#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 1.57 -4.37 1.61 7.64 -1.26 -4.93 113.62 113.88 2eej n SER 2 Ca 0.00 1.07 -0.45 0.00 1.01 0.00 0.00 58.87 60.50 2eej n SER 2 Cb 0.00 -1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 61.76 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 -0.66 6.18 0.00 6.43 1.04 -1.26 -4.98 113.70 120.44 2eej s SER 3 Ca 0.62 -1.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 2eej s SER 3 Cb -0.56 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2eej s SER 3 CO 0.58 -0.83 0.02 0.61 0.98 0.00 0.00 173.24 174.60 2eej n GLY 4 N 5.23 0.83 2.73 7.32 0.00 -1.26 -5.11 105.19 114.93 2eej n GLY 4 Ca -0.12 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2eej n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eej s SER 5 N -1.05 3.65 0.98 1.61 0.15 -1.26 -5.12 113.70 112.66 2eej s SER 5 Ca 0.01 -2.94 -0.11 0.00 0.70 0.00 0.00 55.95 53.60 2eej s SER 5 Cb -0.00 -1.13 0.18 0.00 -1.71 0.00 0.00 66.02 63.36 2eej s SER 5 CO 0.00 -0.22 1.09 -0.44 1.20 0.00 0.00 173.24 174.87 2eej s SER 6 N -0.07 2.57 0.00 5.45 0.01 -1.26 -4.99 113.70 115.41 2eej s SER 6 Ca 0.21 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.17 2eej s SER 6 Cb -0.17 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2eej s SER 6 CO -0.05 -3.24 0.00 0.61 0.41 0.00 0.00 173.24 170.97 2eej n GLY 7 N -0.17 -1.63 0.00 3.44 0.00 -1.26 -5.18 105.19 100.39 2eej n GLY 7 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 0.20 -4.38 1.61 -0.04 -1.26 -5.01 135.00 126.12 2eej n PRO 8 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2eej n PRO 8 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 2eej n PRO 8 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2eej s LYS 9 N -1.20 0.86 -0.49 0.54 -2.85 -1.19 -5.06 119.74 110.34 2eej s LYS 9 Ca 0.00 -0.31 -0.20 0.00 -1.00 0.00 0.00 55.97 54.46 2eej s LYS 9 Cb 0.00 -0.82 0.05 0.00 -2.06 0.00 0.00 37.83 35.00 2eej s LYS 9 CO 0.00 0.15 0.67 -1.17 0.10 0.00 0.00 175.35 175.10 2eej s LEU 10 N 0.02 4.73 0.06 2.77 1.98 -1.26 -3.97 118.68 123.01 2eej s LEU 10 Ca -0.00 -0.69 0.06 0.00 -2.89 0.00 0.00 54.13 50.61 2eej s LEU 10 Cb -0.06 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.19 2eej s LEU 10 CO 0.00 -0.90 -0.13 0.00 -1.89 0.00 0.00 176.35 173.43 2eej s ARG 12 N -1.70 2.19 0.03 0.00 0.52 -1.26 -3.48 118.95 115.26 2eej s ARG 12 Ca 0.17 -0.94 0.08 0.00 -0.52 0.00 0.00 55.73 54.52 2eej s ARG 12 Cb -0.11 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 2eej s ARG 12 CO 0.08 0.54 -0.22 -0.51 0.02 0.00 0.00 175.30 175.22 2eej s LEU 13 N -1.75 2.41 -0.25 2.53 1.43 -1.21 -4.51 118.68 117.33 2eej s LEU 13 Ca 0.18 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2eej s LEU 13 Cb -0.11 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 44.77 2eej s LEU 13 CO 0.09 0.27 0.04 0.00 0.23 0.00 0.00 176.35 176.97 2eej s ALA 14 N -0.84 1.48 0.06 4.21 0.00 -1.26 -3.28 121.76 122.12 2eej s ALA 14 Ca 0.13 -1.25 -0.34 0.00 0.00 0.00 0.00 51.96 50.50 2eej s ALA 14 Cb -0.10 -1.42 -0.13 0.00 0.00 0.00 0.00 23.12 21.47 2eej s ALA 14 CO 0.03 -1.37 1.70 1.17 0.00 0.00 0.00 175.76 177.29 2eej n LYS 15 N 4.86 2.15 0.00 0.00 4.81 0.68 -4.67 118.16 125.99 2eej n LYS 15 Ca -0.07 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2eej n LYS 15 Cb 0.44 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.92 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 3.80 1.89 1.20 3.14 0.00 -1.26 -5.00 105.19 108.96 2eej n GLY 16 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2eej n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2eej n GLU 17 N 0.00 0.00 0.02 1.61 -0.58 -1.26 -4.88 120.64 115.55 2eej n GLU 17 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2eej n GLU 17 Cb 0.00 -0.33 -0.11 0.00 -0.57 0.00 0.00 31.44 30.42 2eej n GLU 17 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2eej h ASN 18 N 0.00 0.65 0.00 1.62 2.35 -2.02 -3.50 115.58 114.68 2eej h ASN 18 Ca 0.00 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 54.98 2eej h ASN 18 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 2eej h ASN 18 CO 0.00 1.34 0.00 0.61 -1.65 0.00 0.00 177.43 177.73 2eej n GLY 19 N 1.13 -0.83 3.68 2.83 0.00 -1.26 -5.10 105.19 105.63 2eej n GLY 19 Ca -0.11 -1.32 -0.50 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.99 2.27 -0.31 1.61 4.01 -1.26 -4.39 117.16 118.09 2eej n TYR 20 Ca 0.00 0.11 0.20 0.00 -0.16 0.00 0.00 57.90 58.05 2eej n TYR 20 Cb 0.00 -2.62 0.47 0.00 -0.31 0.00 0.00 39.34 36.88 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 8.56 1.27 -1.04 2.72 0.00 -1.94 -3.41 103.07 109.24 2eej h GLY 21 Ca -0.48 -0.23 -0.46 0.00 0.00 0.00 0.00 47.33 46.16 2eej h GLY 21 CO 0.94 -0.10 0.27 -0.11 0.00 0.00 0.00 176.54 177.54 2eej s PHE 22 N -5.55 2.53 0.34 5.60 -0.71 -1.26 -4.10 117.98 114.83 2eej s PHE 22 Ca -0.09 0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.17 2eej s PHE 22 Cb 0.25 -3.38 -0.01 0.00 -1.21 0.00 0.00 43.02 38.67 2eej s PHE 22 CO 0.80 -1.72 0.42 -1.01 -1.34 0.00 0.00 175.22 172.36 2eej s HIS 23 N -3.39 1.25 0.16 3.49 3.76 0.18 -4.92 115.29 115.82 2eej s HIS 23 Ca 0.64 -1.40 0.10 0.00 -0.15 0.00 0.00 55.06 54.25 2eej s HIS 23 Cb -0.09 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.30 2eej s HIS 23 CO 0.47 -1.06 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.59 2eej s LEU 24 N -3.27 2.61 -0.10 0.89 1.02 -1.26 -0.97 118.68 117.59 2eej s LEU 24 Ca 0.33 -0.69 -0.05 0.00 0.02 0.00 0.00 54.13 53.74 2eej s LEU 24 Cb 0.00 -1.40 0.05 0.00 0.02 0.00 0.00 46.19 44.87 2eej s LEU 24 CO 0.22 0.14 0.23 0.54 0.02 0.00 0.00 176.35 177.50 2eej s ASN 25 N -2.44 -0.09 -0.53 2.29 4.22 -1.08 -4.90 114.94 112.42 2eej s ASN 25 Ca 0.20 0.48 -0.28 0.00 -2.14 0.00 0.00 52.86 51.11 2eej s ASN 25 Cb -0.09 0.40 0.02 0.00 1.28 0.00 0.00 41.25 42.86 2eej s ASN 25 CO 0.10 -0.18 1.27 0.00 -2.04 0.00 0.00 177.10 176.25 2eej s ALA 26 N 1.47 2.99 -0.86 3.54 0.00 -1.26 -3.63 121.76 124.01 2eej s ALA 26 Ca -0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 2eej s ALA 26 Cb -0.11 -4.01 0.15 0.00 0.00 0.00 0.00 23.12 19.15 2eej s ALA 26 CO -0.08 -2.61 0.98 0.42 0.00 0.00 0.00 175.76 174.47 2eej s ILE 27 N 5.20 5.00 -0.21 0.00 1.01 -1.26 -5.00 121.20 125.93 2eej s ILE 27 Ca 0.49 -1.77 -0.43 0.00 0.00 0.00 0.00 60.65 58.94 2eej s ILE 27 Cb -0.09 -4.66 -0.20 0.00 0.01 0.00 0.00 42.46 37.52 2eej s ILE 27 CO 0.28 -1.33 1.31 -1.14 0.00 0.00 0.00 174.94 174.06 2eej n ARG 28 N 5.76 0.06 0.00 2.79 0.00 -1.26 -2.67 116.66 121.33 2eej n ARG 28 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2eej n ARG 28 Cb 0.48 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.41 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2eej n GLY 29 N 2.60 3.13 3.78 5.14 0.00 -1.26 -5.08 105.19 113.50 2eej n GLY 29 Ca 0.25 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 3.88 1.02 0.99 2.01 -1.09 -5.11 118.68 120.38 2eej s LEU 30 Ca 0.00 0.13 -0.13 0.00 0.01 0.00 0.00 54.13 54.15 2eej s LEU 30 Cb 0.00 -2.27 0.20 0.00 0.01 0.00 0.00 46.19 44.13 2eej s LEU 30 CO 0.00 0.27 1.09 -2.16 1.01 0.00 0.00 176.35 176.56 2eej s PRO 31 N -1.75 0.22 0.35 1.29 0.04 -1.26 -4.73 135.00 129.16 2eej s PRO 31 Ca 0.23 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2eej s PRO 31 Cb -0.12 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2eej s PRO 31 CO 0.14 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.73 2eej n GLY 32 N -1.07 -1.97 2.35 0.56 0.00 0.20 -4.97 105.19 100.29 2eej n GLY 32 Ca 0.05 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.96 1.88 -3.88 1.61 7.64 -1.26 -4.73 113.62 111.92 2eej n SER 33 Ca 0.01 -2.11 -0.10 0.00 1.01 0.00 0.00 58.87 57.68 2eej n SER 33 Cb 0.39 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.56 0.11 -0.19 1.43 0.40 -1.24 -3.83 117.98 113.11 2eej s PHE 34 Ca 0.24 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.99 2eej s PHE 34 Cb -0.02 -0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.41 2eej s PHE 34 CO 0.15 -0.41 0.62 0.42 0.70 0.00 0.00 175.22 176.71 2eej s ILE 35 N -2.62 5.03 0.04 0.64 1.01 0.25 -2.63 121.20 122.93 2eej s ILE 35 Ca -0.05 1.18 -0.12 0.00 0.00 0.00 0.00 60.65 61.66 2eej s ILE 35 Cb -0.01 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.53 2eej s ILE 35 CO -0.04 0.13 0.27 -0.75 0.00 0.00 0.00 174.94 174.55 2eej s LYS 36 N 1.80 0.77 -0.55 2.79 2.20 -0.15 -3.58 119.74 123.02 2eej s LYS 36 Ca 0.29 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 55.34 2eej s LYS 36 Cb -0.16 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2eej s LYS 36 CO 0.11 -0.24 0.37 0.39 -0.36 0.00 0.00 175.35 175.61 2eej n GLU 37 N 0.63 -2.59 -3.27 4.03 1.02 -1.26 -0.64 120.64 118.56 2eej n GLU 37 Ca -0.19 0.33 -0.38 0.00 -0.02 0.00 0.00 57.16 56.90 2eej n GLU 37 Cb 0.59 -3.90 -0.06 0.00 -0.02 0.00 0.00 31.44 28.05 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 -2.98 5.07 0.13 2.62 0.11 -1.26 -4.09 120.40 120.00 2eej s VAL 38 Ca 0.18 1.09 -0.14 0.00 -2.93 0.00 0.00 61.98 60.18 2eej s VAL 38 Cb -0.08 -3.87 -0.07 0.00 -1.53 0.00 0.00 36.38 30.83 2eej s VAL 38 CO 0.22 0.37 0.54 -1.58 -3.33 0.00 0.00 175.10 171.32 2eej s GLN 39 N 0.22 3.98 -0.09 1.54 2.00 -1.26 -4.95 119.66 121.10 2eej s GLN 39 Ca 0.29 0.49 -0.30 0.00 -2.00 0.00 0.00 55.36 53.84 2eej s GLN 39 Cb -0.17 -2.96 -0.03 0.00 0.80 0.00 0.00 33.01 30.66 2eej s GLN 39 CO 0.14 0.50 1.25 0.21 -0.50 0.00 0.00 175.29 176.88 2eej s LYS 40 N -1.88 4.30 0.00 1.67 2.47 -1.26 -2.79 119.74 122.25 2eej s LYS 40 Ca 0.37 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 56.48 2eej s LYS 40 Cb -0.15 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 2eej s LYS 40 CO 0.19 -0.56 0.00 0.41 0.16 0.00 0.00 175.35 175.55 2eej n GLY 41 N 3.49 0.28 0.00 5.54 0.00 -1.26 -5.06 105.19 108.19 2eej n GLY 41 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 -0.68 0.13 -0.02 0.00 -1.12 -4.67 105.19 96.82 2eej n GLY 42 Ca 0.00 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 0.34 -0.24 1.61 0.13 -1.87 -1.68 132.00 130.29 2eej h PRO 43 Ca 0.00 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 2eej h PRO 43 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2eej h PRO 43 CO 0.00 0.73 0.04 0.00 -0.23 0.00 0.00 178.00 178.54 2eej h ALA 44 N 0.60 0.32 0.83 -0.56 0.00 -1.88 -2.48 119.26 116.08 2eej h ALA 44 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2eej h ALA 44 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2eej h ALA 44 CO 0.03 -0.00 -0.40 0.22 0.00 0.00 0.00 179.25 179.11 2eej h ASP 45 N 0.20 -0.94 -0.85 0.00 1.82 -1.75 0.18 116.42 115.09 2eej h ASP 45 Ca 0.07 0.03 0.20 0.00 -0.39 0.00 0.00 57.03 56.94 2eej h ASP 45 Cb 0.33 0.24 -0.16 0.00 0.68 0.00 0.00 39.33 40.42 2eej h ASP 45 CO 0.00 -0.64 -0.07 -0.07 -1.61 0.00 0.00 179.24 176.86 2eej h LEU 46 N -1.17 -0.54 -1.85 2.28 3.38 -1.37 1.13 115.31 117.17 2eej h LEU 46 Ca -0.11 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2eej h LEU 46 Cb 0.85 0.45 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2eej h LEU 46 CO 0.19 -0.26 0.07 0.00 0.09 0.00 0.00 178.44 178.53 2eej h ALA 47 N 1.83 1.89 0.00 1.53 0.00 -1.35 -3.46 119.26 119.70 2eej h ALA 47 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2eej h ALA 47 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2eej h ALA 47 CO -0.81 0.10 0.00 0.41 0.00 0.00 0.00 179.25 178.95 2eej n GLY 48 N -1.48 1.56 3.89 0.00 0.00 0.39 -4.75 105.19 104.80 2eej n GLY 48 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 4.36 0.00 0.99 1.43 0.58 -4.97 118.68 121.08 2eej s LEU 49 Ca 0.00 0.48 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 2eej s LEU 49 Cb 0.00 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.51 2eej s LEU 49 CO 0.00 0.23 0.20 -0.62 0.23 0.00 0.00 176.35 176.39 2eej n GLU 50 N 0.92 0.92 -0.10 1.70 -0.58 -1.26 -4.37 120.64 117.87 2eej n GLU 50 Ca -0.10 -2.78 0.06 0.00 -0.42 0.00 0.00 57.16 53.92 2eej n GLU 50 Cb 0.53 0.48 0.21 0.00 -0.57 0.00 0.00 31.44 32.08 2eej n GLU 50 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2eej n ASP 51 N -1.63 1.27 -0.03 1.62 5.75 -1.26 -3.37 116.55 118.90 2eej n ASP 51 Ca -0.07 -1.88 0.01 0.00 -0.01 0.00 0.00 54.79 52.84 2eej n ASP 51 Cb 0.50 -0.14 0.02 0.00 -1.03 0.00 0.00 41.12 40.47 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2eej n GLU 52 N 0.15 2.04 -3.01 0.11 -0.58 -1.23 -4.48 120.64 113.63 2eej n GLU 52 Ca 0.11 -1.43 -0.40 0.00 -0.42 0.00 0.00 57.16 55.02 2eej n GLU 52 Cb 0.22 -0.95 -0.05 0.00 -0.57 0.00 0.00 31.44 30.10 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 -1.05 7.07 -0.11 1.62 1.01 -1.22 -4.83 116.67 119.15 2eej s ASP 53 Ca 0.04 1.28 -0.01 0.00 0.71 0.00 0.00 52.55 54.57 2eej s ASP 53 Cb 0.04 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 2eej s ASP 53 CO 0.00 -0.09 -0.05 0.68 0.21 0.00 0.00 175.17 175.93 2eej s VAL 54 N 0.58 3.86 -0.84 -1.27 -7.23 -1.26 0.88 120.40 115.12 2eej s VAL 54 Ca 0.39 -0.40 -0.25 0.00 -1.81 0.00 0.00 61.98 59.91 2eej s VAL 54 Cb -0.19 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.14 2eej s VAL 54 CO 0.20 0.56 1.50 -0.63 -0.31 0.00 0.00 175.10 176.42 2eej s ILE 55 N -0.33 3.71 0.00 -0.62 1.09 -1.25 -3.97 121.20 119.83 2eej s ILE 55 Ca 0.05 -0.13 -0.23 0.00 -1.10 0.00 0.00 60.65 59.24 2eej s ILE 55 Cb -0.12 -4.73 -0.18 0.00 -1.06 0.00 0.00 42.46 36.36 2eej s ILE 55 CO 0.02 -1.65 1.24 0.40 -0.10 0.00 0.00 174.94 174.85 2eej h ILE 56 N 6.57 1.41 -3.73 2.92 2.04 -0.59 -3.41 117.51 122.72 2eej h ILE 56 Ca -0.06 -1.43 -0.27 0.00 1.00 0.00 0.00 64.86 64.10 2eej h ILE 56 Cb 1.04 2.18 -0.15 0.00 -0.74 0.00 0.00 36.82 39.16 2eej h ILE 56 CO 1.32 0.40 -0.68 -1.61 0.00 0.00 0.00 178.15 177.57 2eej s GLU 57 N -3.99 1.00 -0.19 2.37 2.02 -1.23 -2.22 118.70 116.46 2eej s GLU 57 Ca -0.15 -1.45 -0.04 0.00 0.02 0.00 0.00 54.97 53.35 2eej s GLU 57 Cb 0.03 -0.30 0.09 0.00 0.10 0.00 0.00 34.13 34.06 2eej s GLU 57 CO 0.73 -0.06 0.28 0.54 0.02 0.00 0.00 175.26 176.77 2eej s VAL 58 N -3.60 -0.43 -1.06 2.63 0.11 -0.73 -2.54 120.40 114.79 2eej s VAL 58 Ca 0.19 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2eej s VAL 58 Cb 0.05 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 2eej s VAL 58 CO 0.00 -0.06 0.90 0.59 -3.33 0.00 0.00 175.10 173.19 2eej n ASN 59 N 5.34 -3.23 -3.33 3.54 3.02 -1.18 -3.64 115.26 115.78 2eej n ASN 59 Ca -0.05 -0.59 -0.16 0.00 -0.03 0.00 0.00 54.58 53.75 2eej n ASN 59 Cb 0.50 -4.77 0.05 0.00 -0.61 0.00 0.00 39.78 34.95 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 -1.16 -1.15 3.58 7.41 0.00 -1.26 -5.02 105.19 107.59 2eej n GLY 60 Ca -0.21 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.30 0.00 -0.20 1.61 0.11 -1.24 -5.14 120.40 112.24 2eej s VAL 61 Ca 0.34 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 59.19 2eej s VAL 61 Cb -0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 2eej s VAL 61 CO 0.78 0.00 0.60 0.21 -3.33 0.00 0.00 175.10 173.36 2eej s ASN 62 N -0.91 6.66 0.00 3.54 3.84 -1.26 -1.77 114.94 125.04 2eej s ASN 62 Ca -0.01 0.80 0.00 0.00 0.21 0.00 0.00 52.86 53.86 2eej s ASN 62 Cb -0.01 -2.34 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 2eej s ASN 62 CO 0.01 -0.25 0.66 1.33 -2.79 0.00 0.00 177.10 176.06 2eej n VAL 63 N 4.64 0.44 -0.09 -5.21 0.24 -0.94 -4.81 118.33 112.60 2eej n VAL 63 Ca -0.02 -0.57 -0.07 0.00 -2.04 0.00 0.00 64.34 61.64 2eej n VAL 63 Cb 0.50 0.89 -0.00 0.00 -1.47 0.00 0.00 33.84 33.76 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 0.00 -0.73 -0.63 1.34 3.38 -1.75 -1.43 115.31 115.49 2eej h LEU 64 Ca 0.00 0.15 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 2eej h LEU 64 Cb 0.46 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2eej h LEU 64 CO 0.00 -0.25 -0.14 0.44 0.09 0.00 0.00 178.44 178.58 2eej h ASP 65 N -0.17 0.94 -3.05 -0.43 3.32 -1.91 0.59 116.42 115.71 2eej h ASP 65 Ca 0.17 -0.32 -0.58 0.00 0.02 0.00 0.00 57.03 56.33 2eej h ASP 65 Cb 0.44 -0.26 0.15 0.00 0.22 0.00 0.00 39.33 39.89 2eej h ASP 65 CO -0.45 1.07 -0.10 -0.62 -1.72 0.00 0.00 179.24 177.42 2eej n GLU 66 N -4.14 0.87 -0.00 3.56 -0.58 -0.54 -4.63 120.64 115.18 2eej n GLU 66 Ca 0.01 0.32 -0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2eej n GLU 66 Cb 0.41 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 -0.13 -1.03 0.04 3.49 -0.04 -1.26 -4.13 135.00 131.93 2eej n PRO 67 Ca 0.11 -0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2eej n PRO 67 Cb 0.44 -0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.52 0.03 0.00 0.54 5.03 -1.94 -2.70 116.97 116.41 2eej h TYR 68 Ca -0.00 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.20 2eej h TYR 68 Cb 0.00 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 2eej h TYR 68 CO 0.00 1.02 -0.44 0.93 -1.32 0.00 0.00 178.16 178.35 2eej h GLU 69 N 0.00 0.00 0.00 1.82 5.08 -1.99 -2.01 114.58 117.48 2eej h GLU 69 Ca -0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2eej h GLU 69 Cb 1.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 2eej h GLU 69 CO 0.12 0.44 -0.58 0.87 -1.00 0.00 0.00 179.01 178.85 2eej h LYS 70 N 0.00 0.00 -0.72 2.33 6.56 -1.93 -3.16 116.57 119.65 2eej h LYS 70 Ca -0.00 -0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.62 2eej h LYS 70 Cb 0.94 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.55 2eej h LYS 70 CO 0.06 1.00 0.45 -0.39 -2.06 0.00 0.00 179.45 178.51 2eej h VAL 71 N -0.99 1.08 0.22 0.50 -1.51 -1.54 -2.35 116.25 111.67 2eej h VAL 71 Ca -0.16 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 2eej h VAL 71 Cb 1.15 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2eej h VAL 71 CO -0.09 0.16 -0.11 1.62 -1.23 0.00 0.00 177.57 177.92 2eej h VAL 72 N 0.87 0.79 -0.96 7.19 3.04 -1.52 -1.78 116.25 123.88 2eej h VAL 72 Ca 0.30 -0.05 0.18 0.00 -1.01 0.00 0.00 66.70 66.11 2eej h VAL 72 Cb 0.05 0.83 -0.11 0.00 -2.01 0.00 0.00 31.29 30.05 2eej h VAL 72 CO -0.12 0.01 0.55 -0.78 -1.01 0.00 0.00 177.57 176.22 2eej h ASP 73 N -0.32 0.69 -0.52 3.17 1.82 -1.46 0.31 116.42 120.09 2eej h ASP 73 Ca -0.03 0.10 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 2eej h ASP 73 Cb 0.25 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2eej h ASP 73 CO 0.05 0.24 0.03 0.03 -1.61 0.00 0.00 179.24 177.98 2eej h ARG 74 N 0.70 0.90 -0.09 0.28 3.08 -1.09 0.32 114.38 118.49 2eej h ARG 74 Ca 0.55 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 2eej h ARG 74 Cb 0.85 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2eej h ARG 74 CO -0.39 0.91 -0.49 0.82 -1.07 0.00 0.00 179.97 179.75 2eej h ILE 75 N 0.78 1.34 0.17 2.04 2.04 -0.12 -1.33 117.51 122.42 2eej h ILE 75 Ca 0.15 -1.71 -0.29 0.00 1.00 0.00 0.00 64.86 64.01 2eej h ILE 75 Cb 0.48 1.82 0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2eej h ILE 75 CO 0.02 0.51 -1.24 1.56 0.00 0.00 0.00 178.15 179.00 2eej h GLN 76 N 0.18 0.54 0.00 2.37 4.20 -0.27 -3.28 115.11 118.85 2eej h GLN 76 Ca 0.01 -0.81 -0.09 0.00 0.06 0.00 0.00 58.65 57.82 2eej h GLN 76 Cb 0.93 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2eej h GLN 76 CO 0.08 1.37 -0.43 1.03 -0.67 0.00 0.00 178.83 180.21 2eej h SER 77 N 0.12 0.00 -0.96 1.46 0.87 -0.34 -3.12 113.55 111.58 2eej h SER 77 Ca -0.20 0.00 0.30 0.00 -1.23 0.00 0.00 61.79 60.66 2eej h SER 77 Cb 1.94 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.74 2eej h SER 77 CO 0.24 0.43 0.34 -1.28 -0.53 0.00 0.00 176.83 176.02 2eej h SER 78 N 0.00 0.09 0.00 6.23 0.87 -1.30 -3.47 113.55 115.97 2eej h SER 78 Ca -0.00 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2eej h SER 78 Cb 0.79 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2eej h SER 78 CO 0.06 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.71 2eej n GLY 79 N -1.36 0.12 0.12 5.77 0.00 -1.18 -4.70 105.19 103.95 2eej n GLY 79 Ca 0.28 -1.61 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 2eej n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2eej h LYS 80 N 0.00 0.27 -6.30 1.61 2.10 -1.91 -3.46 116.57 108.88 2eej h LYS 80 Ca 0.00 -0.45 -0.68 0.00 -2.00 0.00 0.00 60.65 57.51 2eej h LYS 80 Cb 0.00 0.17 -0.19 0.00 -0.90 0.00 0.00 32.23 31.31 2eej h LYS 80 CO 0.00 1.22 -0.73 -0.80 -2.00 0.00 0.00 179.45 177.14 2eej s ASN 81 N -6.99 4.42 -0.22 7.07 0.01 -1.26 -0.23 114.94 117.74 2eej s ASN 81 Ca -0.17 -0.16 -0.11 0.00 -0.71 0.00 0.00 52.86 51.72 2eej s ASN 81 Cb 0.03 -1.00 0.08 0.00 0.41 0.00 0.00 41.25 40.77 2eej s ASN 81 CO 0.80 0.31 0.51 0.54 -1.51 0.00 0.00 177.10 177.75 2eej s VAL 82 N -0.90 -0.25 -0.18 1.60 0.11 -1.21 -4.89 120.40 114.69 2eej s VAL 82 Ca 0.15 0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 2eej s VAL 82 Cb -0.11 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.95 2eej s VAL 82 CO 0.05 0.03 0.69 -0.89 -3.33 0.00 0.00 175.10 171.65 2eej s THR 83 N 1.88 4.98 -0.05 5.04 2.01 -1.26 -3.30 115.64 124.94 2eej s THR 83 Ca -0.08 1.33 0.06 0.00 0.31 0.00 0.00 61.69 63.32 2eej s THR 83 Cb -0.09 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2eej s THR 83 CO -0.15 0.10 -0.25 -0.76 -0.69 0.00 0.00 174.62 172.87 2eej s LEU 84 N 1.88 2.06 -0.38 4.42 1.43 -1.23 -3.12 118.68 123.74 2eej s LEU 84 Ca 0.32 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 2eej s LEU 84 Cb -0.16 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.71 2eej s LEU 84 CO 0.11 0.25 0.27 -0.22 0.23 0.00 0.00 176.35 177.00 2eej s LEU 85 N -0.24 4.81 0.14 1.79 0.20 -1.05 -3.99 118.68 120.35 2eej s LEU 85 Ca -0.01 -0.65 0.06 0.00 0.69 0.00 0.00 54.13 54.22 2eej s LEU 85 Cb -0.13 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 2eej s LEU 85 CO 0.03 -0.35 0.01 0.68 -0.29 0.00 0.00 176.35 176.43 2eej s VAL 86 N 1.71 3.87 -0.13 1.68 -7.23 -1.25 0.23 120.40 119.27 2eej s VAL 86 Ca 0.06 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 58.88 2eej s VAL 86 Cb -0.18 -2.91 0.04 0.00 0.56 0.00 0.00 36.38 33.89 2eej s VAL 86 CO 0.10 -0.02 0.34 0.00 -0.31 0.00 0.00 175.10 175.22 2eej n GLY 88 N 3.31 0.66 3.55 0.00 0.00 -1.26 -4.63 105.19 106.83 2eej n GLY 88 Ca -0.16 -2.10 -0.60 0.00 0.00 0.00 0.00 46.02 43.15 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 0.06 -4.17 1.61 0.00 -1.26 -4.95 118.16 109.45 2eej n LYS 89 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 58.31 58.17 2eej n LYS 89 Cb 0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 35.03 33.38 2eej n LYS 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2eej s LYS 90 N 0.64 0.67 -0.43 1.64 0.00 -1.26 -4.81 119.74 116.20 2eej s LYS 90 Ca 0.94 -0.71 -0.17 0.00 0.00 0.00 0.00 55.97 56.02 2eej s LYS 90 Cb -1.30 -0.58 0.03 0.00 0.00 0.00 0.00 37.83 35.98 2eej s LYS 90 CO 0.62 0.13 0.43 0.45 0.00 0.00 0.00 175.35 176.97 2eej s SER 91 N -1.29 6.18 0.00 0.03 0.15 -1.26 -5.06 113.70 112.45 2eej s SER 91 Ca -0.04 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2eej s SER 91 Cb -0.08 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2eej s SER 91 CO 0.01 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2eej n GLY 92 N 5.12 -1.14 3.56 9.45 0.00 -1.26 -4.87 105.19 116.06 2eej n GLY 92 Ca -0.08 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 2eej n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 93 N 0.00 2.56 0.07 1.61 0.04 -1.26 -4.95 135.00 133.07 2eej s PRO 93 Ca 0.00 -0.20 0.06 0.00 0.04 0.00 0.00 61.00 60.90 2eej s PRO 93 Cb 0.00 -4.99 -0.04 0.00 0.04 0.00 0.00 34.50 29.51 2eej s PRO 93 CO 0.00 -3.31 -0.10 -1.54 0.04 0.00 0.00 177.00 172.09 2eej s SER 94 N 8.05 4.40 -0.18 6.66 1.04 -1.26 -5.12 113.70 127.29 2eej s SER 94 Ca 0.70 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 2eej s SER 94 Cb -0.07 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.14 2eej s SER 94 CO 0.01 0.22 -0.05 -0.44 0.98 0.00 0.00 173.24 173.96 2eej s SER 95 N -1.89 4.46 0.00 7.02 0.01 -1.26 -5.26 113.70 116.78 2eej s SER 95 Ca 0.19 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.18 2eej s SER 95 Cb -0.11 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2eej s SER 95 CO 0.11 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.45