#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 -6.30 -0.37 6.12 4.13 -1.26 -4.62 115.26 112.96 2a55 n ASN 1 Ca 0.00 1.11 0.13 0.00 1.68 0.00 0.00 54.58 57.51 2a55 n ASN 1 Cb 0.00 -3.91 0.42 0.00 -1.54 0.00 0.00 39.78 34.75 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 n GLY 3 N 1.28 0.67 3.56 0.00 0.00 -1.26 -4.36 105.19 105.07 2a55 n GLY 3 Ca 0.15 -1.75 -0.51 0.00 0.00 0.00 0.00 46.02 43.91 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 0.72 0.91 -1.56 1.61 -0.02 -1.03 -4.73 135.00 130.89 2a55 n PRO 4 Ca 0.00 0.32 -0.49 0.00 -2.02 0.00 0.00 63.50 61.31 2a55 n PRO 4 Cb 0.00 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 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 1.85 1.55 -0.36 0.52 -0.02 -1.26 -4.95 135.00 132.33 2a55 n PRO 5 Ca 0.17 0.49 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 2a55 n PRO 5 Cb 0.21 -2.62 0.21 0.00 -0.02 0.00 0.00 33.50 31.28 2a55 n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2a55 n PRO 6 N 7.65 -3.74 -3.72 0.52 -0.04 -1.26 -5.02 135.00 129.39 2a55 n PRO 6 Ca 0.33 -1.18 -0.35 0.00 -0.04 0.00 0.00 63.50 62.26 2a55 n PRO 6 Cb 0.28 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a55 s THR 7 N -2.04 5.40 0.07 0.52 -1.32 -1.26 -5.10 115.64 111.92 2a55 s THR 7 Ca 0.52 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 61.25 2a55 s THR 7 Cb -0.08 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 2a55 s THR 7 CO 0.42 0.46 0.02 0.18 -2.21 0.00 0.00 174.62 173.49 2a55 n LEU 8 N 3.31 0.00 0.00 9.08 4.32 -1.26 -5.08 117.00 127.37 2a55 n LEU 8 Ca -0.16 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 2a55 n LEU 8 Cb 0.52 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 2a55 n LEU 8 CO 0.37 -0.16 -0.14 -1.20 -1.22 0.00 0.00 177.39 175.05 2a55 n SER 9 N -1.42 1.15 0.16 -1.43 7.64 -1.26 -4.77 113.62 113.68 2a55 n SER 9 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.99 2a55 n SER 9 Cb 0.08 0.03 0.51 0.00 -1.01 0.00 0.00 64.21 63.83 2a55 n SER 9 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2a55 h PHE 10 N 0.00 0.00 -3.34 1.43 0.04 -1.93 -3.44 116.94 109.70 2a55 h PHE 10 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2a55 h PHE 10 Cb 0.27 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.27 2a55 h PHE 10 CO 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 178.31 177.53 2a55 s ALA 11 N -3.35 -0.76 0.04 2.45 0.00 -1.26 -4.17 121.76 114.70 2a55 s ALA 11 Ca 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2a55 s ALA 11 Cb 0.09 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 2a55 s ALA 11 CO 0.45 -0.51 -0.14 0.00 0.00 0.00 0.00 175.76 175.56 2a55 s ALA 12 N -3.11 1.14 0.44 0.00 0.00 0.58 -4.48 121.76 116.33 2a55 s ALA 12 Ca -0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 2a55 s ALA 12 Cb 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 23.12 22.83 2a55 s ALA 12 CO -0.07 0.21 0.56 -2.30 0.00 0.00 0.00 175.76 174.16 2a55 n PRO 13 N 1.92 0.60 0.00 0.00 -0.02 -1.26 -0.79 135.00 135.45 2a55 n PRO 13 Ca -0.18 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2a55 n PRO 13 Cb 0.55 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.49 0.23 -0.14 -0.52 1.56 -1.26 -4.68 117.12 112.79 2a55 n MET 14 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.41 -0.02 0.00 0.00 2.15 0.00 0.00 33.22 35.76 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2a55 n ASP 15 N 0.00 0.00 -0.01 6.12 2.03 -1.26 -4.90 116.55 118.53 2a55 n ASP 15 Ca 0.00 -1.17 -0.01 0.00 0.52 0.00 0.00 54.79 54.13 2a55 n ASP 15 Cb 0.00 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.36 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 0.00 0.08 -2.56 5.18 3.06 -1.26 -4.83 119.36 119.03 2a55 n ILE 16 Ca 0.00 -0.03 -0.04 0.00 -2.50 0.00 0.00 62.75 60.18 2a55 n ILE 16 Cb 0.53 -0.56 -0.03 0.00 0.54 0.00 0.00 39.64 40.12 2a55 n ILE 16 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2a55 n THR 17 N -2.52-12.22 -1.60 9.51 -1.04 -1.26 -4.60 114.28 100.55 2a55 n THR 17 Ca -0.02 2.70 -0.14 0.00 -2.04 0.00 0.00 64.05 64.54 2a55 n THR 17 Cb 0.53 -6.15 -0.09 0.00 -1.82 0.00 0.00 70.33 62.80 2a55 n THR 17 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2a55 s LEU 18 N -0.60 2.67 0.00 -4.42 2.01 -1.26 -4.01 118.68 113.07 2a55 s LEU 18 Ca -0.21 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 53.55 2a55 s LEU 18 Cb 0.01 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.64 2a55 s LEU 18 CO 0.56 -4.20 0.00 0.35 1.01 0.00 0.00 176.35 174.07 2a55 n THR 19 N 8.86 0.00 -0.93 5.49 -2.24 -1.26 -5.11 114.28 119.10 2a55 n THR 19 Ca 0.45 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 2a55 n THR 19 Cb 0.45 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.00 0.80 0.02 -0.78 1.02 -1.26 -5.08 120.64 115.36 2a55 n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2a55 n GLU 20 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -0.91 0.08 -4.41 2.62 -2.24 -1.26 -4.97 114.28 103.18 2a55 n THR 21 Ca 0.00 0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 2a55 n THR 21 Cb 0.00 -0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 67.17 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 -2.00 1.51 -0.22 -0.78 0.52 -1.26 -2.46 118.95 114.25 2a55 s ARG 22 Ca 0.00 -1.62 -0.03 0.00 -0.52 0.00 0.00 55.73 53.56 2a55 s ARG 22 Cb 0.00 -1.58 0.11 0.00 0.52 0.00 0.00 34.95 34.00 2a55 s ARG 22 CO 0.00 0.31 0.28 -0.06 0.02 0.00 0.00 175.30 175.85 2a55 s PHE 23 N -2.34 -0.48 1.06 -0.53 0.40 -1.26 -5.04 117.98 109.79 2a55 s PHE 23 Ca 0.24 0.42 -0.21 0.00 -0.60 0.00 0.00 56.93 56.78 2a55 s PHE 23 Cb -0.05 -0.23 -0.01 0.00 0.51 0.00 0.00 43.02 43.24 2a55 s PHE 23 CO 0.11 -0.66 -0.48 0.36 0.70 0.00 0.00 175.22 175.25 2a55 n LYS 24 N 5.33 -0.89 0.00 0.44 2.85 -1.26 -4.07 118.16 120.57 2a55 n LYS 24 Ca -0.05 -0.25 0.06 0.00 -1.05 0.00 0.00 58.31 57.02 2a55 n LYS 24 Cb 0.50 -1.46 0.27 0.00 -0.65 0.00 0.00 35.03 33.69 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 -3.94 0.93 0.49 0.58 -2.24 -1.26 -1.81 114.28 107.02 2a55 n THR 25 Ca 0.00 0.23 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 2a55 n THR 25 Cb 0.65 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.31 -1.10 3.62 3.38 0.00 -1.26 -4.05 105.19 105.47 2a55 n GLY 26 Ca 0.04 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.25 2.13 -0.28 2.61 -1.32 -0.75 -4.94 115.64 109.83 2a55 s THR 27 Ca 0.01 0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.42 2a55 s THR 27 Cb 0.15 -2.11 0.11 0.00 -1.51 0.00 0.00 72.50 69.14 2a55 s THR 27 CO 0.85 -0.05 0.62 -0.89 -2.21 0.00 0.00 174.62 172.94 2a55 s THR 28 N -2.61 -0.76 0.49 5.08 2.01 -1.25 -3.95 115.64 114.64 2a55 s THR 28 Ca 0.67 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.65 2a55 s THR 28 Cb -0.23 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2a55 s THR 28 CO 0.60 0.01 0.77 -0.76 -0.69 0.00 0.00 174.62 174.55 2a55 s LEU 29 N 2.61 3.59 0.00 4.42 1.02 0.31 -4.87 118.68 125.75 2a55 s LEU 29 Ca -0.06 0.77 0.00 0.00 0.02 0.00 0.00 54.13 54.86 2a55 s LEU 29 Cb -0.11 -3.68 0.00 0.00 0.02 0.00 0.00 46.19 42.42 2a55 s LEU 29 CO -0.18 -0.66 0.00 1.17 0.02 0.00 0.00 176.35 176.69 2a55 n LYS 30 N -2.26 0.00 -1.21 1.70 0.00 -1.26 -3.21 118.16 111.92 2a55 n LYS 30 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.42 2a55 n LYS 30 Cb 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.14 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 -1.68 -3.33 -4.40 5.64 4.02 -1.26 -4.21 117.16 111.94 2a55 n TYR 31 Ca 0.00 1.78 -0.26 0.00 -0.01 0.00 0.00 57.90 59.41 2a55 n TYR 31 Cb 0.00 -2.91 -0.11 0.00 -0.02 0.00 0.00 39.34 36.30 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 -3.18 2.56 -0.18 -0.72 -1.32 0.03 -4.80 115.64 108.03 2a55 s THR 32 Ca 0.00 -2.02 -0.09 0.00 -1.21 0.00 0.00 61.69 58.37 2a55 s THR 32 Cb 0.00 -2.26 -0.05 0.00 -1.51 0.00 0.00 72.50 68.68 2a55 s THR 32 CO 0.00 -0.17 0.12 0.00 -2.21 0.00 0.00 174.62 172.36 2a55 n LEU 34 N 3.20 -2.93 0.06 0.00 4.77 -1.26 -4.72 117.00 116.12 2a55 n LEU 34 Ca -0.17 0.28 0.21 0.00 -0.03 0.00 0.00 56.01 56.30 2a55 n LEU 34 Cb 0.53 -1.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.35 2a55 n LEU 34 CO 0.35 -4.75 1.19 1.55 -1.33 0.00 0.00 177.39 174.40 2a55 h PRO 35 N -1.23 0.00 0.00 3.23 0.13 -2.00 -0.67 132.00 131.47 2a55 h PRO 35 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a55 h PRO 35 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2a55 h PRO 35 CO 0.29 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 2a55 n GLY 36 N -1.52 -1.39 3.78 1.56 0.00 -1.26 -4.79 105.19 101.57 2a55 n GLY 36 Ca 0.09 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2a55 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a55 s TYR 37 N -2.96 3.80 0.00 1.61 1.51 -0.26 -2.35 117.35 118.69 2a55 s TYR 37 Ca 0.14 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 2a55 s TYR 37 Cb 0.17 -2.67 0.00 0.00 -0.11 0.00 0.00 41.96 39.35 2a55 s TYR 37 CO 0.48 0.46 0.00 1.33 -1.11 0.00 0.00 175.55 176.70 2a55 n VAL 38 N 2.10 0.00 -4.23 0.71 0.24 0.15 -4.92 118.33 112.38 2a55 n VAL 38 Ca -0.07 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.89 2a55 n VAL 38 Cb 0.50 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a55 s ARG 39 N 2.48 3.36 0.00 7.34 1.70 -1.26 -4.04 118.95 128.53 2a55 s ARG 39 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 54.89 2a55 s ARG 39 Cb 0.00 -2.95 0.00 0.00 -0.57 0.00 0.00 34.95 31.43 2a55 s ARG 39 CO 0.00 0.56 0.00 0.45 -1.08 0.00 0.00 175.30 175.23 2a55 n SER 40 N 2.62 0.00 0.00 -2.89 2.88 -1.26 -4.96 113.62 110.01 2a55 n SER 40 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2a55 n SER 40 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 0.00 0.00 0.66 -0.00 -1.26 -5.03 115.22 109.59 2a55 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2a55 n HIS 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2a55 n SER 42 N -1.53 0.00 -4.70 0.26 2.88 -1.26 -4.94 113.62 104.32 2a55 n SER 42 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 2a55 n SER 42 Cb 0.05 -0.59 -0.07 0.00 -0.75 0.00 0.00 64.21 62.86 2a55 n SER 42 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2a55 s THR 43 N -1.77 3.13 -0.30 2.46 2.01 -1.26 -5.07 115.64 114.84 2a55 s THR 43 Ca 0.00 -1.76 -0.12 0.00 0.31 0.00 0.00 61.69 60.12 2a55 s THR 43 Cb 0.00 -2.94 0.18 0.00 0.01 0.00 0.00 72.50 69.75 2a55 s THR 43 CO 0.00 -0.23 1.06 0.00 -0.69 0.00 0.00 174.62 174.75 2a55 s GLN 44 N -3.79 0.15 -0.09 4.92 -2.07 -1.26 -3.71 119.66 113.81 2a55 s GLN 44 Ca 0.36 0.19 -0.21 0.00 -1.82 0.00 0.00 55.36 53.88 2a55 s GLN 44 Cb -0.03 0.10 0.05 0.00 -1.09 0.00 0.00 33.01 32.03 2a55 s GLN 44 CO 0.22 -0.24 0.51 0.95 -1.32 0.00 0.00 175.29 175.41 2a55 s THR 45 N 2.96 0.02 -0.26 3.63 -4.23 -1.26 -4.63 115.64 111.87 2a55 s THR 45 Ca 0.16 -0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.48 2a55 s THR 45 Cb -0.05 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 73.02 2a55 s THR 45 CO -0.18 -0.08 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.05 2a55 s LEU 46 N -0.72 3.40 0.13 4.79 1.43 -1.20 -4.74 118.68 121.77 2a55 s LEU 46 Ca -0.08 -0.76 0.10 0.00 -1.03 0.00 0.00 54.13 52.36 2a55 s LEU 46 Cb -0.03 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2a55 s LEU 46 CO 0.05 -0.14 -0.25 -0.89 0.23 0.00 0.00 176.35 175.35 2a55 s THR 47 N 1.40 2.09 -0.26 5.49 2.01 -1.25 -0.53 115.64 124.59 2a55 s THR 47 Ca 0.02 -1.72 -0.27 0.00 0.31 0.00 0.00 61.69 60.02 2a55 s THR 47 Cb -0.17 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.48 2a55 s THR 47 CO -0.02 0.02 0.97 0.00 -0.69 0.00 0.00 174.62 174.90 2a55 s ASN 49 N 1.40 4.94 -1.39 0.00 4.22 -1.24 -4.24 114.94 118.62 2a55 s ASN 49 Ca 0.41 -0.49 -0.07 0.00 -2.14 0.00 0.00 52.86 50.57 2a55 s ASN 49 Cb -0.14 -0.12 0.07 0.00 1.28 0.00 0.00 41.25 42.34 2a55 s ASN 49 CO 0.09 -1.42 2.48 -0.24 -2.04 0.00 0.00 177.10 175.97 2a55 n SER 50 N -2.41 7.88 0.00 3.54 2.88 -1.26 -3.41 113.62 120.84 2a55 n SER 50 Ca 0.13 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 2a55 n SER 50 Cb 0.61 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 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 2.44 0.00 -1.21 -3.46 -0.08 -1.26 -4.99 116.55 107.99 2a55 n ASP 51 Ca 0.64 -1.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.77 2a55 n ASP 51 Cb 0.26 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.65 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 1.43 3.27 0.27 0.00 -1.22 -4.94 105.19 104.00 2a55 n GLY 52 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.23 1.10 -0.45 1.61 -1.05 -1.26 -4.56 118.70 110.86 2a55 s GLU 53 Ca 0.00 -1.26 -0.25 0.00 -0.15 0.00 0.00 54.97 53.31 2a55 s GLU 53 Cb 0.00 -1.10 0.03 0.00 -0.44 0.00 0.00 34.13 32.61 2a55 s GLU 53 CO 0.00 0.22 0.90 -1.58 0.95 0.00 0.00 175.26 175.76 2a55 s TRP 54 N -1.92 2.95 0.05 4.83 0.52 -1.26 -3.64 118.94 120.46 2a55 s TRP 54 Ca 0.10 0.37 -0.07 0.00 0.02 0.00 0.00 56.10 56.52 2a55 s TRP 54 Cb -0.06 -3.89 -0.05 0.00 -1.15 0.00 0.00 33.47 28.31 2a55 s TRP 54 CO 0.04 -1.06 0.32 0.08 0.02 0.00 0.00 176.95 176.36 2a55 s VAL 55 N 3.65 5.22 0.00 4.03 1.01 -1.24 -4.90 120.40 128.17 2a55 s VAL 55 Ca 0.36 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2a55 s VAL 55 Cb -0.11 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2a55 s VAL 55 CO 0.25 0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.64 2a55 n TYR 56 N 0.89 0.00 -2.03 5.22 4.11 -1.26 -3.91 117.16 120.18 2a55 n TYR 56 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 2a55 n TYR 56 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2a55 n ASN 57 N 0.00 -2.42 -4.41 9.48 3.02 -1.26 -3.92 115.26 115.74 2a55 n ASN 57 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.10 2a55 n ASN 57 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a55 s THR 58 N 0.00 5.26 0.00 3.41 2.01 -1.26 -4.95 115.64 120.11 2a55 s THR 58 Ca 0.00 -2.51 0.00 0.00 0.31 0.00 0.00 61.69 59.49 2a55 s THR 58 Cb 0.00 -4.74 0.00 0.00 0.01 0.00 0.00 72.50 67.77 2a55 s THR 58 CO 0.00 -1.40 0.00 2.22 -0.69 0.00 0.00 174.62 174.75 2a55 n PHE 59 N 4.96 0.00 -1.45 4.92 1.16 -1.25 -4.79 117.46 121.01 2a55 n PHE 59 Ca 0.27 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.45 2a55 n PHE 59 Cb 0.44 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.33 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 -1.58 2.51 -0.34 0.00 2.07 -1.26 -4.98 121.20 117.62 2a55 s ILE 61 Ca 0.65 -0.84 -0.15 0.00 -1.41 0.00 0.00 60.65 58.91 2a55 s ILE 61 Cb -0.54 -2.03 -0.01 0.00 0.13 0.00 0.00 42.46 40.00 2a55 s ILE 61 CO 0.57 0.53 0.33 -0.47 -1.91 0.00 0.00 174.94 173.99 2a55 s TYR 62 N 0.66 3.22 -0.42 3.50 6.14 -1.26 0.33 117.35 129.51 2a55 s TYR 62 Ca -0.09 -0.06 0.01 0.00 0.64 0.00 0.00 57.07 57.57 2a55 s TYR 62 Cb -0.16 -2.62 0.23 0.00 0.42 0.00 0.00 41.96 39.83 2a55 s TYR 62 CO 0.02 -0.41 0.99 0.36 0.64 0.00 0.00 175.55 177.16 2a55 n LYS 63 N 5.31 0.39 0.00 4.97 2.85 -0.99 -4.97 118.16 125.71 2a55 n LYS 63 Ca -0.10 -1.31 0.00 0.00 -1.05 0.00 0.00 58.31 55.85 2a55 n LYS 63 Cb 0.49 -0.76 0.00 0.00 -0.65 0.00 0.00 35.03 34.11 2a55 n LYS 63 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2a55 n ARG 64 N 2.16 2.19 -4.65 -1.58 0.00 -1.25 -3.94 116.66 109.60 2a55 n ARG 64 Ca 0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.71 2a55 n ARG 64 Cb 0.64 0.00 -0.16 0.00 -0.00 0.00 0.00 32.46 32.94 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 0.15 4.13 0.17 0.00 6.06 -1.26 -4.67 118.95 123.53 2a55 s ARG 66 Ca -0.05 2.54 -0.34 0.00 -2.50 0.00 0.00 55.73 55.39 2a55 s ARG 66 Cb -0.11 -3.01 -0.15 0.00 0.06 0.00 0.00 34.95 31.75 2a55 s ARG 66 CO 0.02 -0.56 1.39 -2.39 -2.50 0.00 0.00 175.30 171.26 2a55 n HIS 67 N 1.38 1.88 -0.19 5.12 1.44 -1.26 -4.69 115.22 118.90 2a55 n HIS 67 Ca 0.05 0.48 0.16 0.00 -2.01 0.00 0.00 57.72 56.40 2a55 n HIS 67 Cb 0.39 -2.42 0.51 0.00 0.12 0.00 0.00 29.99 28.58 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2a55 h PRO 68 N 4.63 0.40 0.00 -1.40 0.13 -1.98 -3.48 132.00 130.30 2a55 h PRO 68 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.30 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2a55 h PRO 68 CO 0.79 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 179.23 2a55 n GLY 69 N -1.52 -1.30 3.72 1.56 0.00 -1.26 -4.49 105.19 101.90 2a55 n GLY 69 Ca 0.16 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.21 4.56 -0.59 1.61 2.12 -1.26 -4.84 118.70 120.09 2a55 s GLU 70 Ca 0.00 1.31 -0.17 0.00 0.36 0.00 0.00 54.97 56.46 2a55 s GLU 70 Cb 0.00 -3.43 0.12 0.00 0.26 0.00 0.00 34.13 31.08 2a55 s GLU 70 CO 0.00 0.06 0.62 -1.17 -0.54 0.00 0.00 175.26 174.23 2a55 s LEU 71 N 0.65 5.83 0.19 2.70 2.96 -1.26 -4.88 118.68 124.88 2a55 s LEU 71 Ca 0.47 -1.68 -0.31 0.00 -0.22 0.00 0.00 54.13 52.39 2a55 s LEU 71 Cb -0.21 -2.26 -0.10 0.00 0.50 0.00 0.00 46.19 44.13 2a55 s LEU 71 CO 0.26 -0.97 1.51 -0.60 -1.32 0.00 0.00 176.35 175.23 2a55 s ARG 72 N 2.04 4.24 0.00 1.98 3.52 -1.26 -1.63 118.95 127.85 2a55 s ARG 72 Ca 0.08 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 2a55 s ARG 72 Cb -0.26 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 2a55 s ARG 72 CO 0.04 -0.52 0.00 0.09 -0.81 0.00 0.00 175.30 174.09 2a55 n ASN 73 N 3.35 -2.11 0.00 -2.12 3.02 -1.26 -4.63 115.26 111.51 2a55 n ASN 73 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2a55 n ASN 73 Cb 0.39 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a55 n GLY 74 N -2.70 2.19 2.91 7.41 0.00 -0.64 -1.01 105.19 113.34 2a55 n GLY 74 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 2a55 n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a55 s GLN 75 N 2.34 0.80 0.03 1.61 2.00 0.29 -4.78 119.66 121.95 2a55 s GLN 75 Ca 0.00 -0.76 -0.37 0.00 -2.00 0.00 0.00 55.36 52.23 2a55 s GLN 75 Cb 0.00 -0.36 -0.16 0.00 0.80 0.00 0.00 33.01 33.29 2a55 s GLN 75 CO 0.00 -1.23 1.44 1.55 -0.50 0.00 0.00 175.29 176.55 2a55 n VAL 76 N 4.01 0.07 -2.01 1.34 3.14 -1.26 -3.32 118.33 120.29 2a55 n VAL 76 Ca 0.14 -0.01 -0.39 0.00 -2.96 0.00 0.00 64.34 61.11 2a55 n VAL 76 Cb 0.51 -0.97 -0.03 0.00 -1.06 0.00 0.00 33.84 32.29 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2a55 s GLU 77 N 1.13 2.68 0.07 1.45 2.56 0.11 -4.92 118.70 121.78 2a55 s GLU 77 Ca 0.87 0.74 0.07 0.00 0.00 0.00 0.00 54.97 56.65 2a55 s GLU 77 Cb -0.95 -4.37 -0.03 0.00 2.00 0.00 0.00 34.13 30.78 2a55 s GLU 77 CO 0.49 -2.66 -0.19 0.42 -0.56 0.00 0.00 175.26 172.77 2a55 s ILE 78 N 8.97 1.56 0.00 -3.70 -1.09 -1.26 -3.92 121.20 121.76 2a55 s ILE 78 Ca 0.70 -1.32 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 2a55 s ILE 78 Cb -0.14 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.34 2a55 s ILE 78 CO 0.22 0.03 0.00 2.29 -1.23 0.00 0.00 174.94 176.26 2a55 n LYS 79 N 1.50 0.00 0.00 2.79 0.00 -1.26 -4.95 118.16 116.24 2a55 n LYS 79 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2a55 n LYS 79 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 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 -0.95 0.01 -0.88 0.58 -2.24 -1.26 -4.75 114.28 104.80 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.15 -4.72 -2.56 3.42 8.00 -1.26 -2.04 116.55 117.53 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 2a55 n ASP 81 Cb 0.18 -3.22 0.05 0.00 -0.02 0.00 0.00 41.12 38.12 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2a55 n LEU 82 N 0.00 -3.74 -4.73 0.64 7.99 -1.26 -4.84 117.00 111.06 2a55 n LEU 82 Ca 0.00 -0.42 -0.37 0.00 -0.01 0.00 0.00 56.01 55.22 2a55 n LEU 82 Cb 0.39 -2.18 -0.07 0.00 -0.11 0.00 0.00 43.42 41.45 2a55 n LEU 82 CO 0.00 0.16 0.01 -0.94 -1.51 0.00 0.00 177.39 175.11 2a55 s SER 83 N -3.59 6.47 0.24 -1.43 1.04 -0.87 0.32 113.70 115.89 2a55 s SER 83 Ca 0.13 0.55 -0.20 0.00 0.48 0.00 0.00 55.95 56.91 2a55 s SER 83 Cb -0.02 -2.20 -0.13 0.00 0.10 0.00 0.00 66.02 63.78 2a55 s SER 83 CO 0.46 0.09 0.25 0.33 0.98 0.00 0.00 173.24 175.35 2a55 n PHE 84 N 3.57 -1.03 -1.62 5.02 7.35 -1.25 -3.92 117.46 125.56 2a55 n PHE 84 Ca -0.11 0.65 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 2a55 n PHE 84 Cb 0.52 -1.51 0.00 0.00 0.35 0.00 0.00 39.48 38.84 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 1.75 0.55 3.34 7.13 0.00 -1.26 -4.91 105.19 111.80 2a55 n GLY 85 Ca 0.12 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.75 -0.31 -0.11 1.61 0.01 -1.25 -5.00 113.70 105.89 2a55 s SER 86 Ca 0.00 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2a55 s SER 86 Cb 0.00 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 2a55 s SER 86 CO 0.00 -0.80 -0.12 -1.58 0.41 0.00 0.00 173.24 171.15 2a55 s GLN 87 N -3.27 3.20 -0.22 12.44 -0.44 -1.26 -3.17 119.66 126.94 2a55 s GLN 87 Ca -0.00 -0.67 0.01 0.00 -2.50 0.00 0.00 55.36 52.19 2a55 s GLN 87 Cb 0.01 -2.60 0.05 0.00 -1.64 0.00 0.00 33.01 28.83 2a55 s GLN 87 CO -0.08 0.32 -0.07 0.96 0.50 0.00 0.00 175.29 176.91 2a55 s ILE 88 N 0.08 1.59 0.00 -2.34 -4.36 0.29 -4.90 121.20 111.56 2a55 s ILE 88 Ca -0.05 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 2a55 s ILE 88 Cb -0.14 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.79 2a55 s ILE 88 CO 0.04 0.01 0.00 -0.62 0.24 0.00 0.00 174.94 174.62 2a55 n GLU 89 N 4.67 -0.05 -4.11 0.37 1.02 -1.25 -2.61 120.64 118.68 2a55 n GLU 89 Ca -0.13 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.85 2a55 n GLU 89 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.83 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 -0.66 1.19 -0.30 -0.32 0.08 -1.22 0.09 117.98 116.85 2a55 s PHE 90 Ca 0.00 -1.38 0.01 0.00 0.12 0.00 0.00 56.93 55.68 2a55 s PHE 90 Cb 0.00 -0.14 0.19 0.00 -0.57 0.00 0.00 43.02 42.51 2a55 s PHE 90 CO 0.00 -1.16 0.64 -1.54 -0.10 0.00 0.00 175.22 173.06 2a55 s SER 91 N -3.28 -1.42 -0.34 1.36 1.04 -1.21 -4.74 113.70 105.12 2a55 s SER 91 Ca 0.32 0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.93 2a55 s SER 91 Cb -0.01 2.02 0.02 0.00 0.10 0.00 0.00 66.02 68.15 2a55 s SER 91 CO 0.23 -0.26 1.14 0.00 0.98 0.00 0.00 173.24 175.32 2a55 n SER 93 N 7.21 -0.69 -4.60 0.00 3.41 -0.18 -4.51 113.62 114.26 2a55 n SER 93 Ca 0.13 -0.69 -0.64 0.00 -0.26 0.00 0.00 58.87 57.41 2a55 n SER 93 Cb 0.47 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.45 0.00 -0.73 4.33 2.13 -1.26 -0.70 120.64 122.96 2a55 n GLU 94 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2a55 n GLU 94 Cb 0.02 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.25 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 2.96 0.74 3.32 8.31 0.00 -1.26 -5.02 105.19 114.24 2a55 n GLY 95 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.68 -0.59 0.40 1.61 0.08 0.12 -1.09 117.98 115.83 2a55 s PHE 96 Ca 0.00 1.30 0.08 0.00 0.12 0.00 0.00 56.93 58.43 2a55 s PHE 96 Cb 0.00 0.25 -0.02 0.00 -0.57 0.00 0.00 43.02 42.68 2a55 s PHE 96 CO 0.00 -0.32 0.36 -0.59 -0.10 0.00 0.00 175.22 174.57 2a55 s PHE 97 N 1.02 2.76 0.07 0.36 -0.71 -1.26 -3.70 117.98 116.51 2a55 s PHE 97 Ca -0.06 -0.44 -0.24 0.00 -1.04 0.00 0.00 56.93 55.15 2a55 s PHE 97 Cb -0.06 -2.08 -0.06 0.00 -1.21 0.00 0.00 43.02 39.61 2a55 s PHE 97 CO -0.09 -0.04 0.72 -1.17 -1.34 0.00 0.00 175.22 173.29 2a55 s LEU 98 N -4.10 4.49 -0.27 -1.99 2.96 -1.26 -3.19 118.68 115.32 2a55 s LEU 98 Ca 0.46 1.42 -0.16 0.00 -0.22 0.00 0.00 54.13 55.63 2a55 s LEU 98 Cb -0.04 -3.15 0.08 0.00 0.50 0.00 0.00 46.19 43.58 2a55 s LEU 98 CO 0.28 0.10 0.67 -0.63 -1.32 0.00 0.00 176.35 175.44 2a55 s ILE 99 N -0.44 -0.00 0.00 6.68 1.01 -0.90 -4.99 121.20 122.55 2a55 s ILE 99 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2a55 s ILE 99 Cb -0.21 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2a55 s ILE 99 CO 0.22 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2a55 n GLY 100 N 4.11 2.48 0.00 6.18 0.00 -1.26 0.20 105.19 116.90 2a55 n GLY 100 Ca -0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.06 1.61 2.88 -1.26 -4.99 113.62 111.91 2a55 n SER 101 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2a55 n SER 101 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.42 -4.37 2.46 -2.24 -1.26 -4.61 114.28 105.67 2a55 n THR 102 Ca 0.00 0.47 -0.27 0.00 -2.27 0.00 0.00 64.05 61.98 2a55 n THR 102 Cb 0.00 -1.41 -0.11 0.00 -2.10 0.00 0.00 70.33 66.71 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 -3.17 2.65 -0.15 4.28 -4.23 -1.26 -3.37 115.64 110.39 2a55 s THR 103 Ca 0.01 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2a55 s THR 103 Cb 0.05 -2.28 0.07 0.00 1.34 0.00 0.00 72.50 71.68 2a55 s THR 103 CO 0.15 -0.09 0.26 -0.44 -0.54 0.00 0.00 174.62 173.96 2a55 s SER 104 N -2.66 0.53 0.52 3.99 0.01 -1.07 -4.94 113.70 110.09 2a55 s SER 104 Ca 0.22 0.42 0.07 0.00 1.31 0.00 0.00 55.95 57.97 2a55 s SER 104 Cb -0.08 0.67 0.07 0.00 0.21 0.00 0.00 66.02 66.89 2a55 s SER 104 CO 0.11 -0.26 0.59 0.54 0.41 0.00 0.00 173.24 174.63 2a55 n ARG 105 N 5.35 0.68 -4.04 12.44 1.74 -1.26 -0.54 116.66 131.03 2a55 n ARG 105 Ca -0.06 -3.01 -0.31 0.00 -0.77 0.00 0.00 57.85 53.70 2a55 n ARG 105 Cb 0.50 0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.80 2a55 n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a55 s GLU 107 N 1.29 2.28 -0.14 0.00 2.12 0.19 -4.25 118.70 120.18 2a55 s GLU 107 Ca -0.03 -1.31 0.02 0.00 0.36 0.00 0.00 54.97 54.01 2a55 s GLU 107 Cb -0.17 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.02 2a55 s GLU 107 CO -0.08 0.40 -0.19 0.08 -0.54 0.00 0.00 175.26 174.93 2a55 s VAL 108 N -2.06 2.30 -0.22 3.70 1.01 -1.26 0.14 120.40 124.01 2a55 s VAL 108 Ca 0.29 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2a55 s VAL 108 Cb -0.08 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2a55 s VAL 108 CO 0.19 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.75 2a55 s GLN 109 N 0.79 1.80 4.27 2.72 -2.07 0.81 -4.96 119.66 123.02 2a55 s GLN 109 Ca -0.07 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 2a55 s GLN 109 Cb -0.16 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 2a55 s GLN 109 CO -0.01 -0.54 0.00 -0.25 -1.32 0.00 0.00 175.29 173.18 2a55 n ASP 110 N 4.66 0.00 -0.85 12.60 9.92 -1.26 -0.75 116.55 140.88 2a55 n ASP 110 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 2a55 n ASP 110 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 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 13.08 0.70 -4.14 -1.24 3.00 -1.26 -4.74 116.66 122.06 2a55 n ARG 111 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.70 2a55 n ARG 111 Cb 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 32.46 31.14 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2a55 s GLY 112 N 0.60 0.74 0.09 -0.13 0.00 0.07 -5.16 107.32 103.54 2a55 s GLY 112 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 44.72 43.45 2a55 s GLY 112 CO 0.00 -1.16 0.45 0.54 0.00 0.00 0.00 173.10 172.93 2a55 s VAL 113 N -2.27 0.05 -2.28 1.40 0.11 -1.26 -0.13 120.40 116.02 2a55 s VAL 113 Ca 0.02 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2a55 s VAL 113 Cb -0.04 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2a55 s VAL 113 CO -0.01 -0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 2a55 n GLY 114 N 0.08 0.69 3.75 6.54 0.00 0.12 -4.39 105.19 111.98 2a55 n GLY 114 Ca -0.17 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 2a55 n GLY 114 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a55 s TRP 115 N -1.21 2.36 -0.08 1.61 0.52 -1.25 0.55 118.94 121.44 2a55 s TRP 115 Ca 0.00 1.37 0.20 0.00 0.02 0.00 0.00 56.10 57.69 2a55 s TRP 115 Cb 0.00 -3.78 -0.30 0.00 -1.15 0.00 0.00 33.47 28.24 2a55 s TRP 115 CO 0.00 -2.78 0.33 -1.13 0.02 0.00 0.00 176.95 173.39 2a55 n SER 116 N -0.85 0.20 -3.67 2.95 3.41 -1.23 -4.82 113.62 109.61 2a55 n SER 116 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.57 2a55 n SER 116 Cb 0.45 1.63 -0.13 0.00 -0.26 0.00 0.00 64.21 65.90 2a55 n SER 116 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2a55 s HIS 117 N -3.13 -0.39 0.00 7.33 3.76 -1.26 -5.13 115.29 116.47 2a55 s HIS 117 Ca -0.08 0.91 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 2a55 s HIS 117 Cb 0.11 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.76 2a55 s HIS 117 CO 0.85 -0.33 0.00 -0.35 -0.85 0.00 0.00 174.74 174.06 2a55 n PRO 118 N 5.18 3.65 -1.29 8.40 -0.04 -1.26 -4.73 135.00 144.91 2a55 n PRO 118 Ca -0.09 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.87 2a55 n PRO 118 Cb 0.50 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.63 0.00 1.53 7.99 -1.26 -4.95 117.00 120.94 2a55 n LEU 119 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 56.01 56.91 2a55 n LEU 119 Cb 0.00 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 42.62 2a55 n LEU 119 CO 0.00 -0.91 0.00 -0.81 -1.51 0.00 0.00 177.39 174.16 2a55 n PRO 120 N 2.47 1.20 -3.77 3.23 -0.04 -1.26 -5.04 135.00 131.78 2a55 n PRO 120 Ca 0.21 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.30 2a55 n PRO 120 Cb -0.01 0.00 -0.13 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 0.00 3.11 -0.50 0.54 -0.21 0.13 -4.94 119.66 117.79 2a55 s GLN 121 Ca 0.00 -0.84 -0.16 0.00 0.02 0.00 0.00 55.36 54.38 2a55 s GLN 121 Cb 0.00 -3.35 0.10 0.00 1.00 0.00 0.00 33.01 30.76 2a55 s GLN 121 CO 0.00 -0.42 0.45 0.00 -2.12 0.00 0.00 175.29 173.20 2a55 n GLU 123 N 5.28 0.94 -3.65 0.00 2.13 -1.19 -4.85 120.64 119.30 2a55 n GLU 123 Ca -0.13 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.65 2a55 n GLU 123 Cb 0.42 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.07 2a55 n GLU 123 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2a55 s ILE 124 N 0.00 -0.65 -0.04 6.31 2.07 -1.25 -4.41 121.20 123.23 2a55 s ILE 124 Ca 0.00 0.02 0.27 0.00 -1.41 0.00 0.00 60.65 59.53 2a55 s ILE 124 Cb 0.00 -0.95 0.27 0.00 0.13 0.00 0.00 42.46 41.92 2a55 s ILE 124 CO 0.00 0.01 1.82 -0.07 -1.91 0.00 0.00 174.94 174.79 2a55 h LEU 125 N 7.71 0.00 -1.90 8.50 3.38 -1.46 -3.47 115.31 128.08 2a55 h LEU 125 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2a55 h LEU 125 Cb 1.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2a55 h LEU 125 CO 0.13 0.00 -1.29 1.21 0.09 0.00 0.00 178.44 178.58 2a55 n GLU 126 N -2.45 -4.82 0.00 1.13 4.07 -1.26 -5.01 120.64 112.30 2a55 n GLU 126 Ca -0.01 3.57 0.00 0.00 -0.06 0.00 0.00 57.16 60.66 2a55 n GLU 126 Cb 0.07 -4.84 0.00 0.00 -0.06 0.00 0.00 31.44 26.61 2a55 n GLU 126 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 2a55 n HIS 127 N 1.74 0.00 -0.05 4.31 1.44 -1.26 -5.03 115.22 116.36 2a55 n HIS 127 Ca -0.22 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.46 2a55 n HIS 127 Cb 0.34 0.03 -0.01 0.00 0.12 0.00 0.00 29.99 30.47 2a55 n HIS 127 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 h HIS 128 N 0.00 0.00 -3.17 -1.40 3.86 -1.99 -3.51 115.15 108.95 2a55 h HIS 128 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2a55 h HIS 128 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2a55 h HIS 128 CO 0.00 0.00 -0.70 0.72 0.86 0.00 0.00 177.93 178.81 2a55 n HIS 129 N -4.17 -3.60 0.00 2.45 -0.00 -1.26 -5.02 115.22 103.62 2a55 n HIS 129 Ca -0.05 1.97 0.00 0.00 -0.00 0.00 0.00 57.72 59.64 2a55 n HIS 129 Cb 0.18 -3.16 0.00 0.00 -0.00 0.00 0.00 29.99 27.01 2a55 n HIS 129 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a55 n HIS 130 N 0.62 0.00 -3.11 4.41 8.25 -1.26 -5.06 115.22 119.07 2a55 n HIS 130 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2a55 n HIS 130 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2a55 n HIS 130 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2a55 s HIS 131 N -1.56 3.56 -2.00 4.41 -3.43 -1.26 -5.35 115.29 109.67 2a55 s HIS 131 Ca 0.00 1.34 0.31 0.00 -0.80 0.00 0.00 55.06 55.91 2a55 s HIS 131 Cb 0.00 -2.60 1.84 0.00 -1.43 0.00 0.00 32.58 30.39 2a55 s HIS 131 CO 0.00 0.26 2.17 1.58 -2.00 0.00 0.00 174.74 176.74