#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 4.22 0.49 7.83 0.02 -1.26 -2.24 114.94 124.01 2a55 s ASN 1 Ca 0.00 -0.35 0.04 0.00 -1.02 0.00 0.00 52.86 51.53 2a55 s ASN 1 Cb 0.00 -0.81 0.02 0.00 0.02 0.00 0.00 41.25 40.49 2a55 s ASN 1 CO 0.00 0.23 0.69 0.00 0.02 0.00 0.00 177.10 178.04 2a55 s GLY 3 N -4.39 2.41 -0.00 0.00 0.00 -1.24 -4.42 107.32 99.67 2a55 s GLY 3 Ca 0.56 0.70 -0.39 0.00 0.00 0.00 0.00 44.72 45.60 2a55 s GLY 3 CO 0.36 1.06 1.27 -1.05 0.00 0.00 0.00 173.10 174.74 2a55 n PRO 4 N -1.84 0.60 -1.38 2.90 -0.02 -1.23 -4.68 135.00 129.35 2a55 n PRO 4 Ca 0.11 0.22 -0.51 0.00 -2.02 0.00 0.00 63.50 61.30 2a55 n PRO 4 Cb 0.51 -1.80 -0.11 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.35 0.27 -0.03 0.52 -0.02 -1.26 -4.92 135.00 131.91 2a55 n PRO 5 Ca 0.20 0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 2a55 n PRO 5 Cb 0.13 -1.80 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 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 8.03 -1.57 -3.81 0.52 -0.04 -1.26 -5.02 135.00 131.85 2a55 n PRO 6 Ca 0.55 -0.06 -0.35 0.00 -0.04 0.00 0.00 63.50 63.59 2a55 n PRO 6 Cb 0.07 -0.07 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2a55 s THR 7 N -1.06 5.32 -0.29 0.52 2.01 -1.26 -5.05 115.64 115.83 2a55 s THR 7 Ca 0.03 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 2a55 s THR 7 Cb -0.00 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.13 2a55 s THR 7 CO 0.02 0.48 0.04 -0.76 -0.69 0.00 0.00 174.62 173.71 2a55 s LEU 8 N 0.08 3.76 0.34 4.42 1.43 -1.26 -4.96 118.68 122.49 2a55 s LEU 8 Ca 0.09 -0.89 0.08 0.00 -1.03 0.00 0.00 54.13 52.39 2a55 s LEU 8 Cb -0.11 -1.80 0.62 0.00 0.03 0.00 0.00 46.19 44.92 2a55 s LEU 8 CO -0.01 -0.20 1.80 0.28 0.23 0.00 0.00 176.35 178.45 2a55 h SER 9 N 8.15 0.22 0.52 2.29 0.02 -2.00 -1.64 113.55 121.09 2a55 h SER 9 Ca -0.29 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2a55 h SER 9 Cb 1.11 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2a55 h SER 9 CO 0.59 0.51 0.00 2.22 -1.14 0.00 0.00 176.83 179.00 2a55 n PHE 10 N -4.14 0.00 -2.74 3.45 1.16 -1.26 -4.80 117.46 109.13 2a55 n PHE 10 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 2a55 n PHE 10 Cb 0.38 -0.30 0.00 0.00 -1.61 0.00 0.00 39.48 37.95 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ALA 11 N -1.30 0.00 -3.64 1.98 0.00 -0.62 -4.29 120.51 112.65 2a55 n ALA 11 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 2a55 n ALA 11 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.54 -2.06 0.45 0.00 0.00 0.48 -4.57 121.76 114.52 2a55 s ALA 12 Ca 0.00 1.91 -0.21 0.00 0.00 0.00 0.00 51.96 53.66 2a55 s ALA 12 Cb 0.00 -1.54 -0.12 0.00 0.00 0.00 0.00 23.12 21.46 2a55 s ALA 12 CO 0.00 -0.24 0.46 -2.30 0.00 0.00 0.00 175.76 173.69 2a55 n PRO 13 N 2.40 0.48 0.00 0.00 -0.02 -1.26 -0.53 135.00 136.07 2a55 n PRO 13 Ca -0.13 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2a55 n PRO 13 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.59 2.45 0.00 -0.52 1.56 -1.26 -4.65 117.12 115.28 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 0.42 -0.20 0.00 0.00 2.15 0.00 0.00 33.22 35.58 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 -2.83 6.12 2.03 -1.26 -4.90 116.55 115.71 2a55 n ASP 15 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2a55 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.73 -1.61 5.18 3.06 -1.26 -4.61 119.36 118.39 2a55 n ILE 16 Ca 0.00 0.43 -0.53 0.00 -2.50 0.00 0.00 62.75 60.15 2a55 n ILE 16 Cb 0.00 -2.60 -0.07 0.00 0.54 0.00 0.00 39.64 37.52 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 1.18 0.33 -0.13 9.51 -2.24 -1.26 -4.76 114.28 116.92 2a55 n THR 17 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2a55 n THR 17 Cb 0.43 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 7.22 3.93 -0.63 3.22 7.99 -1.26 -3.84 117.00 133.63 2a55 n LEU 18 Ca 0.31 -1.80 0.13 0.00 -0.01 0.00 0.00 56.01 54.64 2a55 n LEU 18 Cb 0.20 -0.80 0.39 0.00 -0.11 0.00 0.00 43.42 43.10 2a55 n LEU 18 CO 0.78 0.73 0.79 0.35 -1.51 0.00 0.00 177.39 178.53 2a55 n THR 19 N 1.36 0.10 -3.84 -5.08 -2.24 -1.26 -4.88 114.28 98.44 2a55 n THR 19 Ca 0.00 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2a55 n THR 19 Cb 0.41 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N -1.90 0.52 0.00 -0.78 0.41 -1.25 -5.03 118.70 110.67 2a55 s GLU 20 Ca 0.35 -0.32 0.21 0.00 -0.41 0.00 0.00 54.97 54.80 2a55 s GLU 20 Cb 0.20 0.22 -0.18 0.00 -1.78 0.00 0.00 34.13 32.59 2a55 s GLU 20 CO 0.31 -0.13 0.94 2.41 -0.49 0.00 0.00 175.26 178.30 2a55 n THR 21 N 1.47 0.00 -4.36 3.63 -1.04 -1.26 -4.94 114.28 107.77 2a55 n THR 21 Ca -0.22 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.53 2a55 n THR 21 Cb 0.56 0.97 -0.12 0.00 -1.82 0.00 0.00 70.33 69.92 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 -2.97 1.35 -0.22 -2.82 0.52 -1.26 -3.53 118.95 110.02 2a55 s ARG 22 Ca 0.09 -1.41 -0.04 0.00 -0.52 0.00 0.00 55.73 53.85 2a55 s ARG 22 Cb 0.16 -1.57 0.11 0.00 0.52 0.00 0.00 34.95 34.18 2a55 s ARG 22 CO 0.84 0.34 0.34 -0.06 0.02 0.00 0.00 175.30 176.79 2a55 s PHE 23 N -1.72 -0.69 1.03 -0.53 0.40 -1.26 -5.01 117.98 110.20 2a55 s PHE 23 Ca 0.16 0.83 -0.19 0.00 -0.60 0.00 0.00 56.93 57.13 2a55 s PHE 23 Cb -0.07 -0.02 -0.02 0.00 0.51 0.00 0.00 43.02 43.42 2a55 s PHE 23 CO 0.07 -0.63 -0.35 0.36 0.70 0.00 0.00 175.22 175.37 2a55 n LYS 24 N 5.36 -0.61 0.00 0.44 2.85 -1.26 -3.50 118.16 121.43 2a55 n LYS 24 Ca -0.05 -0.16 0.06 0.00 -1.05 0.00 0.00 58.31 57.11 2a55 n LYS 24 Cb 0.50 -1.47 0.33 0.00 -0.65 0.00 0.00 35.03 33.73 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 -3.64 0.13 0.60 0.58 -2.24 -0.95 -1.42 114.28 107.34 2a55 n THR 25 Ca 0.01 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.91 2a55 n THR 25 Cb 0.61 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.30 -0.68 3.51 3.38 0.00 -1.26 -4.19 105.19 105.65 2a55 n GLY 26 Ca 0.08 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.79 1.84 -0.29 2.61 -1.32 -0.51 -4.94 115.64 110.23 2a55 s THR 27 Ca 0.03 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.37 2a55 s THR 27 Cb 0.13 -2.22 0.13 0.00 -1.51 0.00 0.00 72.50 69.03 2a55 s THR 27 CO 0.72 0.00 0.83 -0.89 -2.21 0.00 0.00 174.62 173.07 2a55 s THR 28 N -2.61 -0.37 0.41 5.08 2.01 -1.25 -3.97 115.64 114.93 2a55 s THR 28 Ca 0.68 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2a55 s THR 28 Cb -0.20 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.31 2a55 s THR 28 CO 0.61 0.00 0.59 -0.76 -0.69 0.00 0.00 174.62 174.37 2a55 s LEU 29 N 2.07 3.72 0.00 4.42 1.43 0.12 -4.87 118.68 125.58 2a55 s LEU 29 Ca -0.07 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2a55 s LEU 29 Cb -0.07 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2a55 s LEU 29 CO -0.18 -0.67 0.00 1.17 0.23 0.00 0.00 176.35 176.90 2a55 n LYS 30 N -1.90 0.00 -1.55 1.70 3.00 -1.26 -2.95 118.16 115.20 2a55 n LYS 30 Ca 0.03 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2a55 n LYS 30 Cb 0.58 -0.50 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 -1.22 -4.12 -4.22 5.64 4.02 -1.26 -4.02 117.16 111.98 2a55 n TYR 31 Ca 0.00 2.17 -0.18 0.00 -0.01 0.00 0.00 57.90 59.88 2a55 n TYR 31 Cb 0.00 -3.37 -0.13 0.00 -0.02 0.00 0.00 39.34 35.83 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 -2.56 0.94 -0.15 -0.72 -1.32 0.31 -4.80 115.64 107.33 2a55 s THR 32 Ca 0.00 -1.05 -0.16 0.00 -1.21 0.00 0.00 61.69 59.27 2a55 s THR 32 Cb 0.00 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 2a55 s THR 32 CO 0.00 -0.14 0.39 0.00 -2.21 0.00 0.00 174.62 172.66 2a55 n LEU 34 N 3.84 -3.39 -4.60 0.00 4.77 -1.26 -4.74 117.00 111.61 2a55 n LEU 34 Ca -0.09 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 2a55 n LEU 34 Cb 0.52 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2a55 n LEU 34 CO 0.41 -3.18 1.45 -2.16 -1.33 0.00 0.00 177.39 172.59 2a55 s PRO 35 N -1.55 3.39 0.00 3.23 0.04 -1.26 -3.67 135.00 135.18 2a55 s PRO 35 Ca 0.29 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2a55 s PRO 35 Cb -0.02 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2a55 s PRO 35 CO 0.57 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2a55 n GLY 36 N 5.33 -0.42 3.88 0.56 0.00 -1.26 -5.09 105.19 108.19 2a55 n GLY 36 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.46 0.00 1.61 1.51 -1.24 -1.47 117.35 121.22 2a55 s TYR 37 Ca 0.00 0.96 0.00 0.00 -1.01 0.00 0.00 57.07 57.02 2a55 s TYR 37 Cb 0.00 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 2a55 s TYR 37 CO 0.00 -0.02 0.00 1.33 -1.11 0.00 0.00 175.55 175.75 2a55 n VAL 38 N -1.11 0.00 -1.31 0.71 0.24 -1.26 -4.77 118.33 110.83 2a55 n VAL 38 Ca 0.01 0.00 -0.56 0.00 -2.04 0.00 0.00 64.34 61.76 2a55 n VAL 38 Cb 0.54 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.78 2a55 n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2a55 n ARG 39 N 0.00 0.00 0.00 7.34 5.12 -1.26 -4.02 116.66 123.84 2a55 n ARG 39 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2a55 n ARG 39 Cb 0.00 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a55 n SER 40 N 8.19 0.00 -4.44 0.55 2.88 -1.26 -4.72 113.62 114.82 2a55 n SER 40 Ca 0.57 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.72 2a55 n SER 40 Cb -0.02 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.46 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N 0.00 -0.83 -0.17 0.66 8.25 -0.45 -4.41 115.22 118.27 2a55 n HIS 41 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2a55 n HIS 41 Cb 0.00 -1.94 0.00 0.00 1.12 0.00 0.00 29.99 29.17 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a55 n SER 42 N 0.94 0.00 0.00 0.41 2.88 -1.24 -5.00 113.62 111.60 2a55 n SER 42 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2a55 n SER 42 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 -1.77 2.46 -1.04 -1.26 -5.07 114.28 107.60 2a55 n THR 43 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 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 -0.16 -3.69 -2.82 7.27 -1.26 -5.07 117.38 111.65 2a55 n GLN 44 Ca 0.00 0.03 -0.13 0.00 0.07 0.00 0.00 57.00 56.97 2a55 n GLN 44 Cb 0.00 -2.06 -0.09 0.00 2.41 0.00 0.00 30.24 30.50 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 -3.02 0.00 -0.40 1.69 -4.23 -1.26 -4.61 115.64 103.81 2a55 s THR 45 Ca 0.01 -0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.41 2a55 s THR 45 Cb -0.00 -0.75 0.05 0.00 1.34 0.00 0.00 72.50 73.15 2a55 s THR 45 CO 0.03 -0.00 0.24 -0.76 -0.54 0.00 0.00 174.62 173.59 2a55 s LEU 46 N 0.27 4.97 0.07 4.79 1.02 -1.15 -4.60 118.68 124.06 2a55 s LEU 46 Ca -0.00 -1.24 0.05 0.00 0.02 0.00 0.00 54.13 52.96 2a55 s LEU 46 Cb -0.04 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2a55 s LEU 46 CO 0.01 -0.47 -0.04 -0.89 0.02 0.00 0.00 176.35 174.97 2a55 s THR 47 N 1.51 3.76 -0.30 5.49 2.01 -1.23 -0.70 115.64 126.17 2a55 s THR 47 Ca 0.02 -1.00 -0.26 0.00 0.31 0.00 0.00 61.69 60.76 2a55 s THR 47 Cb -0.21 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.56 2a55 s THR 47 CO 0.05 0.19 0.90 0.00 -0.69 0.00 0.00 174.62 175.07 2a55 s ASN 49 N 1.58 5.01 -1.29 0.00 2.20 -1.19 -4.13 114.94 117.11 2a55 s ASN 49 Ca 0.38 -0.73 -0.06 0.00 -0.94 0.00 0.00 52.86 51.51 2a55 s ASN 49 Cb -0.14 0.18 0.14 0.00 -2.00 0.00 0.00 41.25 39.43 2a55 s ASN 49 CO 0.12 -1.39 2.26 -0.24 -2.94 0.00 0.00 177.10 174.92 2a55 n SER 50 N -2.32 7.61 0.00 3.54 2.88 -1.26 -3.71 113.62 120.36 2a55 n SER 50 Ca 0.15 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.50 2a55 n SER 50 Cb 0.61 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 1.84 0.00 -0.52 -3.46 -0.08 -1.26 -4.99 116.55 108.08 2a55 n ASP 51 Ca 0.58 -1.00 -0.07 0.00 -1.51 0.00 0.00 54.79 52.79 2a55 n ASP 51 Cb 0.26 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.69 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 0.83 3.39 0.27 0.00 -1.24 -4.97 105.19 103.47 2a55 n GLY 52 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.20 1.70 -0.35 1.61 -1.05 -1.26 -3.69 118.70 113.46 2a55 s GLU 53 Ca 0.00 -1.99 -0.13 0.00 -0.15 0.00 0.00 54.97 52.70 2a55 s GLU 53 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 33.41 2a55 s GLU 53 CO 0.00 -0.45 0.24 -1.58 0.95 0.00 0.00 175.26 174.42 2a55 s TRP 54 N -3.46 3.22 0.07 4.83 0.52 -1.26 -3.18 118.94 119.68 2a55 s TRP 54 Ca 0.33 -0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.09 2a55 s TRP 54 Cb 0.04 -2.47 -0.05 0.00 -1.15 0.00 0.00 33.47 29.84 2a55 s TRP 54 CO 0.17 -0.41 0.30 0.08 0.02 0.00 0.00 176.95 177.11 2a55 s VAL 55 N 1.70 5.27 0.00 4.03 1.01 -1.18 -4.91 120.40 126.31 2a55 s VAL 55 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2a55 s VAL 55 Cb -0.18 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2a55 s VAL 55 CO 0.10 0.18 0.00 0.00 0.00 0.00 0.00 175.10 175.38 2a55 n TYR 56 N 0.50 0.00 -1.04 5.22 0.18 -1.26 -3.53 117.16 117.23 2a55 n TYR 56 Ca -0.06 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.84 2a55 n TYR 56 Cb 0.52 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.44 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2a55 n ASN 57 N 0.00 -5.69 -4.51 9.48 4.13 -1.26 -4.18 115.26 113.23 2a55 n ASN 57 Ca 0.00 0.53 -0.43 0.00 1.68 0.00 0.00 54.58 56.36 2a55 n ASN 57 Cb 0.00 -3.33 -0.02 0.00 -1.54 0.00 0.00 39.78 34.89 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2a55 s THR 58 N -2.48 4.41 0.14 3.41 2.01 -1.26 -4.85 115.64 117.01 2a55 s THR 58 Ca 0.00 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.32 2a55 s THR 58 Cb 0.00 -4.96 -0.02 0.00 0.01 0.00 0.00 72.50 67.53 2a55 s THR 58 CO 0.00 -1.75 1.79 2.19 -0.69 0.00 0.00 174.62 176.16 2a55 h PHE 59 N 8.73 0.40 -4.98 4.92 -5.15 -1.83 -3.45 116.94 115.58 2a55 h PHE 59 Ca 0.24 0.01 -0.21 0.00 -0.20 0.00 0.00 57.97 57.80 2a55 h PHE 59 Cb 0.97 -0.13 0.00 0.00 0.22 0.00 0.00 35.95 37.01 2a55 h PHE 59 CO 1.23 0.26 -0.05 0.00 -2.00 0.00 0.00 178.31 177.75 2a55 n ILE 61 N -1.38 0.18 -0.89 0.00 3.06 -1.26 -4.84 119.36 114.23 2a55 n ILE 61 Ca 0.05 0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.35 2a55 n ILE 61 Cb 0.25 -0.55 0.00 0.00 0.54 0.00 0.00 39.64 39.89 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2a55 n TYR 62 N -3.03 0.00 -2.94 9.51 4.19 -1.26 -4.93 117.16 118.70 2a55 n TYR 62 Ca 0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.22 2a55 n TYR 62 Cb 0.00 -1.25 0.00 0.00 0.49 0.00 0.00 39.34 38.58 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 -1.22 0.50 0.00 2.98 -2.85 -0.54 -4.92 119.74 113.69 2a55 s LYS 63 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.75 2a55 s LYS 63 Cb 0.00 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2a55 s LYS 63 CO 0.00 -0.71 0.00 2.89 0.10 0.00 0.00 175.35 177.63 2a55 n ARG 64 N 3.87 0.02 -3.60 1.78 1.85 -1.26 -4.20 116.66 115.12 2a55 n ARG 64 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.79 2a55 n ARG 64 Cb 0.60 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.94 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a55 s ARG 66 N -0.13 4.05 0.06 0.00 6.06 -1.26 -4.72 118.95 123.00 2a55 s ARG 66 Ca -0.04 1.88 -0.37 0.00 -2.50 0.00 0.00 55.73 54.71 2a55 s ARG 66 Cb -0.03 -2.69 -0.16 0.00 0.06 0.00 0.00 34.95 32.12 2a55 s ARG 66 CO 0.04 -0.33 1.43 1.58 -2.50 0.00 0.00 175.30 175.52 2a55 n HIS 67 N 0.10 1.71 -0.25 5.12 -0.00 -1.26 -4.82 115.22 115.81 2a55 n HIS 67 Ca 0.04 0.55 0.20 0.00 -0.00 0.00 0.00 57.72 58.51 2a55 n HIS 67 Cb 0.46 -2.39 0.52 0.00 -0.00 0.00 0.00 29.99 28.58 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2a55 h PRO 68 N 5.18 0.37 0.00 1.57 0.13 -2.01 -3.48 132.00 133.76 2a55 h PRO 68 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2a55 h PRO 68 Cb 1.32 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a55 h PRO 68 CO 0.82 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.24 2a55 n GLY 69 N -1.52 0.82 3.71 1.56 0.00 -1.26 -4.32 105.19 104.18 2a55 n GLY 69 Ca 0.20 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.04 4.48 -0.44 1.61 2.12 -1.26 -4.90 118.70 119.28 2a55 s GLU 70 Ca 0.00 1.10 -0.06 0.00 0.36 0.00 0.00 54.97 56.38 2a55 s GLU 70 Cb 0.00 -3.46 0.11 0.00 0.26 0.00 0.00 34.13 31.05 2a55 s GLU 70 CO 0.00 0.00 0.27 -1.17 -0.54 0.00 0.00 175.26 173.82 2a55 s LEU 71 N 0.93 5.44 0.00 2.70 2.96 -1.26 -4.98 118.68 124.47 2a55 s LEU 71 Ca 0.43 -1.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.38 2a55 s LEU 71 Cb -0.19 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.59 2a55 s LEU 71 CO 0.22 -0.61 0.07 -1.14 -1.32 0.00 0.00 176.35 173.57 2a55 n ARG 72 N 4.74 0.00 0.00 1.98 0.63 -1.26 -2.89 116.66 119.86 2a55 n ARG 72 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2a55 n ARG 72 Cb 0.41 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.82 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 -0.09 0.00 -1.20 6.15 3.02 -1.26 -4.57 115.26 117.32 2a55 n ASN 73 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 2a55 n ASN 73 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.41 3.89 2.94 7.41 0.00 -1.14 -0.96 105.19 116.91 2a55 n GLY 74 Ca 0.00 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.17 2a55 n GLY 74 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a55 s GLN 75 N -2.12 0.63 -0.38 1.61 -0.21 0.48 -4.67 119.66 115.01 2a55 s GLN 75 Ca 0.03 -0.17 -0.10 0.00 0.02 0.00 0.00 55.36 55.15 2a55 s GLN 75 Cb 0.00 -0.63 0.05 0.00 1.00 0.00 0.00 33.01 33.43 2a55 s GLN 75 CO 0.02 0.04 0.21 0.08 -2.12 0.00 0.00 175.29 173.52 2a55 s VAL 76 N 0.32 4.31 -1.13 1.09 1.01 -1.26 -0.73 120.40 124.00 2a55 s VAL 76 Ca -0.04 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 2a55 s VAL 76 Cb -0.08 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2a55 s VAL 76 CO -0.00 -0.32 1.88 -0.70 0.00 0.00 0.00 175.10 175.96 2a55 s GLU 77 N 1.48 2.78 -0.08 2.72 2.12 -1.11 -4.92 118.70 121.68 2a55 s GLU 77 Ca 0.02 -1.09 -0.02 0.00 0.36 0.00 0.00 54.97 54.24 2a55 s GLU 77 Cb -0.21 -5.25 -0.03 0.00 0.26 0.00 0.00 34.13 28.90 2a55 s GLU 77 CO 0.04 -3.51 0.03 0.42 -0.54 0.00 0.00 175.26 171.70 2a55 s ILE 78 N 9.52 4.51 0.00 -3.70 -1.09 -1.26 -4.55 121.20 124.64 2a55 s ILE 78 Ca 0.65 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 2a55 s ILE 78 Cb -0.01 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 2a55 s ILE 78 CO 0.08 0.57 0.00 2.29 -1.23 0.00 0.00 174.94 176.65 2a55 n LYS 79 N 1.98 0.00 0.00 2.79 0.00 -1.26 -4.93 118.16 116.74 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 0.54 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 -1.51 0.00 -0.94 0.58 -2.24 -1.26 -4.80 114.28 104.12 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 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.47 -5.04 -2.94 3.42 8.00 -1.26 -2.32 116.55 115.94 2a55 n ASP 81 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2a55 n ASP 81 Cb 0.01 -3.19 0.06 0.00 -0.02 0.00 0.00 41.12 37.98 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 -4.36 -1.57 0.64 7.99 -1.26 -4.57 117.00 113.87 2a55 n LEU 82 Ca 0.00 -0.54 -0.07 0.00 -0.01 0.00 0.00 56.01 55.39 2a55 n LEU 82 Cb 0.41 -2.67 0.02 0.00 -0.11 0.00 0.00 43.42 41.07 2a55 n LEU 82 CO 0.00 0.19 0.99 -1.54 -1.51 0.00 0.00 177.39 175.51 2a55 n SER 83 N -2.82 5.18 -1.66 -1.43 3.41 -0.98 0.69 113.62 116.01 2a55 n SER 83 Ca -0.14 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2a55 n SER 83 Cb 0.62 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.80 -3.97 -1.88 7.33 7.35 -1.26 -4.71 117.46 121.12 2a55 n PHE 84 Ca 0.13 2.11 0.00 0.00 -0.76 0.00 0.00 57.45 58.93 2a55 n PHE 84 Cb 0.58 -3.17 0.00 0.00 0.35 0.00 0.00 39.48 37.24 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 -0.63 0.83 3.14 7.13 0.00 -1.25 -5.01 105.19 109.40 2a55 n GLY 85 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 2a55 n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a55 s SER 86 N -2.82 1.00 -0.10 1.61 1.04 -1.26 -4.98 113.70 108.19 2a55 s SER 86 Ca 0.00 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.49 2a55 s SER 86 Cb 0.00 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 2a55 s SER 86 CO 0.00 -0.46 -0.16 -1.58 0.98 0.00 0.00 173.24 172.02 2a55 s GLN 87 N -3.61 3.01 -0.32 4.02 -0.44 -1.26 -3.31 119.66 117.76 2a55 s GLN 87 Ca 0.09 -0.74 0.02 0.00 -2.50 0.00 0.00 55.36 52.23 2a55 s GLN 87 Cb 0.04 -2.47 0.09 0.00 -1.64 0.00 0.00 33.01 29.04 2a55 s GLN 87 CO -0.05 0.34 0.05 0.96 0.50 0.00 0.00 175.29 177.08 2a55 s ILE 88 N 0.01 1.77 0.10 -2.34 -4.36 -1.06 -4.90 121.20 110.41 2a55 s ILE 88 Ca -0.05 -1.92 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 2a55 s ILE 88 Cb -0.14 -2.28 -0.06 0.00 1.25 0.00 0.00 42.46 41.23 2a55 s ILE 88 CO 0.04 -0.55 1.20 -1.61 0.24 0.00 0.00 174.94 174.26 2a55 s GLU 89 N 1.17 4.45 0.17 0.37 2.02 -1.25 -3.64 118.70 122.00 2a55 s GLU 89 Ca 0.08 1.80 -0.03 0.00 0.02 0.00 0.00 54.97 56.84 2a55 s GLU 89 Cb -0.18 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2a55 s GLU 89 CO -0.13 -0.20 0.39 -0.06 0.02 0.00 0.00 175.26 175.28 2a55 s PHE 90 N 0.72 3.48 -0.17 1.61 0.40 -0.99 -2.77 117.98 120.26 2a55 s PHE 90 Ca 0.57 0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 57.34 2a55 s PHE 90 Cb -0.30 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.34 2a55 s PHE 90 CO 0.31 0.40 0.01 -1.12 0.70 0.00 0.00 175.22 175.52 2a55 s SER 91 N -2.78 2.76 -0.16 1.36 0.01 0.09 -4.85 113.70 110.13 2a55 s SER 91 Ca 0.40 -0.71 -0.29 0.00 1.31 0.00 0.00 55.95 56.66 2a55 s SER 91 Cb -0.12 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.45 2a55 s SER 91 CO 0.27 -0.27 1.04 0.00 0.41 0.00 0.00 173.24 174.69 2a55 n SER 93 N 5.63 -2.82 -4.36 0.00 3.41 -0.14 -4.61 113.62 110.73 2a55 n SER 93 Ca 0.10 -0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.33 2a55 n SER 93 Cb 0.47 -0.85 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a55 n GLU 94 N -0.37 0.25 0.00 4.33 2.13 -1.26 -1.40 120.64 124.32 2a55 n GLU 94 Ca 0.00 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2a55 n GLU 94 Cb 0.64 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.91 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 2.13 1.31 3.42 8.31 0.00 -1.26 -4.89 105.19 114.20 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 2.99 0.45 1.61 0.08 -0.49 -0.34 117.98 122.28 2a55 s PHE 96 Ca 0.00 -0.56 0.05 0.00 0.12 0.00 0.00 56.93 56.54 2a55 s PHE 96 Cb 0.00 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2a55 s PHE 96 CO 0.00 -0.27 0.63 -0.59 -0.10 0.00 0.00 175.22 174.89 2a55 s PHE 97 N 0.92 2.90 0.11 0.36 -0.71 0.13 -3.76 117.98 117.93 2a55 s PHE 97 Ca 0.00 -0.20 -0.22 0.00 -1.04 0.00 0.00 56.93 55.47 2a55 s PHE 97 Cb -0.15 -2.44 -0.07 0.00 -1.21 0.00 0.00 43.02 39.15 2a55 s PHE 97 CO 0.01 -0.50 0.65 -1.17 -1.34 0.00 0.00 175.22 172.87 2a55 s LEU 98 N -4.47 4.56 -0.29 -1.99 2.96 -1.26 -2.68 118.68 115.51 2a55 s LEU 98 Ca 0.54 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.88 2a55 s LEU 98 Cb -0.10 -3.06 0.19 0.00 0.50 0.00 0.00 46.19 43.72 2a55 s LEU 98 CO 0.35 0.25 0.56 -0.63 -1.32 0.00 0.00 176.35 175.56 2a55 s ILE 99 N -1.12 -0.93 0.00 6.68 1.01 -1.07 -4.97 121.20 120.80 2a55 s ILE 99 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2a55 s ILE 99 Cb -0.21 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.28 2a55 s ILE 99 CO 0.22 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2a55 n GLY 100 N 5.41 0.00 2.10 6.18 0.00 -1.26 -0.63 105.19 117.00 2a55 n GLY 100 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.26 0.00 1.61 2.88 -1.26 -4.55 113.62 110.05 2a55 n SER 101 Ca 0.00 0.92 0.05 0.00 -1.33 0.00 0.00 58.87 58.51 2a55 n SER 101 Cb 0.00 -3.68 0.22 0.00 -0.75 0.00 0.00 64.21 60.01 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 1.09 0.92 -4.31 2.46 -2.24 -1.26 -4.60 114.28 106.33 2a55 n THR 102 Ca -0.21 0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 2a55 n THR 102 Cb 0.32 -1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 67.38 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 -2.66 3.10 -0.17 4.28 -4.23 -1.26 -2.34 115.64 112.35 2a55 s THR 103 Ca 0.08 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2a55 s THR 103 Cb 0.06 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.44 2a55 s THR 103 CO 0.15 -0.15 0.23 -0.55 -0.54 0.00 0.00 174.62 173.76 2a55 s SER 104 N -2.93 0.97 0.08 3.99 0.15 -1.24 -4.92 113.70 109.80 2a55 s SER 104 Ca 0.25 0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.98 2a55 s SER 104 Cb -0.08 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2a55 s SER 104 CO 0.15 -0.29 0.24 -0.13 1.20 0.00 0.00 173.24 174.41 2a55 s ARG 105 N 2.36 3.46 -0.32 5.44 0.52 -1.26 -2.57 118.95 126.58 2a55 s ARG 105 Ca 0.05 -0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 54.71 2a55 s ARG 105 Cb -0.14 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 2a55 s ARG 105 CO -0.11 0.58 0.34 0.00 0.02 0.00 0.00 175.30 176.13 2a55 s GLU 107 N 1.98 2.03 -0.02 0.00 2.12 -1.26 -3.78 118.70 119.77 2a55 s GLU 107 Ca 0.12 -2.05 0.00 0.00 0.36 0.00 0.00 54.97 53.40 2a55 s GLU 107 Cb -0.16 -1.72 0.02 0.00 0.26 0.00 0.00 34.13 32.53 2a55 s GLU 107 CO 0.11 -0.07 0.01 0.08 -0.54 0.00 0.00 175.26 174.85 2a55 s VAL 108 N -2.69 0.07 -0.33 3.70 1.01 -1.26 -0.17 120.40 120.73 2a55 s VAL 108 Ca 0.36 0.11 0.16 0.00 0.00 0.00 0.00 61.98 62.61 2a55 s VAL 108 Cb 0.08 -0.17 0.45 0.00 0.00 0.00 0.00 36.38 36.74 2a55 s VAL 108 CO 0.19 0.10 1.16 0.00 0.00 0.00 0.00 175.10 176.55 2a55 n GLN 109 N 3.96 1.30 0.00 2.72 10.64 -1.26 -4.88 117.38 129.86 2a55 n GLN 109 Ca -0.25 -2.70 0.00 0.00 -1.83 0.00 0.00 57.00 52.22 2a55 n GLN 109 Cb 0.52 -0.81 0.00 0.00 -0.86 0.00 0.00 30.24 29.08 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 -0.49 0.00 0.00 2.61 2.03 -1.26 -5.00 116.55 114.44 2a55 n ASP 110 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2a55 n ASP 110 Cb 0.83 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2a55 n ARG 111 N 0.00 0.00 -0.55 -0.67 1.85 -1.26 -4.95 116.66 111.09 2a55 n ARG 111 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 2a55 n ARG 111 Cb 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.46 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a55 n GLY 112 N 0.00 1.80 1.36 2.89 0.00 -1.26 -5.07 105.19 104.92 2a55 n GLY 112 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2a55 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2a55 n VAL 113 N -0.31 -3.43 -3.51 1.61 0.31 -1.26 -4.79 118.33 106.94 2a55 n VAL 113 Ca 0.05 1.60 -0.28 0.00 -0.01 0.00 0.00 64.34 65.70 2a55 n VAL 113 Cb 0.75 -2.42 -0.11 0.00 -0.91 0.00 0.00 33.84 31.15 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a55 s GLY 114 N -4.32 1.27 0.18 2.92 0.00 0.76 -4.84 107.32 103.29 2a55 s GLY 114 Ca 0.00 -2.35 -0.30 0.00 0.00 0.00 0.00 44.72 42.08 2a55 s GLY 114 CO 0.00 1.93 0.67 0.79 0.00 0.00 0.00 173.10 176.49 2a55 n TRP 115 N 3.38 -0.10 -0.00 1.90 7.02 -1.26 -4.24 117.44 124.13 2a55 n TRP 115 Ca 0.18 0.95 -0.17 0.00 -1.02 0.00 0.00 57.50 57.44 2a55 n TRP 115 Cb 0.40 -2.02 -0.11 0.00 -2.42 0.00 0.00 31.31 27.17 2a55 n TRP 115 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2a55 h SER 116 N 1.46 0.51 -0.31 -0.99 0.87 -1.91 -3.47 113.55 109.70 2a55 h SER 116 Ca -0.33 -0.74 0.25 0.00 -1.23 0.00 0.00 61.79 59.74 2a55 h SER 116 Cb 1.43 -0.15 -0.23 0.00 -0.44 0.00 0.00 62.40 63.00 2a55 h SER 116 CO 0.59 1.18 0.29 -2.28 -0.53 0.00 0.00 176.83 176.08 2a55 s HIS 117 N -3.27 -0.33 0.00 2.24 5.65 -1.26 -5.14 115.29 113.18 2a55 s HIS 117 Ca -0.13 0.44 0.00 0.00 0.25 0.00 0.00 55.06 55.61 2a55 s HIS 117 Cb 0.03 0.15 0.00 0.00 -1.18 0.00 0.00 32.58 31.58 2a55 s HIS 117 CO 0.81 -0.18 0.00 -0.35 -0.65 0.00 0.00 174.74 174.38 2a55 n PRO 118 N 5.18 2.46 0.00 2.88 -0.05 -1.26 -4.80 135.00 139.40 2a55 n PRO 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.37 2a55 n PRO 118 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.99 2a55 n PRO 118 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 2a55 n LEU 119 N 0.00 0.00 0.00 1.53 4.77 -1.26 -4.89 117.00 117.15 2a55 n LEU 119 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2a55 n LEU 119 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2a55 n LEU 119 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.41 2a55 n PRO 120 N 0.00 1.76 -3.91 3.23 -0.02 -1.26 -5.01 135.00 129.80 2a55 n PRO 120 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 2a55 n PRO 120 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 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 0.00 2.77 -0.41 -0.52 -0.21 0.20 -4.99 119.66 116.51 2a55 s GLN 121 Ca 0.00 -1.03 -0.19 0.00 0.02 0.00 0.00 55.36 54.16 2a55 s GLN 121 Cb 0.00 -3.12 0.02 0.00 1.00 0.00 0.00 33.01 30.91 2a55 s GLN 121 CO 0.00 -0.47 0.52 0.00 -2.12 0.00 0.00 175.29 173.23 2a55 s GLU 123 N 2.43 1.25 0.74 0.00 2.12 -1.09 -4.91 118.70 119.24 2a55 s GLU 123 Ca 0.17 -0.99 -0.14 0.00 0.36 0.00 0.00 54.97 54.37 2a55 s GLU 123 Cb -0.16 -1.40 0.05 0.00 0.26 0.00 0.00 34.13 32.88 2a55 s GLU 123 CO 0.15 0.35 1.18 -1.50 -0.54 0.00 0.00 175.26 174.90 2a55 s ILE 124 N -0.92 2.44 -1.39 -3.70 2.07 -1.26 -0.70 121.20 117.73 2a55 s ILE 124 Ca 0.06 0.20 0.22 0.00 -1.41 0.00 0.00 60.65 59.73 2a55 s ILE 124 Cb -0.09 -2.70 0.37 0.00 0.13 0.00 0.00 42.46 40.17 2a55 s ILE 124 CO 0.02 -0.13 1.73 0.18 -1.91 0.00 0.00 174.94 174.84 2a55 n LEU 125 N -2.88 0.00 -4.72 8.50 4.77 0.54 -4.77 117.00 118.44 2a55 n LEU 125 Ca 0.13 0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 56.00 2a55 n LEU 125 Cb 0.51 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2a55 n LEU 125 CO 0.48 -0.08 0.72 -0.70 -1.33 0.00 0.00 177.39 176.48 2a55 s GLU 126 N -2.61 4.60 0.06 3.23 2.12 -1.26 -5.04 118.70 119.80 2a55 s GLU 126 Ca 0.20 1.52 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 2a55 s GLU 126 Cb 0.15 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 2a55 s GLU 126 CO 0.35 0.04 0.06 -1.01 -0.54 0.00 0.00 175.26 174.16 2a55 s HIS 127 N 0.44 0.35 0.00 5.30 3.76 -1.26 -5.11 115.29 118.77 2a55 s HIS 127 Ca 0.51 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2a55 s HIS 127 Cb -0.24 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.20 2a55 s HIS 127 CO 0.30 -0.44 0.00 0.72 -0.85 0.00 0.00 174.74 174.47 2a55 n HIS 128 N 0.11 0.00 -2.94 1.40 8.25 -1.26 -5.11 115.22 115.67 2a55 n HIS 128 Ca -0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.28 2a55 n HIS 128 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.98 -2.52 -3.92 4.41 -0.00 -1.26 -5.05 115.22 105.90 2a55 n HIS 129 Ca 0.00 1.10 -0.09 0.00 0.46 0.00 0.00 57.72 59.19 2a55 n HIS 129 Cb 0.00 -2.86 -0.08 0.00 -0.12 0.00 0.00 29.99 26.93 2a55 n HIS 129 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2a55 s HIS 130 N -1.48 0.27 -0.07 1.57 -3.43 -1.26 -5.10 115.29 105.79 2a55 s HIS 130 Ca 0.04 -0.71 -0.07 0.00 -0.80 0.00 0.00 55.06 53.52 2a55 s HIS 130 Cb -0.01 -0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 30.99 2a55 s HIS 130 CO 0.52 -0.54 -0.14 0.72 -2.00 0.00 0.00 174.74 173.29 2a55 n HIS 131 N -0.06 0.00 1.78 0.38 8.25 -1.26 -5.36 115.22 118.95 2a55 n HIS 131 Ca -0.13 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.48 2a55 n HIS 131 Cb 0.62 -0.20 0.76 0.00 1.12 0.00 0.00 29.99 32.29 2a55 n HIS 131 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70