#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 7.16 0.24 1.61 0.01 -1.26 -5.06 113.70 116.40 2eej s SER 2 Ca 0.00 1.40 0.10 0.00 1.31 0.00 0.00 55.95 58.76 2eej s SER 2 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2eej s SER 2 CO 0.00 -0.08 -0.09 -0.94 0.41 0.00 0.00 173.24 172.54 2eej s SER 3 N 0.44 4.19 0.00 2.44 1.04 -1.26 -5.04 113.70 115.51 2eej s SER 3 Ca 0.41 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2eej s SER 3 Cb -0.20 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.27 2eej s SER 3 CO 0.22 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.10 2eej n GLY 4 N -0.49 1.19 3.80 7.32 0.00 -1.26 -5.17 105.19 110.59 2eej n GLY 4 Ca -0.08 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 5.42 0.37 1.61 0.15 -1.26 -5.12 113.70 114.87 2eej s SER 5 Ca 0.00 -0.28 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 2eej s SER 5 Cb 0.00 -1.35 -0.07 0.00 -1.71 0.00 0.00 66.02 62.88 2eej s SER 5 CO 0.00 -0.02 0.75 -0.44 1.20 0.00 0.00 173.24 174.73 2eej s SER 6 N -3.74 6.63 0.00 5.45 0.01 -1.26 -5.05 113.70 115.74 2eej s SER 6 Ca 0.32 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.77 2eej s SER 6 Cb -0.08 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2eej s SER 6 CO 0.24 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2eej n GLY 7 N -0.90 0.92 1.52 3.44 0.00 -1.26 -5.13 105.19 103.78 2eej n GLY 7 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2eej n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eej n PRO 8 N 0.00 -1.94 -4.34 1.61 -0.04 -1.26 -5.07 135.00 123.96 2eej n PRO 8 Ca 0.00 -0.76 -0.20 0.00 -0.04 0.00 0.00 63.50 62.50 2eej n PRO 8 Cb 0.00 -0.71 -0.13 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.08 0.94 -0.33 0.54 -2.85 -1.21 -5.06 119.74 107.70 2eej s LYS 9 Ca 0.31 -0.80 -0.08 0.00 -1.00 0.00 0.00 55.97 54.40 2eej s LYS 9 Cb -0.03 -0.96 0.02 0.00 -2.06 0.00 0.00 37.83 34.80 2eej s LYS 9 CO 0.24 0.23 0.13 -1.17 0.10 0.00 0.00 175.35 174.88 2eej s LEU 10 N -1.24 4.20 -0.02 2.77 1.98 -1.26 -3.82 118.68 121.29 2eej s LEU 10 Ca 0.01 -0.83 0.08 0.00 -2.89 0.00 0.00 54.13 50.51 2eej s LEU 10 Cb -0.08 -1.94 -0.02 0.00 0.66 0.00 0.00 46.19 44.81 2eej s LEU 10 CO 0.01 -0.27 -0.25 0.00 -1.89 0.00 0.00 176.35 173.96 2eej s ARG 12 N -0.60 3.16 0.45 0.00 3.00 -1.26 -3.72 118.95 119.98 2eej s ARG 12 Ca 0.10 -0.80 -0.15 0.00 0.00 0.00 0.00 55.73 54.87 2eej s ARG 12 Cb -0.10 -3.29 -0.08 0.00 0.00 0.00 0.00 34.95 31.48 2eej s ARG 12 CO -0.01 -0.39 0.89 -0.51 0.00 0.00 0.00 175.30 175.29 2eej s LEU 13 N 1.49 3.77 -0.19 2.53 1.43 -0.89 -4.86 118.68 121.97 2eej s LEU 13 Ca 0.03 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.53 2eej s LEU 13 Cb -0.17 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.78 2eej s LEU 13 CO 0.01 -0.47 0.05 0.00 0.23 0.00 0.00 176.35 176.17 2eej s ALA 14 N -2.43 0.87 0.02 4.21 0.00 -1.26 -3.06 121.76 120.11 2eej s ALA 14 Ca 0.57 -0.60 -0.33 0.00 0.00 0.00 0.00 51.96 51.60 2eej s ALA 14 Cb -0.10 -1.14 -0.12 0.00 0.00 0.00 0.00 23.12 21.77 2eej s ALA 14 CO 0.28 -1.16 1.83 1.17 0.00 0.00 0.00 175.76 177.88 2eej n LYS 15 N 5.10 2.41 0.00 0.00 4.81 0.11 -4.69 118.16 125.91 2eej n LYS 15 Ca -0.08 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 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 4.20 -0.02 3.10 3.14 0.00 -1.26 -4.95 105.19 109.40 2eej n GLY 16 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2eej n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eej s GLU 17 N -0.93 0.72 -1.18 1.61 0.41 -1.26 -4.80 118.70 113.27 2eej s GLU 17 Ca 0.00 -0.70 -0.15 0.00 -0.41 0.00 0.00 54.97 53.71 2eej s GLU 17 Cb 0.00 -0.66 0.15 0.00 -1.78 0.00 0.00 34.13 31.84 2eej s GLU 17 CO 0.00 0.15 0.38 0.09 -0.49 0.00 0.00 175.26 175.39 2eej n ASN 18 N 1.84 -1.50 0.00 -0.19 3.02 -1.26 -4.40 115.26 112.77 2eej n ASN 18 Ca -0.19 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2eej n ASN 18 Cb 0.55 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 -0.85 -1.06 3.69 7.41 0.00 -1.26 -4.76 105.19 108.36 2eej n GLY 19 Ca 0.08 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 3.33 0.20 1.61 2.02 -1.26 -4.23 117.35 119.02 2eej s TYR 20 Ca 0.00 1.39 -0.16 0.00 -0.37 0.00 0.00 57.07 57.93 2eej s TYR 20 Cb 0.00 -3.32 0.20 0.00 -0.40 0.00 0.00 41.96 38.44 2eej s TYR 20 CO 0.00 -0.82 1.61 0.78 -1.57 0.00 0.00 175.55 175.56 2eej h GLY 21 N 8.16 0.27 -1.22 0.71 0.00 -1.86 -3.41 103.07 105.72 2eej h GLY 21 Ca -0.32 0.28 -0.50 0.00 0.00 0.00 0.00 47.33 46.79 2eej h GLY 21 CO 0.87 -0.23 0.23 -0.11 0.00 0.00 0.00 176.54 177.30 2eej s PHE 22 N -6.16 2.02 0.33 5.60 -0.71 -1.26 -4.57 117.98 113.23 2eej s PHE 22 Ca -0.14 1.52 0.04 0.00 -1.04 0.00 0.00 56.93 57.30 2eej s PHE 22 Cb 0.18 -3.19 -0.04 0.00 -1.21 0.00 0.00 43.02 38.77 2eej s PHE 22 CO 0.72 -2.57 0.15 -1.01 -1.34 0.00 0.00 175.22 171.18 2eej s HIS 23 N -2.77 1.67 0.16 3.49 3.76 0.39 -4.94 115.29 117.06 2eej s HIS 23 Ca 0.65 -1.35 0.07 0.00 -0.15 0.00 0.00 55.06 54.28 2eej s HIS 23 Cb -0.20 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.51 2eej s HIS 23 CO 0.58 -0.47 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.47 2eej s LEU 24 N -3.43 3.24 -0.06 0.89 1.02 -1.26 -0.62 118.68 118.46 2eej s LEU 24 Ca 0.34 -0.41 -0.02 0.00 0.02 0.00 0.00 54.13 54.05 2eej s LEU 24 Cb 0.05 -1.92 0.04 0.00 0.02 0.00 0.00 46.19 44.38 2eej s LEU 24 CO 0.17 0.11 0.11 0.21 0.02 0.00 0.00 176.35 176.97 2eej s ASN 25 N -2.81 0.60 -0.30 2.29 3.04 -0.81 -4.85 114.94 112.10 2eej s ASN 25 Ca 0.26 0.20 -0.29 0.00 0.04 0.00 0.00 52.86 53.08 2eej s ASN 25 Cb -0.10 0.08 0.01 0.00 -1.54 0.00 0.00 41.25 39.70 2eej s ASN 25 CO 0.18 -0.21 1.13 0.00 -3.04 0.00 0.00 177.10 175.15 2eej s ALA 26 N 1.85 3.50 -0.24 1.71 0.00 -1.26 -3.35 121.76 123.98 2eej s ALA 26 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 2eej s ALA 26 Cb -0.12 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2eej s ALA 26 CO -0.04 -1.47 0.12 0.42 0.00 0.00 0.00 175.76 174.78 2eej s ILE 27 N 3.72 4.91 -0.46 0.00 -1.09 -1.26 -5.05 121.20 121.97 2eej s ILE 27 Ca 0.48 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.64 2eej s ILE 27 Cb -0.14 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.47 2eej s ILE 27 CO 0.16 0.35 1.37 -0.60 -1.23 0.00 0.00 174.94 174.99 2eej s ARG 28 N 1.19 3.54 0.00 2.79 3.00 -1.26 -3.40 118.95 124.81 2eej s ARG 28 Ca 0.06 0.77 0.00 0.00 -1.00 0.00 0.00 55.73 55.56 2eej s ARG 28 Cb -0.14 -4.03 0.00 0.00 0.00 0.00 0.00 34.95 30.78 2eej s ARG 28 CO 0.05 -1.62 0.00 0.41 0.00 0.00 0.00 175.30 174.13 2eej n GLY 29 N 5.09 4.43 3.56 8.12 0.00 -1.26 -5.11 105.19 120.01 2eej n GLY 29 Ca 0.15 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 3.02 1.08 0.99 1.43 -1.22 -5.13 118.68 118.85 2eej s LEU 30 Ca 0.00 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 2eej s LEU 30 Cb 0.00 -1.73 0.23 0.00 0.03 0.00 0.00 46.19 44.72 2eej s LEU 30 CO 0.00 0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.80 2eej s PRO 31 N -1.36 -0.24 1.75 1.29 0.04 -1.26 -4.70 135.00 130.53 2eej s PRO 31 Ca 0.16 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2eej s PRO 31 Cb -0.11 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2eej s PRO 31 CO 0.06 -3.13 0.00 0.41 0.04 0.00 0.00 177.00 174.38 2eej n GLY 32 N -1.02 -1.05 1.97 0.56 0.00 0.14 -4.94 105.19 100.86 2eej n GLY 32 Ca 0.08 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.19 2.21 -3.88 1.61 7.64 -1.26 -4.69 113.62 112.05 2eej n SER 33 Ca 0.00 -2.06 -0.11 0.00 1.01 0.00 0.00 58.87 57.72 2eej n SER 33 Cb 0.09 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.62 0.08 -0.08 1.43 0.40 -1.21 -2.95 117.98 114.03 2eej s PHE 34 Ca 0.11 -0.22 -0.26 0.00 -0.60 0.00 0.00 56.93 55.96 2eej s PHE 34 Cb -0.01 -0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 2eej s PHE 34 CO 0.07 -0.30 0.81 0.42 0.70 0.00 0.00 175.22 176.91 2eej s ILE 35 N -1.63 4.96 -0.01 0.64 1.01 0.58 -1.92 121.20 124.82 2eej s ILE 35 Ca -0.13 1.65 -0.09 0.00 0.00 0.00 0.00 60.65 62.08 2eej s ILE 35 Cb -0.07 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2eej s ILE 35 CO 0.00 0.16 0.18 -0.75 0.00 0.00 0.00 174.94 174.54 2eej s LYS 36 N 1.24 0.51 -0.73 2.79 2.47 0.21 -3.54 119.74 122.69 2eej s LYS 36 Ca 0.41 -0.30 -0.04 0.00 -1.56 0.00 0.00 55.97 54.49 2eej s LYS 36 Cb -0.18 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.41 2eej s LYS 36 CO 0.19 -0.12 0.63 0.39 0.16 0.00 0.00 175.35 176.59 2eej n GLU 37 N 1.52 -4.22 -3.02 4.03 1.02 -1.26 -0.46 120.64 118.26 2eej n GLU 37 Ca -0.22 0.46 -0.43 0.00 -0.02 0.00 0.00 57.16 56.95 2eej n GLU 37 Cb 0.56 -4.37 -0.05 0.00 -0.02 0.00 0.00 31.44 27.55 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 -3.18 4.67 0.56 2.62 0.11 -1.26 -4.02 120.40 119.90 2eej s VAL 38 Ca 0.23 -0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.06 2eej s VAL 38 Cb -0.10 -4.37 -0.05 0.00 -1.53 0.00 0.00 36.38 30.32 2eej s VAL 38 CO 0.40 -0.88 1.15 -1.58 -3.33 0.00 0.00 175.10 170.87 2eej s GLN 39 N 3.20 3.25 -0.32 1.54 0.74 -1.26 -4.92 119.66 121.88 2eej s GLN 39 Ca 0.23 1.66 -0.24 0.00 0.05 0.00 0.00 55.36 57.06 2eej s GLN 39 Cb -0.15 -1.99 0.00 0.00 1.10 0.00 0.00 33.01 31.97 2eej s GLN 39 CO 0.17 -0.94 0.81 0.21 -0.55 0.00 0.00 175.29 174.99 2eej s LYS 40 N -3.32 3.92 0.00 1.67 2.36 -1.26 -3.63 119.74 119.48 2eej s LYS 40 Ca 0.74 0.56 0.00 0.00 -2.55 0.00 0.00 55.97 54.71 2eej s LYS 40 Cb -0.25 -3.75 0.00 0.00 -1.05 0.00 0.00 37.83 32.78 2eej s LYS 40 CO 0.29 -0.75 0.00 0.41 1.55 0.00 0.00 175.35 176.85 2eej n GLY 41 N 4.26 1.55 0.00 5.54 0.00 -1.26 -5.08 105.19 110.20 2eej n GLY 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.79 0.24 -0.02 0.00 -1.24 -4.77 105.19 98.41 2eej n GLY 42 Ca 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 0.44 1.61 0.13 -1.90 -2.66 132.00 130.37 2eej h PRO 43 Ca 0.00 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 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 -0.21 0.00 -0.23 0.00 0.00 178.00 178.57 2eej h ALA 44 N 0.94 -0.85 -0.37 -0.56 0.00 -1.92 -2.57 119.26 113.93 2eej h ALA 44 Ca 0.05 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2eej h ALA 44 Cb 0.96 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 2eej h ALA 44 CO 0.09 -0.80 -0.40 0.22 0.00 0.00 0.00 179.25 178.35 2eej h ASP 45 N -0.79 -1.33 -0.84 0.00 3.58 -1.74 0.21 116.42 115.50 2eej h ASP 45 Ca -0.06 0.21 0.21 0.00 0.42 0.00 0.00 57.03 57.80 2eej h ASP 45 Cb 0.46 0.59 -0.13 0.00 1.72 0.00 0.00 39.33 41.96 2eej h ASP 45 CO 0.10 -0.37 0.22 -0.07 -2.88 0.00 0.00 179.24 176.24 2eej h LEU 46 N -0.33 0.00 -1.41 2.28 3.38 -1.56 0.77 115.31 118.44 2eej h LEU 46 Ca 0.14 0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 2eej h LEU 46 Cb 0.58 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2eej h LEU 46 CO -0.54 -0.11 -0.29 0.00 0.09 0.00 0.00 178.44 177.58 2eej h ALA 47 N 1.73 1.37 0.00 1.53 0.00 -0.59 -3.46 119.26 119.82 2eej h ALA 47 Ca 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2eej h ALA 47 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2eej h ALA 47 CO -0.61 0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2eej n GLY 48 N -0.51 0.97 3.71 0.00 0.00 0.27 -4.86 105.19 104.77 2eej n GLY 48 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 3.61 0.52 0.99 1.43 -0.88 -4.99 118.68 119.35 2eej s LEU 49 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2eej s LEU 49 Cb 0.00 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 2eej s LEU 49 CO 0.00 0.23 0.01 -1.61 0.23 0.00 0.00 176.35 175.21 2eej s GLU 50 N -1.93 2.22 0.00 1.70 2.02 -1.26 -4.26 118.70 117.19 2eej s GLU 50 Ca 0.23 -2.44 0.11 0.00 0.02 0.00 0.00 54.97 52.89 2eej s GLU 50 Cb -0.12 -1.43 0.43 0.00 0.10 0.00 0.00 34.13 33.11 2eej s GLU 50 CO 0.15 -0.43 1.31 -0.40 0.02 0.00 0.00 175.26 175.91 2eej n ASP 51 N -1.33 1.05 0.00 -0.19 5.75 -1.26 -3.30 116.55 117.26 2eej n ASP 51 Ca -0.21 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 2eej n ASP 51 Cb 0.67 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.01 5.44 -2.13 0.11 1.02 -1.23 -4.45 120.64 119.42 2eej n GLU 52 Ca 0.10 -0.08 -0.37 0.00 -0.02 0.00 0.00 57.16 56.79 2eej n GLU 52 Cb 0.19 -0.56 0.01 0.00 -0.02 0.00 0.00 31.44 31.05 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 -0.80 5.74 0.19 1.62 1.11 -1.21 -4.54 116.67 118.79 2eej s ASP 53 Ca 0.00 2.38 0.10 0.00 0.18 0.00 0.00 52.55 55.21 2eej s ASP 53 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2eej s ASP 53 CO 0.00 -1.21 -0.16 0.68 1.18 0.00 0.00 175.17 175.65 2eej s VAL 54 N -1.55 2.79 -0.48 -1.27 -7.23 -1.26 -0.31 120.40 111.08 2eej s VAL 54 Ca 0.69 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.82 2eej s VAL 54 Cb -0.30 -2.37 0.07 0.00 0.56 0.00 0.00 36.38 34.33 2eej s VAL 54 CO 0.35 -0.14 0.48 -0.63 -0.31 0.00 0.00 175.10 174.86 2eej s ILE 55 N -1.75 5.10 -0.07 -0.62 1.01 -1.15 -3.94 121.20 119.77 2eej s ILE 55 Ca 0.23 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 2eej s ILE 55 Cb -0.08 -4.19 -0.29 0.00 0.01 0.00 0.00 42.46 37.91 2eej s ILE 55 CO 0.13 -0.66 0.71 0.40 0.00 0.00 0.00 174.94 175.52 2eej h ILE 56 N 5.79 1.20 -4.75 2.92 2.04 -1.08 -3.38 117.51 120.25 2eej h ILE 56 Ca -0.28 -2.48 -0.45 0.00 1.00 0.00 0.00 64.86 62.66 2eej h ILE 56 Cb 1.10 2.90 -0.12 0.00 -0.74 0.00 0.00 36.82 39.97 2eej h ILE 56 CO 0.91 0.72 -0.41 -1.84 0.00 0.00 0.00 178.15 177.53 2eej n GLU 57 N -3.96 0.48 -3.15 2.37 0.28 -1.25 -1.60 120.64 113.82 2eej n GLU 57 Ca -0.21 -3.30 0.04 0.00 -0.16 0.00 0.00 57.16 53.53 2eej n GLU 57 Cb 0.90 2.80 -0.01 0.00 1.43 0.00 0.00 31.44 36.56 2eej n GLU 57 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2eej s VAL 58 N -3.27 -0.93 -0.72 3.84 0.11 -0.63 -3.14 120.40 115.67 2eej s VAL 58 Ca 0.39 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.41 2eej s VAL 58 Cb 0.01 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2eej s VAL 58 CO 0.27 0.00 0.30 0.59 -3.33 0.00 0.00 175.10 172.93 2eej n ASN 59 N 5.43 -3.69 -1.92 3.54 3.02 -1.12 -3.89 115.26 116.62 2eej n ASN 59 Ca -0.01 -0.14 -0.04 0.00 -0.03 0.00 0.00 54.58 54.36 2eej n ASN 59 Cb 0.52 -2.57 0.02 0.00 -0.61 0.00 0.00 39.78 37.14 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 -1.11 0.33 3.64 7.41 0.00 -1.26 -5.08 105.19 109.12 2eej n GLY 60 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.10 0.00 -0.69 1.61 0.11 -1.25 -5.11 120.40 111.96 2eej s VAL 61 Ca 0.10 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.88 2eej s VAL 61 Cb -0.01 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2eej s VAL 61 CO 0.20 0.00 1.41 0.21 -3.33 0.00 0.00 175.10 173.59 2eej s ASN 62 N 1.31 5.98 -0.53 3.54 3.84 -1.26 -1.61 114.94 126.21 2eej s ASN 62 Ca -0.08 -0.21 0.02 0.00 0.21 0.00 0.00 52.86 52.80 2eej s ASN 62 Cb -0.04 -2.55 0.59 0.00 -0.55 0.00 0.00 41.25 38.69 2eej s ASN 62 CO -0.15 -1.93 1.96 1.33 -2.79 0.00 0.00 177.10 175.52 2eej n VAL 63 N 6.60 3.36 0.26 -5.21 0.24 -0.63 -4.63 118.33 118.32 2eej n VAL 63 Ca 0.08 -2.30 -0.11 0.00 -2.04 0.00 0.00 64.34 59.97 2eej n VAL 63 Cb 0.50 -0.72 -0.05 0.00 -1.47 0.00 0.00 33.84 32.10 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 1.36 -0.58 -1.54 1.34 3.38 -1.83 -3.23 115.31 114.22 2eej h LEU 64 Ca 0.63 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.59 2eej h LEU 64 Cb 2.12 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 43.01 2eej h LEU 64 CO 1.28 -0.29 -0.01 -0.78 0.09 0.00 0.00 178.44 178.73 2eej h ASP 65 N -0.94 0.26 -3.06 -0.43 3.58 -1.93 0.43 116.42 114.33 2eej h ASP 65 Ca -0.07 -0.03 -0.58 0.00 0.42 0.00 0.00 57.03 56.76 2eej h ASP 65 Cb 0.53 -0.07 0.13 0.00 1.72 0.00 0.00 39.33 41.64 2eej h ASP 65 CO 0.12 0.32 0.15 -0.62 -2.88 0.00 0.00 179.24 176.32 2eej n GLU 66 N -4.37 1.32 -0.29 0.28 -0.58 -1.22 -4.77 120.64 111.01 2eej n GLU 66 Ca -0.00 0.47 -0.08 0.00 -0.42 0.00 0.00 57.16 57.13 2eej n GLU 66 Cb 0.19 -2.03 0.07 0.00 -0.57 0.00 0.00 31.44 29.09 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 0.12 -1.62 0.11 3.49 -0.04 -1.26 -4.15 135.00 131.65 2eej n PRO 67 Ca 0.10 -0.49 -0.00 0.00 -0.04 0.00 0.00 63.50 63.06 2eej n PRO 67 Cb 0.39 -0.46 -0.03 0.00 -0.04 0.00 0.00 33.50 33.37 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 -1.86 0.00 -0.00 0.54 5.03 -1.94 -2.82 116.97 115.92 2eej h TYR 68 Ca -0.12 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.01 2eej h TYR 68 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 2eej h TYR 68 CO 0.00 0.65 -0.84 0.93 -1.32 0.00 0.00 178.16 177.58 2eej h GLU 69 N 0.00 0.18 0.01 1.82 5.08 -1.99 -2.43 114.58 117.24 2eej h GLU 69 Ca -0.02 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2eej h GLU 69 Cb 1.52 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2eej h GLU 69 CO 0.08 0.92 -0.00 0.87 -1.00 0.00 0.00 179.01 179.87 2eej h LYS 70 N 0.10 -0.01 -0.41 2.33 1.79 -1.92 -2.67 116.57 115.77 2eej h LYS 70 Ca -0.04 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2eej h LYS 70 Cb 1.46 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.08 2eej h LYS 70 CO 0.13 0.78 0.23 -0.39 -1.08 0.00 0.00 179.45 179.11 2eej h VAL 71 N -0.84 1.01 0.26 0.50 -1.51 -1.60 -2.21 116.25 111.87 2eej h VAL 71 Ca -0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 2eej h VAL 71 Cb 0.79 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2eej h VAL 71 CO 0.00 0.08 -0.13 1.62 -1.23 0.00 0.00 177.57 177.91 2eej h VAL 72 N 0.46 0.72 -1.00 7.19 3.04 -1.55 -2.46 116.25 122.65 2eej h VAL 72 Ca 0.17 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 66.07 2eej h VAL 72 Cb 0.04 0.72 -0.11 0.00 -2.01 0.00 0.00 31.29 29.93 2eej h VAL 72 CO -0.10 0.00 0.61 -0.78 -1.01 0.00 0.00 177.57 176.29 2eej h ASP 73 N -0.36 0.74 -0.45 3.17 3.58 -1.29 0.24 116.42 122.05 2eej h ASP 73 Ca -0.03 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2eej h ASP 73 Cb 0.29 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2eej h ASP 73 CO 0.05 0.22 0.22 0.03 -2.88 0.00 0.00 179.24 176.87 2eej h ARG 74 N 0.70 0.64 -0.24 0.28 3.08 -0.98 0.21 114.38 118.06 2eej h ARG 74 Ca 0.60 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 60.41 2eej h ARG 74 Cb 1.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2eej h ARG 74 CO -0.41 0.55 -0.44 0.82 -1.07 0.00 0.00 179.97 179.42 2eej h ILE 75 N 0.58 1.30 -0.11 2.04 2.04 -0.53 -1.81 117.51 121.02 2eej h ILE 75 Ca 0.15 -1.63 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 2eej h ILE 75 Cb 0.12 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2eej h ILE 75 CO -0.02 0.51 -0.10 1.56 0.00 0.00 0.00 178.15 180.11 2eej h GLN 76 N 0.48 0.26 -0.70 2.37 4.20 -0.38 -3.22 115.11 118.12 2eej h GLN 76 Ca 0.03 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2eej h GLN 76 Cb 0.96 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 2eej h GLN 76 CO 0.09 0.66 0.33 1.03 -0.67 0.00 0.00 178.83 180.27 2eej h SER 77 N -0.13 0.93 -0.74 1.46 0.87 -0.61 -2.95 113.55 112.38 2eej h SER 77 Ca 0.02 -0.14 0.22 0.00 -1.23 0.00 0.00 61.79 60.66 2eej h SER 77 Cb 0.60 -0.24 -0.14 0.00 -0.44 0.00 0.00 62.40 62.19 2eej h SER 77 CO 0.02 0.81 0.06 -1.54 -0.53 0.00 0.00 176.83 175.65 2eej n SER 78 N -4.43 -0.04 0.00 6.23 3.41 -0.68 -4.87 113.62 113.24 2eej n SER 78 Ca 0.06 1.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 2eej n SER 78 Cb 0.14 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.35 0.61 0.09 5.00 0.00 -1.12 -4.70 105.19 103.72 2eej n GLY 79 Ca 0.19 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 0.52 -3.59 1.61 5.02 -1.26 -4.89 118.16 115.57 2eej n LYS 80 Ca 0.00 0.51 -0.34 0.00 -2.02 0.00 0.00 58.31 56.46 2eej n LYS 80 Cb 0.00 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 2eej n LYS 80 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2eej s ASN 81 N -6.41 6.62 -0.23 4.39 4.22 -1.26 -0.71 114.94 121.55 2eej s ASN 81 Ca -0.24 0.77 -0.20 0.00 -2.14 0.00 0.00 52.86 51.04 2eej s ASN 81 Cb 0.05 -2.17 0.06 0.00 1.28 0.00 0.00 41.25 40.48 2eej s ASN 81 CO 0.42 0.15 0.62 0.54 -2.04 0.00 0.00 177.10 176.79 2eej s VAL 82 N -1.45 -0.00 -0.03 3.54 0.11 -1.17 -4.85 120.40 116.56 2eej s VAL 82 Ca 0.34 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2eej s VAL 82 Cb -0.14 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2eej s VAL 82 CO 0.19 0.00 0.14 -0.89 -3.33 0.00 0.00 175.10 171.21 2eej s THR 83 N 0.50 5.20 -0.12 5.04 2.01 -1.26 -2.09 115.64 124.92 2eej s THR 83 Ca -0.01 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2eej s THR 83 Cb -0.05 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 69.12 2eej s THR 83 CO -0.02 0.38 0.30 -0.76 -0.69 0.00 0.00 174.62 173.84 2eej s LEU 84 N -1.71 0.49 -0.36 4.42 1.43 -1.24 -2.80 118.68 118.90 2eej s LEU 84 Ca 0.24 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 53.79 2eej s LEU 84 Cb -0.12 0.98 -0.00 0.00 0.03 0.00 0.00 46.19 47.07 2eej s LEU 84 CO 0.15 -0.15 0.48 -0.22 0.23 0.00 0.00 176.35 176.84 2eej s LEU 85 N 0.85 4.40 -0.11 1.79 0.20 -1.19 -4.16 118.68 120.46 2eej s LEU 85 Ca -0.06 -0.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.62 2eej s LEU 85 Cb -0.07 -2.53 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 2eej s LEU 85 CO -0.06 -0.47 -0.01 0.68 -0.29 0.00 0.00 176.35 176.20 2eej s VAL 86 N 2.32 4.15 -0.26 1.68 -7.23 -1.25 -0.41 120.40 119.39 2eej s VAL 86 Ca 0.17 -0.29 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 2eej s VAL 86 Cb -0.16 -2.77 0.09 0.00 0.56 0.00 0.00 36.38 34.11 2eej s VAL 86 CO 0.13 0.56 0.61 0.00 -0.31 0.00 0.00 175.10 176.10 2eej n GLY 88 N 4.77 0.38 3.37 0.00 0.00 -1.26 -4.69 105.19 107.76 2eej n GLY 88 Ca -0.17 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 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 0.22 0.07 1.61 3.00 -1.26 -4.95 118.16 116.85 2eej n LYS 89 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2eej n LYS 89 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 35.03 33.48 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 0.14 0.00 -3.57 1.64 5.02 -1.26 -4.62 118.16 115.51 2eej n LYS 90 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.26 2eej n LYS 90 Cb 0.50 -0.19 -0.05 0.00 -0.02 0.00 0.00 35.03 35.27 2eej n LYS 90 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eej s SER 91 N -5.22 -0.42 1.17 4.39 0.15 -1.26 -4.93 113.70 107.58 2eej s SER 91 Ca 0.00 0.46 -0.19 0.00 0.70 0.00 0.00 55.95 56.92 2eej s SER 91 Cb 0.00 0.35 0.28 0.00 -1.71 0.00 0.00 66.02 64.93 2eej s SER 91 CO 0.00 -0.39 1.13 -0.83 1.20 0.00 0.00 173.24 174.36 2eej s GLY 92 N -1.12 1.60 -0.21 9.45 0.00 -1.26 -4.94 107.32 110.85 2eej s GLY 92 Ca -0.03 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 2eej s GLY 92 CO 0.03 -0.10 1.61 2.56 0.00 0.00 0.00 173.10 177.20 2eej s PRO 93 N -5.46 3.82 0.10 2.90 0.04 -1.26 -5.00 135.00 130.14 2eej s PRO 93 Ca 0.71 1.67 0.09 0.00 0.04 0.00 0.00 61.00 63.51 2eej s PRO 93 Cb -0.09 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2eej s PRO 93 CO 0.56 -1.27 -0.22 0.45 0.04 0.00 0.00 177.00 176.56 2eej s SER 94 N 4.14 2.71 -0.15 6.66 0.15 -1.26 -5.07 113.70 120.88 2eej s SER 94 Ca 0.71 -0.69 -0.14 0.00 0.70 0.00 0.00 55.95 56.53 2eej s SER 94 Cb -0.25 -0.16 -0.11 0.00 -1.71 0.00 0.00 66.02 63.79 2eej s SER 94 CO 0.29 0.09 0.13 -1.28 1.20 0.00 0.00 173.24 173.67 2eej h SER 95 N 4.08 0.00 0.00 5.45 0.87 -2.06 -3.56 113.55 118.33 2eej h SER 95 Ca -0.47 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2eej h SER 95 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2eej h SER 95 CO 0.40 0.95 0.00 0.61 -0.53 0.00 0.00 176.83 178.26