#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 0.48 7.83 -0.87 -1.26 -3.40 114.94 124.16 2a55 s ASN 1 Ca 0.00 0.72 0.04 0.00 -1.57 0.00 0.00 52.86 52.06 2a55 s ASN 1 Cb 0.00 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 39.10 2a55 s ASN 1 CO 0.00 -0.22 0.67 0.00 -2.57 0.00 0.00 177.10 174.99 2a55 s GLY 3 N -4.37 2.19 -0.04 0.00 0.00 -1.19 -4.45 107.32 99.45 2a55 s GLY 3 Ca 0.55 0.39 -0.39 0.00 0.00 0.00 0.00 44.72 45.27 2a55 s GLY 3 CO 0.36 0.70 1.29 -1.05 0.00 0.00 0.00 173.10 174.40 2a55 n PRO 4 N -1.74 0.54 -1.59 2.90 -0.02 -1.24 -4.81 135.00 129.04 2a55 n PRO 4 Ca 0.08 0.19 -0.49 0.00 -2.02 0.00 0.00 63.50 61.27 2a55 n PRO 4 Cb 0.53 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.50 1.24 -0.83 0.52 -0.02 -1.26 -4.99 135.00 132.15 2a55 n PRO 5 Ca 0.21 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 2a55 n PRO 5 Cb 0.11 -1.97 0.06 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.87 -0.18 -2.74 0.52 -0.05 -1.26 -5.01 135.00 128.15 2a55 n PRO 6 Ca 0.15 -0.76 -0.38 0.00 -0.05 0.00 0.00 63.50 62.46 2a55 n PRO 6 Cb 0.25 -0.38 0.01 0.00 -0.05 0.00 0.00 33.50 33.32 2a55 n PRO 6 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2a55 n THR 7 N -2.38 5.40 -1.69 0.52 -1.04 -1.26 -4.96 114.28 108.87 2a55 n THR 7 Ca 0.06 -5.89 -0.58 0.00 -2.04 0.00 0.00 64.05 55.59 2a55 n THR 7 Cb 0.19 -1.58 -0.07 0.00 -1.82 0.00 0.00 70.33 67.05 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2a55 n LEU 8 N 0.04 1.99 0.00 -4.42 4.77 -1.25 -4.75 117.00 113.37 2a55 n LEU 8 Ca 0.42 1.10 0.08 0.00 -0.03 0.00 0.00 56.01 57.58 2a55 n LEU 8 Cb 0.29 -1.10 0.48 0.00 -2.33 0.00 0.00 43.42 40.76 2a55 n LEU 8 CO 0.50 -0.65 0.71 -1.54 -1.33 0.00 0.00 177.39 175.08 2a55 n SER 9 N 4.57 0.00 -1.99 -1.43 3.41 -1.26 -2.33 113.62 114.59 2a55 n SER 9 Ca 0.26 -0.38 -0.23 0.00 -0.26 0.00 0.00 58.87 58.26 2a55 n SER 9 Cb 0.11 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.08 2.68 0.00 7.33 -1.74 -1.26 -4.79 117.46 118.61 2a55 n PHE 10 Ca 0.11 -2.21 0.00 0.00 -0.56 0.00 0.00 57.45 54.79 2a55 n PHE 10 Cb 0.08 -0.35 0.00 0.00 1.52 0.00 0.00 39.48 40.72 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 n ALA 11 N -0.72 0.00 -2.52 1.98 0.00 -0.98 -4.39 120.51 113.87 2a55 n ALA 11 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 2a55 n ALA 11 Cb 0.96 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.00 0.51 0.43 0.00 0.00 0.24 -3.95 121.76 116.99 2a55 s ALA 12 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 2a55 s ALA 12 Cb 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 23.12 23.15 2a55 s ALA 12 CO 0.00 -0.21 0.34 -2.30 0.00 0.00 0.00 175.76 173.59 2a55 n PRO 13 N 0.79 0.32 0.00 0.00 -0.02 -1.26 -0.54 135.00 134.28 2a55 n PRO 13 Ca -0.18 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2a55 n PRO 13 Cb 0.58 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 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 0.85 0.00 -3.01 -0.52 1.56 -1.26 -4.64 117.12 110.11 2a55 n MET 14 Ca 0.11 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.41 2a55 n MET 14 Cb 0.41 -0.27 -0.03 0.00 2.15 0.00 0.00 33.22 35.48 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 -0.57 -2.24 -3.01 6.12 2.03 -1.26 -4.91 116.55 112.71 2a55 n ASP 15 Ca 0.00 -2.73 0.04 0.00 0.52 0.00 0.00 54.79 52.62 2a55 n ASP 15 Cb 0.00 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.51 -0.35 -0.11 5.18 2.07 -1.26 -4.07 121.20 123.16 2a55 s ILE 16 Ca 0.31 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 59.23 2a55 s ILE 16 Cb 0.03 -0.19 -0.10 0.00 0.13 0.00 0.00 42.46 42.33 2a55 s ILE 16 CO -0.12 0.00 2.00 0.35 -1.91 0.00 0.00 174.94 175.26 2a55 n THR 17 N 4.54 0.55 0.81 4.00 -2.24 -1.26 -4.78 114.28 115.90 2a55 n THR 17 Ca 0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2a55 n THR 17 Cb 0.59 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 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 8.05 2.42 0.12 3.22 7.99 -1.26 -3.59 117.00 133.95 2a55 n LEU 18 Ca 0.25 -1.21 0.01 0.00 -0.01 0.00 0.00 56.01 55.05 2a55 n LEU 18 Cb 0.34 -0.40 -0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2a55 n LEU 18 CO 0.71 0.40 0.40 0.71 -1.51 0.00 0.00 177.39 178.11 2a55 h THR 19 N 0.19 1.03 -3.96 -5.08 1.35 -2.04 -3.46 112.91 100.95 2a55 h THR 19 Ca 0.00 -2.45 -0.01 0.00 -0.55 0.00 0.00 66.41 63.40 2a55 h THR 19 Cb 0.81 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 2a55 h THR 19 CO 0.00 0.59 -0.00 -0.62 -0.25 0.00 0.00 175.52 175.23 2a55 n GLU 20 N -3.25 0.95 0.00 4.72 -0.58 -1.24 -5.07 120.64 116.18 2a55 n GLU 20 Ca 0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2a55 n GLU 20 Cb 0.78 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 31.64 2a55 n GLU 20 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2a55 n THR 21 N -1.07 0.00 -4.36 2.62 -1.04 -1.26 -5.09 114.28 104.08 2a55 n THR 21 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2a55 n THR 21 Cb 0.01 0.43 -0.13 0.00 -1.82 0.00 0.00 70.33 68.82 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N 0.00 1.23 -0.31 -2.82 0.52 -1.26 -3.70 118.95 112.61 2a55 s ARG 22 Ca 0.00 -1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 54.03 2a55 s ARG 22 Cb 0.00 -1.52 0.13 0.00 0.52 0.00 0.00 34.95 34.08 2a55 s ARG 22 CO 0.00 0.36 0.26 -0.06 0.02 0.00 0.00 175.30 175.88 2a55 s PHE 23 N -1.09 -0.14 1.00 -0.53 0.40 -1.26 -5.05 117.98 111.31 2a55 s PHE 23 Ca 0.08 -0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 55.61 2a55 s PHE 23 Cb -0.10 -0.60 -0.15 0.00 0.51 0.00 0.00 43.02 42.68 2a55 s PHE 23 CO 0.04 -0.90 -1.04 0.36 0.70 0.00 0.00 175.22 174.39 2a55 n LYS 24 N 5.00 -0.08 -0.63 0.44 2.85 -1.26 -3.88 118.16 120.59 2a55 n LYS 24 Ca 0.01 -0.02 -0.29 0.00 -1.05 0.00 0.00 58.31 56.95 2a55 n LYS 24 Cb 0.44 -1.07 0.22 0.00 -0.65 0.00 0.00 35.03 33.97 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 -2.03 2.08 0.00 0.58 -4.23 -1.22 -2.44 115.64 108.38 2a55 s THR 25 Ca 0.40 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2a55 s THR 25 Cb -0.06 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2a55 s THR 25 CO 0.74 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 2a55 n GLY 26 N 0.49 2.12 3.66 3.99 0.00 -0.80 -4.82 105.19 109.83 2a55 n GLY 26 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.17 2.03 -3.68 2.61 5.66 -1.02 -4.83 114.28 113.87 2a55 n THR 27 Ca 0.00 -0.23 -0.11 0.00 -3.05 0.00 0.00 64.05 60.66 2a55 n THR 27 Cb 0.00 -1.14 -0.11 0.00 -1.55 0.00 0.00 70.33 67.53 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 -2.09 -0.30 0.00 1.09 2.01 -1.26 -3.50 115.64 111.59 2a55 s THR 28 Ca 0.72 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2a55 s THR 28 Cb -0.30 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2a55 s THR 28 CO 0.52 0.07 0.00 0.18 -0.69 0.00 0.00 174.62 174.70 2a55 n LEU 29 N 4.84 0.00 0.00 4.42 4.77 -1.06 -4.92 117.00 125.04 2a55 n LEU 29 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2a55 n LEU 29 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2a55 n LEU 29 CO 0.05 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.28 2a55 n LYS 30 N 0.00 0.00 -1.34 3.23 4.81 -1.26 -4.34 118.16 119.27 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a55 n TYR 31 N -0.92 -3.69 -4.49 5.64 4.02 -1.25 -3.73 117.16 112.73 2a55 n TYR 31 Ca 0.00 1.97 -0.22 0.00 -0.01 0.00 0.00 57.90 59.64 2a55 n TYR 31 Cb 0.00 -3.12 -0.16 0.00 -0.02 0.00 0.00 39.34 36.04 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 -3.16 0.93 0.08 -0.72 -1.32 0.30 -4.76 115.64 106.99 2a55 s THR 32 Ca 0.00 -0.44 -0.31 0.00 -1.21 0.00 0.00 61.69 59.73 2a55 s THR 32 Cb 0.00 -0.83 -0.08 0.00 -1.51 0.00 0.00 72.50 70.09 2a55 s THR 32 CO 0.00 0.29 1.45 0.00 -2.21 0.00 0.00 174.62 174.14 2a55 n LEU 34 N 4.54 -2.53 -4.57 0.00 4.77 -1.26 -4.75 117.00 113.21 2a55 n LEU 34 Ca 0.13 0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.90 2a55 n LEU 34 Cb 0.42 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 2a55 n LEU 34 CO 0.59 -4.16 1.84 -2.16 -1.33 0.00 0.00 177.39 172.17 2a55 s PRO 35 N -2.98 2.60 0.00 3.23 0.04 -1.26 -2.71 135.00 133.92 2a55 s PRO 35 Ca 0.50 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2a55 s PRO 35 Cb -0.16 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2a55 s PRO 35 CO 0.72 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 175.44 2a55 n GLY 36 N 5.81 0.36 3.79 0.56 0.00 -1.26 -5.10 105.19 109.35 2a55 n GLY 36 Ca 0.30 0.00 -0.39 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 3.74 0.00 1.61 2.02 -1.10 -1.29 117.35 122.33 2a55 s TYR 37 Ca 0.00 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.93 2a55 s TYR 37 Cb 0.00 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 2a55 s TYR 37 CO 0.00 0.47 0.00 1.33 -1.57 0.00 0.00 175.55 175.78 2a55 n VAL 38 N 2.24 0.00 0.00 0.71 0.24 0.00 -4.80 118.33 116.72 2a55 n VAL 38 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2a55 n VAL 38 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -2.89 7.34 1.74 -1.26 -0.39 116.66 121.19 2a55 n ARG 39 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2a55 n ARG 39 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 2a55 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2a55 n SER 40 N 0.00 -3.96 0.00 0.55 2.88 -1.26 -4.13 113.62 107.69 2a55 n SER 40 Ca 0.00 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2a55 n SER 40 Cb 0.00 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 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 -0.28 0.00 0.00 0.66 8.25 -1.26 -1.98 115.22 120.61 2a55 n HIS 41 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2a55 n HIS 41 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 6.82 0.00 -4.65 0.41 2.88 -1.26 -4.92 113.62 112.90 2a55 n SER 42 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2a55 n SER 42 Cb 0.00 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.64 2a55 n SER 42 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2a55 s THR 43 N 0.00 2.24 -0.32 2.46 2.01 -1.26 -4.96 115.64 115.81 2a55 s THR 43 Ca 0.00 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 2a55 s THR 43 Cb 0.00 -2.47 0.19 0.00 0.01 0.00 0.00 72.50 70.23 2a55 s THR 43 CO 0.00 -0.10 1.04 0.00 -0.69 0.00 0.00 174.62 174.86 2a55 s GLN 44 N -4.85 0.19 -0.08 4.92 -2.07 -1.26 -4.57 119.66 111.95 2a55 s GLN 44 Ca 0.65 -0.05 -0.18 0.00 -1.82 0.00 0.00 55.36 53.96 2a55 s GLN 44 Cb -0.20 0.03 0.04 0.00 -1.09 0.00 0.00 33.01 31.79 2a55 s GLN 44 CO 0.59 -0.28 0.42 0.95 -1.32 0.00 0.00 175.29 175.65 2a55 s THR 45 N 2.02 0.03 -0.28 3.63 -4.23 -1.24 -4.51 115.64 111.05 2a55 s THR 45 Ca 0.15 -0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2a55 s THR 45 Cb 0.03 -0.68 0.05 0.00 1.34 0.00 0.00 72.50 73.23 2a55 s THR 45 CO -0.15 -0.12 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.01 2a55 s LEU 46 N -0.72 3.69 -0.04 4.79 1.02 -1.26 -4.70 118.68 121.46 2a55 s LEU 46 Ca -0.08 -1.27 0.03 0.00 0.02 0.00 0.00 54.13 52.83 2a55 s LEU 46 Cb -0.04 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 2a55 s LEU 46 CO 0.04 -0.23 -0.13 -0.89 0.02 0.00 0.00 176.35 175.16 2a55 s THR 47 N 1.21 3.17 -0.21 5.49 2.01 -1.24 -2.58 115.64 123.49 2a55 s THR 47 Ca -0.06 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2a55 s THR 47 Cb -0.20 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 2a55 s THR 47 CO -0.03 0.56 1.16 0.00 -0.69 0.00 0.00 174.62 175.62 2a55 s ASN 49 N 1.70 5.02 -1.45 0.00 2.20 -1.20 -1.91 114.94 119.30 2a55 s ASN 49 Ca 0.50 -0.77 -0.09 0.00 -0.94 0.00 0.00 52.86 51.55 2a55 s ASN 49 Cb -0.18 0.22 0.04 0.00 -2.00 0.00 0.00 41.25 39.34 2a55 s ASN 49 CO 0.12 -1.39 2.46 -0.24 -2.94 0.00 0.00 177.10 175.11 2a55 n SER 50 N -2.31 6.97 0.00 3.54 2.88 -1.26 -3.18 113.62 120.26 2a55 n SER 50 Ca 0.15 -2.88 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2a55 n SER 50 Cb 0.61 -1.51 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 3.57 0.00 -1.44 -3.46 9.92 -1.26 -4.99 116.55 118.89 2a55 n ASP 51 Ca 0.62 -1.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.70 2a55 n ASP 51 Cb 0.29 0.00 -0.08 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 1.72 3.34 0.44 0.00 -1.19 -4.94 105.19 104.57 2a55 n GLY 52 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.52 1.35 -0.37 1.61 -1.05 -1.26 -3.17 118.70 112.29 2a55 s GLU 53 Ca 0.00 -1.68 -0.18 0.00 -0.15 0.00 0.00 54.97 52.96 2a55 s GLU 53 Cb 0.00 -0.74 0.00 0.00 -0.44 0.00 0.00 34.13 32.96 2a55 s GLU 53 CO 0.00 -0.05 0.51 -1.58 0.95 0.00 0.00 175.26 175.09 2a55 s TRP 54 N -3.32 3.16 -0.04 4.83 0.52 -1.26 -3.23 118.94 119.60 2a55 s TRP 54 Ca 0.27 0.04 -0.08 0.00 0.02 0.00 0.00 56.10 56.35 2a55 s TRP 54 Cb 0.05 -2.96 -0.05 0.00 -1.15 0.00 0.00 33.47 29.36 2a55 s TRP 54 CO 0.09 -0.60 0.25 0.08 0.02 0.00 0.00 176.95 176.78 2a55 s VAL 55 N 2.38 5.32 0.00 4.03 1.01 -1.20 -4.89 120.40 127.06 2a55 s VAL 55 Ca 0.18 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2a55 s VAL 55 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2a55 s VAL 55 CO 0.14 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.74 2a55 n TYR 56 N 1.57 0.00 -2.48 5.22 0.18 -1.26 -3.73 117.16 116.66 2a55 n TYR 56 Ca -0.15 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.76 2a55 n TYR 56 Cb 0.54 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.46 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 -7.40 -4.33 9.48 5.03 -1.26 -4.34 115.26 112.44 2a55 n ASN 57 Ca 0.00 1.00 -0.45 0.00 0.87 0.00 0.00 54.58 56.00 2a55 n ASN 57 Cb 0.00 -2.84 -0.01 0.00 -1.02 0.00 0.00 39.78 35.92 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2a55 s THR 58 N -1.46 5.90 0.50 3.41 2.01 -1.26 -5.04 115.64 119.70 2a55 s THR 58 Ca 0.00 -3.25 -0.21 0.00 0.31 0.00 0.00 61.69 58.53 2a55 s THR 58 Cb 0.00 -4.56 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 2a55 s THR 58 CO 0.00 -1.15 1.18 0.72 -0.69 0.00 0.00 174.62 174.67 2a55 s PHE 59 N -0.99 2.72 0.25 4.92 -0.12 -1.26 -4.80 117.98 118.69 2a55 s PHE 59 Ca 0.28 1.52 0.00 0.00 -0.05 0.00 0.00 56.93 58.68 2a55 s PHE 59 Cb -0.10 -3.40 0.00 0.00 -0.63 0.00 0.00 43.02 38.89 2a55 s PHE 59 CO -0.08 -1.72 0.00 0.00 -0.05 0.00 0.00 175.22 173.37 2a55 s ILE 61 N -4.06 1.46 -0.24 0.00 2.07 0.47 -4.83 121.20 116.07 2a55 s ILE 61 Ca 0.00 -1.50 -0.29 0.00 -1.41 0.00 0.00 60.65 57.45 2a55 s ILE 61 Cb 0.00 -1.93 -0.03 0.00 0.13 0.00 0.00 42.46 40.63 2a55 s ILE 61 CO 0.00 -0.40 1.79 -0.47 -1.91 0.00 0.00 174.94 173.96 2a55 s TYR 62 N 1.37 1.80 -0.30 3.50 6.14 -1.26 -0.82 117.35 127.78 2a55 s TYR 62 Ca 0.03 0.49 -0.10 0.00 0.64 0.00 0.00 57.07 58.13 2a55 s TYR 62 Cb -0.18 -4.05 0.14 0.00 0.42 0.00 0.00 41.96 38.29 2a55 s TYR 62 CO -0.12 -3.32 0.69 -1.59 0.64 0.00 0.00 175.55 171.85 2a55 s LYS 63 N 5.24 0.54 0.00 4.97 -2.85 -0.41 -4.95 119.74 122.28 2a55 s LYS 63 Ca 0.80 1.31 0.00 0.00 -1.00 0.00 0.00 55.97 57.08 2a55 s LYS 63 Cb -0.27 0.78 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2a55 s LYS 63 CO 0.33 -0.23 0.00 2.89 0.10 0.00 0.00 175.35 178.44 2a55 n ARG 64 N 5.39 3.94 -4.00 1.78 1.85 -1.26 -3.06 116.66 121.30 2a55 n ARG 64 Ca -0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.58 2a55 n ARG 64 Cb 0.50 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.75 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 0.74 3.92 0.20 0.00 6.06 -1.26 -4.78 118.95 123.82 2a55 s ARG 66 Ca -0.08 2.23 -0.31 0.00 -2.50 0.00 0.00 55.73 55.08 2a55 s ARG 66 Cb -0.11 -2.75 -0.16 0.00 0.06 0.00 0.00 34.95 31.99 2a55 s ARG 66 CO -0.01 -0.56 0.93 1.58 -2.50 0.00 0.00 175.30 174.74 2a55 n HIS 67 N 0.08 0.74 -0.32 5.12 -0.00 -1.26 -4.75 115.22 114.82 2a55 n HIS 67 Ca 0.04 0.80 -0.00 0.00 -0.00 0.00 0.00 57.72 58.56 2a55 n HIS 67 Cb 0.43 -2.17 0.17 0.00 -0.00 0.00 0.00 29.99 28.43 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 2.26 1.17 0.00 1.57 0.13 -2.01 -3.49 132.00 131.63 2a55 h PRO 68 Ca -0.39 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2a55 h PRO 68 Cb 1.38 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2a55 h PRO 68 CO 0.63 0.77 0.00 0.41 -0.23 0.00 0.00 178.00 179.59 2a55 n GLY 69 N -1.39 -0.91 3.72 1.56 0.00 -1.26 -4.57 105.19 102.33 2a55 n GLY 69 Ca 0.11 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.94 4.49 -0.55 1.61 2.12 -1.26 -4.89 118.70 119.28 2a55 s GLU 70 Ca 0.00 1.09 -0.14 0.00 0.36 0.00 0.00 54.97 56.28 2a55 s GLU 70 Cb 0.00 -3.45 0.13 0.00 0.26 0.00 0.00 34.13 31.08 2a55 s GLU 70 CO 0.00 0.03 0.49 -1.17 -0.54 0.00 0.00 175.26 174.07 2a55 s LEU 71 N 0.83 6.13 0.11 2.70 2.96 -1.26 -4.99 118.68 125.16 2a55 s LEU 71 Ca 0.43 -1.89 -0.31 0.00 -0.22 0.00 0.00 54.13 52.14 2a55 s LEU 71 Cb -0.19 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.23 2a55 s LEU 71 CO 0.22 -0.80 1.75 -0.60 -1.32 0.00 0.00 176.35 175.59 2a55 s ARG 72 N 1.43 4.16 -0.89 1.98 3.52 -1.26 -1.13 118.95 126.77 2a55 s ARG 72 Ca 0.05 2.49 -0.00 0.00 -0.13 0.00 0.00 55.73 58.14 2a55 s ARG 72 Cb -0.28 -3.53 -0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2a55 s ARG 72 CO 0.01 -0.78 0.74 0.09 -0.81 0.00 0.00 175.30 174.55 2a55 n ASN 73 N 5.41 -2.16 -3.50 -2.12 5.03 -1.26 -4.70 115.26 111.95 2a55 n ASN 73 Ca 0.17 -0.46 -0.03 0.00 0.87 0.00 0.00 54.58 55.13 2a55 n ASN 73 Cb 0.39 -3.94 0.01 0.00 -1.02 0.00 0.00 39.78 35.22 2a55 n ASN 73 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2a55 s GLY 74 N -3.98 -0.03 -0.03 7.41 0.00 -0.28 -2.18 107.32 108.23 2a55 s GLY 74 Ca 0.01 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.63 2a55 s GLY 74 CO 0.54 1.73 -0.07 1.20 0.00 0.00 0.00 173.10 176.49 2a55 s GLN 75 N -2.48 0.85 -0.37 2.90 -0.21 0.19 -4.74 119.66 115.79 2a55 s GLN 75 Ca 0.19 -0.23 -0.09 0.00 0.02 0.00 0.00 55.36 55.24 2a55 s GLN 75 Cb -0.02 -0.81 0.04 0.00 1.00 0.00 0.00 33.01 33.22 2a55 s GLN 75 CO 0.04 0.06 0.19 0.08 -2.12 0.00 0.00 175.29 173.53 2a55 s VAL 76 N 0.34 4.28 -0.61 1.09 1.01 -1.26 -1.31 120.40 123.93 2a55 s VAL 76 Ca -0.05 -1.03 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 2a55 s VAL 76 Cb -0.09 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2a55 s VAL 76 CO 0.00 -0.27 1.40 -0.70 0.00 0.00 0.00 175.10 175.53 2a55 s GLU 77 N 1.49 3.23 0.03 2.72 2.56 -1.04 -4.99 118.70 122.70 2a55 s GLU 77 Ca 0.01 0.27 0.08 0.00 0.00 0.00 0.00 54.97 55.33 2a55 s GLU 77 Cb -0.20 -4.15 -0.03 0.00 2.00 0.00 0.00 34.13 31.75 2a55 s GLU 77 CO 0.05 -2.04 -0.23 0.42 -0.56 0.00 0.00 175.26 172.90 2a55 s ILE 78 N 6.14 2.40 0.00 -3.70 -1.09 -1.26 -4.23 121.20 119.45 2a55 s ILE 78 Ca 0.48 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2a55 s ILE 78 Cb -0.10 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.83 2a55 s ILE 78 CO 0.22 0.40 0.31 2.29 -1.23 0.00 0.00 174.94 176.94 2a55 n LYS 79 N 1.83 0.00 -0.35 2.79 0.00 -1.26 -4.97 118.16 116.21 2a55 n LYS 79 Ca -0.17 -0.26 0.00 0.00 -0.00 0.00 0.00 58.31 57.88 2a55 n LYS 79 Cb 0.52 0.36 0.00 0.00 -0.00 0.00 0.00 35.03 35.91 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N 0.00 0.00 -0.91 0.58 -2.24 -1.26 -4.96 114.28 105.49 2a55 n THR 80 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2a55 n THR 80 Cb 0.35 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -5.12 -2.66 3.42 8.00 -1.26 -1.94 116.55 117.00 2a55 n ASP 81 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2a55 n ASP 81 Cb 0.59 -3.30 0.05 0.00 -0.02 0.00 0.00 41.12 38.44 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 -4.01 -4.77 0.64 4.77 -1.26 -4.84 117.00 107.53 2a55 n LEU 82 Ca 0.00 -0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.17 2a55 n LEU 82 Cb 0.43 -2.31 -0.07 0.00 -2.33 0.00 0.00 43.42 39.14 2a55 n LEU 82 CO 0.00 0.15 -0.08 -0.94 -1.33 0.00 0.00 177.39 175.18 2a55 s SER 83 N -3.54 6.39 0.12 -1.43 1.04 -0.82 -0.98 113.70 114.49 2a55 s SER 83 Ca 0.18 0.45 -0.16 0.00 0.48 0.00 0.00 55.95 56.90 2a55 s SER 83 Cb -0.02 -2.14 -0.10 0.00 0.10 0.00 0.00 66.02 63.86 2a55 s SER 83 CO 0.50 0.20 0.30 0.33 0.98 0.00 0.00 173.24 175.55 2a55 n PHE 84 N 3.11 -0.30 -1.93 5.02 7.35 -1.17 -3.51 117.46 126.02 2a55 n PHE 84 Ca -0.15 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 2a55 n PHE 84 Cb 0.53 -1.15 0.00 0.00 0.35 0.00 0.00 39.48 39.20 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 1.18 0.85 3.00 7.13 0.00 -1.26 -4.99 105.19 111.10 2a55 n GLY 85 Ca 0.11 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.76 0.36 -0.12 1.61 1.04 -1.23 -4.99 113.70 107.61 2a55 s SER 86 Ca 0.00 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.92 2a55 s SER 86 Cb 0.00 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 2a55 s SER 86 CO 0.00 -0.30 -0.19 -1.58 0.98 0.00 0.00 173.24 172.15 2a55 s GLN 87 N -1.59 3.18 -0.12 4.02 -0.44 -1.24 -3.52 119.66 119.95 2a55 s GLN 87 Ca -0.14 -0.80 0.01 0.00 -2.50 0.00 0.00 55.36 51.93 2a55 s GLN 87 Cb -0.09 -2.45 0.02 0.00 -1.64 0.00 0.00 33.01 28.85 2a55 s GLN 87 CO -0.01 0.17 -0.14 0.96 0.50 0.00 0.00 175.29 176.77 2a55 s ILE 88 N 0.39 1.47 0.89 -2.34 -4.36 -0.41 -4.87 121.20 111.98 2a55 s ILE 88 Ca -0.15 -0.60 -0.13 0.00 -0.26 0.00 0.00 60.65 59.51 2a55 s ILE 88 Cb -0.17 -1.36 0.16 0.00 1.25 0.00 0.00 42.46 42.34 2a55 s ILE 88 CO 0.07 0.44 1.24 -1.61 0.24 0.00 0.00 174.94 175.31 2a55 s GLU 89 N 1.19 1.08 -0.02 0.37 2.02 -1.26 -1.94 118.70 120.14 2a55 s GLU 89 Ca -0.02 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.53 2a55 s GLU 89 Cb -0.14 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2a55 s GLU 89 CO -0.05 -2.09 0.05 -0.06 0.02 0.00 0.00 175.26 173.13 2a55 s PHE 90 N -3.70 -0.03 -0.19 1.61 0.40 -1.25 -2.49 117.98 112.31 2a55 s PHE 90 Ca 0.70 0.09 -0.00 0.00 -0.60 0.00 0.00 56.93 57.12 2a55 s PHE 90 Cb -0.06 0.01 0.05 0.00 0.51 0.00 0.00 43.02 43.53 2a55 s PHE 90 CO 0.51 -0.04 -0.05 -1.12 0.70 0.00 0.00 175.22 175.22 2a55 s SER 91 N -0.09 3.15 -0.02 1.36 0.01 -0.43 -4.86 113.70 112.83 2a55 s SER 91 Ca -0.01 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.12 2a55 s SER 91 Cb -0.01 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 2a55 s SER 91 CO 0.00 -0.20 1.16 0.00 0.41 0.00 0.00 173.24 174.61 2a55 n SER 93 N 4.65 -2.68 0.00 0.00 3.41 -0.93 -4.56 113.62 113.52 2a55 n SER 93 Ca 0.10 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2a55 n SER 93 Cb 0.47 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 -0.54 0.00 0.00 4.33 4.07 -1.26 -0.63 120.64 126.60 2a55 n GLU 94 Ca 0.01 0.38 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 2a55 n GLU 94 Cb 0.54 -0.71 0.00 0.00 -0.06 0.00 0.00 31.44 31.22 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 -0.85 0.74 3.36 8.31 0.00 -1.26 -4.70 105.19 110.79 2a55 n GLY 95 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.13 -0.36 0.35 1.61 0.08 0.20 -3.66 117.98 116.33 2a55 s PHE 96 Ca 0.00 0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.47 2a55 s PHE 96 Cb 0.00 0.29 -0.07 0.00 -0.57 0.00 0.00 43.02 42.67 2a55 s PHE 96 CO 0.00 -0.62 0.01 -0.59 -0.10 0.00 0.00 175.22 173.92 2a55 s PHE 97 N -2.48 2.22 0.13 0.36 -0.71 -0.90 -4.15 117.98 112.45 2a55 s PHE 97 Ca -0.05 -0.77 -0.18 0.00 -1.04 0.00 0.00 56.93 54.89 2a55 s PHE 97 Cb -0.01 -1.46 -0.07 0.00 -1.21 0.00 0.00 43.02 40.27 2a55 s PHE 97 CO -0.02 0.27 0.61 -1.17 -1.34 0.00 0.00 175.22 173.57 2a55 s LEU 98 N -3.58 4.43 -0.32 -1.99 0.20 -1.26 -3.25 118.68 112.91 2a55 s LEU 98 Ca 0.35 1.26 0.06 0.00 0.69 0.00 0.00 54.13 56.48 2a55 s LEU 98 Cb 0.08 -3.18 0.18 0.00 -0.43 0.00 0.00 46.19 42.84 2a55 s LEU 98 CO 0.16 0.17 0.55 -0.63 -0.29 0.00 0.00 176.35 176.31 2a55 s ILE 99 N -1.31 -0.89 0.00 6.68 1.01 -0.90 -4.97 121.20 120.82 2a55 s ILE 99 Ca 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2a55 s ILE 99 Cb -0.18 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2a55 s ILE 99 CO 0.20 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2a55 n GLY 100 N 5.10 -1.01 0.00 6.18 0.00 -1.26 -0.91 105.19 113.29 2a55 n GLY 100 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.52 1.61 2.88 -1.26 -5.01 113.62 111.32 2a55 n SER 101 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a55 n SER 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 0.01 -3.83 2.46 -2.24 -1.26 -4.61 114.28 104.82 2a55 n THR 102 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2a55 n THR 102 Cb 0.00 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.95 0.09 -0.13 4.28 -4.23 -1.26 -4.07 115.64 109.36 2a55 s THR 103 Ca 0.00 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 2a55 s THR 103 Cb 0.00 -0.77 0.07 0.00 1.34 0.00 0.00 72.50 73.14 2a55 s THR 103 CO 0.00 -0.42 0.20 -0.55 -0.54 0.00 0.00 174.62 173.31 2a55 s SER 104 N -1.81 0.92 0.46 3.99 0.15 -0.82 -4.90 113.70 111.69 2a55 s SER 104 Ca -0.08 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.81 2a55 s SER 104 Cb -0.03 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 64.72 2a55 s SER 104 CO -0.01 -0.27 0.49 0.54 1.20 0.00 0.00 173.24 175.19 2a55 n ARG 105 N 5.33 0.75 -3.89 5.44 5.12 -1.26 -1.28 116.66 126.87 2a55 n ARG 105 Ca -0.05 -2.70 -0.27 0.00 -1.93 0.00 0.00 57.85 52.90 2a55 n ARG 105 Cb 0.50 0.06 -0.17 0.00 -1.16 0.00 0.00 32.46 31.69 2a55 n ARG 105 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a55 s GLU 107 N 1.68 2.17 -0.10 0.00 2.56 0.23 -4.07 118.70 121.18 2a55 s GLU 107 Ca 0.03 -1.77 0.02 0.00 0.00 0.00 0.00 54.97 53.25 2a55 s GLU 107 Cb -0.14 -1.97 0.01 0.00 2.00 0.00 0.00 34.13 34.03 2a55 s GLU 107 CO -0.08 0.03 -0.16 0.08 -0.56 0.00 0.00 175.26 174.58 2a55 s VAL 108 N -2.54 1.50 -0.41 3.70 1.01 -1.26 0.74 120.40 123.13 2a55 s VAL 108 Ca 0.37 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2a55 s VAL 108 Cb 0.01 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.15 2a55 s VAL 108 CO 0.21 0.44 0.13 -1.10 0.00 0.00 0.00 175.10 174.78 2a55 s GLN 109 N 0.81 1.68 3.61 2.72 -0.21 0.11 -4.94 119.66 123.43 2a55 s GLN 109 Ca -0.10 -2.16 0.00 0.00 0.02 0.00 0.00 55.36 53.12 2a55 s GLN 109 Cb -0.16 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.59 2a55 s GLN 109 CO 0.01 -1.01 0.00 -0.25 -2.12 0.00 0.00 175.29 171.93 2a55 n ASP 110 N 3.83 0.00 -2.00 5.90 8.00 -1.26 -0.29 116.55 130.73 2a55 n ASP 110 Ca 0.04 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.53 2a55 n ASP 110 Cb 0.38 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.83 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 4.19 -4.23 -1.24 1.85 -1.26 -4.95 116.66 111.02 2a55 n ARG 111 Ca 0.00 -3.13 -0.13 0.00 -1.00 0.00 0.00 57.85 53.59 2a55 n ARG 111 Cb 0.00 -2.25 -0.10 0.00 -1.05 0.00 0.00 32.46 29.06 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2a55 s GLY 112 N -0.93 1.27 -0.12 2.89 0.00 0.60 -5.17 107.32 105.88 2a55 s GLY 112 Ca 0.56 -1.62 -0.32 0.00 0.00 0.00 0.00 44.72 43.34 2a55 s GLY 112 CO 0.15 -1.49 1.07 0.54 0.00 0.00 0.00 173.10 173.36 2a55 s VAL 113 N -3.81 0.00 -1.59 1.40 0.11 -1.26 0.09 120.40 115.34 2a55 s VAL 113 Ca 0.28 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2a55 s VAL 113 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2a55 s VAL 113 CO 0.06 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2a55 n GLY 114 N -0.05 0.68 3.76 6.54 0.00 0.23 -4.47 105.19 111.88 2a55 n GLY 114 Ca -0.04 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 2a55 n GLY 114 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a55 s TRP 115 N -0.97 2.81 0.06 1.61 0.52 -1.18 -0.60 118.94 121.19 2a55 s TRP 115 Ca 0.00 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.16 2a55 s TRP 115 Cb 0.00 -3.95 -0.25 0.00 -1.15 0.00 0.00 33.47 28.12 2a55 s TRP 115 CO 0.00 -3.00 1.08 0.77 0.02 0.00 0.00 176.95 175.82 2a55 h SER 116 N 4.24 0.21 -0.75 2.95 0.02 -1.95 -3.46 113.55 114.81 2a55 h SER 116 Ca -0.48 -0.25 0.13 0.00 -0.84 0.00 0.00 61.79 60.35 2a55 h SER 116 Cb 1.23 -0.07 -0.21 0.00 0.14 0.00 0.00 62.40 63.49 2a55 h SER 116 CO 0.73 1.20 -0.16 -2.28 -1.14 0.00 0.00 176.83 175.19 2a55 s HIS 117 N -2.66 -1.26 0.00 3.45 5.65 -1.26 -5.17 115.29 114.04 2a55 s HIS 117 Ca -0.03 1.17 0.00 0.00 0.25 0.00 0.00 55.06 56.45 2a55 s HIS 117 Cb 0.08 0.38 0.00 0.00 -1.18 0.00 0.00 32.58 31.86 2a55 s HIS 117 CO 0.85 -0.70 0.00 -0.35 -0.65 0.00 0.00 174.74 173.88 2a55 n PRO 118 N 5.41 1.61 -0.91 2.88 -0.04 -1.26 -4.87 135.00 137.82 2a55 n PRO 118 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2a55 n PRO 118 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.30 0.00 1.53 4.77 -1.26 -4.96 117.00 115.79 2a55 n LEU 119 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2a55 n LEU 119 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2a55 n LEU 119 CO 0.00 -0.83 0.00 -0.81 -1.33 0.00 0.00 177.39 174.42 2a55 n PRO 120 N 1.49 0.14 -3.67 3.23 -0.04 -1.26 -5.03 135.00 129.86 2a55 n PRO 120 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2a55 n PRO 120 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 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 -1.72 3.44 -0.43 0.54 2.00 -0.09 -4.95 119.66 118.46 2a55 s GLN 121 Ca 0.00 -0.64 -0.14 0.00 -2.00 0.00 0.00 55.36 52.58 2a55 s GLN 121 Cb 0.00 -3.53 0.05 0.00 0.80 0.00 0.00 33.01 30.33 2a55 s GLN 121 CO 0.00 -0.35 0.31 0.00 -0.50 0.00 0.00 175.29 174.75 2a55 s GLU 123 N 1.61 1.73 0.33 0.00 2.12 -1.20 -4.89 118.70 118.40 2a55 s GLU 123 Ca 0.04 -0.96 -0.28 0.00 0.36 0.00 0.00 54.97 54.12 2a55 s GLU 123 Cb -0.21 -1.80 -0.10 0.00 0.26 0.00 0.00 34.13 32.28 2a55 s GLU 123 CO 0.07 0.48 1.26 -1.50 -0.54 0.00 0.00 175.26 175.03 2a55 s ILE 124 N -0.70 2.88 0.03 -3.70 2.07 -1.24 -2.12 121.20 118.42 2a55 s ILE 124 Ca 0.10 0.87 -0.31 0.00 -1.41 0.00 0.00 60.65 59.90 2a55 s ILE 124 Cb -0.09 -3.55 -0.17 0.00 0.13 0.00 0.00 42.46 38.78 2a55 s ILE 124 CO 0.01 0.19 1.31 -0.07 -1.91 0.00 0.00 174.94 174.47 2a55 h LEU 125 N 3.35 -0.87 -7.70 8.50 3.38 -1.93 -3.44 115.31 116.61 2a55 h LEU 125 Ca -0.49 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 56.99 2a55 h LEU 125 Cb 1.23 0.22 -0.37 0.00 0.09 0.00 0.00 40.66 41.83 2a55 h LEU 125 CO 0.65 -0.52 -0.80 -1.61 0.09 0.00 0.00 178.44 176.25 2a55 s GLU 126 N -5.22 1.36 0.06 1.13 0.41 -1.26 -5.14 118.70 110.05 2a55 s GLU 126 Ca -0.16 -0.21 0.08 0.00 -0.41 0.00 0.00 54.97 54.28 2a55 s GLU 126 Cb 0.02 -1.43 -0.03 0.00 -1.78 0.00 0.00 34.13 30.91 2a55 s GLU 126 CO 0.51 -0.23 -0.23 -1.58 -0.49 0.00 0.00 175.26 173.24 2a55 s HIS 127 N 1.59 2.01 0.00 1.61 5.65 -1.26 -5.09 115.29 119.80 2a55 s HIS 127 Ca 0.02 -0.39 0.00 0.00 0.25 0.00 0.00 55.06 54.94 2a55 s HIS 127 Cb -0.13 -1.18 0.00 0.00 -1.18 0.00 0.00 32.58 30.09 2a55 s HIS 127 CO -0.06 0.13 0.00 1.58 -0.65 0.00 0.00 174.74 175.75 2a55 n HIS 128 N 1.67 0.00 -3.64 3.88 -0.00 -1.26 -5.15 115.22 110.72 2a55 n HIS 128 Ca -0.17 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 57.98 2a55 n HIS 128 Cb 0.53 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.36 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2a55 s HIS 129 N 0.00 -0.05 -0.21 1.57 2.46 -1.24 -5.10 115.29 112.72 2a55 s HIS 129 Ca 0.00 0.08 -0.08 0.00 0.47 0.00 0.00 55.06 55.53 2a55 s HIS 129 Cb 0.00 0.49 0.03 0.00 -0.13 0.00 0.00 32.58 32.98 2a55 s HIS 129 CO 0.00 -0.05 0.16 1.58 -2.47 0.00 0.00 174.74 173.96 2a55 n HIS 130 N 0.44 -4.09 0.00 3.88 -0.00 -1.26 -4.09 115.22 110.10 2a55 n HIS 130 Ca 0.00 2.22 0.00 0.00 -0.00 0.00 0.00 57.72 59.94 2a55 n HIS 130 Cb 0.58 -3.78 0.00 0.00 -0.00 0.00 0.00 29.99 26.79 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 1.46 0.00 0.87 1.57 -0.00 -1.26 -5.27 115.22 112.58 2a55 n HIS 131 Ca -0.28 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.55 2a55 n HIS 131 Cb 0.44 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.52 2a55 n HIS 131 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95