#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 h SER 2 N 0.00 0.17 -3.03 1.61 0.87 -2.15 -3.48 113.55 107.54 2ee8 h SER 2 Ca 0.00 -0.68 -0.44 0.00 -1.23 0.00 0.00 61.79 59.44 2ee8 h SER 2 Cb 0.00 -0.05 0.22 0.00 -0.44 0.00 0.00 62.40 62.13 2ee8 h SER 2 CO 0.00 1.63 -0.25 -1.20 -0.53 0.00 0.00 176.83 176.48 2ee8 n SER 3 N -4.07 -1.87 -3.26 6.23 7.64 -1.26 -5.05 113.62 111.97 2ee8 n SER 3 Ca -0.32 -0.14 0.03 0.00 1.01 0.00 0.00 58.87 59.45 2ee8 n SER 3 Cb 0.82 -1.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 2ee8 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ee8 s GLY 4 N -2.27 0.26 -0.22 0.23 0.00 -1.26 -5.18 107.32 98.88 2ee8 s GLY 4 Ca 0.66 3.61 -0.30 0.00 0.00 0.00 0.00 44.72 48.69 2ee8 s GLY 4 CO 0.65 3.29 1.17 -1.35 0.00 0.00 0.00 173.10 176.87 2ee8 s SER 5 N 1.98 -0.21 -0.22 1.64 1.04 -1.26 -5.19 113.70 111.48 2ee8 s SER 5 Ca -0.01 0.22 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 2ee8 s SER 5 Cb -0.02 0.17 0.16 0.00 0.10 0.00 0.00 66.02 66.44 2ee8 s SER 5 CO -0.16 -0.20 1.18 -0.94 0.98 0.00 0.00 173.24 174.11 2ee8 s SER 6 N -1.10 -0.20 0.00 7.02 1.04 -1.26 -5.19 113.70 114.01 2ee8 s SER 6 Ca 0.04 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2ee8 s SER 6 Cb -0.01 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2ee8 s SER 6 CO -0.03 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2ee8 n GLY 7 N 0.60 3.04 2.95 7.32 0.00 -1.26 -5.12 105.19 112.72 2ee8 n GLY 7 Ca -0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 2ee8 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ee8 s GLY 8 N 0.00 -1.34 -0.11 -0.02 0.00 -1.26 -5.15 107.32 99.45 2ee8 s GLY 8 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 2ee8 s GLY 8 CO 0.00 3.76 0.03 0.50 0.00 0.00 0.00 173.10 177.39 2ee8 s ARG 9 N 1.39 3.30 -0.29 2.90 0.52 -1.26 -5.09 118.95 120.42 2ee8 s ARG 9 Ca 0.22 -0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 54.91 2ee8 s ARG 9 Cb -0.01 -2.94 0.17 0.00 0.52 0.00 0.00 34.95 32.70 2ee8 s ARG 9 CO -0.07 0.59 1.09 -1.17 0.02 0.00 0.00 175.30 175.76 2ee8 s LEU 10 N -0.56 -0.35 0.41 2.53 2.96 -1.26 -5.03 118.68 117.37 2ee8 s LEU 10 Ca 0.10 0.54 0.20 0.00 -0.22 0.00 0.00 54.13 54.74 2ee8 s LEU 10 Cb -0.12 1.48 0.86 0.00 0.50 0.00 0.00 46.19 48.91 2ee8 s LEU 10 CO 0.02 -0.08 1.82 1.55 -1.32 0.00 0.00 176.35 178.34 2ee8 h PRO 11 N 6.08 0.00 -6.39 0.98 0.13 -2.09 -3.47 132.00 127.24 2ee8 h PRO 11 Ca -0.25 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.41 2ee8 h PRO 11 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2ee8 h PRO 11 CO 0.18 0.32 -0.89 -1.13 -0.23 0.00 0.00 178.00 176.25 2ee8 n SER 12 N -3.65 -1.22 -4.58 1.44 3.41 -1.26 -4.83 113.62 102.93 2ee8 n SER 12 Ca -0.01 -0.98 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 2ee8 n SER 12 Cb 0.43 -3.25 -0.03 0.00 -0.26 0.00 0.00 64.21 61.10 2ee8 n SER 12 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ee8 s LYS 13 N -6.38 3.09 -0.08 4.33 2.20 -1.26 -4.98 119.74 116.67 2ee8 s LYS 13 Ca 0.08 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.72 2ee8 s LYS 13 Cb -0.03 -4.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.03 2ee8 s LYS 13 CO 0.87 -2.16 -0.14 0.95 -0.36 0.00 0.00 175.35 174.52 2ee8 s THR 14 N 7.50 3.06 -0.26 3.43 -4.23 -1.26 -5.11 115.64 118.78 2ee8 s THR 14 Ca 0.71 -0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 60.42 2ee8 s THR 14 Cb -0.17 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 2ee8 s THR 14 CO 0.28 0.57 0.16 -0.54 -0.54 0.00 0.00 174.62 174.55 2ee8 s LYS 15 N -0.38 3.98 0.04 3.99 1.02 -1.26 -5.08 119.74 122.04 2ee8 s LYS 15 Ca 0.04 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2ee8 s LYS 15 Cb -0.12 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2ee8 s LYS 15 CO 0.02 -0.06 -0.07 0.21 -0.92 0.00 0.00 175.35 174.53 2ee8 s LYS 16 N 1.41 0.49 0.34 1.68 2.47 -1.26 -5.17 119.74 119.69 2ee8 s LYS 16 Ca 0.07 -0.75 0.06 0.00 -1.56 0.00 0.00 55.97 53.79 2ee8 s LYS 16 Cb -0.15 -0.18 -0.07 0.00 -1.46 0.00 0.00 37.83 35.97 2ee8 s LYS 16 CO 0.07 0.02 -0.01 -1.21 0.16 0.00 0.00 175.35 174.39 2ee8 s GLU 17 N -1.66 1.72 0.33 4.03 2.02 -1.26 -4.89 118.70 118.99 2ee8 s GLU 17 Ca -0.10 -1.93 0.06 0.00 0.02 0.00 0.00 54.97 53.01 2ee8 s GLU 17 Cb -0.09 -1.25 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 2ee8 s GLU 17 CO -0.00 -0.05 0.00 -0.06 0.02 0.00 0.00 175.26 175.17 2ee8 s PHE 18 N -2.98 2.11 -0.02 1.61 0.08 -1.26 -5.08 117.98 112.43 2ee8 s PHE 18 Ca 0.34 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2ee8 s PHE 18 Cb 0.07 -1.35 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2ee8 s PHE 18 CO 0.15 0.22 0.00 0.42 -0.10 0.00 0.00 175.22 175.92 2ee8 s ILE 19 N -3.04 0.10 1.04 0.64 1.01 -1.26 -3.50 121.20 116.18 2ee8 s ILE 19 Ca 0.34 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 2ee8 s ILE 19 Cb 0.07 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.33 2ee8 s ILE 19 CO 0.15 0.10 -0.53 0.00 0.00 0.00 0.00 174.94 174.66 2ee8 n LYS 21 N 0.01 2.99 0.09 0.00 2.85 -1.26 -3.74 118.16 119.11 2ee8 n LYS 21 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2ee8 n LYS 21 Cb 0.64 -1.12 -0.08 0.00 -0.65 0.00 0.00 35.03 33.82 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 -0.26 0.00 5.58 0.04 -2.01 -3.39 116.94 116.90 2ee8 h PHE 22 Ca -0.13 -0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.35 2ee8 h PHE 22 Cb 1.29 0.09 -0.05 0.00 2.20 0.00 0.00 35.95 39.47 2ee8 h PHE 22 CO 0.00 0.13 -2.08 0.00 -0.60 0.00 0.00 178.31 175.76 2ee8 n GLY 24 N 2.34 0.51 3.91 0.00 0.00 -1.25 -5.04 105.19 105.67 2ee8 n GLY 24 Ca -0.30 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.97 3.52 0.11 1.61 3.00 -1.26 -4.77 118.95 119.19 2ee8 s ARG 25 Ca 0.00 -0.30 -0.08 0.00 -1.00 0.00 0.00 55.73 54.35 2ee8 s ARG 25 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 34.95 31.94 2ee8 s ARG 25 CO 0.00 0.54 0.41 -1.01 0.00 0.00 0.00 175.30 175.23 2ee8 s HIS 26 N -1.60 3.54 0.10 5.12 3.76 -1.26 -1.76 115.29 123.19 2ee8 s HIS 26 Ca 0.38 0.73 0.01 0.00 -0.15 0.00 0.00 55.06 56.03 2ee8 s HIS 26 Cb -0.12 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 2ee8 s HIS 26 CO 0.27 0.47 -0.05 -0.06 -0.85 0.00 0.00 174.74 174.52 2ee8 s PHE 27 N -1.51 0.86 -0.21 1.40 0.40 -1.23 -5.02 117.98 112.67 2ee8 s PHE 27 Ca 0.37 -0.96 -0.20 0.00 -0.60 0.00 0.00 56.93 55.53 2ee8 s PHE 27 Cb -0.13 -0.51 -0.18 0.00 0.51 0.00 0.00 43.02 42.71 2ee8 s PHE 27 CO 0.20 -0.20 0.15 2.41 0.70 0.00 0.00 175.22 178.48 2ee8 n THR 28 N -0.04 1.53 -4.50 0.64 -1.04 -1.26 -4.52 114.28 105.08 2ee8 n THR 28 Ca -0.12 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.52 2ee8 n THR 28 Cb 0.61 -2.05 -0.12 0.00 -1.82 0.00 0.00 70.33 66.95 2ee8 n THR 28 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ee8 s LYS 29 N -2.37 3.39 0.56 -2.82 -2.85 -1.26 -4.85 119.74 109.55 2ee8 s LYS 29 Ca -0.29 -0.54 0.37 0.00 -1.00 0.00 0.00 55.97 54.51 2ee8 s LYS 29 Cb 0.06 -2.80 1.49 0.00 -2.06 0.00 0.00 37.83 34.53 2ee8 s LYS 29 CO 0.56 0.36 1.70 1.03 0.10 0.00 0.00 175.35 179.10 2ee8 h SER 30 N 6.29 0.00 0.25 0.03 0.87 -1.91 0.15 113.55 119.23 2ee8 h SER 30 Ca -0.35 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 2ee8 h SER 30 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2ee8 h SER 30 CO 0.59 0.00 -0.12 0.22 -0.53 0.00 0.00 176.83 176.99 2ee8 h TYR 31 N 0.00 -0.31 -0.98 2.24 5.03 -2.01 -2.82 116.97 118.12 2ee8 h TYR 31 Ca 0.58 -0.01 0.27 0.00 2.58 0.00 0.00 58.73 62.15 2ee8 h TYR 31 Cb 2.51 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 40.83 2ee8 h TYR 31 CO 0.00 -0.01 0.69 -0.97 -1.32 0.00 0.00 178.16 176.54 2ee8 h ASN 32 N -0.60 0.15 0.13 -2.11 -1.24 -1.12 -0.39 115.58 110.40 2ee8 h ASN 32 Ca -0.03 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2ee8 h ASN 32 Cb 0.43 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2ee8 h ASN 32 CO 0.06 0.04 -0.06 0.25 -1.29 0.00 0.00 177.43 176.43 2ee8 h LEU 33 N 0.14 -0.15 -0.90 0.34 5.85 -1.38 -2.39 115.31 116.83 2ee8 h LEU 33 Ca 0.49 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 59.04 2ee8 h LEU 33 Cb 1.70 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.70 2ee8 h LEU 33 CO -0.09 0.17 0.56 0.17 -0.34 0.00 0.00 178.44 178.91 2ee8 h LEU 34 N -0.48 0.87 -1.42 2.25 8.10 -0.92 -0.04 115.31 123.68 2ee8 h LEU 34 Ca -0.02 0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 2ee8 h LEU 34 Cb 0.38 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 40.42 2ee8 h LEU 34 CO 0.03 0.55 0.13 0.40 -4.11 0.00 0.00 178.44 175.44 2ee8 h ILE 35 N 1.00 1.15 -0.03 0.15 2.04 -1.30 -2.73 117.51 117.79 2ee8 h ILE 35 Ca 0.40 -0.49 -0.20 0.00 1.00 0.00 0.00 64.86 65.57 2ee8 h ILE 35 Cb 0.21 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2ee8 h ILE 35 CO -0.19 0.19 -0.76 -0.74 0.00 0.00 0.00 178.15 176.65 2ee8 h HIS 36 N 0.53 0.82 -0.43 1.37 2.76 -0.65 -3.16 115.15 116.38 2ee8 h HIS 36 Ca 0.13 -0.43 0.12 0.00 -2.20 0.00 0.00 60.37 58.00 2ee8 h HIS 36 Cb 0.13 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2ee8 h HIS 36 CO 0.01 1.25 0.66 0.93 -1.30 0.00 0.00 177.93 179.48 2ee8 h GLU 37 N 0.16 0.00 -0.62 5.26 5.08 -0.74 0.34 114.58 124.06 2ee8 h GLU 37 Ca -0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2ee8 h GLU 37 Cb 1.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 2ee8 h GLU 37 CO 0.15 0.00 0.19 0.00 -1.00 0.00 0.00 179.01 178.35 2ee8 h ARG 38 N 0.00 0.96 0.00 2.33 3.08 -1.53 -1.85 114.38 117.37 2ee8 h ARG 38 Ca 0.20 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ee8 h ARG 38 Cb 1.53 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2ee8 h ARG 38 CO -0.00 0.85 0.07 -2.37 -1.07 0.00 0.00 179.97 177.45 2ee8 n THR 39 N -4.38 1.23 -0.11 2.04 5.66 0.12 -1.75 114.28 117.08 2ee8 n THR 39 Ca 0.04 0.66 -0.24 0.00 -3.05 0.00 0.00 64.05 61.46 2ee8 n THR 39 Cb 0.21 -1.66 -0.11 0.00 -1.55 0.00 0.00 70.33 67.22 2ee8 n THR 39 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2ee8 n HIS 40 N -1.94 0.27 -2.14 1.09 8.25 -0.74 -4.78 115.22 115.24 2ee8 n HIS 40 Ca -0.01 0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 2ee8 n HIS 40 Cb 0.09 -1.03 -0.05 0.00 1.12 0.00 0.00 29.99 30.12 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 -2.50 3.54 -0.96 1.59 -4.23 -0.72 -4.90 115.64 107.46 2ee8 s THR 41 Ca -0.34 -0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 2ee8 s THR 41 Cb 0.11 -4.21 0.22 0.00 1.34 0.00 0.00 72.50 69.96 2ee8 s THR 41 CO 0.58 -1.13 0.98 -1.81 -0.54 0.00 0.00 174.62 172.70 2ee8 s ASP 42 N 7.44 6.95 0.39 3.99 1.11 -1.26 -4.93 116.67 130.35 2ee8 s ASP 42 Ca 0.66 -2.91 0.08 0.00 0.18 0.00 0.00 52.55 50.56 2ee8 s ASP 42 Cb -0.05 -2.25 -0.05 0.00 1.07 0.00 0.00 42.92 41.64 2ee8 s ASP 42 CO -0.02 -0.57 0.18 -1.83 1.18 0.00 0.00 175.17 174.11 2ee8 s GLU 43 N 0.20 2.28 -0.54 8.23 1.03 -1.26 -5.10 118.70 123.54 2ee8 s GLU 43 Ca 0.26 -1.73 -0.02 0.00 0.03 0.00 0.00 54.97 53.52 2ee8 s GLU 43 Cb -0.09 -2.07 0.14 0.00 -0.80 0.00 0.00 34.13 31.32 2ee8 s GLU 43 CO -0.08 -0.04 0.34 1.03 -1.33 0.00 0.00 175.26 175.18 2ee8 s ARG 44 N -3.90 2.30 -0.01 -4.83 3.00 -1.26 -4.95 118.95 109.31 2ee8 s ARG 44 Ca 0.40 -2.33 -0.24 0.00 0.00 0.00 0.00 55.73 53.56 2ee8 s ARG 44 Cb 0.01 -3.62 -0.19 0.00 0.00 0.00 0.00 34.95 31.15 2ee8 s ARG 44 CO 0.23 -1.13 1.29 -1.00 0.00 0.00 0.00 175.30 174.69 2ee8 h PRO 45 N 7.26 0.10 -6.23 3.54 0.13 -1.99 -3.41 132.00 131.40 2ee8 h PRO 45 Ca -0.05 -0.05 -0.54 0.00 -0.87 0.00 0.00 66.00 64.48 2ee8 h PRO 45 Cb 0.97 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 2ee8 h PRO 45 CO 0.70 0.56 1.25 0.71 -0.23 0.00 0.00 178.00 180.99 2ee8 s TYR 46 N -4.26 1.91 0.00 1.56 2.02 -1.26 -4.96 117.35 112.36 2ee8 s TYR 46 Ca -0.15 0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 57.19 2ee8 s TYR 46 Cb 0.03 -4.18 -0.01 0.00 -0.40 0.00 0.00 41.96 37.40 2ee8 s TYR 46 CO 0.70 -2.45 0.03 0.99 -1.57 0.00 0.00 175.55 173.25 2ee8 s THR 47 N 7.31 0.06 1.12 -0.71 2.01 -1.26 -3.24 115.64 120.93 2ee8 s THR 47 Ca 0.69 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 62.06 2ee8 s THR 47 Cb -0.16 -0.21 0.25 0.00 0.01 0.00 0.00 72.50 72.39 2ee8 s THR 47 CO 0.28 -0.26 1.08 0.00 -0.69 0.00 0.00 174.62 175.02 2ee8 n ASP 49 N -4.59 0.11 0.00 0.00 9.92 -1.26 -4.07 116.55 116.66 2ee8 n ASP 49 Ca 0.08 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 2ee8 n ASP 49 Cb 0.58 1.96 0.00 0.00 -0.64 0.00 0.00 41.12 43.01 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ee8 n ILE 50 N -2.23 0.00 0.55 0.53 5.41 -1.26 -4.69 119.36 117.67 2ee8 n ILE 50 Ca -0.04 0.13 0.06 0.00 1.00 0.00 0.00 62.75 63.91 2ee8 n ILE 50 Cb 0.55 -1.06 0.30 0.00 -0.71 0.00 0.00 39.64 38.72 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 -1.32 -1.17 -2.47 0.00 8.25 -1.26 -4.90 115.22 112.35 2ee8 n HIS 52 Ca 0.05 0.56 -0.25 0.00 -0.26 0.00 0.00 57.72 57.82 2ee8 n HIS 52 Cb 0.10 -2.59 0.04 0.00 1.12 0.00 0.00 29.99 28.66 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2ee8 s LYS 53 N -7.07 2.72 -0.06 -0.41 1.02 -1.26 -4.67 119.74 110.01 2ee8 s LYS 53 Ca 0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 55.97 55.75 2ee8 s LYS 53 Cb -0.00 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2ee8 s LYS 53 CO 0.93 -0.77 -0.01 0.00 -0.92 0.00 0.00 175.35 174.58 2ee8 s ALA 54 N -2.96 3.23 0.23 5.17 0.00 -1.26 -2.57 121.76 123.60 2ee8 s ALA 54 Ca 0.55 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2ee8 s ALA 54 Cb -0.10 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 2ee8 s ALA 54 CO 0.43 0.60 0.09 -0.06 0.00 0.00 0.00 175.76 176.82 2ee8 s PHE 55 N -0.93 1.36 -0.26 0.00 0.40 -1.20 -5.06 117.98 112.30 2ee8 s PHE 55 Ca 0.15 -1.21 -0.13 0.00 -0.60 0.00 0.00 56.93 55.14 2ee8 s PHE 55 Cb -0.11 -0.77 -0.15 0.00 0.51 0.00 0.00 43.02 42.50 2ee8 s PHE 55 CO 0.04 -0.40 -0.19 -2.13 0.70 0.00 0.00 175.22 173.24 2ee8 n ARG 56 N -0.37 0.60 -3.43 0.44 3.00 -1.26 -4.74 116.66 110.90 2ee8 n ARG 56 Ca -0.01 0.31 -0.19 0.00 -0.00 0.00 0.00 57.85 57.97 2ee8 n ARG 56 Cb 0.66 -1.56 -0.00 0.00 0.00 0.00 0.00 32.46 31.55 2ee8 n ARG 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2ee8 s ARG 57 N -2.48 3.05 -0.09 -0.14 0.52 -1.26 -5.02 118.95 113.53 2ee8 s ARG 57 Ca -0.36 -1.07 -0.21 0.00 -0.52 0.00 0.00 55.73 53.58 2ee8 s ARG 57 Cb 0.12 -2.78 -0.29 0.00 0.52 0.00 0.00 34.95 32.52 2ee8 s ARG 57 CO 0.54 0.02 0.73 0.37 0.02 0.00 0.00 175.30 176.97 2ee8 h GLN 58 N 0.89 0.23 -0.64 3.54 -0.00 -2.00 -3.27 115.11 113.85 2ee8 h GLN 58 Ca -0.45 -0.39 0.04 0.00 -0.00 0.00 0.00 58.65 57.86 2ee8 h GLN 58 Cb 1.26 0.14 -0.04 0.00 0.00 0.00 0.00 27.48 28.85 2ee8 h GLN 58 CO 0.52 1.19 0.42 -0.44 0.00 0.00 0.00 178.83 180.52 2ee8 h ASP 59 N -0.46 0.62 -0.67 -0.69 5.19 -1.99 -0.74 116.42 117.67 2ee8 h ASP 59 Ca -0.19 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 2ee8 h ASP 59 Cb 1.58 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.93 2ee8 h ASP 59 CO 0.08 0.42 0.22 0.45 -3.12 0.00 0.00 179.24 177.29 2ee8 h HIS 60 N 0.71 1.09 -0.03 4.55 3.86 -1.99 -0.63 115.15 122.71 2ee8 h HIS 60 Ca 0.26 -0.10 -0.19 0.00 -1.16 0.00 0.00 60.37 59.19 2ee8 h HIS 60 Cb 0.15 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2ee8 h HIS 60 CO -0.00 0.86 -0.79 1.25 0.86 0.00 0.00 177.93 180.12 2ee8 h LEU 61 N 1.02 0.35 0.45 2.43 5.85 -1.34 -2.67 115.31 121.40 2ee8 h LEU 61 Ca 0.23 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2ee8 h LEU 61 Cb 0.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2ee8 h LEU 61 CO -0.01 1.00 -0.22 0.03 -0.34 0.00 0.00 178.44 178.91 2ee8 h ARG 62 N 0.18 -0.58 0.00 1.25 2.47 -0.85 -1.95 114.38 114.90 2ee8 h ARG 62 Ca -0.04 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ee8 h ARG 62 Cb 1.38 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2ee8 h ARG 62 CO 0.13 -0.39 0.00 -0.40 0.56 0.00 0.00 179.97 179.87 2ee8 n ASP 63 N -4.63 0.23 0.00 7.04 5.68 -0.27 -1.65 116.55 122.97 2ee8 n ASP 63 Ca -0.07 0.61 -0.21 0.00 -0.50 0.00 0.00 54.79 54.61 2ee8 n ASP 63 Cb 0.24 -0.64 -0.14 0.00 -1.14 0.00 0.00 41.12 39.44 2ee8 n ASP 63 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2ee8 h HIS 64 N 0.00 0.41 -0.45 2.11 2.76 -1.36 -3.32 115.15 115.31 2ee8 h HIS 64 Ca 0.00 -0.30 0.13 0.00 -2.20 0.00 0.00 60.37 58.00 2ee8 h HIS 64 Cb 0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 2ee8 h HIS 64 CO 0.00 1.49 0.94 0.00 -1.30 0.00 0.00 177.93 179.06 2ee8 h ARG 65 N -0.38 0.00 -0.83 5.26 2.47 -0.50 0.46 114.38 120.86 2ee8 h ARG 65 Ca -0.27 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.52 2ee8 h ARG 65 Cb 1.69 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.95 2ee8 h ARG 65 CO 0.05 0.00 0.50 1.88 0.56 0.00 0.00 179.97 182.97 2ee8 h TYR 66 N 0.00 0.93 -0.72 3.04 0.05 -1.68 -1.05 116.97 117.55 2ee8 h TYR 66 Ca 0.21 0.03 0.21 0.00 0.05 0.00 0.00 58.73 59.23 2ee8 h TYR 66 Cb 2.09 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 39.50 2ee8 h TYR 66 CO 0.00 0.46 0.91 -0.84 -1.05 0.00 0.00 178.16 177.64 2ee8 h ILE 67 N 0.91 0.12 -2.91 -2.88 3.07 -0.32 -3.29 117.51 112.20 2ee8 h ILE 67 Ca 0.37 0.00 -0.69 0.00 1.55 0.00 0.00 64.86 66.09 2ee8 h ILE 67 Cb 0.20 0.25 -0.19 0.00 -0.27 0.00 0.00 36.82 36.81 2ee8 h ILE 67 CO -0.18 0.00 0.15 -1.00 -1.05 0.00 0.00 178.15 176.07 2ee8 s HIS 68 N -4.45 2.97 0.75 0.16 3.76 -0.40 -5.05 115.29 113.04 2ee8 s HIS 68 Ca -0.03 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 53.87 2ee8 s HIS 68 Cb 0.13 -4.00 0.05 0.00 1.11 0.00 0.00 32.58 29.87 2ee8 s HIS 68 CO 0.45 -1.31 1.14 -1.54 -0.85 0.00 0.00 174.74 172.64 2ee8 s SER 69 N 3.55 4.31 -0.29 1.40 1.04 -1.24 -5.05 113.70 117.42 2ee8 s SER 69 Ca 0.13 2.10 -0.23 0.00 0.48 0.00 0.00 55.95 58.42 2ee8 s SER 69 Cb -0.23 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.48 2ee8 s SER 69 CO 0.07 -2.17 1.14 -0.75 0.98 0.00 0.00 173.24 172.50 2ee8 s LYS 70 N -4.33 0.35 -0.72 4.02 2.47 -1.26 -4.99 119.74 115.29 2ee8 s LYS 70 Ca 0.68 0.45 -0.04 0.00 -1.56 0.00 0.00 55.97 55.50 2ee8 s LYS 70 Cb -0.23 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.30 2ee8 s LYS 70 CO 0.49 -0.05 0.62 -1.91 0.16 0.00 0.00 175.35 174.66 2ee8 n GLU 71 N 2.35 -4.15 -2.21 4.03 2.13 -1.26 -4.99 120.64 116.54 2ee8 n GLU 71 Ca -0.13 0.45 -0.36 0.00 0.66 0.00 0.00 57.16 57.78 2ee8 n GLU 71 Cb 0.56 -4.34 0.00 0.00 0.27 0.00 0.00 31.44 27.94 2ee8 n GLU 71 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2ee8 s LYS 72 N -5.46 3.50 0.09 5.31 -2.85 -1.26 -4.91 119.74 114.16 2ee8 s LYS 72 Ca 0.24 1.74 0.17 0.00 -1.00 0.00 0.00 55.97 57.12 2ee8 s LYS 72 Cb -0.10 -2.20 0.73 0.00 -2.06 0.00 0.00 37.83 34.19 2ee8 s LYS 72 CO 0.40 -0.75 1.54 -0.35 0.10 0.00 0.00 175.35 176.28 2ee8 n PRO 73 N -0.92 0.06 -3.02 1.78 -0.04 -1.26 -4.90 135.00 126.70 2ee8 n PRO 73 Ca 0.10 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2ee8 n PRO 73 Cb 0.49 -1.62 0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2ee8 n PRO 73 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ee8 n PHE 74 N -1.74 -1.80 -3.90 0.54 3.72 -1.26 -5.01 117.46 108.01 2ee8 n PHE 74 Ca 0.03 0.71 -0.35 0.00 -0.05 0.00 0.00 57.45 57.79 2ee8 n PHE 74 Cb 0.19 -4.17 -0.14 0.00 -0.94 0.00 0.00 39.48 34.42 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2ee8 s LYS 75 N -4.69 2.93 0.82 -1.08 2.20 -1.26 -4.89 119.74 113.76 2ee8 s LYS 75 Ca 0.14 -0.93 -0.17 0.00 -0.36 0.00 0.00 55.97 54.65 2ee8 s LYS 75 Cb -0.02 -3.10 -0.11 0.00 -1.51 0.00 0.00 37.83 33.09 2ee8 s LYS 75 CO 0.57 -0.41 -0.24 0.00 -0.36 0.00 0.00 175.35 174.92 2ee8 n GLN 77 N 1.15 0.55 0.39 0.00 7.27 -1.26 -3.07 117.38 122.41 2ee8 n GLN 77 Ca 0.04 0.15 -0.19 0.00 0.07 0.00 0.00 57.00 57.07 2ee8 n GLN 77 Cb 0.52 -1.43 -0.10 0.00 2.41 0.00 0.00 30.24 31.64 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2ee8 h GLU 78 N -0.22 -1.10 0.00 3.69 4.39 -2.03 -3.37 114.58 115.94 2ee8 h GLU 78 Ca -0.53 0.08 -0.36 0.00 0.34 0.00 0.00 59.36 58.88 2ee8 h GLU 78 Cb 1.72 0.25 -0.06 0.00 -0.10 0.00 0.00 28.75 30.56 2ee8 h GLU 78 CO -0.15 -0.74 -2.36 0.00 -1.16 0.00 0.00 179.01 174.61 2ee8 n GLY 80 N 2.32 -1.25 3.99 0.00 0.00 -1.18 -5.02 105.19 104.05 2ee8 n GLY 80 Ca -0.42 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2ee8 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ee8 s LYS 81 N -2.97 1.91 -0.27 1.61 1.02 -1.26 -4.91 119.74 114.87 2ee8 s LYS 81 Ca 0.05 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 2ee8 s LYS 81 Cb -0.01 -2.37 0.17 0.00 -0.52 0.00 0.00 37.83 35.10 2ee8 s LYS 81 CO 0.76 -1.26 2.06 0.41 -0.92 0.00 0.00 175.35 176.40 2ee8 n GLY 82 N -2.71 3.86 3.40 -3.33 0.00 -1.26 -4.70 105.19 100.45 2ee8 n GLY 82 Ca 0.13 -0.96 -0.60 0.00 0.00 0.00 0.00 46.02 44.59 2ee8 n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ee8 n PHE 83 N 0.56 1.39 0.04 1.61 3.72 -1.26 -4.82 117.46 118.70 2ee8 n PHE 83 Ca 0.26 0.76 -0.20 0.00 -0.05 0.00 0.00 57.45 58.23 2ee8 n PHE 83 Cb 0.57 -2.32 -0.13 0.00 -0.94 0.00 0.00 39.48 36.66 2ee8 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ee8 s GLN 85 N -2.82 3.11 -0.08 0.00 -0.21 -1.26 -5.05 119.66 113.34 2ee8 s GLN 85 Ca -0.13 -0.98 -0.22 0.00 0.02 0.00 0.00 55.36 54.06 2ee8 s GLN 85 Cb 0.03 -2.71 -0.29 0.00 1.00 0.00 0.00 33.01 31.04 2ee8 s GLN 85 CO 0.85 0.30 0.76 0.77 -2.12 0.00 0.00 175.29 175.85 2ee8 h SER 86 N 1.23 0.35 -0.79 5.90 0.02 -1.97 -3.34 113.55 114.95 2ee8 h SER 86 Ca -0.49 -0.92 0.11 0.00 -0.84 0.00 0.00 61.79 59.66 2ee8 h SER 86 Cb 1.24 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 2ee8 h SER 86 CO 0.59 1.39 -0.42 0.03 -1.14 0.00 0.00 176.83 177.27 2ee8 h ARG 87 N -0.49 -0.10 -0.26 3.45 2.47 -2.00 -0.86 114.38 116.59 2ee8 h ARG 87 Ca -0.17 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.61 2ee8 h ARG 87 Cb 1.55 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.82 2ee8 h ARG 87 CO 0.09 -0.07 -0.50 1.15 0.56 0.00 0.00 179.97 181.20 2ee8 h THR 88 N -0.11 0.05 -0.91 2.04 2.02 -2.01 -0.31 112.91 113.69 2ee8 h THR 88 Ca 0.24 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.68 2ee8 h THR 88 Cb 0.55 0.05 -0.15 0.00 -1.74 0.00 0.00 68.15 66.87 2ee8 h THR 88 CO -0.83 0.00 0.30 0.25 0.37 0.00 0.00 175.52 175.61 2ee8 h LEU 89 N -0.47 0.08 0.09 2.58 5.85 -1.30 0.26 115.31 122.41 2ee8 h LEU 89 Ca 0.08 0.20 0.02 0.00 0.84 0.00 0.00 57.88 59.02 2ee8 h LEU 89 Cb 0.63 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2ee8 h LEU 89 CO -0.50 -0.17 -0.45 0.00 -0.34 0.00 0.00 178.44 176.99 2ee8 h ALA 90 N 1.81 -0.79 0.12 1.25 0.00 -0.36 -1.59 119.26 119.70 2ee8 h ALA 90 Ca 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2ee8 h ALA 90 Cb 1.25 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2ee8 h ALA 90 CO -0.66 -1.02 -0.06 0.28 0.00 0.00 0.00 179.25 177.80 2ee8 h VAL 91 N -0.66 1.02 -1.00 0.00 2.07 -0.84 -3.12 116.25 113.72 2ee8 h VAL 91 Ca 0.02 -0.58 0.25 0.00 0.82 0.00 0.00 66.70 67.21 2ee8 h VAL 91 Cb 0.70 1.38 -0.19 0.00 -1.52 0.00 0.00 31.29 31.66 2ee8 h VAL 91 CO -0.27 0.14 -0.07 -0.74 0.02 0.00 0.00 177.57 176.65 2ee8 h HIS 92 N -0.43 -0.22 -0.88 1.57 6.17 -0.41 0.46 115.15 121.41 2ee8 h HIS 92 Ca -0.02 0.08 0.31 0.00 0.71 0.00 0.00 60.37 61.45 2ee8 h HIS 92 Cb 0.35 0.26 -0.16 0.00 2.52 0.00 0.00 27.41 30.38 2ee8 h HIS 92 CO 0.01 -0.44 0.25 1.63 0.71 0.00 0.00 177.93 180.10 2ee8 n LYS 93 N -5.54 -0.06 -0.28 5.26 5.02 -0.61 0.11 118.16 122.05 2ee8 n LYS 93 Ca 0.21 1.27 0.09 0.00 -2.02 0.00 0.00 58.31 57.86 2ee8 n LYS 93 Cb 0.68 -2.14 0.23 0.00 -0.02 0.00 0.00 35.03 33.78 2ee8 n LYS 93 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2ee8 h THR 94 N 0.00 0.33 -0.94 -0.18 1.35 -0.23 0.63 112.91 113.86 2ee8 h THR 94 Ca 0.64 -0.06 0.25 0.00 -0.55 0.00 0.00 66.41 66.69 2ee8 h THR 94 Cb 1.55 0.15 -0.06 0.00 -1.73 0.00 0.00 68.15 68.06 2ee8 h THR 94 CO -0.75 0.03 0.65 -0.07 -0.25 0.00 0.00 175.52 175.13 2ee8 h LEU 95 N 0.17 0.20 -5.60 3.87 3.38 0.59 -1.64 115.31 116.28 2ee8 h LEU 95 Ca 0.49 0.03 -0.75 0.00 0.09 0.00 0.00 57.88 57.74 2ee8 h LEU 95 Cb 0.94 -0.01 -0.23 0.00 0.09 0.00 0.00 40.66 41.44 2ee8 h LEU 95 CO -0.66 0.07 1.21 1.41 0.09 0.00 0.00 178.44 180.56 2ee8 n HIS 96 N -4.40 2.66 -3.83 1.13 8.25 0.22 -4.92 115.22 114.33 2ee8 n HIS 96 Ca 0.20 -2.47 -0.12 0.00 -0.26 0.00 0.00 57.72 55.08 2ee8 n HIS 96 Cb 0.89 -1.33 -0.11 0.00 1.12 0.00 0.00 29.99 30.56 2ee8 n HIS 96 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ee8 s MET 97 N -3.41 0.40 0.36 -0.41 -1.94 -0.62 -5.03 119.30 108.66 2ee8 s MET 97 Ca 0.48 -0.07 -0.26 0.00 -1.71 0.00 0.00 55.69 54.12 2ee8 s MET 97 Cb 0.28 0.18 -0.09 0.00 2.01 0.00 0.00 34.83 37.21 2ee8 s MET 97 CO -0.21 -0.09 1.06 -1.14 -0.01 0.00 0.00 175.02 174.63 2ee8 s GLN 98 N -0.73 4.32 0.65 2.03 0.74 -1.26 -5.05 119.66 120.36 2ee8 s GLN 98 Ca -0.08 1.59 -0.07 0.00 0.05 0.00 0.00 55.36 56.85 2ee8 s GLN 98 Cb -0.05 -2.75 0.02 0.00 1.10 0.00 0.00 33.01 31.34 2ee8 s GLN 98 CO 0.01 -0.02 0.97 -0.08 -0.55 0.00 0.00 175.29 175.63 2ee8 s THR 99 N -1.50 3.23 -1.06 -0.34 -1.32 -1.26 -4.04 115.64 109.35 2ee8 s THR 99 Ca 0.53 0.02 -0.09 0.00 -1.21 0.00 0.00 61.69 60.95 2ee8 s THR 99 Cb -0.25 -3.33 0.08 0.00 -1.51 0.00 0.00 72.50 67.49 2ee8 s THR 99 CO 0.32 -0.37 0.34 -1.54 -2.21 0.00 0.00 174.62 171.16 2ee8 n SER 100 N -2.77 -2.76 -4.30 8.08 3.41 -1.26 -4.76 113.62 109.27 2ee8 n SER 100 Ca 0.06 -0.27 -0.51 0.00 -0.26 0.00 0.00 58.87 57.89 2ee8 n SER 100 Cb 0.58 -2.35 -0.05 0.00 -0.26 0.00 0.00 64.21 62.14 2ee8 n SER 100 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ee8 n SER 101 N -2.08 -0.72 -4.77 4.04 3.41 -1.26 -4.86 113.62 107.38 2ee8 n SER 101 Ca -0.00 1.10 -0.39 0.00 -0.26 0.00 0.00 58.87 59.33 2ee8 n SER 101 Cb 0.52 -0.91 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 2ee8 n SER 101 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2ee8 s PRO 102 N -0.58 4.13 0.23 4.33 0.04 -1.26 -5.05 135.00 136.84 2ee8 s PRO 102 Ca 0.72 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.72 2ee8 s PRO 102 Cb -1.03 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 2ee8 s PRO 102 CO 0.55 -0.28 0.12 -2.37 0.04 0.00 0.00 177.00 175.06 2ee8 n THR 103 N 0.26 0.00 -3.51 1.26 5.66 -1.26 -5.18 114.28 111.51 2ee8 n THR 103 Ca 0.03 -1.46 -0.11 0.00 -3.05 0.00 0.00 64.05 59.46 2ee8 n THR 103 Cb 0.45 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.81 2ee8 n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ee8 s ALA 104 N -2.74 -1.80 0.18 1.79 0.00 -1.26 -5.19 121.76 112.74 2ee8 s ALA 104 Ca 0.17 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 2ee8 s ALA 104 Cb 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2ee8 s ALA 104 CO 0.12 -0.56 0.11 0.00 0.00 0.00 0.00 175.76 175.43 2ee8 s ALA 105 N -2.45 1.06 0.00 0.00 0.00 -1.26 -5.36 121.76 113.75 2ee8 s ALA 105 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2ee8 s ALA 105 Cb -0.01 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.33 2ee8 s ALA 105 CO -0.04 -0.56 0.00 -1.13 0.00 0.00 0.00 175.76 174.03