#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 1.60 -3.74 1.61 2.88 -1.26 -4.97 113.62 109.73 2eej n SER 2 Ca 0.00 0.23 -0.29 0.00 -1.33 0.00 0.00 58.87 57.48 2eej n SER 2 Cb 0.00 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 62.79 2eej n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2eej n SER 3 N -3.89 -0.84 0.00 -3.46 3.41 -1.26 -4.30 113.62 103.28 2eej n SER 3 Ca -0.42 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 2eej n SER 3 Cb 0.81 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2eej n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 4 N -1.21 0.90 3.24 5.00 0.00 -1.26 -4.94 105.19 106.93 2eej n GLY 4 Ca 0.01 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.52 6.19 0.25 1.61 0.15 -1.26 -5.06 113.70 115.07 2eej s SER 5 Ca 0.00 -2.74 -0.30 0.00 0.70 0.00 0.00 55.95 53.61 2eej s SER 5 Cb 0.00 -2.08 -0.10 0.00 -1.71 0.00 0.00 66.02 62.13 2eej s SER 5 CO 0.00 -0.50 1.38 -0.55 1.20 0.00 0.00 173.24 174.76 2eej s SER 6 N 1.64 6.75 0.00 5.45 0.15 -1.26 -4.93 113.70 121.50 2eej s SER 6 Ca 0.17 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.42 2eej s SER 6 Cb -0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2eej s SER 6 CO -0.07 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2eej n GLY 7 N 2.00 1.19 3.38 9.45 0.00 -1.26 -5.17 105.19 114.78 2eej n GLY 7 Ca 0.05 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.07 -4.49 1.61 -0.04 -1.26 -4.48 135.00 123.27 2eej n PRO 8 Ca 0.00 -1.69 -0.23 0.00 -0.04 0.00 0.00 63.50 61.54 2eej n PRO 8 Cb 0.00 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 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 -5.40 1.18 -0.37 0.54 -2.85 -0.23 -4.94 119.74 107.67 2eej s LYS 9 Ca 0.69 -0.89 -0.15 0.00 -1.00 0.00 0.00 55.97 54.62 2eej s LYS 9 Cb -0.07 -1.26 -0.00 0.00 -2.06 0.00 0.00 37.83 34.44 2eej s LYS 9 CO 0.53 0.32 0.31 -1.17 0.10 0.00 0.00 175.35 175.43 2eej s LEU 10 N -1.24 4.72 -0.14 2.77 1.98 -1.26 -3.46 118.68 122.04 2eej s LEU 10 Ca 0.05 -0.55 -0.00 0.00 -2.89 0.00 0.00 54.13 50.74 2eej s LEU 10 Cb -0.09 -2.22 0.03 0.00 0.66 0.00 0.00 46.19 44.57 2eej s LEU 10 CO 0.02 -0.37 -0.10 0.00 -1.89 0.00 0.00 176.35 174.01 2eej s ARG 12 N 1.59 3.87 0.12 0.00 0.52 -1.26 -3.55 118.95 120.24 2eej s ARG 12 Ca 0.04 0.34 0.07 0.00 -0.52 0.00 0.00 55.73 55.66 2eej s ARG 12 Cb -0.13 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.40 2eej s ARG 12 CO -0.09 0.47 -0.05 -0.51 0.02 0.00 0.00 175.30 175.14 2eej s LEU 13 N -2.13 3.22 -0.21 2.53 1.43 -0.55 -4.87 118.68 118.10 2eej s LEU 13 Ca 0.38 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2eej s LEU 13 Cb -0.14 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.19 2eej s LEU 13 CO 0.19 0.15 0.05 0.00 0.23 0.00 0.00 176.35 176.98 2eej s ALA 14 N -1.40 1.00 -0.57 4.21 0.00 -1.26 -3.37 121.76 120.38 2eej s ALA 14 Ca 0.24 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 2eej s ALA 14 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2eej s ALA 14 CO 0.16 -1.27 2.04 0.21 0.00 0.00 0.00 175.76 176.90 2eej s LYS 15 N 1.87 2.46 -0.20 0.00 2.20 -0.49 -4.75 119.74 120.83 2eej s LYS 15 Ca 0.01 0.89 -0.03 0.00 -0.36 0.00 0.00 55.97 56.48 2eej s LYS 15 Cb -0.17 -4.45 -0.11 0.00 -1.51 0.00 0.00 37.83 31.59 2eej s LYS 15 CO -0.12 -2.90 -0.21 0.41 -0.36 0.00 0.00 175.35 172.17 2eej n GLY 16 N 5.80 -0.29 3.80 5.54 0.00 -1.26 -4.93 105.19 113.84 2eej n GLY 16 Ca 0.26 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2eej n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eej s GLU 17 N -2.39 2.22 -0.85 1.61 2.12 -1.26 -5.00 118.70 115.15 2eej s GLU 17 Ca -0.27 -2.07 -0.25 0.00 0.36 0.00 0.00 54.97 52.74 2eej s GLU 17 Cb 0.08 -1.89 -0.20 0.00 0.26 0.00 0.00 34.13 32.38 2eej s GLU 17 CO 0.42 -0.36 2.48 0.09 -0.54 0.00 0.00 175.26 177.35 2eej n ASN 18 N -1.43 0.57 -0.58 -1.70 3.02 -1.26 -4.28 115.26 109.60 2eej n ASN 18 Ca -0.06 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2eej n ASN 18 Cb 0.65 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 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 6.21 -3.60 0.41 7.41 0.00 -1.26 -4.76 105.19 109.60 2eej n GLY 19 Ca 0.57 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.62 -1.47 0.00 1.61 0.05 -1.94 -3.47 116.97 112.37 2eej h TYR 20 Ca 0.00 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2eej h TYR 20 Cb 0.00 0.67 0.00 0.00 1.01 0.00 0.00 36.73 38.41 2eej h TYR 20 CO 0.00 -0.46 0.00 0.41 -1.05 0.00 0.00 178.16 177.06 2eej n GLY 21 N -1.36 3.14 3.85 3.88 0.00 -1.26 -4.38 105.19 109.06 2eej n GLY 21 Ca -0.04 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 3.38 0.40 1.61 -0.71 -1.26 -4.31 117.98 117.09 2eej s PHE 22 Ca 0.00 1.29 0.04 0.00 -1.04 0.00 0.00 56.93 57.22 2eej s PHE 22 Cb 0.00 -2.84 -0.02 0.00 -1.21 0.00 0.00 43.02 38.95 2eej s PHE 22 CO 0.00 -0.99 0.15 0.72 -1.34 0.00 0.00 175.22 173.76 2eej n HIS 23 N -2.95 0.10 -4.36 3.49 8.25 0.16 -4.94 115.22 114.97 2eej n HIS 23 Ca 0.07 -2.60 -0.28 0.00 -0.26 0.00 0.00 57.72 54.64 2eej n HIS 23 Cb 0.54 0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.54 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 2.51 -0.04 2.41 1.02 -1.26 -0.58 118.68 122.74 2eej s LEU 24 Ca 0.21 -0.70 -0.02 0.00 0.02 0.00 0.00 54.13 53.64 2eej s LEU 24 Cb 0.01 -1.34 0.03 0.00 0.02 0.00 0.00 46.19 44.91 2eej s LEU 24 CO 0.15 0.16 0.07 0.21 0.02 0.00 0.00 176.35 176.96 2eej s ASN 25 N -2.28 0.93 -0.33 2.29 3.84 -0.64 -4.85 114.94 113.90 2eej s ASN 25 Ca 0.18 0.11 -0.28 0.00 0.21 0.00 0.00 52.86 53.07 2eej s ASN 25 Cb -0.10 -0.08 0.02 0.00 -0.55 0.00 0.00 41.25 40.54 2eej s ASN 25 CO 0.09 -0.23 1.05 0.00 -2.79 0.00 0.00 177.10 175.22 2eej s ALA 26 N 2.02 3.48 -0.02 1.71 0.00 -1.26 -3.06 121.76 124.62 2eej s ALA 26 Ca 0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 2eej s ALA 26 Cb -0.12 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 2eej s ALA 26 CO -0.03 -1.50 0.38 0.42 0.00 0.00 0.00 175.76 175.02 2eej s ILE 27 N 3.63 5.10 -0.21 0.00 1.01 -1.26 -4.98 121.20 124.48 2eej s ILE 27 Ca 0.44 0.76 -0.05 0.00 0.00 0.00 0.00 60.65 61.81 2eej s ILE 27 Cb -0.12 -3.68 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 2eej s ILE 27 CO 0.16 0.57 3.17 -1.14 0.00 0.00 0.00 174.94 177.69 2eej n ARG 28 N 1.97 2.15 0.00 2.79 3.00 -1.26 -3.66 116.66 121.65 2eej n ARG 28 Ca -0.14 -1.60 0.00 0.00 -0.00 0.00 0.00 57.85 56.11 2eej n ARG 28 Cb 0.53 -2.03 0.00 0.00 0.00 0.00 0.00 32.46 30.95 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 1.69 0.03 3.09 5.14 0.00 -1.26 -5.13 105.19 108.75 2eej n GLY 29 Ca 0.44 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.69 1.98 1.16 0.99 1.43 -1.24 -5.17 118.68 116.14 2eej s LEU 30 Ca 0.00 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 2eej s LEU 30 Cb 0.00 0.46 0.27 0.00 0.03 0.00 0.00 46.19 46.95 2eej s LEU 30 CO 0.00 -0.49 1.11 -2.16 0.23 0.00 0.00 176.35 175.03 2eej s PRO 31 N -2.65 -0.87 1.81 1.29 0.04 -1.26 -4.57 135.00 128.79 2eej s PRO 31 Ca -0.05 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2eej s PRO 31 Cb -0.01 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2eej s PRO 31 CO -0.05 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 173.90 2eej n GLY 32 N -0.99 -1.27 3.29 0.56 0.00 0.39 -4.92 105.19 102.25 2eej n GLY 32 Ca 0.11 -1.24 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 2eej n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej s SER 33 N -4.00 2.13 0.03 1.61 0.01 -1.26 -4.70 113.70 107.53 2eej s SER 33 Ca 0.00 -0.99 0.07 0.00 1.31 0.00 0.00 55.95 56.34 2eej s SER 33 Cb 0.00 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2eej s SER 33 CO 0.00 -0.25 -0.22 -0.36 0.41 0.00 0.00 173.24 172.83 2eej s PHE 34 N -3.06 1.91 0.06 2.43 0.40 -1.17 -1.08 117.98 117.47 2eej s PHE 34 Ca 0.18 -0.38 -0.31 0.00 -0.60 0.00 0.00 56.93 55.83 2eej s PHE 34 Cb 0.00 -1.15 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 2eej s PHE 34 CO 0.03 0.08 1.32 0.42 0.70 0.00 0.00 175.22 177.77 2eej s ILE 35 N -0.75 3.69 0.02 0.64 1.01 -0.68 -1.62 121.20 123.50 2eej s ILE 35 Ca 0.08 1.17 -0.13 0.00 0.00 0.00 0.00 60.65 61.78 2eej s ILE 35 Cb -0.09 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2eej s ILE 35 CO 0.01 0.06 0.27 -0.75 0.00 0.00 0.00 174.94 174.54 2eej s LYS 36 N 1.47 0.71 -0.93 2.79 2.47 0.25 -3.71 119.74 122.80 2eej s LYS 36 Ca 0.62 -0.42 -0.03 0.00 -1.56 0.00 0.00 55.97 54.59 2eej s LYS 36 Cb -0.32 0.31 0.00 0.00 -1.46 0.00 0.00 37.83 36.36 2eej s LYS 36 CO 0.29 -0.21 0.80 0.39 0.16 0.00 0.00 175.35 176.77 2eej n GLU 37 N 0.91 -5.32 -3.20 4.03 1.02 -1.26 0.40 120.64 117.21 2eej n GLU 37 Ca -0.20 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.13 2eej n GLU 37 Cb 0.58 -4.97 -0.08 0.00 -0.02 0.00 0.00 31.44 26.95 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 -3.25 4.95 0.40 2.62 0.11 -1.26 -3.89 120.40 120.08 2eej s VAL 38 Ca 0.20 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 59.08 2eej s VAL 38 Cb -0.09 -4.08 -0.10 0.00 -1.53 0.00 0.00 36.38 30.58 2eej s VAL 38 CO 0.53 -0.42 1.43 -1.10 -3.33 0.00 0.00 175.10 172.22 2eej s GLN 39 N 2.51 4.00 -0.23 1.54 -0.21 -1.26 -4.95 119.66 121.07 2eej s GLN 39 Ca 0.19 2.45 -0.28 0.00 0.02 0.00 0.00 55.36 57.73 2eej s GLN 39 Cb -0.15 -2.87 0.01 0.00 1.00 0.00 0.00 33.01 30.99 2eej s GLN 39 CO 0.16 -0.57 1.01 0.21 -2.12 0.00 0.00 175.29 173.98 2eej s LYS 40 N -2.17 4.25 0.00 2.91 2.47 -1.26 -3.74 119.74 122.20 2eej s LYS 40 Ca 0.55 1.31 0.00 0.00 -1.56 0.00 0.00 55.97 56.27 2eej s LYS 40 Cb -0.44 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.29 2eej s LYS 40 CO 0.59 -0.61 0.00 0.41 0.16 0.00 0.00 175.35 175.90 2eej n GLY 41 N 3.37 1.30 0.00 5.54 0.00 -1.26 -5.08 105.19 109.06 2eej n GLY 41 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.43 6.71 0.20 -0.02 0.00 -1.25 -4.90 105.19 105.52 2eej n GLY 42 Ca 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 0.37 0.05 1.61 0.13 -1.89 -0.01 132.00 132.27 2eej h PRO 43 Ca 0.00 -0.20 -0.12 0.00 -0.87 0.00 0.00 66.00 64.82 2eej h PRO 43 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 2eej h PRO 43 CO 0.00 0.75 -0.49 0.00 -0.23 0.00 0.00 178.00 178.04 2eej h ALA 44 N 1.22 -0.01 0.44 -0.56 0.00 -1.89 -3.25 119.26 115.21 2eej h ALA 44 Ca 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2eej h ALA 44 Cb 0.91 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2eej h ALA 44 CO 0.08 0.23 -0.21 0.22 0.00 0.00 0.00 179.25 179.56 2eej h ASP 45 N -0.47 -0.50 -0.98 0.00 1.82 -1.73 -0.87 116.42 113.69 2eej h ASP 45 Ca -0.08 -0.09 0.28 0.00 -0.39 0.00 0.00 57.03 56.75 2eej h ASP 45 Cb 1.30 0.13 -0.18 0.00 0.68 0.00 0.00 39.33 41.26 2eej h ASP 45 CO 0.09 -0.10 0.05 0.18 -1.61 0.00 0.00 179.24 177.85 2eej n LEU 46 N -5.20 -0.09 -0.25 2.28 4.77 -0.02 0.15 117.00 118.65 2eej n LEU 46 Ca -0.10 1.66 -0.07 0.00 -0.03 0.00 0.00 56.01 57.47 2eej n LEU 46 Cb 0.29 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2eej n LEU 46 CO 0.27 -1.69 0.97 0.00 -1.33 0.00 0.00 177.39 175.61 2eej h ALA 47 N 1.96 0.89 0.00 -1.18 0.00 -1.58 -3.47 119.26 115.88 2eej h ALA 47 Ca 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2eej h ALA 47 Cb 1.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2eej h ALA 47 CO -0.91 0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.32 2eej n GLY 48 N -0.73 0.85 3.56 0.00 0.00 0.40 -4.98 105.19 104.28 2eej n GLY 48 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 3.50 0.00 0.99 1.43 -0.35 -5.01 118.68 119.24 2eej s LEU 49 Ca 0.00 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2eej s LEU 49 Cb 0.00 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2eej s LEU 49 CO 0.00 0.17 0.25 -0.62 0.23 0.00 0.00 176.35 176.37 2eej n GLU 50 N 3.56 0.98 -0.57 1.70 -0.58 -1.26 -4.25 120.64 120.23 2eej n GLU 50 Ca -0.17 -2.23 -0.10 0.00 -0.42 0.00 0.00 57.16 54.23 2eej n GLU 50 Cb 0.52 0.27 0.09 0.00 -0.57 0.00 0.00 31.44 31.75 2eej n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2eej n ASP 51 N -1.85 3.34 0.00 1.62 8.00 -1.26 -3.73 116.55 122.68 2eej n ASP 51 Ca -0.02 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2eej n ASP 51 Cb 0.41 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2eej n GLU 52 N -0.24 1.61 -1.26 -1.24 -0.58 -1.24 -4.74 120.64 112.95 2eej n GLU 52 Ca 0.27 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.66 2eej n GLU 52 Cb 1.03 -0.74 0.09 0.00 -0.57 0.00 0.00 31.44 31.25 2eej n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2eej n ASP 53 N -1.36 -0.23 -4.42 1.62 8.00 -1.24 -4.75 116.55 114.17 2eej n ASP 53 Ca 0.00 0.61 -0.30 0.00 0.71 0.00 0.00 54.79 55.82 2eej n ASP 53 Cb 0.24 -1.34 -0.13 0.00 -0.02 0.00 0.00 41.12 39.88 2eej n ASP 53 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2eej s VAL 54 N -1.92 2.48 -0.63 2.53 -7.23 -1.26 -1.69 120.40 112.69 2eej s VAL 54 Ca 0.69 -1.54 -0.22 0.00 -1.81 0.00 0.00 61.98 59.11 2eej s VAL 54 Cb -0.33 -2.08 0.08 0.00 0.56 0.00 0.00 36.38 34.60 2eej s VAL 54 CO 0.54 0.18 0.89 -0.63 -0.31 0.00 0.00 175.10 175.77 2eej s ILE 55 N -1.02 4.47 -0.10 -0.62 1.01 -0.24 -4.00 121.20 120.70 2eej s ILE 55 Ca 0.15 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 2eej s ILE 55 Cb -0.10 -4.61 -0.08 0.00 0.01 0.00 0.00 42.46 37.68 2eej s ILE 55 CO 0.06 -1.33 0.32 0.40 0.00 0.00 0.00 174.94 174.40 2eej h ILE 56 N 5.96 0.47 -2.83 2.92 2.04 -1.44 -3.38 117.51 121.25 2eej h ILE 56 Ca -0.29 -1.25 -0.46 0.00 1.00 0.00 0.00 64.86 63.86 2eej h ILE 56 Cb 1.08 0.87 -0.14 0.00 -0.74 0.00 0.00 36.82 37.88 2eej h ILE 56 CO 1.15 0.15 -0.69 -1.83 0.00 0.00 0.00 178.15 176.93 2eej s GLU 57 N -2.08 1.44 -0.13 2.37 -1.05 -1.25 -0.14 118.70 117.86 2eej s GLU 57 Ca -0.06 -1.70 -0.04 0.00 -0.15 0.00 0.00 54.97 53.01 2eej s GLU 57 Cb -0.00 -1.05 0.07 0.00 -0.44 0.00 0.00 34.13 32.70 2eej s GLU 57 CO 0.22 0.06 0.23 0.54 0.95 0.00 0.00 175.26 177.26 2eej s VAL 58 N -3.07 -0.36 -1.29 1.83 0.11 -0.43 -2.90 120.40 114.29 2eej s VAL 58 Ca 0.27 0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 59.51 2eej s VAL 58 Cb 0.03 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 2eej s VAL 58 CO 0.10 0.07 0.58 0.59 -3.33 0.00 0.00 175.10 173.11 2eej n ASN 59 N 5.34 -5.45 -1.99 3.54 3.02 -1.15 -3.63 115.26 114.94 2eej n ASN 59 Ca -0.06 -0.27 -0.03 0.00 -0.03 0.00 0.00 54.58 54.20 2eej n ASN 59 Cb 0.50 -4.26 0.01 0.00 -0.61 0.00 0.00 39.78 35.42 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 -1.45 0.00 3.51 7.41 0.00 -1.26 -5.08 105.19 108.32 2eej n GLY 60 Ca -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.07 -0.13 -0.51 1.61 0.11 -1.24 -5.11 120.40 112.06 2eej s VAL 61 Ca 0.09 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.86 2eej s VAL 61 Cb -0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 2eej s VAL 61 CO 0.22 0.00 1.79 0.21 -3.33 0.00 0.00 175.10 173.98 2eej s ASN 62 N 1.64 5.57 -0.48 3.54 3.84 -1.26 -1.32 114.94 126.48 2eej s ASN 62 Ca -0.06 0.66 0.03 0.00 0.21 0.00 0.00 52.86 53.70 2eej s ASN 62 Cb -0.03 -2.53 0.45 0.00 -0.55 0.00 0.00 41.25 38.59 2eej s ASN 62 CO -0.14 -2.08 1.56 1.33 -2.79 0.00 0.00 177.10 174.98 2eej n VAL 63 N 7.25 3.01 0.06 -5.21 0.24 0.81 -4.73 118.33 119.76 2eej n VAL 63 Ca 0.20 -3.75 -0.12 0.00 -2.04 0.00 0.00 64.34 58.63 2eej n VAL 63 Cb 0.50 -1.16 -0.09 0.00 -1.47 0.00 0.00 33.84 31.62 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 2.17 -0.17 -0.40 1.34 3.38 -1.73 -3.29 115.31 116.62 2eej h LEU 64 Ca 0.47 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 2eej h LEU 64 Cb 1.14 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2eej h LEU 64 CO 1.13 0.28 -0.49 -0.78 0.09 0.00 0.00 178.44 178.67 2eej h ASP 65 N -0.66 0.89 -1.65 -0.43 1.82 -1.91 1.12 116.42 115.60 2eej h ASP 65 Ca -0.02 -0.45 -0.61 0.00 -0.39 0.00 0.00 57.03 55.56 2eej h ASP 65 Cb 0.49 -0.25 0.15 0.00 0.68 0.00 0.00 39.33 40.40 2eej h ASP 65 CO 0.03 1.22 -0.94 -0.62 -1.61 0.00 0.00 179.24 177.33 2eej n GLU 66 N -4.01 0.00 0.00 0.28 -0.58 -1.24 -4.30 120.64 110.79 2eej n GLU 66 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2eej n GLU 66 Cb 0.59 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 2eej n GLU 66 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2eej n PRO 67 N 1.31 0.25 0.03 3.49 -0.04 -1.26 -3.54 135.00 135.24 2eej n PRO 67 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2eej n PRO 67 Cb 0.39 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.76 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 0.71 0.08 0.54 9.36 -1.26 -3.25 117.16 122.09 2eej n TYR 68 Ca 0.00 0.23 -0.09 0.00 3.32 0.00 0.00 57.90 61.36 2eej n TYR 68 Cb 0.00 -0.95 -0.02 0.00 -0.63 0.00 0.00 39.34 37.74 2eej n TYR 68 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2eej h GLU 69 N 0.00 0.20 0.00 2.98 5.08 -1.99 -2.40 114.58 118.46 2eej h GLU 69 Ca -0.15 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2eej h GLU 69 Cb 1.44 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2eej h GLU 69 CO 0.03 0.97 -0.02 0.87 -1.00 0.00 0.00 179.01 179.85 2eej h LYS 70 N 0.11 0.01 -0.87 2.33 6.56 -1.94 -2.57 116.57 120.19 2eej h LYS 70 Ca -0.05 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2eej h LYS 70 Cb 1.53 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 33.15 2eej h LYS 70 CO 0.14 0.98 0.57 -0.39 -2.06 0.00 0.00 179.45 178.68 2eej h VAL 71 N -0.95 1.16 0.04 0.50 -1.51 -1.66 -0.52 116.25 113.31 2eej h VAL 71 Ca -0.00 -0.38 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2eej h VAL 71 Cb 0.99 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 2eej h VAL 71 CO 0.00 0.20 -0.02 1.62 -1.23 0.00 0.00 177.57 178.15 2eej h VAL 72 N 1.12 1.20 -0.90 7.19 3.04 -1.55 -2.59 116.25 123.76 2eej h VAL 72 Ca 0.34 -0.80 0.08 0.00 -1.01 0.00 0.00 66.70 65.31 2eej h VAL 72 Cb -0.03 1.73 -0.06 0.00 -2.01 0.00 0.00 31.29 30.92 2eej h VAL 72 CO -0.11 0.20 0.58 -0.78 -1.01 0.00 0.00 177.57 176.46 2eej h ASP 73 N -0.41 0.86 -0.74 3.17 3.58 -1.24 -0.59 116.42 121.05 2eej h ASP 73 Ca -0.01 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2eej h ASP 73 Cb 0.37 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2eej h ASP 73 CO 0.01 0.53 0.31 0.03 -2.88 0.00 0.00 179.24 177.24 2eej h ARG 74 N 0.97 1.09 0.03 0.28 3.08 -1.01 0.30 114.38 119.12 2eej h ARG 74 Ca 0.40 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 2eej h ARG 74 Cb 0.29 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2eej h ARG 74 CO -0.16 0.89 -0.01 0.82 -1.07 0.00 0.00 179.97 180.43 2eej h ILE 75 N 1.06 1.28 -0.34 2.04 2.04 -0.89 -2.03 117.51 120.67 2eej h ILE 75 Ca 0.25 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2eej h ILE 75 Cb 0.19 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2eej h ILE 75 CO -0.02 0.25 0.14 1.56 0.00 0.00 0.00 178.15 180.08 2eej h GLN 76 N -0.48 0.50 -0.76 2.37 1.08 -1.08 -2.90 115.11 113.84 2eej h GLN 76 Ca -0.00 -0.09 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 2eej h GLN 76 Cb 0.44 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 2eej h GLN 76 CO 0.01 0.49 0.46 1.03 -0.95 0.00 0.00 178.83 179.86 2eej h SER 77 N 0.40 0.72 -0.76 1.46 0.87 -0.44 -2.64 113.55 113.16 2eej h SER 77 Ca 0.11 0.02 0.18 0.00 -1.23 0.00 0.00 61.79 60.87 2eej h SER 77 Cb 0.17 -0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 61.85 2eej h SER 77 CO -0.01 0.47 -0.10 -1.54 -0.53 0.00 0.00 176.83 175.12 2eej n SER 78 N -4.68 -0.20 0.00 6.23 3.41 -0.77 -4.88 113.62 112.73 2eej n SER 78 Ca 0.10 1.30 0.00 0.00 -0.26 0.00 0.00 58.87 60.01 2eej n SER 78 Cb 0.15 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.44 0.36 0.13 5.00 0.00 -1.00 -4.73 105.19 103.51 2eej n GLY 79 Ca 0.15 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 2eej n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eej n LYS 80 N 0.00 0.58 -3.50 1.61 2.85 -1.26 -4.92 118.16 113.51 2eej n LYS 80 Ca 0.00 0.36 -0.38 0.00 -1.05 0.00 0.00 58.31 57.24 2eej n LYS 80 Cb 0.00 -1.57 -0.06 0.00 -0.65 0.00 0.00 35.03 32.75 2eej n LYS 80 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2eej s ASN 81 N -7.26 6.70 0.01 -5.58 4.22 -1.26 -1.40 114.94 110.37 2eej s ASN 81 Ca -0.35 0.83 -0.28 0.00 -2.14 0.00 0.00 52.86 50.92 2eej s ASN 81 Cb 0.12 -2.23 0.07 0.00 1.28 0.00 0.00 41.25 40.48 2eej s ASN 81 CO 0.52 0.24 0.65 0.54 -2.04 0.00 0.00 177.10 177.01 2eej s VAL 82 N -0.56 0.00 0.07 3.54 0.11 -1.22 -4.90 120.40 117.44 2eej s VAL 82 Ca 0.22 -0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.35 2eej s VAL 82 Cb -0.16 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 2eej s VAL 82 CO 0.11 -0.01 -0.26 -0.89 -3.33 0.00 0.00 175.10 170.72 2eej s THR 83 N -1.87 2.12 -0.01 5.04 2.01 -1.26 -1.48 115.64 120.19 2eej s THR 83 Ca -0.08 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 60.47 2eej s THR 83 Cb -0.00 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.69 2eej s THR 83 CO 0.04 0.28 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.47 2eej s LEU 84 N -1.44 1.69 -0.37 4.42 1.43 -1.23 -2.95 118.68 120.24 2eej s LEU 84 Ca 0.12 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 2eej s LEU 84 Cb -0.10 -0.16 -0.00 0.00 0.03 0.00 0.00 46.19 45.96 2eej s LEU 84 CO 0.03 -0.02 0.26 -0.22 0.23 0.00 0.00 176.35 176.63 2eej s LEU 85 N 0.34 4.75 0.14 1.79 0.20 -1.14 -3.92 118.68 120.84 2eej s LEU 85 Ca -0.03 -0.62 0.09 0.00 0.69 0.00 0.00 54.13 54.26 2eej s LEU 85 Cb -0.06 -2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 2eej s LEU 85 CO -0.01 -0.32 -0.13 0.68 -0.29 0.00 0.00 176.35 176.29 2eej s VAL 86 N 1.70 3.11 -0.03 1.68 -7.23 -1.23 -1.12 120.40 117.29 2eej s VAL 86 Ca 0.06 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2eej s VAL 86 Cb -0.18 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2eej s VAL 86 CO 0.10 0.01 -0.11 0.00 -0.31 0.00 0.00 175.10 174.79 2eej n GLY 88 N 1.99 -0.79 3.57 0.00 0.00 -1.26 -4.54 105.19 104.16 2eej n GLY 88 Ca -0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2eej n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s LYS 89 N -2.86 3.40 0.43 1.61 3.01 -1.26 -4.97 119.74 119.09 2eej s LYS 89 Ca 0.72 -1.16 -0.26 0.00 -1.01 0.00 0.00 55.97 54.26 2eej s LYS 89 Cb -0.38 -5.33 -0.09 0.00 -1.01 0.00 0.00 37.83 31.01 2eej s LYS 89 CO 0.51 -2.58 1.34 1.17 0.51 0.00 0.00 175.35 176.30 2eej n LYS 90 N 8.73 2.11 -3.78 1.68 4.81 -1.26 -4.98 118.16 125.46 2eej n LYS 90 Ca 0.39 0.75 -0.37 0.00 -0.87 0.00 0.00 58.31 58.21 2eej n LYS 90 Cb 0.49 -2.49 -0.13 0.00 0.02 0.00 0.00 35.03 32.92 2eej n LYS 90 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2eej s SER 91 N -0.47 5.06 0.00 3.14 0.15 -1.26 -4.88 113.70 115.44 2eej s SER 91 Ca 0.60 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2eej s SER 91 Cb -0.49 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2eej s SER 91 CO 0.58 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2eej n GLY 92 N 4.83 -2.00 3.61 9.45 0.00 -1.26 -5.11 105.19 114.71 2eej n GLY 92 Ca -0.14 0.78 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 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 0.36 3.48 -0.08 1.61 0.04 -1.26 -4.99 135.00 134.17 2eej s PRO 93 Ca 0.00 1.38 0.02 0.00 0.04 0.00 0.00 61.00 62.44 2eej s PRO 93 Cb 0.00 -4.13 0.02 0.00 0.04 0.00 0.00 34.50 30.43 2eej s PRO 93 CO 0.00 -1.68 -0.12 0.45 0.04 0.00 0.00 177.00 175.70 2eej s SER 94 N 5.26 1.86 -1.12 6.66 0.15 -1.26 -5.07 113.70 120.19 2eej s SER 94 Ca 0.74 -0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.88 2eej s SER 94 Cb -0.21 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.29 2eej s SER 94 CO 0.33 0.01 1.68 -0.94 1.20 0.00 0.00 173.24 175.52 2eej s SER 95 N 0.85 6.22 0.00 5.45 1.04 -1.26 -5.31 113.70 120.69 2eej s SER 95 Ca -0.11 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 54.62 2eej s SER 95 Cb -0.15 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2eej s SER 95 CO 0.01 -1.78 0.00 0.61 0.98 0.00 0.00 173.24 173.06