#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 6.44 0.55 7.83 -0.87 -1.26 -3.36 114.94 124.26 2a55 s ASN 1 Ca 0.00 0.45 0.06 0.00 -1.57 0.00 0.00 52.86 51.80 2a55 s ASN 1 Cb 0.00 -2.04 0.06 0.00 -0.02 0.00 0.00 41.25 39.25 2a55 s ASN 1 CO 0.00 0.16 0.76 0.00 -2.57 0.00 0.00 177.10 175.44 2a55 s GLY 3 N -4.54 1.62 0.20 0.00 0.00 -1.24 -4.19 107.32 99.18 2a55 s GLY 3 Ca 0.60 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 2a55 s GLY 3 CO 0.38 0.12 0.83 -1.05 0.00 0.00 0.00 173.10 173.38 2a55 n PRO 4 N -3.31 0.61 -1.68 2.90 -0.02 -1.24 -4.79 135.00 127.47 2a55 n PRO 4 Ca 0.07 0.21 -0.47 0.00 -2.02 0.00 0.00 63.50 61.29 2a55 n PRO 4 Cb 0.57 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.09 2.26 -0.92 0.52 -0.02 -1.26 -4.97 135.00 131.70 2a55 n PRO 5 Ca 0.15 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 2a55 n PRO 5 Cb 0.26 -2.68 0.26 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.74 -1.85 -0.16 0.52 0.04 -1.26 -5.02 135.00 131.01 2a55 s PRO 6 Ca 0.91 -0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.70 2a55 s PRO 6 Cb -0.66 -1.53 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2a55 s PRO 6 CO 0.49 -4.12 0.27 0.99 0.04 0.00 0.00 177.00 174.67 2a55 s THR 7 N -2.85 5.32 -0.35 1.26 2.01 -1.26 -5.06 115.64 114.70 2a55 s THR 7 Ca 0.71 0.50 -0.07 0.00 0.31 0.00 0.00 61.69 63.15 2a55 s THR 7 Cb -0.09 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.86 2a55 s THR 7 CO 0.56 0.41 0.12 -0.76 -0.69 0.00 0.00 174.62 174.26 2a55 s LEU 8 N 0.32 4.40 0.00 4.42 1.02 -1.26 -4.94 118.68 122.64 2a55 s LEU 8 Ca 0.16 -1.18 0.13 0.00 0.02 0.00 0.00 54.13 53.25 2a55 s LEU 8 Cb -0.13 -1.88 0.73 0.00 0.02 0.00 0.00 46.19 44.93 2a55 s LEU 8 CO 0.03 -0.35 1.26 -1.54 0.02 0.00 0.00 176.35 175.78 2a55 n SER 9 N 4.81 0.00 -0.39 2.29 3.41 -1.26 -1.19 113.62 121.30 2a55 n SER 9 Ca -0.12 -0.20 0.06 0.00 -0.26 0.00 0.00 58.87 58.35 2a55 n SER 9 Cb 0.44 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.12 0.00 -3.53 7.33 -1.74 -1.26 -4.97 117.46 112.17 2a55 n PHE 10 Ca 0.08 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.85 2a55 n PHE 10 Cb 0.07 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.03 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 -1.33 -1.31 0.06 1.98 0.00 -0.33 -4.58 121.76 116.24 2a55 s ALA 11 Ca 0.12 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.46 2a55 s ALA 11 Cb 0.10 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 2a55 s ALA 11 CO 0.24 -0.67 -0.13 0.00 0.00 0.00 0.00 175.76 175.20 2a55 s ALA 12 N -3.49 1.04 0.56 0.00 0.00 -0.42 -4.14 121.76 115.30 2a55 s ALA 12 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 2a55 s ALA 12 Cb 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 2a55 s ALA 12 CO -0.10 0.14 0.60 -2.30 0.00 0.00 0.00 175.76 174.10 2a55 n PRO 13 N 1.48 0.59 0.00 0.00 -0.02 -1.26 -0.56 135.00 135.23 2a55 n PRO 13 Ca -0.21 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2a55 n PRO 13 Cb 0.54 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 -0.13 0.16 -2.97 -0.52 1.56 -1.26 -4.58 117.12 109.37 2a55 n MET 14 Ca 0.12 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.47 -0.01 0.00 0.00 2.15 0.00 0.00 33.22 35.83 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 -1.20 0.00 6.12 2.15 -1.26 -4.84 116.67 117.64 2a55 s ASP 15 Ca 0.00 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.09 2a55 s ASP 15 Cb 0.00 1.55 0.00 0.00 -0.30 0.00 0.00 42.92 44.17 2a55 s ASP 15 CO 0.00 -0.10 0.00 0.00 -0.17 0.00 0.00 175.17 174.90 2a55 n ILE 16 N 3.75 0.00 -1.64 4.11 3.06 -1.26 -3.97 119.36 123.40 2a55 n ILE 16 Ca 0.12 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.94 2a55 n ILE 16 Cb 0.59 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.73 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2a55 n THR 17 N 0.00 0.64 0.80 9.51 -2.24 -1.26 -4.79 114.28 116.94 2a55 n THR 17 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2a55 n THR 17 Cb 0.00 -2.30 0.00 0.00 -2.10 0.00 0.00 70.33 65.93 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 8.38 1.50 0.14 3.22 7.99 -1.26 -3.59 117.00 133.39 2a55 n LEU 18 Ca 0.23 -0.75 0.13 0.00 -0.01 0.00 0.00 56.01 55.61 2a55 n LEU 18 Cb 0.40 -0.40 0.41 0.00 -0.11 0.00 0.00 43.42 43.72 2a55 n LEU 18 CO 0.69 0.29 0.88 0.71 -1.51 0.00 0.00 177.39 178.44 2a55 h THR 19 N 0.09 0.00 -0.57 -5.08 1.35 -2.03 -3.45 112.91 103.22 2a55 h THR 19 Ca 0.00 -0.50 -0.57 0.00 -0.55 0.00 0.00 66.41 64.79 2a55 h THR 19 Cb 0.58 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.40 2a55 h THR 19 CO 0.00 0.00 -0.26 -1.61 -0.25 0.00 0.00 175.52 173.40 2a55 s GLU 20 N -3.21 2.26 0.00 4.72 2.02 -1.24 -5.06 118.70 118.19 2a55 s GLU 20 Ca 0.08 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.10 2a55 s GLU 20 Cb 0.10 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.14 2a55 s GLU 20 CO 0.56 -0.68 0.00 0.25 0.02 0.00 0.00 175.26 175.41 2a55 n THR 21 N -1.86 0.00 -4.44 3.63 -2.24 -1.26 -5.08 114.28 103.03 2a55 n THR 21 Ca 0.01 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 2a55 n THR 21 Cb 0.64 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.84 1.57 -0.21 -0.78 0.52 -1.26 -3.68 118.95 114.26 2a55 s ARG 22 Ca 0.00 -1.61 -0.04 0.00 -0.52 0.00 0.00 55.73 53.57 2a55 s ARG 22 Cb 0.00 -1.81 0.10 0.00 0.52 0.00 0.00 34.95 33.76 2a55 s ARG 22 CO 0.00 0.37 0.23 -0.06 0.02 0.00 0.00 175.30 175.86 2a55 s PHE 23 N -1.96 -0.28 1.17 -0.53 0.40 -1.26 -5.00 117.98 110.52 2a55 s PHE 23 Ca 0.24 0.16 -0.17 0.00 -0.60 0.00 0.00 56.93 56.56 2a55 s PHE 23 Cb -0.07 -0.38 0.19 0.00 0.51 0.00 0.00 43.02 43.27 2a55 s PHE 23 CO 0.11 -0.64 0.38 0.36 0.70 0.00 0.00 175.22 176.13 2a55 n LYS 24 N 5.32 -2.23 0.00 0.44 -0.00 -1.26 -3.32 118.16 117.11 2a55 n LYS 24 Ca -0.05 -0.63 0.06 0.00 -0.00 0.00 0.00 58.31 57.68 2a55 n LYS 24 Cb 0.49 -1.83 0.28 0.00 -0.00 0.00 0.00 35.03 33.97 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 25 N -4.73 0.96 -0.79 0.58 -2.24 -1.21 -1.91 114.28 104.93 2a55 n THR 25 Ca 0.02 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 2a55 n THR 25 Cb 0.58 -1.03 0.37 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.25 3.01 3.95 3.38 0.00 -1.26 -4.25 105.19 109.76 2a55 n GLY 26 Ca 0.04 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.38 5.27 -0.27 2.61 -1.32 -0.80 -5.04 115.64 113.70 2a55 s THR 27 Ca 0.52 -0.83 -0.11 0.00 -1.21 0.00 0.00 61.69 60.06 2a55 s THR 27 Cb 0.37 -3.77 0.10 0.00 -1.51 0.00 0.00 72.50 67.69 2a55 s THR 27 CO 0.19 -0.19 0.60 -0.89 -2.21 0.00 0.00 174.62 172.12 2a55 s THR 28 N -1.84 -0.55 0.84 5.08 2.01 -1.26 -3.61 115.64 116.31 2a55 s THR 28 Ca 0.34 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 2a55 s THR 28 Cb -0.10 -0.91 0.17 0.00 0.01 0.00 0.00 72.50 71.67 2a55 s THR 28 CO 0.29 0.01 1.14 -0.76 -0.69 0.00 0.00 174.62 174.61 2a55 s LEU 29 N 2.33 2.87 0.00 4.42 1.02 -0.33 -4.91 118.68 124.08 2a55 s LEU 29 Ca -0.07 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.84 2a55 s LEU 29 Cb -0.10 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.22 2a55 s LEU 29 CO -0.18 -2.32 0.00 1.17 0.02 0.00 0.00 176.35 175.05 2a55 n LYS 30 N -3.25 0.00 -1.21 1.70 3.00 -1.25 -3.93 118.16 113.21 2a55 n LYS 30 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2a55 n LYS 30 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.60 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 -1.42 -3.34 -4.16 5.64 4.02 -1.26 -4.27 117.16 112.37 2a55 n TYR 31 Ca 0.00 1.79 -0.25 0.00 -0.01 0.00 0.00 57.90 59.42 2a55 n TYR 31 Cb 0.00 -2.91 -0.07 0.00 -0.02 0.00 0.00 39.34 36.34 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 -3.43 2.17 -0.23 -0.72 -1.32 0.28 -4.86 115.64 107.53 2a55 s THR 32 Ca 0.00 -1.71 0.02 0.00 -1.21 0.00 0.00 61.69 58.80 2a55 s THR 32 Cb 0.00 -2.88 0.05 0.00 -1.51 0.00 0.00 72.50 68.16 2a55 s THR 32 CO 0.00 0.00 -0.13 0.00 -2.21 0.00 0.00 174.62 172.28 2a55 n LEU 34 N 4.52 0.39 -2.20 0.00 4.77 -1.26 -4.61 117.00 118.60 2a55 n LEU 34 Ca -0.16 0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 2a55 n LEU 34 Cb 0.44 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2a55 n LEU 34 CO 0.22 -0.54 0.35 -2.65 -1.33 0.00 0.00 177.39 173.44 2a55 n PRO 35 N 5.74 0.00 0.00 3.23 -0.02 -1.26 -2.75 135.00 139.94 2a55 n PRO 35 Ca 0.43 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2a55 n PRO 35 Cb -0.01 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N 1.06 3.10 0.00 -1.23 0.00 -1.26 -5.07 105.19 101.79 2a55 n GLY 36 Ca 0.11 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2a55 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a55 n TYR 37 N 0.00 0.00 -4.13 1.61 4.01 -1.11 -4.85 117.16 112.69 2a55 n TYR 37 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 2a55 n TYR 37 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 2a55 n TYR 37 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2a55 s VAL 38 N 0.00 4.33 0.00 -0.72 1.01 -1.26 -4.83 120.40 118.92 2a55 s VAL 38 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.55 2a55 s VAL 38 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2a55 s VAL 38 CO 0.00 -0.33 0.00 -1.14 0.00 0.00 0.00 175.10 173.63 2a55 n ARG 39 N -1.06 0.00 0.00 2.72 0.63 -1.26 -3.57 116.66 114.12 2a55 n ARG 39 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2a55 n ARG 39 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 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 0.00 0.00 -4.73 6.15 2.88 -1.26 -4.56 113.62 112.10 2a55 n SER 40 Ca 0.00 0.00 -0.62 0.00 -1.33 0.00 0.00 58.87 56.92 2a55 n SER 40 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.00 1.91 -0.40 0.66 1.44 0.87 -2.94 115.22 116.76 2a55 n HIS 41 Ca 0.00 0.83 0.00 0.00 -2.01 0.00 0.00 57.72 56.54 2a55 n HIS 41 Cb 0.00 -2.35 0.00 0.00 0.12 0.00 0.00 29.99 27.76 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2a55 n SER 42 N 4.72 0.00 0.00 4.39 7.64 -1.23 -4.90 113.62 124.24 2a55 n SER 42 Ca 0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.17 2a55 n SER 42 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2a55 n THR 43 N 0.00 0.00 0.00 0.44 -1.04 -1.26 -4.94 114.28 107.48 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 1.67 -0.64 0.00 0.00 175.07 176.10 2a55 n GLN 44 N 0.00 0.00 -3.74 -2.82 7.27 -1.26 -4.68 117.38 112.14 2a55 n GLN 44 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2a55 n GLN 44 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2a55 s THR 45 N 0.00 0.00 -0.23 1.69 -4.23 -1.26 -4.61 115.64 107.01 2a55 s THR 45 Ca 0.00 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2a55 s THR 45 Cb 0.00 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 2a55 s THR 45 CO 0.00 -0.02 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.27 2a55 s LEU 46 N 0.06 2.98 0.20 4.79 1.02 -1.25 -4.81 118.68 121.66 2a55 s LEU 46 Ca -0.01 -0.39 0.11 0.00 0.02 0.00 0.00 54.13 53.86 2a55 s LEU 46 Cb -0.03 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 2a55 s LEU 46 CO 0.01 -0.03 -0.23 -0.89 0.02 0.00 0.00 176.35 175.23 2a55 s THR 47 N 1.49 2.31 -0.27 5.49 2.01 -1.25 -1.18 115.64 124.24 2a55 s THR 47 Ca 0.06 -2.05 -0.20 0.00 0.31 0.00 0.00 61.69 59.81 2a55 s THR 47 Cb -0.14 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 2a55 s THR 47 CO -0.02 -0.16 0.60 0.00 -0.69 0.00 0.00 174.62 174.35 2a55 s ASN 49 N 1.53 4.81 -1.32 0.00 4.22 -1.21 -4.18 114.94 118.80 2a55 s ASN 49 Ca 0.25 -0.60 -0.07 0.00 -2.14 0.00 0.00 52.86 50.29 2a55 s ASN 49 Cb -0.15 0.09 0.01 0.00 1.28 0.00 0.00 41.25 42.47 2a55 s ASN 49 CO 0.09 -1.53 2.72 -0.24 -2.04 0.00 0.00 177.10 176.11 2a55 n SER 50 N -2.48 8.10 0.00 3.54 2.88 -1.26 -3.32 113.62 121.07 2a55 n SER 50 Ca 0.15 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 2a55 n SER 50 Cb 0.61 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 2.48 0.00 -1.44 -3.46 -0.08 -1.26 -4.99 116.55 107.80 2a55 n ASP 51 Ca 0.67 -1.00 -0.19 0.00 -1.51 0.00 0.00 54.79 52.77 2a55 n ASP 51 Cb 0.30 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.68 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 1.78 3.27 0.27 0.00 -1.21 -4.95 105.19 104.35 2a55 n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.58 1.10 -0.47 1.61 -1.05 -1.26 -3.71 118.70 111.33 2a55 s GLU 53 Ca 0.00 -1.29 -0.24 0.00 -0.15 0.00 0.00 54.97 53.28 2a55 s GLU 53 Cb 0.00 -1.03 0.03 0.00 -0.44 0.00 0.00 34.13 32.69 2a55 s GLU 53 CO 0.00 0.20 0.86 -1.58 0.95 0.00 0.00 175.26 175.69 2a55 s TRP 54 N -2.14 2.93 0.06 4.83 0.52 -1.26 -3.31 118.94 120.57 2a55 s TRP 54 Ca 0.11 0.22 -0.05 0.00 0.02 0.00 0.00 56.10 56.40 2a55 s TRP 54 Cb -0.05 -3.85 -0.05 0.00 -1.15 0.00 0.00 33.47 28.37 2a55 s TRP 54 CO 0.04 -1.09 0.29 0.08 0.02 0.00 0.00 176.95 176.29 2a55 s VAL 55 N 3.57 5.28 0.00 4.03 1.01 -1.18 -4.97 120.40 128.14 2a55 s VAL 55 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.32 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 0.24 0.23 0.00 0.00 0.00 0.00 0.00 175.10 175.56 2a55 n TYR 56 N 0.65 0.00 -2.69 5.22 0.18 -1.26 -3.80 117.16 115.46 2a55 n TYR 56 Ca -0.07 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.49 2a55 n TYR 56 Cb 0.52 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.51 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 5.36 -0.08 9.48 0.02 -1.26 -5.07 114.94 123.39 2a55 s ASN 57 Ca 0.00 0.03 -0.22 0.00 -1.02 0.00 0.00 52.86 51.65 2a55 s ASN 57 Cb 0.00 -0.97 -0.04 0.00 0.02 0.00 0.00 41.25 40.26 2a55 s ASN 57 CO 0.00 -1.07 0.63 -0.89 0.02 0.00 0.00 177.10 175.78 2a55 s THR 58 N -2.73 5.08 0.00 1.60 2.01 -1.26 -4.77 115.64 115.56 2a55 s THR 58 Ca 0.56 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.85 2a55 s THR 58 Cb -0.10 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.44 2a55 s THR 58 CO 0.38 0.29 0.00 2.22 -0.69 0.00 0.00 174.62 176.82 2a55 n PHE 59 N 3.67 0.00 -3.74 4.92 -1.74 -1.15 -3.50 117.46 115.92 2a55 n PHE 59 Ca -0.03 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.72 2a55 n PHE 59 Cb 0.51 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.43 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ILE 61 N 1.17 0.00 -1.36 0.00 -5.35 -1.23 -4.71 119.36 107.88 2a55 n ILE 61 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2a55 n ILE 61 Cb 0.56 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.22 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -2.01 -2.69 -3.21 4.28 4.19 -1.26 -4.85 117.16 111.61 2a55 n TYR 62 Ca 0.00 1.62 0.04 0.00 3.31 0.00 0.00 57.90 62.87 2a55 n TYR 62 Cb 0.00 -2.92 -0.02 0.00 0.49 0.00 0.00 39.34 36.89 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 -1.71 0.39 0.57 2.98 -2.85 -1.26 -4.85 119.74 113.00 2a55 s LYS 63 Ca 0.00 0.75 -0.00 0.00 -1.00 0.00 0.00 55.97 55.72 2a55 s LYS 63 Cb 0.00 0.42 0.11 0.00 -2.06 0.00 0.00 37.83 36.31 2a55 s LYS 63 CO 0.00 -0.37 0.78 2.89 0.10 0.00 0.00 175.35 178.75 2a55 n ARG 64 N 5.40 0.06 -3.99 1.78 0.00 -1.26 -4.35 116.66 114.29 2a55 n ARG 64 Ca -0.05 -2.13 -0.27 0.00 -0.00 0.00 0.00 57.85 55.40 2a55 n ARG 64 Cb 0.52 -0.51 -0.01 0.00 -0.00 0.00 0.00 32.46 32.45 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 -4.25 4.24 0.19 0.00 6.06 -1.26 -4.91 118.95 119.02 2a55 s ARG 66 Ca 0.30 0.78 -0.32 0.00 -2.50 0.00 0.00 55.73 53.99 2a55 s ARG 66 Cb -0.02 -3.24 -0.12 0.00 0.06 0.00 0.00 34.95 31.63 2a55 s ARG 66 CO 0.19 0.62 1.74 0.72 -2.50 0.00 0.00 175.30 176.08 2a55 n HIS 67 N 1.74 2.71 0.30 5.12 8.25 -1.26 -4.86 115.22 127.22 2a55 n HIS 67 Ca -0.10 0.01 0.17 0.00 -0.26 0.00 0.00 57.72 57.54 2a55 n HIS 67 Cb 0.51 -2.68 0.96 0.00 1.12 0.00 0.00 29.99 29.90 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a55 h PRO 68 N 7.13 0.00 0.00 -0.41 0.13 -1.99 -3.48 132.00 133.38 2a55 h PRO 68 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.95 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2a55 n GLY 69 N -1.14 -1.35 3.75 1.56 0.00 -1.26 -4.59 105.19 102.15 2a55 n GLY 69 Ca -0.03 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 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 4.70 -0.56 1.61 2.56 -1.26 -4.85 118.70 120.89 2a55 s GLU 70 Ca 0.00 1.36 -0.18 0.00 0.00 0.00 0.00 54.97 56.15 2a55 s GLU 70 Cb 0.00 -3.33 0.10 0.00 2.00 0.00 0.00 34.13 32.90 2a55 s GLU 70 CO 0.00 0.38 0.65 -1.17 -0.56 0.00 0.00 175.26 174.55 2a55 s LEU 71 N -0.57 5.45 0.04 2.70 0.20 -1.26 -4.98 118.68 120.26 2a55 s LEU 71 Ca 0.42 -1.40 -0.30 0.00 0.69 0.00 0.00 54.13 53.54 2a55 s LEU 71 Cb -0.24 -2.31 -0.08 0.00 -0.43 0.00 0.00 46.19 43.14 2a55 s LEU 71 CO 0.29 -1.02 1.66 -0.60 -0.29 0.00 0.00 176.35 176.39 2a55 s ARG 72 N 2.47 4.20 -1.21 1.98 3.52 -1.26 -1.02 118.95 127.62 2a55 s ARG 72 Ca 0.10 2.31 -0.06 0.00 -0.13 0.00 0.00 55.73 57.95 2a55 s ARG 72 Cb -0.24 -3.70 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 2a55 s ARG 72 CO 0.07 -0.76 1.05 0.09 -0.81 0.00 0.00 175.30 174.94 2a55 n ASN 73 N 5.96 -4.92 -3.50 -2.12 3.02 -1.26 -4.72 115.26 107.72 2a55 n ASN 73 Ca 0.16 -0.52 -0.01 0.00 -0.03 0.00 0.00 54.58 54.18 2a55 n ASN 73 Cb 0.41 -4.72 0.02 0.00 -0.61 0.00 0.00 39.78 34.88 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 -3.57 0.05 -0.02 7.41 0.00 -0.19 -2.63 107.32 108.37 2a55 s GLY 74 Ca 0.39 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.88 2a55 s GLY 74 CO 0.67 3.61 -0.04 1.20 0.00 0.00 0.00 173.10 178.55 2a55 s GLN 75 N -2.08 0.51 -0.39 2.90 -0.21 0.45 -4.47 119.66 116.36 2a55 s GLN 75 Ca 0.25 -0.11 -0.09 0.00 0.02 0.00 0.00 55.36 55.42 2a55 s GLN 75 Cb -0.02 -0.54 0.06 0.00 1.00 0.00 0.00 33.01 33.51 2a55 s GLN 75 CO 0.04 0.01 0.22 0.54 -2.12 0.00 0.00 175.29 173.97 2a55 s VAL 76 N 0.40 4.28 -0.68 1.09 0.11 -1.26 0.12 120.40 124.45 2a55 s VAL 76 Ca -0.04 -1.18 -0.26 0.00 -2.93 0.00 0.00 61.98 57.57 2a55 s VAL 76 Cb -0.08 -3.52 -0.07 0.00 -1.53 0.00 0.00 36.38 31.19 2a55 s VAL 76 CO -0.00 -0.37 2.15 -0.70 -3.33 0.00 0.00 175.10 172.85 2a55 s GLU 77 N 1.47 2.23 -0.12 1.54 2.12 0.07 -4.93 118.70 121.07 2a55 s GLU 77 Ca 0.02 0.60 -0.00 0.00 0.36 0.00 0.00 54.97 55.95 2a55 s GLU 77 Cb -0.21 -4.68 -0.02 0.00 0.26 0.00 0.00 34.13 29.48 2a55 s GLU 77 CO 0.04 -3.41 -0.12 0.42 -0.54 0.00 0.00 175.26 171.64 2a55 s ILE 78 N 11.45 3.11 0.00 -3.70 -1.09 -1.26 -4.25 121.20 125.47 2a55 s ILE 78 Ca 0.82 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2a55 s ILE 78 Cb -0.13 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 2a55 s ILE 78 CO 0.15 0.53 0.00 2.29 -1.23 0.00 0.00 174.94 176.67 2a55 n LYS 79 N 3.41 0.00 0.00 2.79 0.00 -1.26 -4.91 118.16 118.19 2a55 n LYS 79 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2a55 n LYS 79 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 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 -2.23 0.00 -0.88 0.58 -2.24 -1.26 -4.80 114.28 103.45 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 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 -0.46 -4.63 -2.62 3.42 8.00 -1.26 -2.05 116.55 116.94 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 0.01 -3.23 0.05 0.00 -0.02 0.00 0.00 41.12 37.94 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 -3.88 -1.08 0.64 7.99 -1.26 -4.51 117.00 114.90 2a55 n LEU 82 Ca 0.00 -0.44 -0.03 0.00 -0.01 0.00 0.00 56.01 55.54 2a55 n LEU 82 Cb 0.39 -2.26 0.04 0.00 -0.11 0.00 0.00 43.42 41.48 2a55 n LEU 82 CO 0.00 0.16 0.56 -1.54 -1.51 0.00 0.00 177.39 175.05 2a55 n SER 83 N -2.52 2.77 -1.69 -1.43 3.41 -0.87 -1.91 113.62 111.38 2a55 n SER 83 Ca -0.12 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 2a55 n SER 83 Cb 0.59 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a55 n PHE 84 N 0.19 -4.43 -0.89 7.33 -0.00 -1.26 -4.48 117.46 113.92 2a55 n PHE 84 Ca 0.09 2.36 0.00 0.00 -0.00 0.00 0.00 57.45 59.90 2a55 n PHE 84 Cb 0.62 -3.50 0.00 0.00 -0.00 0.00 0.00 39.48 36.60 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 -0.85 0.50 0.00 7.13 0.00 -1.24 -4.89 105.19 105.84 2a55 n GLY 85 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2a55 n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 86 N -0.39 0.00 0.00 1.61 7.64 -1.26 -5.05 113.62 116.18 2a55 n SER 86 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a55 n SER 86 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2a55 n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a55 n GLN 87 N 0.00 0.00 -3.83 1.43 -0.00 -1.25 -4.04 117.38 109.69 2a55 n GLN 87 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.70 2a55 n GLN 87 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 30.24 30.10 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 1.53 1.30 -0.39 -4.36 -0.51 -4.90 121.20 111.89 2a55 s ILE 88 Ca 0.00 -2.10 -0.19 0.00 -0.26 0.00 0.00 60.65 58.10 2a55 s ILE 88 Cb 0.00 -2.12 0.31 0.00 1.25 0.00 0.00 42.46 41.89 2a55 s ILE 88 CO 0.00 -0.72 0.74 -0.62 0.24 0.00 0.00 174.94 174.58 2a55 n GLU 89 N 4.23 -3.63 -4.36 0.37 1.02 -1.26 -4.01 120.64 113.01 2a55 n GLU 89 Ca 0.03 -1.06 -0.23 0.00 -0.02 0.00 0.00 57.16 55.87 2a55 n GLU 89 Cb 0.39 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2a55 n PHE 90 N -5.30 -0.32 -3.25 -0.32 3.01 -1.05 -0.75 117.46 109.48 2a55 n PHE 90 Ca 0.08 -2.76 0.03 0.00 1.01 0.00 0.00 57.45 55.81 2a55 n PHE 90 Cb 0.55 0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 40.14 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2a55 s SER 91 N -3.47 -1.29 -0.18 4.37 0.01 0.12 -4.88 113.70 108.38 2a55 s SER 91 Ca 0.31 0.99 -0.26 0.00 1.31 0.00 0.00 55.95 58.30 2a55 s SER 91 Cb 0.01 2.16 -0.01 0.00 0.21 0.00 0.00 66.02 68.39 2a55 s SER 91 CO 0.22 -0.25 0.87 0.00 0.41 0.00 0.00 173.24 174.48 2a55 n SER 93 N 5.47 -2.68 -4.42 0.00 7.64 -1.08 -4.67 113.62 113.88 2a55 n SER 93 Ca 0.06 -0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2a55 n SER 93 Cb 0.48 -0.87 0.04 0.00 -1.01 0.00 0.00 64.21 62.86 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 -0.75 0.35 0.00 1.43 4.07 -1.26 -1.71 120.64 122.77 2a55 n GLU 94 Ca 0.01 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 2a55 n GLU 94 Cb 0.64 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a55 n GLY 95 N 1.91 1.38 3.40 8.31 0.00 -1.26 -4.90 105.19 114.03 2a55 n GLY 95 Ca 0.10 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 2.93 0.52 1.61 0.08 -0.69 -0.08 117.98 122.34 2a55 s PHE 96 Ca 0.00 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.45 2a55 s PHE 96 Cb 0.00 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2a55 s PHE 96 CO 0.00 -0.25 0.74 -0.59 -0.10 0.00 0.00 175.22 175.01 2a55 s PHE 97 N 0.70 2.92 0.10 0.36 -0.71 -1.03 -3.85 117.98 116.47 2a55 s PHE 97 Ca -0.04 -0.00 -0.20 0.00 -1.04 0.00 0.00 56.93 55.65 2a55 s PHE 97 Cb -0.15 -2.64 -0.07 0.00 -1.21 0.00 0.00 43.02 38.95 2a55 s PHE 97 CO 0.02 -0.74 0.62 -1.17 -1.34 0.00 0.00 175.22 172.60 2a55 s LEU 98 N -4.69 4.52 -0.27 -1.99 0.20 -1.26 -3.66 118.68 111.52 2a55 s LEU 98 Ca 0.55 1.33 -0.03 0.00 0.69 0.00 0.00 54.13 56.68 2a55 s LEU 98 Cb -0.10 -3.04 0.16 0.00 -0.43 0.00 0.00 46.19 42.78 2a55 s LEU 98 CO 0.38 0.24 0.50 -0.63 -0.29 0.00 0.00 176.35 176.55 2a55 s ILE 99 N -1.17 -0.82 0.00 6.68 1.01 -1.06 -4.97 121.20 120.87 2a55 s ILE 99 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2a55 s ILE 99 Cb -0.20 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.37 2a55 s ILE 99 CO 0.20 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2a55 n GLY 100 N 5.40 0.67 0.00 6.18 0.00 -1.26 0.14 105.19 116.32 2a55 n GLY 100 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.09 1.61 2.88 -1.26 -5.01 113.62 111.93 2a55 n SER 101 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2a55 n SER 101 Cb 0.00 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 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 1.31 -4.37 2.46 -2.24 -1.26 -4.57 114.28 105.61 2a55 n THR 102 Ca 0.00 0.56 -0.26 0.00 -2.27 0.00 0.00 64.05 62.08 2a55 n THR 102 Cb 0.00 -1.53 -0.10 0.00 -2.10 0.00 0.00 70.33 66.60 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 -3.30 2.78 -0.20 4.28 -4.23 -1.26 -2.52 115.64 111.19 2a55 s THR 103 Ca -0.00 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2a55 s THR 103 Cb 0.05 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.60 2a55 s THR 103 CO 0.17 -0.20 0.29 -0.44 -0.54 0.00 0.00 174.62 173.90 2a55 s SER 104 N -3.00 0.76 0.05 3.99 0.01 -1.26 -4.91 113.70 109.34 2a55 s SER 104 Ca 0.25 0.12 -0.08 0.00 1.31 0.00 0.00 55.95 57.55 2a55 s SER 104 Cb -0.07 0.72 -0.05 0.00 0.21 0.00 0.00 66.02 66.82 2a55 s SER 104 CO 0.14 -0.30 0.33 -0.13 0.41 0.00 0.00 173.24 173.69 2a55 s ARG 105 N 2.43 3.66 -0.35 12.44 0.52 -1.26 -1.42 118.95 134.96 2a55 s ARG 105 Ca 0.07 0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.14 2a55 s ARG 105 Cb -0.15 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2a55 s ARG 105 CO -0.13 0.60 0.45 0.00 0.02 0.00 0.00 175.30 176.25 2a55 n GLU 107 N 5.61 1.38 -3.80 0.00 4.07 -0.17 -3.62 120.64 124.10 2a55 n GLU 107 Ca -0.06 -1.78 -0.14 0.00 -0.06 0.00 0.00 57.16 55.12 2a55 n GLU 107 Cb 0.49 0.45 -0.15 0.00 -0.06 0.00 0.00 31.44 32.16 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -1.83 -0.04 -0.05 6.31 1.01 -1.26 0.19 120.40 124.74 2a55 s VAL 108 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2a55 s VAL 108 Cb -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 36.38 36.37 2a55 s VAL 108 CO 0.01 0.07 0.64 0.00 0.00 0.00 0.00 175.10 175.82 2a55 n GLN 109 N 3.89 0.19 0.00 2.72 10.64 -1.26 -4.67 117.38 128.90 2a55 n GLN 109 Ca -0.24 -0.17 0.00 0.00 -1.83 0.00 0.00 57.00 54.76 2a55 n GLN 109 Cb 0.53 0.07 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 2a55 n GLN 109 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2a55 n ASP 110 N -0.22 0.00 -1.91 2.61 2.03 -1.26 -4.90 116.55 112.90 2a55 n ASP 110 Ca -0.03 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.13 2a55 n ASP 110 Cb 0.55 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.97 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a55 n ARG 111 N 0.00 1.78 -0.07 -0.67 1.74 -1.26 -4.65 116.66 113.54 2a55 n ARG 111 Ca 0.00 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.62 2a55 n ARG 111 Cb 0.00 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a55 n GLY 112 N 0.57 1.01 3.64 -0.13 0.00 -1.26 -4.99 105.19 104.04 2a55 n GLY 112 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 2a55 n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a55 s VAL 113 N -2.43 0.00 0.04 1.61 -7.23 -1.26 -4.77 120.40 106.35 2a55 s VAL 113 Ca 0.00 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.25 2a55 s VAL 113 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 2a55 s VAL 113 CO 0.00 0.00 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.73 2a55 s GLY 114 N 1.04 1.46 -0.15 2.32 0.00 0.52 -4.55 107.32 107.96 2a55 s GLY 114 Ca -0.06 -1.22 -0.08 0.00 0.00 0.00 0.00 44.72 43.36 2a55 s GLY 114 CO -0.13 -1.10 0.13 -0.98 0.00 0.00 0.00 173.10 171.02 2a55 s TRP 115 N -0.83 3.49 0.00 1.90 0.23 -1.26 -1.00 118.94 121.47 2a55 s TRP 115 Ca 0.13 0.42 0.00 0.00 -2.03 0.00 0.00 56.10 54.61 2a55 s TRP 115 Cb -0.10 -2.02 0.00 0.00 0.03 0.00 0.00 33.47 31.38 2a55 s TRP 115 CO 0.03 0.54 0.60 -1.13 0.96 0.00 0.00 176.95 177.94 2a55 n SER 116 N 2.62 0.00 -3.77 2.95 3.41 -1.23 -4.91 113.62 112.69 2a55 n SER 116 Ca -0.18 0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 59.08 2a55 n SER 116 Cb 0.54 -0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.14 -0.22 0.00 7.33 3.76 -1.26 -5.10 115.29 117.66 2a55 s HIS 117 Ca 0.00 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2a55 s HIS 117 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.71 2a55 s HIS 117 CO 0.00 -0.15 0.00 -0.35 -0.85 0.00 0.00 174.74 173.39 2a55 n PRO 118 N 3.68 2.61 -1.49 8.40 -0.05 -1.26 -4.80 135.00 142.09 2a55 n PRO 118 Ca -0.20 0.00 -0.50 0.00 -0.05 0.00 0.00 63.50 62.75 2a55 n PRO 118 Cb 0.55 0.00 -0.04 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 0.17 0.00 1.53 7.99 -1.26 -4.96 117.00 120.46 2a55 n LEU 119 Ca 0.00 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.15 2a55 n LEU 119 Cb 0.00 -1.07 0.00 0.00 -0.11 0.00 0.00 43.42 42.24 2a55 n LEU 119 CO 0.00 -2.11 0.00 -2.65 -1.51 0.00 0.00 177.39 171.12 2a55 n PRO 120 N 1.24 0.59 -3.82 3.23 -0.02 -1.26 -5.04 135.00 129.92 2a55 n PRO 120 Ca 0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.28 2a55 n PRO 120 Cb 0.23 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.58 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a55 s GLN 121 N -1.09 3.21 -0.36 -0.52 -0.21 0.12 -4.99 119.66 115.82 2a55 s GLN 121 Ca 0.00 -0.76 -0.14 0.00 0.02 0.00 0.00 55.36 54.48 2a55 s GLN 121 Cb 0.00 -3.23 -0.01 0.00 1.00 0.00 0.00 33.01 30.77 2a55 s GLN 121 CO 0.00 -0.34 0.28 0.00 -2.12 0.00 0.00 175.29 173.11 2a55 s GLU 123 N 1.78 1.34 0.81 0.00 2.12 -1.24 -5.00 118.70 118.51 2a55 s GLU 123 Ca 0.07 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 54.75 2a55 s GLU 123 Cb -0.18 -1.26 0.08 0.00 0.26 0.00 0.00 34.13 33.04 2a55 s GLU 123 CO 0.11 0.30 1.12 -1.50 -0.54 0.00 0.00 175.26 174.74 2a55 s ILE 124 N -0.23 2.83 -0.50 -3.70 2.07 -1.26 -2.48 121.20 117.93 2a55 s ILE 124 Ca 0.03 0.29 0.24 0.00 -1.41 0.00 0.00 60.65 59.80 2a55 s ILE 124 Cb -0.07 -2.62 0.33 0.00 0.13 0.00 0.00 42.46 40.22 2a55 s ILE 124 CO 0.00 -0.34 1.67 -0.07 -1.91 0.00 0.00 174.94 174.29 2a55 h LEU 125 N -1.25 0.00 0.00 8.50 3.38 -0.87 -3.46 115.31 121.61 2a55 h LEU 125 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2a55 h LEU 125 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2a55 h LEU 125 CO 0.48 0.00 0.00 1.21 0.09 0.00 0.00 178.44 180.22 2a55 n GLU 126 N -2.85 0.00 -3.22 1.13 2.13 -1.26 -5.15 120.64 111.42 2a55 n GLU 126 Ca 0.04 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.90 2a55 n GLU 126 Cb 0.49 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.17 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2a55 s HIS 127 N 0.11 -0.28 0.00 4.31 5.65 -1.26 -5.19 115.29 118.63 2a55 s HIS 127 Ca 0.00 0.43 0.00 0.00 0.25 0.00 0.00 55.06 55.74 2a55 s HIS 127 Cb 0.00 0.15 0.00 0.00 -1.18 0.00 0.00 32.58 31.55 2a55 s HIS 127 CO 0.00 -0.14 0.00 0.72 -0.65 0.00 0.00 174.74 174.67 2a55 n HIS 128 N 4.90 -0.03 0.00 3.88 8.25 -1.26 -4.92 115.22 126.04 2a55 n HIS 128 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2a55 n HIS 128 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2a55 n HIS 128 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2a55 n HIS 129 N 0.00 0.00 0.00 4.41 -0.00 -1.26 -4.86 115.22 113.51 2a55 n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2a55 n HIS 129 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.00 0.00 0.00 1.57 -0.00 -1.26 -4.82 115.22 110.71 2a55 n HIS 130 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2a55 n HIS 130 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2a55 n HIS 130 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2a55 n HIS 131 N 0.00 0.00 1.45 4.41 -0.00 -1.26 -5.29 115.22 114.54 2a55 n HIS 131 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 2a55 n HIS 131 Cb 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 29.99 30.48 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92