#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 1.61 -4.01 1.61 7.64 -1.26 -4.90 113.62 114.31 2eej n SER 2 Ca 0.00 1.13 -0.32 0.00 1.01 0.00 0.00 58.87 60.68 2eej n SER 2 Cb 0.00 -1.05 -0.09 0.00 -1.01 0.00 0.00 64.21 62.06 2eej n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eej s SER 3 N 2.33 5.40 -1.78 6.43 1.04 -1.26 -4.83 113.70 121.03 2eej s SER 3 Ca 0.96 -3.71 -0.16 0.00 0.48 0.00 0.00 55.95 53.52 2eej s SER 3 Cb -1.19 -1.78 0.16 0.00 0.10 0.00 0.00 66.02 63.31 2eej s SER 3 CO 0.65 -0.15 0.42 0.61 0.98 0.00 0.00 173.24 175.75 2eej n GLY 4 N 2.26 -0.32 3.15 7.32 0.00 -1.26 -4.87 105.19 111.47 2eej n GLY 4 Ca 0.19 0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 2eej n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eej s SER 5 N -3.60 5.58 1.07 1.61 1.04 -1.26 -5.08 113.70 113.06 2eej s SER 5 Ca 0.58 -2.79 -0.16 0.00 0.48 0.00 0.00 55.95 54.05 2eej s SER 5 Cb -0.34 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 63.99 2eej s SER 5 CO 1.02 -0.42 0.16 -1.54 0.98 0.00 0.00 173.24 173.44 2eej n SER 6 N 3.64 -2.85 0.00 7.02 3.41 -1.26 -4.86 113.62 118.71 2eej n SER 6 Ca 0.09 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2eej n SER 6 Cb 0.40 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2eej n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 7 N 2.32 -0.93 3.62 5.00 0.00 -1.26 -5.14 105.19 108.80 2eej n GLY 7 Ca 0.04 0.34 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 2eej n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 8 N 0.00 -0.62 -0.06 1.61 0.04 -1.26 -4.75 135.00 129.97 2eej s PRO 8 Ca 0.00 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.22 2eej s PRO 8 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2eej s PRO 8 CO 0.00 -3.35 -0.15 -1.59 0.04 0.00 0.00 177.00 171.94 2eej s LYS 9 N -5.23 1.82 -0.36 4.56 -2.85 0.75 -4.98 119.74 113.44 2eej s LYS 9 Ca 0.69 -0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 54.98 2eej s LYS 9 Cb -0.13 -1.53 -0.00 0.00 -2.06 0.00 0.00 37.83 34.11 2eej s LYS 9 CO 0.57 0.15 0.30 -1.17 0.10 0.00 0.00 175.35 175.29 2eej s LEU 10 N 0.32 4.67 -0.04 2.77 1.98 -1.26 -2.62 118.68 124.49 2eej s LEU 10 Ca -0.09 -0.51 0.05 0.00 -2.89 0.00 0.00 54.13 50.69 2eej s LEU 10 Cb -0.14 -2.21 -0.01 0.00 0.66 0.00 0.00 46.19 44.50 2eej s LEU 10 CO 0.03 -0.33 -0.19 0.00 -1.89 0.00 0.00 176.35 173.97 2eej s ARG 12 N -0.07 3.86 0.09 0.00 0.52 -1.26 -3.19 118.95 118.91 2eej s ARG 12 Ca -0.02 0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2eej s ARG 12 Cb -0.12 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2eej s ARG 12 CO 0.02 0.62 -0.11 -0.51 0.02 0.00 0.00 175.30 175.34 2eej s LEU 13 N -1.50 2.99 -0.19 2.53 1.43 -1.20 -4.85 118.68 117.90 2eej s LEU 13 Ca 0.29 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 2eej s LEU 13 Cb -0.15 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.34 2eej s LEU 13 CO 0.16 0.20 0.04 0.00 0.23 0.00 0.00 176.35 176.98 2eej s ALA 14 N -1.16 0.92 -0.16 4.21 0.00 -1.26 -3.47 121.76 120.84 2eej s ALA 14 Ca 0.20 -0.64 -0.37 0.00 0.00 0.00 0.00 51.96 51.15 2eej s ALA 14 Cb -0.11 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.72 2eej s ALA 14 CO 0.12 -1.17 1.79 1.17 0.00 0.00 0.00 175.76 177.67 2eej n LYS 15 N 5.08 1.67 0.00 0.00 4.81 -1.23 -4.63 118.16 123.87 2eej n LYS 15 Ca -0.09 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 2eej n LYS 15 Cb 0.47 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.15 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 4.20 -1.45 0.07 3.14 0.00 -1.26 -4.93 105.19 104.96 2eej n GLY 16 Ca 0.24 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 1.61 4.39 -2.00 -3.44 114.58 115.14 2eej h GLU 17 Ca 0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 2eej h GLU 17 Cb 0.00 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.58 2eej h GLU 17 CO 0.00 0.13 -2.51 0.27 -1.16 0.00 0.00 179.01 175.75 2eej n ASN 18 N -4.64 1.96 -3.36 1.42 6.94 -1.26 -5.10 115.26 111.22 2eej n ASN 18 Ca -0.08 0.34 -0.05 0.00 -0.02 0.00 0.00 54.58 54.78 2eej n ASN 18 Cb 0.25 -0.82 0.01 0.00 -2.36 0.00 0.00 39.78 36.86 2eej n ASN 18 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2eej s GLY 19 N -5.49 0.10 0.82 4.83 0.00 -1.26 -5.10 107.32 101.21 2eej s GLY 19 Ca -0.39 -0.34 -0.13 0.00 0.00 0.00 0.00 44.72 43.86 2eej s GLY 19 CO 0.49 1.25 1.03 -1.72 0.00 0.00 0.00 173.10 174.15 2eej n TYR 20 N -0.61 0.71 0.08 1.90 4.01 -1.26 -4.02 117.16 117.97 2eej n TYR 20 Ca -0.05 0.38 -0.18 0.00 -0.16 0.00 0.00 57.90 57.89 2eej n TYR 20 Cb 0.60 -2.04 -0.10 0.00 -0.31 0.00 0.00 39.34 37.48 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 -0.98 0.56 -1.75 2.72 0.00 -1.92 -3.46 103.07 98.24 2eej h GLY 21 Ca -0.46 -1.13 -0.49 0.00 0.00 0.00 0.00 47.33 45.25 2eej h GLY 21 CO 0.44 1.00 0.20 -0.11 0.00 0.00 0.00 176.54 178.07 2eej s PHE 22 N -3.04 3.50 0.04 5.60 -0.71 -1.26 -3.71 117.98 118.40 2eej s PHE 22 Ca -0.07 0.88 0.01 0.00 -1.04 0.00 0.00 56.93 56.71 2eej s PHE 22 Cb 0.07 -2.52 -0.03 0.00 -1.21 0.00 0.00 43.02 39.34 2eej s PHE 22 CO 0.90 -0.52 -0.05 -1.01 -1.34 0.00 0.00 175.22 173.20 2eej s HIS 23 N -2.91 0.49 0.33 3.49 3.76 0.15 -4.94 115.29 115.66 2eej s HIS 23 Ca 0.51 -0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 54.67 2eej s HIS 23 Cb -0.11 -0.32 -0.08 0.00 1.11 0.00 0.00 32.58 33.18 2eej s HIS 23 CO 0.47 -0.17 0.72 -0.51 -0.85 0.00 0.00 174.74 174.40 2eej s LEU 24 N -1.80 4.04 -0.18 0.89 1.02 -1.26 -0.13 118.68 121.25 2eej s LEU 24 Ca -0.09 1.22 -0.07 0.00 0.02 0.00 0.00 54.13 55.21 2eej s LEU 24 Cb -0.07 -4.03 0.08 0.00 0.02 0.00 0.00 46.19 42.19 2eej s LEU 24 CO -0.02 -0.22 0.39 0.21 0.02 0.00 0.00 176.35 176.73 2eej s ASN 25 N -2.41 -0.19 0.07 2.29 2.47 -0.74 -4.89 114.94 111.54 2eej s ASN 25 Ca 0.53 0.90 -0.31 0.00 0.42 0.00 0.00 52.86 54.41 2eej s ASN 25 Cb -0.10 1.14 -0.06 0.00 -1.45 0.00 0.00 41.25 40.78 2eej s ASN 25 CO 0.20 -0.23 1.22 0.00 -3.72 0.00 0.00 177.10 174.57 2eej s ALA 26 N 2.38 3.41 -0.63 1.71 0.00 -1.26 -3.24 121.76 124.12 2eej s ALA 26 Ca -0.03 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 2eej s ALA 26 Cb -0.11 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.72 2eej s ALA 26 CO -0.12 -0.44 0.47 0.42 0.00 0.00 0.00 175.76 176.08 2eej s ILE 27 N 0.99 4.00 -0.35 0.00 -1.09 -1.26 -5.04 121.20 118.45 2eej s ILE 27 Ca 0.59 -2.77 -0.32 0.00 -2.23 0.00 0.00 60.65 55.92 2eej s ILE 27 Cb -0.30 -3.59 -0.14 0.00 -1.58 0.00 0.00 42.46 36.85 2eej s ILE 27 CO 0.30 -0.88 1.40 0.54 -1.23 0.00 0.00 174.94 175.06 2eej n ARG 28 N 3.70 0.00 0.00 2.79 5.12 -1.26 -1.99 116.66 125.03 2eej n ARG 28 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2eej n ARG 28 Cb 0.40 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.63 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 4.55 2.90 3.86 -0.13 0.00 -1.26 -5.09 105.19 110.02 2eej n GLY 29 Ca 0.34 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 4.39 0.00 0.99 1.43 -0.84 -5.10 118.68 119.55 2eej s LEU 30 Ca 0.00 0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 53.68 2eej s LEU 30 Cb 0.00 -2.76 0.28 0.00 0.03 0.00 0.00 46.19 43.74 2eej s LEU 30 CO 0.00 0.24 1.00 -0.81 0.23 0.00 0.00 176.35 177.02 2eej n PRO 31 N 1.24 -2.97 0.00 1.29 -0.04 -1.26 -4.58 135.00 128.67 2eej n PRO 31 Ca -0.11 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2eej n PRO 31 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -4.17 0.98 3.48 0.55 0.00 0.25 -4.92 105.19 101.37 2eej n GLY 32 Ca 0.14 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2eej n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej s SER 33 N -4.00 2.61 0.01 1.61 0.01 -1.26 -4.69 113.70 107.99 2eej s SER 33 Ca 0.00 -1.67 -0.01 0.00 1.31 0.00 0.00 55.95 55.58 2eej s SER 33 Cb 0.00 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 2eej s SER 33 CO 0.00 -0.93 0.01 -0.36 0.41 0.00 0.00 173.24 172.36 2eej s PHE 34 N -3.26 0.15 -0.08 2.43 0.40 -1.20 -3.47 117.98 112.95 2eej s PHE 34 Ca 0.26 -0.30 -0.27 0.00 -0.60 0.00 0.00 56.93 56.02 2eej s PHE 34 Cb 0.03 -0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 2eej s PHE 34 CO 0.16 -0.15 0.87 0.42 0.70 0.00 0.00 175.22 177.22 2eej s ILE 35 N -0.99 4.91 0.04 0.64 1.01 0.41 -1.79 121.20 125.43 2eej s ILE 35 Ca -0.11 1.77 -0.10 0.00 0.00 0.00 0.00 60.65 62.21 2eej s ILE 35 Cb -0.07 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2eej s ILE 35 CO -0.00 0.13 0.21 -0.75 0.00 0.00 0.00 174.94 174.53 2eej s LYS 36 N 1.40 0.71 -0.91 2.79 2.20 0.81 -3.76 119.74 122.99 2eej s LYS 36 Ca 0.44 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 2eej s LYS 36 Cb -0.18 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2eej s LYS 36 CO 0.20 -0.21 0.76 0.39 -0.36 0.00 0.00 175.35 176.13 2eej n GLU 37 N 0.65 -5.06 -3.35 4.03 1.02 -1.26 -0.67 120.64 116.00 2eej n GLU 37 Ca -0.19 0.63 -0.40 0.00 -0.02 0.00 0.00 57.16 57.18 2eej n GLU 37 Cb 0.59 -5.00 -0.09 0.00 -0.02 0.00 0.00 31.44 26.92 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 -3.26 5.12 0.41 2.62 0.11 -1.26 -4.06 120.40 120.08 2eej s VAL 38 Ca 0.06 0.28 -0.24 0.00 -2.93 0.00 0.00 61.98 59.16 2eej s VAL 38 Cb -0.03 -3.83 -0.09 0.00 -1.53 0.00 0.00 36.38 30.90 2eej s VAL 38 CO 0.54 -0.07 1.08 -1.58 -3.33 0.00 0.00 175.10 171.74 2eej s GLN 39 N 2.15 4.08 -0.15 1.54 0.74 -1.24 -4.92 119.66 121.86 2eej s GLN 39 Ca 0.15 1.57 -0.29 0.00 0.05 0.00 0.00 55.36 56.84 2eej s GLN 39 Cb -0.16 -2.52 -0.01 0.00 1.10 0.00 0.00 33.01 31.42 2eej s GLN 39 CO 0.12 -0.23 1.07 0.21 -0.55 0.00 0.00 175.29 175.91 2eej s LYS 40 N -2.53 4.34 0.00 1.67 2.47 -1.26 -3.32 119.74 121.10 2eej s LYS 40 Ca 0.59 1.44 0.00 0.00 -1.56 0.00 0.00 55.97 56.44 2eej s LYS 40 Cb -0.23 -3.60 0.00 0.00 -1.46 0.00 0.00 37.83 32.54 2eej s LYS 40 CO 0.29 -0.48 0.00 0.41 0.16 0.00 0.00 175.35 175.74 2eej n GLY 41 N 3.25 2.19 0.00 5.54 0.00 -1.26 -5.06 105.19 109.86 2eej n GLY 41 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.44 -3.05 0.09 -0.02 0.00 -1.21 -4.47 105.19 96.09 2eej n GLY 42 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 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 0.16 -0.70 1.61 0.13 -1.89 -1.36 132.00 129.95 2eej h PRO 43 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2eej h PRO 43 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2eej h PRO 43 CO 0.00 0.60 0.45 0.00 -0.23 0.00 0.00 178.00 178.82 2eej h ALA 44 N 0.56 0.89 0.53 -0.56 0.00 -1.92 -2.53 119.26 116.25 2eej h ALA 44 Ca 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2eej h ALA 44 Cb 0.57 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2eej h ALA 44 CO 0.02 0.34 -0.26 0.22 0.00 0.00 0.00 179.25 179.56 2eej h ASP 45 N 0.96 -0.61 -0.97 0.00 3.58 -1.75 0.43 116.42 118.06 2eej h ASP 45 Ca 0.26 -0.05 0.31 0.00 0.42 0.00 0.00 57.03 57.97 2eej h ASP 45 Cb -0.08 0.16 -0.17 0.00 1.72 0.00 0.00 39.33 40.96 2eej h ASP 45 CO -0.05 -0.23 0.31 -0.07 -2.88 0.00 0.00 179.24 176.31 2eej h LEU 46 N -1.05 0.01 -0.73 2.28 3.38 -1.20 1.07 115.31 119.07 2eej h LEU 46 Ca -0.07 0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2eej h LEU 46 Cb 0.62 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2eej h LEU 46 CO 0.12 -0.30 -0.23 0.00 0.09 0.00 0.00 178.44 178.11 2eej h ALA 47 N 1.92 0.91 0.00 1.53 0.00 -1.41 -3.47 119.26 118.74 2eej h ALA 47 Ca 0.68 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2eej h ALA 47 Cb 1.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2eej h ALA 47 CO -0.77 0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.51 2eej n GLY 48 N -0.25 1.24 3.90 0.00 0.00 0.37 -4.95 105.19 105.51 2eej n GLY 48 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.31 0.00 0.99 1.43 0.10 -4.50 118.68 121.01 2eej s LEU 49 Ca 0.00 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2eej s LEU 49 Cb 0.00 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 2eej s LEU 49 CO 0.00 0.12 0.05 -0.62 0.23 0.00 0.00 176.35 176.13 2eej n GLU 50 N 0.36 0.97 -0.23 1.70 -0.58 -1.26 -4.52 120.64 117.08 2eej n GLU 50 Ca -0.05 -1.95 -0.01 0.00 -0.42 0.00 0.00 57.16 54.73 2eej n GLU 50 Cb 0.52 0.84 0.07 0.00 -0.57 0.00 0.00 31.44 32.30 2eej n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2eej n ASP 51 N -1.53 2.52 0.00 1.62 9.92 -1.26 -3.37 116.55 124.46 2eej n ASP 51 Ca -0.06 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 2eej n ASP 51 Cb 0.34 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2eej n GLU 52 N 0.14 2.50 -1.67 -1.24 1.02 -1.25 -4.75 120.64 115.39 2eej n GLU 52 Ca 0.09 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 2eej n GLU 52 Cb 0.59 -0.84 0.01 0.00 -0.02 0.00 0.00 31.44 31.17 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2eej n ASP 53 N -1.39 2.21 -4.14 1.62 8.00 -1.22 -4.72 116.55 116.93 2eej n ASP 53 Ca 0.00 1.11 -0.26 0.00 0.71 0.00 0.00 54.79 56.35 2eej n ASP 53 Cb 0.25 -1.45 -0.16 0.00 -0.02 0.00 0.00 41.12 39.74 2eej n ASP 53 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2eej s VAL 54 N -1.19 1.40 -0.81 2.53 -7.23 -1.26 -0.45 120.40 113.39 2eej s VAL 54 Ca 0.61 -0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 59.81 2eej s VAL 54 Cb -0.54 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 2eej s VAL 54 CO 0.58 0.40 1.74 -0.63 -0.31 0.00 0.00 175.10 176.89 2eej s ILE 55 N -0.04 3.54 -0.06 -0.62 1.09 -1.23 -4.08 121.20 119.80 2eej s ILE 55 Ca -0.02 -0.15 -0.06 0.00 -1.10 0.00 0.00 60.65 59.32 2eej s ILE 55 Cb -0.11 -4.30 -0.03 0.00 -1.06 0.00 0.00 42.46 36.96 2eej s ILE 55 CO 0.02 -1.24 0.27 0.40 -0.10 0.00 0.00 174.94 174.29 2eej h ILE 56 N 6.89 0.00 -2.42 2.92 2.04 -1.44 -3.40 117.51 122.10 2eej h ILE 56 Ca -0.05 -0.73 -0.55 0.00 1.00 0.00 0.00 64.86 64.53 2eej h ILE 56 Cb 1.06 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.00 2eej h ILE 56 CO 1.26 0.00 -0.73 -1.61 0.00 0.00 0.00 178.15 177.07 2eej s GLU 57 N -2.24 1.58 -0.05 2.37 2.02 -1.03 -2.78 118.70 118.57 2eej s GLU 57 Ca -0.03 -1.74 -0.07 0.00 0.02 0.00 0.00 54.97 53.15 2eej s GLU 57 Cb 0.00 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.74 2eej s GLU 57 CO 0.10 0.24 0.17 0.54 0.02 0.00 0.00 175.26 176.32 2eej s VAL 58 N -2.71 0.02 0.00 2.63 0.11 -0.79 -1.57 120.40 118.10 2eej s VAL 58 Ca 0.28 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2eej s VAL 58 Cb -0.02 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 2eej s VAL 58 CO 0.12 -0.11 0.00 0.59 -3.33 0.00 0.00 175.10 172.37 2eej n ASN 59 N 2.52 -0.65 -1.57 3.54 3.02 -1.19 -0.94 115.26 119.99 2eej n ASN 59 Ca -0.16 0.32 -0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2eej n ASN 59 Cb 0.58 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.32 0.31 3.64 7.41 0.00 -1.26 -5.10 105.19 109.87 2eej n GLY 60 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.01 0.00 -0.56 1.61 0.11 -0.12 -5.12 120.40 113.31 2eej s VAL 61 Ca 0.01 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 2eej s VAL 61 Cb -0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2eej s VAL 61 CO 0.03 0.00 1.19 0.21 -3.33 0.00 0.00 175.10 173.20 2eej s ASN 62 N 0.46 6.47 -0.19 3.54 3.84 -1.26 -1.88 114.94 125.92 2eej s ASN 62 Ca 0.01 0.18 0.15 0.00 0.21 0.00 0.00 52.86 53.41 2eej s ASN 62 Cb -0.05 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 38.52 2eej s ASN 62 CO -0.07 -1.45 1.31 1.33 -2.79 0.00 0.00 177.10 175.42 2eej n VAL 63 N 6.72 2.20 0.08 -5.21 0.24 -1.12 -4.75 118.33 116.49 2eej n VAL 63 Ca 0.09 -2.43 -0.12 0.00 -2.04 0.00 0.00 64.34 59.85 2eej n VAL 63 Cb 0.49 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.88 -0.51 -0.40 1.34 3.38 -1.83 -2.82 115.31 115.36 2eej h LEU 64 Ca 0.05 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2eej h LEU 64 Cb 1.27 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2eej h LEU 64 CO 0.15 -0.25 -0.10 0.44 0.09 0.00 0.00 178.44 178.77 2eej h ASP 65 N -0.32 0.77 -1.72 -0.43 3.32 -1.93 0.73 116.42 116.85 2eej h ASP 65 Ca 0.04 -0.36 -0.54 0.00 0.02 0.00 0.00 57.03 56.18 2eej h ASP 65 Cb 0.36 -0.21 0.16 0.00 0.22 0.00 0.00 39.33 39.86 2eej h ASP 65 CO -0.13 0.96 -0.98 -0.62 -1.72 0.00 0.00 179.24 176.74 2eej n GLU 66 N -4.34 0.00 0.00 3.56 -0.58 -1.06 -4.39 120.64 113.83 2eej n GLU 66 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2eej n GLU 66 Cb 0.36 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 2eej n GLU 66 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2eej n PRO 67 N 1.31 0.10 -0.00 3.49 -0.04 -1.26 -3.69 135.00 134.90 2eej n PRO 67 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2eej n PRO 67 Cb 0.40 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 2eej n PRO 67 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2eej n TYR 68 N -1.40 0.82 0.12 0.54 9.36 -1.26 -3.18 117.16 122.16 2eej n TYR 68 Ca 0.00 0.28 -0.03 0.00 3.32 0.00 0.00 57.90 61.47 2eej n TYR 68 Cb 0.00 -1.08 0.11 0.00 -0.63 0.00 0.00 39.34 37.74 2eej n TYR 68 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2eej h GLU 69 N 0.00 0.04 0.00 2.98 4.39 -1.99 -2.30 114.58 117.71 2eej h GLU 69 Ca -0.24 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 2eej h GLU 69 Cb 1.78 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2eej h GLU 69 CO 0.05 0.71 -0.10 0.87 -1.16 0.00 0.00 179.01 179.38 2eej h LYS 70 N 0.03 0.00 -0.88 2.33 6.56 -1.94 -2.54 116.57 120.13 2eej h LYS 70 Ca -0.01 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.66 2eej h LYS 70 Cb 1.21 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.81 2eej h LYS 70 CO 0.09 0.76 0.57 -0.39 -2.06 0.00 0.00 179.45 178.42 2eej h VAL 71 N -1.00 1.01 0.02 0.50 -1.51 -1.64 -1.20 116.25 112.43 2eej h VAL 71 Ca -0.03 -0.31 -0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2eej h VAL 71 Cb 0.79 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2eej h VAL 71 CO -0.02 0.17 -0.01 1.62 -1.23 0.00 0.00 177.57 178.10 2eej h VAL 72 N 0.92 1.37 -0.61 7.19 3.04 -1.54 -3.00 116.25 123.63 2eej h VAL 72 Ca 0.39 -1.28 0.15 0.00 -1.01 0.00 0.00 66.70 64.95 2eej h VAL 72 Cb 0.32 2.22 -0.03 0.00 -2.01 0.00 0.00 31.29 31.80 2eej h VAL 72 CO -0.16 0.33 0.42 -0.78 -1.01 0.00 0.00 177.57 176.37 2eej h ASP 73 N -0.60 0.16 -0.30 3.17 1.82 -1.08 0.10 116.42 119.70 2eej h ASP 73 Ca -0.00 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 2eej h ASP 73 Cb 0.56 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.54 2eej h ASP 73 CO 0.01 0.08 -0.09 0.03 -1.61 0.00 0.00 179.24 177.66 2eej h ARG 74 N 0.17 0.59 -0.07 0.28 3.08 -1.19 0.31 114.38 117.55 2eej h ARG 74 Ca 0.29 -0.23 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2eej h ARG 74 Cb 0.92 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2eej h ARG 74 CO -0.05 0.79 -0.66 0.82 -1.07 0.00 0.00 179.97 179.80 2eej h ILE 75 N 0.35 1.39 -0.01 2.04 2.04 -1.04 -2.94 117.51 119.34 2eej h ILE 75 Ca 0.07 -2.09 -0.10 0.00 1.00 0.00 0.00 64.86 63.75 2eej h ILE 75 Cb 0.59 2.07 0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2eej h ILE 75 CO 0.03 0.62 -0.38 1.56 0.00 0.00 0.00 178.15 179.98 2eej h GLN 76 N 0.21 0.28 0.00 2.37 4.20 -0.79 -3.15 115.11 118.22 2eej h GLN 76 Ca -0.02 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2eej h GLN 76 Cb 1.20 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2eej h GLN 76 CO 0.11 0.98 0.00 1.03 -0.67 0.00 0.00 178.83 180.28 2eej h SER 77 N -0.31 0.00 0.00 1.46 0.87 -0.43 -3.15 113.55 111.98 2eej h SER 77 Ca -0.04 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.32 2eej h SER 77 Cb 1.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.00 2eej h SER 77 CO 0.08 0.00 -0.17 -1.20 -0.53 0.00 0.00 176.83 175.00 2eej n SER 78 N -2.84 5.11 0.00 6.23 7.64 -1.11 -4.93 113.62 123.72 2eej n SER 78 Ca -0.02 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.42 2eej n SER 78 Cb 0.08 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eej n GLY 79 N 2.57 1.58 0.13 0.23 0.00 -1.19 -3.41 105.19 105.09 2eej n GLY 79 Ca 0.42 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.67 2eej n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eej n LYS 80 N 7.47 0.51 -2.48 1.61 4.01 -1.26 -4.90 118.16 123.13 2eej n LYS 80 Ca 0.00 0.20 -0.41 0.00 -0.51 0.00 0.00 58.31 57.59 2eej n LYS 80 Cb 0.00 -1.40 -0.04 0.00 -0.51 0.00 0.00 35.03 33.08 2eej n LYS 80 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2eej s ASN 81 N -5.97 7.20 -0.25 4.39 2.20 -1.22 -3.48 114.94 117.81 2eej s ASN 81 Ca -0.28 2.11 -0.10 0.00 -0.94 0.00 0.00 52.86 53.64 2eej s ASN 81 Cb 0.04 -2.60 0.10 0.00 -2.00 0.00 0.00 41.25 36.79 2eej s ASN 81 CO 0.42 -0.29 0.55 0.54 -2.94 0.00 0.00 177.10 175.39 2eej s VAL 82 N -0.02 -0.60 0.11 3.54 0.11 -1.23 -4.82 120.40 117.50 2eej s VAL 82 Ca 0.51 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.34 2eej s VAL 82 Cb -0.30 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 33.64 2eej s VAL 82 CO 0.34 0.03 0.92 -0.89 -3.33 0.00 0.00 175.10 172.17 2eej s THR 83 N 2.41 4.51 0.03 5.04 2.01 -1.26 -3.25 115.64 125.12 2eej s THR 83 Ca -0.06 1.99 0.04 0.00 0.31 0.00 0.00 61.69 63.97 2eej s THR 83 Cb -0.10 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2eej s THR 83 CO -0.16 0.34 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.22 2eej s LEU 84 N -0.13 2.14 -0.30 4.42 2.01 -1.19 -3.19 118.68 122.44 2eej s LEU 84 Ca 0.45 -0.40 0.02 0.00 0.01 0.00 0.00 54.13 54.20 2eej s LEU 84 Cb -0.23 -0.57 0.07 0.00 0.01 0.00 0.00 46.19 45.47 2eej s LEU 84 CO 0.29 0.04 -0.02 -0.22 1.01 0.00 0.00 176.35 177.46 2eej s LEU 85 N -0.96 4.07 0.14 1.79 0.20 -0.61 -3.07 118.68 120.25 2eej s LEU 85 Ca 0.02 -1.66 0.08 0.00 0.69 0.00 0.00 54.13 53.26 2eej s LEU 85 Cb -0.07 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 2eej s LEU 85 CO 0.01 -0.29 -0.09 0.68 -0.29 0.00 0.00 176.35 176.36 2eej s VAL 86 N 1.07 3.29 -0.07 1.68 -7.23 -1.08 -1.06 120.40 117.01 2eej s VAL 86 Ca -0.01 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2eej s VAL 86 Cb -0.20 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.17 2eej s VAL 86 CO -0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.63 2eej n GLY 88 N 3.89 0.73 3.61 0.00 0.00 -1.26 -4.64 105.19 107.52 2eej n GLY 88 Ca -0.23 -0.76 -0.54 0.00 0.00 0.00 0.00 46.02 44.50 2eej n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2eej n LYS 89 N 0.00 1.07 -3.13 1.61 3.00 -1.26 -4.97 118.16 114.49 2eej n LYS 89 Ca 0.00 0.39 -0.20 0.00 -0.00 0.00 0.00 58.31 58.50 2eej n LYS 89 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 35.03 33.03 2eej n LYS 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2eej n LYS 90 N 2.99 0.70 -1.01 1.64 5.02 -1.26 -4.94 118.16 121.30 2eej n LYS 90 Ca 0.20 -2.90 -0.13 0.00 -2.02 0.00 0.00 58.31 53.46 2eej n LYS 90 Cb 0.17 0.03 -0.10 0.00 -0.02 0.00 0.00 35.03 35.11 2eej n LYS 90 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eej n SER 91 N -2.15 5.61 -3.64 4.39 2.88 -1.26 -4.81 113.62 114.64 2eej n SER 91 Ca 0.07 -2.67 -0.02 0.00 -1.33 0.00 0.00 58.87 54.92 2eej n SER 91 Cb 0.54 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.68 2eej n SER 91 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eej s GLY 92 N 1.51 -0.11 0.00 0.46 0.00 -1.26 -5.00 107.32 102.92 2eej s GLY 92 Ca 0.51 2.19 0.14 0.00 0.00 0.00 0.00 44.72 47.55 2eej s GLY 92 CO -0.05 0.77 1.45 -1.55 0.00 0.00 0.00 173.10 173.72 2eej n PRO 93 N 0.14 0.01 -1.52 2.90 -0.04 -1.26 -4.78 135.00 130.44 2eej n PRO 93 Ca 0.04 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.46 2eej n PRO 93 Cb 0.57 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.72 2eej n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2eej s SER 94 N -2.97 2.50 0.18 3.54 0.01 -1.26 -5.10 113.70 110.60 2eej s SER 94 Ca 0.07 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.80 2eej s SER 94 Cb 0.09 -0.88 0.02 0.00 0.21 0.00 0.00 66.02 65.45 2eej s SER 94 CO 0.26 -3.14 0.43 -0.94 0.41 0.00 0.00 173.24 170.25 2eej s SER 95 N -4.29 -0.15 0.00 2.44 1.04 -1.26 -4.84 113.70 106.64 2eej s SER 95 Ca 0.70 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2eej s SER 95 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2eej s SER 95 CO 0.54 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.38