.21 0.21 -0.55 0.41 0.00 0.00 173.24 173.52 2eej s SER 6 N 0.12 6.27 0.00 2.44 0.15 -1.26 -5.04 113.70 116.38 2eej s SER 6 Ca -0.05 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2eej s SER 6 Cb -0.14 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2eej s SER 6 CO 0.04 0.09 0.50 0.61 1.20 0.00 0.00 173.24 175.69 2eej n GLY 7 N 3.77 -2.67 0.00 9.45 0.00 -1.26 -4.87 105.19 109.61 2eej n GLY 7 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2eej n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eej n PRO 8 N -0.60 -0.72 -4.61 1.61 -0.04 -1.26 -4.91 135.00 124.47 2eej n PRO 8 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2eej n PRO 8 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2eej n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2eej s LYS 9 N -2.54 2.17 -0.16 0.54 3.01 -0.41 -4.99 119.74 117.36 2eej s LYS 9 Ca 0.00 -0.56 -0.06 0.00 -1.01 0.00 0.00 55.97 54.35 2eej s LYS 9 Cb 0.00 -1.79 -0.04 0.00 -1.01 0.00 0.00 37.83 34.99 2eej s LYS 9 CO 0.00 0.00 0.03 -1.17 0.51 0.00 0.00 175.35 174.72 2eej s LEU 10 N 0.79 3.64 -0.04 3.17 1.98 -1.26 -2.48 118.68 124.48 2eej s LEU 10 Ca -0.11 0.05 -0.04 0.00 -2.89 0.00 0.00 54.13 51.14 2eej s LEU 10 Cb -0.16 -1.90 0.01 0.00 0.66 0.00 0.00 46.19 44.81 2eej s LEU 10 CO 0.02 0.21 0.12 0.00 -1.89 0.00 0.00 176.35 174.81 2eej s ARG 12 N 0.05 3.11 0.04 0.00 3.00 -1.26 -3.25 118.95 120.64 2eej s ARG 12 Ca -0.00 0.75 0.06 0.00 0.00 0.00 0.00 55.73 56.54 2eej s ARG 12 Cb -0.01 -2.03 -0.02 0.00 0.00 0.00 0.00 34.95 32.89 2eej s ARG 12 CO 0.00 -0.92 -0.18 -0.51 0.00 0.00 0.00 175.30 173.69 2eej s LEU 13 N -5.39 2.16 -0.24 2.53 1.43 -0.39 -4.78 118.68 114.01 2eej s LEU 13 Ca 0.57 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2eej s LEU 13 Cb -0.12 -0.82 0.06 0.00 0.03 0.00 0.00 46.19 45.33 2eej s LEU 13 CO 0.54 0.11 -0.08 0.00 0.23 0.00 0.00 176.35 177.15 2eej s ALA 14 N -0.80 2.18 -0.17 4.21 0.00 -1.26 -2.57 121.76 123.34 2eej s ALA 14 Ca 0.05 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 2eej s ALA 14 Cb -0.08 -1.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.50 2eej s ALA 14 CO 0.01 -1.14 2.14 1.17 0.00 0.00 0.00 175.76 177.95 2eej n LYS 15 N 4.59 2.04 0.00 0.00 4.81 0.79 -4.59 118.16 125.80 2eej n LYS 15 Ca -0.13 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2eej n LYS 15 Cb 0.44 -3.05 0.00 0.00 0.02 0.00 0.00 35.03 32.44 2eej n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2eej n GLY 16 N 5.52 -2.09 0.15 3.14 0.00 -1.26 -4.91 105.19 105.74 2eej n GLY 16 Ca 0.29 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 2eej n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2eej h GLU 17 N 0.00 0.44 0.00 1.61 3.07 -2.03 -3.38 114.58 114.28 2eej h GLU 17 Ca 0.00 -0.19 -0.30 0.00 -0.50 0.00 0.00 59.36 58.37 2eej h GLU 17 Cb 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 2eej h GLU 17 CO 0.00 0.72 -1.89 0.27 -1.40 0.00 0.00 179.01 176.71 2eej n ASN 18 N -4.55 1.93 0.00 1.42 0.23 -1.26 -5.11 115.26 107.92 2eej n ASN 18 Ca -0.05 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 2eej n ASN 18 Cb 0.33 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.20 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2eej n GLY 19 N 1.35 0.83 3.65 4.83 0.00 -1.26 -5.12 105.19 109.47 2eej n GLY 19 Ca -0.39 -0.88 -0.59 0.00 0.00 0.00 0.00 46.02 44.16 2eej n GLY 19 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2eej n TYR 20 N -0.27 1.61 -0.31 1.61 4.01 -1.26 -4.30 117.16 118.24 2eej n TYR 20 Ca 0.00 0.78 0.11 0.00 -0.16 0.00 0.00 57.90 58.63 2eej n TYR 20 Cb 0.00 -2.32 0.28 0.00 -0.31 0.00 0.00 39.34 37.00 2eej n TYR 20 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2eej h GLY 21 N 5.34 1.53 -1.04 2.72 0.00 -1.92 -3.41 103.07 106.28 2eej h GLY 21 Ca -0.47 -0.23 -0.49 0.00 0.00 0.00 0.00 47.33 46.14 2eej h GLY 21 CO 0.86 -0.15 0.35 -0.11 0.00 0.00 0.00 176.54 177.49 2eej s PHE 22 N -5.91 2.88 0.09 5.60 -0.71 -1.26 -4.05 117.98 114.63 2eej s PHE 22 Ca -0.12 1.13 -0.05 0.00 -1.04 0.00 0.00 56.93 56.85 2eej s PHE 22 Cb 0.24 -3.13 -0.02 0.00 -1.21 0.00 0.00 43.02 38.90 2eej s PHE 22 CO 0.78 -1.72 0.11 -1.01 -1.34 0.00 0.00 175.22 172.04 2eej s HIS 23 N -3.19 0.43 -0.00 3.49 3.76 -0.22 -4.93 115.29 114.63 2eej s HIS 23 Ca 0.61 -0.88 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 2eej s HIS 23 Cb -0.14 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.27 2eej s HIS 23 CO 0.54 -0.51 0.21 -0.51 -0.85 0.00 0.00 174.74 173.61 2eej s LEU 24 N -2.93 4.37 -0.03 0.89 1.02 -1.26 -0.53 118.68 120.21 2eej s LEU 24 Ca 0.11 0.39 -0.00 0.00 0.02 0.00 0.00 54.13 54.64 2eej s LEU 24 Cb 0.06 -2.66 0.03 0.00 0.02 0.00 0.00 46.19 43.64 2eej s LEU 24 CO -0.07 0.25 0.03 0.20 0.02 0.00 0.00 176.35 176.78 2eej s ASN 25 N -1.92 0.51 -0.09 2.29 0.01 -1.09 -4.93 114.94 109.71 2eej s ASN 25 Ca 0.28 0.02 -0.30 0.00 -0.71 0.00 0.00 52.86 52.16 2eej s ASN 25 Cb -0.13 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.35 2eej s ASN 25 CO 0.19 -0.15 1.26 0.00 -1.51 0.00 0.00 177.10 176.88 2eej s ALA 26 N 1.37 3.57 -0.83 0.60 0.00 -1.26 -3.86 121.76 121.35 2eej s ALA 26 Ca -0.05 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 2eej s ALA 26 Cb -0.13 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.62 2eej s ALA 26 CO -0.03 -0.96 0.69 0.42 0.00 0.00 0.00 175.76 175.88 2eej s ILE 27 N 2.80 3.96 0.05 0.00 -1.09 -1.26 -5.07 121.20 120.59 2eej s ILE 27 Ca 0.57 -3.93 -0.26 0.00 -2.23 0.00 0.00 60.65 54.80 2eej s ILE 27 Cb -0.24 -3.49 -0.14 0.00 -1.58 0.00 0.00 42.46 37.01 2eej s ILE 27 CO 0.20 -1.06 0.64 0.54 -1.23 0.00 0.00 174.94 174.03 2eej n ARG 28 N 2.29 0.00 0.00 2.79 5.12 -1.26 -2.35 116.66 123.25 2eej n ARG 28 Ca 0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 2eej n ARG 28 Cb 0.36 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eej n GLY 29 N 1.19 2.94 3.88 -0.13 0.00 -1.26 -5.05 105.19 106.76 2eej n GLY 29 Ca 0.14 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 2eej n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 30 N 0.00 4.37 0.00 0.99 1.43 -0.99 -5.10 118.68 119.38 2eej s LEU 30 Ca 0.00 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.48 2eej s LEU 30 Cb 0.00 -2.63 0.27 0.00 0.03 0.00 0.00 46.19 43.86 2eej s LEU 30 CO 0.00 0.26 0.97 -0.81 0.23 0.00 0.00 176.35 177.01 2eej n PRO 31 N 1.18 -2.91 -0.50 1.29 -0.04 -1.26 -4.72 135.00 128.03 2eej n PRO 31 Ca -0.12 -1.56 0.07 0.00 -0.04 0.00 0.00 63.50 61.85 2eej n PRO 31 Cb 0.53 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 2eej n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eej n GLY 32 N -3.97 -0.86 1.94 0.55 0.00 0.24 -4.93 105.19 98.16 2eej n GLY 32 Ca 0.14 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2eej n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eej n SER 33 N -4.00 2.14 -3.87 1.61 2.88 -1.26 -4.77 113.62 106.35 2eej n SER 33 Ca 0.00 -2.03 -0.10 0.00 -1.33 0.00 0.00 58.87 55.41 2eej n SER 33 Cb 0.23 0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.64 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2eej s PHE 34 N -1.56 0.10 -0.12 0.66 0.40 -1.25 -3.82 117.98 112.39 2eej s PHE 34 Ca 0.11 -0.35 -0.20 0.00 -0.60 0.00 0.00 56.93 55.90 2eej s PHE 34 Cb -0.01 -0.07 -0.04 0.00 0.51 0.00 0.00 43.02 43.42 2eej s PHE 34 CO 0.07 -0.41 0.56 0.42 0.70 0.00 0.00 175.22 176.56 2eej s ILE 35 N -2.56 5.12 0.04 0.64 1.01 0.98 -2.69 121.20 123.75 2eej s ILE 35 Ca -0.05 1.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 2eej s ILE 35 Cb -0.01 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2eej s ILE 35 CO -0.04 0.26 0.27 -0.75 0.00 0.00 0.00 174.94 174.69 2eej s LYS 36 N 0.94 0.78 -0.87 2.79 2.20 0.31 -3.46 119.74 122.43 2eej s LYS 36 Ca 0.29 -0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 2eej s LYS 36 Cb -0.16 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2eej s LYS 36 CO 0.12 -0.25 0.76 0.39 -0.36 0.00 0.00 175.35 176.02 2eej n GLU 37 N 0.58 -5.12 -3.09 4.03 1.02 -1.26 -1.06 120.64 115.74 2eej n GLU 37 Ca -0.19 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 2eej n GLU 37 Cb 0.59 -4.67 -0.06 0.00 -0.02 0.00 0.00 31.44 27.28 2eej n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eej s VAL 38 N -3.20 4.89 1.12 2.62 0.11 -1.26 -4.22 120.40 120.45 2eej s VAL 38 Ca 0.38 0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 60.04 2eej s VAL 38 Cb -0.17 -4.06 0.25 0.00 -1.53 0.00 0.00 36.38 30.87 2eej s VAL 38 CO 0.47 -0.25 1.07 -1.10 -3.33 0.00 0.00 175.10 171.96 2eej s GLN 39 N 2.71 -0.52 -0.25 1.54 -1.52 -1.26 -4.93 119.66 115.43 2eej s GLN 39 Ca 0.26 0.44 -0.09 0.00 -1.95 0.00 0.00 55.36 54.02 2eej s GLN 39 Cb -0.15 -1.63 -0.04 0.00 -0.22 0.00 0.00 33.01 30.97 2eej s GLN 39 CO 0.14 -3.35 0.11 0.21 -0.25 0.00 0.00 175.29 172.15 2eej s LYS 40 N -4.92 3.81 0.00 2.91 2.47 -1.26 -4.27 119.74 118.48 2eej s LYS 40 Ca 0.67 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 2eej s LYS 40 Cb -0.18 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.75 2eej s LYS 40 CO 0.59 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.40 2eej n GLY 41 N 4.77 0.24 0.00 5.54 0.00 -1.26 -5.06 105.19 109.42 2eej n GLY 41 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2eej n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eej n GLY 42 N -1.82 -1.23 0.23 -0.02 0.00 -1.26 -4.63 105.19 96.46 2eej n GLY 42 Ca 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 2eej n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej h PRO 43 N 0.00 0.61 -0.07 1.61 0.13 -1.93 -1.67 132.00 130.67 2eej h PRO 43 Ca 0.00 -0.32 -0.07 0.00 -0.87 0.00 0.00 66.00 64.74 2eej h PRO 43 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2eej h PRO 43 CO 0.00 0.92 -0.21 0.00 -0.23 0.00 0.00 178.00 178.48 2eej h ALA 44 N 1.04 0.12 0.84 -0.56 0.00 -1.91 -2.88 119.26 115.91 2eej h ALA 44 Ca 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2eej h ALA 44 Cb 0.94 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2eej h ALA 44 CO 0.08 0.09 -0.40 0.22 0.00 0.00 0.00 179.25 179.24 2eej h ASP 45 N -0.23 -0.95 -0.93 0.00 1.82 -1.75 -0.87 116.42 113.51 2eej h ASP 45 Ca -0.01 0.03 0.27 0.00 -0.39 0.00 0.00 57.03 56.93 2eej h ASP 45 Cb 0.83 0.25 -0.14 0.00 0.68 0.00 0.00 39.33 40.95 2eej h ASP 45 CO 0.05 -0.60 0.36 -0.07 -1.61 0.00 0.00 179.24 177.36 2eej h LEU 46 N -1.28 0.19 -1.11 2.28 3.38 -1.44 0.65 115.31 117.99 2eej h LEU 46 Ca -0.12 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2eej h LEU 46 Cb 0.86 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2eej h LEU 46 CO 0.19 -0.15 0.40 0.00 0.09 0.00 0.00 178.44 178.97 2eej h ALA 47 N 1.81 1.32 0.00 1.53 0.00 -1.40 -3.46 119.26 119.05 2eej h ALA 47 Ca 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2eej h ALA 47 Cb 1.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2eej h ALA 47 CO -0.64 0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2eej n GLY 48 N -1.19 1.91 3.87 0.00 0.00 0.23 -4.93 105.19 105.07 2eej n GLY 48 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2eej n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 49 N 0.00 4.01 0.40 0.99 1.43 -0.37 -5.02 118.68 120.11 2eej s LEU 49 Ca 0.00 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2eej s LEU 49 Cb 0.00 -3.92 -0.07 0.00 0.03 0.00 0.00 46.19 42.22 2eej s LEU 49 CO 0.00 -0.24 0.01 -0.70 0.23 0.00 0.00 176.35 175.65 2eej s GLU 50 N -3.30 1.97 0.00 1.70 -6.30 -1.26 -4.55 118.70 106.96 2eej s GLU 50 Ca 0.51 -2.04 0.03 0.00 -2.50 0.00 0.00 54.97 50.97 2eej s GLU 50 Cb -0.10 -1.70 0.19 0.00 0.00 0.00 0.00 34.13 32.52 2eej s GLU 50 CO 0.24 -0.02 1.01 -0.40 0.02 0.00 0.00 175.26 176.11 2eej n ASP 51 N -0.97 0.00 0.00 -1.70 5.68 -1.26 -2.52 116.55 115.78 2eej n ASP 51 Ca -0.05 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 2eej n ASP 51 Cb 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2eej n GLU 52 N -0.56 -0.32 -1.99 0.11 -0.58 -1.22 -4.41 120.64 111.67 2eej n GLU 52 Ca 0.02 -0.46 -0.33 0.00 -0.42 0.00 0.00 57.16 55.97 2eej n GLU 52 Cb 0.01 -0.85 0.02 0.00 -0.57 0.00 0.00 31.44 30.05 2eej n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2eej s ASP 53 N -0.09 5.60 0.00 1.62 1.11 -1.05 -4.79 116.67 119.07 2eej s ASP 53 Ca 0.00 1.89 0.07 0.00 0.18 0.00 0.00 52.55 54.69 2eej s ASP 53 Cb 0.00 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 2eej s ASP 53 CO 0.00 -1.29 -0.21 0.68 1.18 0.00 0.00 175.17 175.53 2eej s VAL 54 N -2.37 1.67 -0.92 -1.27 -7.23 -1.26 -0.02 120.40 109.00 2eej s VAL 54 Ca 0.65 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 2eej s VAL 54 Cb -0.18 -1.41 0.06 0.00 0.56 0.00 0.00 36.38 35.41 2eej s VAL 54 CO 0.37 0.39 1.35 -0.63 -0.31 0.00 0.00 175.10 176.27 2eej s ILE 55 N -0.59 3.98 -0.00 -0.62 1.09 -1.25 -3.88 121.20 119.94 2eej s ILE 55 Ca 0.08 -0.55 -0.04 0.00 -1.10 0.00 0.00 60.65 59.04 2eej s ILE 55 Cb -0.08 -4.98 -0.02 0.00 -1.06 0.00 0.00 42.46 36.32 2eej s ILE 55 CO 0.00 -1.85 0.63 0.40 -0.10 0.00 0.00 174.94 174.02 2eej h ILE 56 N 6.47 0.00 -1.54 2.92 2.04 -0.84 -3.41 117.51 123.15 2eej h ILE 56 Ca 0.06 -0.07 -0.57 0.00 1.00 0.00 0.00 64.86 65.27 2eej h ILE 56 Cb 1.02 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.02 2eej h ILE 56 CO 1.35 0.00 -0.49 -1.61 0.00 0.00 0.00 178.15 177.39 2eej s GLU 57 N -2.48 2.22 -0.24 2.37 2.02 -1.24 -1.70 118.70 119.66 2eej s GLU 57 Ca -0.02 -1.87 -0.07 0.00 0.02 0.00 0.00 54.97 53.03 2eej s GLU 57 Cb 0.00 -1.97 0.11 0.00 0.10 0.00 0.00 34.13 32.38 2eej s GLU 57 CO 0.06 -0.13 0.49 0.54 0.02 0.00 0.00 175.26 176.24 2eej s VAL 58 N -2.61 -0.77 -1.99 2.63 0.11 -0.61 -3.22 120.40 113.93 2eej s VAL 58 Ca 0.40 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.54 2eej s VAL 58 Cb 0.04 -0.79 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2eej s VAL 58 CO 0.22 0.03 0.00 0.59 -3.33 0.00 0.00 175.10 172.61 2eej n ASN 59 N 5.41 -5.71 -1.32 3.54 3.02 -1.19 -3.12 115.26 115.89 2eej n ASN 59 Ca -0.09 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2eej n ASN 59 Cb 0.49 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 60 N -0.72 0.88 3.64 7.41 0.00 -1.26 -5.10 105.19 110.04 2eej n GLY 60 Ca -0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 2eej n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s VAL 61 N -2.88 0.00 -0.02 1.61 0.11 -1.18 -5.14 120.40 112.91 2eej s VAL 61 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2eej s VAL 61 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 2eej s VAL 61 CO 0.00 0.00 1.48 0.21 -3.33 0.00 0.00 175.10 173.46 2eej s ASN 62 N 1.04 6.78 -0.07 3.54 3.84 -1.26 -1.58 114.94 127.23 2eej s ASN 62 Ca -0.06 2.15 0.13 0.00 0.21 0.00 0.00 52.86 55.30 2eej s ASN 62 Cb -0.04 -2.55 0.26 0.00 -0.55 0.00 0.00 41.25 38.37 2eej s ASN 62 CO -0.13 -0.79 1.12 1.33 -2.79 0.00 0.00 177.10 175.84 2eej n VAL 63 N 4.91 0.88 -0.03 -5.21 0.24 -0.69 -4.84 118.33 113.60 2eej n VAL 63 Ca 0.14 -1.44 -0.12 0.00 -2.04 0.00 0.00 64.34 60.88 2eej n VAL 63 Cb 0.43 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.04 2eej n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2eej h LEU 64 N 0.46 0.19 -0.51 1.34 3.38 -1.77 -2.86 115.31 115.54 2eej h LEU 64 Ca -0.06 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2eej h LEU 64 Cb 1.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2eej h LEU 64 CO 0.03 0.50 0.00 0.44 0.09 0.00 0.00 178.44 179.50 2eej h ASP 65 N -0.12 0.00 -4.12 -0.43 5.19 -1.92 0.70 116.42 115.72 2eej h ASP 65 Ca 0.03 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.93 2eej h ASP 65 Cb 0.41 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.01 2eej h ASP 65 CO 0.01 0.00 0.42 -1.61 -3.12 0.00 0.00 179.24 174.94 2eej s GLU 66 N -3.28 3.15 0.00 3.56 8.01 -1.08 -4.67 118.70 124.39 2eej s GLU 66 Ca 0.06 1.56 0.00 0.00 0.01 0.00 0.00 54.97 56.60 2eej s GLU 66 Cb 0.10 -1.98 0.00 0.00 -4.31 0.00 0.00 34.13 27.94 2eej s GLU 66 CO 0.50 -1.00 0.00 -0.35 0.01 0.00 0.00 175.26 174.42 2eej n PRO 67 N -1.67 -0.97 0.06 0.39 -0.04 -1.26 -3.58 135.00 127.93 2eej n PRO 67 Ca 0.11 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 2eej n PRO 67 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 2eej n PRO 67 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2eej h TYR 68 N -1.49 0.52 0.00 0.54 5.03 -1.96 -2.95 116.97 116.65 2eej h TYR 68 Ca 0.00 -0.38 -0.05 0.00 2.58 0.00 0.00 58.73 60.89 2eej h TYR 68 Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 2eej h TYR 68 CO 0.00 1.47 -0.22 0.93 -1.32 0.00 0.00 178.16 179.02 2eej h GLU 69 N 0.08 0.00 0.00 1.82 5.08 -1.99 -1.12 114.58 118.45 2eej h GLU 69 Ca -0.28 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2eej h GLU 69 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 2eej h GLU 69 CO 0.16 0.22 -0.25 0.87 -1.00 0.00 0.00 179.01 179.01 2eej h LYS 70 N 0.00 0.00 -0.33 2.33 1.79 -1.94 -3.07 116.57 115.35 2eej h LYS 70 Ca -0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2eej h LYS 70 Cb 0.52 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 2eej h LYS 70 CO 0.03 0.73 0.16 -0.39 -1.08 0.00 0.00 179.45 178.89 2eej h VAL 71 N -1.00 0.97 -0.00 0.50 -1.51 -1.50 -2.15 116.25 111.56 2eej h VAL 71 Ca -0.06 -0.11 0.02 0.00 -1.23 0.00 0.00 66.70 65.32 2eej h VAL 71 Cb 0.81 0.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 2eej h VAL 71 CO -0.04 0.06 -0.11 1.62 -1.23 0.00 0.00 177.57 177.88 2eej h VAL 72 N 0.33 0.73 -0.89 7.19 3.04 -1.37 -0.66 116.25 124.61 2eej h VAL 72 Ca 0.14 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.99 2eej h VAL 72 Cb 0.06 0.73 -0.07 0.00 -2.01 0.00 0.00 31.29 30.00 2eej h VAL 72 CO -0.11 0.00 0.58 -0.78 -1.01 0.00 0.00 177.57 176.25 2eej h ASP 73 N -0.18 0.60 0.11 3.17 1.82 -1.40 0.20 116.42 120.74 2eej h ASP 73 Ca 0.04 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2eej h ASP 73 Cb 0.23 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.17 2eej h ASP 73 CO -0.11 0.28 -0.05 0.03 -1.61 0.00 0.00 179.24 177.78 2eej h ARG 74 N 0.62 -0.15 -0.35 0.28 3.08 -0.69 0.41 114.38 117.58 2eej h ARG 74 Ca 0.46 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.53 2eej h ARG 74 Cb 0.84 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 2eej h ARG 74 CO -0.21 0.28 0.20 0.82 -1.07 0.00 0.00 179.97 179.99 2eej h ILE 75 N -0.63 1.03 -0.15 2.04 2.04 -0.44 -1.88 117.51 119.51 2eej h ILE 75 Ca -0.02 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2eej h ILE 75 Cb 0.50 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2eej h ILE 75 CO 0.03 0.07 -0.18 1.56 0.00 0.00 0.00 178.15 179.63 2eej h GLN 76 N 0.41 0.39 -0.95 2.37 1.08 -0.69 -3.11 115.11 114.60 2eej h GLN 76 Ca 0.14 -0.22 0.21 0.00 -1.45 0.00 0.00 58.65 57.33 2eej h GLN 76 Cb 0.01 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.38 2eej h GLN 76 CO -0.07 0.78 0.62 1.03 -0.95 0.00 0.00 178.83 180.24 2eej h SER 77 N 0.01 0.48 -0.95 1.46 0.87 -0.02 -1.84 113.55 113.57 2eej h SER 77 Ca 0.02 0.06 0.19 0.00 -1.23 0.00 0.00 61.79 60.83 2eej h SER 77 Cb 0.73 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 62.48 2eej h SER 77 CO 0.04 0.18 -0.22 -0.24 -0.53 0.00 0.00 176.83 176.06 2eej n SER 78 N -4.57 -0.33 0.00 6.23 2.88 -0.72 -4.90 113.62 112.21 2eej n SER 78 Ca 0.21 1.63 0.00 0.00 -1.33 0.00 0.00 58.87 59.38 2eej n SER 78 Cb 0.70 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eej n GLY 79 N -1.59 1.08 0.05 0.46 0.00 -0.69 -4.76 105.19 99.73 2eej n GLY 79 Ca 0.16 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2eej n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eej h LYS 80 N 0.00 0.00 -6.03 1.61 1.57 -1.90 -3.46 116.57 108.36 2eej h LYS 80 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2eej h LYS 80 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 2eej h LYS 80 CO 0.00 0.00 -0.57 0.54 -0.57 0.00 0.00 179.45 178.85 2eej s ASN 81 N -5.09 5.71 -0.12 0.86 4.22 -1.26 -0.15 114.94 119.12 2eej s ASN 81 Ca -0.05 0.12 -0.10 0.00 -2.14 0.00 0.00 52.86 50.69 2eej s ASN 81 Cb 0.01 -1.63 0.03 0.00 1.28 0.00 0.00 41.25 40.94 2eej s ASN 81 CO 0.07 0.24 0.31 0.54 -2.04 0.00 0.00 177.10 176.22 2eej s VAL 82 N -1.26 -0.00 -0.27 3.54 0.11 -1.06 -4.86 120.40 116.60 2eej s VAL 82 Ca 0.25 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.18 2eej s VAL 82 Cb -0.12 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2eej s VAL 82 CO 0.17 0.01 0.32 -0.89 -3.33 0.00 0.00 175.10 171.37 2eej s THR 83 N 0.28 5.22 -0.03 5.04 2.01 -1.26 -1.26 115.64 125.63 2eej s THR 83 Ca -0.01 0.46 0.07 0.00 0.31 0.00 0.00 61.69 62.52 2eej s THR 83 Cb -0.03 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2eej s THR 83 CO -0.01 0.19 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.12 2eej s LEU 84 N 1.90 2.04 -0.25 4.42 1.02 -1.20 -3.18 118.68 123.43 2eej s LEU 84 Ca 0.13 -0.44 -0.05 0.00 0.02 0.00 0.00 54.13 53.79 2eej s LEU 84 Cb -0.16 -1.24 0.00 0.00 0.02 0.00 0.00 46.19 44.82 2eej s LEU 84 CO 0.10 0.26 0.01 -0.22 0.02 0.00 0.00 176.35 176.52 2eej s LEU 85 N -0.39 3.31 0.17 1.79 0.20 -1.20 -3.19 118.68 119.38 2eej s LEU 85 Ca 0.04 -0.55 0.10 0.00 0.69 0.00 0.00 54.13 54.42 2eej s LEU 85 Cb -0.11 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 2eej s LEU 85 CO 0.01 -0.09 -0.17 0.68 -0.29 0.00 0.00 176.35 176.49 2eej s VAL 86 N 1.48 2.79 -0.15 1.68 -7.23 -1.04 -0.05 120.40 117.88 2eej s VAL 86 Ca 0.04 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.39 2eej s VAL 86 Cb -0.16 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2eej s VAL 86 CO -0.01 -0.08 -0.04 0.00 -0.31 0.00 0.00 175.10 174.66 2eej n GLY 88 N 3.50 1.08 3.14 0.00 0.00 -1.26 -4.64 105.19 107.02 2eej n GLY 88 Ca -0.17 0.86 -0.37 0.00 0.00 0.00 0.00 46.02 46.33 2eej n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2eej s LYS 89 N 3.22 2.11 -0.15 1.61 2.20 -1.26 -5.06 119.74 122.41 2eej s LYS 89 Ca 0.93 -1.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.42 2eej s LYS 89 Cb -0.87 -3.66 -0.06 0.00 -1.51 0.00 0.00 37.83 31.72 2eej s LYS 89 CO 0.56 -1.10 2.16 0.36 -0.36 0.00 0.00 175.35 176.96 2eej n LYS 90 N 4.64 2.18 -3.73 4.03 2.85 -1.26 -4.94 118.16 121.91 2eej n LYS 90 Ca -0.03 0.66 -0.12 0.00 -1.05 0.00 0.00 58.31 57.77 2eej n LYS 90 Cb 0.41 -3.15 -0.13 0.00 -0.65 0.00 0.00 35.03 31.51 2eej n LYS 90 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2eej s SER 91 N 7.26 -0.27 0.08 -5.58 1.04 -1.26 -5.12 113.70 109.84 2eej s SER 91 Ca 0.98 0.53 -0.37 0.00 0.48 0.00 0.00 55.95 57.57 2eej s SER 91 Cb -0.38 0.43 -0.17 0.00 0.10 0.00 0.00 66.02 66.00 2eej s SER 91 CO 0.38 -0.16 1.26 0.61 0.98 0.00 0.00 173.24 176.31 2eej n GLY 92 N 4.10 0.26 0.16 7.32 0.00 -1.26 -4.86 105.19 110.91 2eej n GLY 92 Ca -0.24 0.70 0.01 0.00 0.00 0.00 0.00 46.02 46.49 2eej n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej h PRO 93 N 4.11 0.00 -5.77 1.61 0.13 -2.01 -3.42 132.00 126.65 2eej h PRO 93 Ca -0.48 -0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 2eej h PRO 93 Cb 1.36 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 2eej h PRO 93 CO 0.74 0.49 0.44 0.45 -0.23 0.00 0.00 178.00 179.89 2eej s SER 94 N -6.89 6.82 -0.78 1.44 0.15 -1.26 -5.00 113.70 108.17 2eej s SER 94 Ca -0.02 1.01 0.01 0.00 0.70 0.00 0.00 55.95 57.66 2eej s SER 94 Cb 0.14 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.21 2eej s SER 94 CO 0.74 -0.50 0.62 -0.44 1.20 0.00 0.00 173.24 174.87 2eej s SER 95 N 1.34 5.39 0.00 5.45 0.01 -1.26 -5.22 113.70 119.40 2eej s SER 95 Ca 0.34 -3.71 0.00 0.00 1.31 0.00 0.00 55.95 53.90 2eej s SER 95 Cb -0.15 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2eej s SER 95 CO 0.08 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.18