#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 s ASN 1 N 0.00 4.43 0.00 7.83 -0.87 -1.26 -4.74 114.94 120.32 2a55 s ASN 1 Ca 0.00 -1.28 0.27 0.00 -1.57 0.00 0.00 52.86 50.28 2a55 s ASN 1 Cb 0.00 0.09 0.93 0.00 -0.02 0.00 0.00 41.25 42.25 2a55 s ASN 1 CO 0.00 -0.82 1.68 0.00 -2.57 0.00 0.00 177.10 175.39 2a55 n GLY 3 N 1.35 1.49 3.58 0.00 0.00 -1.26 -4.08 105.19 106.27 2a55 n GLY 3 Ca 0.12 -1.74 -0.52 0.00 0.00 0.00 0.00 46.02 43.88 2a55 n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a55 n PRO 4 N 1.46 1.08 -1.59 1.61 -0.02 -1.17 -4.82 135.00 131.55 2a55 n PRO 4 Ca 0.00 0.39 -0.51 0.00 -2.02 0.00 0.00 63.50 61.36 2a55 n PRO 4 Cb 0.00 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 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 2.28 1.21 -1.74 0.52 -0.02 -1.26 -4.98 135.00 131.02 2a55 n PRO 5 Ca 0.18 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 2a55 n PRO 5 Cb 0.20 -2.04 0.20 0.00 -0.02 0.00 0.00 33.50 31.84 2a55 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a55 s PRO 6 N 0.21 0.12 -0.93 0.52 0.04 -1.26 -5.00 135.00 128.69 2a55 s PRO 6 Ca 0.80 -0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.47 2a55 s PRO 6 Cb -0.90 -1.78 0.31 0.00 0.04 0.00 0.00 34.50 32.16 2a55 s PRO 6 CO 0.48 -2.77 1.44 2.41 0.04 0.00 0.00 177.00 178.60 2a55 n THR 7 N -4.03 4.92 0.00 1.26 -1.04 -1.26 -5.05 114.28 109.08 2a55 n THR 7 Ca 0.15 -5.82 0.00 0.00 -2.04 0.00 0.00 64.05 56.35 2a55 n THR 7 Cb 0.59 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 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 0.54 0.00 0.00 -4.42 4.32 -1.26 -5.01 117.00 111.16 2a55 n LEU 8 Ca 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 2a55 n LEU 8 Cb 0.32 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2a55 n LEU 8 CO 0.56 -0.88 -0.17 -0.24 -1.22 0.00 0.00 177.39 175.45 2a55 n SER 9 N -0.70 1.05 0.25 -1.43 2.88 -1.26 -4.75 113.62 109.65 2a55 n SER 9 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2a55 n SER 9 Cb 0.00 0.00 0.85 0.00 -0.75 0.00 0.00 64.21 64.31 2a55 n SER 9 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2a55 h PHE 10 N 0.00 0.00 -3.52 0.66 -1.00 -1.93 -3.44 116.94 107.70 2a55 h PHE 10 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2a55 h PHE 10 Cb 0.33 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.77 2a55 h PHE 10 CO 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 178.31 176.56 2a55 s ALA 11 N -3.78 -0.66 0.28 2.45 0.00 -1.26 -4.17 121.76 114.62 2a55 s ALA 11 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.67 2a55 s ALA 11 Cb 0.10 0.73 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 2a55 s ALA 11 CO 0.35 -0.66 -0.03 0.00 0.00 0.00 0.00 175.76 175.42 2a55 s ALA 12 N -3.86 2.23 0.34 0.00 0.00 0.10 -4.48 121.76 116.09 2a55 s ALA 12 Ca 0.07 -1.90 -0.28 0.00 0.00 0.00 0.00 51.96 49.86 2a55 s ALA 12 Cb 0.02 0.31 -0.10 0.00 0.00 0.00 0.00 23.12 23.36 2a55 s ALA 12 CO -0.07 -0.14 1.26 -1.25 0.00 0.00 0.00 175.76 175.55 2a55 s PRO 13 N -3.78 4.30 0.00 0.00 0.04 -1.26 -1.40 135.00 132.90 2a55 s PRO 13 Ca 0.30 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2a55 s PRO 13 Cb 0.05 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2a55 s PRO 13 CO 0.12 -0.19 0.00 -0.12 0.04 0.00 0.00 177.00 176.84 2a55 n MET 14 N 0.66 0.08 -3.00 4.56 1.56 -1.26 -4.79 117.12 114.94 2a55 n MET 14 Ca 0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.42 2a55 n MET 14 Cb 0.43 -0.01 -0.00 0.00 2.15 0.00 0.00 33.22 35.79 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 -1.48 -0.30 6.12 -1.08 -1.26 -4.90 116.67 113.77 2a55 s ASP 15 Ca 0.00 -1.23 -0.15 0.00 -0.52 0.00 0.00 52.55 50.64 2a55 s ASP 15 Cb 0.00 1.93 0.18 0.00 -1.46 0.00 0.00 42.92 43.57 2a55 s ASP 15 CO 0.00 -0.11 1.17 -0.51 0.52 0.00 0.00 175.17 176.23 2a55 s ILE 16 N 1.39 -0.05 -0.14 4.11 2.07 -1.26 -4.00 121.20 123.33 2a55 s ILE 16 Ca 0.23 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 59.15 2a55 s ILE 16 Cb -0.02 -0.04 -0.09 0.00 0.13 0.00 0.00 42.46 42.44 2a55 s ILE 16 CO -0.06 0.00 2.05 0.35 -1.91 0.00 0.00 174.94 175.37 2a55 n THR 17 N 4.74 0.50 0.55 4.00 -2.24 -1.26 -4.79 114.28 115.78 2a55 n THR 17 Ca 0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2a55 n THR 17 Cb 0.60 -2.14 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 8.82 2.85 -0.35 3.22 7.99 -1.26 -3.84 117.00 134.42 2a55 n LEU 18 Ca 0.27 -1.38 0.09 0.00 -0.01 0.00 0.00 56.01 54.99 2a55 n LEU 18 Cb 0.35 -0.52 0.41 0.00 -0.11 0.00 0.00 43.42 43.56 2a55 n LEU 18 CO 0.70 0.50 0.78 0.35 -1.51 0.00 0.00 177.39 178.21 2a55 n THR 19 N 0.81 0.14 -4.07 -5.08 -2.24 -1.26 -4.87 114.28 97.71 2a55 n THR 19 Ca 0.00 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.52 2a55 n THR 19 Cb 0.41 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.08 0.46 0.00 -0.78 1.02 -1.25 -5.07 120.64 114.93 2a55 n GLU 20 Ca 0.15 -0.59 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 2a55 n GLU 20 Cb 0.22 0.40 0.00 0.00 -0.02 0.00 0.00 31.44 32.05 2a55 n GLU 20 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2a55 n THR 21 N -0.13 0.00 -4.28 2.62 -1.04 -1.26 -5.06 114.28 105.13 2a55 n THR 21 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 2a55 n THR 21 Cb 0.11 0.84 -0.12 0.00 -1.82 0.00 0.00 70.33 69.34 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N 0.00 1.11 -0.18 -2.82 0.52 -1.26 -3.03 118.95 113.28 2a55 s ARG 22 Ca 0.00 -1.17 -0.04 0.00 -0.52 0.00 0.00 55.73 54.00 2a55 s ARG 22 Cb 0.00 -1.32 0.08 0.00 0.52 0.00 0.00 34.95 34.23 2a55 s ARG 22 CO 0.00 0.30 0.20 -0.06 0.02 0.00 0.00 175.30 175.76 2a55 s PHE 23 N -1.29 -0.22 1.07 -0.53 0.40 -1.26 -5.08 117.98 111.06 2a55 s PHE 23 Ca 0.07 0.25 -0.22 0.00 -0.60 0.00 0.00 56.93 56.43 2a55 s PHE 23 Cb -0.09 -0.37 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 2a55 s PHE 23 CO 0.04 -0.54 -0.56 1.63 0.70 0.00 0.00 175.22 176.49 2a55 n LYS 24 N 5.32 -0.91 0.02 0.44 5.02 -1.26 -4.25 118.16 122.53 2a55 n LYS 24 Ca -0.06 -0.25 0.06 0.00 -2.02 0.00 0.00 58.31 56.04 2a55 n LYS 24 Cb 0.50 -1.43 0.26 0.00 -0.02 0.00 0.00 35.03 34.33 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2a55 n THR 25 N -3.98 1.21 0.50 -0.18 -2.24 -1.26 -1.59 114.28 106.74 2a55 n THR 25 Ca -0.00 0.32 0.11 0.00 -2.27 0.00 0.00 64.05 62.21 2a55 n THR 25 Cb 0.66 -1.15 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 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 -0.38 -1.26 3.58 3.38 0.00 -1.26 -3.90 105.19 105.35 2a55 n GLY 26 Ca 0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.22 2.12 -0.29 2.61 -1.32 -0.62 -4.93 115.64 109.99 2a55 s THR 27 Ca 0.03 0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.41 2a55 s THR 27 Cb 0.14 -2.15 0.14 0.00 -1.51 0.00 0.00 72.50 69.11 2a55 s THR 27 CO 0.79 -0.05 0.83 -0.89 -2.21 0.00 0.00 174.62 173.09 2a55 s THR 28 N -2.59 -0.49 0.40 5.08 2.01 -1.25 -3.76 115.64 115.05 2a55 s THR 28 Ca 0.67 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 2a55 s THR 28 Cb -0.23 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 2a55 s THR 28 CO 0.61 0.00 0.66 -0.76 -0.69 0.00 0.00 174.62 174.44 2a55 s LEU 29 N 2.26 3.85 0.00 4.42 1.02 -0.67 -4.91 118.68 124.64 2a55 s LEU 29 Ca -0.06 0.69 0.00 0.00 0.02 0.00 0.00 54.13 54.78 2a55 s LEU 29 Cb -0.07 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.55 2a55 s LEU 29 CO -0.18 -0.41 0.00 1.17 0.02 0.00 0.00 176.35 176.95 2a55 n LYS 30 N -1.93 0.00 -0.97 1.70 0.00 -1.26 -3.67 118.16 112.04 2a55 n LYS 30 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.40 2a55 n LYS 30 Cb 0.56 -0.48 0.00 0.00 0.00 0.00 0.00 35.03 35.11 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a55 n TYR 31 N -1.52 -2.67 -4.43 5.64 4.02 -1.25 -4.82 117.16 112.13 2a55 n TYR 31 Ca 0.00 1.43 -0.22 0.00 -0.01 0.00 0.00 57.90 59.10 2a55 n TYR 31 Cb 0.00 -2.50 -0.10 0.00 -0.02 0.00 0.00 39.34 36.72 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 -3.45 2.23 -0.13 -0.72 -1.32 -0.49 -4.84 115.64 106.92 2a55 s THR 32 Ca 0.00 -2.34 -0.05 0.00 -1.21 0.00 0.00 61.69 58.09 2a55 s THR 32 Cb 0.00 -2.21 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 2a55 s THR 32 CO 0.00 -0.46 0.06 0.00 -2.21 0.00 0.00 174.62 172.01 2a55 n LEU 34 N 2.54 1.21 0.00 0.00 4.77 -1.26 -4.79 117.00 119.47 2a55 n LEU 34 Ca -0.18 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2a55 n LEU 34 Cb 0.54 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2a55 n LEU 34 CO 0.31 -3.03 0.22 -2.65 -1.33 0.00 0.00 177.39 170.92 2a55 n PRO 35 N -2.25 0.00 0.29 3.23 -0.02 -1.26 -0.41 135.00 134.59 2a55 n PRO 35 Ca 0.09 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 62.20 2a55 n PRO 35 Cb 0.52 -0.83 0.98 0.00 -0.02 0.00 0.00 33.50 34.16 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 0.00 -7.18 -1.23 0.00 -1.91 -3.38 103.07 89.37 2a55 h GLY 36 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2a55 h GLY 36 CO 0.00 0.00 0.07 -0.19 0.00 0.00 0.00 176.54 176.42 2a55 s TYR 37 N -4.42 1.21 0.43 5.60 2.02 0.45 -2.67 117.35 119.98 2a55 s TYR 37 Ca -0.05 2.19 -0.21 0.00 -0.37 0.00 0.00 57.07 58.63 2a55 s TYR 37 Cb 0.14 -3.37 -0.10 0.00 -0.40 0.00 0.00 41.96 38.22 2a55 s TYR 37 CO 0.47 -0.94 0.97 0.08 -1.57 0.00 0.00 175.55 174.56 2a55 s VAL 38 N 16.28 4.25 -0.03 0.71 1.01 -1.26 -4.56 120.40 136.79 2a55 s VAL 38 Ca 0.84 1.45 0.03 0.00 0.00 0.00 0.00 61.98 64.31 2a55 s VAL 38 Cb -0.07 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a55 s VAL 38 CO 0.15 -0.25 -0.13 0.00 0.00 0.00 0.00 175.10 174.87 2a55 s ARG 39 N -3.05 1.33 -0.16 2.72 1.70 -1.26 0.12 118.95 120.34 2a55 s ARG 39 Ca 0.62 -0.45 -0.01 0.00 -0.47 0.00 0.00 55.73 55.41 2a55 s ARG 39 Cb -0.12 -1.20 -0.10 0.00 -0.57 0.00 0.00 34.95 32.97 2a55 s ARG 39 CO 0.16 0.19 -0.16 0.45 -1.08 0.00 0.00 175.30 174.85 2a55 n SER 40 N 3.18 2.39 -0.82 -2.89 2.88 -1.26 -4.98 113.62 112.13 2a55 n SER 40 Ca -0.18 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2a55 n SER 40 Cb 0.54 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2a55 n SER 40 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2a55 n HIS 41 N -3.16 -0.10 -0.43 0.66 -0.00 -1.26 -4.98 115.22 105.96 2a55 n HIS 41 Ca -0.30 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.88 2a55 n HIS 41 Cb 0.79 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.66 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2a55 n SER 42 N -0.10 0.00 -4.55 0.26 7.64 -1.26 -4.60 113.62 111.01 2a55 n SER 42 Ca 0.00 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.30 2a55 n SER 42 Cb 0.00 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 61.78 2a55 n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 43 N -2.00 0.01 -2.02 0.44 -2.24 -1.26 -4.52 114.28 102.70 2a55 n THR 43 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 43 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2a55 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a55 n GLN 44 N 2.12 2.19 -1.82 -0.78 1.13 -1.26 -4.95 117.38 114.02 2a55 n GLN 44 Ca 0.21 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.24 2a55 n GLN 44 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.45 2a55 n GLN 44 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2a55 n THR 45 N 0.00 0.00 -3.72 5.09 -2.24 -1.26 -4.96 114.28 107.18 2a55 n THR 45 Ca 0.00 -0.29 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 2a55 n THR 45 Cb 0.00 0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 46 N 0.00 5.33 -0.07 3.22 1.43 -1.24 -4.61 118.68 122.73 2a55 s LEU 46 Ca 0.05 -2.31 0.00 0.00 -1.03 0.00 0.00 54.13 50.84 2a55 s LEU 46 Cb -0.01 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2a55 s LEU 46 CO 0.03 -0.50 -0.06 -0.89 0.23 0.00 0.00 176.35 175.16 2a55 s THR 47 N 0.74 3.80 -0.11 5.49 2.01 -1.26 -1.68 115.64 124.63 2a55 s THR 47 Ca 0.11 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 2a55 s THR 47 Cb -0.22 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2a55 s THR 47 CO -0.04 0.60 1.47 0.00 -0.69 0.00 0.00 174.62 175.96 2a55 s ASN 49 N 2.72 5.41 -1.43 0.00 2.20 -1.22 -4.17 114.94 118.45 2a55 s ASN 49 Ca 0.64 -0.61 -0.10 0.00 -0.94 0.00 0.00 52.86 51.86 2a55 s ASN 49 Cb -0.28 -0.23 0.05 0.00 -2.00 0.00 0.00 41.25 38.79 2a55 s ASN 49 CO 0.22 -1.02 2.39 -0.24 -2.94 0.00 0.00 177.10 175.51 2a55 n SER 50 N -2.03 6.49 0.00 3.54 2.88 -1.26 -3.32 113.62 119.92 2a55 n SER 50 Ca 0.11 -2.90 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 2a55 n SER 50 Cb 0.60 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 3.87 0.00 -1.06 -3.46 9.92 -1.26 -5.00 116.55 119.56 2a55 n ASP 51 Ca 0.59 -0.95 -0.14 0.00 -0.53 0.00 0.00 54.79 53.76 2a55 n ASP 51 Cb 0.31 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.73 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.42 3.30 0.44 0.00 -1.21 -4.96 105.19 104.17 2a55 n GLY 52 Ca 0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.11 1.49 -0.33 1.61 -1.05 -1.26 -4.36 118.70 111.69 2a55 s GLU 53 Ca 0.00 -1.83 -0.14 0.00 -0.15 0.00 0.00 54.97 52.85 2a55 s GLU 53 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 34.13 33.67 2a55 s GLU 53 CO 0.00 -0.43 0.30 -1.58 0.95 0.00 0.00 175.26 174.50 2a55 s TRP 54 N -3.74 3.22 0.03 4.83 0.52 -1.26 -3.40 118.94 119.13 2a55 s TRP 54 Ca 0.37 -0.06 -0.07 0.00 0.02 0.00 0.00 56.10 56.36 2a55 s TRP 54 Cb 0.06 -2.56 -0.05 0.00 -1.15 0.00 0.00 33.47 29.77 2a55 s TRP 54 CO 0.17 -0.37 0.29 0.08 0.02 0.00 0.00 176.95 177.14 2a55 s VAL 55 N 1.88 5.26 0.00 4.03 1.01 -1.25 -5.02 120.40 126.31 2a55 s VAL 55 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2a55 s VAL 55 Cb -0.17 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2a55 s VAL 55 CO 0.11 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.54 2a55 n TYR 56 N 0.99 0.00 -3.95 5.22 4.11 -1.26 -4.21 117.16 118.05 2a55 n TYR 56 Ca -0.10 0.00 -0.27 0.00 -0.00 0.00 0.00 57.90 57.53 2a55 n TYR 56 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.85 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2a55 s ASN 57 N 0.00 4.59 -0.89 9.48 -0.87 -1.26 -5.06 114.94 120.93 2a55 s ASN 57 Ca 0.00 -1.28 -0.21 0.00 -1.57 0.00 0.00 52.86 49.81 2a55 s ASN 57 Cb 0.00 0.42 0.10 0.00 -0.02 0.00 0.00 41.25 41.75 2a55 s ASN 57 CO 0.00 -1.08 1.18 -0.89 -2.57 0.00 0.00 177.10 173.74 2a55 s THR 58 N -2.78 4.43 0.06 1.60 2.01 -1.26 -4.61 115.64 115.08 2a55 s THR 58 Ca 0.32 -1.09 -0.36 0.00 0.31 0.00 0.00 61.69 60.87 2a55 s THR 58 Cb -0.02 -4.83 -0.20 0.00 0.01 0.00 0.00 72.50 67.46 2a55 s THR 58 CO 0.20 -1.61 1.55 2.19 -0.69 0.00 0.00 174.62 176.26 2a55 h PHE 59 N 9.24 -1.12 -3.64 4.92 -0.00 -1.81 -3.40 116.94 121.13 2a55 h PHE 59 Ca 0.07 -0.03 -0.69 0.00 -0.00 0.00 0.00 57.97 57.33 2a55 h PHE 59 Cb 1.03 0.37 -0.22 0.00 -0.00 0.00 0.00 35.95 37.13 2a55 h PHE 59 CO 1.16 -0.70 -0.52 0.00 -0.00 0.00 0.00 178.31 178.25 2a55 h ILE 61 N 5.69 0.00 -4.27 0.00 3.07 0.65 -3.45 117.51 119.20 2a55 h ILE 61 Ca -0.30 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.41 2a55 h ILE 61 Cb 1.13 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2a55 h ILE 61 CO 0.64 0.00 -0.89 0.00 -1.05 0.00 0.00 178.15 176.85 2a55 n TYR 62 N -2.69 -4.54 -3.54 0.16 4.19 -0.40 -4.83 117.16 105.51 2a55 n TYR 62 Ca 0.04 2.72 0.00 0.00 3.31 0.00 0.00 57.90 63.97 2a55 n TYR 62 Cb 0.45 -3.63 -0.04 0.00 0.49 0.00 0.00 39.34 36.61 2a55 n TYR 62 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2a55 s LYS 63 N -0.79 0.47 0.46 2.98 -2.85 -1.09 -4.75 119.74 114.18 2a55 s LYS 63 Ca 0.00 1.18 0.03 0.00 -1.00 0.00 0.00 55.97 56.18 2a55 s LYS 63 Cb 0.00 0.71 -0.03 0.00 -2.06 0.00 0.00 37.83 36.45 2a55 s LYS 63 CO 0.00 -0.18 0.05 -0.98 0.10 0.00 0.00 175.35 174.34 2a55 s ARG 64 N 2.74 2.06 -0.13 1.78 1.70 -1.26 -2.03 118.95 123.81 2a55 s ARG 64 Ca -0.04 -2.28 0.00 0.00 -0.47 0.00 0.00 55.73 52.94 2a55 s ARG 64 Cb -0.10 -1.21 -0.01 0.00 -0.57 0.00 0.00 34.95 33.06 2a55 s ARG 64 CO -0.18 -0.36 -0.14 0.00 -1.08 0.00 0.00 175.30 173.54 2a55 n ARG 66 N 3.53 1.98 -1.82 0.00 3.00 -1.26 -4.75 116.66 117.34 2a55 n ARG 66 Ca -0.18 0.70 -0.42 0.00 -0.00 0.00 0.00 57.85 57.95 2a55 n ARG 66 Cb 0.53 -2.26 -0.03 0.00 0.00 0.00 0.00 32.46 30.69 2a55 n ARG 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2a55 s HIS 67 N -0.85 2.06 0.32 -0.14 5.65 -1.26 -4.83 115.29 116.23 2a55 s HIS 67 Ca 0.59 0.04 0.27 0.00 0.25 0.00 0.00 55.06 56.21 2a55 s HIS 67 Cb -0.61 -4.08 1.46 0.00 -1.18 0.00 0.00 32.58 28.17 2a55 s HIS 67 CO 0.59 -4.52 1.80 -1.00 -0.65 0.00 0.00 174.74 170.96 2a55 h PRO 68 N 9.00 0.00 0.00 2.88 0.13 -1.97 -3.47 132.00 138.56 2a55 h PRO 68 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2a55 h PRO 68 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2a55 h PRO 68 CO 0.94 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 2a55 n GLY 69 N -1.22 -1.39 3.73 1.56 0.00 -1.26 -4.70 105.19 101.91 2a55 n GLY 69 Ca -0.02 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 4.72 -0.53 1.61 2.56 -1.26 -4.90 118.70 120.91 2a55 s GLU 70 Ca 0.00 1.45 -0.11 0.00 0.00 0.00 0.00 54.97 56.31 2a55 s GLU 70 Cb 0.00 -3.36 0.13 0.00 2.00 0.00 0.00 34.13 32.91 2a55 s GLU 70 CO 0.00 0.28 0.42 -1.17 -0.56 0.00 0.00 175.26 174.24 2a55 s LEU 71 N -0.26 5.88 0.04 2.70 2.96 -1.26 -4.94 118.68 123.80 2a55 s LEU 71 Ca 0.45 -2.00 -0.32 0.00 -0.22 0.00 0.00 54.13 52.04 2a55 s LEU 71 Cb -0.24 -2.07 -0.11 0.00 0.50 0.00 0.00 46.19 44.28 2a55 s LEU 71 CO 0.30 -0.71 1.86 -1.14 -1.32 0.00 0.00 176.35 175.35 2a55 n ARG 72 N 4.83 2.55 -3.18 1.98 0.63 -1.26 -0.53 116.66 121.68 2a55 n ARG 72 Ca -0.07 0.93 -0.14 0.00 -0.92 0.00 0.00 57.85 57.65 2a55 n ARG 72 Cb 0.41 -2.81 0.07 0.00 0.45 0.00 0.00 32.46 30.58 2a55 n ARG 72 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2a55 n ASN 73 N 6.22 -2.50 -3.53 6.15 3.02 -1.26 -4.72 115.26 118.65 2a55 n ASN 73 Ca 0.20 -0.49 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 2a55 n ASN 73 Cb 0.35 -4.22 0.01 0.00 -0.61 0.00 0.00 39.78 35.31 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2a55 s GLY 74 N -3.98 -0.03 -0.01 7.41 0.00 0.31 -2.03 107.32 108.99 2a55 s GLY 74 Ca 0.06 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.69 2a55 s GLY 74 CO 0.59 2.72 -0.04 1.62 0.00 0.00 0.00 173.10 177.99 2a55 s GLN 75 N -2.27 0.41 -0.38 2.90 2.00 -0.62 -4.62 119.66 117.08 2a55 s GLN 75 Ca 0.22 -0.12 -0.09 0.00 -2.00 0.00 0.00 55.36 53.36 2a55 s GLN 75 Cb -0.01 -0.43 0.05 0.00 0.80 0.00 0.00 33.01 33.42 2a55 s GLN 75 CO 0.03 0.05 0.19 0.08 -0.50 0.00 0.00 175.29 175.14 2a55 s VAL 76 N 0.15 4.22 -0.61 1.34 1.01 -1.26 -2.50 120.40 122.75 2a55 s VAL 76 Ca -0.01 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 2a55 s VAL 76 Cb -0.05 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2a55 s VAL 76 CO -0.00 -0.31 1.65 -0.70 0.00 0.00 0.00 175.10 175.74 2a55 s GLU 77 N 1.47 2.91 -0.06 2.72 2.56 -1.07 -4.97 118.70 122.25 2a55 s GLU 77 Ca 0.01 0.45 0.03 0.00 0.00 0.00 0.00 54.97 55.46 2a55 s GLU 77 Cb -0.20 -4.29 -0.02 0.00 2.00 0.00 0.00 34.13 31.61 2a55 s GLU 77 CO 0.04 -2.42 -0.14 0.42 -0.56 0.00 0.00 175.26 172.60 2a55 s ILE 78 N 7.71 3.07 0.00 -3.70 -1.09 -1.26 -4.43 121.20 121.50 2a55 s ILE 78 Ca 0.58 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2a55 s ILE 78 Cb -0.12 -2.22 0.00 0.00 -1.58 0.00 0.00 42.46 38.55 2a55 s ILE 78 CO 0.21 0.58 0.55 2.29 -1.23 0.00 0.00 174.94 177.34 2a55 n LYS 79 N 2.48 0.00 -0.18 2.79 0.00 -1.26 -4.93 118.16 117.05 2a55 n LYS 79 Ca -0.17 -0.40 0.00 0.00 -0.00 0.00 0.00 58.31 57.74 2a55 n LYS 79 Cb 0.52 0.29 0.00 0.00 -0.00 0.00 0.00 35.03 35.84 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 0.00 0.00 -0.99 0.58 -2.24 -1.26 -4.97 114.28 105.40 2a55 n THR 80 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2a55 n THR 80 Cb 0.47 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 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 0.00 -5.77 -2.68 3.42 9.92 -1.26 -1.55 116.55 118.63 2a55 n ASP 81 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2a55 n ASP 81 Cb 0.54 -3.33 0.05 0.00 -0.64 0.00 0.00 41.12 37.75 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2a55 n LEU 82 N 0.00 -4.02 -4.70 0.64 7.99 -1.26 -4.76 117.00 110.89 2a55 n LEU 82 Ca 0.00 -0.46 -0.37 0.00 -0.01 0.00 0.00 56.01 55.18 2a55 n LEU 82 Cb 0.47 -2.33 -0.08 0.00 -0.11 0.00 0.00 43.42 41.37 2a55 n LEU 82 CO 0.00 0.15 -0.04 -0.55 -1.51 0.00 0.00 177.39 175.44 2a55 s SER 83 N -3.55 6.34 0.04 -1.43 0.15 -0.59 -0.45 113.70 114.21 2a55 s SER 83 Ca 0.18 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 57.07 2a55 s SER 83 Cb -0.02 -2.17 -0.08 0.00 -1.71 0.00 0.00 66.02 62.04 2a55 s SER 83 CO 0.50 0.06 0.36 0.33 1.20 0.00 0.00 173.24 175.69 2a55 n PHE 84 N 3.93 0.05 -1.37 3.44 7.35 -0.86 -3.44 117.46 126.55 2a55 n PHE 84 Ca -0.12 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 2a55 n PHE 84 Cb 0.52 -0.90 0.00 0.00 0.35 0.00 0.00 39.48 39.45 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N 0.76 0.96 3.04 7.13 0.00 -1.16 -5.04 105.19 110.89 2a55 n GLY 85 Ca 0.08 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2a55 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 86 N -2.54 0.18 -0.07 1.61 0.01 -1.22 -4.94 113.70 106.72 2a55 s SER 86 Ca 0.00 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2a55 s SER 86 Cb 0.00 0.15 -0.00 0.00 0.21 0.00 0.00 66.02 66.38 2a55 s SER 86 CO 0.00 -0.36 -0.21 -1.58 0.41 0.00 0.00 173.24 171.49 2a55 s GLN 87 N -1.70 2.48 -0.12 12.44 -0.44 -1.26 0.02 119.66 131.09 2a55 s GLN 87 Ca -0.13 -0.77 0.02 0.00 -2.50 0.00 0.00 55.36 51.97 2a55 s GLN 87 Cb -0.07 -2.00 0.01 0.00 -1.64 0.00 0.00 33.01 29.31 2a55 s GLN 87 CO -0.01 0.23 -0.16 0.96 0.50 0.00 0.00 175.29 176.81 2a55 s ILE 88 N 0.18 1.62 0.21 -2.34 -4.36 1.00 -4.93 121.20 112.57 2a55 s ILE 88 Ca -0.11 -0.71 -0.10 0.00 -0.26 0.00 0.00 60.65 59.47 2a55 s ILE 88 Cb -0.15 -1.47 -0.07 0.00 1.25 0.00 0.00 42.46 42.02 2a55 s ILE 88 CO 0.05 0.46 0.54 -1.61 0.24 0.00 0.00 174.94 174.62 2a55 s GLU 89 N 1.01 3.82 0.54 0.37 2.02 -1.26 -1.73 118.70 123.47 2a55 s GLU 89 Ca -0.05 0.29 0.08 0.00 0.02 0.00 0.00 54.97 55.30 2a55 s GLU 89 Cb -0.15 -2.71 0.08 0.00 0.10 0.00 0.00 34.13 31.45 2a55 s GLU 89 CO -0.03 0.36 0.67 1.19 0.02 0.00 0.00 175.26 177.47 2a55 n PHE 90 N 0.05 -1.95 -3.44 1.61 3.72 -1.25 -2.59 117.46 113.62 2a55 n PHE 90 Ca -0.01 -2.04 -0.00 0.00 -0.05 0.00 0.00 57.45 55.35 2a55 n PHE 90 Cb 0.52 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a55 s SER 91 N -4.31 -1.09 -0.25 4.37 0.01 -1.04 -4.90 113.70 106.49 2a55 s SER 91 Ca 0.51 1.18 -0.23 0.00 1.31 0.00 0.00 55.95 58.72 2a55 s SER 91 Cb -0.04 2.11 -0.01 0.00 0.21 0.00 0.00 66.02 68.29 2a55 s SER 91 CO 0.32 -0.24 0.77 0.00 0.41 0.00 0.00 173.24 174.50 2a55 n SER 93 N 5.93 -2.47 -4.40 0.00 7.64 -0.86 -4.70 113.62 114.76 2a55 n SER 93 Ca 0.04 -0.07 -0.37 0.00 1.01 0.00 0.00 58.87 59.48 2a55 n SER 93 Cb 0.48 -0.93 0.05 0.00 -1.01 0.00 0.00 64.21 62.80 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -1.50 0.27 0.00 1.43 2.13 -1.26 -1.88 120.64 119.83 2a55 n GLU 94 Ca 0.01 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2a55 n GLU 94 Cb 0.63 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 1.95 1.64 3.34 8.31 0.00 -1.26 -4.90 105.19 114.27 2a55 n GLY 95 Ca 0.09 0.00 -0.33 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 2.85 0.54 1.61 0.08 -0.79 -0.10 117.98 122.17 2a55 s PHE 96 Ca 0.00 -0.76 -0.04 0.00 0.12 0.00 0.00 56.93 56.25 2a55 s PHE 96 Cb 0.00 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2a55 s PHE 96 CO 0.00 -0.32 0.82 -0.59 -0.10 0.00 0.00 175.22 175.03 2a55 s PHE 97 N 0.66 3.28 0.14 0.36 -0.71 -1.17 -3.97 117.98 116.57 2a55 s PHE 97 Ca -0.06 0.54 -0.25 0.00 -1.04 0.00 0.00 56.93 56.12 2a55 s PHE 97 Cb -0.15 -2.56 -0.07 0.00 -1.21 0.00 0.00 43.02 39.02 2a55 s PHE 97 CO 0.02 -0.62 0.76 -1.17 -1.34 0.00 0.00 175.22 172.87 2a55 s LEU 98 N -4.83 4.57 -0.27 -1.99 2.96 -1.26 -4.16 118.68 113.70 2a55 s LEU 98 Ca 0.51 1.59 -0.10 0.00 -0.22 0.00 0.00 54.13 55.92 2a55 s LEU 98 Cb -0.10 -3.26 0.11 0.00 0.50 0.00 0.00 46.19 43.44 2a55 s LEU 98 CO 0.43 0.18 0.59 -0.63 -1.32 0.00 0.00 176.35 175.60 2a55 s ILE 99 N -0.96 -0.73 0.00 6.68 1.01 -1.21 -4.96 121.20 121.03 2a55 s ILE 99 Ca 0.36 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.05 2a55 s ILE 99 Cb -0.22 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2a55 s ILE 99 CO 0.25 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.82 2a55 n GLY 100 N 5.22 2.30 0.00 6.18 0.00 -1.26 0.68 105.19 118.31 2a55 n GLY 100 Ca -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.18 1.61 2.88 -1.26 -4.97 113.62 111.71 2a55 n SER 101 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2a55 n SER 101 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 0.00 -3.78 2.46 -2.24 -1.26 -4.95 114.28 104.51 2a55 n THR 102 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2a55 n THR 102 Cb 0.00 -0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 67.42 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -1.63 0.06 -0.20 4.28 -4.23 -1.26 -3.96 115.64 108.70 2a55 s THR 103 Ca 0.00 -0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 60.01 2a55 s THR 103 Cb 0.00 -0.55 0.09 0.00 1.34 0.00 0.00 72.50 73.37 2a55 s THR 103 CO 0.00 -0.25 0.21 -0.55 -0.54 0.00 0.00 174.62 173.49 2a55 s SER 104 N -1.15 1.45 0.10 3.99 0.15 -0.70 -4.69 113.70 112.85 2a55 s SER 104 Ca -0.12 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.31 2a55 s SER 104 Cb -0.05 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 2a55 s SER 104 CO 0.03 -0.33 0.16 -0.13 1.20 0.00 0.00 173.24 174.18 2a55 s ARG 105 N 2.31 3.13 -0.34 5.44 0.52 -1.26 -0.00 118.95 128.75 2a55 s ARG 105 Ca 0.06 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 2a55 s ARG 105 Cb -0.16 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 2a55 s ARG 105 CO -0.12 0.55 0.34 0.00 0.02 0.00 0.00 175.30 176.10 2a55 s GLU 107 N 1.97 2.24 -0.05 0.00 2.56 -0.20 -2.96 118.70 122.26 2a55 s GLU 107 Ca 0.11 -2.45 0.02 0.00 0.00 0.00 0.00 54.97 52.65 2a55 s GLU 107 Cb -0.17 -1.53 0.02 0.00 2.00 0.00 0.00 34.13 34.45 2a55 s GLU 107 CO 0.11 -0.42 -0.07 0.08 -0.56 0.00 0.00 175.26 174.40 2a55 s VAL 108 N -2.90 0.74 -0.33 3.70 1.01 -1.26 0.83 120.40 122.19 2a55 s VAL 108 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2a55 s VAL 108 Cb 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.76 2a55 s VAL 108 CO 0.01 0.26 0.03 -1.10 0.00 0.00 0.00 175.10 174.30 2a55 s GLN 109 N 0.70 1.79 3.48 2.72 -0.21 -1.18 -4.68 119.66 122.29 2a55 s GLN 109 Ca -0.11 -1.71 0.00 0.00 0.02 0.00 0.00 55.36 53.56 2a55 s GLN 109 Cb -0.14 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.68 2a55 s GLN 109 CO 0.01 -0.85 0.00 -0.25 -2.12 0.00 0.00 175.29 172.08 2a55 n ASP 110 N 4.37 -0.85 -0.80 5.90 9.92 -1.26 -2.16 116.55 131.67 2a55 n ASP 110 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 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 -2.11 0.13 0.00 0.00 177.20 175.22 2a55 n ARG 111 N 0.00 0.86 -3.35 -1.24 1.85 -1.26 -4.28 116.66 109.24 2a55 n ARG 111 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2a55 n ARG 111 Cb 0.00 -1.22 -0.08 0.00 -1.05 0.00 0.00 32.46 30.11 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2a55 s GLY 112 N 0.53 0.31 0.26 2.89 0.00 -0.92 -5.13 107.32 105.27 2a55 s GLY 112 Ca 0.00 -1.42 -0.17 0.00 0.00 0.00 0.00 44.72 43.13 2a55 s GLY 112 CO 0.00 2.55 0.15 1.55 0.00 0.00 0.00 173.10 177.34 2a55 n VAL 113 N 3.84 0.74 -4.49 1.40 3.14 -1.26 -3.09 118.33 118.61 2a55 n VAL 113 Ca 0.15 -0.37 -0.27 0.00 -2.96 0.00 0.00 64.34 60.89 2a55 n VAL 113 Cb 0.45 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.09 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -0.75 1.36 0.00 7.55 0.00 0.24 -4.56 107.32 111.16 2a55 s GLY 114 Ca 0.45 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2a55 s GLY 114 CO 0.46 -1.25 0.00 0.79 0.00 0.00 0.00 173.10 173.09 2a55 n TRP 115 N 1.28 -3.63 0.00 1.90 5.03 -1.26 -1.03 117.44 119.73 2a55 n TRP 115 Ca -0.18 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.35 2a55 n TRP 115 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.81 2a55 n TRP 115 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2a55 n SER 116 N -2.76 0.56 -3.63 -0.99 3.41 -1.20 -4.63 113.62 104.38 2a55 n SER 116 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2a55 n SER 116 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2a55 s HIS 117 N -1.97 -0.74 0.00 7.33 5.65 -1.26 -5.01 115.29 119.29 2a55 s HIS 117 Ca 0.00 1.46 0.00 0.00 0.25 0.00 0.00 55.06 56.77 2a55 s HIS 117 Cb 0.00 0.44 0.00 0.00 -1.18 0.00 0.00 32.58 31.84 2a55 s HIS 117 CO 0.00 -0.37 0.00 -0.35 -0.65 0.00 0.00 174.74 173.37 2a55 n PRO 118 N 4.00 2.16 -1.68 2.88 -0.04 -1.26 -4.66 135.00 136.40 2a55 n PRO 118 Ca -0.18 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.71 2a55 n PRO 118 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2a55 n LEU 119 N 0.00 2.38 0.00 1.53 7.99 -1.26 -4.96 117.00 122.68 2a55 n LEU 119 Ca 0.00 1.01 0.00 0.00 -0.01 0.00 0.00 56.01 57.01 2a55 n LEU 119 Cb 0.00 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.16 2a55 n LEU 119 CO 0.00 -0.44 0.00 -2.65 -1.51 0.00 0.00 177.39 172.79 2a55 n PRO 120 N 5.73 1.06 -3.79 3.23 -0.02 -1.26 -5.02 135.00 134.93 2a55 n PRO 120 Ca 0.28 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.52 2a55 n PRO 120 Cb 0.14 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.44 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2a55 s GLN 121 N 0.00 0.77 -0.37 -0.52 0.74 0.22 -4.96 119.66 115.53 2a55 s GLN 121 Ca 0.00 -0.00 -0.10 0.00 0.05 0.00 0.00 55.36 55.31 2a55 s GLN 121 Cb 0.00 -1.18 0.04 0.00 1.10 0.00 0.00 33.01 32.97 2a55 s GLN 121 CO 0.00 -0.33 0.19 0.00 -0.55 0.00 0.00 175.29 174.60 2a55 s GLU 123 N 1.50 0.81 0.67 0.00 2.56 -1.26 -5.01 118.70 117.97 2a55 s GLU 123 Ca 0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 54.97 54.13 2a55 s GLU 123 Cb -0.20 -0.78 0.00 0.00 2.00 0.00 0.00 34.13 35.16 2a55 s GLU 123 CO 0.05 0.19 1.26 -1.50 -0.56 0.00 0.00 175.26 174.70 2a55 s ILE 124 N -0.83 2.15 -0.61 -3.70 1.10 -1.26 -3.04 121.20 115.01 2a55 s ILE 124 Ca -0.00 0.09 0.16 0.00 -0.51 0.00 0.00 60.65 60.39 2a55 s ILE 124 Cb -0.07 -2.91 0.16 0.00 0.15 0.00 0.00 42.46 39.79 2a55 s ILE 124 CO 0.01 -0.03 1.50 0.18 -2.11 0.00 0.00 174.94 174.49 2a55 n LEU 125 N -2.16 0.37 -5.01 8.50 4.77 0.86 -4.69 117.00 119.63 2a55 n LEU 125 Ca 0.15 0.63 -0.19 0.00 -0.03 0.00 0.00 56.01 56.57 2a55 n LEU 125 Cb 0.49 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2a55 n LEU 125 CO 0.47 -0.60 0.26 -1.61 -1.33 0.00 0.00 177.39 174.57 2a55 s GLU 126 N -3.26 2.56 0.00 3.23 0.41 -1.26 -5.06 118.70 115.32 2a55 s GLU 126 Ca 0.02 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 2a55 s GLU 126 Cb 0.07 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2a55 s GLU 126 CO 0.23 -0.58 0.00 0.72 -0.49 0.00 0.00 175.26 175.14 2a55 n HIS 127 N -2.08 0.00 -3.66 1.61 8.25 -1.26 -5.08 115.22 112.99 2a55 n HIS 127 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.36 2a55 n HIS 127 Cb 0.60 0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.72 2a55 n HIS 127 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2a55 s HIS 128 N -1.88 3.37 0.47 4.41 3.76 -1.26 -5.13 115.29 119.03 2a55 s HIS 128 Ca 0.00 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 54.97 2a55 s HIS 128 Cb 0.00 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 2a55 s HIS 128 CO 0.00 0.21 0.01 -1.58 -0.85 0.00 0.00 174.74 172.53 2a55 s HIS 129 N -2.14 2.11 -1.95 1.40 2.46 -1.26 -5.02 115.29 110.90 2a55 s HIS 129 Ca 0.39 -0.85 0.32 0.00 0.47 0.00 0.00 55.06 55.39 2a55 s HIS 129 Cb -0.09 -1.68 1.87 0.00 -0.13 0.00 0.00 32.58 32.55 2a55 s HIS 129 CO 0.32 0.31 2.21 -2.39 -2.47 0.00 0.00 174.74 172.72 2a55 n HIS 130 N -1.16 0.00 -1.34 3.88 1.44 -1.26 -5.01 115.22 111.78 2a55 n HIS 130 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 2a55 n HIS 130 Cb 0.67 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.75 2a55 n HIS 130 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2a55 n HIS 131 N -1.02 -3.67 -0.43 -1.40 8.25 -1.26 -5.37 115.22 110.32 2a55 n HIS 131 Ca 0.23 1.97 0.00 0.00 -0.26 0.00 0.00 57.72 59.66 2a55 n HIS 131 Cb 0.12 -3.12 0.00 0.00 1.12 0.00 0.00 29.99 28.11 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56