#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej s SER 2 N 0.00 -0.13 -0.25 1.61 0.15 -1.26 -5.07 113.70 108.75 2eej s SER 2 Ca 0.00 0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.67 2eej s SER 2 Cb 0.00 0.34 -0.11 0.00 -1.71 0.00 0.00 66.02 64.54 2eej s SER 2 CO 0.00 -0.20 -0.30 -1.20 1.20 0.00 0.00 173.24 172.73 2eej n SER 3 N 2.32 1.94 -3.57 5.45 7.64 -1.26 -4.89 113.62 121.25 2eej n SER 3 Ca -0.17 0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.77 2eej n SER 3 Cb 0.57 -0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2eej n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eej s GLY 4 N -5.29 1.13 0.32 0.23 0.00 -1.26 -4.99 107.32 97.46 2eej s GLY 4 Ca -0.35 -2.05 0.07 0.00 0.00 0.00 0.00 44.72 42.38 2eej s GLY 4 CO 0.48 1.86 1.59 1.48 0.00 0.00 0.00 173.10 178.51 2eej h SER 5 N 7.08 -0.16 -3.41 1.64 4.64 -2.00 -3.36 113.55 117.99 2eej h SER 5 Ca 0.00 0.26 -0.59 0.00 -0.47 0.00 0.00 61.79 60.99 2eej h SER 5 Cb 0.96 0.38 -0.10 0.00 -0.31 0.00 0.00 62.40 63.33 2eej h SER 5 CO 0.37 -0.33 -0.20 -0.44 -0.87 0.00 0.00 176.83 175.35 2eej s SER 6 N -4.90 6.50 0.00 4.97 0.01 -1.26 -4.89 113.70 114.13 2eej s SER 6 Ca -0.12 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2eej s SER 6 Cb 0.30 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2eej s SER 6 CO 0.78 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2eej n GLY 7 N 3.67 -0.54 3.60 3.44 0.00 -1.26 -5.15 105.19 108.96 2eej n GLY 7 Ca -0.08 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.08 -0.00 1.61 0.04 -1.26 -5.06 135.00 129.24 2eej s PRO 8 Ca 0.00 -0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.05 2eej s PRO 8 Cb 0.00 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 2eej s PRO 8 CO 0.00 -3.63 -0.05 0.15 0.04 0.00 0.00 177.00 173.51 2eej s LYS 9 N -5.36 2.61 -0.21 4.56 1.02 -0.84 -5.03 119.74 116.49 2eej s LYS 9 Ca 0.70 -0.69 -0.03 0.00 0.02 0.00 0.00 55.97 55.97 2eej s LYS 9 Cb -0.11 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2eej s LYS 9 CO 0.56 0.61 -0.05 -1.17 -0.92 0.00 0.00 175.35 174.38 2eej s LEU 10 N -1.40 2.90 -0.04 3.17 1.98 -1.26 -2.94 118.68 121.09 2eej s LEU 10 Ca 0.17 -0.37 0.02 0.00 -2.89 0.00 0.00 54.13 51.06 2eej s LEU 10 Cb -0.11 -1.73 0.01 0.00 0.66 0.00 0.00 46.19 45.02 2eej s LEU 10 CO 0.07 0.01 -0.08 0.00 -1.89 0.00 0.00 176.35 174.47 2eej s ARG 12 N 0.55 4.14 0.04 0.00 0.52 -1.26 -3.84 118.95 119.09 2eej s ARG 12 Ca -0.09 -0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 54.91 2eej s ARG 12 Cb -0.12 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.82 2eej s ARG 12 CO 0.01 0.15 0.24 -0.51 0.02 0.00 0.00 175.30 175.21 2eej s LEU 13 N 0.79 4.35 -0.22 2.53 1.43 -1.15 -4.90 118.68 121.52 2eej s LEU 13 Ca 0.09 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2eej s LEU 13 Cb -0.13 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.30 2eej s LEU 13 CO 0.02 0.19 0.07 0.00 0.23 0.00 0.00 176.35 176.87 2eej s ALA 14 N -1.44 0.91 -0.23 4.21 0.00 -1.26 -3.39 121.76 120.56 2eej s ALA 14 Ca 0.32 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 2eej s ALA 14 Cb -0.13 -1.24 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 2eej s ALA 14 CO 0.23 -1.31 2.20 1.17 0.00 0.00 0.00 175.76 178.04 2eej n LYS 15 N 5.10 1.83 0.00 0.00 4.81 -1.17 -4.63 118.16 124.09 2eej n LYS 15 Ca -0.07 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2eej n LYS 15 Cb 0.46 -3.05 0.00 0.00 0.02 0.00 0.00 35.03 32.46 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 5.83 0.60 0.38 3.14 0.00 -1.25 -4.88 105.19 109.01 2eej n GLY 16 Ca 0.32 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.67 -0.03 1.61 4.39 -2.03 -3.17 114.58 114.68 2eej h GLU 17 Ca 0.00 0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 2eej h GLU 17 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2eej h GLU 17 CO 0.00 -0.45 -0.13 -0.91 -1.16 0.00 0.00 179.01 176.37 2eej h ASN 18 N -0.70 0.16 -2.56 1.42 4.21 -2.00 -3.50 115.58 112.61 2eej h ASN 18 Ca -0.01 -0.65 0.00 0.00 1.21 0.00 0.00 56.30 56.85 2eej h ASN 18 Cb 0.66 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2eej h ASN 18 CO -0.11 0.78 0.00 0.61 -1.29 0.00 0.00 177.43 177.42 2eej n GLY 19 N 0.68 0.28 0.20 2.83 0.00 -1.20 -4.93 105.19 103.04 2eej n GLY 19 Ca -0.09 -1.70 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 2eej n GLY 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2eej h TYR 20 N 0.00 -0.34 0.00 1.61 0.05 -1.88 -3.32 116.97 113.08 2eej h TYR 20 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2eej h TYR 20 Cb 0.00 0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2eej h TYR 20 CO 0.00 -0.22 0.00 0.41 -1.05 0.00 0.00 178.16 177.30 2eej n GLY 21 N -1.32 3.08 4.00 3.88 0.00 -1.26 -3.53 105.19 110.04 2eej n GLY 21 Ca 0.01 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 2eej n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eej s PHE 22 N -0.47 2.47 0.23 1.61 -0.71 -1.25 -2.95 117.98 116.91 2eej s PHE 22 Ca 0.00 -0.29 0.03 0.00 -1.04 0.00 0.00 56.93 55.63 2eej s PHE 22 Cb 0.00 -2.56 -0.01 0.00 -1.21 0.00 0.00 43.02 39.23 2eej s PHE 22 CO 0.00 -0.85 0.23 0.72 -1.34 0.00 0.00 175.22 173.98 2eej n HIS 23 N -2.21 -0.70 -4.51 3.49 8.25 0.26 -4.91 115.22 114.89 2eej n HIS 23 Ca 0.10 -1.81 -0.29 0.00 -0.26 0.00 0.00 57.72 55.46 2eej n HIS 23 Cb 0.60 0.25 -0.13 0.00 1.12 0.00 0.00 29.99 31.82 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 2.32 -0.04 2.41 1.02 -1.26 -0.12 118.68 123.02 2eej s LEU 24 Ca 0.25 -0.69 -0.00 0.00 0.02 0.00 0.00 54.13 53.71 2eej s LEU 24 Cb 0.01 -1.27 0.03 0.00 0.02 0.00 0.00 46.19 44.97 2eej s LEU 24 CO 0.18 0.20 0.01 0.21 0.02 0.00 0.00 176.35 176.97 2eej s ASN 25 N -1.85 0.65 -0.53 2.29 2.47 -0.97 -4.87 114.94 112.13 2eej s ASN 25 Ca 0.14 -0.02 -0.28 0.00 0.42 0.00 0.00 52.86 53.12 2eej s ASN 25 Cb -0.10 -0.24 0.02 0.00 -1.45 0.00 0.00 41.25 39.48 2eej s ASN 25 CO 0.05 -0.13 1.32 0.00 -3.72 0.00 0.00 177.10 174.62 2eej s ALA 26 N 1.27 2.94 -0.11 1.71 0.00 -1.26 -3.69 121.76 122.63 2eej s ALA 26 Ca -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2eej s ALA 26 Cb -0.13 -4.03 -0.03 0.00 0.00 0.00 0.00 23.12 18.93 2eej s ALA 26 CO -0.02 -2.68 -0.06 0.42 0.00 0.00 0.00 175.76 173.41 2eej s ILE 27 N 5.45 3.71 0.01 0.00 1.01 -1.26 -5.02 121.20 125.10 2eej s ILE 27 Ca 0.51 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.52 2eej s ILE 27 Cb -0.10 -2.56 -0.25 0.00 0.01 0.00 0.00 42.46 39.56 2eej s ILE 27 CO 0.27 0.55 1.07 -0.09 0.00 0.00 0.00 174.94 176.75 2eej h ARG 28 N 5.90 0.44 -0.96 2.79 9.65 -1.95 -3.33 114.38 126.92 2eej h ARG 28 Ca -0.40 -0.51 0.18 0.00 -1.10 0.00 0.00 59.98 58.15 2eej h ARG 28 Cb 1.18 0.16 -0.18 0.00 -1.39 0.00 0.00 29.97 29.74 2eej h ARG 28 CO 0.56 1.17 -0.27 0.41 2.80 0.00 0.00 179.97 184.65 2eej n GLY 29 N 1.19 -1.70 3.34 2.80 0.00 -1.26 -4.50 105.19 105.07 2eej n GLY 29 Ca -0.11 1.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.72 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 -11.08 2.42 0.00 0.99 1.43 -1.25 -5.15 118.68 106.03 2eej s LEU 30 Ca -0.14 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 2eej s LEU 30 Cb 0.25 -0.88 0.07 0.00 0.03 0.00 0.00 46.19 45.66 2eej s LEU 30 CO 0.74 -0.00 0.26 -0.81 0.23 0.00 0.00 176.35 176.77 2eej n PRO 31 N 0.39 -1.54 0.00 1.29 -0.04 -1.26 -4.57 135.00 129.27 2eej n PRO 31 Ca -0.14 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 2eej n PRO 31 Cb 0.56 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 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 0.70 0.51 1.94 0.55 0.00 -1.23 -4.87 105.19 102.78 2eej n GLY 32 Ca 0.04 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 2eej n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eej n SER 33 N -3.56 2.01 -3.70 1.61 7.64 -1.26 -4.57 113.62 111.79 2eej n SER 33 Ca 0.00 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.74 2eej n SER 33 Cb 0.00 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2eej s PHE 34 N -1.47 -0.43 -0.02 1.43 0.40 -1.24 -4.11 117.98 112.54 2eej s PHE 34 Ca 0.14 0.91 -0.30 0.00 -0.60 0.00 0.00 56.93 57.07 2eej s PHE 34 Cb -0.01 0.19 -0.04 0.00 0.51 0.00 0.00 43.02 43.66 2eej s PHE 34 CO 0.09 -0.35 1.28 0.42 0.70 0.00 0.00 175.22 177.35 2eej s ILE 35 N -0.51 4.02 0.01 0.64 1.01 -0.70 -2.30 121.20 123.37 2eej s ILE 35 Ca -0.06 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 2eej s ILE 35 Cb -0.03 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2eej s ILE 35 CO 0.03 0.01 0.00 -0.75 0.00 0.00 0.00 174.94 174.24 2eej s LYS 36 N 2.15 0.29 -0.77 2.79 2.47 0.83 -4.18 119.74 123.31 2eej s LYS 36 Ca 0.59 -0.48 -0.00 0.00 -1.56 0.00 0.00 55.97 54.52 2eej s LYS 36 Cb -0.28 0.11 -0.00 0.00 -1.46 0.00 0.00 37.83 36.20 2eej s LYS 36 CO 0.24 -0.05 0.65 0.39 0.16 0.00 0.00 175.35 176.74 2eej n GLU 37 N 1.81 -4.03 -3.24 4.03 1.02 -1.26 0.93 120.64 119.90 2eej n GLU 37 Ca -0.22 0.56 -0.40 0.00 -0.02 0.00 0.00 57.16 57.07 2eej n GLU 37 Cb 0.56 -4.66 -0.08 0.00 -0.02 0.00 0.00 31.44 27.24 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 -3.24 5.04 0.23 2.62 0.11 -1.25 -3.74 120.40 120.18 2eej s VAL 38 Ca 0.03 0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 2eej s VAL 38 Cb -0.00 -3.89 -0.09 0.00 -1.53 0.00 0.00 36.38 30.87 2eej s VAL 38 CO 0.48 -0.04 1.06 -1.58 -3.33 0.00 0.00 175.10 171.68 2eej s GLN 39 N 2.36 4.67 -0.20 1.54 0.74 -1.15 -4.92 119.66 122.70 2eej s GLN 39 Ca 0.20 1.70 -0.29 0.00 0.05 0.00 0.00 55.36 57.02 2eej s GLN 39 Cb -0.15 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.72 2eej s GLN 39 CO 0.11 0.23 1.06 0.21 -0.55 0.00 0.00 175.29 176.35 2eej s LYS 40 N -1.01 4.29 0.00 1.67 2.36 -1.26 -3.51 119.74 122.28 2eej s LYS 40 Ca 0.45 1.40 0.00 0.00 -2.55 0.00 0.00 55.97 55.27 2eej s LYS 40 Cb -0.30 -3.63 0.00 0.00 -1.05 0.00 0.00 37.83 32.85 2eej s LYS 40 CO 0.37 -0.58 0.00 0.41 1.55 0.00 0.00 175.35 177.10 2eej n GLY 41 N 3.31 0.77 0.00 5.54 0.00 -1.26 -5.07 105.19 108.47 2eej n GLY 41 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.35 0.19 -0.02 0.00 -1.23 -4.59 105.19 97.19 2eej n GLY 42 Ca 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 0.62 -0.35 1.61 0.13 -1.82 -1.54 132.00 130.65 2eej h PRO 43 Ca 0.00 -0.33 0.06 0.00 -0.87 0.00 0.00 66.00 64.86 2eej h PRO 43 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2eej h PRO 43 CO 0.00 0.93 0.03 0.00 -0.23 0.00 0.00 178.00 178.73 2eej h ALA 44 N 0.68 0.34 0.48 -0.56 0.00 -1.88 -0.68 119.26 117.65 2eej h ALA 44 Ca 0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2eej h ALA 44 Cb 0.81 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2eej h ALA 44 CO 0.06 -0.37 -0.23 0.22 0.00 0.00 0.00 179.25 178.93 2eej h ASP 45 N 0.14 -0.55 -0.95 0.00 3.58 -1.74 0.15 116.42 117.06 2eej h ASP 45 Ca 0.17 -0.04 0.28 0.00 0.42 0.00 0.00 57.03 57.86 2eej h ASP 45 Cb 0.21 0.14 -0.17 0.00 1.72 0.00 0.00 39.33 41.24 2eej h ASP 45 CO -0.25 -0.13 0.21 -0.07 -2.88 0.00 0.00 179.24 176.11 2eej h LEU 46 N -1.10 -0.13 -0.82 2.28 3.38 -1.21 0.93 115.31 118.63 2eej h LEU 46 Ca -0.07 0.24 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2eej h LEU 46 Cb 0.56 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2eej h LEU 46 CO 0.11 -0.29 0.01 0.00 0.09 0.00 0.00 178.44 178.36 2eej h ALA 47 N 1.90 1.02 0.00 1.53 0.00 -1.14 -3.47 119.26 119.10 2eej h ALA 47 Ca 0.63 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2eej h ALA 47 Cb 1.37 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2eej h ALA 47 CO -0.79 0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.48 2eej n GLY 48 N -0.58 1.26 3.85 0.00 0.00 0.32 -5.03 105.19 105.01 2eej n GLY 48 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 4.41 0.00 0.99 1.43 0.50 -5.01 118.68 121.00 2eej s LEU 49 Ca 0.00 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2eej s LEU 49 Cb 0.00 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 2eej s LEU 49 CO 0.00 0.35 0.03 -0.62 0.23 0.00 0.00 176.35 176.34 2eej n GLU 50 N 2.08 1.10 -0.20 1.70 1.02 -1.26 -4.47 120.64 120.61 2eej n GLU 50 Ca -0.17 -1.86 -0.01 0.00 -0.02 0.00 0.00 57.16 55.11 2eej n GLU 50 Cb 0.54 0.71 0.07 0.00 -0.02 0.00 0.00 31.44 32.74 2eej n GLU 50 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2eej n ASP 51 N -1.43 2.34 0.00 1.62 2.03 -1.26 -3.25 116.55 116.60 2eej n ASP 51 Ca -0.07 -2.23 0.00 0.00 0.52 0.00 0.00 54.79 53.00 2eej n ASP 51 Cb 0.33 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2eej n GLU 52 N 0.14 1.92 -2.09 -0.67 1.02 -1.26 -4.76 120.64 114.94 2eej n GLU 52 Ca 0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2eej n GLU 52 Cb 0.54 -0.87 -0.02 0.00 -0.02 0.00 0.00 31.44 31.06 2eej n GLU 52 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2eej s ASP 53 N -1.76 6.75 -0.06 1.62 1.01 -1.20 -4.80 116.67 118.23 2eej s ASP 53 Ca 0.00 2.60 0.04 0.00 0.71 0.00 0.00 52.55 55.90 2eej s ASP 53 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2eej s ASP 53 CO 0.00 -0.61 -0.19 0.68 0.21 0.00 0.00 175.17 175.26 2eej s VAL 54 N -0.26 2.63 -1.01 -1.27 -7.23 -1.26 -1.72 120.40 110.28 2eej s VAL 54 Ca 0.56 -0.87 -0.23 0.00 -1.81 0.00 0.00 61.98 59.63 2eej s VAL 54 Cb -0.40 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2eej s VAL 54 CO 0.44 0.57 1.70 -0.63 -0.31 0.00 0.00 175.10 176.88 2eej s ILE 55 N -0.39 3.73 0.00 -0.62 1.09 -1.26 -3.92 121.20 119.83 2eej s ILE 55 Ca 0.04 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 2eej s ILE 55 Cb -0.12 -4.63 0.00 0.00 -1.06 0.00 0.00 42.46 36.65 2eej s ILE 55 CO 0.02 -1.49 0.57 -0.38 -0.10 0.00 0.00 174.94 173.56 2eej n ILE 56 N 7.30 0.00 -3.52 2.92 5.41 0.34 -4.66 119.36 127.15 2eej n ILE 56 Ca 0.38 1.05 -0.20 0.00 1.00 0.00 0.00 62.75 64.98 2eej n ILE 56 Cb 0.49 -2.00 -0.02 0.00 -0.71 0.00 0.00 39.64 37.39 2eej n ILE 56 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2eej s GLU 57 N -2.03 2.79 -0.24 0.38 2.02 -1.24 -2.95 118.70 117.42 2eej s GLU 57 Ca 0.00 -1.28 -0.03 0.00 0.02 0.00 0.00 54.97 53.68 2eej s GLU 57 Cb 0.00 -2.59 0.13 0.00 0.10 0.00 0.00 34.13 31.78 2eej s GLU 57 CO 0.00 -0.05 0.37 0.54 0.02 0.00 0.00 175.26 176.14 2eej s VAL 58 N -2.33 -0.59 -1.50 2.63 0.11 -0.66 -2.90 120.40 115.16 2eej s VAL 58 Ca 0.46 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2eej s VAL 58 Cb -0.07 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2eej s VAL 58 CO 0.29 -0.12 0.00 0.59 -3.33 0.00 0.00 175.10 172.53 2eej n ASN 59 N 5.36 -4.81 -1.12 3.54 5.03 -1.04 -3.56 115.26 118.66 2eej n ASN 59 Ca -0.04 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.58 2eej n ASN 59 Cb 0.50 -3.83 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2eej n GLY 60 N -1.02 0.86 3.64 7.41 0.00 -1.26 -5.10 105.19 109.72 2eej n GLY 60 Ca -0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.75 0.00 -0.79 1.61 0.11 -1.23 -5.11 120.40 112.24 2eej s VAL 61 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 2eej s VAL 61 Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2eej s VAL 61 CO 0.00 0.00 1.24 0.21 -3.33 0.00 0.00 175.10 173.22 2eej s ASN 62 N 0.77 6.25 -0.15 3.54 3.84 -1.26 -1.65 114.94 126.27 2eej s ASN 62 Ca -0.03 -0.82 0.16 0.00 0.21 0.00 0.00 52.86 52.38 2eej s ASN 62 Cb -0.04 -2.53 0.73 0.00 -0.55 0.00 0.00 41.25 38.86 2eej s ASN 62 CO -0.11 -1.66 1.63 1.33 -2.79 0.00 0.00 177.10 175.50 2eej n VAL 63 N 6.34 2.09 -0.08 -5.21 0.24 -1.15 -4.55 118.33 116.00 2eej n VAL 63 Ca 0.08 -1.20 -0.07 0.00 -2.04 0.00 0.00 64.34 61.11 2eej n VAL 63 Cb 0.49 -0.05 -0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 3.90 -0.61 -0.34 1.34 3.38 -1.86 -2.05 115.31 119.07 2eej h LEU 64 Ca 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2eej h LEU 64 Cb 1.60 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2eej h LEU 64 CO 0.32 -0.22 0.15 0.44 0.09 0.00 0.00 178.44 179.22 2eej h ASP 65 N -0.14 0.45 -2.23 -0.43 3.32 -1.94 -3.27 116.42 112.18 2eej h ASP 65 Ca 0.17 -0.15 -0.59 0.00 0.02 0.00 0.00 57.03 56.48 2eej h ASP 65 Cb 0.39 -0.12 0.18 0.00 0.22 0.00 0.00 39.33 40.01 2eej h ASP 65 CO -0.41 0.47 -1.00 -0.62 -1.72 0.00 0.00 179.24 175.97 2eej n GLU 66 N -4.72 0.11 0.00 3.56 -0.58 -0.77 -4.89 120.64 113.35 2eej n GLU 66 Ca -0.01 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2eej n GLU 66 Cb 0.12 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.15 -0.70 0.06 3.49 -0.04 -1.26 -4.72 135.00 132.98 2eej n PRO 67 Ca 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 2eej n PRO 67 Cb 0.48 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.86 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 -1.35 0.00 -0.09 0.54 3.20 -1.92 -2.90 116.97 114.45 2eej h TYR 68 Ca 0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 2eej h TYR 68 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2eej h TYR 68 CO 0.00 0.76 -0.81 0.93 -1.64 0.00 0.00 178.16 177.40 2eej h GLU 69 N 0.00 0.58 -0.02 1.82 4.39 -1.99 -2.00 114.58 117.37 2eej h GLU 69 Ca -0.10 -0.51 -0.05 0.00 0.34 0.00 0.00 59.36 59.04 2eej h GLU 69 Cb 1.67 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2eej h GLU 69 CO 0.08 1.13 -0.18 0.87 -1.16 0.00 0.00 179.01 179.75 2eej h LYS 70 N 0.38 0.15 -0.16 2.33 6.56 -1.93 -2.18 116.57 121.71 2eej h LYS 70 Ca -0.06 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 2eej h LYS 70 Cb 1.42 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.11 2eej h LYS 70 CO 0.15 0.84 0.11 -0.39 -2.06 0.00 0.00 179.45 178.10 2eej h VAL 71 N -0.48 1.05 0.03 0.50 -1.51 -1.60 -1.87 116.25 112.36 2eej h VAL 71 Ca -0.02 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2eej h VAL 71 Cb 0.89 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2eej h VAL 71 CO 0.04 0.05 -0.01 1.62 -1.23 0.00 0.00 177.57 178.03 2eej h VAL 72 N 0.22 1.01 -0.87 7.19 3.04 -1.46 -2.23 116.25 123.15 2eej h VAL 72 Ca 0.06 -0.11 0.16 0.00 -1.01 0.00 0.00 66.70 65.80 2eej h VAL 72 Cb -0.01 1.09 -0.07 0.00 -2.01 0.00 0.00 31.29 30.29 2eej h VAL 72 CO -0.01 0.03 0.57 -0.78 -1.01 0.00 0.00 177.57 176.37 2eej h ASP 73 N -0.08 0.55 -0.33 3.17 1.82 -1.27 -0.21 116.42 120.07 2eej h ASP 73 Ca -0.00 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.61 2eej h ASP 73 Cb 0.07 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2eej h ASP 73 CO 0.01 0.26 -0.06 0.03 -1.61 0.00 0.00 179.24 177.86 2eej h ARG 74 N 0.57 0.62 -0.10 0.28 3.08 -0.89 0.44 114.38 118.38 2eej h ARG 74 Ca 0.45 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2eej h ARG 74 Cb 0.87 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2eej h ARG 74 CO -0.19 0.79 0.03 0.82 -1.07 0.00 0.00 179.97 180.35 2eej h ILE 75 N 0.41 1.18 -0.21 2.04 2.04 -0.58 0.03 117.51 122.42 2eej h ILE 75 Ca 0.09 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 2eej h ILE 75 Cb 0.55 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2eej h ILE 75 CO 0.03 0.16 -0.16 1.56 0.00 0.00 0.00 178.15 179.74 2eej h GLN 76 N -0.03 0.47 -0.28 2.37 1.08 -1.11 -3.07 115.11 114.54 2eej h GLN 76 Ca 0.03 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2eej h GLN 76 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2eej h GLN 76 CO -0.00 0.79 0.13 1.03 -0.95 0.00 0.00 178.83 179.83 2eej h SER 77 N 0.16 0.34 -0.94 1.46 0.87 -0.11 -2.41 113.55 112.92 2eej h SER 77 Ca 0.04 -0.02 0.21 0.00 -1.23 0.00 0.00 61.79 60.79 2eej h SER 77 Cb 0.69 -0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 62.44 2eej h SER 77 CO 0.04 0.30 0.50 0.28 -0.53 0.00 0.00 176.83 177.42 2eej h SER 78 N 0.39 0.54 0.00 6.23 0.02 -0.87 -3.48 113.55 116.38 2eej h SER 78 Ca 0.10 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2eej h SER 78 Cb 0.06 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2eej h SER 78 CO -0.01 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.40 2eej n GLY 79 N -1.32 0.13 0.08 -3.77 0.00 -0.91 -4.79 105.19 94.61 2eej n GLY 79 Ca 0.23 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 0.49 -3.00 1.61 5.02 -1.26 -4.88 118.16 116.14 2eej n LYS 80 Ca 0.00 0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 2eej n LYS 80 Cb 0.00 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 2eej n LYS 80 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2eej s ASN 81 N -5.86 6.61 -0.02 4.39 0.01 -1.26 -3.04 114.94 115.77 2eej s ASN 81 Ca -0.21 0.61 -0.04 0.00 -0.71 0.00 0.00 52.86 52.51 2eej s ASN 81 Cb 0.03 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.32 2eej s ASN 81 CO 0.32 -0.55 0.09 0.54 -1.51 0.00 0.00 177.10 175.98 2eej s VAL 82 N 2.82 0.03 -0.17 1.60 0.11 -1.22 -5.01 120.40 118.55 2eej s VAL 82 Ca 0.30 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2eej s VAL 82 Cb -0.14 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2eej s VAL 82 CO 0.12 -0.13 0.06 -0.89 -3.33 0.00 0.00 175.10 170.92 2eej s THR 83 N -0.39 4.74 -0.02 5.04 2.01 -1.26 -2.91 115.64 122.84 2eej s THR 83 Ca -0.05 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2eej s THR 83 Cb -0.03 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2eej s THR 83 CO 0.00 0.48 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.58 2eej s LEU 84 N 0.23 1.81 -0.46 4.42 1.43 -1.25 -2.50 118.68 122.36 2eej s LEU 84 Ca 0.04 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 2eej s LEU 84 Cb -0.12 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.69 2eej s LEU 84 CO 0.00 0.05 0.63 -0.22 0.23 0.00 0.00 176.35 177.05 2eej s LEU 85 N 0.16 4.64 0.03 1.79 0.20 -1.14 -3.99 118.68 120.36 2eej s LEU 85 Ca -0.02 -0.52 0.01 0.00 0.69 0.00 0.00 54.13 54.29 2eej s LEU 85 Cb -0.07 -2.62 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 2eej s LEU 85 CO 0.00 -0.81 0.08 0.68 -0.29 0.00 0.00 176.35 176.01 2eej s VAL 86 N 2.75 4.64 0.08 1.68 -7.23 -1.15 -0.50 120.40 120.66 2eej s VAL 86 Ca 0.20 -0.55 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 2eej s VAL 86 Cb -0.16 -3.16 0.06 0.00 0.56 0.00 0.00 36.38 33.68 2eej s VAL 86 CO 0.17 0.27 0.56 0.00 -0.31 0.00 0.00 175.10 175.79 2eej n GLY 88 N 0.15 -2.36 3.64 0.00 0.00 -1.26 -4.17 105.19 101.19 2eej n GLY 88 Ca -0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.87 0.24 -0.58 1.61 2.20 -1.26 -4.34 119.74 115.75 2eej s LYS 89 Ca 0.00 0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 55.65 2eej s LYS 89 Cb 0.00 0.12 0.11 0.00 -1.51 0.00 0.00 37.83 36.54 2eej s LYS 89 CO 0.00 -0.04 0.66 0.15 -0.36 0.00 0.00 175.35 175.76 2eej s LYS 90 N -0.18 3.03 0.01 4.03 1.02 -1.26 -5.05 119.74 121.35 2eej s LYS 90 Ca 0.05 -1.38 -0.14 0.00 0.02 0.00 0.00 55.97 54.52 2eej s LYS 90 Cb -0.04 -4.27 -0.06 0.00 -0.52 0.00 0.00 37.83 32.95 2eej s LYS 90 CO -0.10 -1.48 0.40 0.45 -0.92 0.00 0.00 175.35 173.69 2eej s SER 91 N 3.58 6.78 0.41 2.83 0.15 -1.26 -5.09 113.70 121.10 2eej s SER 91 Ca 0.10 0.93 0.04 0.00 0.70 0.00 0.00 55.95 57.72 2eej s SER 91 Cb -0.25 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2eej s SER 91 CO 0.06 0.31 0.16 -0.83 1.20 0.00 0.00 173.24 174.13 2eej s GLY 92 N -1.16 2.67 -0.39 9.45 0.00 -1.26 -5.09 107.32 111.54 2eej s GLY 92 Ca 0.25 -1.24 -0.28 0.00 0.00 0.00 0.00 44.72 43.45 2eej s GLY 92 CO 0.14 -1.80 1.72 2.56 0.00 0.00 0.00 173.10 175.72 2eej s PRO 93 N -3.64 3.28 0.84 2.90 0.04 -1.26 -4.98 135.00 132.18 2eej s PRO 93 Ca 0.24 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 2eej s PRO 93 Cb 0.02 -4.19 0.10 0.00 0.04 0.00 0.00 34.50 30.47 2eej s PRO 93 CO 0.16 -1.92 1.17 0.45 0.04 0.00 0.00 177.00 176.90 2eej s SER 94 N 5.92 3.44 0.38 6.66 0.15 -1.26 -4.92 113.70 124.07 2eej s SER 94 Ca 0.74 2.26 -0.28 0.00 0.70 0.00 0.00 55.95 59.37 2eej s SER 94 Cb -0.19 -2.58 -0.11 0.00 -1.71 0.00 0.00 66.02 61.43 2eej s SER 94 CO 0.31 -2.76 1.48 -1.54 1.20 0.00 0.00 173.24 171.93 2eej n SER 95 N -3.63 3.77 0.00 5.45 3.41 -1.26 -5.35 113.62 116.01 2eej n SER 95 Ca 0.13 1.23 0.12 0.00 -0.26 0.00 0.00 58.87 60.08 2eej n SER 95 Cb 0.51 -1.62 0.72 0.00 -0.26 0.00 0.00 64.21 63.56 2eej n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49