#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ee8 s SER 2 N 0.00 -0.08 0.30 1.61 1.04 -1.26 -5.19 113.70 110.12 2ee8 s SER 2 Ca 0.00 -0.57 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 2ee8 s SER 2 Cb 0.00 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.68 2ee8 s SER 2 CO 0.00 -0.99 0.80 -0.44 0.98 0.00 0.00 173.24 173.59 2ee8 s SER 3 N -3.16 -0.13 0.03 7.02 0.01 -1.26 -5.19 113.70 111.03 2ee8 s SER 3 Ca 0.17 -0.80 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 2ee8 s SER 3 Cb -0.02 0.73 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2ee8 s SER 3 CO 0.04 -1.41 0.05 0.61 0.41 0.00 0.00 173.24 172.95 2ee8 n GLY 4 N -0.51 2.73 3.82 3.44 0.00 -1.26 -5.19 105.19 108.22 2ee8 n GLY 4 Ca -0.06 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.21 -0.17 0.27 1.61 1.04 -1.26 -5.19 113.70 108.79 2ee8 s SER 5 Ca 0.02 -0.63 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 2ee8 s SER 5 Cb -0.00 0.65 0.07 0.00 0.10 0.00 0.00 66.02 66.84 2ee8 s SER 5 CO 0.02 -1.23 0.92 -0.44 0.98 0.00 0.00 173.24 173.49 2ee8 s SER 6 N -2.99 -0.01 0.00 7.02 0.01 -1.26 -5.19 113.70 111.28 2ee8 s SER 6 Ca 0.13 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.52 2ee8 s SER 6 Cb -0.04 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.84 2ee8 s SER 6 CO 0.06 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 173.02 2ee8 n GLY 7 N -0.62 -0.34 1.40 3.44 0.00 -1.26 -5.19 105.19 102.62 2ee8 n GLY 7 Ca -0.05 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 2ee8 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ee8 n GLY 8 N -0.40 2.10 3.64 -0.02 0.00 -1.26 -5.18 105.19 104.07 2ee8 n GLY 8 Ca 0.00 -1.27 -0.00 0.00 0.00 0.00 0.00 46.02 44.75 2ee8 n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ee8 s ARG 9 N -2.16 0.23 0.27 1.61 1.70 -1.26 -5.17 118.95 114.17 2ee8 s ARG 9 Ca 0.08 0.41 -0.02 0.00 -0.47 0.00 0.00 55.73 55.73 2ee8 s ARG 9 Cb -0.01 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 2ee8 s ARG 9 CO 0.06 -0.05 0.49 -0.51 -1.08 0.00 0.00 175.30 174.22 2ee8 s LEU 10 N 1.23 4.11 1.12 -1.89 1.02 -1.26 -5.10 118.68 117.92 2ee8 s LEU 10 Ca -0.09 0.54 -0.16 0.00 0.02 0.00 0.00 54.13 54.45 2ee8 s LEU 10 Cb -0.03 -3.35 0.25 0.00 0.02 0.00 0.00 46.19 43.08 2ee8 s LEU 10 CO -0.13 -0.16 1.10 -2.16 0.02 0.00 0.00 176.35 175.02 2ee8 s PRO 11 N -3.64 -0.59 0.21 1.29 0.04 -1.26 -5.09 135.00 125.96 2ee8 s PRO 11 Ca 0.41 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 2ee8 s PRO 11 Cb -0.11 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2ee8 s PRO 11 CO 0.31 -3.34 0.21 -1.54 0.04 0.00 0.00 177.00 172.68 2ee8 s SER 12 N -3.71 0.10 0.42 6.66 1.04 -1.26 -5.16 113.70 111.78 2ee8 s SER 12 Ca 0.69 -1.27 -0.13 0.00 0.48 0.00 0.00 55.95 55.71 2ee8 s SER 12 Cb -0.13 0.42 -0.07 0.00 0.10 0.00 0.00 66.02 66.34 2ee8 s SER 12 CO 0.57 -0.90 0.82 -0.54 0.98 0.00 0.00 173.24 174.17 2ee8 s LYS 13 N -4.12 3.87 -0.19 4.02 -0.14 -1.26 -5.08 119.74 116.84 2ee8 s LYS 13 Ca 0.34 0.64 -0.03 0.00 -1.36 0.00 0.00 55.97 55.57 2ee8 s LYS 13 Cb 0.05 -2.33 0.06 0.00 -1.68 0.00 0.00 37.83 33.93 2ee8 s LYS 13 CO 0.11 -0.06 0.04 0.95 -0.76 0.00 0.00 175.35 175.62 2ee8 s THR 14 N -2.36 0.52 0.03 2.17 -4.23 -1.26 -5.13 115.64 105.38 2ee8 s THR 14 Ca 0.54 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 2ee8 s THR 14 Cb -0.10 -1.03 -0.02 0.00 1.34 0.00 0.00 72.50 72.69 2ee8 s THR 14 CO 0.28 -0.20 -0.06 -0.54 -0.54 0.00 0.00 174.62 173.56 2ee8 s LYS 15 N 1.86 0.43 0.21 3.99 -0.14 -1.26 -5.16 119.74 119.67 2ee8 s LYS 15 Ca -0.01 -0.60 0.06 0.00 -1.36 0.00 0.00 55.97 54.06 2ee8 s LYS 15 Cb -0.17 -0.19 -0.04 0.00 -1.68 0.00 0.00 37.83 35.75 2ee8 s LYS 15 CO -0.08 0.03 0.14 -1.59 -0.76 0.00 0.00 175.35 173.10 2ee8 s LYS 16 N -1.27 2.84 0.08 1.68 0.00 -1.26 -5.12 119.74 116.69 2ee8 s LYS 16 Ca -0.09 -1.00 -0.26 0.00 0.00 0.00 0.00 55.97 54.62 2ee8 s LYS 16 Cb -0.08 -2.56 0.09 0.00 0.00 0.00 0.00 37.83 35.28 2ee8 s LYS 16 CO -0.00 0.44 1.16 -1.83 0.00 0.00 0.00 175.35 175.12 2ee8 s GLU 17 N -3.45 0.83 0.16 1.78 1.03 -1.26 -5.05 118.70 112.74 2ee8 s GLU 17 Ca 0.32 -0.52 -0.07 0.00 0.03 0.00 0.00 54.97 54.73 2ee8 s GLU 17 Cb -0.09 0.24 -0.06 0.00 -0.80 0.00 0.00 34.13 33.42 2ee8 s GLU 17 CO 0.23 -0.39 0.43 -0.06 -1.33 0.00 0.00 175.26 174.15 2ee8 s PHE 18 N -2.25 3.47 -0.05 4.83 0.40 -1.25 -4.99 117.98 118.14 2ee8 s PHE 18 Ca 0.22 0.68 0.02 0.00 -0.60 0.00 0.00 56.93 57.25 2ee8 s PHE 18 Cb -0.01 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.44 2ee8 s PHE 18 CO 0.01 0.39 -0.09 0.42 0.70 0.00 0.00 175.22 176.66 2ee8 s ILE 19 N -1.69 0.83 1.04 0.64 1.01 -1.26 -2.60 121.20 119.17 2ee8 s ILE 19 Ca 0.42 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.57 2ee8 s ILE 19 Cb -0.12 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.59 2ee8 s ILE 19 CO 0.23 0.28 -0.11 0.00 0.00 0.00 0.00 174.94 175.34 2ee8 n LYS 21 N -0.96 2.09 -0.00 0.00 2.85 -1.26 -3.37 118.16 117.51 2ee8 n LYS 21 Ca 0.02 -0.02 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2ee8 n LYS 21 Cb 0.60 -1.25 -0.10 0.00 -0.65 0.00 0.00 35.03 33.63 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 -0.07 0.00 5.58 -1.00 -2.00 -3.39 116.94 116.06 2ee8 h PHE 22 Ca -0.22 -0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.26 2ee8 h PHE 22 Cb 1.42 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.95 2ee8 h PHE 22 CO 0.00 0.51 -2.11 0.00 -1.61 0.00 0.00 178.31 175.10 2ee8 n GLY 24 N 2.23 0.92 3.95 0.00 0.00 -1.22 -5.02 105.19 106.04 2ee8 n GLY 24 Ca -0.30 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.51 2.51 0.00 1.61 3.52 -1.26 -4.71 118.95 117.11 2ee8 s ARG 25 Ca 0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2ee8 s ARG 25 Cb 0.00 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 2ee8 s ARG 25 CO 0.00 -0.87 0.12 -1.01 -0.81 0.00 0.00 175.30 172.74 2ee8 s HIS 26 N -2.95 3.38 -0.04 5.12 3.76 -1.26 -1.75 115.29 121.55 2ee8 s HIS 26 Ca 0.57 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.71 2ee8 s HIS 26 Cb -0.10 -1.76 0.03 0.00 1.11 0.00 0.00 32.58 31.86 2ee8 s HIS 26 CO 0.42 0.58 0.08 -0.06 -0.85 0.00 0.00 174.74 174.90 2ee8 s PHE 27 N -1.27 -0.01 0.28 1.40 0.40 -1.07 -4.99 117.98 112.71 2ee8 s PHE 27 Ca 0.26 0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.94 2ee8 s PHE 27 Cb -0.12 -0.33 0.40 0.00 0.51 0.00 0.00 43.02 43.49 2ee8 s PHE 27 CO 0.17 -0.17 1.67 1.79 0.70 0.00 0.00 175.22 179.38 2ee8 h THR 28 N 6.34 1.33 -3.20 0.64 1.35 -1.97 -3.33 112.91 114.07 2ee8 h THR 28 Ca -0.26 -1.63 -0.60 0.00 -0.55 0.00 0.00 66.41 63.36 2ee8 h THR 28 Cb 1.12 1.76 -0.11 0.00 -1.73 0.00 0.00 68.15 69.20 2ee8 h THR 28 CO 0.28 0.49 -0.43 -0.54 -0.25 0.00 0.00 175.52 175.07 2ee8 s LYS 29 N -4.05 4.12 0.45 4.72 3.01 -1.26 -4.95 119.74 121.79 2ee8 s LYS 29 Ca -0.04 -0.09 0.21 0.00 -1.01 0.00 0.00 55.97 55.04 2ee8 s LYS 29 Cb 0.13 -3.39 1.09 0.00 -1.01 0.00 0.00 37.83 34.65 2ee8 s LYS 29 CO 0.78 0.34 1.95 0.66 0.51 0.00 0.00 175.35 179.59 2ee8 h SER 30 N 6.44 0.00 0.02 2.83 4.64 -1.98 -2.97 113.55 122.53 2ee8 h SER 30 Ca -0.43 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.76 2ee8 h SER 30 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2ee8 h SER 30 CO 0.74 0.23 -0.68 0.10 -0.87 0.00 0.00 176.83 176.34 2ee8 h TYR 31 N 0.00 0.08 -1.10 4.77 -0.00 -1.97 -3.35 116.97 115.41 2ee8 h TYR 31 Ca -0.00 -0.06 0.31 0.00 0.00 0.00 0.00 58.73 58.97 2ee8 h TYR 31 Cb 0.50 -0.00 -0.11 0.00 0.00 0.00 0.00 36.73 37.12 2ee8 h TYR 31 CO 0.00 1.27 0.70 -0.97 -0.00 0.00 0.00 178.16 179.16 2ee8 h ASN 32 N -0.88 0.41 0.29 0.10 -0.73 -1.96 -0.30 115.58 112.50 2ee8 h ASN 32 Ca -0.17 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.10 2ee8 h ASN 32 Cb 1.24 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.85 2ee8 h ASN 32 CO -0.06 0.02 -0.30 0.25 -0.37 0.00 0.00 177.43 176.96 2ee8 h LEU 33 N 0.33 -0.82 -0.97 0.34 5.85 -1.65 -1.57 115.31 116.82 2ee8 h LEU 33 Ca 0.65 0.07 0.17 0.00 0.84 0.00 0.00 57.88 59.62 2ee8 h LEU 33 Cb 1.74 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.95 2ee8 h LEU 33 CO -0.35 -0.43 0.57 0.17 -0.34 0.00 0.00 178.44 178.06 2ee8 h LEU 34 N -0.62 0.73 -0.41 2.25 8.10 -1.20 -0.42 115.31 123.73 2ee8 h LEU 34 Ca -0.01 0.09 -0.01 0.00 0.11 0.00 0.00 57.88 58.07 2ee8 h LEU 34 Cb 0.58 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.74 2ee8 h LEU 34 CO -0.07 0.28 0.23 0.40 -4.11 0.00 0.00 178.44 175.17 2ee8 h ILE 35 N 0.75 1.14 -0.41 0.15 2.04 -1.14 -2.90 117.51 117.14 2ee8 h ILE 35 Ca 0.55 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2ee8 h ILE 35 Cb 0.81 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2ee8 h ILE 35 CO -0.37 0.15 0.23 -0.74 0.00 0.00 0.00 178.15 177.41 2ee8 h HIS 36 N 0.53 0.57 -0.37 1.37 -0.00 -0.16 -2.09 115.15 115.00 2ee8 h HIS 36 Ca 0.14 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.61 2ee8 h HIS 36 Cb 0.03 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2ee8 h HIS 36 CO -0.03 0.43 0.83 0.93 -0.00 0.00 0.00 177.93 180.10 2ee8 h GLU 37 N 0.53 0.00 -0.45 5.26 5.08 -1.01 0.66 114.58 124.65 2ee8 h GLU 37 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2ee8 h GLU 37 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2ee8 h GLU 37 CO -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.00 2ee8 h ARG 38 N 0.00 0.79 0.00 2.33 3.08 -1.41 -2.40 114.38 116.77 2ee8 h ARG 38 Ca 0.18 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ee8 h ARG 38 Cb 1.84 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.81 2ee8 h ARG 38 CO -0.00 0.85 0.28 0.00 -1.07 0.00 0.00 179.97 180.02 2ee8 h THR 39 N 0.64 0.00 0.00 2.04 1.03 0.19 -2.22 112.91 114.59 2ee8 h THR 39 Ca 0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 66.42 2ee8 h THR 39 Cb 0.48 0.54 -0.02 0.00 -1.07 0.00 0.00 68.15 68.09 2ee8 h THR 39 CO 0.02 0.00 -0.91 1.41 -0.01 0.00 0.00 175.52 176.03 2ee8 n HIS 40 N -2.56 0.86 -1.57 0.00 8.25 -0.93 -4.85 115.22 114.41 2ee8 n HIS 40 Ca -0.02 0.37 -0.45 0.00 -0.26 0.00 0.00 57.72 57.36 2ee8 n HIS 40 Cb 0.32 -0.88 -0.04 0.00 1.12 0.00 0.00 29.99 30.50 2ee8 n HIS 40 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ee8 n THR 41 N -4.52 0.36 -3.77 1.59 -2.24 -0.83 -4.93 114.28 99.93 2ee8 n THR 41 Ca -0.19 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 60.87 2ee8 n THR 41 Cb 0.46 -2.27 -0.12 0.00 -2.10 0.00 0.00 70.33 66.30 2ee8 n THR 41 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ee8 s ASP 42 N 7.46 5.25 0.03 3.42 1.01 -1.26 -4.92 116.67 127.66 2ee8 s ASP 42 Ca 1.02 -1.77 -0.08 0.00 0.71 0.00 0.00 52.55 52.43 2ee8 s ASP 42 Cb -0.50 -1.83 -0.30 0.00 1.01 0.00 0.00 42.92 41.29 2ee8 s ASP 42 CO 0.40 -0.48 0.96 1.05 0.21 0.00 0.00 175.17 177.31 2ee8 h GLU 43 N 8.11 0.35 -4.02 8.23 4.11 -1.96 -3.44 114.58 125.95 2ee8 h GLU 43 Ca -0.17 -0.59 -0.53 0.00 0.07 0.00 0.00 59.36 58.15 2ee8 h GLU 43 Cb 1.06 0.22 -0.38 0.00 0.50 0.00 0.00 28.75 30.15 2ee8 h GLU 43 CO 0.67 1.25 -0.79 -0.98 0.07 0.00 0.00 179.01 179.24 2ee8 s ARG 44 N -2.62 1.22 0.01 1.06 1.70 -1.26 -5.03 118.95 114.03 2ee8 s ARG 44 Ca -0.08 -0.36 -0.23 0.00 -0.47 0.00 0.00 55.73 54.59 2ee8 s ARG 44 Cb 0.06 -1.78 -0.17 0.00 -0.57 0.00 0.00 34.95 32.49 2ee8 s ARG 44 CO 0.89 -0.41 1.31 -1.00 -1.08 0.00 0.00 175.30 175.01 2ee8 h PRO 45 N 8.18 0.20 -5.68 3.89 0.13 -1.98 -3.41 132.00 133.33 2ee8 h PRO 45 Ca -0.23 -0.10 -0.35 0.00 -0.87 0.00 0.00 66.00 64.44 2ee8 h PRO 45 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2ee8 h PRO 45 CO 0.37 0.63 1.05 0.71 -0.23 0.00 0.00 178.00 180.54 2ee8 s TYR 46 N -4.28 1.38 -0.04 1.56 2.02 -1.26 -4.90 117.35 111.83 2ee8 s TYR 46 Ca -0.15 1.28 -0.01 0.00 -0.37 0.00 0.00 57.07 57.81 2ee8 s TYR 46 Cb 0.04 -3.77 0.03 0.00 -0.40 0.00 0.00 41.96 37.85 2ee8 s TYR 46 CO 0.72 -2.12 0.04 0.99 -1.57 0.00 0.00 175.55 173.61 2ee8 s THR 47 N 11.52 -0.02 1.29 -0.71 2.01 -1.25 -3.70 115.64 124.79 2ee8 s THR 47 Ca 0.83 0.33 -0.20 0.00 0.31 0.00 0.00 61.69 62.96 2ee8 s THR 47 Cb -0.13 -0.20 0.31 0.00 0.01 0.00 0.00 72.50 72.49 2ee8 s THR 47 CO 0.16 0.17 0.69 0.00 -0.69 0.00 0.00 174.62 174.96 2ee8 n ASP 49 N -4.10 1.41 0.00 0.00 2.03 -1.26 -4.21 116.55 110.43 2ee8 n ASP 49 Ca 0.11 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2ee8 n ASP 49 Cb 0.50 1.58 0.00 0.00 -0.72 0.00 0.00 41.12 42.47 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ee8 n ILE 50 N -1.92 0.00 1.49 5.18 5.41 -1.26 -4.71 119.36 123.55 2ee8 n ILE 50 Ca -0.02 0.15 0.12 0.00 1.00 0.00 0.00 62.75 64.00 2ee8 n ILE 50 Cb 0.37 -1.13 0.71 0.00 -0.71 0.00 0.00 39.64 38.88 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 -1.02 -1.05 -2.54 0.00 8.25 -1.26 -4.89 115.22 112.70 2ee8 n HIS 52 Ca 0.18 0.51 -0.25 0.00 -0.26 0.00 0.00 57.72 57.90 2ee8 n HIS 52 Cb 0.09 -2.32 0.03 0.00 1.12 0.00 0.00 29.99 28.92 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 -6.65 2.85 -0.08 -0.41 1.02 -1.26 -4.59 119.74 110.61 2ee8 s LYS 53 Ca 0.02 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.81 2ee8 s LYS 53 Cb -0.01 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2ee8 s LYS 53 CO 0.84 -0.65 -0.13 0.00 -0.92 0.00 0.00 175.35 174.48 2ee8 s ALA 54 N -2.89 2.67 -0.12 5.17 0.00 -1.26 -2.03 121.76 123.30 2ee8 s ALA 54 Ca 0.53 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 2ee8 s ALA 54 Cb -0.10 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 21.97 2ee8 s ALA 54 CO 0.43 0.43 0.01 -0.06 0.00 0.00 0.00 175.76 176.57 2ee8 s PHE 55 N -0.30 0.87 0.26 0.00 0.40 -1.24 -5.02 117.98 112.95 2ee8 s PHE 55 Ca 0.03 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 55.87 2ee8 s PHE 55 Cb -0.13 -0.92 0.51 0.00 0.51 0.00 0.00 43.02 42.99 2ee8 s PHE 55 CO 0.03 -0.45 1.76 -0.09 0.70 0.00 0.00 175.22 177.17 2ee8 h ARG 56 N 8.28 0.60 -6.05 0.44 9.65 -1.99 -3.40 114.38 121.91 2ee8 h ARG 56 Ca -0.19 -0.04 -0.60 0.00 -1.10 0.00 0.00 59.98 58.05 2ee8 h ARG 56 Cb 1.12 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.52 2ee8 h ARG 56 CO 0.30 0.40 -0.18 1.03 2.80 0.00 0.00 179.97 184.32 2ee8 s ARG 57 N -5.98 3.96 -0.01 0.20 1.81 -1.26 -5.01 118.95 112.66 2ee8 s ARG 57 Ca -0.12 0.46 -0.25 0.00 -1.72 0.00 0.00 55.73 54.10 2ee8 s ARG 57 Cb 0.21 -3.22 -0.18 0.00 -0.45 0.00 0.00 34.95 31.32 2ee8 s ARG 57 CO 0.78 0.68 1.25 0.37 -0.68 0.00 0.00 175.30 177.70 2ee8 h GLN 58 N 4.66 -0.17 -0.97 3.54 -0.00 -2.01 -3.06 115.11 117.10 2ee8 h GLN 58 Ca -0.51 0.01 0.19 0.00 -0.00 0.00 0.00 58.65 58.34 2ee8 h GLN 58 Cb 1.22 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 28.65 2ee8 h GLN 58 CO 0.62 0.21 0.61 0.22 0.00 0.00 0.00 178.83 180.49 2ee8 h ASP 59 N -0.59 0.63 0.22 -0.69 1.82 -1.96 0.44 116.42 116.30 2ee8 h ASP 59 Ca -0.02 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2ee8 h ASP 59 Cb 0.46 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 2ee8 h ASP 59 CO 0.03 0.24 -0.16 0.45 -1.61 0.00 0.00 179.24 178.19 2ee8 h HIS 60 N 0.63 0.00 0.10 0.28 3.86 -1.93 -1.71 115.15 116.37 2ee8 h HIS 60 Ca 0.53 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.44 2ee8 h HIS 60 Cb 1.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 2ee8 h HIS 60 CO -0.00 0.16 -1.52 1.25 0.86 0.00 0.00 177.93 178.68 2ee8 h LEU 61 N 0.00 0.31 0.31 2.43 5.85 -0.12 -2.83 115.31 121.26 2ee8 h LEU 61 Ca -0.00 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2ee8 h LEU 61 Cb 0.32 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ee8 h LEU 61 CO 0.02 1.38 -0.15 -0.09 -0.34 0.00 0.00 178.44 179.26 2ee8 h ARG 62 N 0.05 -0.40 -0.23 1.25 9.65 -0.67 -3.10 114.38 120.93 2ee8 h ARG 62 Ca -0.23 0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.60 2ee8 h ARG 62 Cb 1.99 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 30.65 2ee8 h ARG 62 CO 0.15 -0.12 -0.20 0.38 2.80 0.00 0.00 179.97 182.98 2ee8 h ASP 63 N -0.67 0.39 -0.81 -3.80 3.04 -1.49 -2.66 116.42 110.41 2ee8 h ASP 63 Ca -0.04 -0.11 0.21 0.00 -3.24 0.00 0.00 57.03 53.85 2ee8 h ASP 63 Cb 0.47 -0.11 -0.04 0.00 -1.04 0.00 0.00 39.33 38.61 2ee8 h ASP 63 CO 0.07 0.61 0.57 -0.74 -2.04 0.00 0.00 179.24 177.70 2ee8 h HIS 64 N 0.37 0.20 0.00 4.15 2.76 -1.43 0.36 115.15 121.57 2ee8 h HIS 64 Ca 0.06 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2ee8 h HIS 64 Cb 0.56 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2ee8 h HIS 64 CO 0.01 0.06 0.01 0.54 -1.30 0.00 0.00 177.93 177.25 2ee8 n ARG 65 N -4.38 0.00 -0.12 5.26 5.12 -1.00 -1.77 116.66 119.76 2ee8 n ARG 65 Ca 0.17 0.41 -0.12 0.00 -1.93 0.00 0.00 57.85 56.38 2ee8 n ARG 65 Cb 0.78 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.54 2ee8 n ARG 65 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 2ee8 h TYR 66 N 0.00 0.81 0.00 -1.55 5.03 -0.47 -2.67 116.97 118.12 2ee8 h TYR 66 Ca 0.00 -0.19 -0.00 0.00 2.58 0.00 0.00 58.73 61.12 2ee8 h TYR 66 Cb 0.02 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.11 2ee8 h TYR 66 CO 0.00 0.88 -0.01 -0.84 -1.32 0.00 0.00 178.16 176.88 2ee8 h ILE 67 N 0.50 0.08 -3.14 1.81 3.07 -1.55 -3.32 117.51 114.96 2ee8 h ILE 67 Ca 0.09 -0.11 -0.77 0.00 1.55 0.00 0.00 64.86 65.62 2ee8 h ILE 67 Cb 0.64 1.10 -0.24 0.00 -0.27 0.00 0.00 36.82 38.05 2ee8 h ILE 67 CO 0.04 0.01 0.63 -1.00 -1.05 0.00 0.00 178.15 176.78 2ee8 s HIS 68 N -4.12 3.81 -0.23 0.16 3.76 -1.01 -4.94 115.29 112.73 2ee8 s HIS 68 Ca -0.04 -2.21 -0.03 0.00 -0.15 0.00 0.00 55.06 52.63 2ee8 s HIS 68 Cb 0.13 -4.01 0.10 0.00 1.11 0.00 0.00 32.58 29.91 2ee8 s HIS 68 CO 0.45 -1.14 0.23 -1.12 -0.85 0.00 0.00 174.74 172.31 2ee8 s SER 69 N 2.21 1.64 0.21 1.40 0.01 -1.25 -4.99 113.70 112.93 2ee8 s SER 69 Ca 0.31 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2ee8 s SER 69 Cb -0.08 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2ee8 s SER 69 CO -0.07 -0.35 0.22 0.29 0.41 0.00 0.00 173.24 173.74 2ee8 n LYS 70 N 5.31 0.32 -1.36 12.44 5.02 -1.26 -5.10 118.16 133.53 2ee8 n LYS 70 Ca -0.05 -1.99 -0.53 0.00 -2.02 0.00 0.00 58.31 53.72 2ee8 n LYS 70 Cb 0.48 1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 37.13 2ee8 n LYS 70 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2ee8 n GLU 71 N -0.39 0.00 -1.92 1.97 2.13 -1.26 -4.87 120.64 116.30 2ee8 n GLU 71 Ca 0.03 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.53 2ee8 n GLU 71 Cb 0.38 -1.27 0.02 0.00 0.27 0.00 0.00 31.44 30.84 2ee8 n GLU 71 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ee8 s LYS 72 N 1.01 3.12 -0.02 5.31 1.02 -1.26 -4.99 119.74 123.93 2ee8 s LYS 72 Ca 0.82 1.25 -0.26 0.00 0.02 0.00 0.00 55.97 57.81 2ee8 s LYS 72 Cb -1.16 -2.00 -0.20 0.00 -0.52 0.00 0.00 37.83 33.95 2ee8 s LYS 72 CO 0.57 -0.97 1.27 -1.00 -0.92 0.00 0.00 175.35 174.29 2ee8 h PRO 73 N 0.24 -0.00 -3.07 -1.68 0.13 -2.02 -3.41 132.00 122.19 2ee8 h PRO 73 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 2ee8 h PRO 73 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 2ee8 h PRO 73 CO 0.56 0.48 -0.78 -0.59 -0.23 0.00 0.00 178.00 177.45 2ee8 s PHE 74 N -4.26 1.27 0.05 1.56 -0.71 -1.26 -5.12 117.98 109.52 2ee8 s PHE 74 Ca -0.16 -1.69 0.05 0.00 -1.04 0.00 0.00 56.93 54.10 2ee8 s PHE 74 Cb 0.02 -1.42 -0.02 0.00 -1.21 0.00 0.00 43.02 40.38 2ee8 s PHE 74 CO 0.67 -0.84 -0.15 -1.59 -1.34 0.00 0.00 175.22 171.98 2ee8 s LYS 75 N 1.33 0.92 0.62 1.99 -2.85 -1.26 -4.94 119.74 115.54 2ee8 s LYS 75 Ca 0.13 -0.85 -0.16 0.00 -1.00 0.00 0.00 55.97 54.09 2ee8 s LYS 75 Cb -0.20 -0.95 -0.14 0.00 -2.06 0.00 0.00 37.83 34.49 2ee8 s LYS 75 CO -0.16 0.23 -0.33 0.00 0.10 0.00 0.00 175.35 175.18 2ee8 n GLN 77 N 1.69 0.69 0.00 0.00 -0.06 -1.26 -3.14 117.38 115.30 2ee8 n GLN 77 Ca 0.04 0.19 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 2ee8 n GLN 77 Cb 0.46 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2ee8 n GLU 78 N -3.24 0.00 -0.06 3.69 -0.58 -1.26 -4.46 120.64 114.73 2ee8 n GLU 78 Ca -0.35 0.37 -0.21 0.00 -0.42 0.00 0.00 57.16 56.55 2ee8 n GLU 78 Cb 1.05 -1.35 -0.13 0.00 -0.57 0.00 0.00 31.44 30.44 2ee8 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ee8 n GLY 80 N 1.95 0.68 3.96 0.00 0.00 -1.19 -5.01 105.19 105.58 2ee8 n GLY 80 Ca -0.38 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.91 1.67 -0.76 1.61 -0.14 -1.26 -4.81 119.74 113.13 2ee8 s LYS 81 Ca 0.00 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 2ee8 s LYS 81 Cb 0.00 -2.21 0.35 0.00 -1.68 0.00 0.00 37.83 34.29 2ee8 s LYS 81 CO 0.00 -1.53 1.50 0.41 -0.76 0.00 0.00 175.35 174.97 2ee8 n GLY 82 N -3.00 5.85 3.67 -3.33 0.00 -1.26 -4.24 105.19 102.88 2ee8 n GLY 82 Ca 0.13 -2.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.07 2ee8 n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ee8 s PHE 83 N -3.91 1.91 -0.12 1.61 0.08 -1.26 -4.86 117.98 111.43 2ee8 s PHE 83 Ca 0.46 -0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.47 2ee8 s PHE 83 Cb 0.30 -4.09 0.06 0.00 -0.57 0.00 0.00 43.02 38.72 2ee8 s PHE 83 CO -0.20 -4.63 2.10 0.00 -0.10 0.00 0.00 175.22 172.39 2ee8 s GLN 85 N -0.60 1.40 -0.08 0.00 -0.21 -1.26 -5.10 119.66 113.81 2ee8 s GLN 85 Ca 0.15 -1.62 -0.07 0.00 0.02 0.00 0.00 55.36 53.84 2ee8 s GLN 85 Cb 0.10 0.33 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 2ee8 s GLN 85 CO -0.01 -0.51 -0.16 -1.13 -2.12 0.00 0.00 175.29 171.37 2ee8 n SER 86 N -0.56 1.12 -0.16 5.90 3.41 -1.26 -4.39 113.62 117.68 2ee8 n SER 86 Ca 0.02 0.18 -0.05 0.00 -0.26 0.00 0.00 58.87 58.76 2ee8 n SER 86 Cb 0.64 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 64.29 2ee8 n SER 86 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ee8 h ARG 87 N -0.44 0.92 0.95 4.33 2.43 -2.01 -3.19 114.38 117.37 2ee8 h ARG 87 Ca -0.18 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 2ee8 h ARG 87 Cb 0.93 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2ee8 h ARG 87 CO -0.11 0.87 -0.46 1.15 -1.51 0.00 0.00 179.97 179.91 2ee8 h THR 88 N 0.86 0.00 -1.35 0.20 2.02 -2.00 -2.53 112.91 110.12 2ee8 h THR 88 Ca 0.17 -0.02 0.47 0.00 0.77 0.00 0.00 66.41 67.80 2ee8 h THR 88 Cb 0.42 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.69 2ee8 h THR 88 CO 0.01 0.00 0.86 0.25 0.37 0.00 0.00 175.52 177.01 2ee8 h LEU 89 N -1.30 0.21 -0.10 2.58 5.85 -1.76 0.89 115.31 121.69 2ee8 h LEU 89 Ca -0.13 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2ee8 h LEU 89 Cb 0.98 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2ee8 h LEU 89 CO 0.21 -0.28 -0.06 0.00 -0.34 0.00 0.00 178.44 177.98 2ee8 h ALA 90 N 1.65 0.14 0.00 1.25 0.00 -1.47 -0.92 119.26 119.90 2ee8 h ALA 90 Ca 0.88 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 2ee8 h ALA 90 Cb 2.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.54 2ee8 h ALA 90 CO -0.50 -0.07 -0.20 0.28 0.00 0.00 0.00 179.25 178.76 2ee8 h VAL 91 N -0.17 0.87 0.15 0.00 2.07 0.11 -3.04 116.25 116.25 2ee8 h VAL 91 Ca 0.02 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2ee8 h VAL 91 Cb 0.53 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2ee8 h VAL 91 CO 0.02 0.20 -0.07 -0.74 0.02 0.00 0.00 177.57 176.99 2ee8 h HIS 92 N 0.00 -0.19 -1.67 1.57 6.17 -0.71 -2.42 115.15 117.90 2ee8 h HIS 92 Ca -0.00 -0.00 0.50 0.00 0.71 0.00 0.00 60.37 61.57 2ee8 h HIS 92 Cb 0.43 0.06 -0.09 0.00 2.52 0.00 0.00 27.41 30.33 2ee8 h HIS 92 CO 0.00 -0.12 1.18 0.87 0.71 0.00 0.00 177.93 180.57 2ee8 h LYS 93 N -1.02 0.02 0.15 5.26 1.57 -1.18 0.69 116.57 122.06 2ee8 h LYS 93 Ca -0.02 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 2ee8 h LYS 93 Cb 0.15 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.48 2ee8 h LYS 93 CO 0.03 0.01 -1.06 1.79 -0.57 0.00 0.00 179.45 179.66 2ee8 h THR 94 N 0.02 1.36 -1.04 -0.16 1.35 -1.60 -3.32 112.91 109.52 2ee8 h THR 94 Ca 0.85 -2.53 0.28 0.00 -0.55 0.00 0.00 66.41 64.46 2ee8 h THR 94 Cb 3.20 3.06 -0.11 0.00 -1.73 0.00 0.00 68.15 72.57 2ee8 h THR 94 CO -0.12 0.73 0.64 -0.07 -0.25 0.00 0.00 175.52 176.45 2ee8 h LEU 95 N -0.28 0.53 0.00 3.87 3.38 0.90 -2.69 115.31 121.02 2ee8 h LEU 95 Ca -0.20 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ee8 h LEU 95 Cb 1.75 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2ee8 h LEU 95 CO 0.15 0.05 0.00 1.41 0.09 0.00 0.00 178.44 180.14 2ee8 n HIS 96 N -4.77 0.00 -0.92 1.13 8.25 -0.95 -4.58 115.22 113.38 2ee8 n HIS 96 Ca 0.27 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.41 2ee8 n HIS 96 Cb 0.88 -0.33 0.15 0.00 1.12 0.00 0.00 29.99 31.80 2ee8 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ee8 s MET 97 N -2.33 1.33 0.03 -0.41 0.23 -1.01 -5.05 119.30 112.09 2ee8 s MET 97 Ca 0.00 1.68 0.01 0.00 -1.03 0.00 0.00 55.69 56.35 2ee8 s MET 97 Cb 0.00 -1.75 -0.02 0.00 -1.53 0.00 0.00 34.83 31.53 2ee8 s MET 97 CO 0.00 -2.43 -0.04 1.14 -2.03 0.00 0.00 175.02 171.66 2ee8 s GLN 98 N -4.36 0.38 -0.10 3.16 -2.07 -1.26 -4.99 119.66 110.43 2ee8 s GLN 98 Ca 0.71 -0.67 -0.38 0.00 -1.82 0.00 0.00 55.36 53.19 2ee8 s GLN 98 Cb -0.26 -0.01 -0.15 0.00 -1.09 0.00 0.00 33.01 31.50 2ee8 s GLN 98 CO 0.54 -0.02 1.60 2.41 -1.32 0.00 0.00 175.29 178.50 2ee8 n THR 99 N 1.51 0.20 -1.29 3.63 -1.04 -1.26 -4.82 114.28 111.21 2ee8 n THR 99 Ca -0.23 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 2ee8 n THR 99 Cb 0.55 -1.17 0.01 0.00 -1.82 0.00 0.00 70.33 67.90 2ee8 n THR 99 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2ee8 n SER 100 N 4.34 -3.13 -4.70 8.00 7.64 -1.26 -4.86 113.62 119.65 2ee8 n SER 100 Ca 0.22 0.73 -0.42 0.00 1.01 0.00 0.00 58.87 60.42 2ee8 n SER 100 Cb 0.18 -0.89 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 2ee8 n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ee8 s SER 101 N -1.01 7.33 1.22 6.43 0.01 -1.26 -5.05 113.70 121.38 2ee8 s SER 101 Ca 0.59 1.63 -0.19 0.00 1.31 0.00 0.00 55.95 59.29 2ee8 s SER 101 Cb -0.56 -2.57 0.27 0.00 0.21 0.00 0.00 66.02 63.38 2ee8 s SER 101 CO 0.64 -0.32 0.98 -0.81 0.41 0.00 0.00 173.24 174.14 2ee8 n PRO 102 N 4.22 -2.93 -4.18 12.44 -0.04 -1.26 -5.08 135.00 138.17 2ee8 n PRO 102 Ca 0.07 -1.57 -0.22 0.00 -0.04 0.00 0.00 63.50 61.74 2ee8 n PRO 102 Cb 0.50 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2ee8 n PRO 102 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2ee8 s THR 103 N -2.77 3.76 0.32 0.52 -1.32 -1.26 -5.14 115.64 109.74 2ee8 s THR 103 Ca 0.64 -1.68 0.03 0.00 -1.21 0.00 0.00 61.69 59.47 2ee8 s THR 103 Cb -0.06 -3.08 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 2ee8 s THR 103 CO 0.49 -0.33 0.14 0.00 -2.21 0.00 0.00 174.62 172.70 2ee8 s ALA 104 N -2.27 2.17 0.19 11.08 0.00 -1.26 -5.18 121.76 126.49 2ee8 s ALA 104 Ca 0.33 -1.70 -0.13 0.00 0.00 0.00 0.00 51.96 50.46 2ee8 s ALA 104 Cb -0.06 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.08 2ee8 s ALA 104 CO 0.22 -0.45 0.41 0.00 0.00 0.00 0.00 175.76 175.94 2ee8 s ALA 105 N -3.51 -0.42 0.00 0.00 0.00 -1.26 -5.36 121.76 111.21 2ee8 s ALA 105 Ca 0.34 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2ee8 s ALA 105 Cb 0.05 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2ee8 s ALA 105 CO 0.17 -0.74 0.07 -1.13 0.00 0.00 0.00 175.76 174.13