#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 n SER 2 N 0.00 1.95 -3.65 1.61 2.88 -1.26 -5.10 113.62 110.05 2ee8 n SER 2 Ca 0.00 0.35 0.01 0.00 -1.33 0.00 0.00 58.87 57.89 2ee8 n SER 2 Cb 0.00 -0.82 -0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2ee8 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ee8 s SER 3 N -7.28 -0.06 0.00 -3.46 0.15 -1.26 -5.17 113.70 96.62 2ee8 s SER 3 Ca -0.37 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2ee8 s SER 3 Cb 0.13 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2ee8 s SER 3 CO 0.49 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2ee8 n GLY 4 N -0.58 3.92 3.63 9.45 0.00 -1.26 -5.19 105.19 115.17 2ee8 n GLY 4 Ca -0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 2ee8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ee8 s SER 5 N 1.00 -0.21 -0.30 1.61 1.04 -1.26 -5.16 113.70 110.42 2ee8 s SER 5 Ca 0.00 0.32 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 2ee8 s SER 5 Cb 0.00 0.30 0.18 0.00 0.10 0.00 0.00 66.02 66.60 2ee8 s SER 5 CO 0.00 -0.13 0.92 -0.55 0.98 0.00 0.00 173.24 174.46 2ee8 s SER 6 N -0.50 -0.72 -0.06 7.02 0.15 -1.26 -5.17 113.70 113.16 2ee8 s SER 6 Ca 0.05 0.44 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 2ee8 s SER 6 Cb -0.03 1.60 0.02 0.00 -1.71 0.00 0.00 66.02 65.90 2ee8 s SER 6 CO -0.07 -0.14 0.20 -0.83 1.20 0.00 0.00 173.24 173.60 2ee8 s GLY 7 N 2.93 -0.12 0.00 9.45 0.00 -1.26 -5.10 107.32 113.22 2ee8 s GLY 7 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2ee8 s GLY 7 CO -0.14 0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.91 2ee8 n GLY 8 N 2.61 -1.36 3.59 0.20 0.00 -1.26 -5.16 105.19 103.82 2ee8 n GLY 8 Ca -0.15 0.84 -0.34 0.00 0.00 0.00 0.00 46.02 46.37 2ee8 n GLY 8 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ee8 s ARG 9 N 0.00 3.81 0.49 1.61 6.06 -1.26 -5.09 118.95 124.57 2ee8 s ARG 9 Ca 0.00 -0.40 -0.22 0.00 -2.50 0.00 0.00 55.73 52.61 2ee8 s ARG 9 Cb 0.00 -3.09 -0.07 0.00 0.06 0.00 0.00 34.95 31.85 2ee8 s ARG 9 CO 0.00 0.29 1.14 -0.51 -2.50 0.00 0.00 175.30 173.72 2ee8 s LEU 10 N 0.27 3.92 0.03 -0.88 1.43 -1.26 -4.97 118.68 117.22 2ee8 s LEU 10 Ca 0.01 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 55.02 2ee8 s LEU 10 Cb -0.13 -4.38 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 2ee8 s LEU 10 CO 0.01 -0.98 1.42 -2.16 0.23 0.00 0.00 176.35 174.87 2ee8 s PRO 11 N -2.93 4.28 0.10 1.29 0.04 -1.26 -5.01 135.00 131.52 2ee8 s PRO 11 Ca 0.67 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.58 2ee8 s PRO 11 Cb -0.26 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 30.81 2ee8 s PRO 11 CO 0.30 -0.56 0.37 -1.12 0.04 0.00 0.00 177.00 176.04 2ee8 s SER 12 N 1.76 -0.20 -0.04 6.66 0.01 -1.26 -5.17 113.70 115.47 2ee8 s SER 12 Ca 0.65 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.64 2ee8 s SER 12 Cb -0.33 0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2ee8 s SER 12 CO 0.28 -0.79 -0.07 -0.75 0.41 0.00 0.00 173.24 172.33 2ee8 s LYS 13 N -3.47 0.94 -0.10 12.44 2.20 -1.26 -5.14 119.74 125.34 2ee8 s LYS 13 Ca 0.01 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 2ee8 s LYS 13 Cb 0.02 -0.89 -0.03 0.00 -1.51 0.00 0.00 37.83 35.42 2ee8 s LYS 13 CO -0.09 -0.00 -0.06 0.99 -0.36 0.00 0.00 175.35 175.82 2ee8 s THR 14 N 0.61 3.70 0.17 3.43 2.01 -1.26 -4.99 115.64 119.31 2ee8 s THR 14 Ca -0.09 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2ee8 s THR 14 Cb -0.12 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2ee8 s THR 14 CO 0.01 0.56 0.00 1.17 -0.69 0.00 0.00 174.62 175.67 2ee8 n LYS 15 N 2.78 0.00 -2.58 4.92 3.00 -1.26 -5.01 118.16 120.01 2ee8 n LYS 15 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.02 2ee8 n LYS 15 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 35.03 35.36 2ee8 n LYS 15 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ee8 n LYS 16 N -3.33 -2.52 -4.41 1.64 4.01 -1.26 -4.92 118.16 107.38 2ee8 n LYS 16 Ca 0.00 0.47 -0.21 0.00 -0.51 0.00 0.00 58.31 58.06 2ee8 n LYS 16 Cb 0.00 -5.06 -0.10 0.00 -0.51 0.00 0.00 35.03 29.36 2ee8 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2ee8 s GLU 17 N -5.15 1.49 0.41 1.97 2.02 -1.26 -4.82 118.70 113.36 2ee8 s GLU 17 Ca 0.05 -1.70 0.07 0.00 0.02 0.00 0.00 54.97 53.41 2ee8 s GLU 17 Cb -0.03 -1.31 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 2ee8 s GLU 17 CO 0.07 0.18 0.08 -0.06 0.02 0.00 0.00 175.26 175.54 2ee8 s PHE 18 N -2.85 2.55 -0.02 1.61 0.08 -1.26 -5.03 117.98 113.06 2ee8 s PHE 18 Ca 0.27 -0.63 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2ee8 s PHE 18 Cb -0.00 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2ee8 s PHE 18 CO 0.11 0.35 -0.02 0.42 -0.10 0.00 0.00 175.22 175.97 2ee8 s ILE 19 N -2.66 0.22 1.09 0.64 1.01 -1.26 -2.96 121.20 117.28 2ee8 s ILE 19 Ca 0.37 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.80 2ee8 s ILE 19 Cb 0.07 -0.25 0.08 0.00 0.01 0.00 0.00 42.46 42.38 2ee8 s ILE 19 CO 0.20 0.11 0.01 0.00 0.00 0.00 0.00 174.94 175.25 2ee8 n LYS 21 N -1.84 0.80 0.04 0.00 2.85 -1.26 -3.92 118.16 114.83 2ee8 n LYS 21 Ca 0.01 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.07 2ee8 n LYS 21 Cb 0.61 -0.94 -0.14 0.00 -0.65 0.00 0.00 35.03 33.91 2ee8 n LYS 21 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2ee8 h PHE 22 N 0.00 0.54 0.00 5.58 -1.00 -1.99 -3.41 116.94 116.66 2ee8 h PHE 22 Ca 0.00 -0.39 -0.10 0.00 2.81 0.00 0.00 57.97 60.29 2ee8 h PHE 22 Cb 0.02 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 2ee8 h PHE 22 CO 0.00 1.38 -1.37 0.00 -1.61 0.00 0.00 178.31 176.71 2ee8 n GLY 24 N 2.73 0.23 3.40 0.00 0.00 -1.25 -5.05 105.19 105.25 2ee8 n GLY 24 Ca -0.09 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2ee8 n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ee8 s ARG 25 N -2.76 1.74 0.06 1.61 3.52 -1.26 -4.84 118.95 117.02 2ee8 s ARG 25 Ca 0.00 -1.17 -0.16 0.00 -0.13 0.00 0.00 55.73 54.28 2ee8 s ARG 25 Cb 0.00 -2.02 -0.06 0.00 -1.56 0.00 0.00 34.95 31.31 2ee8 s ARG 25 CO 0.00 0.49 0.49 -1.01 -0.81 0.00 0.00 175.30 174.47 2ee8 s HIS 26 N -0.95 3.72 0.13 5.12 3.76 -1.26 -1.51 115.29 124.29 2ee8 s HIS 26 Ca 0.14 1.09 0.05 0.00 -0.15 0.00 0.00 55.06 56.19 2ee8 s HIS 26 Cb -0.10 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.18 2ee8 s HIS 26 CO 0.05 0.57 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.33 2ee8 s PHE 27 N -1.20 1.33 -0.14 1.40 0.40 -1.16 -5.02 117.98 113.59 2ee8 s PHE 27 Ca 0.29 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 2ee8 s PHE 27 Cb -0.17 -0.69 -0.24 0.00 0.51 0.00 0.00 43.02 42.43 2ee8 s PHE 27 CO 0.17 0.12 0.29 2.41 0.70 0.00 0.00 175.22 178.91 2ee8 n THR 28 N 0.32 1.66 -4.16 0.64 -1.04 -1.26 -4.29 114.28 106.16 2ee8 n THR 28 Ca -0.14 -0.68 -0.35 0.00 -2.04 0.00 0.00 64.05 60.84 2ee8 n THR 28 Cb 0.58 -1.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.57 2ee8 n THR 28 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ee8 s LYS 29 N -2.55 3.15 0.20 -2.82 2.20 -1.26 -4.84 119.74 113.82 2ee8 s LYS 29 Ca -0.20 -0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 2ee8 s LYS 29 Cb 0.07 -2.94 0.15 0.00 -1.51 0.00 0.00 37.83 33.61 2ee8 s LYS 29 CO 0.75 0.72 1.65 0.66 -0.36 0.00 0.00 175.35 178.77 2ee8 h SER 30 N 4.86 0.91 0.01 1.43 4.64 -1.91 -2.83 113.55 120.67 2ee8 h SER 30 Ca -0.52 -0.29 -0.21 0.00 -0.47 0.00 0.00 61.79 60.31 2ee8 h SER 30 Cb 1.20 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2ee8 h SER 30 CO 0.57 1.03 -0.76 0.22 -0.87 0.00 0.00 176.83 177.02 2ee8 h TYR 31 N 0.83 0.88 -0.02 4.77 5.03 -2.01 -3.09 116.97 123.35 2ee8 h TYR 31 Ca 0.13 -0.39 0.01 0.00 2.58 0.00 0.00 58.73 61.06 2ee8 h TYR 31 Cb 0.63 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.77 2ee8 h TYR 31 CO 0.04 1.19 0.02 -0.97 -1.32 0.00 0.00 178.16 177.12 2ee8 h ASN 32 N 0.44 0.00 -0.29 -2.11 -1.24 -1.95 -2.04 115.58 108.39 2ee8 h ASN 32 Ca -0.04 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.90 2ee8 h ASN 32 Cb 1.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.41 2ee8 h ASN 32 CO 0.15 0.00 -0.09 0.25 -1.29 0.00 0.00 177.43 176.45 2ee8 h LEU 33 N 0.00 0.57 -0.96 0.34 5.85 -1.41 -3.07 115.31 116.63 2ee8 h LEU 33 Ca 0.01 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2ee8 h LEU 33 Cb 0.04 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2ee8 h LEU 33 CO -0.00 0.82 0.49 0.17 -0.34 0.00 0.00 178.44 179.58 2ee8 h LEU 34 N 0.32 1.09 -2.27 2.25 8.10 -1.43 -0.83 115.31 122.54 2ee8 h LEU 34 Ca 0.07 -0.09 0.04 0.00 0.11 0.00 0.00 57.88 58.01 2ee8 h LEU 34 Cb 0.58 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 2ee8 h LEU 34 CO 0.03 0.87 0.13 0.40 -4.11 0.00 0.00 178.44 175.76 2ee8 h ILE 35 N 1.23 0.55 0.00 0.15 2.04 -1.40 -0.23 117.51 119.85 2ee8 h ILE 35 Ca 0.31 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 2ee8 h ILE 35 Cb 0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2ee8 h ILE 35 CO -0.05 0.00 -1.59 1.57 0.00 0.00 0.00 178.15 178.08 2ee8 n HIS 36 N -3.91 0.52 0.17 1.37 -0.00 -0.62 -4.11 115.22 108.64 2ee8 n HIS 36 Ca 0.00 0.16 0.02 0.00 0.46 0.00 0.00 57.72 58.36 2ee8 n HIS 36 Cb 0.24 -0.82 0.29 0.00 -0.12 0.00 0.00 29.99 29.58 2ee8 n HIS 36 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2ee8 h GLU 37 N 0.00 0.00 0.00 1.57 5.08 0.31 -2.68 114.58 118.86 2ee8 h GLU 37 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2ee8 h GLU 37 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2ee8 h GLU 37 CO 0.01 0.46 -0.04 0.07 -1.00 0.00 0.00 179.01 178.52 2ee8 h ARG 38 N 0.00 0.00 0.00 2.33 0.11 -1.58 -1.83 114.38 113.40 2ee8 h ARG 38 Ca -0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.02 2ee8 h ARG 38 Cb 0.87 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 2ee8 h ARG 38 CO 0.06 0.04 -0.25 1.79 0.10 0.00 0.00 179.97 181.71 2ee8 h THR 39 N 0.00 0.65 -1.09 0.08 1.35 -1.69 -3.17 112.91 109.04 2ee8 h THR 39 Ca -0.00 -1.14 -0.51 0.00 -0.55 0.00 0.00 66.41 64.20 2ee8 h THR 39 Cb 0.29 1.75 -0.19 0.00 -1.73 0.00 0.00 68.15 68.26 2ee8 h THR 39 CO 0.01 0.25 0.50 1.41 -0.25 0.00 0.00 175.52 177.43 2ee8 n HIS 40 N -3.47 1.83 -4.82 4.73 8.25 -0.69 -4.90 115.22 116.16 2ee8 n HIS 40 Ca -0.00 -2.04 -0.25 0.00 -0.26 0.00 0.00 57.72 55.17 2ee8 n HIS 40 Cb 0.42 -1.30 -0.15 0.00 1.12 0.00 0.00 29.99 30.08 2ee8 n HIS 40 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ee8 s THR 41 N -2.72 1.36 -0.72 1.59 -4.23 -1.20 -5.06 115.64 104.66 2ee8 s THR 41 Ca 0.54 -0.72 -0.26 0.00 -1.18 0.00 0.00 61.69 60.07 2ee8 s THR 41 Cb 0.38 -1.14 -0.12 0.00 1.34 0.00 0.00 72.50 72.95 2ee8 s THR 41 CO -0.20 0.39 2.42 0.47 -0.54 0.00 0.00 174.62 177.15 2ee8 n ASP 42 N 2.75 1.93 -0.13 3.99 9.92 -1.26 -4.83 116.55 128.93 2ee8 n ASP 42 Ca -0.15 -1.26 -0.04 0.00 -0.53 0.00 0.00 54.79 52.81 2ee8 n ASP 42 Cb 0.54 -1.65 -0.03 0.00 -0.64 0.00 0.00 41.12 39.34 2ee8 n ASP 42 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2ee8 h GLU 43 N 14.37 -0.01 -6.78 -1.24 5.08 -1.96 -3.39 114.58 120.66 2ee8 h GLU 43 Ca -0.06 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.78 2ee8 h GLU 43 Cb 1.07 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.37 2ee8 h GLU 43 CO 1.04 -0.01 0.70 -0.98 -1.00 0.00 0.00 179.01 178.76 2ee8 s ARG 44 N -3.81 4.32 -0.02 2.33 3.03 -1.26 -4.96 118.95 118.58 2ee8 s ARG 44 Ca -0.04 2.23 -0.26 0.00 2.03 0.00 0.00 55.73 59.69 2ee8 s ARG 44 Cb 0.03 -3.11 -0.20 0.00 -1.03 0.00 0.00 34.95 30.64 2ee8 s ARG 44 CO 0.20 -0.31 1.25 -1.00 -1.13 0.00 0.00 175.30 174.31 2ee8 h PRO 45 N 4.52 -0.03 -6.16 3.89 0.13 -1.93 -3.43 132.00 128.99 2ee8 h PRO 45 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 2ee8 h PRO 45 Cb 1.22 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.36 2ee8 h PRO 45 CO 0.73 0.44 1.25 0.66 -0.23 0.00 0.00 178.00 180.86 2ee8 n TYR 46 N -4.87 2.11 -3.51 1.56 4.02 -1.26 -4.93 117.16 110.27 2ee8 n TYR 46 Ca -0.08 0.01 -0.08 0.00 -0.01 0.00 0.00 57.90 57.74 2ee8 n TYR 46 Cb 0.25 -2.66 -0.08 0.00 -0.02 0.00 0.00 39.34 36.83 2ee8 n TYR 46 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ee8 s THR 47 N 5.64 -0.66 1.42 -0.72 2.01 -1.26 -4.15 115.64 117.92 2ee8 s THR 47 Ca 0.98 0.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.81 2ee8 s THR 47 Cb -0.65 -0.75 0.36 0.00 0.01 0.00 0.00 72.50 71.48 2ee8 s THR 47 CO 0.48 -0.01 0.94 0.00 -0.69 0.00 0.00 174.62 175.34 2ee8 n ASP 49 N -5.61 0.30 0.00 0.00 -0.08 -1.26 -4.08 116.55 105.83 2ee8 n ASP 49 Ca 0.13 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2ee8 n ASP 49 Cb 0.60 1.46 0.00 0.00 2.34 0.00 0.00 41.12 45.52 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2ee8 n ILE 50 N -2.36 0.00 0.30 5.18 5.41 -1.26 -4.75 119.36 121.88 2ee8 n ILE 50 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.78 2ee8 n ILE 50 Cb 0.55 -0.97 0.24 0.00 -0.71 0.00 0.00 39.64 38.76 2ee8 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ee8 n HIS 52 N -1.62 -0.95 -1.05 0.00 1.44 -1.26 -4.86 115.22 106.93 2ee8 n HIS 52 Ca 0.02 0.45 -0.18 0.00 -2.01 0.00 0.00 57.72 56.01 2ee8 n HIS 52 Cb 0.11 -1.32 0.14 0.00 0.12 0.00 0.00 29.99 29.04 2ee8 n HIS 52 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2ee8 n LYS 53 N -3.01 -1.80 -4.81 -1.40 5.02 -1.26 -4.55 118.16 106.35 2ee8 n LYS 53 Ca 0.08 -1.09 -0.33 0.00 -2.02 0.00 0.00 58.31 54.95 2ee8 n LYS 53 Cb 0.34 -0.92 -0.16 0.00 -0.02 0.00 0.00 35.03 34.27 2ee8 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ee8 s ALA 54 N -3.31 2.32 0.23 7.82 0.00 -1.26 -3.74 121.76 123.82 2ee8 s ALA 54 Ca 0.43 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.47 2ee8 s ALA 54 Cb -0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 2ee8 s ALA 54 CO 0.32 0.09 -0.21 -0.06 0.00 0.00 0.00 175.76 175.90 2ee8 s PHE 55 N 0.63 2.21 -0.22 0.00 0.40 -1.26 -5.05 117.98 114.69 2ee8 s PHE 55 Ca -0.10 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 55.95 2ee8 s PHE 55 Cb -0.16 -1.03 -0.20 0.00 0.51 0.00 0.00 43.02 42.14 2ee8 s PHE 55 CO 0.02 0.57 -0.08 -2.13 0.70 0.00 0.00 175.22 174.31 2ee8 n ARG 56 N -0.17 0.71 -4.09 0.44 0.63 -1.26 -4.56 116.66 108.36 2ee8 n ARG 56 Ca -0.09 0.07 -0.23 0.00 -0.92 0.00 0.00 57.85 56.68 2ee8 n ARG 56 Cb 0.58 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.94 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ee8 s ARG 57 N -2.49 2.97 -0.14 -0.14 1.81 -1.26 -5.06 118.95 114.65 2ee8 s ARG 57 Ca -0.22 -0.97 -0.22 0.00 -1.72 0.00 0.00 55.73 52.60 2ee8 s ARG 57 Cb 0.07 -2.62 -0.20 0.00 -0.45 0.00 0.00 34.95 31.75 2ee8 s ARG 57 CO 0.69 0.43 0.55 1.96 -0.68 0.00 0.00 175.30 178.25 2ee8 h GLN 58 N 1.73 0.00 -0.86 3.54 4.20 -2.00 -3.25 115.11 118.48 2ee8 h GLN 58 Ca -0.49 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.37 2ee8 h GLN 58 Cb 1.23 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.91 2ee8 h GLN 58 CO 0.62 0.77 0.45 0.22 -0.67 0.00 0.00 178.83 180.22 2ee8 h ASP 59 N -1.00 0.57 -0.83 1.46 3.58 -1.98 0.15 116.42 118.37 2ee8 h ASP 59 Ca -0.02 0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.56 2ee8 h ASP 59 Cb 0.80 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.78 2ee8 h ASP 59 CO -0.01 0.25 0.52 0.45 -2.88 0.00 0.00 179.24 177.56 2ee8 h HIS 60 N 0.66 0.96 -0.11 0.28 3.86 -2.00 -0.01 115.15 118.80 2ee8 h HIS 60 Ca 0.46 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.58 2ee8 h HIS 60 Cb 0.62 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2ee8 h HIS 60 CO -0.08 0.51 -0.40 1.25 0.86 0.00 0.00 177.93 180.07 2ee8 h LEU 61 N 0.97 0.53 -0.32 2.43 5.85 -1.11 0.55 115.31 124.21 2ee8 h LEU 61 Ca 0.35 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.49 2ee8 h LEU 61 Cb 0.11 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2ee8 h LEU 61 CO -0.15 1.07 0.08 -0.09 -0.34 0.00 0.00 178.44 179.00 2ee8 h ARG 62 N 0.03 0.20 -0.14 1.25 1.12 -0.43 -2.24 114.38 114.17 2ee8 h ARG 62 Ca -0.02 -0.01 -0.22 0.00 -1.11 0.00 0.00 59.98 58.62 2ee8 h ARG 62 Cb 1.03 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.96 2ee8 h ARG 62 CO 0.08 0.13 -0.77 0.22 -3.11 0.00 0.00 179.97 176.53 2ee8 h ASP 63 N 0.20 0.86 -0.90 -3.80 3.58 -1.06 -3.14 116.42 112.15 2ee8 h ASP 63 Ca 0.15 -0.56 0.22 0.00 0.42 0.00 0.00 57.03 57.26 2ee8 h ASP 63 Cb 0.14 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 2ee8 h ASP 63 CO -0.18 1.35 0.61 -0.74 -2.88 0.00 0.00 179.24 177.40 2ee8 h HIS 64 N 0.49 0.38 0.00 0.28 2.76 -0.51 0.29 115.15 118.85 2ee8 h HIS 64 Ca -0.05 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2ee8 h HIS 64 Cb 1.39 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.23 2ee8 h HIS 64 CO 0.08 0.09 0.22 0.54 -1.30 0.00 0.00 177.93 177.56 2ee8 n ARG 65 N -4.45 0.10 0.00 5.26 5.12 -0.87 -0.44 116.66 121.38 2ee8 n ARG 65 Ca 0.19 0.58 -0.07 0.00 -1.93 0.00 0.00 57.85 56.62 2ee8 n ARG 65 Cb 0.78 -2.05 0.11 0.00 -1.16 0.00 0.00 32.46 30.15 2ee8 n ARG 65 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2ee8 h TYR 66 N 0.00 0.64 -0.29 -1.55 0.05 -0.62 -2.84 116.97 112.35 2ee8 h TYR 66 Ca 0.00 -0.19 0.08 0.00 0.05 0.00 0.00 58.73 58.68 2ee8 h TYR 66 Cb 0.44 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2ee8 h TYR 66 CO 0.00 0.86 0.25 -0.84 -1.05 0.00 0.00 178.16 177.39 2ee8 h ILE 67 N 0.44 0.62 -3.32 -2.88 3.07 -0.94 -3.41 117.51 111.08 2ee8 h ILE 67 Ca 0.04 0.00 -0.56 0.00 1.55 0.00 0.00 64.86 65.89 2ee8 h ILE 67 Cb 0.91 0.81 -0.04 0.00 -0.27 0.00 0.00 36.82 38.23 2ee8 h ILE 67 CO 0.08 0.00 0.03 -1.00 -1.05 0.00 0.00 178.15 176.21 2ee8 s HIS 68 N -4.82 3.83 -0.52 0.16 3.76 -1.07 -4.92 115.29 111.71 2ee8 s HIS 68 Ca -0.05 1.38 -0.35 0.00 -0.15 0.00 0.00 55.06 55.89 2ee8 s HIS 68 Cb 0.17 -2.57 -0.17 0.00 1.11 0.00 0.00 32.58 31.12 2ee8 s HIS 68 CO 0.62 0.56 1.94 0.43 -0.85 0.00 0.00 174.74 177.44 2ee8 n SER 69 N 1.65 0.56 -4.67 1.40 7.64 -1.26 -4.69 113.62 114.24 2ee8 n SER 69 Ca -0.09 0.49 -0.56 0.00 1.01 0.00 0.00 58.87 59.72 2ee8 n SER 69 Cb 0.50 -0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 2ee8 n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ee8 n LYS 70 N 6.60 1.10 -3.86 1.43 4.01 -1.26 -4.89 118.16 121.29 2ee8 n LYS 70 Ca 0.49 0.40 -0.01 0.00 -0.51 0.00 0.00 58.31 58.69 2ee8 n LYS 70 Cb -0.02 -2.07 0.01 0.00 -0.51 0.00 0.00 35.03 32.44 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2ee8 s GLU 71 N 2.54 0.86 -0.48 1.97 4.04 -1.26 -5.12 118.70 121.25 2ee8 s GLU 71 Ca 0.94 -0.54 -0.18 0.00 0.04 0.00 0.00 54.97 55.24 2ee8 s GLU 71 Cb -1.05 0.25 0.05 0.00 0.02 0.00 0.00 34.13 33.40 2ee8 s GLU 71 CO 0.60 -0.40 0.53 0.15 -1.84 0.00 0.00 175.26 174.30 2ee8 s LYS 72 N -2.27 3.09 0.35 -4.83 1.02 -1.26 -4.92 119.74 110.91 2ee8 s LYS 72 Ca 0.22 -0.95 0.14 0.00 0.02 0.00 0.00 55.97 55.39 2ee8 s LYS 72 Cb -0.01 -4.07 0.63 0.00 -0.52 0.00 0.00 37.83 33.85 2ee8 s LYS 72 CO 0.02 -1.09 1.75 -1.00 -0.92 0.00 0.00 175.35 174.11 2ee8 h PRO 73 N 8.88 0.00 -5.27 -1.68 0.13 -1.98 -3.40 132.00 128.67 2ee8 h PRO 73 Ca -0.27 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 2ee8 h PRO 73 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2ee8 h PRO 73 CO 0.91 0.44 0.23 -0.06 -0.23 0.00 0.00 178.00 179.29 2ee8 s PHE 74 N -3.90 1.33 -0.06 1.56 0.08 -1.26 -4.84 117.98 110.89 2ee8 s PHE 74 Ca -0.02 1.86 -0.01 0.00 0.12 0.00 0.00 56.93 58.88 2ee8 s PHE 74 Cb 0.13 -3.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.11 2ee8 s PHE 74 CO 0.73 -1.07 0.00 0.21 -0.10 0.00 0.00 175.22 174.99 2ee8 s LYS 75 N 8.21 0.55 0.81 0.44 2.20 -1.26 -4.32 119.74 126.37 2ee8 s LYS 75 Ca 0.82 0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 56.38 2ee8 s LYS 75 Cb -0.07 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 2ee8 s LYS 75 CO 0.13 -0.26 0.57 0.00 -0.36 0.00 0.00 175.35 175.43 2ee8 n GLN 77 N -1.35 0.65 0.00 0.00 6.02 -1.26 -3.31 117.38 118.14 2ee8 n GLN 77 Ca 0.09 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2ee8 n GLN 77 Cb 0.51 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.21 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2ee8 n GLU 78 N -3.58 0.00 0.12 -1.09 4.71 -1.26 -4.27 120.64 115.27 2ee8 n GLU 78 Ca -0.44 0.27 -0.24 0.00 -0.01 0.00 0.00 57.16 56.74 2ee8 n GLU 78 Cb 0.96 -1.23 -0.16 0.00 -1.01 0.00 0.00 31.44 30.00 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ee8 n GLY 80 N 1.77 -1.11 3.56 0.00 0.00 -1.21 -5.02 105.19 103.17 2ee8 n GLY 80 Ca -0.20 0.60 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ee8 n LYS 81 N -1.12 0.73 -3.07 1.61 2.85 -1.26 -4.89 118.16 113.01 2ee8 n LYS 81 Ca 0.04 -3.19 -0.44 0.00 -1.05 0.00 0.00 58.31 53.66 2ee8 n LYS 81 Cb 0.45 0.31 -0.01 0.00 -0.65 0.00 0.00 35.03 35.13 2ee8 n LYS 81 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2ee8 s GLY 82 N -4.08 2.54 0.39 2.58 0.00 -1.26 -4.39 107.32 103.10 2ee8 s GLY 82 Ca 0.31 -3.36 -0.23 0.00 0.00 0.00 0.00 44.72 41.43 2ee8 s GLY 82 CO 0.19 1.80 0.98 -1.36 0.00 0.00 0.00 173.10 174.71 2ee8 s PHE 83 N 0.98 3.40 -0.21 1.90 0.08 -1.26 -4.99 117.98 117.89 2ee8 s PHE 83 Ca 0.35 1.67 0.04 0.00 0.12 0.00 0.00 56.93 59.11 2ee8 s PHE 83 Cb -0.06 -2.97 -0.15 0.00 -0.57 0.00 0.00 43.02 39.28 2ee8 s PHE 83 CO -0.05 -0.20 -0.15 0.00 -0.10 0.00 0.00 175.22 174.72 2ee8 s GLN 85 N -2.42 2.31 -0.03 0.00 -1.52 -1.26 -5.08 119.66 111.66 2ee8 s GLN 85 Ca -0.26 -1.67 -0.04 0.00 -1.95 0.00 0.00 55.36 51.44 2ee8 s GLN 85 Cb 0.07 -2.60 -0.02 0.00 -0.22 0.00 0.00 33.01 30.24 2ee8 s GLN 85 CO 0.52 -0.83 -0.10 0.43 -0.25 0.00 0.00 175.29 175.07 2ee8 n SER 86 N -2.19 0.93 -0.33 5.90 7.64 -1.26 -4.42 113.62 119.89 2ee8 n SER 86 Ca 0.14 0.14 0.14 0.00 1.01 0.00 0.00 58.87 60.30 2ee8 n SER 86 Cb 0.62 -0.33 0.28 0.00 -1.01 0.00 0.00 64.21 63.77 2ee8 n SER 86 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2ee8 h ARG 87 N -0.27 0.04 -0.37 1.43 3.08 -2.01 0.46 114.38 116.74 2ee8 h ARG 87 Ca -0.10 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2ee8 h ARG 87 Cb 0.72 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2ee8 h ARG 87 CO -0.06 0.03 0.12 0.00 -1.07 0.00 0.00 179.97 178.99 2ee8 h THR 88 N 0.04 1.21 -0.81 2.04 1.03 -2.01 -2.95 112.91 111.47 2ee8 h THR 88 Ca 0.58 -0.68 0.20 0.00 -0.01 0.00 0.00 66.41 66.49 2ee8 h THR 88 Cb 1.19 0.97 -0.13 0.00 -1.07 0.00 0.00 68.15 69.11 2ee8 h THR 88 CO -0.86 0.24 0.20 0.25 -0.01 0.00 0.00 175.52 175.34 2ee8 h LEU 89 N 0.44 -0.01 -0.17 0.00 5.85 -0.30 -0.02 115.31 121.10 2ee8 h LEU 89 Ca 0.12 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.06 2ee8 h LEU 89 Cb 0.25 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 2ee8 h LEU 89 CO -0.00 -0.09 -0.23 0.00 -0.34 0.00 0.00 178.44 177.77 2ee8 h ALA 90 N 1.70 -0.17 0.00 1.25 0.00 -1.26 0.31 119.26 121.09 2ee8 h ALA 90 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2ee8 h ALA 90 Cb 0.89 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2ee8 h ALA 90 CO -0.59 -0.68 0.00 0.28 0.00 0.00 0.00 179.25 178.27 2ee8 h VAL 91 N -0.27 0.00 0.00 0.00 2.07 -1.13 -2.13 116.25 114.78 2ee8 h VAL 91 Ca 0.11 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 2ee8 h VAL 91 Cb 0.44 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2ee8 h VAL 91 CO -0.32 0.00 -1.07 -0.74 0.02 0.00 0.00 177.57 175.45 2ee8 h HIS 92 N 0.00 0.00 0.00 1.57 6.17 0.86 -3.27 115.15 120.48 2ee8 h HIS 92 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2ee8 h HIS 92 Cb 0.33 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.26 2ee8 h HIS 92 CO 0.00 0.72 -0.22 1.63 0.71 0.00 0.00 177.93 180.77 2ee8 n LYS 93 N -3.13 0.13 0.00 5.26 5.02 0.84 -3.26 118.16 123.03 2ee8 n LYS 93 Ca -0.05 0.08 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 2ee8 n LYS 93 Cb 0.86 -1.62 0.31 0.00 -0.02 0.00 0.00 35.03 34.56 2ee8 n LYS 93 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ee8 n THR 94 N -1.84 0.00 -0.06 -0.18 -2.24 -1.04 -4.18 114.28 104.74 2ee8 n THR 94 Ca 0.06 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 2ee8 n THR 94 Cb 0.39 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 2ee8 n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ee8 n LEU 95 N 0.66 2.60 0.00 3.22 -0.00 -1.20 -4.17 117.00 118.11 2ee8 n LEU 95 Ca 0.16 0.14 0.23 0.00 -0.00 0.00 0.00 56.01 56.54 2ee8 n LEU 95 Cb 0.47 -1.01 0.71 0.00 -0.00 0.00 0.00 43.42 43.59 2ee8 n LEU 95 CO 0.17 0.79 1.21 0.45 -0.00 0.00 0.00 177.39 180.00 2ee8 h HIS 96 N -0.17 0.00 -3.78 1.47 3.86 -1.73 -3.41 115.15 111.39 2ee8 h HIS 96 Ca -0.49 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.26 2ee8 h HIS 96 Cb 1.87 0.00 0.17 0.00 1.06 0.00 0.00 27.41 30.51 2ee8 h HIS 96 CO 0.05 0.00 0.16 -1.64 0.86 0.00 0.00 177.93 177.36 2ee8 s MET 97 N -4.68 0.28 -0.27 2.45 -1.94 -1.26 -5.07 119.30 108.82 2ee8 s MET 97 Ca -0.04 0.72 -0.25 0.00 -1.71 0.00 0.00 55.69 54.41 2ee8 s MET 97 Cb 0.17 -1.70 0.08 0.00 2.01 0.00 0.00 34.83 35.38 2ee8 s MET 97 CO 0.59 -2.88 0.77 -1.14 -0.01 0.00 0.00 175.02 172.35 2ee8 s GLN 98 N -4.81 0.79 -0.03 2.03 0.74 -1.26 -5.09 119.66 112.02 2ee8 s GLN 98 Ca 0.66 0.92 -0.00 0.00 0.05 0.00 0.00 55.36 56.98 2ee8 s GLN 98 Cb -0.20 0.38 0.03 0.00 1.10 0.00 0.00 33.01 34.32 2ee8 s GLN 98 CO 0.59 -0.10 0.03 0.95 -0.55 0.00 0.00 175.29 176.21 2ee8 s THR 99 N 0.32 0.04 -0.96 -0.34 -4.23 -1.26 -5.06 115.64 104.16 2ee8 s THR 99 Ca 0.00 0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 2ee8 s THR 99 Cb -0.05 -0.20 -0.20 0.00 1.34 0.00 0.00 72.50 73.39 2ee8 s THR 99 CO -0.00 0.14 2.20 -0.24 -0.54 0.00 0.00 174.62 176.18 2ee8 n SER 100 N 4.52 1.37 -0.11 3.99 2.88 -1.26 -4.79 113.62 120.22 2ee8 n SER 100 Ca -0.20 -2.09 -0.03 0.00 -1.33 0.00 0.00 58.87 55.22 2ee8 n SER 100 Cb 0.50 -1.67 -0.03 0.00 -0.75 0.00 0.00 64.21 62.26 2ee8 n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ee8 n SER 101 N 19.10 -0.28 -4.06 -3.46 2.88 -1.26 -4.49 113.62 122.04 2ee8 n SER 101 Ca 0.42 0.93 -0.30 0.00 -1.33 0.00 0.00 58.87 58.60 2ee8 n SER 101 Cb 0.45 -0.29 0.22 0.00 -0.75 0.00 0.00 64.21 63.85 2ee8 n SER 101 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2ee8 s PRO 102 N -3.87 -0.78 0.15 -1.46 0.04 -1.26 -5.09 135.00 122.72 2ee8 s PRO 102 Ca -0.03 0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.86 2ee8 s PRO 102 Cb 0.03 -1.63 0.07 0.00 0.04 0.00 0.00 34.50 33.00 2ee8 s PRO 102 CO 0.17 -3.45 0.66 -0.08 0.04 0.00 0.00 177.00 174.34 2ee8 s THR 103 N -3.00 0.00 0.23 1.26 -1.32 -1.26 -5.18 115.64 106.37 2ee8 s THR 103 Ca 0.69 -0.12 0.06 0.00 -1.21 0.00 0.00 61.69 61.12 2ee8 s THR 103 Cb -0.12 -1.13 -0.04 0.00 -1.51 0.00 0.00 72.50 69.71 2ee8 s THR 103 CO 0.56 0.00 0.20 0.00 -2.21 0.00 0.00 174.62 173.17 2ee8 s ALA 104 N -3.66 3.62 -0.04 11.08 0.00 -1.26 -5.13 121.76 126.37 2ee8 s ALA 104 Ca 0.03 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 2ee8 s ALA 104 Cb -0.02 -1.35 0.11 0.00 0.00 0.00 0.00 23.12 21.86 2ee8 s ALA 104 CO -0.10 0.30 0.95 0.00 0.00 0.00 0.00 175.76 176.91 2ee8 s ALA 105 N -2.05 -1.87 0.00 0.00 0.00 -1.26 -5.33 121.76 111.26 2ee8 s ALA 105 Ca 0.33 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2ee8 s ALA 105 Cb -0.08 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.35 2ee8 s ALA 105 CO 0.25 -0.68 0.00 0.45 0.00 0.00 0.00 175.76 175.78