#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 -0.49 0.30 1.61 0.01 -1.26 -5.19 113.70 108.68 2ee8 s SER 2 Ca 0.00 0.67 -0.04 0.00 1.31 0.00 0.00 55.95 57.89 2ee8 s SER 2 Cb 0.00 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.81 2ee8 s SER 2 CO 0.00 -0.35 0.41 -0.55 0.41 0.00 0.00 173.24 173.16 2ee8 s SER 3 N -0.69 0.58 0.22 2.44 0.15 -1.26 -5.19 113.70 109.96 2ee8 s SER 3 Ca -0.03 -1.35 -0.23 0.00 0.70 0.00 0.00 55.95 55.05 2ee8 s SER 3 Cb -0.02 0.59 0.04 0.00 -1.71 0.00 0.00 66.02 64.93 2ee8 s SER 3 CO 0.02 -1.17 0.79 -0.83 1.20 0.00 0.00 173.24 173.24 2ee8 s GLY 4 N -3.18 -0.20 0.15 9.45 0.00 -1.26 -5.19 107.32 107.09 2ee8 s GLY 4 Ca 0.30 -0.04 -0.25 0.00 0.00 0.00 0.00 44.72 44.74 2ee8 s GLY 4 CO 0.17 -0.02 0.93 -1.35 0.00 0.00 0.00 173.10 172.83 2ee8 s SER 5 N -2.89 -0.20 0.32 1.64 1.04 -1.26 -5.19 113.70 107.15 2ee8 s SER 5 Ca 0.10 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.17 2ee8 s SER 5 Cb -0.04 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 2ee8 s SER 5 CO 0.03 -0.90 0.36 -0.44 0.98 0.00 0.00 173.24 173.26 2ee8 s SER 6 N -2.90 1.13 0.01 7.02 0.01 -1.26 -5.19 113.70 112.53 2ee8 s SER 6 Ca 0.11 -1.57 -0.29 0.00 1.31 0.00 0.00 55.95 55.51 2ee8 s SER 6 Cb -0.02 0.59 0.10 0.00 0.21 0.00 0.00 66.02 66.91 2ee8 s SER 6 CO 0.01 -1.15 1.14 -0.83 0.41 0.00 0.00 173.24 172.83 2ee8 s GLY 7 N -3.28 -0.35 -0.29 3.44 0.00 -1.26 -5.18 107.32 100.40 2ee8 s GLY 7 Ca 0.35 0.68 -0.18 0.00 0.00 0.00 0.00 44.72 45.58 2ee8 s GLY 7 CO 0.22 0.16 1.17 -0.32 0.00 0.00 0.00 173.10 174.34 2ee8 s GLY 8 N -2.81 0.33 0.20 0.20 0.00 -1.26 -5.09 107.32 98.90 2ee8 s GLY 8 Ca 0.12 3.49 0.00 0.00 0.00 0.00 0.00 44.72 48.33 2ee8 s GLY 8 CO -0.03 2.53 0.00 0.54 0.00 0.00 0.00 173.10 176.15 2ee8 n ARG 9 N 3.03 0.00 -3.75 2.90 1.74 -1.26 -5.06 116.66 114.26 2ee8 n ARG 9 Ca -0.16 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.68 2ee8 n ARG 9 Cb 0.57 -0.15 0.02 0.00 -1.02 0.00 0.00 32.46 31.88 2ee8 n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ee8 n LEU 10 N -3.35 -2.94 -4.69 0.55 4.77 -1.26 -4.95 117.00 105.12 2ee8 n LEU 10 Ca 0.00 -0.89 -0.29 0.00 -0.03 0.00 0.00 56.01 54.80 2ee8 n LEU 10 Cb 0.02 -2.53 0.16 0.00 -2.33 0.00 0.00 43.42 38.74 2ee8 n LEU 10 CO 0.00 0.41 0.65 -2.16 -1.33 0.00 0.00 177.39 174.96 2ee8 s PRO 11 N -6.06 0.74 -0.29 3.23 0.04 -1.26 -5.08 135.00 126.31 2ee8 s PRO 11 Ca 0.08 0.64 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 2ee8 s PRO 11 Cb -0.03 -1.76 0.13 0.00 0.04 0.00 0.00 34.50 32.88 2ee8 s PRO 11 CO 0.84 -2.55 0.84 -1.54 0.04 0.00 0.00 177.00 174.63 2ee8 s SER 12 N -3.44 -0.76 -0.27 6.66 1.04 -1.26 -5.16 113.70 110.51 2ee8 s SER 12 Ca 0.65 1.13 -0.18 0.00 0.48 0.00 0.00 55.95 58.03 2ee8 s SER 12 Cb -0.18 1.56 0.08 0.00 0.10 0.00 0.00 66.02 67.57 2ee8 s SER 12 CO 0.57 -0.17 0.69 -0.75 0.98 0.00 0.00 173.24 174.56 2ee8 s LYS 13 N 1.95 0.73 -0.06 4.02 2.20 -1.26 -5.16 119.74 122.16 2ee8 s LYS 13 Ca -0.07 1.15 -0.02 0.00 -0.36 0.00 0.00 55.97 56.66 2ee8 s LYS 13 Cb -0.06 0.21 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 2ee8 s LYS 13 CO -0.18 -0.14 0.12 0.95 -0.36 0.00 0.00 175.35 175.75 2ee8 s THR 14 N 1.27 -0.12 0.05 3.43 -4.23 -1.26 -5.15 115.64 109.62 2ee8 s THR 14 Ca -0.07 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 2ee8 s THR 14 Cb -0.05 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 2ee8 s THR 14 CO -0.14 0.11 -0.00 -0.54 -0.54 0.00 0.00 174.62 173.51 2ee8 s LYS 15 N 1.59 0.58 -0.03 3.99 -0.14 -1.26 -5.17 119.74 119.30 2ee8 s LYS 15 Ca -0.04 -1.06 -0.16 0.00 -1.36 0.00 0.00 55.97 53.35 2ee8 s LYS 15 Cb -0.12 0.21 0.03 0.00 -1.68 0.00 0.00 37.83 36.27 2ee8 s LYS 15 CO -0.05 -0.12 0.35 -1.59 -0.76 0.00 0.00 175.35 173.18 2ee8 s LYS 16 N -3.40 0.69 0.03 1.68 -2.85 -1.26 -5.17 119.74 109.46 2ee8 s LYS 16 Ca 0.02 -0.10 -0.21 0.00 -1.00 0.00 0.00 55.97 54.68 2ee8 s LYS 16 Cb 0.04 0.31 0.05 0.00 -2.06 0.00 0.00 37.83 36.17 2ee8 s LYS 16 CO -0.08 -0.19 0.48 -1.83 0.10 0.00 0.00 175.35 173.83 2ee8 s GLU 17 N -1.21 0.97 0.29 1.78 -1.05 -1.26 -5.13 118.70 113.09 2ee8 s GLU 17 Ca -0.12 -0.24 0.11 0.00 -0.15 0.00 0.00 54.97 54.56 2ee8 s GLU 17 Cb -0.05 0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 2ee8 s GLU 17 CO 0.05 -0.34 -0.11 -0.06 0.95 0.00 0.00 175.26 175.75 2ee8 s PHE 18 N -2.29 2.45 -0.02 4.83 0.08 -1.26 -5.10 117.98 116.67 2ee8 s PHE 18 Ca -0.06 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 2ee8 s PHE 18 Cb -0.01 -1.14 0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2ee8 s PHE 18 CO -0.01 0.65 0.04 0.42 -0.10 0.00 0.00 175.22 176.22 2ee8 s ILE 19 N -2.46 -0.02 0.98 0.64 1.01 -1.26 -3.63 121.20 116.47 2ee8 s ILE 19 Ca 0.31 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 2ee8 s ILE 19 Cb -0.04 -0.07 -0.08 0.00 0.01 0.00 0.00 42.46 42.27 2ee8 s ILE 19 CO 0.17 0.02 -0.35 0.00 0.00 0.00 0.00 174.94 174.78 2ee8 n LYS 21 N 0.92 2.10 -0.13 0.00 -0.00 -1.26 -3.54 118.16 116.26 2ee8 n LYS 21 Ca 0.01 0.01 -0.10 0.00 -0.00 0.00 0.00 58.31 58.24 2ee8 n LYS 21 Cb 0.55 -1.14 -0.01 0.00 -0.00 0.00 0.00 35.03 34.42 2ee8 n LYS 21 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2ee8 h PHE 22 N 0.00 0.61 0.00 5.58 0.04 -1.98 -3.39 116.94 117.80 2ee8 h PHE 22 Ca -0.16 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2ee8 h PHE 22 Cb 1.31 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2ee8 h PHE 22 CO 0.00 0.59 -0.67 0.00 -0.60 0.00 0.00 178.31 177.64 2ee8 n GLY 24 N 2.40 -0.60 3.02 0.00 0.00 -1.23 -5.02 105.19 103.77 2ee8 n GLY 24 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.19 0.17 0.19 1.61 3.52 -1.26 -4.78 118.95 118.21 2ee8 s ARG 25 Ca 0.00 0.20 -0.25 0.00 -0.13 0.00 0.00 55.73 55.54 2ee8 s ARG 25 Cb 0.00 0.08 -0.08 0.00 -1.56 0.00 0.00 34.95 33.39 2ee8 s ARG 25 CO 0.00 -0.02 0.80 -1.01 -0.81 0.00 0.00 175.30 174.26 2ee8 s HIS 26 N 0.07 3.88 -0.00 5.12 3.76 -1.26 -1.29 115.29 125.56 2ee8 s HIS 26 Ca -0.00 1.65 0.02 0.00 -0.15 0.00 0.00 55.06 56.58 2ee8 s HIS 26 Cb -0.01 -2.79 -0.01 0.00 1.11 0.00 0.00 32.58 30.89 2ee8 s HIS 26 CO 0.00 0.47 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.23 2ee8 s PHE 27 N -1.22 0.62 0.11 1.40 0.40 -1.24 -5.01 117.98 113.04 2ee8 s PHE 27 Ca 0.38 -0.14 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 2ee8 s PHE 27 Cb -0.23 -0.40 -0.14 0.00 0.51 0.00 0.00 43.02 42.77 2ee8 s PHE 27 CO 0.26 -0.01 1.27 0.00 0.70 0.00 0.00 175.22 177.44 2ee8 h THR 28 N 4.94 1.34 -3.45 0.64 1.03 -1.97 -3.42 112.91 112.02 2ee8 h THR 28 Ca -0.30 -2.31 -0.68 0.00 -0.01 0.00 0.00 66.41 63.12 2ee8 h THR 28 Cb 1.19 2.34 -0.32 0.00 -1.07 0.00 0.00 68.15 70.29 2ee8 h THR 28 CO 0.49 0.70 -0.86 -1.59 -0.01 0.00 0.00 175.52 174.25 2ee8 s LYS 29 N -3.36 3.02 0.17 0.00 -2.85 -1.26 -5.03 119.74 110.44 2ee8 s LYS 29 Ca -0.08 -0.85 -0.23 0.00 -1.00 0.00 0.00 55.97 53.82 2ee8 s LYS 29 Cb 0.08 -2.34 0.08 0.00 -2.06 0.00 0.00 37.83 33.60 2ee8 s LYS 29 CO 0.89 0.22 1.59 0.66 0.10 0.00 0.00 175.35 178.81 2ee8 h SER 30 N 6.59 -1.20 -0.95 0.03 4.64 -1.99 -0.38 113.55 120.29 2ee8 h SER 30 Ca -0.22 0.22 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2ee8 h SER 30 Cb 1.22 0.57 -0.18 0.00 -0.31 0.00 0.00 62.40 63.71 2ee8 h SER 30 CO 0.48 -0.32 -0.19 0.22 -0.87 0.00 0.00 176.83 176.16 2ee8 h TYR 31 N -0.22 -0.41 -0.98 4.77 5.03 -1.99 1.05 116.97 124.22 2ee8 h TYR 31 Ca 0.20 0.08 0.16 0.00 2.58 0.00 0.00 58.73 61.75 2ee8 h TYR 31 Cb 0.55 0.33 -0.09 0.00 1.55 0.00 0.00 36.73 39.07 2ee8 h TYR 31 CO -0.61 -0.41 0.61 -0.97 -1.32 0.00 0.00 178.16 175.46 2ee8 h ASN 32 N 0.00 0.77 0.78 -2.11 -0.73 -1.49 -1.83 115.58 110.97 2ee8 h ASN 32 Ca 0.48 0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.68 2ee8 h ASN 32 Cb 0.79 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.31 2ee8 h ASN 32 CO -0.96 0.34 -0.37 0.25 -0.37 0.00 0.00 177.43 176.31 2ee8 h LEU 33 N 0.78 -0.89 -0.99 0.34 5.85 0.13 -2.31 115.31 118.22 2ee8 h LEU 33 Ca 0.52 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.48 2ee8 h LEU 33 Cb 0.79 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.93 2ee8 h LEU 33 CO -0.30 -0.60 0.58 0.17 -0.34 0.00 0.00 178.44 177.96 2ee8 h LEU 34 N -1.11 0.70 -1.27 2.25 8.10 -1.04 0.49 115.31 123.43 2ee8 h LEU 34 Ca -0.11 0.12 -0.02 0.00 0.11 0.00 0.00 57.88 57.98 2ee8 h LEU 34 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.01 2ee8 h LEU 34 CO 0.18 0.18 0.22 0.40 -4.11 0.00 0.00 178.44 175.30 2ee8 h ILE 35 N 0.65 1.18 0.00 0.15 2.04 -1.13 0.36 117.51 120.76 2ee8 h ILE 35 Ca 0.61 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 2ee8 h ILE 35 Cb 1.05 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2ee8 h ILE 35 CO -0.44 0.22 -0.83 -0.74 0.00 0.00 0.00 178.15 176.36 2ee8 h HIS 36 N 0.72 0.00 0.00 1.37 2.76 0.16 -3.23 115.15 116.92 2ee8 h HIS 36 Ca 0.18 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2ee8 h HIS 36 Cb 0.12 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2ee8 h HIS 36 CO 0.01 0.45 -0.40 0.93 -1.30 0.00 0.00 177.93 177.62 2ee8 h GLU 37 N 0.00 0.00 0.00 5.26 5.08 0.39 -3.23 114.58 122.08 2ee8 h GLU 37 Ca -0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 2ee8 h GLU 37 Cb 1.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 2ee8 h GLU 37 CO 0.05 0.40 -0.98 0.07 -1.00 0.00 0.00 179.01 177.56 2ee8 h ARG 38 N 0.00 0.00 -0.27 2.33 0.11 -1.01 -3.28 114.38 112.26 2ee8 h ARG 38 Ca -0.00 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 2ee8 h ARG 38 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2ee8 h ARG 38 CO 0.05 0.98 -0.35 1.79 0.10 0.00 0.00 179.97 182.54 2ee8 h THR 39 N 0.00 1.29 -0.57 0.08 1.35 -1.58 0.28 112.91 113.76 2ee8 h THR 39 Ca -0.01 -1.49 0.10 0.00 -0.55 0.00 0.00 66.41 64.46 2ee8 h THR 39 Cb 1.73 1.46 -0.08 0.00 -1.73 0.00 0.00 68.15 69.53 2ee8 h THR 39 CO 0.13 0.47 0.16 0.45 -0.25 0.00 0.00 175.52 176.48 2ee8 h HIS 40 N 0.50 0.26 0.11 4.73 3.86 -1.61 -3.02 115.15 119.98 2ee8 h HIS 40 Ca 0.05 0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 59.01 2ee8 h HIS 40 Cb 0.84 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2ee8 h HIS 40 CO 0.04 0.02 -1.47 0.00 0.86 0.00 0.00 177.93 177.37 2ee8 h THR 41 N 0.30 0.97 -3.05 2.45 1.03 -1.67 -3.43 112.91 109.51 2ee8 h THR 41 Ca 0.29 -2.37 -0.74 0.00 -0.01 0.00 0.00 66.41 63.58 2ee8 h THR 41 Cb 0.40 2.65 -0.22 0.00 -1.07 0.00 0.00 68.15 69.90 2ee8 h THR 41 CO -0.35 0.70 -0.02 -1.81 -0.01 0.00 0.00 175.52 174.03 2ee8 s ASP 42 N -7.02 6.25 -0.23 0.00 1.01 0.97 -5.02 116.67 112.63 2ee8 s ASP 42 Ca -0.21 -1.73 0.01 0.00 0.71 0.00 0.00 52.55 51.33 2ee8 s ASP 42 Cb 0.05 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.76 2ee8 s ASP 42 CO 0.75 -0.95 -0.12 -1.61 0.21 0.00 0.00 175.17 173.45 2ee8 s GLU 43 N 1.97 2.68 -0.47 8.23 2.02 -1.23 -4.18 118.70 127.72 2ee8 s GLU 43 Ca 0.09 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.85 2ee8 s GLU 43 Cb -0.25 -2.83 0.06 0.00 0.10 0.00 0.00 34.13 31.22 2ee8 s GLU 43 CO 0.03 -0.40 0.44 1.03 0.02 0.00 0.00 175.26 176.38 2ee8 s ARG 44 N 1.24 3.01 0.18 1.61 3.00 -1.26 -4.92 118.95 121.81 2ee8 s ARG 44 Ca -0.02 -1.21 0.21 0.00 0.00 0.00 0.00 55.73 54.71 2ee8 s ARG 44 Cb -0.17 -4.11 0.87 0.00 0.00 0.00 0.00 34.95 31.54 2ee8 s ARG 44 CO -0.07 -1.04 1.63 -0.35 0.00 0.00 0.00 175.30 175.47 2ee8 n PRO 45 N 5.41 0.14 -1.38 3.54 -0.04 -1.26 -3.49 135.00 137.92 2ee8 n PRO 45 Ca -0.11 0.38 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 2ee8 n PRO 45 Cb 0.44 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 2ee8 n PRO 45 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ee8 n TYR 46 N -2.02 1.50 -3.15 0.54 4.02 -1.26 -4.92 117.16 111.88 2ee8 n TYR 46 Ca 0.02 -1.92 -0.41 0.00 -0.01 0.00 0.00 57.90 55.58 2ee8 n TYR 46 Cb 0.21 -1.33 -0.07 0.00 -0.02 0.00 0.00 39.34 38.13 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 -2.08 4.98 0.22 -0.72 2.01 -1.23 -4.01 115.64 114.82 2ee8 s THR 47 Ca 0.56 0.88 -0.31 0.00 0.31 0.00 0.00 61.69 63.13 2ee8 s THR 47 Cb 0.36 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 2ee8 s THR 47 CO -0.18 -0.07 1.49 0.00 -0.69 0.00 0.00 174.62 175.17 2ee8 n ASP 49 N 2.87 2.93 0.05 0.00 8.00 -1.26 -1.92 116.55 127.22 2ee8 n ASP 49 Ca 0.09 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.17 2ee8 n ASP 49 Cb 0.39 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 2ee8 n ASP 49 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ee8 n ILE 50 N 0.13 0.39 -0.02 0.53 5.41 -1.26 -4.88 119.36 119.65 2ee8 n ILE 50 Ca 0.14 0.13 0.03 0.00 1.00 0.00 0.00 62.75 64.05 2ee8 n ILE 50 Cb 0.71 -1.08 -0.14 0.00 -0.71 0.00 0.00 39.64 38.41 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 -2.54 -1.58 -3.76 0.00 -0.00 -0.81 -5.02 115.22 101.51 2ee8 n HIS 52 Ca -0.13 0.63 -0.26 0.00 0.46 0.00 0.00 57.72 58.42 2ee8 n HIS 52 Cb 0.79 -3.93 0.01 0.00 -0.12 0.00 0.00 29.99 26.73 2ee8 n HIS 52 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2ee8 s LYS 53 N -4.57 2.24 -0.11 1.57 1.02 -1.26 -4.89 119.74 113.74 2ee8 s LYS 53 Ca 0.12 -1.99 0.03 0.00 0.02 0.00 0.00 55.97 54.15 2ee8 s LYS 53 Cb -0.02 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2ee8 s LYS 53 CO 0.50 -0.70 -0.22 0.00 -0.92 0.00 0.00 175.35 174.01 2ee8 s ALA 54 N -2.78 2.23 0.26 5.17 0.00 -1.26 -3.75 121.76 121.63 2ee8 s ALA 54 Ca 0.38 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.42 2ee8 s ALA 54 Cb -0.03 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 2ee8 s ALA 54 CO 0.24 0.22 -0.10 -0.06 0.00 0.00 0.00 175.76 176.05 2ee8 s PHE 55 N 0.44 1.91 -0.20 0.00 0.40 -1.26 -5.08 117.98 114.20 2ee8 s PHE 55 Ca -0.16 -0.62 -0.18 0.00 -0.60 0.00 0.00 56.93 55.37 2ee8 s PHE 55 Cb -0.17 -1.00 -0.19 0.00 0.51 0.00 0.00 43.02 42.16 2ee8 s PHE 55 CO 0.06 0.35 0.17 -2.13 0.70 0.00 0.00 175.22 174.38 2ee8 n ARG 56 N -0.53 0.60 -4.26 0.44 0.63 -1.26 -4.80 116.66 107.48 2ee8 n ARG 56 Ca -0.06 0.50 -0.24 0.00 -0.92 0.00 0.00 57.85 57.13 2ee8 n ARG 56 Cb 0.62 -1.71 -0.07 0.00 0.45 0.00 0.00 32.46 31.75 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 -2.41 2.37 -0.04 -0.14 1.81 -1.26 -5.04 118.95 114.24 2ee8 s ARG 57 Ca -0.29 -1.31 -0.19 0.00 -1.72 0.00 0.00 55.73 52.22 2ee8 s ARG 57 Cb 0.07 -2.24 -0.32 0.00 -0.45 0.00 0.00 34.95 32.01 2ee8 s ARG 57 CO 0.61 0.39 0.85 -0.56 -0.68 0.00 0.00 175.30 175.90 2ee8 h GLN 58 N 2.05 0.36 -0.95 3.54 3.07 -1.98 -3.28 115.11 117.92 2ee8 h GLN 58 Ca -0.45 -0.61 0.28 0.00 0.09 0.00 0.00 58.65 57.96 2ee8 h GLN 58 Cb 1.24 0.23 -0.17 0.00 0.08 0.00 0.00 27.48 28.86 2ee8 h GLN 58 CO 0.60 1.29 0.17 -0.44 0.09 0.00 0.00 178.83 180.54 2ee8 h ASP 59 N -0.20 -0.20 -0.38 0.06 3.32 -2.00 0.85 116.42 117.87 2ee8 h ASP 59 Ca -0.21 0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 2ee8 h ASP 59 Cb 1.82 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 41.74 2ee8 h ASP 59 CO 0.17 -0.30 -0.29 0.45 -1.72 0.00 0.00 179.24 177.55 2ee8 h HIS 60 N 0.07 1.06 -0.70 4.55 3.86 -2.01 -3.05 115.15 118.94 2ee8 h HIS 60 Ca 0.62 -0.28 -0.06 0.00 -1.16 0.00 0.00 60.37 59.49 2ee8 h HIS 60 Cb 1.34 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 2ee8 h HIS 60 CO -0.35 1.08 0.21 1.25 0.86 0.00 0.00 177.93 180.99 2ee8 h LEU 61 N 0.77 1.00 0.51 2.43 5.85 0.50 0.28 115.31 126.65 2ee8 h LEU 61 Ca 0.09 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2ee8 h LEU 61 Cb 0.86 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2ee8 h LEU 61 CO 0.08 0.94 -0.40 -0.09 -0.34 0.00 0.00 178.44 178.62 2ee8 h ARG 62 N 1.03 -0.85 -0.23 1.25 2.43 -0.54 -2.51 114.38 114.95 2ee8 h ARG 62 Ca 0.23 0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 2ee8 h ARG 62 Cb 0.30 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2ee8 h ARG 62 CO -0.01 -0.57 -0.22 0.22 -1.51 0.00 0.00 179.97 177.88 2ee8 h ASP 63 N -0.88 0.42 -0.63 -3.80 1.82 -1.53 -3.08 116.42 108.73 2ee8 h ASP 63 Ca -0.07 -0.13 0.13 0.00 -0.39 0.00 0.00 57.03 56.57 2ee8 h ASP 63 Cb 0.74 -0.11 -0.12 0.00 0.68 0.00 0.00 39.33 40.52 2ee8 h ASP 63 CO 0.01 0.65 -0.12 -0.74 -1.61 0.00 0.00 179.24 177.43 2ee8 h HIS 64 N 0.38 -0.26 -1.10 0.28 2.76 -0.20 0.27 115.15 117.27 2ee8 h HIS 64 Ca 0.06 0.05 0.32 0.00 -2.20 0.00 0.00 60.37 58.60 2ee8 h HIS 64 Cb 0.60 0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.73 2ee8 h HIS 64 CO 0.02 -0.25 1.24 2.89 -1.30 0.00 0.00 177.93 180.53 2ee8 n ARG 65 N -5.39 0.01 -0.24 5.26 -4.01 -0.97 0.56 116.66 111.89 2ee8 n ARG 65 Ca 0.08 1.03 0.02 0.00 -1.04 0.00 0.00 57.85 57.94 2ee8 n ARG 65 Cb 0.34 -2.54 0.15 0.00 -3.04 0.00 0.00 32.46 27.36 2ee8 n ARG 65 CO 0.00 0.00 0.00 -0.92 -3.04 0.00 0.00 177.63 173.67 2ee8 h TYR 66 N 0.00 0.54 -0.67 2.89 3.20 -0.67 0.63 116.97 122.89 2ee8 h TYR 66 Ca 0.52 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.62 2ee8 h TYR 66 Cb 3.00 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 41.11 2ee8 h TYR 66 CO 0.00 0.15 0.81 -0.84 -1.64 0.00 0.00 178.16 176.63 2ee8 h ILE 67 N 0.51 0.17 0.11 1.81 3.07 -0.07 0.34 117.51 123.44 2ee8 h ILE 67 Ca 0.36 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.63 2ee8 h ILE 67 Cb 0.45 0.34 0.02 0.00 -0.27 0.00 0.00 36.82 37.36 2ee8 h ILE 67 CO -0.32 0.00 -0.62 0.45 -1.05 0.00 0.00 178.15 176.61 2ee8 h HIS 68 N 0.00 0.41 -3.41 0.16 3.86 -1.04 -3.44 115.15 111.70 2ee8 h HIS 68 Ca 0.32 -0.30 -0.60 0.00 -1.16 0.00 0.00 60.37 58.63 2ee8 h HIS 68 Cb 1.93 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 30.28 2ee8 h HIS 68 CO 0.00 1.24 0.26 0.45 0.86 0.00 0.00 177.93 180.74 2ee8 s SER 69 N -6.79 6.68 -0.02 2.45 0.15 0.12 -4.98 113.70 111.31 2ee8 s SER 69 Ca -0.15 0.83 -0.02 0.00 0.70 0.00 0.00 55.95 57.32 2ee8 s SER 69 Cb -0.00 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2ee8 s SER 69 CO 0.80 -0.41 0.16 0.50 1.20 0.00 0.00 173.24 175.48 2ee8 h LYS 70 N 7.78 -0.06 -3.21 5.44 1.63 -1.86 -3.46 116.57 122.85 2ee8 h LYS 70 Ca -0.26 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 2ee8 h LYS 70 Cb 1.11 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.72 2ee8 h LYS 70 CO 0.81 -0.04 0.16 -1.21 -3.45 0.00 0.00 179.45 175.72 2ee8 s GLU 71 N -1.54 1.98 -0.05 1.90 0.41 -1.26 -5.11 118.70 115.03 2ee8 s GLU 71 Ca -0.01 -1.32 -0.28 0.00 -0.41 0.00 0.00 54.97 52.95 2ee8 s GLU 71 Cb 0.00 0.58 -0.03 0.00 -1.78 0.00 0.00 34.13 32.91 2ee8 s GLU 71 CO 0.03 -0.90 0.91 0.21 -0.49 0.00 0.00 175.26 175.01 2ee8 s LYS 72 N -3.09 4.49 0.25 1.61 2.47 -1.26 -4.93 119.74 119.27 2ee8 s LYS 72 Ca 0.17 1.26 0.23 0.00 -1.56 0.00 0.00 55.97 56.07 2ee8 s LYS 72 Cb -0.04 -3.48 0.97 0.00 -1.46 0.00 0.00 37.83 33.81 2ee8 s LYS 72 CO 0.11 -0.10 1.70 -0.35 0.16 0.00 0.00 175.35 176.87 2ee8 n PRO 73 N 4.19 0.18 -3.45 4.03 -0.04 -1.26 -3.94 135.00 134.71 2ee8 n PRO 73 Ca 0.05 0.42 -0.27 0.00 -0.04 0.00 0.00 63.50 63.66 2ee8 n PRO 73 Cb 0.50 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.20 0.29 -4.49 0.54 3.72 -1.26 -5.11 117.46 108.95 2ee8 n PHE 74 Ca 0.02 -3.61 -0.30 0.00 -0.05 0.00 0.00 57.45 53.52 2ee8 n PHE 74 Cb 0.22 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.56 2ee8 n PHE 74 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2ee8 s LYS 75 N -0.65 1.91 0.71 -1.08 0.00 -1.25 -4.37 119.74 115.01 2ee8 s LYS 75 Ca 0.32 -1.09 -0.13 0.00 0.00 0.00 0.00 55.97 55.08 2ee8 s LYS 75 Cb 0.06 -2.14 0.03 0.00 0.00 0.00 0.00 37.83 35.77 2ee8 s LYS 75 CO -0.16 0.51 1.10 0.00 0.00 0.00 0.00 175.35 176.79 2ee8 n GLN 77 N -2.94 0.70 0.18 0.00 7.27 -1.26 -3.02 117.38 118.30 2ee8 n GLN 77 Ca 0.10 0.20 -0.07 0.00 0.07 0.00 0.00 57.00 57.29 2ee8 n GLN 77 Cb 0.52 -1.61 -0.03 0.00 2.41 0.00 0.00 30.24 31.53 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 0.03 -0.45 0.01 3.69 4.39 -1.99 -3.40 114.58 116.86 2ee8 h GLU 78 Ca -0.50 0.03 -0.41 0.00 0.34 0.00 0.00 59.36 58.82 2ee8 h GLU 78 Cb 1.98 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.67 2ee8 h GLU 78 CO 0.00 -0.30 -2.42 0.00 -1.16 0.00 0.00 179.01 175.13 2ee8 n GLY 80 N 1.79 0.06 3.99 0.00 0.00 -1.17 -4.98 105.19 104.89 2ee8 n GLY 80 Ca -0.48 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.87 1.28 -0.73 1.61 1.02 -1.26 -4.77 119.74 114.02 2ee8 s LYS 81 Ca 0.00 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.85 2ee8 s LYS 81 Cb 0.00 -2.23 0.41 0.00 -0.52 0.00 0.00 37.83 35.49 2ee8 s LYS 81 CO 0.00 -1.78 2.00 0.41 -0.92 0.00 0.00 175.35 175.06 2ee8 n GLY 82 N -3.09 5.75 3.53 -3.33 0.00 -1.26 -4.20 105.19 102.59 2ee8 n GLY 82 Ca 0.17 -2.40 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.75 0.33 -0.12 1.61 3.72 -1.26 -4.95 117.46 116.04 2ee8 n PHE 83 Ca 0.58 0.57 -0.21 0.00 -0.05 0.00 0.00 57.45 58.34 2ee8 n PHE 83 Cb 0.49 -2.10 -0.08 0.00 -0.94 0.00 0.00 39.48 36.85 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 -2.54 3.58 0.18 0.00 1.11 -1.26 -5.00 119.66 115.73 2ee8 s GLN 85 Ca -0.32 0.29 0.23 0.00 0.01 0.00 0.00 55.36 55.56 2ee8 s GLN 85 Cb 0.09 -2.35 0.03 0.00 -1.01 0.00 0.00 33.01 29.77 2ee8 s GLN 85 CO 0.47 -0.22 1.06 -1.13 0.01 0.00 0.00 175.29 175.48 2ee8 n SER 86 N -2.17 0.80 -0.03 5.90 3.41 -1.26 -3.57 113.62 116.69 2ee8 n SER 86 Ca 0.01 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2ee8 n SER 86 Cb 0.55 0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 2ee8 n SER 86 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2ee8 h ARG 87 N 0.00 0.13 -0.57 4.33 3.08 -2.01 -3.26 114.38 116.07 2ee8 h ARG 87 Ca 0.00 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2ee8 h ARG 87 Cb 0.96 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2ee8 h ARG 87 CO 0.00 0.73 0.01 1.15 -1.07 0.00 0.00 179.97 180.79 2ee8 h THR 88 N -0.45 1.26 -1.01 2.04 2.02 -2.00 -2.85 112.91 111.93 2ee8 h THR 88 Ca -0.00 -1.09 0.24 0.00 0.77 0.00 0.00 66.41 66.33 2ee8 h THR 88 Cb 0.74 0.81 -0.12 0.00 -1.74 0.00 0.00 68.15 67.84 2ee8 h THR 88 CO 0.02 0.39 0.60 0.25 0.37 0.00 0.00 175.52 177.16 2ee8 h LEU 89 N 0.89 0.69 0.45 2.58 5.85 -1.62 -1.35 115.31 122.80 2ee8 h LEU 89 Ca 0.17 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2ee8 h LEU 89 Cb 0.51 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2ee8 h LEU 89 CO 0.02 0.13 -0.22 0.00 -0.34 0.00 0.00 178.44 178.03 2ee8 h ALA 90 N 1.72 -0.62 -1.02 1.25 0.00 -1.55 -2.34 119.26 116.70 2ee8 h ALA 90 Ca 0.64 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.71 2ee8 h ALA 90 Cb 1.19 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2ee8 h ALA 90 CO -0.46 -0.58 1.01 0.28 0.00 0.00 0.00 179.25 179.50 2ee8 h VAL 91 N -1.13 0.14 0.00 0.00 2.07 -1.32 0.18 116.25 116.19 2ee8 h VAL 91 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2ee8 h VAL 91 Cb 0.46 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2ee8 h VAL 91 CO 0.10 0.00 -0.11 -0.74 0.02 0.00 0.00 177.57 176.84 2ee8 h HIS 92 N 0.00 0.00 -1.36 1.57 6.17 -1.22 -3.31 115.15 117.00 2ee8 h HIS 92 Ca 0.48 0.00 0.39 0.00 0.71 0.00 0.00 60.37 61.96 2ee8 h HIS 92 Cb 2.50 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 32.37 2ee8 h HIS 92 CO 0.00 0.76 1.21 1.63 0.71 0.00 0.00 177.93 182.24 2ee8 n LYS 93 N -4.64 0.01 0.04 5.26 4.76 0.61 0.21 118.16 124.42 2ee8 n LYS 93 Ca -0.09 0.96 -0.20 0.00 -2.87 0.00 0.00 58.31 56.11 2ee8 n LYS 93 Cb 0.37 -2.31 -0.14 0.00 -1.84 0.00 0.00 35.03 31.12 2ee8 n LYS 93 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2ee8 h THR 94 N 0.00 1.48 -0.85 -0.18 1.35 -1.62 -3.33 112.91 109.76 2ee8 h THR 94 Ca 0.64 -2.43 0.21 0.00 -0.55 0.00 0.00 66.41 64.28 2ee8 h THR 94 Cb 3.05 3.04 -0.15 0.00 -1.73 0.00 0.00 68.15 72.37 2ee8 h THR 94 CO -0.01 0.70 0.04 -0.07 -0.25 0.00 0.00 175.52 175.93 2ee8 h LEU 95 N -0.27 -0.34 -0.91 3.87 3.38 0.24 0.51 115.31 121.79 2ee8 h LEU 95 Ca -0.13 0.22 0.18 0.00 0.09 0.00 0.00 57.88 58.24 2ee8 h LEU 95 Cb 1.60 0.38 -0.17 0.00 0.09 0.00 0.00 40.66 42.55 2ee8 h LEU 95 CO 0.15 -0.23 -0.23 1.41 0.09 0.00 0.00 178.44 179.63 2ee8 n HIS 96 N -5.37 0.32 -3.58 1.13 8.25 -1.17 -4.15 115.22 110.65 2ee8 n HIS 96 Ca 0.18 1.11 -0.37 0.00 -0.26 0.00 0.00 57.72 58.37 2ee8 n HIS 96 Cb 0.59 -1.02 -0.06 0.00 1.12 0.00 0.00 29.99 30.62 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 -6.13 3.98 0.02 -0.41 0.23 0.17 -5.08 119.30 112.07 2ee8 s MET 97 Ca -0.14 0.19 -0.14 0.00 -1.03 0.00 0.00 55.69 54.58 2ee8 s MET 97 Cb 0.24 -3.30 0.02 0.00 -1.53 0.00 0.00 34.83 30.26 2ee8 s MET 97 CO 0.71 0.51 0.29 -0.65 -2.03 0.00 0.00 175.02 173.84 2ee8 s GLN 98 N -0.38 0.73 -0.16 3.16 -0.21 -1.26 -4.93 119.66 116.61 2ee8 s GLN 98 Ca 0.19 -0.39 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 2ee8 s GLN 98 Cb -0.14 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.17 2ee8 s GLN 98 CO 0.08 -0.22 -0.11 0.99 -2.12 0.00 0.00 175.29 173.91 2ee8 s THR 99 N -2.03 3.08 -0.03 -0.19 2.01 -1.26 -5.11 115.64 112.12 2ee8 s THR 99 Ca -0.09 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.35 2ee8 s THR 99 Cb -0.03 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 2ee8 s THR 99 CO -0.00 0.50 -0.24 -0.55 -0.69 0.00 0.00 174.62 173.64 2ee8 s SER 100 N 0.69 2.87 0.20 3.53 0.15 -1.26 -5.14 113.70 114.75 2ee8 s SER 100 Ca -0.05 -0.45 0.09 0.00 0.70 0.00 0.00 55.95 56.24 2ee8 s SER 100 Cb -0.15 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.68 2ee8 s SER 100 CO 0.02 0.28 -0.18 -0.44 1.20 0.00 0.00 173.24 174.12 2ee8 s SER 101 N -0.47 2.94 0.63 5.45 0.01 -1.26 -5.14 113.70 115.87 2ee8 s SER 101 Ca 0.06 -0.94 -0.16 0.00 1.31 0.00 0.00 55.95 56.22 2ee8 s SER 101 Cb -0.10 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2ee8 s SER 101 CO 0.00 -0.03 1.12 -2.16 0.41 0.00 0.00 173.24 172.57 2ee8 s PRO 102 N -3.15 2.93 -0.22 12.44 0.04 -1.26 -5.01 135.00 140.76 2ee8 s PRO 102 Ca 0.21 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 2ee8 s PRO 102 Cb -0.05 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2ee8 s PRO 102 CO 0.09 -1.16 -0.27 2.41 0.04 0.00 0.00 177.00 178.11 2ee8 n THR 103 N -2.15 1.51 -3.59 1.26 -1.04 -1.26 -5.08 114.28 103.93 2ee8 n THR 103 Ca 0.11 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2ee8 n THR 103 Cb 0.52 -2.11 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 2ee8 n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ee8 s ALA 104 N -2.65 -1.97 -0.09 2.41 0.00 -1.26 -5.16 121.76 113.04 2ee8 s ALA 104 Ca -0.32 1.65 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 2ee8 s ALA 104 Cb 0.09 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.36 2ee8 s ALA 104 CO 0.46 -0.29 0.04 0.00 0.00 0.00 0.00 175.76 175.97 2ee8 s ALA 105 N -1.07 0.52 0.00 0.00 0.00 -1.26 -5.32 121.76 114.63 2ee8 s ALA 105 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2ee8 s ALA 105 Cb -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2ee8 s ALA 105 CO -0.00 -0.68 0.00 0.43 0.00 0.00 0.00 175.76 175.51