#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 4.86 0.51 7.83 -0.87 -1.26 0.36 114.94 126.38 2a55 s ASN 1 Ca 0.00 -0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.30 2a55 s ASN 1 Cb 0.00 -1.24 0.03 0.00 -0.02 0.00 0.00 41.25 40.02 2a55 s ASN 1 CO 0.00 0.32 0.71 0.00 -2.57 0.00 0.00 177.10 175.56 2a55 s GLY 3 N -4.41 2.24 0.10 0.00 0.00 -1.17 -4.35 107.32 99.72 2a55 s GLY 3 Ca 0.57 0.65 -0.36 0.00 0.00 0.00 0.00 44.72 45.58 2a55 s GLY 3 CO 0.37 1.02 1.23 -1.05 0.00 0.00 0.00 173.10 174.67 2a55 n PRO 4 N -2.41 0.94 -1.39 2.90 -0.02 -1.25 -4.72 135.00 129.05 2a55 n PRO 4 Ca 0.11 0.34 -0.52 0.00 -2.02 0.00 0.00 63.50 61.41 2a55 n PRO 4 Cb 0.51 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 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 2.13 0.58 -0.14 0.52 -0.02 -1.26 -4.92 135.00 131.89 2a55 n PRO 5 Ca 0.18 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.63 2a55 n PRO 5 Cb 0.19 -2.07 0.17 0.00 -0.02 0.00 0.00 33.50 31.76 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 -3.48 -3.61 0.52 -0.04 -1.26 -4.99 135.00 130.17 2a55 n PRO 6 Ca 0.49 -0.82 -0.36 0.00 -0.04 0.00 0.00 63.50 62.76 2a55 n PRO 6 Cb 0.13 -1.09 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.62 5.31 0.24 0.52 2.01 -1.26 -5.04 115.64 115.80 2a55 s THR 7 Ca 0.37 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.88 2a55 s THR 7 Cb -0.07 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.87 2a55 s THR 7 CO 0.31 0.45 0.12 0.18 -0.69 0.00 0.00 174.62 175.00 2a55 n LEU 8 N 3.13 0.00 0.01 4.42 4.77 -1.26 -5.08 117.00 122.99 2a55 n LEU 8 Ca -0.14 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 2a55 n LEU 8 Cb 0.52 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2a55 n LEU 8 CO 0.38 -0.34 -0.24 -1.20 -1.33 0.00 0.00 177.39 174.66 2a55 n SER 9 N -1.68 0.06 0.25 -1.43 7.64 -1.26 -4.74 113.62 112.46 2a55 n SER 9 Ca -0.04 0.04 0.17 0.00 1.01 0.00 0.00 58.87 60.05 2a55 n SER 9 Cb 0.28 0.00 0.89 0.00 -1.01 0.00 0.00 64.21 64.37 2a55 n SER 9 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2a55 h PHE 10 N 0.00 0.00 -3.24 1.43 -5.15 -1.94 -3.43 116.94 104.60 2a55 h PHE 10 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 2a55 h PHE 10 Cb 0.47 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 36.48 2a55 h PHE 10 CO 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 178.31 176.11 2a55 s ALA 11 N -3.82 -0.79 0.09 12.09 0.00 -1.26 -4.07 121.76 124.00 2a55 s ALA 11 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 51.96 52.07 2a55 s ALA 11 Cb 0.10 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2a55 s ALA 11 CO 0.34 -0.45 -0.18 0.00 0.00 0.00 0.00 175.76 175.47 2a55 s ALA 12 N -2.67 1.53 0.26 0.00 0.00 -1.25 -4.25 121.76 115.38 2a55 s ALA 12 Ca -0.04 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.48 2a55 s ALA 12 Cb -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 23.12 22.80 2a55 s ALA 12 CO -0.04 0.26 1.06 -2.30 0.00 0.00 0.00 175.76 174.74 2a55 n PRO 13 N 1.12 1.32 0.00 0.00 -0.02 -1.26 -0.81 135.00 135.35 2a55 n PRO 13 Ca -0.20 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2a55 n PRO 13 Cb 0.54 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2a55 n PRO 13 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2a55 n MET 14 N 1.04 1.03 -3.03 -0.52 1.56 -1.26 -4.74 117.12 111.20 2a55 n MET 14 Ca 0.11 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.39 2a55 n MET 14 Cb 0.30 -0.09 -0.03 0.00 2.15 0.00 0.00 33.22 35.55 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 -1.87 -3.03 6.12 2.03 -1.26 -4.92 116.55 113.62 2a55 n ASP 15 Ca 0.00 -2.77 0.03 0.00 0.52 0.00 0.00 54.79 52.57 2a55 n ASP 15 Cb 0.00 0.67 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2a55 n ASP 15 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2a55 s ILE 16 N 0.27 -0.47 -0.15 5.18 2.07 -1.26 -4.20 121.20 122.65 2a55 s ILE 16 Ca 0.32 0.00 -0.33 0.00 -1.41 0.00 0.00 60.65 59.23 2a55 s ILE 16 Cb 0.08 -0.23 -0.10 0.00 0.13 0.00 0.00 42.46 42.33 2a55 s ILE 16 CO -0.14 0.00 2.00 0.35 -1.91 0.00 0.00 174.94 175.24 2a55 n THR 17 N 4.55 0.49 0.45 4.00 -2.24 -1.26 -4.78 114.28 115.50 2a55 n THR 17 Ca 0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2a55 n THR 17 Cb 0.59 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 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 8.11 3.06 0.09 3.22 7.99 -1.26 -3.49 117.00 134.72 2a55 n LEU 18 Ca 0.27 -1.46 0.06 0.00 -0.01 0.00 0.00 56.01 54.87 2a55 n LEU 18 Cb 0.32 -0.57 -0.01 0.00 -0.11 0.00 0.00 43.42 43.04 2a55 n LEU 18 CO 0.72 0.54 0.02 0.71 -1.51 0.00 0.00 177.39 177.87 2a55 h THR 19 N 0.48 0.27 -0.98 -5.08 1.35 -2.03 -3.47 112.91 103.45 2a55 h THR 19 Ca 0.00 -1.49 -0.57 0.00 -0.55 0.00 0.00 66.41 63.81 2a55 h THR 19 Cb 0.82 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.01 2a55 h THR 19 CO 0.00 0.15 -0.37 -1.61 -0.25 0.00 0.00 175.52 173.44 2a55 s GLU 20 N -3.15 2.30 0.00 4.72 0.41 -1.23 -5.06 118.70 116.70 2a55 s GLU 20 Ca -0.00 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 52.66 2a55 s GLU 20 Cb 0.09 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 2a55 s GLU 20 CO 0.78 -0.41 0.07 2.41 -0.49 0.00 0.00 175.26 177.63 2a55 n THR 21 N -1.58 0.00 -4.32 3.63 -1.04 -1.26 -5.07 114.28 104.64 2a55 n THR 21 Ca -0.01 -0.24 -0.24 0.00 -2.04 0.00 0.00 64.05 61.52 2a55 n THR 21 Cb 0.64 1.16 -0.12 0.00 -1.82 0.00 0.00 70.33 70.19 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -0.33 1.23 -0.32 -2.82 0.52 -1.26 -3.78 118.95 112.19 2a55 s ARG 22 Ca 0.00 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 2a55 s ARG 22 Cb 0.00 -1.44 0.14 0.00 0.52 0.00 0.00 34.95 34.16 2a55 s ARG 22 CO 0.00 0.32 0.29 -0.06 0.02 0.00 0.00 175.30 175.87 2a55 s PHE 23 N -1.50 -0.26 1.01 -0.53 0.40 -1.26 -5.03 117.98 110.80 2a55 s PHE 23 Ca 0.11 -0.52 -0.22 0.00 -0.60 0.00 0.00 56.93 55.70 2a55 s PHE 23 Cb -0.08 -0.52 -0.15 0.00 0.51 0.00 0.00 43.02 42.77 2a55 s PHE 23 CO 0.06 -0.92 -1.08 0.36 0.70 0.00 0.00 175.22 174.34 2a55 n LYS 24 N 4.93 -0.13 -0.72 0.44 2.85 -1.26 -3.54 118.16 120.74 2a55 n LYS 24 Ca 0.02 -0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.96 2a55 n LYS 24 Cb 0.45 -1.09 0.22 0.00 -0.65 0.00 0.00 35.03 33.95 2a55 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2a55 s THR 25 N -2.04 2.11 0.00 0.58 -4.23 0.16 -2.52 115.64 109.71 2a55 s THR 25 Ca 0.40 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2a55 s THR 25 Cb -0.03 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2a55 s THR 25 CO 0.73 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 2a55 n GLY 26 N 0.26 1.88 3.63 3.99 0.00 -0.93 -4.84 105.19 109.17 2a55 n GLY 26 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2a55 n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a55 n THR 27 N -1.09 0.00 -3.66 2.61 5.66 -1.05 -4.85 114.28 111.90 2a55 n THR 27 Ca 0.00 -0.07 -0.07 0.00 -3.05 0.00 0.00 64.05 60.87 2a55 n THR 27 Cb 0.00 -0.97 -0.08 0.00 -1.55 0.00 0.00 70.33 67.73 2a55 n THR 27 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a55 s THR 28 N -2.59 -0.43 0.00 1.09 2.01 -1.26 -3.63 115.64 110.83 2a55 s THR 28 Ca 0.66 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.73 2a55 s THR 28 Cb -0.23 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2a55 s THR 28 CO 0.60 0.03 0.00 0.18 -0.69 0.00 0.00 174.62 174.74 2a55 n LEU 29 N 4.88 0.00 0.00 4.42 7.99 -1.20 -4.98 117.00 128.11 2a55 n LEU 29 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2a55 n LEU 29 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 2a55 n LEU 29 CO 0.01 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.06 2a55 n LYS 30 N 0.00 0.00 -1.31 3.23 3.00 -1.26 -4.76 118.16 117.05 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -2.31 -3.38 -0.53 5.64 4.01 -1.25 -4.50 117.16 114.85 2a55 n TYR 31 Ca 0.00 1.76 0.00 0.00 -0.16 0.00 0.00 57.90 59.50 2a55 n TYR 31 Cb 0.00 -3.04 0.00 0.00 -0.31 0.00 0.00 39.34 35.99 2a55 n TYR 31 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2a55 n THR 32 N 0.25 0.00 -3.31 -0.72 -2.24 0.01 -4.76 114.28 103.51 2a55 n THR 32 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2a55 n THR 32 Cb 0.00 -1.88 -0.06 0.00 -2.10 0.00 0.00 70.33 66.28 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a55 n LEU 34 N 5.37 0.33 -0.01 0.00 4.77 -1.26 -4.79 117.00 121.41 2a55 n LEU 34 Ca -0.02 1.15 -0.00 0.00 -0.03 0.00 0.00 56.01 57.12 2a55 n LEU 34 Cb 0.50 -1.12 -0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2a55 n LEU 34 CO 0.03 -2.13 0.29 -2.65 -1.33 0.00 0.00 177.39 171.59 2a55 n PRO 35 N 0.96 -0.01 0.26 3.23 -0.02 -1.26 0.07 135.00 138.23 2a55 n PRO 35 Ca 0.14 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 2a55 n PRO 35 Cb 0.27 -0.87 0.72 0.00 -0.02 0.00 0.00 33.50 33.60 2a55 n PRO 35 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2a55 h GLY 36 N 0.00 0.00 -7.30 -1.23 0.00 -1.93 -3.40 103.07 89.21 2a55 h GLY 36 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2a55 h GLY 36 CO -0.01 0.00 0.40 -1.72 0.00 0.00 0.00 176.54 175.21 2a55 n TYR 37 N -3.87 0.99 -2.74 5.60 4.01 0.11 -3.20 117.16 118.06 2a55 n TYR 37 Ca -0.02 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 2a55 n TYR 37 Cb 0.20 -2.30 -0.03 0.00 -0.31 0.00 0.00 39.34 36.90 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 12.44 4.77 0.43 -0.72 1.01 -1.26 -4.48 120.40 132.59 2a55 s VAL 38 Ca 1.00 1.91 -0.21 0.00 0.00 0.00 0.00 61.98 64.67 2a55 s VAL 38 Cb -0.25 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 2a55 s VAL 38 CO 0.17 -0.07 0.96 0.00 0.00 0.00 0.00 175.10 176.16 2a55 s ARG 39 N 2.55 4.20 0.00 2.72 1.70 -1.26 -0.02 118.95 128.83 2a55 s ARG 39 Ca 0.43 1.16 0.10 0.00 -0.47 0.00 0.00 55.73 56.96 2a55 s ARG 39 Cb -0.16 -2.21 0.21 0.00 -0.57 0.00 0.00 34.95 32.22 2a55 s ARG 39 CO 0.11 -0.06 1.08 0.45 -1.08 0.00 0.00 175.30 175.81 2a55 n SER 40 N -0.61 2.49 -2.25 -2.89 2.88 -0.73 -4.88 113.62 107.63 2a55 n SER 40 Ca 0.07 -1.78 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 2a55 n SER 40 Cb 0.54 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.51 -4.37 0.00 0.66 -0.00 -1.26 -5.00 115.22 105.75 2a55 n HIS 41 Ca 0.09 2.61 0.00 0.00 -0.00 0.00 0.00 57.72 60.42 2a55 n HIS 41 Cb 0.36 -3.47 0.00 0.00 -0.00 0.00 0.00 29.99 26.87 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2a55 n SER 42 N 1.89 0.00 -0.42 0.41 7.64 -1.26 -5.02 113.62 116.86 2a55 n SER 42 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a55 n SER 42 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.03 0.00 0.00 0.44 -1.04 -1.26 -4.65 114.28 107.73 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 -3.93 -2.82 -0.06 -1.26 -4.66 117.38 104.65 2a55 n GLN 44 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.91 2a55 n GLN 44 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2a55 s THR 45 N 0.00 0.03 -0.26 1.69 -4.23 -1.26 -4.71 115.64 106.90 2a55 s THR 45 Ca 0.00 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2a55 s THR 45 Cb 0.00 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.97 2a55 s THR 45 CO 0.00 -0.14 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.09 2a55 s LEU 46 N -2.97 3.49 -0.01 4.79 1.02 -1.26 -4.83 118.68 118.91 2a55 s LEU 46 Ca 0.18 -1.44 0.02 0.00 0.02 0.00 0.00 54.13 52.91 2a55 s LEU 46 Cb 0.01 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.65 2a55 s LEU 46 CO 0.03 -0.21 -0.04 -0.89 0.02 0.00 0.00 176.35 175.26 2a55 s THR 47 N 1.10 3.84 -0.22 5.49 2.01 -1.26 -3.21 115.64 123.40 2a55 s THR 47 Ca -0.07 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 2a55 s THR 47 Cb -0.20 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2a55 s THR 47 CO -0.05 0.43 1.24 0.00 -0.69 0.00 0.00 174.62 175.55 2a55 s ASN 49 N 2.12 5.13 -1.48 0.00 2.20 -1.17 -2.20 114.94 119.53 2a55 s ASN 49 Ca 0.54 -0.70 -0.09 0.00 -0.94 0.00 0.00 52.86 51.67 2a55 s ASN 49 Cb -0.19 0.06 0.01 0.00 -2.00 0.00 0.00 41.25 39.13 2a55 s ASN 49 CO 0.16 -1.29 2.62 -0.24 -2.94 0.00 0.00 177.10 175.41 2a55 n SER 50 N -2.24 7.81 0.00 3.54 2.88 -1.26 -3.20 113.62 121.15 2a55 n SER 50 Ca 0.14 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 2a55 n SER 50 Cb 0.61 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2a55 n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a55 n ASP 51 N 3.20 0.00 -0.85 -3.46 9.92 -1.26 -5.00 116.55 119.09 2a55 n ASP 51 Ca 0.68 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.79 53.83 2a55 n ASP 51 Cb 0.26 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.69 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.16 3.29 0.44 0.00 -1.20 -4.96 105.19 103.92 2a55 n GLY 52 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.80 1.34 -0.36 1.61 -1.05 -1.26 -3.04 118.70 113.13 2a55 s GLU 53 Ca 0.00 -1.71 -0.17 0.00 -0.15 0.00 0.00 54.97 52.93 2a55 s GLU 53 Cb 0.00 -0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.51 2a55 s GLU 53 CO 0.00 -0.29 0.47 -1.58 0.95 0.00 0.00 175.26 174.82 2a55 s TRP 54 N -3.80 3.18 0.04 4.83 0.52 -1.26 -3.03 118.94 119.41 2a55 s TRP 54 Ca 0.36 0.04 -0.07 0.00 0.02 0.00 0.00 56.10 56.45 2a55 s TRP 54 Cb 0.07 -2.88 -0.05 0.00 -1.15 0.00 0.00 33.47 29.46 2a55 s TRP 54 CO 0.12 -0.56 0.30 0.08 0.02 0.00 0.00 176.95 176.92 2a55 s VAL 55 N 2.29 5.25 0.00 4.03 1.01 -1.22 -4.97 120.40 126.79 2a55 s VAL 55 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2a55 s VAL 55 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2a55 s VAL 55 CO 0.13 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.54 2a55 n TYR 56 N 0.93 0.00 -2.97 5.22 4.11 -1.26 -4.07 117.16 119.12 2a55 n TYR 56 Ca -0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.63 2a55 n TYR 56 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.88 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2a55 s ASN 57 N 0.00 5.61 -0.88 9.48 -0.87 -1.26 -5.04 114.94 121.98 2a55 s ASN 57 Ca 0.00 -0.33 -0.19 0.00 -1.57 0.00 0.00 52.86 50.77 2a55 s ASN 57 Cb 0.00 -0.73 0.12 0.00 -0.02 0.00 0.00 41.25 40.62 2a55 s ASN 57 CO 0.00 -0.81 1.08 -0.89 -2.57 0.00 0.00 177.10 173.91 2a55 s THR 58 N -2.41 4.71 0.00 1.60 2.01 -1.26 -4.71 115.64 115.58 2a55 s THR 58 Ca 0.55 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 61.12 2a55 s THR 58 Cb -0.10 -4.75 0.00 0.00 0.01 0.00 0.00 72.50 67.66 2a55 s THR 58 CO 0.34 -1.47 0.00 2.22 -0.69 0.00 0.00 174.62 175.02 2a55 n PHE 59 N 6.61 0.00 -2.00 4.92 -1.74 -1.26 -4.57 117.46 119.42 2a55 n PHE 59 Ca 0.19 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.65 2a55 n PHE 59 Cb 0.48 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.46 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 5.89 0.00 -1.61 0.00 -5.35 0.96 -4.68 119.36 114.57 2a55 n ILE 61 Ca 0.18 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2a55 n ILE 61 Cb 0.44 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 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 0.16 -3.89 -2.71 4.28 4.19 -1.15 -4.76 117.16 113.29 2a55 n TYR 62 Ca 0.04 2.20 -0.06 0.00 3.31 0.00 0.00 57.90 63.38 2a55 n TYR 62 Cb 0.19 -3.29 0.08 0.00 0.49 0.00 0.00 39.34 36.80 2a55 n TYR 62 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 2a55 n LYS 63 N 0.94 0.54 0.00 2.98 2.85 -1.20 -4.69 118.16 119.59 2a55 n LYS 63 Ca 0.00 -1.31 0.00 0.00 -1.05 0.00 0.00 58.31 55.95 2a55 n LYS 63 Cb 0.00 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 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 1.09 1.21 -4.87 -1.58 1.85 -1.26 -4.13 116.66 108.96 2a55 n ARG 64 Ca 0.03 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.62 2a55 n ARG 64 Cb 0.69 0.00 -0.16 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 -0.08 4.29 0.18 0.00 6.06 -1.26 -4.86 118.95 123.27 2a55 s ARG 66 Ca -0.01 2.31 -0.32 0.00 -2.50 0.00 0.00 55.73 55.20 2a55 s ARG 66 Cb -0.11 -3.05 -0.16 0.00 0.06 0.00 0.00 34.95 31.70 2a55 s ARG 66 CO 0.02 -0.28 1.02 0.72 -2.50 0.00 0.00 175.30 174.28 2a55 n HIS 67 N 0.80 0.94 -0.10 5.12 8.25 -1.26 -4.68 115.22 124.29 2a55 n HIS 67 Ca 0.01 0.77 -0.00 0.00 -0.26 0.00 0.00 57.72 58.23 2a55 n HIS 67 Cb 0.41 -2.20 0.27 0.00 1.12 0.00 0.00 29.99 29.59 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 2.72 0.75 0.00 -0.41 0.13 -1.97 -3.49 132.00 129.73 2a55 h PRO 68 Ca -0.41 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2a55 h PRO 68 Cb 1.37 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a55 h PRO 68 CO 0.66 0.61 0.00 0.41 -0.23 0.00 0.00 178.00 179.45 2a55 n GLY 69 N -1.11 -1.17 3.73 1.56 0.00 -1.26 -4.41 105.19 102.52 2a55 n GLY 69 Ca 0.04 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.95 4.68 -0.70 1.61 2.56 -1.26 -4.88 118.70 119.77 2a55 s GLU 70 Ca 0.00 1.50 -0.18 0.00 0.00 0.00 0.00 54.97 56.28 2a55 s GLU 70 Cb 0.00 -3.36 0.12 0.00 2.00 0.00 0.00 34.13 32.89 2a55 s GLU 70 CO 0.00 0.19 0.81 -1.17 -0.56 0.00 0.00 175.26 174.54 2a55 s LEU 71 N -0.07 5.45 0.05 2.70 0.20 -1.26 -4.96 118.68 120.79 2a55 s LEU 71 Ca 0.47 -1.70 -0.30 0.00 0.69 0.00 0.00 54.13 53.29 2a55 s LEU 71 Cb -0.24 -2.32 -0.09 0.00 -0.43 0.00 0.00 46.19 43.11 2a55 s LEU 71 CO 0.31 -1.05 1.84 -0.60 -0.29 0.00 0.00 176.35 176.55 2a55 s ARG 72 N 2.43 4.15 -0.96 1.98 3.52 -1.26 -0.33 118.95 128.48 2a55 s ARG 72 Ca 0.17 2.50 -0.01 0.00 -0.13 0.00 0.00 55.73 58.26 2a55 s ARG 72 Cb -0.18 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.31 2a55 s ARG 72 CO 0.01 -0.88 0.81 0.09 -0.81 0.00 0.00 175.30 174.52 2a55 n ASN 73 N 6.68 -2.69 -3.61 -2.12 3.02 -1.26 -4.73 115.26 110.54 2a55 n ASN 73 Ca 0.18 -0.47 -0.00 0.00 -0.03 0.00 0.00 54.58 54.26 2a55 n ASN 73 Cb 0.40 -4.09 0.01 0.00 -0.61 0.00 0.00 39.78 35.49 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 -3.90 -0.11 -0.01 7.41 0.00 0.55 -2.36 107.32 108.90 2a55 s GLY 74 Ca 0.09 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.87 2a55 s GLY 74 CO 0.57 2.87 -0.05 1.20 0.00 0.00 0.00 173.10 177.68 2a55 s GLN 75 N -2.27 0.49 -0.39 2.90 -1.52 0.10 -4.54 119.66 114.43 2a55 s GLN 75 Ca 0.22 -0.18 -0.11 0.00 -1.95 0.00 0.00 55.36 53.34 2a55 s GLN 75 Cb -0.00 -0.48 0.04 0.00 -0.22 0.00 0.00 33.01 32.35 2a55 s GLN 75 CO 0.01 0.10 0.23 0.08 -0.25 0.00 0.00 175.29 175.45 2a55 s VAL 76 N 0.00 4.52 -0.59 1.09 1.01 -1.26 -2.10 120.40 123.08 2a55 s VAL 76 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.73 2a55 s VAL 76 Cb -0.04 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2a55 s VAL 76 CO -0.00 -0.31 1.89 -0.70 0.00 0.00 0.00 175.10 175.97 2a55 s GLU 77 N 1.53 2.64 -0.17 2.72 2.56 -0.46 -4.95 118.70 122.57 2a55 s GLU 77 Ca 0.02 0.71 -0.01 0.00 0.00 0.00 0.00 54.97 55.69 2a55 s GLU 77 Cb -0.20 -4.39 -0.01 0.00 2.00 0.00 0.00 34.13 31.53 2a55 s GLU 77 CO 0.06 -2.71 -0.12 0.42 -0.56 0.00 0.00 175.26 172.35 2a55 s ILE 78 N 9.13 2.93 0.00 -3.70 -1.09 -1.26 -4.32 121.20 122.89 2a55 s ILE 78 Ca 0.70 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2a55 s ILE 78 Cb -0.13 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.49 2a55 s ILE 78 CO 0.22 0.49 0.67 2.29 -1.23 0.00 0.00 174.94 177.38 2a55 n LYS 79 N 4.16 0.00 -0.19 2.79 0.00 -1.26 -4.90 118.16 118.75 2a55 n LYS 79 Ca -0.19 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.77 2a55 n LYS 79 Cb 0.52 0.08 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 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 0.01 0.00 -0.98 0.58 -2.24 -1.26 -4.97 114.28 105.42 2a55 n THR 80 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2a55 n THR 80 Cb 0.58 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2a55 n THR 80 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2a55 n ASP 81 N 0.00 -5.69 -2.59 3.42 8.00 -1.26 -1.91 116.55 116.52 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 0.56 -3.42 0.05 0.00 -0.02 0.00 0.00 41.12 38.29 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 -3.76 -4.71 0.64 4.32 -1.26 -4.88 117.00 107.35 2a55 n LEU 82 Ca 0.00 -0.42 -0.38 0.00 -0.02 0.00 0.00 56.01 55.19 2a55 n LEU 82 Cb 0.47 -2.22 -0.06 0.00 -1.62 0.00 0.00 43.42 39.99 2a55 n LEU 82 CO 0.00 0.17 0.18 -0.94 -1.22 0.00 0.00 177.39 175.57 2a55 s SER 83 N -3.61 6.66 0.13 -1.43 1.04 -0.80 -2.03 113.70 113.66 2a55 s SER 83 Ca 0.13 0.79 -0.21 0.00 0.48 0.00 0.00 55.95 57.13 2a55 s SER 83 Cb -0.02 -2.28 -0.13 0.00 0.10 0.00 0.00 66.02 63.69 2a55 s SER 83 CO 0.47 -0.02 0.41 0.33 0.98 0.00 0.00 173.24 175.41 2a55 n PHE 84 N 3.83 -0.29 -1.73 5.02 7.35 -1.26 -3.60 117.46 126.78 2a55 n PHE 84 Ca -0.07 0.71 0.00 0.00 -0.76 0.00 0.00 57.45 57.33 2a55 n PHE 84 Cb 0.51 -1.44 0.00 0.00 0.35 0.00 0.00 39.48 38.91 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 1.43 0.60 3.34 7.13 0.00 -1.25 -5.04 105.19 111.39 2a55 n GLY 85 Ca 0.13 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.67 -0.27 -0.03 1.61 1.04 -1.24 -4.99 113.70 107.16 2a55 s SER 86 Ca 0.00 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.22 2a55 s SER 86 Cb 0.00 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2a55 s SER 86 CO 0.00 -0.88 -0.26 0.00 0.98 0.00 0.00 173.24 173.09 2a55 s GLN 87 N -3.80 2.19 -0.34 4.02 1.03 -1.23 -3.34 119.66 118.18 2a55 s GLN 87 Ca 0.03 -0.92 0.03 0.00 0.04 0.00 0.00 55.36 54.53 2a55 s GLN 87 Cb 0.01 -2.06 0.10 0.00 0.03 0.00 0.00 33.01 31.10 2a55 s GLN 87 CO -0.12 0.52 0.07 0.96 -2.54 0.00 0.00 175.29 174.19 2a55 s ILE 88 N -0.52 1.89 0.92 3.63 -4.36 -1.03 -4.84 121.20 116.89 2a55 s ILE 88 Ca 0.07 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.23 2a55 s ILE 88 Cb -0.11 -2.40 0.13 0.00 1.25 0.00 0.00 42.46 41.33 2a55 s ILE 88 CO -0.00 -0.63 1.07 -0.62 0.24 0.00 0.00 174.94 174.99 2a55 n GLU 89 N 4.36 -0.40 -4.64 0.37 1.02 -1.25 -3.90 120.64 116.20 2a55 n GLU 89 Ca 0.02 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.80 2a55 n GLU 89 Cb 0.42 -2.32 -0.07 0.00 -0.02 0.00 0.00 31.44 29.44 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 -4.12 0.85 -3.38 -0.32 3.01 -1.18 -1.35 117.46 110.96 2a55 n PHE 90 Ca 0.12 -2.60 0.02 0.00 1.01 0.00 0.00 57.45 55.99 2a55 n PHE 90 Cb 0.52 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2a55 s SER 91 N -3.76 -0.87 -0.10 4.37 1.04 -0.89 -4.91 113.70 108.58 2a55 s SER 91 Ca 0.07 0.94 -0.27 0.00 0.48 0.00 0.00 55.95 57.17 2a55 s SER 91 Cb 0.00 1.89 -0.02 0.00 0.10 0.00 0.00 66.02 67.99 2a55 s SER 91 CO 0.05 -0.17 0.89 0.00 0.98 0.00 0.00 173.24 174.99 2a55 n SER 93 N 4.63 -2.90 0.00 0.00 7.64 -1.00 -4.62 113.62 117.37 2a55 n SER 93 Ca 0.05 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.58 2a55 n SER 93 Cb 0.50 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -1.21 0.00 0.00 1.43 2.13 -1.26 -1.45 120.64 120.28 2a55 n GLU 94 Ca 0.05 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2a55 n GLU 94 Cb 0.27 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.98 0.83 3.38 8.31 0.00 -1.26 -4.68 105.19 110.79 2a55 n GLY 95 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.09 -0.45 0.32 1.61 0.08 -0.53 -3.72 117.98 115.38 2a55 s PHE 96 Ca 0.00 0.92 0.08 0.00 0.12 0.00 0.00 56.93 58.04 2a55 s PHE 96 Cb 0.00 0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.63 2a55 s PHE 96 CO 0.00 -0.40 0.19 -0.59 -0.10 0.00 0.00 175.22 174.31 2a55 s PHE 97 N -0.69 2.82 0.11 0.36 -0.71 -1.02 -4.02 117.98 114.83 2a55 s PHE 97 Ca -0.08 -0.31 -0.18 0.00 -1.04 0.00 0.00 56.93 55.33 2a55 s PHE 97 Cb -0.03 -1.63 -0.07 0.00 -1.21 0.00 0.00 43.02 40.08 2a55 s PHE 97 CO 0.04 0.33 0.57 -1.17 -1.34 0.00 0.00 175.22 173.66 2a55 s LEU 98 N -3.88 4.46 -0.31 -1.99 0.20 -1.26 -3.62 118.68 112.27 2a55 s LEU 98 Ca 0.38 1.22 0.04 0.00 0.69 0.00 0.00 54.13 56.46 2a55 s LEU 98 Cb -0.05 -3.06 0.20 0.00 -0.43 0.00 0.00 46.19 42.85 2a55 s LEU 98 CO 0.24 0.20 0.65 -0.63 -0.29 0.00 0.00 176.35 176.52 2a55 s ILE 99 N -1.25 -0.91 0.00 6.68 1.01 -1.15 -4.98 121.20 120.59 2a55 s ILE 99 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2a55 s ILE 99 Cb -0.18 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.54 2a55 s ILE 99 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2a55 n GLY 100 N 5.20 0.00 2.40 6.18 0.00 -1.26 0.06 105.19 117.77 2a55 n GLY 100 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.10 0.00 1.61 2.88 -1.26 -4.39 113.62 111.36 2a55 n SER 101 Ca 0.00 1.18 0.03 0.00 -1.33 0.00 0.00 58.87 58.74 2a55 n SER 101 Cb 0.00 -4.62 0.15 0.00 -0.75 0.00 0.00 64.21 58.99 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 1.46 0.18 -4.41 2.46 -2.24 -1.26 -4.59 114.28 105.88 2a55 n THR 102 Ca -0.34 0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.28 2a55 n THR 102 Cb 0.53 -0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 67.69 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 -2.11 1.94 -0.18 4.28 -4.23 -1.26 -3.11 115.64 110.98 2a55 s THR 103 Ca 0.07 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.30 2a55 s THR 103 Cb 0.03 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.72 2a55 s THR 103 CO 0.06 -0.46 0.20 -0.55 -0.54 0.00 0.00 174.62 173.33 2a55 s SER 104 N -3.41 1.34 0.44 3.99 0.15 -1.25 -4.88 113.70 110.07 2a55 s SER 104 Ca 0.26 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.80 2a55 s SER 104 Cb -0.01 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2a55 s SER 104 CO 0.11 -0.31 0.63 -0.13 1.20 0.00 0.00 173.24 174.74 2a55 s ARG 105 N 2.30 2.99 -0.24 5.44 0.52 -1.26 -2.46 118.95 126.25 2a55 s ARG 105 Ca 0.05 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.58 2a55 s ARG 105 Cb -0.15 -2.62 0.04 0.00 0.52 0.00 0.00 34.95 32.74 2a55 s ARG 105 CO -0.11 -0.25 -0.11 0.00 0.02 0.00 0.00 175.30 174.85 2a55 s GLU 107 N 1.24 2.04 -0.04 0.00 2.56 -0.69 -3.92 118.70 119.89 2a55 s GLU 107 Ca -0.02 -1.98 0.02 0.00 0.00 0.00 0.00 54.97 53.00 2a55 s GLU 107 Cb -0.17 -1.78 0.01 0.00 2.00 0.00 0.00 34.13 34.19 2a55 s GLU 107 CO -0.07 -0.04 -0.08 0.08 -0.56 0.00 0.00 175.26 174.59 2a55 s VAL 108 N -2.65 0.78 -0.14 3.70 1.01 -1.26 0.68 120.40 122.52 2a55 s VAL 108 Ca 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2a55 s VAL 108 Cb 0.06 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.75 2a55 s VAL 108 CO 0.19 0.26 -0.05 -1.10 0.00 0.00 0.00 175.10 174.40 2a55 s GLN 109 N 0.56 1.38 2.09 2.72 -0.21 0.87 -4.97 119.66 122.10 2a55 s GLN 109 Ca -0.09 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 54.90 2a55 s GLN 109 Cb -0.12 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.07 2a55 s GLN 109 CO 0.01 -0.38 0.00 -0.25 -2.12 0.00 0.00 175.29 172.55 2a55 n ASP 110 N 4.92 0.00 -1.28 5.90 8.00 -1.26 -0.08 116.55 132.75 2a55 n ASP 110 Ca -0.12 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.40 2a55 n ASP 110 Cb 0.49 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.69 2a55 n ASP 110 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2a55 n ARG 111 N 0.00 1.21 -3.66 -1.24 1.85 -1.26 -5.01 116.66 108.55 2a55 n ARG 111 Ca 0.00 -2.92 -0.15 0.00 -1.00 0.00 0.00 57.85 53.78 2a55 n ARG 111 Cb 0.00 -1.07 -0.14 0.00 -1.05 0.00 0.00 32.46 30.20 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2a55 s GLY 112 N -2.86 -0.05 0.28 2.89 0.00 0.89 -5.15 107.32 103.32 2a55 s GLY 112 Ca 0.37 0.77 0.12 0.00 0.00 0.00 0.00 44.72 45.97 2a55 s GLY 112 CO -0.09 1.87 -0.19 0.54 0.00 0.00 0.00 173.10 175.23 2a55 s VAL 113 N 2.37 2.53 -4.14 1.40 0.11 -1.26 -0.09 120.40 121.32 2a55 s VAL 113 Ca 0.02 -2.38 0.00 0.00 -2.93 0.00 0.00 61.98 56.70 2a55 s VAL 113 Cb -0.12 -2.34 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 2a55 s VAL 113 CO -0.08 -0.39 0.00 0.61 -3.33 0.00 0.00 175.10 171.91 2a55 n GLY 114 N -0.64 0.88 3.74 6.54 0.00 0.21 -4.40 105.19 111.53 2a55 n GLY 114 Ca -0.05 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2a55 n GLY 114 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2a55 n TRP 115 N 6.14 2.77 0.15 1.61 7.02 -1.24 -1.71 117.44 132.18 2a55 n TRP 115 Ca 0.00 0.35 0.04 0.00 -1.02 0.00 0.00 57.50 56.86 2a55 n TRP 115 Cb 0.00 -2.55 0.05 0.00 -2.42 0.00 0.00 31.31 26.39 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 4.08 0.00 -3.56 -0.99 0.87 -1.95 -3.45 113.55 108.55 2a55 h SER 116 Ca -0.48 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.97 2a55 h SER 116 Cb 1.24 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.95 2a55 h SER 116 CO 0.74 0.45 -0.25 -2.28 -0.53 0.00 0.00 176.83 174.95 2a55 s HIS 117 N -3.00 -0.54 0.00 2.24 5.65 -1.26 -5.15 115.29 113.22 2a55 s HIS 117 Ca 0.04 1.23 0.00 0.00 0.25 0.00 0.00 55.06 56.58 2a55 s HIS 117 Cb 0.07 0.22 0.00 0.00 -1.18 0.00 0.00 32.58 31.69 2a55 s HIS 117 CO 0.74 -0.29 0.00 -0.35 -0.65 0.00 0.00 174.74 174.19 2a55 n PRO 118 N 3.55 2.90 -1.26 2.88 -0.04 -1.26 -4.89 135.00 136.87 2a55 n PRO 118 Ca -0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2a55 n PRO 118 Cb 0.56 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.01 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 -1.95 0.00 1.53 7.99 -1.26 -4.98 117.00 118.32 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 -0.86 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 2a55 n LEU 119 CO 0.00 -3.38 0.00 -0.81 -1.51 0.00 0.00 177.39 171.69 2a55 n PRO 120 N 1.10 2.50 -3.76 3.23 -0.04 -1.26 -5.01 135.00 131.75 2a55 n PRO 120 Ca 0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 2a55 n PRO 120 Cb 0.31 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.60 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N 0.00 0.71 -0.44 0.54 0.74 0.11 -4.91 119.66 116.41 2a55 s GLN 121 Ca 0.00 -0.23 -0.14 0.00 0.05 0.00 0.00 55.36 55.04 2a55 s GLN 121 Cb 0.00 -1.68 0.06 0.00 1.10 0.00 0.00 33.01 32.49 2a55 s GLN 121 CO 0.00 -0.50 0.33 0.00 -0.55 0.00 0.00 175.29 174.58 2a55 s GLU 123 N 1.60 1.84 0.31 0.00 2.02 -1.24 -4.91 118.70 118.33 2a55 s GLU 123 Ca 0.04 -0.95 -0.29 0.00 0.02 0.00 0.00 54.97 53.79 2a55 s GLU 123 Cb -0.22 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 32.03 2a55 s GLU 123 CO 0.07 0.50 1.35 -1.50 0.02 0.00 0.00 175.26 175.69 2a55 s ILE 124 N -0.67 2.68 0.00 -1.63 2.07 -1.24 -2.42 121.20 119.99 2a55 s ILE 124 Ca 0.10 0.66 0.00 0.00 -1.41 0.00 0.00 60.65 59.99 2a55 s ILE 124 Cb -0.09 -3.42 0.00 0.00 0.13 0.00 0.00 42.46 39.08 2a55 s ILE 124 CO 0.00 0.14 0.28 0.18 -1.91 0.00 0.00 174.94 173.64 2a55 n LEU 125 N 1.20 1.03 -4.12 8.50 4.77 -1.25 -4.94 117.00 122.19 2a55 n LEU 125 Ca 0.02 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 2a55 n LEU 125 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2a55 n LEU 125 CO 0.60 0.00 0.11 -1.61 -1.33 0.00 0.00 177.39 175.16 2a55 s GLU 126 N -0.56 1.93 1.24 3.23 0.41 -1.26 -5.14 118.70 118.55 2a55 s GLU 126 Ca 0.00 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.74 2a55 s GLU 126 Cb 0.00 0.43 0.00 0.00 -1.78 0.00 0.00 34.13 32.78 2a55 s GLU 126 CO 0.00 -0.79 0.00 0.72 -0.49 0.00 0.00 175.26 174.70 2a55 n HIS 127 N -0.59 -2.65 -1.80 1.61 8.25 -1.26 -5.03 115.22 113.75 2a55 n HIS 127 Ca 0.02 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 2a55 n HIS 127 Cb 0.61 -1.20 0.00 0.00 1.12 0.00 0.00 29.99 30.52 2a55 n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2a55 n HIS 128 N -2.85 -4.01 -4.31 4.41 8.25 -1.26 -5.09 115.22 110.36 2a55 n HIS 128 Ca 0.00 2.41 -0.16 0.00 -0.26 0.00 0.00 57.72 59.71 2a55 n HIS 128 Cb 0.27 -3.39 -0.05 0.00 1.12 0.00 0.00 29.99 27.94 2a55 n HIS 128 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 129 N 1.53 -0.03 -4.37 4.41 1.44 -1.26 -5.16 115.22 111.78 2a55 n HIS 129 Ca 0.00 -1.79 -0.31 0.00 -2.01 0.00 0.00 57.72 53.61 2a55 n HIS 129 Cb 0.00 0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.04 2a55 n HIS 129 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2a55 s HIS 130 N -2.64 2.80 0.30 -1.40 3.76 -1.26 -5.13 115.29 111.72 2a55 s HIS 130 Ca 0.16 -0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.90 2a55 s HIS 130 Cb 0.01 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.18 2a55 s HIS 130 CO 0.12 0.39 0.47 -3.38 -0.85 0.00 0.00 174.74 171.49 2a55 s HIS 131 N -1.10 0.75 -2.40 1.40 -3.43 -1.26 -5.35 115.29 103.90 2a55 s HIS 131 Ca 0.19 -1.06 0.29 0.00 -0.80 0.00 0.00 55.06 53.68 2a55 s HIS 131 Cb -0.11 0.05 1.22 0.00 -1.43 0.00 0.00 32.58 32.31 2a55 s HIS 131 CO 0.11 -1.08 1.84 1.58 -2.00 0.00 0.00 174.74 175.18