#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 -5.96 -4.93 7.83 5.03 -1.26 -5.01 115.26 110.96 2a55 n ASN 1 Ca 0.00 1.28 -0.20 0.00 0.87 0.00 0.00 54.58 56.53 2a55 n ASN 1 Cb 0.00 -3.40 -0.00 0.00 -1.02 0.00 0.00 39.78 35.36 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2a55 s GLY 3 N -4.28 1.63 -0.12 0.00 0.00 -1.26 -3.91 107.32 99.37 2a55 s GLY 3 Ca 0.50 -0.74 -0.40 0.00 0.00 0.00 0.00 44.72 44.08 2a55 s GLY 3 CO 0.30 -0.29 1.45 -1.05 0.00 0.00 0.00 173.10 173.51 2a55 n PRO 4 N -3.14 0.77 -1.59 2.90 -0.02 -0.83 -4.77 135.00 128.31 2a55 n PRO 4 Ca 0.08 0.28 -0.57 0.00 -2.02 0.00 0.00 63.50 61.27 2a55 n PRO 4 Cb 0.61 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 3.41 0.62 -0.78 0.52 -0.02 -1.26 -4.94 135.00 132.55 2a55 n PRO 5 Ca 0.23 0.23 -0.30 0.00 -2.02 0.00 0.00 63.50 61.63 2a55 n PRO 5 Cb 0.12 -1.81 0.26 0.00 -0.02 0.00 0.00 33.50 32.04 2a55 n PRO 5 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2a55 s PRO 6 N 0.94 -1.74 -1.00 0.52 0.02 -1.26 -4.95 135.00 127.53 2a55 s PRO 6 Ca 0.91 0.12 -0.01 0.00 0.02 0.00 0.00 61.00 62.04 2a55 s PRO 6 Cb -1.14 -1.52 0.32 0.00 0.02 0.00 0.00 34.50 32.18 2a55 s PRO 6 CO 0.56 -4.09 1.71 2.41 -0.33 0.00 0.00 177.00 177.26 2a55 n THR 7 N -5.07 5.77 -1.64 0.99 -1.04 -1.26 -5.02 114.28 107.01 2a55 n THR 7 Ca 0.11 -5.95 -0.61 0.00 -2.04 0.00 0.00 64.05 55.57 2a55 n THR 7 Cb 0.59 -1.61 -0.09 0.00 -1.82 0.00 0.00 70.33 67.41 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 8 N 0.10 1.71 -0.07 -4.42 4.32 -1.26 -4.75 117.00 112.62 2a55 n LEU 8 Ca 0.43 1.01 0.00 0.00 -0.02 0.00 0.00 56.01 57.43 2a55 n LEU 8 Cb 0.28 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.06 2a55 n LEU 8 CO 0.53 -0.65 0.43 -1.54 -1.22 0.00 0.00 177.39 174.93 2a55 n SER 9 N 5.54 0.12 0.00 -1.43 3.41 -1.26 -2.54 113.62 117.47 2a55 n SER 9 Ca 0.33 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 2a55 n SER 9 Cb 0.04 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2a55 n PHE 10 N -0.43 0.00 -3.49 7.33 -1.74 -1.26 -4.77 117.46 113.10 2a55 n PHE 10 Ca 0.00 -0.08 -0.13 0.00 -0.56 0.00 0.00 57.45 56.69 2a55 n PHE 10 Cb 0.03 -0.01 -0.03 0.00 1.52 0.00 0.00 39.48 40.99 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 s ALA 11 N -0.15 -1.47 -0.02 1.98 0.00 -1.05 -4.65 121.76 116.40 2a55 s ALA 11 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2a55 s ALA 11 Cb 0.00 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2a55 s ALA 11 CO 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 175.76 174.91 2a55 s ALA 12 N -3.32 1.50 0.64 0.00 0.00 -0.33 -4.38 121.76 115.87 2a55 s ALA 12 Ca -0.01 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 2a55 s ALA 12 Cb -0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2a55 s ALA 12 CO -0.09 0.33 0.64 -2.30 0.00 0.00 0.00 175.76 174.34 2a55 n PRO 13 N 2.82 0.51 0.00 0.00 -0.02 -1.26 -0.23 135.00 136.83 2a55 n PRO 13 Ca -0.16 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2a55 n PRO 13 Cb 0.53 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N -0.58 0.17 -3.28 -0.52 1.56 -1.26 -4.66 117.12 108.55 2a55 n MET 14 Ca 0.12 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.48 2a55 n MET 14 Cb 0.48 -0.01 -0.04 0.00 2.15 0.00 0.00 33.22 35.80 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2a55 s ASP 15 N 0.00 -0.17 -0.31 6.12 -1.08 -1.26 -4.91 116.67 115.06 2a55 s ASP 15 Ca 0.00 -0.78 -0.08 0.00 -0.52 0.00 0.00 52.55 51.16 2a55 s ASP 15 Cb 0.00 1.30 0.19 0.00 -1.46 0.00 0.00 42.92 42.95 2a55 s ASP 15 CO 0.00 -0.27 0.99 -0.51 0.52 0.00 0.00 175.17 175.91 2a55 s ILE 16 N 2.05 -0.33 -0.45 4.11 2.07 -1.26 -3.55 121.20 123.84 2a55 s ILE 16 Ca 0.14 0.00 -0.34 0.00 -1.41 0.00 0.00 60.65 59.03 2a55 s ILE 16 Cb -0.11 -0.18 -0.13 0.00 0.13 0.00 0.00 42.46 42.17 2a55 s ILE 16 CO -0.15 0.00 2.27 0.35 -1.91 0.00 0.00 174.94 175.50 2a55 n THR 17 N 4.55 0.12 0.00 4.00 -2.24 -1.26 -4.91 114.28 114.54 2a55 n THR 17 Ca 0.08 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2a55 n THR 17 Cb 0.60 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2a55 n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2a55 n LEU 18 N 10.42 0.00 -0.66 3.22 7.99 -1.26 -4.50 117.00 132.22 2a55 n LEU 18 Ca 0.45 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 56.36 2a55 n LEU 18 Cb 0.22 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.49 2a55 n LEU 18 CO 0.78 0.00 -0.08 0.35 -1.51 0.00 0.00 177.39 176.93 2a55 n THR 19 N 0.00 0.00 -3.87 -5.08 -2.24 -1.26 -4.94 114.28 96.89 2a55 n THR 19 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 19 Cb 0.00 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 2a55 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a55 n GLU 20 N -1.33 1.72 0.00 -0.78 1.02 -1.26 -5.07 120.64 114.93 2a55 n GLU 20 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2a55 n GLU 20 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a55 n THR 21 N 0.00 0.00 -4.33 2.62 -2.24 -1.26 -5.02 114.28 104.05 2a55 n THR 21 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 21 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -0.47 1.25 -0.17 -0.78 0.52 -1.26 -1.97 118.95 116.08 2a55 s ARG 22 Ca 0.00 -1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 53.82 2a55 s ARG 22 Cb 0.00 -1.40 0.08 0.00 0.52 0.00 0.00 34.95 34.15 2a55 s ARG 22 CO 0.00 0.30 0.21 -0.06 0.02 0.00 0.00 175.30 175.77 2a55 s PHE 23 N -1.75 -0.27 1.06 -0.53 0.40 -1.25 -4.88 117.98 110.75 2a55 s PHE 23 Ca 0.13 0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 56.70 2a55 s PHE 23 Cb -0.07 -0.30 0.04 0.00 0.51 0.00 0.00 43.02 43.20 2a55 s PHE 23 CO 0.06 -0.49 -0.11 0.36 0.70 0.00 0.00 175.22 175.74 2a55 n LYS 24 N 5.32 -0.98 0.00 0.44 2.85 -1.26 -3.17 118.16 121.36 2a55 n LYS 24 Ca -0.05 -0.27 0.06 0.00 -1.05 0.00 0.00 58.31 57.00 2a55 n LYS 24 Cb 0.50 -1.62 0.31 0.00 -0.65 0.00 0.00 35.03 33.56 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -3.99 0.89 0.65 0.58 -2.24 -1.26 -1.49 114.28 107.42 2a55 n THR 25 Ca 0.02 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 2a55 n THR 25 Cb 0.61 -1.00 0.08 0.00 -2.10 0.00 0.00 70.33 67.93 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N -0.14 -1.25 3.70 3.38 0.00 -1.26 -4.18 105.19 105.44 2a55 n GLY 26 Ca 0.05 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -3.15 2.63 -0.27 2.61 -1.32 -0.56 -4.98 115.64 110.60 2a55 s THR 27 Ca 0.06 0.20 -0.11 0.00 -1.21 0.00 0.00 61.69 60.63 2a55 s THR 27 Cb 0.15 -2.47 0.11 0.00 -1.51 0.00 0.00 72.50 68.78 2a55 s THR 27 CO 0.77 -0.27 0.60 -0.89 -2.21 0.00 0.00 174.62 172.62 2a55 s THR 28 N -2.77 -0.65 0.60 5.08 2.01 -1.26 -3.93 115.64 114.71 2a55 s THR 28 Ca 0.64 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.70 2a55 s THR 28 Cb -0.20 -0.91 0.07 0.00 0.01 0.00 0.00 72.50 71.46 2a55 s THR 28 CO 0.58 0.02 0.83 -0.76 -0.69 0.00 0.00 174.62 174.59 2a55 s LEU 29 N 2.47 3.19 0.00 4.42 1.02 -0.48 -4.91 118.68 124.40 2a55 s LEU 29 Ca -0.06 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2a55 s LEU 29 Cb -0.10 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.64 2a55 s LEU 29 CO -0.18 -1.36 0.00 1.17 0.02 0.00 0.00 176.35 176.01 2a55 n LYS 30 N -2.45 0.00 -1.01 1.70 4.81 -1.23 -2.81 118.16 117.16 2a55 n LYS 30 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2a55 n LYS 30 Cb 0.60 -0.17 0.00 0.00 0.02 0.00 0.00 35.03 35.48 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a55 n TYR 31 N -1.96 -2.79 -4.37 5.64 4.02 -1.26 -3.50 117.16 112.94 2a55 n TYR 31 Ca 0.00 1.49 -0.25 0.00 -0.01 0.00 0.00 57.90 59.14 2a55 n TYR 31 Cb 0.00 -2.56 -0.13 0.00 -0.02 0.00 0.00 39.34 36.63 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2a55 s THR 32 N -3.73 1.73 -0.44 -0.72 -1.32 0.68 -4.79 115.64 107.05 2a55 s THR 32 Ca 0.00 -1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 58.79 2a55 s THR 32 Cb 0.00 -1.55 0.03 0.00 -1.51 0.00 0.00 72.50 69.46 2a55 s THR 32 CO 0.00 0.01 0.67 0.00 -2.21 0.00 0.00 174.62 173.08 2a55 n LEU 34 N 6.34 -2.20 0.00 0.00 4.77 -1.26 -4.83 117.00 119.82 2a55 n LEU 34 Ca -0.01 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 2a55 n LEU 34 Cb 0.48 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2a55 n LEU 34 CO 0.55 -3.69 0.07 -2.65 -1.33 0.00 0.00 177.39 170.34 2a55 n PRO 35 N 1.19 0.00 -0.26 3.23 -0.02 -1.26 -2.44 135.00 135.45 2a55 n PRO 35 Ca 0.14 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.71 2a55 n PRO 35 Cb 0.34 -0.26 0.06 0.00 -0.02 0.00 0.00 33.50 33.61 2a55 n PRO 35 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2a55 h GLY 36 N 0.00 1.00 0.00 -1.23 0.00 -1.96 -3.48 103.07 97.41 2a55 h GLY 36 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2a55 h GLY 36 CO 0.00 0.37 0.00 -1.72 0.00 0.00 0.00 176.54 175.19 2a55 n TYR 37 N -4.59 0.00 -4.58 5.60 4.02 -1.02 -4.89 117.16 111.70 2a55 n TYR 37 Ca 0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.62 2a55 n TYR 37 Cb 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.21 2a55 n TYR 37 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2a55 s VAL 38 N 0.00 3.60 0.18 -0.72 1.01 0.01 -4.78 120.40 119.70 2a55 s VAL 38 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2a55 s VAL 38 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2a55 s VAL 38 CO 0.00 0.54 0.00 -1.14 0.00 0.00 0.00 175.10 174.50 2a55 n ARG 39 N 3.09 -1.53 0.00 2.72 0.63 -1.26 -1.74 116.66 118.58 2a55 n ARG 39 Ca -0.18 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 2a55 n ARG 39 Cb 0.53 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2a55 n SER 40 N -4.39 0.00 -4.63 6.15 2.88 -1.26 -2.27 113.62 110.10 2a55 n SER 40 Ca 0.00 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.04 2a55 n SER 40 Cb 0.59 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2a55 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a55 n HIS 41 N -0.79 1.83 -0.12 0.66 1.44 -1.16 -3.14 115.22 113.95 2a55 n HIS 41 Ca 0.00 0.48 0.00 0.00 -2.01 0.00 0.00 57.72 56.19 2a55 n HIS 41 Cb 0.00 -2.42 0.00 0.00 0.12 0.00 0.00 29.99 27.69 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 n SER 42 N 3.30 0.00 0.00 4.39 2.88 -1.23 -4.88 113.62 118.08 2a55 n SER 42 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2a55 n SER 42 Cb 0.22 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -5.08 114.28 109.36 2a55 n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a55 n THR 43 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2a55 n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n GLN 44 N 0.00 0.00 -3.64 -2.82 10.64 -1.26 -4.71 117.38 115.59 2a55 n GLN 44 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 2a55 n GLN 44 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2a55 s THR 45 N 0.00 -0.01 0.17 -0.39 -4.23 -1.23 -4.60 115.64 105.36 2a55 s THR 45 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 2a55 s THR 45 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 2a55 s THR 45 CO 0.00 0.00 0.15 -0.76 -0.54 0.00 0.00 174.62 173.47 2a55 s LEU 46 N 1.62 3.85 -0.06 4.79 1.43 -1.12 -4.66 118.68 124.53 2a55 s LEU 46 Ca -0.10 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 2a55 s LEU 46 Cb -0.05 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.77 2a55 s LEU 46 CO -0.19 0.06 0.55 -0.89 0.23 0.00 0.00 176.35 176.11 2a55 s THR 47 N -1.77 0.02 -0.22 5.49 2.01 -1.23 -1.38 115.64 118.56 2a55 s THR 47 Ca 0.31 -0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.97 2a55 s THR 47 Cb -0.10 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2a55 s THR 47 CO 0.24 -0.08 0.60 0.00 -0.69 0.00 0.00 174.62 174.69 2a55 n ASN 49 N 5.26 1.86 -3.80 0.00 0.23 -1.25 -4.19 115.26 113.36 2a55 n ASN 49 Ca -0.02 -2.33 -0.42 0.00 -0.53 0.00 0.00 54.58 51.28 2a55 n ASN 49 Cb 0.50 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -2.36 5.96 0.00 0.53 2.88 -1.26 -3.90 113.62 115.47 2a55 n SER 50 Ca 0.12 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 2a55 n SER 50 Cb 0.50 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2a55 n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 2.85 0.00 -1.23 -3.46 -0.08 -1.26 -4.99 116.55 108.39 2a55 n ASP 51 Ca 0.42 -1.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.54 2a55 n ASP 51 Cb 0.33 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.72 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a55 n GLY 52 N 0.00 1.48 3.20 0.27 0.00 -1.25 -4.94 105.19 103.95 2a55 n GLY 52 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.30 0.91 -0.46 1.61 -1.05 -1.26 -4.63 118.70 110.52 2a55 s GLU 53 Ca 0.00 -1.18 -0.28 0.00 -0.15 0.00 0.00 54.97 53.36 2a55 s GLU 53 Cb 0.00 -0.67 0.03 0.00 -0.44 0.00 0.00 34.13 33.04 2a55 s GLU 53 CO 0.00 0.12 1.08 -1.58 0.95 0.00 0.00 175.26 175.82 2a55 s TRP 54 N -2.28 2.87 0.02 4.83 0.52 -1.26 -3.96 118.94 119.68 2a55 s TRP 54 Ca 0.06 0.67 -0.09 0.00 0.02 0.00 0.00 56.10 56.76 2a55 s TRP 54 Cb -0.04 -4.25 -0.05 0.00 -1.15 0.00 0.00 33.47 27.97 2a55 s TRP 54 CO 0.01 -1.18 0.33 0.08 0.02 0.00 0.00 176.95 176.20 2a55 s VAL 55 N 4.21 5.20 0.00 4.03 1.01 -1.19 -5.03 120.40 128.64 2a55 s VAL 55 Ca 0.45 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2a55 s VAL 55 Cb -0.08 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a55 s VAL 55 CO 0.29 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.78 2a55 n TYR 56 N 1.23 0.00 -3.21 5.22 0.18 -1.26 -3.52 117.16 115.80 2a55 n TYR 56 Ca -0.11 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.48 2a55 n TYR 56 Cb 0.53 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.43 -0.24 9.48 -0.87 -1.26 -5.09 114.94 122.38 2a55 s ASN 57 Ca 0.00 -0.55 -0.13 0.00 -1.57 0.00 0.00 52.86 50.61 2a55 s ASN 57 Cb 0.00 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.25 40.59 2a55 s ASN 57 CO 0.00 -0.74 0.26 -0.89 -2.57 0.00 0.00 177.10 173.15 2a55 s THR 58 N -2.40 5.28 -0.17 1.60 2.01 -1.26 -4.94 115.64 115.75 2a55 s THR 58 Ca 0.53 0.37 0.14 0.00 0.31 0.00 0.00 61.69 63.03 2a55 s THR 58 Cb -0.07 -3.59 0.43 0.00 0.01 0.00 0.00 72.50 69.27 2a55 s THR 58 CO 0.31 0.28 1.21 2.22 -0.69 0.00 0.00 174.62 177.94 2a55 n PHE 59 N 4.64 0.23 0.00 4.92 1.16 -1.25 -4.71 117.46 122.45 2a55 n PHE 59 Ca -0.12 -1.36 0.00 0.00 -1.87 0.00 0.00 57.45 54.10 2a55 n PHE 59 Cb 0.52 -0.24 0.00 0.00 -1.61 0.00 0.00 39.48 38.15 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ILE 61 N -0.81 -0.51 -0.05 0.00 -4.36 -0.71 -4.72 121.20 110.04 2a55 s ILE 61 Ca 0.00 0.07 -0.31 0.00 -0.26 0.00 0.00 60.65 60.15 2a55 s ILE 61 Cb 0.00 -0.65 -0.09 0.00 1.25 0.00 0.00 42.46 42.97 2a55 s ILE 61 CO 0.00 -0.03 2.00 0.00 0.24 0.00 0.00 174.94 177.15 2a55 n TYR 62 N 5.36 2.35 -3.16 1.37 4.19 -1.26 -0.81 117.16 125.20 2a55 n TYR 62 Ca -0.06 -0.23 0.03 0.00 3.31 0.00 0.00 57.90 60.96 2a55 n TYR 62 Cb 0.50 -2.75 -0.00 0.00 0.49 0.00 0.00 39.34 37.57 2a55 n TYR 62 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 2a55 s LYS 63 N 4.75 0.60 0.00 2.98 2.20 -1.26 -4.83 119.74 124.18 2a55 s LYS 63 Ca 0.93 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 2a55 s LYS 63 Cb -0.50 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 2a55 s LYS 63 CO 0.44 -1.06 0.00 2.89 -0.36 0.00 0.00 175.35 177.26 2a55 n ARG 64 N 5.18 3.53 -4.05 4.03 0.00 -1.26 -2.50 116.66 121.58 2a55 n ARG 64 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.82 2a55 n ARG 64 Cb 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.92 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 s ARG 66 N -4.01 3.15 0.21 0.00 6.06 -1.26 -4.90 118.95 118.21 2a55 s ARG 66 Ca 0.21 1.95 -0.32 0.00 -2.50 0.00 0.00 55.73 55.07 2a55 s ARG 66 Cb 0.05 -2.12 -0.14 0.00 0.06 0.00 0.00 34.95 32.81 2a55 s ARG 66 CO 0.01 -1.09 1.41 1.58 -2.50 0.00 0.00 175.30 174.71 2a55 n HIS 67 N -1.22 2.07 -0.02 5.12 -0.00 -1.26 -4.87 115.22 115.03 2a55 n HIS 67 Ca 0.12 0.44 0.09 0.00 -0.00 0.00 0.00 57.72 58.36 2a55 n HIS 67 Cb 0.48 -2.45 0.49 0.00 -0.00 0.00 0.00 29.99 28.51 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 4.43 0.41 0.00 1.57 0.13 -2.00 -3.49 132.00 133.04 2a55 h PRO 68 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a55 h PRO 68 Cb 1.28 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2a55 h PRO 68 CO 0.77 0.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 2a55 n GLY 69 N -1.51 -1.39 3.70 1.56 0.00 -1.26 -4.38 105.19 101.91 2a55 n GLY 69 Ca 0.06 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2a55 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a55 s GLU 70 N -0.81 4.44 -0.53 1.61 2.56 -1.26 -4.90 118.70 119.81 2a55 s GLU 70 Ca 0.00 1.11 -0.15 0.00 0.00 0.00 0.00 54.97 55.94 2a55 s GLU 70 Cb 0.00 -3.49 0.13 0.00 2.00 0.00 0.00 34.13 32.77 2a55 s GLU 70 CO 0.00 -0.08 0.47 -1.17 -0.56 0.00 0.00 175.26 173.92 2a55 s LEU 71 N 1.25 6.10 0.17 2.70 2.96 -1.26 -4.97 118.68 125.63 2a55 s LEU 71 Ca 0.43 -1.83 -0.32 0.00 -0.22 0.00 0.00 54.13 52.19 2a55 s LEU 71 Cb -0.19 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.23 2a55 s LEU 71 CO 0.20 -0.82 1.59 -0.60 -1.32 0.00 0.00 176.35 175.40 2a55 s ARG 72 N 1.52 4.20 -1.10 1.98 3.52 -1.26 -1.43 118.95 126.38 2a55 s ARG 72 Ca 0.04 2.40 -0.01 0.00 -0.13 0.00 0.00 55.73 58.02 2a55 s ARG 72 Cb -0.29 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 2a55 s ARG 72 CO 0.02 -0.63 0.93 0.09 -0.81 0.00 0.00 175.30 174.90 2a55 n ASN 73 N 3.97 -2.63 -3.56 -2.12 5.03 -1.26 -4.69 115.26 109.99 2a55 n ASN 73 Ca 0.14 -0.55 -0.02 0.00 0.87 0.00 0.00 54.58 55.02 2a55 n ASN 73 Cb 0.38 -4.66 0.00 0.00 -1.02 0.00 0.00 39.78 34.48 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2a55 s GLY 74 N -4.08 -0.09 -0.44 7.41 0.00 -0.51 -1.56 107.32 108.04 2a55 s GLY 74 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 44.72 44.85 2a55 s GLY 74 CO 0.66 1.61 0.51 -1.06 0.00 0.00 0.00 173.10 174.82 2a55 n GLN 75 N -0.62 0.42 -1.60 2.90 6.02 -0.63 -4.72 117.38 119.16 2a55 n GLN 75 Ca -0.04 -2.82 -0.57 0.00 -0.01 0.00 0.00 57.00 53.55 2a55 n GLN 75 Cb 0.60 -1.51 -0.08 0.00 1.02 0.00 0.00 30.24 30.27 2a55 n GLN 75 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2a55 n VAL 76 N 2.44 0.22 -1.58 5.09 3.14 -1.26 -4.04 118.33 122.35 2a55 n VAL 76 Ca 0.24 -0.09 -0.43 0.00 -2.96 0.00 0.00 64.34 61.09 2a55 n VAL 76 Cb 0.52 -1.17 -0.04 0.00 -1.06 0.00 0.00 33.84 32.09 2a55 n VAL 76 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2a55 n GLU 77 N 6.20 1.77 -3.79 1.45 4.07 0.19 -4.93 120.64 125.60 2a55 n GLU 77 Ca 0.34 0.46 -0.29 0.00 -0.06 0.00 0.00 57.16 57.61 2a55 n GLU 77 Cb 0.11 -3.16 -0.16 0.00 -0.06 0.00 0.00 31.44 28.18 2a55 n GLU 77 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2a55 s ILE 78 N 8.54 0.93 0.00 6.31 -1.09 -1.26 -4.49 121.20 130.14 2a55 s ILE 78 Ca 1.02 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2a55 s ILE 78 Cb -0.39 -1.46 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 2a55 s ILE 78 CO 0.36 -0.34 0.00 2.29 -1.23 0.00 0.00 174.94 176.03 2a55 n LYS 79 N 4.87 0.00 -0.17 2.79 0.00 -1.26 -4.81 118.16 119.58 2a55 n LYS 79 Ca -0.07 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.25 2a55 n LYS 79 Cb 0.45 -0.32 0.08 0.00 -0.00 0.00 0.00 35.03 35.24 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -2.00 0.50 -1.08 0.58 -2.24 -1.26 -4.81 114.28 103.98 2a55 n THR 80 Ca 0.00 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 2a55 n THR 80 Cb 0.04 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.10 -5.50 -3.24 3.42 9.92 -1.26 -3.00 116.55 116.98 2a55 n ASP 81 Ca 0.06 0.07 -0.11 0.00 -0.53 0.00 0.00 54.79 54.27 2a55 n ASP 81 Cb 0.39 -3.24 0.04 0.00 -0.64 0.00 0.00 41.12 37.67 2a55 n ASP 81 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a55 n LEU 82 N -0.31 -5.67 -4.73 0.64 -0.00 -1.26 -4.53 117.00 101.14 2a55 n LEU 82 Ca -0.03 -0.49 -0.40 0.00 -0.00 0.00 0.00 56.01 55.09 2a55 n LEU 82 Cb 0.45 -3.10 -0.05 0.00 -0.00 0.00 0.00 43.42 40.72 2a55 n LEU 82 CO 0.04 -0.35 0.50 -0.44 -0.00 0.00 0.00 177.39 177.14 2a55 s SER 83 N -3.22 7.21 0.34 1.45 0.01 -1.16 -2.13 113.70 116.20 2a55 s SER 83 Ca 0.25 1.45 -0.24 0.00 1.31 0.00 0.00 55.95 58.72 2a55 s SER 83 Cb -0.04 -2.48 -0.15 0.00 0.21 0.00 0.00 66.02 63.56 2a55 s SER 83 CO 0.76 -0.06 0.46 0.33 0.41 0.00 0.00 173.24 175.14 2a55 n PHE 84 N 3.20 -0.77 -0.58 2.43 -0.00 -1.04 -3.95 117.46 116.76 2a55 n PHE 84 Ca -0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.45 58.17 2a55 n PHE 84 Cb 0.50 -1.95 0.00 0.00 -0.00 0.00 0.00 39.48 38.04 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a55 n GLY 85 N 1.94 0.86 0.00 7.13 0.00 -1.26 -4.69 105.19 109.17 2a55 n GLY 85 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a55 n SER 86 N 0.20 0.00 0.00 1.61 3.41 -1.25 -5.10 113.62 112.49 2a55 n SER 86 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2a55 n SER 86 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2a55 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a55 n GLN 87 N 0.00 0.00 -3.82 4.33 -0.00 -1.25 -4.37 117.38 112.26 2a55 n GLN 87 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.71 2a55 n GLN 87 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 30.24 30.11 2a55 n GLN 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2a55 s ILE 88 N -2.00 2.17 0.22 -0.39 -4.36 -1.06 -4.90 121.20 110.87 2a55 s ILE 88 Ca 0.00 -3.34 -0.32 0.00 -0.26 0.00 0.00 60.65 56.73 2a55 s ILE 88 Cb 0.00 -2.48 -0.14 0.00 1.25 0.00 0.00 42.46 41.09 2a55 s ILE 88 CO 0.00 -0.92 1.41 -0.62 0.24 0.00 0.00 174.94 175.05 2a55 n GLU 89 N 2.87 1.95 -3.99 0.37 1.02 -1.26 -4.27 120.64 117.33 2a55 n GLU 89 Ca 0.12 0.70 -0.27 0.00 -0.02 0.00 0.00 57.16 57.69 2a55 n GLU 89 Cb 0.35 -2.36 -0.04 0.00 -0.02 0.00 0.00 31.44 29.37 2a55 n GLU 89 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a55 s PHE 90 N 0.09 3.37 -0.13 -0.32 0.40 -1.25 -0.64 117.98 119.50 2a55 s PHE 90 Ca 0.71 0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 2a55 s PHE 90 Cb -0.68 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.26 2a55 s PHE 90 CO 0.48 0.53 -0.03 -1.54 0.70 0.00 0.00 175.22 175.36 2a55 s SER 91 N -3.07 2.29 -0.23 1.36 1.04 -1.26 -4.92 113.70 108.92 2a55 s SER 91 Ca 0.33 -0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.08 2a55 s SER 91 Cb -0.11 -0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2a55 s SER 91 CO 0.27 -0.19 0.93 0.00 0.98 0.00 0.00 173.24 175.23 2a55 n SER 93 N 6.05 -2.69 -4.42 0.00 3.41 -0.60 -4.61 113.62 110.77 2a55 n SER 93 Ca 0.08 -0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.26 2a55 n SER 93 Cb 0.47 -0.82 0.03 0.00 -0.26 0.00 0.00 64.21 63.62 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.49 0.40 0.00 4.33 2.13 -1.26 -1.42 120.64 124.33 2a55 n GLU 94 Ca 0.00 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2a55 n GLU 94 Cb 0.66 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.84 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N 1.94 1.36 3.46 8.31 0.00 -1.26 -4.90 105.19 114.11 2a55 n GLY 95 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 3.04 0.40 1.61 0.08 -0.51 -0.79 117.98 121.80 2a55 s PHE 96 Ca 0.00 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.70 2a55 s PHE 96 Cb 0.00 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2a55 s PHE 96 CO 0.00 -0.17 0.56 -0.59 -0.10 0.00 0.00 175.22 174.91 2a55 s PHE 97 N 0.79 3.01 0.12 0.36 -0.71 0.21 -3.75 117.98 118.02 2a55 s PHE 97 Ca -0.00 -0.19 -0.19 0.00 -1.04 0.00 0.00 56.93 55.50 2a55 s PHE 97 Cb -0.14 -2.23 -0.07 0.00 -1.21 0.00 0.00 43.02 39.37 2a55 s PHE 97 CO 0.02 -0.26 0.61 -1.17 -1.34 0.00 0.00 175.22 173.08 2a55 s LEU 98 N -4.33 4.46 -0.28 -1.99 0.20 -1.26 -2.73 118.68 112.76 2a55 s LEU 98 Ca 0.50 1.29 -0.00 0.00 0.69 0.00 0.00 54.13 56.61 2a55 s LEU 98 Cb -0.10 -3.14 0.16 0.00 -0.43 0.00 0.00 46.19 42.69 2a55 s LEU 98 CO 0.33 0.19 0.48 -0.63 -0.29 0.00 0.00 176.35 176.43 2a55 s ILE 99 N -1.26 -0.79 0.00 6.68 1.01 -0.86 -4.95 121.20 121.03 2a55 s ILE 99 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2a55 s ILE 99 Cb -0.18 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.36 2a55 s ILE 99 CO 0.20 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2a55 n GLY 100 N 5.39 0.60 0.00 6.18 0.00 -1.26 -1.81 105.19 114.29 2a55 n GLY 100 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.97 113.62 111.88 2a55 n SER 101 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2a55 n SER 101 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 102 N 0.00 0.00 -3.79 2.46 -1.04 -1.26 -4.93 114.28 105.72 2a55 n THR 102 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2a55 n THR 102 Cb 0.00 -0.37 -0.09 0.00 -1.82 0.00 0.00 70.33 68.05 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2a55 s THR 103 N -1.99 0.06 -0.14 12.58 -4.23 -1.26 -3.90 115.64 116.76 2a55 s THR 103 Ca 0.00 -0.52 -0.03 0.00 -1.18 0.00 0.00 61.69 59.96 2a55 s THR 103 Cb 0.00 -0.57 0.05 0.00 1.34 0.00 0.00 72.50 73.32 2a55 s THR 103 CO 0.00 -0.28 0.06 -0.55 -0.54 0.00 0.00 174.62 173.30 2a55 s SER 104 N -1.31 2.21 0.24 3.99 0.15 -1.26 -4.95 113.70 112.77 2a55 s SER 104 Ca -0.14 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.01 2a55 s SER 104 Cb -0.06 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 2a55 s SER 104 CO 0.04 -0.30 0.45 -0.13 1.20 0.00 0.00 173.24 174.49 2a55 s ARG 105 N 2.05 3.54 -0.23 5.44 0.52 -1.26 -2.56 118.95 126.43 2a55 s ARG 105 Ca 0.02 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.91 2a55 s ARG 105 Cb -0.15 -2.77 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 2a55 s ARG 105 CO -0.07 0.32 -0.03 0.00 0.02 0.00 0.00 175.30 175.54 2a55 s GLU 107 N 1.46 2.68 -0.12 0.00 -6.30 -0.35 -4.47 118.70 111.60 2a55 s GLU 107 Ca 0.05 -1.36 -0.29 0.00 -2.50 0.00 0.00 54.97 50.87 2a55 s GLU 107 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 34.13 30.18 2a55 s GLU 107 CO -0.03 -0.89 1.21 0.08 0.02 0.00 0.00 175.26 175.65 2a55 s VAL 108 N 1.47 4.31 -0.32 3.70 1.01 -1.26 -1.06 120.40 128.25 2a55 s VAL 108 Ca 0.03 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.62 2a55 s VAL 108 Cb -0.22 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.20 2a55 s VAL 108 CO 0.03 -0.08 0.02 -1.10 0.00 0.00 0.00 175.10 173.97 2a55 s GLN 109 N 2.90 2.07 3.59 2.72 -0.21 -0.95 -4.83 119.66 124.96 2a55 s GLN 109 Ca 0.54 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 54.39 2a55 s GLN 109 Cb -0.22 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.61 2a55 s GLN 109 CO 0.17 -0.76 0.00 -0.25 -2.12 0.00 0.00 175.29 172.33 2a55 n ASP 110 N 4.48 -0.86 -0.55 5.90 9.92 -1.26 -2.07 116.55 132.10 2a55 n ASP 110 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2a55 n ASP 110 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a55 n ARG 111 N 0.00 0.75 -3.67 -1.24 1.74 -1.26 -4.52 116.66 108.46 2a55 n ARG 111 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2a55 n ARG 111 Cb 0.00 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 29.93 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2a55 s GLY 112 N -0.12 0.61 0.42 -0.13 0.00 -0.88 -5.12 107.32 102.10 2a55 s GLY 112 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 2a55 s GLY 112 CO 0.00 1.62 1.10 -0.62 0.00 0.00 0.00 173.10 175.20 2a55 n VAL 113 N 5.12 2.51 -3.50 1.40 0.31 -1.26 -2.23 118.33 120.69 2a55 n VAL 113 Ca -0.07 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.47 2a55 n VAL 113 Cb 0.46 -1.29 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -0.68 0.79 0.99 2.92 0.00 -0.23 -4.74 107.32 106.37 2a55 s GLY 114 Ca 0.63 -1.68 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 2a55 s GLY 114 CO 0.57 2.06 -0.13 0.79 0.00 0.00 0.00 173.10 176.39 2a55 n TRP 115 N 4.35 -2.63 -0.12 1.90 7.02 -1.26 -1.22 117.44 125.49 2a55 n TRP 115 Ca 0.07 0.16 -0.24 0.00 -1.02 0.00 0.00 57.50 56.47 2a55 n TRP 115 Cb 0.38 -1.63 -0.09 0.00 -2.42 0.00 0.00 31.31 27.56 2a55 n TRP 115 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2a55 n SER 116 N 0.42 1.77 -3.17 -0.99 7.64 -0.92 -4.62 113.62 113.75 2a55 n SER 116 Ca 0.03 0.23 0.04 0.00 1.01 0.00 0.00 58.87 60.18 2a55 n SER 116 Cb 0.57 -0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2a55 s HIS 117 N -2.44 -1.46 0.00 1.43 5.65 -1.26 -5.07 115.29 112.15 2a55 s HIS 117 Ca -0.33 1.58 0.00 0.00 0.25 0.00 0.00 55.06 56.57 2a55 s HIS 117 Cb 0.12 0.53 0.00 0.00 -1.18 0.00 0.00 32.58 32.05 2a55 s HIS 117 CO 0.43 -0.79 0.00 -0.35 -0.65 0.00 0.00 174.74 173.38 2a55 n PRO 118 N 5.43 2.89 0.00 2.88 -0.05 -1.26 -4.53 135.00 140.36 2a55 n PRO 118 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 2a55 n PRO 118 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.96 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2a55 n LEU 119 N 0.00 0.00 0.00 1.53 4.77 -1.26 -4.93 117.00 117.11 2a55 n LEU 119 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2a55 n LEU 119 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2a55 n LEU 119 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 2a55 n PRO 120 N 0.00 1.48 -3.87 3.23 -0.04 -1.26 -5.06 135.00 129.48 2a55 n PRO 120 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 2a55 n PRO 120 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N 0.14 3.22 -0.40 0.54 1.11 -0.75 -4.99 119.66 118.54 2a55 s GLN 121 Ca 0.00 -0.74 -0.14 0.00 0.01 0.00 0.00 55.36 54.50 2a55 s GLN 121 Cb 0.00 -3.11 0.02 0.00 -1.01 0.00 0.00 33.01 28.91 2a55 s GLN 121 CO 0.00 -0.29 0.27 0.00 0.01 0.00 0.00 175.29 175.28 2a55 s GLU 123 N 1.64 1.25 0.46 0.00 0.41 -1.10 -4.92 118.70 116.44 2a55 s GLU 123 Ca 0.04 -1.05 -0.22 0.00 -0.41 0.00 0.00 54.97 53.33 2a55 s GLU 123 Cb -0.19 -1.45 -0.08 0.00 -1.78 0.00 0.00 34.13 30.63 2a55 s GLU 123 CO 0.09 0.35 1.09 -1.50 -0.49 0.00 0.00 175.26 174.80 2a55 s ILE 124 N -0.98 3.48 -0.89 -1.63 2.07 -1.26 -0.62 121.20 121.38 2a55 s ILE 124 Ca 0.07 1.04 0.16 0.00 -1.41 0.00 0.00 60.65 60.51 2a55 s ILE 124 Cb -0.09 -3.49 0.15 0.00 0.13 0.00 0.00 42.46 39.15 2a55 s ILE 124 CO 0.03 -0.09 1.51 0.18 -1.91 0.00 0.00 174.94 174.67 2a55 n LEU 125 N -0.60 0.15 0.00 8.50 4.77 0.03 -4.75 117.00 125.10 2a55 n LEU 125 Ca 0.08 0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 56.38 2a55 n LEU 125 Cb 0.50 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2a55 n LEU 125 CO 0.44 -0.32 0.22 1.21 -1.33 0.00 0.00 177.39 177.60 2a55 n GLU 126 N -1.66 0.67 0.00 3.23 2.13 -1.26 -5.11 120.64 118.64 2a55 n GLU 126 Ca 0.03 -3.07 0.00 0.00 0.66 0.00 0.00 57.16 54.78 2a55 n GLU 126 Cb 0.18 0.04 0.00 0.00 0.27 0.00 0.00 31.44 31.93 2a55 n GLU 126 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2a55 n HIS 127 N -1.97 0.00 -3.64 4.31 -0.00 -1.26 -5.08 115.22 107.58 2a55 n HIS 127 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.78 2a55 n HIS 127 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.52 2a55 n HIS 127 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2a55 s HIS 128 N -0.12 -0.03 0.02 1.57 2.46 -1.26 -4.94 115.29 112.99 2a55 s HIS 128 Ca 0.00 0.05 0.03 0.00 0.47 0.00 0.00 55.06 55.61 2a55 s HIS 128 Cb 0.00 0.50 -0.02 0.00 -0.13 0.00 0.00 32.58 32.93 2a55 s HIS 128 CO 0.00 -0.02 -0.10 -1.58 -2.47 0.00 0.00 174.74 170.57 2a55 s HIS 129 N -0.96 0.86 0.43 3.88 5.04 -1.26 -5.16 115.29 118.13 2a55 s HIS 129 Ca 0.09 -0.30 -0.07 0.00 -1.54 0.00 0.00 55.06 53.24 2a55 s HIS 129 Cb -0.01 -0.52 0.11 0.00 0.04 0.00 0.00 32.58 32.19 2a55 s HIS 129 CO -0.09 -0.01 0.37 0.72 -2.34 0.00 0.00 174.74 173.39 2a55 n HIS 130 N 2.17 -3.21 -0.07 3.88 8.25 -1.26 -5.04 115.22 119.94 2a55 n HIS 130 Ca -0.17 -0.33 -0.07 0.00 -0.26 0.00 0.00 57.72 56.89 2a55 n HIS 130 Cb 0.56 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 2a55 n HIS 130 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2a55 n HIS 131 N -3.41 0.14 -1.07 4.41 -0.00 -1.26 -5.33 115.22 108.70 2a55 n HIS 131 Ca 0.05 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2a55 n HIS 131 Cb 0.20 -0.45 0.00 0.00 -0.12 0.00 0.00 29.99 29.62 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38