#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 -0.23 -0.17 1.61 1.04 -1.26 -5.18 113.70 109.52 2ee8 s SER 2 Ca 0.00 -0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 2ee8 s SER 2 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2ee8 s SER 2 CO 0.00 -0.52 0.44 -0.55 0.98 0.00 0.00 173.24 173.59 2ee8 s SER 3 N -2.55 -0.48 0.00 7.02 0.15 -1.26 -5.17 113.70 111.42 2ee8 s SER 3 Ca 0.09 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2ee8 s SER 3 Cb -0.00 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 2ee8 s SER 3 CO -0.05 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2ee8 n GLY 4 N 3.08 0.94 3.57 9.45 0.00 -1.26 -5.19 105.19 115.78 2ee8 n GLY 4 Ca -0.15 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2ee8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ee8 s SER 5 N 0.00 -0.21 0.13 1.61 0.15 -1.26 -5.19 113.70 108.93 2ee8 s SER 5 Ca 0.00 0.00 -0.25 0.00 0.70 0.00 0.00 55.95 56.41 2ee8 s SER 5 Cb 0.00 0.22 0.08 0.00 -1.71 0.00 0.00 66.02 64.61 2ee8 s SER 5 CO 0.00 -0.36 1.07 -0.94 1.20 0.00 0.00 173.24 174.22 2ee8 s SER 6 N -2.26 -0.06 0.16 5.45 1.04 -1.26 -5.19 113.70 111.59 2ee8 s SER 6 Ca 0.08 -0.48 -0.25 0.00 0.48 0.00 0.00 55.95 55.78 2ee8 s SER 6 Cb -0.01 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.59 2ee8 s SER 6 CO -0.06 -0.81 0.92 -0.83 0.98 0.00 0.00 173.24 173.45 2ee8 s GLY 7 N -3.25 -0.23 0.00 7.32 0.00 -1.26 -5.16 107.32 104.75 2ee8 s GLY 7 Ca 0.19 0.11 0.00 0.00 0.00 0.00 0.00 44.72 45.01 2ee8 s GLY 7 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.74 2ee8 n GLY 8 N -0.46 1.86 3.84 0.20 0.00 -1.26 -5.19 105.19 104.17 2ee8 n GLY 8 Ca -0.06 0.35 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.12 1.70 -0.05 1.61 3.03 -1.26 -5.17 118.95 118.69 2ee8 s ARG 9 Ca 0.00 -0.95 0.02 0.00 2.03 0.00 0.00 55.73 56.84 2ee8 s ARG 9 Cb 0.00 0.57 -0.03 0.00 -1.03 0.00 0.00 34.95 34.46 2ee8 s ARG 9 CO 0.00 -0.78 -0.10 -0.51 -1.13 0.00 0.00 175.30 172.78 2ee8 s LEU 10 N -2.93 2.97 0.17 -1.89 2.01 -1.26 -5.10 118.68 112.65 2ee8 s LEU 10 Ca 0.11 -0.11 -0.30 0.00 0.01 0.00 0.00 54.13 53.84 2ee8 s LEU 10 Cb -0.05 -1.64 -0.08 0.00 0.01 0.00 0.00 46.19 44.43 2ee8 s LEU 10 CO 0.06 0.35 1.32 -2.16 1.01 0.00 0.00 176.35 176.93 2ee8 s PRO 11 N -0.84 4.38 -0.03 1.29 0.04 -1.26 -4.98 135.00 133.59 2ee8 s PRO 11 Ca 0.12 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.12 2ee8 s PRO 11 Cb -0.11 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2ee8 s PRO 11 CO 0.02 -0.29 0.45 0.77 0.04 0.00 0.00 177.00 177.98 2ee8 h SER 12 N 5.77 -0.27 -5.95 6.66 0.02 -2.09 -3.48 113.55 114.21 2ee8 h SER 12 Ca -0.44 0.01 -0.40 0.00 -0.84 0.00 0.00 61.79 60.12 2ee8 h SER 12 Cb 1.21 0.07 0.09 0.00 0.14 0.00 0.00 62.40 63.91 2ee8 h SER 12 CO 0.79 0.05 -0.75 1.17 -1.14 0.00 0.00 176.83 176.96 2ee8 n LYS 13 N -4.20 -6.47 -3.70 3.45 3.00 -1.26 -4.97 118.16 104.01 2ee8 n LYS 13 Ca -0.04 0.74 -0.29 0.00 -0.00 0.00 0.00 58.31 58.72 2ee8 n LYS 13 Cb 0.12 -5.65 -0.12 0.00 0.00 0.00 0.00 35.03 29.38 2ee8 n LYS 13 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2ee8 s THR 14 N -3.40 1.59 -0.24 3.15 -4.23 -1.26 -5.06 115.64 106.20 2ee8 s THR 14 Ca 0.34 -3.02 -0.02 0.00 -1.18 0.00 0.00 61.69 57.81 2ee8 s THR 14 Cb -0.16 -2.09 0.07 0.00 1.34 0.00 0.00 72.50 71.67 2ee8 s THR 14 CO 0.77 -0.99 0.06 -0.54 -0.54 0.00 0.00 174.62 173.38 2ee8 s LYS 15 N -0.17 0.66 -0.03 3.99 3.01 -1.26 -5.11 119.74 120.83 2ee8 s LYS 15 Ca 0.22 -0.63 -0.01 0.00 -1.01 0.00 0.00 55.97 54.54 2ee8 s LYS 15 Cb -0.14 -2.01 0.03 0.00 -1.01 0.00 0.00 37.83 34.70 2ee8 s LYS 15 CO -0.08 -0.77 0.06 0.15 0.51 0.00 0.00 175.35 175.22 2ee8 s LYS 16 N 1.80 -0.01 0.29 1.68 -0.14 -1.26 -5.16 119.74 116.94 2ee8 s LYS 16 Ca 0.03 0.23 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 2ee8 s LYS 16 Cb -0.17 -0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 35.71 2ee8 s LYS 16 CO -0.15 -0.16 0.13 -1.83 -0.76 0.00 0.00 175.35 172.57 2ee8 s GLU 17 N 1.07 1.53 0.31 1.68 -1.05 -1.26 -4.97 118.70 116.02 2ee8 s GLU 17 Ca -0.09 -1.86 0.06 0.00 -0.15 0.00 0.00 54.97 52.94 2ee8 s GLU 17 Cb -0.12 -0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.31 2ee8 s GLU 17 CO -0.04 -0.38 -0.02 -0.06 0.95 0.00 0.00 175.26 175.71 2ee8 s PHE 18 N -3.66 2.06 -0.00 4.83 0.40 -1.26 -5.09 117.98 115.26 2ee8 s PHE 18 Ca 0.36 -0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2ee8 s PHE 18 Cb 0.06 -1.27 -0.00 0.00 0.51 0.00 0.00 43.02 42.32 2ee8 s PHE 18 CO 0.16 0.25 0.01 0.42 0.70 0.00 0.00 175.22 176.76 2ee8 s ILE 19 N -3.02 0.02 1.07 0.64 1.01 -1.26 -3.36 121.20 116.31 2ee8 s ILE 19 Ca 0.32 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 2ee8 s ILE 19 Cb 0.06 -0.07 0.14 0.00 0.01 0.00 0.00 42.46 42.59 2ee8 s ILE 19 CO 0.14 -0.09 0.12 0.00 0.00 0.00 0.00 174.94 175.11 2ee8 n LYS 21 N -1.84 2.53 0.04 0.00 2.85 -1.26 -3.96 118.16 116.52 2ee8 n LYS 21 Ca 0.04 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.18 2ee8 n LYS 21 Cb 0.49 -0.97 -0.09 0.00 -0.65 0.00 0.00 35.03 33.81 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 -0.16 0.00 5.58 -1.00 -2.01 -3.38 116.94 115.97 2ee8 h PHE 22 Ca 0.00 -0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 2ee8 h PHE 22 Cb 0.95 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.53 2ee8 h PHE 22 CO 0.00 0.31 -1.97 0.00 -1.61 0.00 0.00 178.31 175.04 2ee8 n GLY 24 N 1.80 0.38 3.70 0.00 0.00 -1.25 -5.02 105.19 104.79 2ee8 n GLY 24 Ca -0.16 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.57 2.72 0.17 1.61 3.52 -1.26 -4.76 118.95 117.38 2ee8 s ARG 25 Ca 0.08 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.82 2ee8 s ARG 25 Cb -0.01 -2.64 -0.07 0.00 -1.56 0.00 0.00 34.95 30.67 2ee8 s ARG 25 CO 0.18 0.59 0.61 -1.01 -0.81 0.00 0.00 175.30 174.85 2ee8 s HIS 26 N -1.22 3.62 0.01 5.12 3.76 -1.26 -1.04 115.29 124.28 2ee8 s HIS 26 Ca 0.23 1.18 0.04 0.00 -0.15 0.00 0.00 55.06 56.37 2ee8 s HIS 26 Cb -0.12 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 2ee8 s HIS 26 CO 0.15 0.40 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.25 2ee8 s PHE 27 N -1.48 1.09 0.02 1.40 0.40 -1.21 -5.00 117.98 113.20 2ee8 s PHE 27 Ca 0.40 -0.26 -0.25 0.00 -0.60 0.00 0.00 56.93 56.21 2ee8 s PHE 27 Cb -0.16 -0.68 -0.17 0.00 0.51 0.00 0.00 43.02 42.52 2ee8 s PHE 27 CO 0.20 -0.00 1.37 1.79 0.70 0.00 0.00 175.22 179.27 2ee8 h THR 28 N 4.73 0.86 -2.93 0.64 1.35 -1.98 -3.41 112.91 112.18 2ee8 h THR 28 Ca -0.34 -0.55 -0.62 0.00 -0.55 0.00 0.00 66.41 64.35 2ee8 h THR 28 Cb 1.17 1.18 -0.05 0.00 -1.73 0.00 0.00 68.15 68.73 2ee8 h THR 28 CO 0.47 0.12 -0.43 -0.75 -0.25 0.00 0.00 175.52 174.68 2ee8 s LYS 29 N -4.97 3.51 0.20 4.72 2.20 -1.26 -4.95 119.74 119.19 2ee8 s LYS 29 Ca -0.15 -0.24 -0.08 0.00 -0.36 0.00 0.00 55.97 55.14 2ee8 s LYS 29 Cb 0.03 -3.03 0.12 0.00 -1.51 0.00 0.00 37.83 33.44 2ee8 s LYS 29 CO 0.60 0.61 1.66 0.66 -0.36 0.00 0.00 175.35 178.52 2ee8 h SER 30 N 3.47 1.00 -0.24 1.43 4.64 -1.93 -3.08 113.55 118.83 2ee8 h SER 30 Ca -0.48 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 60.52 2ee8 h SER 30 Cb 1.18 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 2ee8 h SER 30 CO 0.71 1.06 0.00 0.22 -0.87 0.00 0.00 176.83 177.95 2ee8 h TYR 31 N 0.94 0.47 -1.03 4.77 5.03 -1.98 -2.92 116.97 122.24 2ee8 h TYR 31 Ca 0.17 -0.08 0.26 0.00 2.58 0.00 0.00 58.73 61.66 2ee8 h TYR 31 Cb 0.55 -0.12 -0.10 0.00 1.55 0.00 0.00 36.73 38.61 2ee8 h TYR 31 CO 0.04 0.59 0.65 -0.97 -1.32 0.00 0.00 178.16 177.15 2ee8 h ASN 32 N 0.20 0.51 0.02 -2.11 -1.24 -1.96 -0.18 115.58 110.83 2ee8 h ASN 32 Ca 0.07 0.10 0.02 0.00 0.71 0.00 0.00 56.30 57.19 2ee8 h ASN 32 Cb 0.41 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 2ee8 h ASN 32 CO 0.01 0.10 -0.10 0.25 -1.29 0.00 0.00 177.43 176.40 2ee8 h LEU 33 N 0.45 -0.29 -0.93 0.34 5.85 -1.45 -2.36 115.31 116.91 2ee8 h LEU 33 Ca 0.61 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.43 2ee8 h LEU 33 Cb 1.42 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.51 2ee8 h LEU 33 CO -0.34 -0.15 0.59 0.17 -0.34 0.00 0.00 178.44 178.37 2ee8 h LEU 34 N -0.18 0.94 -1.88 2.25 8.10 -1.09 -0.58 115.31 122.86 2ee8 h LEU 34 Ca 0.03 0.01 0.09 0.00 0.11 0.00 0.00 57.88 58.13 2ee8 h LEU 34 Cb 0.22 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 40.24 2ee8 h LEU 34 CO -0.09 0.60 0.28 0.40 -4.11 0.00 0.00 178.44 175.52 2ee8 h ILE 35 N 1.08 0.87 0.00 0.15 2.04 -0.94 -2.52 117.51 118.19 2ee8 h ILE 35 Ca 0.40 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 66.22 2ee8 h ILE 35 Cb 0.16 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2ee8 h ILE 35 CO -0.17 0.02 -0.00 -0.74 0.00 0.00 0.00 178.15 177.26 2ee8 h HIS 36 N 0.14 -0.00 -1.42 1.37 2.76 -0.78 -3.30 115.15 113.91 2ee8 h HIS 36 Ca 0.19 -0.00 0.46 0.00 -2.20 0.00 0.00 60.37 58.82 2ee8 h HIS 36 Cb 0.56 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.40 2ee8 h HIS 36 CO -0.00 0.96 0.94 0.93 -1.30 0.00 0.00 177.93 179.46 2ee8 h GLU 37 N -0.97 0.05 -0.46 5.26 5.08 -0.90 0.41 114.58 123.06 2ee8 h GLU 37 Ca -0.00 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2ee8 h GLU 37 Cb 0.96 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.12 2ee8 h GLU 37 CO 0.00 0.03 -0.11 0.00 -1.00 0.00 0.00 179.01 177.93 2ee8 h ARG 38 N 0.05 0.00 -1.00 2.33 3.08 -1.60 -0.04 114.38 117.19 2ee8 h ARG 38 Ca 0.85 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 61.03 2ee8 h ARG 38 Cb 2.81 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 32.77 2ee8 h ARG 38 CO -0.37 0.00 0.63 1.79 -1.07 0.00 0.00 179.97 180.95 2ee8 h THR 39 N 0.00 0.87 -0.05 2.04 1.35 -0.36 -1.95 112.91 114.82 2ee8 h THR 39 Ca 0.22 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2ee8 h THR 39 Cb 0.33 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2ee8 h THR 39 CO -0.47 0.17 0.02 0.45 -0.25 0.00 0.00 175.52 175.44 2ee8 h HIS 40 N 0.93 0.08 -2.03 4.73 3.86 -1.07 -3.39 115.15 118.27 2ee8 h HIS 40 Ca 0.51 -0.01 -0.50 0.00 -1.16 0.00 0.00 60.37 59.21 2ee8 h HIS 40 Cb 0.58 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 2ee8 h HIS 40 CO -0.00 0.24 1.33 0.95 0.86 0.00 0.00 177.93 181.31 2ee8 s THR 41 N -5.45 3.38 -0.42 2.45 -4.23 -0.68 -4.93 115.64 105.76 2ee8 s THR 41 Ca -0.14 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.59 2ee8 s THR 41 Cb 0.05 -3.99 0.11 0.00 1.34 0.00 0.00 72.50 70.01 2ee8 s THR 41 CO 0.68 -0.95 0.19 -1.81 -0.54 0.00 0.00 174.62 172.19 2ee8 s ASP 42 N 7.77 5.09 -0.15 3.99 1.01 -1.26 -4.91 116.67 128.21 2ee8 s ASP 42 Ca 0.66 -2.19 -0.11 0.00 0.71 0.00 0.00 52.55 51.61 2ee8 s ASP 42 Cb -0.13 -1.77 -0.07 0.00 1.01 0.00 0.00 42.92 41.96 2ee8 s ASP 42 CO 0.21 -0.47 -0.03 -0.33 0.21 0.00 0.00 175.17 174.76 2ee8 h GLU 43 N 7.77 0.00 -3.25 8.23 5.08 -1.95 -3.45 114.58 127.01 2ee8 h GLU 43 Ca -0.09 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.66 2ee8 h GLU 43 Cb 1.02 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.87 2ee8 h GLU 43 CO 0.66 0.25 -0.73 1.03 -1.00 0.00 0.00 179.01 179.21 2ee8 s ARG 44 N -2.16 1.24 0.01 2.33 1.81 -1.26 -4.95 118.95 115.96 2ee8 s ARG 44 Ca -0.16 -1.86 0.14 0.00 -1.72 0.00 0.00 55.73 52.14 2ee8 s ARG 44 Cb 0.02 -2.40 0.61 0.00 -0.45 0.00 0.00 34.95 32.74 2ee8 s ARG 44 CO 0.28 -1.11 1.46 -0.35 -0.68 0.00 0.00 175.30 174.90 2ee8 n PRO 45 N 3.82 0.01 -2.68 3.54 -0.04 -1.26 -4.45 135.00 133.93 2ee8 n PRO 45 Ca 0.06 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 2ee8 n PRO 45 Cb 0.36 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2ee8 n PRO 45 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ee8 s TYR 46 N -3.01 2.76 -0.21 0.54 1.51 -1.26 -4.96 117.35 112.72 2ee8 s TYR 46 Ca 0.07 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.02 2ee8 s TYR 46 Cb 0.09 -4.57 0.03 0.00 -0.11 0.00 0.00 41.96 37.40 2ee8 s TYR 46 CO 0.26 -1.78 -0.15 0.99 -1.11 0.00 0.00 175.55 173.77 2ee8 s THR 47 N 4.12 2.28 1.11 -0.71 2.01 -1.26 -3.29 115.64 119.90 2ee8 s THR 47 Ca 0.43 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.15 2ee8 s THR 47 Cb -0.01 -2.09 0.28 0.00 0.01 0.00 0.00 72.50 70.69 2ee8 s THR 47 CO -0.08 0.35 0.62 0.00 -0.69 0.00 0.00 174.62 174.82 2ee8 n ASP 49 N -4.38 0.64 0.00 0.00 5.75 -1.26 -4.23 116.55 113.06 2ee8 n ASP 49 Ca 0.10 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.18 2ee8 n ASP 49 Cb 0.43 0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2ee8 n ILE 50 N -2.93 0.00 0.22 2.12 5.41 -1.26 -4.72 119.36 118.19 2ee8 n ILE 50 Ca -0.20 0.03 0.11 0.00 1.00 0.00 0.00 62.75 63.69 2ee8 n ILE 50 Cb 1.04 -0.84 0.58 0.00 -0.71 0.00 0.00 39.64 39.71 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 -2.37 -1.10 -1.89 0.00 1.44 -1.26 -4.90 115.22 105.15 2ee8 n HIS 52 Ca -0.01 0.58 -0.23 0.00 -2.01 0.00 0.00 57.72 56.04 2ee8 n HIS 52 Cb 0.26 -2.19 0.16 0.00 0.12 0.00 0.00 29.99 28.34 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 -4.02 -0.89 -4.81 -1.40 5.02 -1.26 -4.61 118.16 106.19 2ee8 n LYS 53 Ca -0.14 -1.79 -0.33 0.00 -2.02 0.00 0.00 58.31 54.03 2ee8 n LYS 53 Cb 0.54 -1.03 -0.13 0.00 -0.02 0.00 0.00 35.03 34.39 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 -3.83 2.73 0.18 7.82 0.00 -1.26 -3.63 121.76 123.77 2ee8 s ALA 54 Ca 0.61 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2ee8 s ALA 54 Cb -0.02 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2ee8 s ALA 54 CO 0.42 0.50 -0.02 -0.06 0.00 0.00 0.00 175.76 176.61 2ee8 s PHE 55 N -0.55 1.31 -0.02 0.00 0.40 -1.21 -5.06 117.98 112.86 2ee8 s PHE 55 Ca 0.08 -0.95 0.07 0.00 -0.60 0.00 0.00 56.93 55.52 2ee8 s PHE 55 Cb -0.12 -0.74 -0.11 0.00 0.51 0.00 0.00 43.02 42.56 2ee8 s PHE 55 CO 0.02 -0.12 0.16 2.89 0.70 0.00 0.00 175.22 178.86 2ee8 n ARG 56 N -0.28 0.35 -4.18 0.44 0.00 -1.26 -4.55 116.66 107.18 2ee8 n ARG 56 Ca -0.07 -0.06 -0.17 0.00 -0.00 0.00 0.00 57.85 57.55 2ee8 n ARG 56 Cb 0.63 -1.16 -0.12 0.00 -0.00 0.00 0.00 32.46 31.81 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 -2.47 0.84 -0.09 2.89 0.52 -1.26 -5.08 118.95 114.31 2ee8 s ARG 57 Ca -0.02 -1.01 -0.09 0.00 -0.52 0.00 0.00 55.73 54.08 2ee8 s ARG 57 Cb 0.05 -0.77 -0.07 0.00 0.52 0.00 0.00 34.95 34.68 2ee8 s ARG 57 CO 0.30 0.16 0.32 1.96 0.02 0.00 0.00 175.30 178.06 2ee8 h GLN 58 N 4.09 -0.14 -1.59 3.54 4.20 -1.98 -2.85 115.11 120.38 2ee8 h GLN 58 Ca -0.40 0.01 0.46 0.00 0.06 0.00 0.00 58.65 58.78 2ee8 h GLN 58 Cb 1.19 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.94 2ee8 h GLN 58 CO 0.43 0.07 1.24 -0.40 -0.67 0.00 0.00 178.83 179.50 2ee8 n ASP 59 N -4.85 0.00 -0.05 1.46 5.75 -1.26 0.13 116.55 117.73 2ee8 n ASP 59 Ca -0.03 0.84 -0.19 0.00 -0.01 0.00 0.00 54.79 55.39 2ee8 n ASP 59 Cb 0.13 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 39.70 2ee8 n ASP 59 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2ee8 h HIS 60 N 0.00 0.17 -0.70 2.11 3.86 -2.00 -3.24 115.15 115.34 2ee8 h HIS 60 Ca 0.75 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.86 2ee8 h HIS 60 Cb 3.22 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 31.65 2ee8 h HIS 60 CO 0.00 1.37 0.46 1.25 0.86 0.00 0.00 177.93 181.87 2ee8 h LEU 61 N -0.75 0.79 0.69 2.43 5.85 0.14 0.36 115.31 124.82 2ee8 h LEU 61 Ca -0.23 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 2ee8 h LEU 61 Cb 1.38 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.22 2ee8 h LEU 61 CO -0.05 0.57 -0.33 -0.09 -0.34 0.00 0.00 178.44 178.20 2ee8 h ARG 62 N 0.93 -0.89 -0.26 1.25 2.43 -0.76 -2.73 114.38 114.34 2ee8 h ARG 62 Ca 0.26 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.46 2ee8 h ARG 62 Cb -0.08 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2ee8 h ARG 62 CO -0.06 -0.60 0.03 0.38 -1.51 0.00 0.00 179.97 178.22 2ee8 h ASP 63 N -1.01 0.34 -0.02 -3.80 3.04 -1.56 -3.02 116.42 110.39 2ee8 h ASP 63 Ca -0.09 -0.04 0.03 0.00 -3.24 0.00 0.00 57.03 53.68 2ee8 h ASP 63 Cb 0.71 -0.09 -0.06 0.00 -1.04 0.00 0.00 39.33 38.86 2ee8 h ASP 63 CO 0.16 0.38 -0.41 -0.74 -2.04 0.00 0.00 179.24 176.58 2ee8 h HIS 64 N 0.37 -1.16 -1.87 4.15 2.76 -0.19 0.04 115.15 119.25 2ee8 h HIS 64 Ca 0.09 0.04 0.55 0.00 -2.20 0.00 0.00 60.37 58.84 2ee8 h HIS 64 Cb 0.19 0.51 -0.08 0.00 1.55 0.00 0.00 27.41 29.59 2ee8 h HIS 64 CO 0.00 -0.49 1.34 0.54 -1.30 0.00 0.00 177.93 178.02 2ee8 n ARG 65 N -5.44 -0.00 -0.28 5.26 1.74 -1.04 0.27 116.66 117.17 2ee8 n ARG 65 Ca -0.05 1.05 0.09 0.00 -0.77 0.00 0.00 57.85 58.17 2ee8 n ARG 65 Cb 0.37 -2.41 0.22 0.00 -1.02 0.00 0.00 32.46 29.62 2ee8 n ARG 65 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2ee8 h TYR 66 N 0.00 0.17 -1.17 -1.55 5.03 -1.12 0.36 116.97 118.69 2ee8 h TYR 66 Ca 0.90 0.05 0.35 0.00 2.58 0.00 0.00 58.73 62.62 2ee8 h TYR 66 Cb 3.58 0.05 -0.11 0.00 1.55 0.00 0.00 36.73 41.80 2ee8 h TYR 66 CO -0.00 -0.21 0.75 -0.84 -1.32 0.00 0.00 178.16 176.54 2ee8 h ILE 67 N 0.17 0.31 -0.69 1.81 3.07 -0.35 -3.21 117.51 118.63 2ee8 h ILE 67 Ca 0.48 -0.08 -0.53 0.00 1.55 0.00 0.00 64.86 66.28 2ee8 h ILE 67 Cb 0.89 0.06 -0.06 0.00 -0.27 0.00 0.00 36.82 37.44 2ee8 h ILE 67 CO -0.64 0.04 1.71 -1.00 -1.05 0.00 0.00 178.15 177.21 2ee8 s HIS 68 N -5.41 2.42 0.54 0.16 3.76 0.13 -4.96 115.29 111.93 2ee8 s HIS 68 Ca -0.08 -0.71 -0.20 0.00 -0.15 0.00 0.00 55.06 53.91 2ee8 s HIS 68 Cb 0.28 -4.43 -0.05 0.00 1.11 0.00 0.00 32.58 29.49 2ee8 s HIS 68 CO 0.81 -1.54 1.20 -1.54 -0.85 0.00 0.00 174.74 172.82 2ee8 s SER 69 N 5.21 5.57 0.05 1.40 1.04 -1.22 -5.00 113.70 120.76 2ee8 s SER 69 Ca 0.60 2.38 -0.20 0.00 0.48 0.00 0.00 55.95 59.21 2ee8 s SER 69 Cb 0.02 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 2ee8 s SER 69 CO 0.10 -1.33 0.58 -1.59 0.98 0.00 0.00 173.24 171.98 2ee8 s LYS 70 N -3.09 4.24 0.31 4.02 -2.85 -1.26 -5.01 119.74 116.09 2ee8 s LYS 70 Ca 0.72 0.74 -0.24 0.00 -1.00 0.00 0.00 55.97 56.19 2ee8 s LYS 70 Cb -0.30 -3.27 -0.16 0.00 -2.06 0.00 0.00 37.83 32.04 2ee8 s LYS 70 CO 0.34 0.57 0.30 0.39 0.10 0.00 0.00 175.35 177.05 2ee8 n GLU 71 N 1.99 0.01 -5.13 1.78 1.02 -1.26 -4.97 120.64 114.08 2ee8 n GLU 71 Ca -0.09 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 2ee8 n GLU 71 Cb 0.51 -1.01 -0.16 0.00 -0.02 0.00 0.00 31.44 30.76 2ee8 n GLU 71 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ee8 s LYS 72 N -1.01 2.21 0.23 3.49 1.02 -1.26 -5.01 119.74 119.41 2ee8 s LYS 72 Ca 0.62 -0.81 0.22 0.00 0.02 0.00 0.00 55.97 56.02 2ee8 s LYS 72 Cb -0.78 -1.93 0.94 0.00 -0.52 0.00 0.00 37.83 35.55 2ee8 s LYS 72 CO 0.60 0.37 1.68 -0.35 -0.92 0.00 0.00 175.35 176.73 2ee8 n PRO 73 N 2.91 0.17 -0.40 -1.68 -0.04 -1.26 -2.49 135.00 132.21 2ee8 n PRO 73 Ca -0.17 0.41 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 2ee8 n PRO 73 Cb 0.52 -1.83 0.17 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.16 0.94 -4.37 0.54 3.01 -1.26 -4.79 117.46 109.36 2ee8 n PHE 74 Ca 0.02 -0.36 -0.22 0.00 1.01 0.00 0.00 57.45 57.90 2ee8 n PHE 74 Cb 0.22 -0.30 -0.16 0.00 -0.01 0.00 0.00 39.48 39.23 2ee8 n PHE 74 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2ee8 s LYS 75 N -1.76 1.29 0.78 -1.08 2.20 -1.04 -3.96 119.74 116.17 2ee8 s LYS 75 Ca 0.24 -0.27 -0.12 0.00 -0.36 0.00 0.00 55.97 55.46 2ee8 s LYS 75 Cb 0.18 -1.14 0.07 0.00 -1.51 0.00 0.00 37.83 35.43 2ee8 s LYS 75 CO 0.07 -0.03 1.15 0.00 -0.36 0.00 0.00 175.35 176.18 2ee8 n GLN 77 N -3.31 0.80 0.00 0.00 1.13 -1.26 -3.51 117.38 111.23 2ee8 n GLN 77 Ca 0.11 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2ee8 n GLN 77 Cb 0.52 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.41 2ee8 n GLN 77 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2ee8 n GLU 78 N -2.94 0.00 -0.02 -1.09 4.71 -1.26 -4.32 120.64 115.72 2ee8 n GLU 78 Ca -0.36 0.44 -0.22 0.00 -0.01 0.00 0.00 57.16 57.02 2ee8 n GLU 78 Cb 1.00 -1.39 -0.13 0.00 -1.01 0.00 0.00 31.44 29.91 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 1.81 0.59 3.75 0.00 0.00 -1.23 -5.06 105.19 105.05 2ee8 n GLY 80 Ca -0.31 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 0.35 1.49 -0.51 1.61 -0.14 -1.26 -4.81 119.74 116.47 2ee8 s LYS 81 Ca 0.00 0.70 0.03 0.00 -1.36 0.00 0.00 55.97 55.35 2ee8 s LYS 81 Cb 0.00 -1.85 0.43 0.00 -1.68 0.00 0.00 37.83 34.73 2ee8 s LYS 81 CO 0.00 -2.05 1.47 0.41 -0.76 0.00 0.00 175.35 174.43 2ee8 n GLY 82 N -1.54 6.02 3.58 -3.33 0.00 -1.26 -3.66 105.19 105.01 2ee8 n GLY 82 Ca 0.07 -2.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.08 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 -0.64 1.79 0.33 1.61 3.72 -1.25 -4.80 117.46 118.21 2ee8 n PHE 83 Ca 0.48 -0.05 0.14 0.00 -0.05 0.00 0.00 57.45 57.97 2ee8 n PHE 83 Cb 0.68 -2.70 0.62 0.00 -0.94 0.00 0.00 39.48 37.14 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 -3.51 2.61 -0.19 0.00 -1.52 -1.26 -5.07 119.66 110.73 2ee8 s GLN 85 Ca 0.02 -1.31 -0.21 0.00 -1.95 0.00 0.00 55.36 51.90 2ee8 s GLN 85 Cb 0.09 -2.36 -0.18 0.00 -0.22 0.00 0.00 33.01 30.34 2ee8 s GLN 85 CO 0.41 0.24 0.27 1.03 -0.25 0.00 0.00 175.29 176.99 2ee8 h SER 86 N 1.51 0.00 -0.98 5.90 0.87 -1.96 -3.31 113.55 115.60 2ee8 h SER 86 Ca -0.45 -0.53 0.16 0.00 -1.23 0.00 0.00 61.79 59.74 2ee8 h SER 86 Cb 1.25 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.04 2ee8 h SER 86 CO 0.61 1.29 -0.36 -0.09 -0.53 0.00 0.00 176.83 177.75 2ee8 h ARG 87 N -1.00 -0.01 -0.03 2.24 1.12 -1.98 0.18 114.38 114.90 2ee8 h ARG 87 Ca -0.24 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.65 2ee8 h ARG 87 Cb 1.12 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.06 2ee8 h ARG 87 CO -0.14 -0.01 -0.08 1.15 -3.11 0.00 0.00 179.97 177.78 2ee8 h THR 88 N -0.01 0.79 -0.99 0.20 2.02 -1.98 -2.36 112.91 110.58 2ee8 h THR 88 Ca 0.37 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.89 2ee8 h THR 88 Cb 0.62 0.79 -0.18 0.00 -1.74 0.00 0.00 68.15 67.64 2ee8 h THR 88 CO -0.98 0.00 0.30 0.25 0.37 0.00 0.00 175.52 175.45 2ee8 h LEU 89 N -0.12 -0.05 0.24 2.58 5.85 -0.74 0.10 115.31 123.17 2ee8 h LEU 89 Ca 0.04 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2ee8 h LEU 89 Cb 0.18 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2ee8 h LEU 89 CO -0.10 -0.38 -0.11 0.00 -0.34 0.00 0.00 178.44 177.51 2ee8 h ALA 90 N 1.98 -0.78 -1.46 1.25 0.00 -1.03 0.20 119.26 119.41 2ee8 h ALA 90 Ca 0.72 -0.07 0.44 0.00 0.00 0.00 0.00 54.91 56.00 2ee8 h ALA 90 Cb 1.71 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.54 2ee8 h ALA 90 CO -0.83 -0.76 1.01 0.28 0.00 0.00 0.00 179.25 178.96 2ee8 h VAL 91 N -0.42 0.19 0.09 0.00 2.07 -1.05 0.37 116.25 117.50 2ee8 h VAL 91 Ca -0.03 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 2ee8 h VAL 91 Cb 0.24 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2ee8 h VAL 91 CO 0.05 0.01 -0.53 -0.74 0.02 0.00 0.00 177.57 176.39 2ee8 h HIS 92 N 0.07 0.37 -0.83 1.57 6.17 -0.77 -3.33 115.15 118.39 2ee8 h HIS 92 Ca 0.77 -0.26 0.21 0.00 0.71 0.00 0.00 60.37 61.80 2ee8 h HIS 92 Cb 2.77 -0.02 -0.13 0.00 2.52 0.00 0.00 27.41 32.55 2ee8 h HIS 92 CO -0.00 1.19 0.22 0.87 0.71 0.00 0.00 177.93 180.92 2ee8 h LYS 93 N -0.56 0.24 -0.64 5.26 1.57 0.30 -1.71 116.57 121.03 2ee8 h LYS 93 Ca -0.09 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2ee8 h LYS 93 Cb 1.40 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.56 2ee8 h LYS 93 CO 0.10 0.16 -0.55 1.79 -0.57 0.00 0.00 179.45 180.38 2ee8 h THR 94 N 0.25 0.00 -1.40 -0.16 1.35 -1.51 0.46 112.91 111.88 2ee8 h THR 94 Ca 0.50 0.00 0.48 0.00 -0.55 0.00 0.00 66.41 66.85 2ee8 h THR 94 Cb 0.96 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.24 2ee8 h THR 94 CO -0.60 0.00 0.91 0.17 -0.25 0.00 0.00 175.52 175.75 2ee8 h LEU 95 N -0.22 0.19 -3.41 3.87 8.10 -1.48 0.35 115.31 122.73 2ee8 h LEU 95 Ca 0.11 0.15 -0.10 0.00 0.11 0.00 0.00 57.88 58.15 2ee8 h LEU 95 Cb 0.49 0.15 -0.04 0.00 -0.44 0.00 0.00 40.66 40.83 2ee8 h LEU 95 CO -0.72 -0.25 -0.08 1.41 -4.11 0.00 0.00 178.44 174.69 2ee8 n HIS 96 N -4.70 0.17 -0.05 0.17 8.25 0.16 -3.70 115.22 115.50 2ee8 n HIS 96 Ca 0.40 -1.26 -0.07 0.00 -0.26 0.00 0.00 57.72 56.53 2ee8 n HIS 96 Cb 1.58 -0.91 -0.05 0.00 1.12 0.00 0.00 29.99 31.72 2ee8 n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ee8 n MET 97 N 1.72 0.62 -3.48 -0.41 0.00 0.12 -4.86 117.12 110.84 2ee8 n MET 97 Ca 0.18 0.05 -0.27 0.00 0.00 0.00 0.00 57.70 57.66 2ee8 n MET 97 Cb 0.64 -1.22 -0.10 0.00 0.00 0.00 0.00 33.22 32.54 2ee8 n MET 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ee8 n GLN 98 N -2.75 1.00 -4.31 3.17 10.64 -1.24 -5.10 117.38 118.79 2ee8 n GLN 98 Ca -0.19 -3.70 -0.16 0.00 -1.83 0.00 0.00 57.00 51.12 2ee8 n GLN 98 Cb 0.72 -1.80 -0.10 0.00 -0.86 0.00 0.00 30.24 28.20 2ee8 n GLN 98 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 2ee8 s THR 99 N -0.91 0.65 -0.56 -0.39 -1.32 -1.26 -4.88 115.64 106.97 2ee8 s THR 99 Ca 0.32 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.79 2ee8 s THR 99 Cb 0.06 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.55 2ee8 s THR 99 CO -0.15 -0.13 0.48 -0.24 -2.21 0.00 0.00 174.62 172.37 2ee8 n SER 100 N -0.42 -2.99 -3.56 8.08 2.88 -1.26 -5.01 113.62 111.35 2ee8 n SER 100 Ca -0.02 -0.25 -0.27 0.00 -1.33 0.00 0.00 58.87 57.00 2ee8 n SER 100 Cb 0.65 -2.50 -0.10 0.00 -0.75 0.00 0.00 64.21 61.51 2ee8 n SER 100 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ee8 n SER 101 N -1.19 1.72 -4.77 -3.46 7.64 -1.26 -5.11 113.62 107.19 2ee8 n SER 101 Ca -0.06 -2.94 -0.38 0.00 1.01 0.00 0.00 58.87 56.51 2ee8 n SER 101 Cb 0.55 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2ee8 n SER 101 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ee8 s PRO 102 N -1.18 3.95 0.00 1.43 0.04 -1.26 -4.97 135.00 133.01 2ee8 s PRO 102 Ca 0.32 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2ee8 s PRO 102 Cb 0.05 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2ee8 s PRO 102 CO -0.14 -0.41 0.00 0.25 0.04 0.00 0.00 177.00 176.74 2ee8 n THR 103 N -0.11 0.00 -4.06 1.26 -2.24 -1.26 -5.12 114.28 102.75 2ee8 n THR 103 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 2ee8 n THR 103 Cb 0.47 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 2ee8 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ee8 s ALA 104 N -1.98 0.37 -0.85 6.98 0.00 -1.26 -5.11 121.76 119.90 2ee8 s ALA 104 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.57 2ee8 s ALA 104 Cb 0.00 1.15 0.22 0.00 0.00 0.00 0.00 23.12 24.50 2ee8 s ALA 104 CO 0.00 -0.79 0.80 0.00 0.00 0.00 0.00 175.76 175.77 2ee8 s ALA 105 N -3.67 4.15 -3.00 0.00 0.00 -1.26 -5.25 121.76 112.73 2ee8 s ALA 105 Ca 0.28 -3.38 0.24 0.00 0.00 0.00 0.00 51.96 49.10 2ee8 s ALA 105 Cb 0.01 -3.52 0.20 0.00 0.00 0.00 0.00 23.12 19.81 2ee8 s ALA 105 CO 0.14 -2.27 1.26 0.45 0.00 0.00 0.00 175.76 175.34