#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 -3.33 -4.51 1.61 3.41 -1.26 -4.54 113.62 105.01 2eej n SER 2 Ca 0.00 0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.30 2eej n SER 2 Cb 0.00 -0.87 -0.10 0.00 -0.26 0.00 0.00 64.21 62.98 2eej n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2eej n SER 3 N 0.86 1.09 0.00 4.04 7.64 -1.26 -4.33 113.62 121.66 2eej n SER 3 Ca 0.01 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2eej n SER 3 Cb 0.62 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2eej n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eej n GLY 4 N 6.36 2.35 2.92 0.23 0.00 -1.26 -5.12 105.19 110.67 2eej n GLY 4 Ca 0.54 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 2.24 -0.07 1.61 1.04 -1.26 -4.98 113.70 112.27 2eej s SER 5 Ca 0.00 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.14 2eej s SER 5 Cb 0.00 -0.88 -0.06 0.00 0.10 0.00 0.00 66.02 65.17 2eej s SER 5 CO 0.00 -0.11 -0.02 -1.54 0.98 0.00 0.00 173.24 172.55 2eej n SER 6 N 4.91 3.43 0.00 7.02 3.41 -1.26 -4.95 113.62 126.19 2eej n SER 6 Ca -0.13 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2eej n SER 6 Cb 0.50 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 2.87 1.17 3.77 5.00 0.00 -1.26 -4.98 105.19 111.77 2eej n GLY 7 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 3.37 -0.03 1.61 0.04 -1.26 -4.24 135.00 134.50 2eej s PRO 8 Ca 0.00 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2eej s PRO 8 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2eej s PRO 8 CO 0.00 -0.83 0.08 -1.59 0.04 0.00 0.00 177.00 174.69 2eej s LYS 9 N -3.26 3.10 -0.20 4.56 -2.85 -0.54 -4.90 119.74 115.65 2eej s LYS 9 Ca 0.72 -0.43 -0.06 0.00 -1.00 0.00 0.00 55.97 55.20 2eej s LYS 9 Cb -0.24 -2.89 -0.03 0.00 -2.06 0.00 0.00 37.83 32.61 2eej s LYS 9 CO 0.27 0.67 0.03 -1.17 0.10 0.00 0.00 175.35 175.25 2eej s LEU 10 N -1.55 3.44 -0.05 2.77 1.98 -1.26 -3.02 118.68 120.98 2eej s LEU 10 Ca 0.21 -0.12 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 2eej s LEU 10 Cb -0.12 -1.88 0.03 0.00 0.66 0.00 0.00 46.19 44.88 2eej s LEU 10 CO 0.11 0.08 0.01 0.00 -1.89 0.00 0.00 176.35 174.67 2eej s ARG 12 N 1.68 4.55 0.13 0.00 0.52 -1.26 -3.96 118.95 120.61 2eej s ARG 12 Ca -0.00 1.49 0.07 0.00 -0.52 0.00 0.00 55.73 56.76 2eej s ARG 12 Cb -0.13 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2eej s ARG 12 CO -0.03 0.21 -0.04 -0.51 0.02 0.00 0.00 175.30 174.95 2eej s LEU 13 N -1.92 3.24 -0.15 2.53 1.43 -0.98 -4.80 118.68 118.03 2eej s LEU 13 Ca 0.49 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2eej s LEU 13 Cb -0.23 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.07 2eej s LEU 13 CO 0.29 0.14 0.01 0.00 0.23 0.00 0.00 176.35 177.03 2eej s ALA 14 N -1.47 0.97 0.25 4.21 0.00 -1.26 -3.47 121.76 121.00 2eej s ALA 14 Ca 0.25 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.35 2eej s ALA 14 Cb -0.10 -1.05 -0.12 0.00 0.00 0.00 0.00 23.12 21.85 2eej s ALA 14 CO 0.17 -0.92 1.63 1.17 0.00 0.00 0.00 175.76 177.81 2eej n LYS 15 N 5.06 2.65 0.00 0.00 4.81 -0.90 -4.55 118.16 125.23 2eej n LYS 15 Ca -0.09 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2eej n LYS 15 Cb 0.48 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.79 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 2.82 0.69 0.09 3.14 0.00 -1.24 -4.97 105.19 105.74 2eej n GLY 16 Ca 0.12 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2eej n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2eej h GLU 17 N 0.00 0.00 -1.32 1.61 4.81 -2.03 -3.38 114.58 114.28 2eej h GLU 17 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 2eej h GLU 17 Cb 0.00 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.07 2eej h GLU 17 CO 0.00 0.95 0.64 0.09 -0.73 0.00 0.00 179.01 179.95 2eej n ASN 18 N -4.49 7.15 -0.34 1.04 3.02 -1.26 -5.05 115.26 115.33 2eej n ASN 18 Ca -0.25 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.50 2eej n ASN 18 Cb 0.60 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2eej n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 19 N -0.75 -1.29 3.64 7.41 0.00 -1.26 -4.68 105.19 108.26 2eej n GLY 19 Ca 0.56 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 2eej n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2eej s TYR 20 N 0.00 2.30 0.23 1.61 2.02 -1.26 -3.60 117.35 118.65 2eej s TYR 20 Ca 0.00 0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 57.18 2eej s TYR 20 Cb 0.00 -3.85 0.32 0.00 -0.40 0.00 0.00 41.96 38.03 2eej s TYR 20 CO 0.00 -2.76 1.61 0.78 -1.57 0.00 0.00 175.55 173.62 2eej h GLY 21 N 10.82 0.58 -1.00 0.71 0.00 -1.93 -3.41 103.07 108.85 2eej h GLY 21 Ca -0.33 0.21 -0.47 0.00 0.00 0.00 0.00 47.33 46.75 2eej h GLY 21 CO 0.99 -0.28 0.22 -0.11 0.00 0.00 0.00 176.54 177.35 2eej s PHE 22 N -6.22 2.17 0.27 5.60 -0.71 -1.26 -4.45 117.98 113.39 2eej s PHE 22 Ca -0.14 1.13 0.03 0.00 -1.04 0.00 0.00 56.93 56.91 2eej s PHE 22 Cb 0.21 -3.21 -0.01 0.00 -1.21 0.00 0.00 43.02 38.80 2eej s PHE 22 CO 0.75 -2.69 0.30 0.72 -1.34 0.00 0.00 175.22 172.96 2eej n HIS 23 N -4.06 -0.90 -4.35 3.49 8.25 -0.12 -4.94 115.22 112.59 2eej n HIS 23 Ca 0.06 -2.07 -0.29 0.00 -0.26 0.00 0.00 57.72 55.16 2eej n HIS 23 Cb 0.56 0.32 -0.12 0.00 1.12 0.00 0.00 29.99 31.88 2eej n HIS 23 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2eej s LEU 24 N 0.00 2.56 -0.17 2.41 1.02 -1.26 -1.24 118.68 122.00 2eej s LEU 24 Ca 0.28 -0.67 -0.07 0.00 0.02 0.00 0.00 54.13 53.69 2eej s LEU 24 Cb 0.01 -1.39 0.08 0.00 0.02 0.00 0.00 46.19 44.90 2eej s LEU 24 CO 0.20 0.16 0.37 0.54 0.02 0.00 0.00 176.35 177.64 2eej s ASN 25 N -2.26 -0.12 -0.02 2.29 4.22 -0.96 -4.89 114.94 113.20 2eej s ASN 25 Ca 0.18 0.85 -0.30 0.00 -2.14 0.00 0.00 52.86 51.45 2eej s ASN 25 Cb -0.10 1.07 -0.04 0.00 1.28 0.00 0.00 41.25 43.46 2eej s ASN 25 CO 0.09 -0.23 1.19 0.00 -2.04 0.00 0.00 177.10 176.12 2eej s ALA 26 N 2.37 3.45 -1.50 3.54 0.00 -1.26 -3.67 121.76 124.69 2eej s ALA 26 Ca -0.02 0.68 0.29 0.00 0.00 0.00 0.00 51.96 52.90 2eej s ALA 26 Cb -0.12 -3.49 1.18 0.00 0.00 0.00 0.00 23.12 20.70 2eej s ALA 26 CO -0.11 -0.65 1.84 -0.89 0.00 0.00 0.00 175.76 175.94 2eej n ILE 27 N 4.40 0.00 -3.97 0.00 2.08 -1.26 -4.92 119.36 115.69 2eej n ILE 27 Ca 0.10 -0.04 -0.31 0.00 0.56 0.00 0.00 62.75 63.06 2eej n ILE 27 Cb 0.46 -0.14 0.01 0.00 -0.75 0.00 0.00 39.64 39.23 2eej n ILE 27 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2eej n ARG 28 N -1.09 -4.87 0.00 0.38 0.63 -1.26 -4.74 116.66 105.72 2eej n ARG 28 Ca 0.13 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 2eej n ARG 28 Cb 0.29 -5.33 0.00 0.00 0.45 0.00 0.00 32.46 27.87 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2eej n GLY 29 N -1.64 0.07 3.13 5.14 0.00 -1.26 -5.13 105.19 105.50 2eej n GLY 29 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.11 2.32 0.26 0.99 1.43 -1.26 -5.14 118.68 115.18 2eej s LEU 30 Ca 0.00 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 2eej s LEU 30 Cb 0.00 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.83 2eej s LEU 30 CO 0.00 -0.21 1.26 -2.16 0.23 0.00 0.00 176.35 175.47 2eej s PRO 31 N -2.15 4.43 0.00 1.29 0.04 -1.26 -4.79 135.00 132.56 2eej s PRO 31 Ca -0.02 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2eej s PRO 31 Cb -0.07 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2eej s PRO 31 CO 0.00 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2eej n GLY 32 N 1.56 2.32 3.84 0.56 0.00 -1.14 -4.95 105.19 107.38 2eej n GLY 32 Ca 0.02 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 2eej n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eej s SER 33 N 0.00 6.38 0.08 1.61 1.04 -1.26 -4.84 113.70 116.72 2eej s SER 33 Ca 0.00 1.59 0.10 0.00 0.48 0.00 0.00 55.95 58.12 2eej s SER 33 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 2eej s SER 33 CO 0.00 -0.75 -0.26 -0.36 0.98 0.00 0.00 173.24 172.84 2eej s PHE 34 N -2.70 2.26 -0.01 5.02 0.40 -1.24 -1.00 117.98 120.72 2eej s PHE 34 Ca 0.59 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 56.22 2eej s PHE 34 Cb -0.11 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2eej s PHE 34 CO 0.37 0.21 1.14 0.42 0.70 0.00 0.00 175.22 178.05 2eej s ILE 35 N -0.91 4.35 0.06 0.64 1.01 -0.22 -2.28 121.20 123.85 2eej s ILE 35 Ca 0.12 1.68 -0.13 0.00 0.00 0.00 0.00 60.65 62.32 2eej s ILE 35 Cb -0.10 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.31 2eej s ILE 35 CO 0.04 0.07 0.30 -0.75 0.00 0.00 0.00 174.94 174.59 2eej s LYS 36 N 1.60 0.84 -0.97 2.79 2.47 -0.37 -3.92 119.74 122.18 2eej s LYS 36 Ca 0.55 -0.58 -0.03 0.00 -1.56 0.00 0.00 55.97 54.35 2eej s LYS 36 Cb -0.25 0.36 0.00 0.00 -1.46 0.00 0.00 37.83 36.49 2eej s LYS 36 CO 0.25 -0.28 0.83 0.39 0.16 0.00 0.00 175.35 176.70 2eej n GLU 37 N 0.41 -5.51 -3.32 4.03 1.02 -1.26 -0.94 120.64 115.06 2eej n GLU 37 Ca -0.18 0.65 -0.40 0.00 -0.02 0.00 0.00 57.16 57.21 2eej n GLU 37 Cb 0.60 -5.10 -0.08 0.00 -0.02 0.00 0.00 31.44 26.84 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 -3.27 5.11 0.27 2.62 0.11 -1.26 -4.00 120.40 119.97 2eej s VAL 38 Ca 0.17 0.48 -0.28 0.00 -2.93 0.00 0.00 61.98 59.43 2eej s VAL 38 Cb -0.08 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 30.86 2eej s VAL 38 CO 0.56 -0.01 0.92 -1.58 -3.33 0.00 0.00 175.10 171.66 2eej s GLN 39 N 2.21 4.70 -0.09 1.54 0.74 -1.26 -4.95 119.66 122.55 2eej s GLN 39 Ca 0.17 1.37 -0.30 0.00 0.05 0.00 0.00 55.36 56.66 2eej s GLN 39 Cb -0.16 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 2eej s GLN 39 CO 0.11 0.42 1.40 0.21 -0.55 0.00 0.00 175.29 176.89 2eej s LYS 40 N -1.55 4.24 0.00 1.67 2.36 -1.26 -2.88 119.74 122.32 2eej s LYS 40 Ca 0.44 1.88 0.00 0.00 -2.55 0.00 0.00 55.97 55.75 2eej s LYS 40 Cb -0.22 -3.77 0.00 0.00 -1.05 0.00 0.00 37.83 32.79 2eej s LYS 40 CO 0.28 -0.70 0.00 0.41 1.55 0.00 0.00 175.35 176.89 2eej n GLY 41 N 3.75 1.64 0.00 5.54 0.00 -1.26 -5.06 105.19 109.80 2eej n GLY 41 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.20 -2.77 0.22 -0.02 0.00 -1.14 -4.55 105.19 96.74 2eej n GLY 42 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 0.74 0.32 1.61 0.13 -1.88 -1.56 132.00 131.36 2eej h PRO 43 Ca 0.00 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2eej h PRO 43 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2eej h PRO 43 CO 0.00 1.01 -0.15 0.00 -0.23 0.00 0.00 178.00 178.63 2eej h ALA 44 N 0.72 -0.43 0.63 -0.56 0.00 -1.92 -2.37 119.26 115.33 2eej h ALA 44 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2eej h ALA 44 Cb 0.87 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2eej h ALA 44 CO 0.07 -0.73 -0.30 0.22 0.00 0.00 0.00 179.25 178.51 2eej h ASP 45 N -0.45 -0.71 -0.98 0.00 1.82 -1.77 0.25 116.42 114.57 2eej h ASP 45 Ca -0.04 -0.01 0.23 0.00 -0.39 0.00 0.00 57.03 56.82 2eej h ASP 45 Cb 0.34 0.18 -0.19 0.00 0.68 0.00 0.00 39.33 40.35 2eej h ASP 45 CO 0.07 -0.43 -0.12 -0.07 -1.61 0.00 0.00 179.24 177.08 2eej h LEU 46 N -0.96 -0.72 -1.09 2.28 3.38 -1.30 1.44 115.31 118.34 2eej h LEU 46 Ca -0.09 0.29 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2eej h LEU 46 Cb 0.68 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2eej h LEU 46 CO 0.14 -0.34 -0.25 0.00 0.09 0.00 0.00 178.44 178.09 2eej h ALA 47 N 1.98 1.24 0.00 1.53 0.00 -1.31 -3.47 119.26 119.23 2eej h ALA 47 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2eej h ALA 47 Cb 0.95 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2eej h ALA 47 CO -0.97 0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2eej n GLY 48 N -0.50 0.99 3.87 0.00 0.00 0.49 -5.01 105.19 105.04 2eej n GLY 48 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.39 0.42 0.99 1.43 0.01 -5.00 118.68 120.91 2eej s LEU 49 Ca 0.00 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 53.92 2eej s LEU 49 Cb 0.00 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 2eej s LEU 49 CO 0.00 0.25 0.27 -0.70 0.23 0.00 0.00 176.35 176.39 2eej s GLU 50 N -1.62 2.35 -0.05 1.70 2.56 -1.26 -4.51 118.70 117.87 2eej s GLU 50 Ca 0.28 -1.72 0.03 0.00 0.00 0.00 0.00 54.97 53.55 2eej s GLU 50 Cb -0.14 -2.14 0.17 0.00 2.00 0.00 0.00 34.13 34.01 2eej s GLU 50 CO 0.15 -0.16 0.81 -0.25 -0.56 0.00 0.00 175.26 175.25 2eej n ASP 51 N -1.38 2.12 0.00 -1.70 9.92 -1.26 -3.23 116.55 121.03 2eej n ASP 51 Ca 0.01 -2.21 0.00 0.00 -0.53 0.00 0.00 54.79 52.06 2eej n ASP 51 Cb 0.63 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 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 0.13 0.75 -1.58 -1.24 -0.58 -1.25 -4.67 120.64 112.20 2eej n GLU 52 Ca 0.07 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.46 2eej n GLU 52 Cb 0.48 -0.94 0.08 0.00 -0.57 0.00 0.00 31.44 30.49 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 -1.78 4.51 -0.06 1.62 1.01 -1.20 -4.80 116.67 115.96 2eej s ASP 53 Ca 0.00 2.30 0.04 0.00 0.71 0.00 0.00 52.55 55.59 2eej s ASP 53 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2eej s ASP 53 CO 0.00 -2.05 -0.16 0.68 0.21 0.00 0.00 175.17 173.84 2eej s VAL 54 N -1.98 1.43 -0.86 -1.27 -7.23 -1.26 -1.05 120.40 108.17 2eej s VAL 54 Ca 0.74 -0.68 -0.25 0.00 -1.81 0.00 0.00 61.98 59.97 2eej s VAL 54 Cb -0.28 -1.25 -0.07 0.00 0.56 0.00 0.00 36.38 35.35 2eej s VAL 54 CO 0.43 0.42 2.05 -0.63 -0.31 0.00 0.00 175.10 177.05 2eej s ILE 55 N 0.31 3.35 -0.02 -0.62 1.09 -0.17 -3.82 121.20 121.32 2eej s ILE 55 Ca -0.10 -0.26 -0.20 0.00 -1.10 0.00 0.00 60.65 58.99 2eej s ILE 55 Cb -0.14 -3.78 -0.12 0.00 -1.06 0.00 0.00 42.46 37.36 2eej s ILE 55 CO 0.04 -0.74 0.83 0.40 -0.10 0.00 0.00 174.94 175.37 2eej h ILE 56 N 7.34 0.15 -2.77 2.92 2.04 -0.42 -3.39 117.51 123.38 2eej h ILE 56 Ca 0.05 -0.58 -0.47 0.00 1.00 0.00 0.00 64.86 64.87 2eej h ILE 56 Cb 1.02 0.24 -0.14 0.00 -0.74 0.00 0.00 36.82 37.19 2eej h ILE 56 CO 1.17 0.03 -0.67 -1.61 0.00 0.00 0.00 178.15 177.07 2eej s GLU 57 N -3.80 1.51 -0.07 2.37 2.02 -1.02 -3.11 118.70 116.60 2eej s GLU 57 Ca -0.11 -1.76 -0.09 0.00 0.02 0.00 0.00 54.97 53.03 2eej s GLU 57 Cb 0.01 -1.05 0.02 0.00 0.10 0.00 0.00 34.13 33.21 2eej s GLU 57 CO 0.34 0.01 0.23 0.54 0.02 0.00 0.00 175.26 176.40 2eej s VAL 58 N -3.09 0.02 -1.81 2.63 0.11 -0.85 -1.25 120.40 116.17 2eej s VAL 58 Ca 0.29 -0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 58.97 2eej s VAL 58 Cb 0.04 -0.37 0.23 0.00 -1.53 0.00 0.00 36.38 34.74 2eej s VAL 58 CO 0.11 -0.08 0.58 0.59 -3.33 0.00 0.00 175.10 172.97 2eej n ASN 59 N 2.59 -1.83 -2.75 3.54 3.02 -0.19 -1.29 115.26 118.35 2eej n ASN 59 Ca -0.15 -1.17 -0.05 0.00 -0.03 0.00 0.00 54.58 53.17 2eej n ASN 59 Cb 0.58 -1.60 0.02 0.00 -0.61 0.00 0.00 39.78 38.17 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 -1.04 -0.85 3.59 7.41 0.00 -1.26 -5.06 105.19 107.98 2eej n GLY 60 Ca 0.11 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.14 0.00 -0.28 1.61 0.11 -0.42 -5.14 120.40 113.15 2eej s VAL 61 Ca 0.16 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.96 2eej s VAL 61 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2eej s VAL 61 CO 0.56 0.00 0.89 0.21 -3.33 0.00 0.00 175.10 173.43 2eej s ASN 62 N -0.52 6.81 -0.09 3.54 3.84 -1.26 -2.00 114.94 125.26 2eej s ASN 62 Ca -0.01 0.92 0.12 0.00 0.21 0.00 0.00 52.86 54.10 2eej s ASN 62 Cb -0.02 -2.46 0.22 0.00 -0.55 0.00 0.00 41.25 38.44 2eej s ASN 62 CO 0.00 -0.65 1.11 1.33 -2.79 0.00 0.00 177.10 176.10 2eej n VAL 63 N 5.51 1.14 0.14 -5.21 0.24 -1.18 -4.84 118.33 114.13 2eej n VAL 63 Ca 0.07 -1.52 -0.13 0.00 -2.04 0.00 0.00 64.34 60.71 2eej n VAL 63 Cb 0.47 0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.20 -0.40 -0.55 1.34 3.38 -1.85 -2.88 115.31 114.54 2eej h LEU 64 Ca -0.02 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2eej h LEU 64 Cb 1.21 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2eej h LEU 64 CO 0.01 -0.24 -0.16 -0.78 0.09 0.00 0.00 178.44 177.36 2eej h ASP 65 N -0.36 1.01 -2.28 -0.43 3.58 -1.92 -3.01 116.42 113.01 2eej h ASP 65 Ca -0.01 -0.36 -0.59 0.00 0.42 0.00 0.00 57.03 56.50 2eej h ASP 65 Cb 0.32 -0.28 0.18 0.00 1.72 0.00 0.00 39.33 41.28 2eej h ASP 65 CO -0.02 1.15 -1.02 -0.62 -2.88 0.00 0.00 179.24 175.86 2eej n GLU 66 N -4.13 0.12 0.00 0.28 -0.58 -1.09 -4.82 120.64 110.43 2eej n GLU 66 Ca 0.01 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2eej n GLU 66 Cb 0.43 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 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 1.12 0.24 -0.01 3.49 -0.04 -1.26 -4.38 135.00 134.16 2eej n PRO 67 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 2eej n PRO 67 Cb 0.48 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.26 0.91 0.14 0.54 9.36 -1.26 -3.41 117.16 122.17 2eej n TYR 68 Ca 0.00 0.32 -0.01 0.00 3.32 0.00 0.00 57.90 61.53 2eej n TYR 68 Cb 0.00 -1.13 0.18 0.00 -0.63 0.00 0.00 39.34 37.76 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 0.01 0.10 2.98 4.39 -1.99 -2.39 114.58 117.69 2eej h GLU 69 Ca -0.26 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2eej h GLU 69 Cb 1.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2eej h GLU 69 CO 0.06 0.61 -0.05 0.87 -1.16 0.00 0.00 179.01 179.34 2eej h LYS 70 N 0.01 -0.13 -1.00 2.33 6.56 -1.94 -1.63 116.57 120.76 2eej h LYS 70 Ca -0.01 0.01 0.15 0.00 -1.06 0.00 0.00 60.65 59.74 2eej h LYS 70 Cb 1.06 0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 32.66 2eej h LYS 70 CO 0.08 0.16 0.62 -0.39 -2.06 0.00 0.00 179.45 177.87 2eej h VAL 71 N -0.99 0.83 -0.02 0.50 -1.51 -1.64 0.76 116.25 114.18 2eej h VAL 71 Ca -0.01 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.13 2eej h VAL 71 Cb 0.36 -0.15 0.00 0.00 -2.13 0.00 0.00 31.29 29.38 2eej h VAL 71 CO 0.02 0.16 -0.04 1.62 -1.23 0.00 0.00 177.57 178.11 2eej h VAL 72 N 0.90 1.45 -0.59 7.19 3.04 -1.54 -2.71 116.25 123.99 2eej h VAL 72 Ca 0.53 -1.38 0.08 0.00 -1.01 0.00 0.00 66.70 64.92 2eej h VAL 72 Cb 0.66 2.33 -0.04 0.00 -2.01 0.00 0.00 31.29 32.24 2eej h VAL 72 CO -0.31 0.37 0.39 0.44 -1.01 0.00 0.00 177.57 177.45 2eej h ASP 73 N -0.49 0.42 -0.29 3.17 3.32 -0.65 0.67 116.42 122.57 2eej h ASP 73 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2eej h ASP 73 Cb 0.62 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2eej h ASP 73 CO 0.01 0.26 -0.17 0.03 -1.72 0.00 0.00 179.24 177.65 2eej h ARG 74 N 0.47 0.62 -0.34 3.56 3.08 -0.85 0.37 114.38 121.29 2eej h ARG 74 Ca 0.26 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2eej h ARG 74 Cb 0.42 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2eej h ARG 74 CO -0.07 0.87 -0.18 0.82 -1.07 0.00 0.00 179.97 180.33 2eej h ILE 75 N 0.36 1.29 -0.14 2.04 2.04 -0.99 0.10 117.51 122.21 2eej h ILE 75 Ca 0.06 -1.31 -0.11 0.00 1.00 0.00 0.00 64.86 64.50 2eej h ILE 75 Cb 0.70 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2eej h ILE 75 CO 0.05 0.43 -0.33 1.56 0.00 0.00 0.00 178.15 179.85 2eej h GLN 76 N 0.51 0.48 -0.13 2.37 1.08 -0.91 -3.20 115.11 115.32 2eej h GLN 76 Ca 0.07 -0.32 -0.10 0.00 -1.45 0.00 0.00 58.65 56.86 2eej h GLN 76 Cb 0.73 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 2eej h GLN 76 CO 0.05 0.94 -0.34 1.03 -0.95 0.00 0.00 178.83 179.56 2eej h SER 77 N 0.09 0.27 -0.73 1.46 0.87 -0.27 -3.19 113.55 112.05 2eej h SER 77 Ca -0.00 -0.10 0.19 0.00 -1.23 0.00 0.00 61.79 60.65 2eej h SER 77 Cb 0.94 -0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 62.69 2eej h SER 77 CO 0.07 0.60 -0.03 -1.54 -0.53 0.00 0.00 176.83 175.41 2eej n SER 78 N -4.08 -0.12 0.00 6.23 3.41 0.36 -4.88 113.62 114.53 2eej n SER 78 Ca -0.01 1.24 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 2eej n SER 78 Cb 0.43 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 79 N -1.39 0.14 0.01 5.00 0.00 -1.21 -4.82 105.19 102.93 2eej n GLY 79 Ca 0.16 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 2eej n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2eej h LYS 80 N 0.00 0.00 -6.07 1.61 1.63 -1.91 -3.46 116.57 108.37 2eej h LYS 80 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 2eej h LYS 80 Cb 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 2eej h LYS 80 CO 0.00 0.00 -0.24 1.21 -3.45 0.00 0.00 179.45 176.97 2eej s ASN 81 N -3.77 6.67 0.03 4.20 3.84 -1.26 -2.12 114.94 122.53 2eej s ASN 81 Ca -0.02 0.82 -0.21 0.00 0.21 0.00 0.00 52.86 53.66 2eej s ASN 81 Cb 0.00 -2.19 0.04 0.00 -0.55 0.00 0.00 41.25 38.56 2eej s ASN 81 CO 0.03 0.22 0.47 0.54 -2.79 0.00 0.00 177.10 175.57 2eej s VAL 82 N -1.30 0.04 -0.21 -5.21 0.11 -1.23 -4.97 120.40 107.63 2eej s VAL 82 Ca 0.30 -0.32 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2eej s VAL 82 Cb -0.15 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2eej s VAL 82 CO 0.16 -0.18 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.78 2eej s THR 83 N -2.19 3.03 0.04 5.04 2.01 -1.26 -2.33 115.64 119.98 2eej s THR 83 Ca -0.07 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.39 2eej s THR 83 Cb -0.01 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 2eej s THR 83 CO 0.00 0.45 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.46 2eej s LEU 84 N 1.43 2.68 -0.26 4.42 1.02 -1.25 -1.03 118.68 125.69 2eej s LEU 84 Ca 0.06 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 53.83 2eej s LEU 84 Cb -0.14 -1.56 0.05 0.00 0.02 0.00 0.00 46.19 44.56 2eej s LEU 84 CO -0.06 0.26 -0.09 -0.22 0.02 0.00 0.00 176.35 176.26 2eej s LEU 85 N -1.44 3.38 0.38 1.79 0.20 -0.38 -3.71 118.68 118.90 2eej s LEU 85 Ca 0.15 -1.23 0.08 0.00 0.69 0.00 0.00 54.13 53.82 2eej s LEU 85 Cb -0.11 -1.59 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 2eej s LEU 85 CO 0.06 -0.18 0.18 0.68 -0.29 0.00 0.00 176.35 176.80 2eej s VAL 86 N 1.18 2.65 -0.14 1.68 -7.23 -1.17 0.34 120.40 117.71 2eej s VAL 86 Ca -0.06 -1.67 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2eej s VAL 86 Cb -0.19 -2.98 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 2eej s VAL 86 CO -0.05 -0.08 -0.09 0.00 -0.31 0.00 0.00 175.10 174.56 2eej s GLY 88 N 0.34 1.03 0.06 0.00 0.00 -1.26 -4.55 107.32 102.95 2eej s GLY 88 Ca -0.08 0.54 -0.16 0.00 0.00 0.00 0.00 44.72 45.02 2eej s GLY 88 CO 0.05 3.23 0.49 0.54 0.00 0.00 0.00 173.10 177.41 2eej s LYS 89 N 5.14 4.02 -0.05 2.90 1.02 -1.26 -5.01 119.74 126.50 2eej s LYS 89 Ca 0.79 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 57.28 2eej s LYS 89 Cb -0.27 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 2eej s LYS 89 CO 0.32 0.62 0.11 0.15 -0.92 0.00 0.00 175.35 175.63 2eej s LYS 90 N -1.36 0.07 1.16 1.68 1.02 -1.26 -5.10 119.74 115.95 2eej s LYS 90 Ca 0.29 0.27 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 2eej s LYS 90 Cb -0.17 -0.12 0.26 0.00 -0.52 0.00 0.00 37.83 37.28 2eej s LYS 90 CO 0.17 -0.12 1.10 -1.12 -0.92 0.00 0.00 175.35 174.46 2eej s SER 91 N 0.82 1.31 0.06 2.83 0.01 -1.26 -5.06 113.70 112.41 2eej s SER 91 Ca -0.06 0.77 0.08 0.00 1.31 0.00 0.00 55.95 58.05 2eej s SER 91 Cb -0.09 -1.13 -0.03 0.00 0.21 0.00 0.00 66.02 64.98 2eej s SER 91 CO -0.04 -3.90 -0.21 -0.83 0.41 0.00 0.00 173.24 168.67 2eej s GLY 92 N -3.77 1.54 0.00 3.44 0.00 -1.26 -5.00 107.32 102.28 2eej s GLY 92 Ca 0.69 -1.27 0.15 0.00 0.00 0.00 0.00 44.72 44.30 2eej s GLY 92 CO 0.57 -1.18 1.39 -1.55 0.00 0.00 0.00 173.10 172.32 2eej n PRO 93 N 1.43 0.31 -1.47 2.90 -0.04 -1.26 -4.72 135.00 132.15 2eej n PRO 93 Ca -0.16 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 2eej n PRO 93 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2eej n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eej n SER 94 N -1.19 0.05 -4.00 3.54 2.88 -1.26 -4.81 113.62 108.82 2eej n SER 94 Ca 0.09 -1.26 -0.39 0.00 -1.33 0.00 0.00 58.87 55.98 2eej n SER 94 Cb 0.10 -1.12 -0.00 0.00 -0.75 0.00 0.00 64.21 62.43 2eej n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eej n SER 95 N 12.23 -2.64 0.00 -3.46 7.64 -1.26 -5.28 113.62 120.85 2eej n SER 95 Ca 0.48 0.76 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2eej n SER 95 Cb 0.34 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2eej n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64