#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 0.36 0.40 3.17 3.84 -1.26 -3.30 114.94 118.15 2a55 s ASN 1 Ca 0.00 -1.19 0.08 0.00 0.21 0.00 0.00 52.86 51.95 2a55 s ASN 1 Cb 0.00 0.28 -0.01 0.00 -0.55 0.00 0.00 41.25 40.97 2a55 s ASN 1 CO 0.00 -0.71 0.45 0.00 -2.79 0.00 0.00 177.10 174.05 2a55 s GLY 3 N -4.21 1.65 0.09 0.00 0.00 -1.24 -4.29 107.32 99.32 2a55 s GLY 3 Ca 0.50 -0.12 -0.36 0.00 0.00 0.00 0.00 44.72 44.74 2a55 s GLY 3 CO 0.30 0.22 1.15 -1.05 0.00 0.00 0.00 173.10 173.72 2a55 n PRO 4 N -3.07 0.72 -1.42 2.90 -0.02 -1.25 -4.72 135.00 128.14 2a55 n PRO 4 Ca 0.07 0.26 -0.50 0.00 -2.02 0.00 0.00 63.50 61.30 2a55 n PRO 4 Cb 0.55 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.17 2a55 n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 5 N 1.89 0.73 -0.07 0.52 -0.02 -1.26 -4.93 135.00 131.85 2a55 n PRO 5 Ca 0.18 0.17 -0.06 0.00 -2.02 0.00 0.00 63.50 61.77 2a55 n PRO 5 Cb 0.18 -2.23 0.06 0.00 -0.02 0.00 0.00 33.50 31.49 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 8.15 -2.41 -3.72 0.52 -0.04 -1.26 -5.01 135.00 131.23 2a55 n PRO 6 Ca 0.47 -0.31 -0.36 0.00 -0.04 0.00 0.00 63.50 63.26 2a55 n PRO 6 Cb 0.17 -0.39 -0.07 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.26 5.40 0.32 0.52 2.01 -1.26 -5.04 115.64 116.33 2a55 s THR 7 Ca 0.14 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.44 2a55 s THR 7 Cb -0.02 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2a55 s THR 7 CO 0.12 0.47 0.25 0.18 -0.69 0.00 0.00 174.62 174.95 2a55 n LEU 8 N 3.14 0.00 0.04 4.42 4.77 -1.26 -5.09 117.00 123.03 2a55 n LEU 8 Ca -0.16 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 2a55 n LEU 8 Cb 0.53 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2a55 n LEU 8 CO 0.36 -0.45 -0.14 -0.24 -1.33 0.00 0.00 177.39 175.59 2a55 n SER 9 N -1.94 0.63 0.09 -1.43 2.88 -1.26 -4.70 113.62 107.89 2a55 n SER 9 Ca -0.01 0.13 0.07 0.00 -1.33 0.00 0.00 58.87 57.74 2a55 n SER 9 Cb 0.36 -0.15 0.36 0.00 -0.75 0.00 0.00 64.21 64.03 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2a55 n PHE 10 N -3.32 0.44 -3.74 0.66 1.16 -1.26 -4.70 117.46 106.71 2a55 n PHE 10 Ca 0.00 0.21 -0.11 0.00 -1.87 0.00 0.00 57.45 55.68 2a55 n PHE 10 Cb 0.14 -0.84 -0.07 0.00 -1.61 0.00 0.00 39.48 37.10 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ALA 11 N -3.28 -0.69 0.05 1.98 0.00 -1.26 -4.06 121.76 114.51 2a55 s ALA 11 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2a55 s ALA 11 Cb 0.05 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 2a55 s ALA 11 CO 0.18 -0.49 -0.08 0.00 0.00 0.00 0.00 175.76 175.37 2a55 s ALA 12 N -3.11 0.62 0.42 0.00 0.00 -0.04 -4.16 121.76 115.49 2a55 s ALA 12 Ca -0.01 -0.84 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 2a55 s ALA 12 Cb 0.01 0.06 -0.13 0.00 0.00 0.00 0.00 23.12 23.06 2a55 s ALA 12 CO -0.07 -0.05 0.44 -2.30 0.00 0.00 0.00 175.76 173.78 2a55 n PRO 13 N 1.28 0.42 0.00 0.00 -0.02 -1.26 -0.66 135.00 134.77 2a55 n PRO 13 Ca -0.22 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2a55 n PRO 13 Cb 0.55 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2a55 n PRO 13 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2a55 n MET 14 N 0.74 2.50 0.00 -0.52 2.81 -1.26 -4.63 117.12 116.76 2a55 n MET 14 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2a55 n MET 14 Cb 0.40 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 32.06 2a55 n MET 14 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2a55 n ASP 15 N -1.40 0.00 -3.07 7.83 -0.08 -1.26 -5.01 116.55 113.56 2a55 n ASP 15 Ca 0.00 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.17 2a55 n ASP 15 Cb 0.25 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.72 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a55 n ILE 16 N -0.44 -2.32 -1.42 5.18 3.06 -1.26 -4.57 119.36 117.59 2a55 n ILE 16 Ca 0.00 0.35 -0.51 0.00 -2.50 0.00 0.00 62.75 60.08 2a55 n ILE 16 Cb 0.00 -2.89 -0.08 0.00 0.54 0.00 0.00 39.64 37.21 2a55 n ILE 16 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2a55 n THR 17 N 0.83 0.15 0.00 9.51 -2.24 -1.26 -4.91 114.28 116.35 2a55 n THR 17 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2a55 n THR 17 Cb 0.51 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 9.65 0.00 0.00 3.22 7.99 -1.26 -4.48 117.00 132.12 2a55 n LEU 18 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.44 2a55 n LEU 18 Cb 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2a55 n LEU 18 CO 0.78 0.00 0.00 0.35 -1.51 0.00 0.00 177.39 177.01 2a55 n THR 19 N 0.00 0.00 -3.21 -5.08 -2.24 -1.26 -4.93 114.28 97.56 2a55 n THR 19 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 19 Cb 0.00 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2a55 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a55 n GLU 20 N -0.57 2.86 0.00 -0.78 1.02 -1.26 -5.09 120.64 116.82 2a55 n GLU 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2a55 n GLU 20 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.70 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2a55 n THR 21 N -0.11 0.00 -4.45 2.62 -2.24 -1.26 -5.14 114.28 103.70 2a55 n THR 21 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2a55 n THR 21 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2a55 s ARG 22 N -1.00 1.63 -0.36 -0.78 0.52 -1.26 -3.83 118.95 113.86 2a55 s ARG 22 Ca 0.00 -1.75 0.02 0.00 -0.52 0.00 0.00 55.73 53.47 2a55 s ARG 22 Cb 0.00 -1.64 0.15 0.00 0.52 0.00 0.00 34.95 33.97 2a55 s ARG 22 CO 0.00 0.29 0.30 -0.06 0.02 0.00 0.00 175.30 175.85 2a55 s PHE 23 N -2.60 0.13 0.95 -0.53 0.40 -1.26 -5.07 117.98 109.99 2a55 s PHE 23 Ca 0.29 -1.14 -0.19 0.00 -0.60 0.00 0.00 56.93 55.29 2a55 s PHE 23 Cb -0.04 -0.62 -0.16 0.00 0.51 0.00 0.00 43.02 42.71 2a55 s PHE 23 CO 0.14 -0.91 -0.97 0.36 0.70 0.00 0.00 175.22 174.54 2a55 n LYS 24 N 4.21 0.00 -0.53 0.44 2.85 -1.26 -3.98 118.16 119.89 2a55 n LYS 24 Ca 0.11 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.07 2a55 n LYS 24 Cb 0.42 -0.95 0.24 0.00 -0.65 0.00 0.00 35.03 34.08 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 -2.64 0.00 0.00 0.58 -2.24 -1.21 -2.48 114.28 106.30 2a55 n THR 25 Ca -0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2a55 n THR 25 Cb 0.58 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 1.39 1.91 3.66 3.38 0.00 -0.89 -4.83 105.19 109.81 2a55 n GLY 26 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.33 0.87 -3.67 2.61 5.66 -1.03 -4.84 114.28 112.55 2a55 n THR 27 Ca 0.00 -0.10 -0.08 0.00 -3.05 0.00 0.00 64.05 60.82 2a55 n THR 27 Cb 0.00 -1.06 -0.09 0.00 -1.55 0.00 0.00 70.33 67.63 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 -2.40 -0.40 0.00 1.09 2.01 -1.26 -3.54 115.64 111.14 2a55 s THR 28 Ca 0.69 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.80 2a55 s THR 28 Cb -0.26 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2a55 s THR 28 CO 0.55 0.05 0.00 0.18 -0.69 0.00 0.00 174.62 174.71 2a55 n LEU 29 N 4.90 0.00 0.00 4.42 7.99 -1.05 -4.93 117.00 128.33 2a55 n LEU 29 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 2a55 n LEU 29 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2a55 n LEU 29 CO 0.02 0.00 0.00 1.17 -1.51 0.00 0.00 177.39 177.07 2a55 n LYS 30 N 0.00 0.00 -1.32 3.23 3.00 -1.26 -4.57 118.16 117.24 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 -1.72 -3.17 -4.13 5.64 4.01 -1.25 -4.12 117.16 112.42 2a55 n TYR 31 Ca 0.00 1.74 -0.30 0.00 -0.16 0.00 0.00 57.90 59.18 2a55 n TYR 31 Cb 0.00 -2.99 -0.08 0.00 -0.31 0.00 0.00 39.34 35.97 2a55 n TYR 31 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2a55 s THR 32 N -1.20 4.10 -0.24 -0.72 -1.32 0.17 -4.76 115.64 111.67 2a55 s THR 32 Ca 0.00 -0.93 -0.11 0.00 -1.21 0.00 0.00 61.69 59.44 2a55 s THR 32 Cb 0.00 -2.95 -0.05 0.00 -1.51 0.00 0.00 72.50 67.99 2a55 s THR 32 CO 0.00 0.14 0.18 0.00 -2.21 0.00 0.00 174.62 172.73 2a55 n LEU 34 N 4.35 -0.73 0.00 0.00 4.77 -1.26 -4.95 117.00 119.19 2a55 n LEU 34 Ca -0.14 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2a55 n LEU 34 Cb 0.52 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 2a55 n LEU 34 CO 0.35 -3.82 0.46 -2.65 -1.33 0.00 0.00 177.39 170.40 2a55 n PRO 35 N -1.37 0.00 0.00 3.23 -0.02 -1.26 -3.23 135.00 132.35 2a55 n PRO 35 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2a55 n PRO 35 Cb 0.54 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 36 N -0.93 0.00 3.75 -1.23 0.00 -1.26 -4.68 105.19 100.84 2a55 n GLY 36 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.42 3.37 0.20 1.61 2.02 -1.20 -3.70 117.35 118.23 2a55 s TYR 37 Ca 0.00 1.50 0.10 0.00 -0.37 0.00 0.00 57.07 58.30 2a55 s TYR 37 Cb 0.00 -3.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.06 2a55 s TYR 37 CO 0.00 -1.20 -0.20 0.08 -1.57 0.00 0.00 175.55 172.67 2a55 s VAL 38 N -0.70 2.10 0.00 0.71 1.01 -1.26 -4.76 120.40 117.49 2a55 s VAL 38 Ca 0.49 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.39 2a55 s VAL 38 Cb -0.35 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2a55 s VAL 38 CO 0.42 -0.30 0.00 0.54 0.00 0.00 0.00 175.10 175.76 2a55 n ARG 39 N 0.03 0.00 0.00 2.72 5.12 -1.26 -3.38 116.66 119.89 2a55 n ARG 39 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2a55 n ARG 39 Cb 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 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 0.65 0.00 -4.68 0.55 2.88 -1.26 -4.50 113.62 107.26 2a55 n SER 40 Ca 0.00 0.00 -0.54 0.00 -1.33 0.00 0.00 58.87 57.00 2a55 n SER 40 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2a55 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a55 n HIS 41 N 0.00 2.12 -0.89 0.66 1.44 0.63 -3.88 115.22 115.30 2a55 n HIS 41 Ca 0.00 0.31 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 2a55 n HIS 41 Cb 0.00 -2.54 0.00 0.00 0.12 0.00 0.00 29.99 27.57 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2a55 n SER 42 N 6.26 0.00 -0.72 4.39 7.64 -1.26 -5.02 113.62 124.91 2a55 n SER 42 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2a55 n SER 42 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2a55 n THR 43 N 0.00 0.00 0.00 0.44 -1.04 -1.26 -5.04 114.28 107.38 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 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n GLN 44 N 0.00 0.00 -3.68 -2.82 10.64 -1.26 -4.71 117.38 115.55 2a55 n GLN 44 Ca 0.00 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 55.03 2a55 n GLN 44 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2a55 s THR 45 N 0.00 0.01 -0.25 -0.39 -4.23 -1.26 -4.52 115.64 105.01 2a55 s THR 45 Ca 0.00 -0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2a55 s THR 45 Cb 0.00 -0.74 0.03 0.00 1.34 0.00 0.00 72.50 73.12 2a55 s THR 45 CO 0.00 -0.06 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.19 2a55 s LEU 46 N -0.41 3.16 0.01 4.79 1.02 -1.26 -4.81 118.68 121.18 2a55 s LEU 46 Ca -0.06 -0.89 0.07 0.00 0.02 0.00 0.00 54.13 53.27 2a55 s LEU 46 Cb -0.03 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 2a55 s LEU 46 CO 0.03 -0.13 -0.20 -0.89 0.02 0.00 0.00 176.35 175.19 2a55 s THR 47 N 1.31 2.60 -0.26 5.49 2.01 -1.25 -2.51 115.64 123.02 2a55 s THR 47 Ca -0.00 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 2a55 s THR 47 Cb -0.17 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.33 2a55 s THR 47 CO -0.05 0.45 1.06 0.00 -0.69 0.00 0.00 174.62 175.39 2a55 s ASN 49 N 1.38 4.74 -1.48 0.00 4.22 -1.17 -2.09 114.94 120.54 2a55 s ASN 49 Ca 0.45 -0.59 -0.09 0.00 -2.14 0.00 0.00 52.86 50.49 2a55 s ASN 49 Cb -0.14 0.11 0.01 0.00 1.28 0.00 0.00 41.25 42.52 2a55 s ASN 49 CO 0.10 -1.59 2.62 -0.24 -2.04 0.00 0.00 177.10 175.95 2a55 n SER 50 N -2.53 7.82 0.00 3.54 2.88 -1.26 -3.01 113.62 121.06 2a55 n SER 50 Ca 0.15 -2.84 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 62.58 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 3.17 0.00 -1.54 -3.46 9.92 -1.26 -4.99 116.55 118.39 2a55 n ASP 51 Ca 0.68 -1.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.75 2a55 n ASP 51 Cb 0.26 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.66 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 1.82 3.30 0.44 0.00 -1.16 -4.94 105.19 104.64 2a55 n GLY 52 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a55 s GLU 53 N -3.62 1.18 -0.45 1.61 -1.05 -1.26 -3.66 118.70 111.46 2a55 s GLU 53 Ca 0.00 -1.41 -0.22 0.00 -0.15 0.00 0.00 54.97 53.19 2a55 s GLU 53 Cb 0.00 -1.05 0.03 0.00 -0.44 0.00 0.00 34.13 32.66 2a55 s GLU 53 CO 0.00 0.19 0.74 -1.58 0.95 0.00 0.00 175.26 175.56 2a55 s TRP 54 N -2.48 3.01 0.07 4.83 0.52 -1.26 -3.03 118.94 120.60 2a55 s TRP 54 Ca 0.16 0.09 -0.06 0.00 0.02 0.00 0.00 56.10 56.30 2a55 s TRP 54 Cb -0.03 -3.56 -0.05 0.00 -1.15 0.00 0.00 33.47 28.67 2a55 s TRP 54 CO 0.05 -0.95 0.32 0.08 0.02 0.00 0.00 176.95 176.47 2a55 s VAL 55 N 3.14 5.22 0.00 4.03 1.01 -1.17 -4.95 120.40 127.69 2a55 s VAL 55 Ca 0.27 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2a55 s VAL 55 Cb -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2a55 s VAL 55 CO 0.21 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.54 2a55 n TYR 56 N 0.66 0.00 -2.84 5.22 0.18 -1.26 -3.87 117.16 115.26 2a55 n TYR 56 Ca -0.07 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.51 2a55 n TYR 56 Cb 0.52 0.00 0.05 0.00 -0.38 0.00 0.00 39.34 39.54 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2a55 s ASN 57 N 0.00 5.09 -0.28 9.48 0.01 -1.26 -5.08 114.94 122.90 2a55 s ASN 57 Ca 0.00 -0.45 -0.16 0.00 -0.71 0.00 0.00 52.86 51.54 2a55 s ASN 57 Cb 0.00 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.38 2a55 s ASN 57 CO 0.00 -1.28 0.40 -0.89 -1.51 0.00 0.00 177.10 173.82 2a55 s THR 58 N -2.72 5.14 -1.65 1.60 2.01 -1.26 -4.91 115.64 113.85 2a55 s THR 58 Ca 0.60 0.54 0.14 0.00 0.31 0.00 0.00 61.69 63.28 2a55 s THR 58 Cb -0.08 -3.75 0.14 0.00 0.01 0.00 0.00 72.50 68.82 2a55 s THR 58 CO 0.39 0.09 0.99 2.22 -0.69 0.00 0.00 174.62 177.61 2a55 n PHE 59 N 5.41 0.08 -3.69 4.92 -1.74 -1.25 -4.68 117.46 116.50 2a55 n PHE 59 Ca -0.08 -0.07 -0.14 0.00 -0.56 0.00 0.00 57.45 56.61 2a55 n PHE 59 Cb 0.50 -0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.41 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 2.27 0.00 -1.62 0.00 -5.35 -1.22 -4.82 119.36 108.62 2a55 n ILE 61 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2a55 n ILE 61 Cb 0.57 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.74 -2.83 -3.05 4.28 4.19 -1.25 -4.83 117.16 111.93 2a55 n TYR 62 Ca 0.00 1.69 0.02 0.00 3.31 0.00 0.00 57.90 62.92 2a55 n TYR 62 Cb 0.31 -3.03 -0.00 0.00 0.49 0.00 0.00 39.34 37.10 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 -1.38 0.53 0.00 2.98 -2.85 -1.24 -4.79 119.74 112.98 2a55 s LYS 63 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 2a55 s LYS 63 Cb 0.00 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2a55 s LYS 63 CO 0.00 -0.79 0.00 2.89 0.10 0.00 0.00 175.35 177.55 2a55 n ARG 64 N 4.29 2.28 -4.08 1.78 0.00 -1.26 -3.61 116.66 116.06 2a55 n ARG 64 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.80 2a55 n ARG 64 Cb 0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.94 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 s ARG 66 N -1.82 4.08 0.19 0.00 6.06 -1.26 -4.84 118.95 121.36 2a55 s ARG 66 Ca -0.07 2.16 -0.33 0.00 -2.50 0.00 0.00 55.73 54.99 2a55 s ARG 66 Cb -0.08 -2.84 -0.15 0.00 0.06 0.00 0.00 34.95 31.94 2a55 s ARG 66 CO -0.00 -0.40 1.30 0.72 -2.50 0.00 0.00 175.30 174.42 2a55 n HIS 67 N 0.31 1.73 0.23 5.12 8.25 -1.26 -4.85 115.22 124.75 2a55 n HIS 67 Ca 0.03 0.55 0.08 0.00 -0.26 0.00 0.00 57.72 58.11 2a55 n HIS 67 Cb 0.43 -2.37 0.61 0.00 1.12 0.00 0.00 29.99 29.78 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 3.97 0.06 0.00 -0.41 0.13 -1.99 -3.49 132.00 130.28 2a55 h PRO 68 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2a55 h PRO 68 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2a55 h PRO 68 CO 0.74 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 2a55 n GLY 69 N -1.53 -0.77 3.72 1.56 0.00 -1.26 -4.40 105.19 102.52 2a55 n GLY 69 Ca -0.02 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.65 4.59 -0.67 1.61 2.12 -1.26 -4.88 118.70 119.56 2a55 s GLU 70 Ca 0.00 1.33 -0.20 0.00 0.36 0.00 0.00 54.97 56.46 2a55 s GLU 70 Cb 0.00 -3.41 0.10 0.00 0.26 0.00 0.00 34.13 31.08 2a55 s GLU 70 CO 0.00 0.12 0.84 -1.17 -0.54 0.00 0.00 175.26 174.51 2a55 s LEU 71 N 0.42 5.13 0.04 2.70 0.20 -1.26 -5.01 118.68 120.90 2a55 s LEU 71 Ca 0.46 -1.46 -0.30 0.00 0.69 0.00 0.00 54.13 53.52 2a55 s LEU 71 Cb -0.22 -2.34 -0.08 0.00 -0.43 0.00 0.00 46.19 43.12 2a55 s LEU 71 CO 0.27 -1.17 1.67 -0.60 -0.29 0.00 0.00 176.35 176.23 2a55 s ARG 72 N 2.95 4.19 -1.07 1.98 3.52 -1.26 -0.84 118.95 128.41 2a55 s ARG 72 Ca 0.18 2.32 -0.03 0.00 -0.13 0.00 0.00 55.73 58.06 2a55 s ARG 72 Cb -0.19 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2a55 s ARG 72 CO 0.04 -0.77 0.91 0.09 -0.81 0.00 0.00 175.30 174.77 2a55 n ASN 73 N 6.07 -3.41 -3.58 -2.12 3.02 -1.26 -4.67 115.26 109.32 2a55 n ASN 73 Ca 0.16 -0.50 -0.01 0.00 -0.03 0.00 0.00 54.58 54.20 2a55 n ASN 73 Cb 0.41 -4.42 0.01 0.00 -0.61 0.00 0.00 39.78 35.17 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 -3.83 -0.05 -0.03 7.41 0.00 -0.02 -2.54 107.32 108.25 2a55 s GLY 74 Ca 0.19 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2a55 s GLY 74 CO 0.62 3.13 -0.06 1.20 0.00 0.00 0.00 173.10 177.99 2a55 s GLN 75 N -2.22 0.75 -0.34 2.90 -1.52 0.32 -4.55 119.66 115.00 2a55 s GLN 75 Ca 0.23 -0.18 -0.08 0.00 -1.95 0.00 0.00 55.36 53.38 2a55 s GLN 75 Cb -0.01 -0.73 0.03 0.00 -0.22 0.00 0.00 33.01 32.08 2a55 s GLN 75 CO 0.02 0.03 0.13 0.54 -0.25 0.00 0.00 175.29 175.76 2a55 s VAL 76 N 0.43 4.07 -0.49 1.09 0.11 -1.26 -0.50 120.40 123.85 2a55 s VAL 76 Ca -0.06 -0.98 -0.27 0.00 -2.93 0.00 0.00 61.98 57.74 2a55 s VAL 76 Cb -0.10 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 2a55 s VAL 76 CO 0.00 -0.16 1.81 -0.70 -3.33 0.00 0.00 175.10 172.72 2a55 s GLU 77 N 1.47 2.96 -0.22 1.54 2.56 -0.08 -4.94 118.70 121.98 2a55 s GLU 77 Ca 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 54.97 55.92 2a55 s GLU 77 Cb -0.19 -4.29 0.06 0.00 2.00 0.00 0.00 34.13 31.71 2a55 s GLU 77 CO 0.04 -2.32 0.00 0.42 -0.56 0.00 0.00 175.26 172.84 2a55 s ILE 78 N 8.02 0.97 0.00 -3.70 -1.09 -1.26 -4.38 121.20 119.77 2a55 s ILE 78 Ca 0.72 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2a55 s ILE 78 Cb -0.16 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 2a55 s ILE 78 CO 0.27 -0.20 0.00 2.29 -1.23 0.00 0.00 174.94 176.07 2a55 n LYS 79 N 4.87 0.00 0.00 2.79 -0.00 -1.26 -4.80 118.16 119.76 2a55 n LYS 79 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2a55 n LYS 79 Cb 0.45 -0.64 0.00 0.00 -0.00 0.00 0.00 35.03 34.85 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 -1.91 0.00 -0.93 0.58 -2.24 -1.26 -4.80 114.28 103.72 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 0.17 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -0.19 -4.76 -2.47 3.42 9.92 -1.26 -2.49 116.55 118.71 2a55 n ASP 81 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2a55 n ASP 81 Cb 0.13 -3.04 0.04 0.00 -0.64 0.00 0.00 41.12 37.62 2a55 n ASP 81 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2a55 n LEU 82 N 0.00 -3.79 -4.69 0.64 4.32 -1.26 -4.64 117.00 107.58 2a55 n LEU 82 Ca 0.00 -0.39 -0.40 0.00 -0.02 0.00 0.00 56.01 55.20 2a55 n LEU 82 Cb 0.38 -2.05 -0.05 0.00 -1.62 0.00 0.00 43.42 40.08 2a55 n LEU 82 CO 0.00 0.11 0.46 -0.94 -1.22 0.00 0.00 177.39 175.80 2a55 s SER 83 N -3.41 6.92 0.24 -1.43 1.04 -1.04 -1.53 113.70 114.48 2a55 s SER 83 Ca 0.18 1.11 -0.19 0.00 0.48 0.00 0.00 55.95 57.52 2a55 s SER 83 Cb -0.02 -2.41 -0.13 0.00 0.10 0.00 0.00 66.02 63.56 2a55 s SER 83 CO 0.42 -0.24 0.23 0.33 0.98 0.00 0.00 173.24 174.97 2a55 n PHE 84 N 4.49 -1.04 -1.78 5.02 7.35 -1.24 -3.00 117.46 127.25 2a55 n PHE 84 Ca 0.00 0.62 0.00 0.00 -0.76 0.00 0.00 57.45 57.32 2a55 n PHE 84 Cb 0.50 -1.47 0.00 0.00 0.35 0.00 0.00 39.48 38.87 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 1.71 0.70 3.12 7.13 0.00 -1.13 -4.88 105.19 111.84 2a55 n GLY 85 Ca 0.11 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.84 0.90 -0.07 1.61 1.04 -1.16 -4.98 113.70 108.19 2a55 s SER 86 Ca 0.00 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.58 2a55 s SER 86 Cb 0.00 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2a55 s SER 86 CO 0.00 -0.42 -0.15 -1.58 0.98 0.00 0.00 173.24 172.07 2a55 s GLN 87 N -3.22 2.75 -0.38 4.02 -0.44 -1.26 -2.47 119.66 118.66 2a55 s GLN 87 Ca 0.04 -0.71 0.02 0.00 -2.50 0.00 0.00 55.36 52.21 2a55 s GLN 87 Cb 0.02 -2.43 0.11 0.00 -1.64 0.00 0.00 33.01 29.07 2a55 s GLN 87 CO -0.04 0.49 0.15 0.96 0.50 0.00 0.00 175.29 177.34 2a55 s ILE 88 N -0.38 1.53 1.23 -2.34 -4.36 -0.16 -4.91 121.20 111.80 2a55 s ILE 88 Ca 0.04 -2.17 -0.17 0.00 -0.26 0.00 0.00 60.65 58.09 2a55 s ILE 88 Cb -0.12 -2.11 0.29 0.00 1.25 0.00 0.00 42.46 41.77 2a55 s ILE 88 CO 0.02 -0.74 1.03 -1.61 0.24 0.00 0.00 174.94 173.88 2a55 s GLU 89 N 0.87 -1.40 0.12 0.37 2.02 -1.26 -3.24 118.70 116.19 2a55 s GLU 89 Ca 0.13 0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.47 2a55 s GLU 89 Cb -0.21 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.47 2a55 s GLU 89 CO -0.11 -3.91 0.08 1.19 0.02 0.00 0.00 175.26 172.53 2a55 n PHE 90 N -4.97 -0.15 -3.15 1.61 3.72 -1.01 -0.90 117.46 112.61 2a55 n PHE 90 Ca 0.09 -0.90 0.04 0.00 -0.05 0.00 0.00 57.45 56.63 2a55 n PHE 90 Cb 0.58 0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 39.17 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a55 s SER 91 N -1.79 -1.21 -0.14 4.37 0.01 0.34 -4.86 113.70 110.41 2a55 s SER 91 Ca 0.11 0.77 -0.27 0.00 1.31 0.00 0.00 55.95 57.86 2a55 s SER 91 Cb 0.01 2.02 -0.01 0.00 0.21 0.00 0.00 66.02 68.24 2a55 s SER 91 CO 0.08 -0.23 0.91 0.00 0.41 0.00 0.00 173.24 174.41 2a55 n SER 93 N 5.15 -5.24 0.00 0.00 3.41 -1.05 -4.54 113.62 111.35 2a55 n SER 93 Ca 0.06 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2a55 n SER 93 Cb 0.49 -0.76 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 2.08 0.00 0.26 4.33 4.07 -1.26 -0.24 120.64 129.88 2a55 n GLU 94 Ca -0.01 0.26 0.14 0.00 -0.06 0.00 0.00 57.16 57.48 2a55 n GLU 94 Cb 0.59 -0.42 0.68 0.00 -0.06 0.00 0.00 31.44 32.23 2a55 n GLU 94 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2a55 h GLY 95 N 0.00 0.00 -6.48 8.31 0.00 -1.96 -3.42 103.07 99.52 2a55 h GLY 95 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 2a55 h GLY 95 CO 0.00 0.00 -0.63 -1.36 0.00 0.00 0.00 176.54 174.55 2a55 s PHE 96 N -3.89 3.09 0.50 5.60 0.40 0.66 0.58 117.98 124.92 2a55 s PHE 96 Ca -0.01 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 2a55 s PHE 96 Cb 0.11 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.58 2a55 s PHE 96 CO 0.57 -0.14 0.70 -0.59 0.70 0.00 0.00 175.22 176.47 2a55 s PHE 97 N 0.87 2.87 0.10 0.36 -0.71 0.20 -3.00 117.98 118.67 2a55 s PHE 97 Ca 0.02 -0.11 -0.17 0.00 -1.04 0.00 0.00 56.93 55.63 2a55 s PHE 97 Cb -0.14 -2.60 -0.07 0.00 -1.21 0.00 0.00 43.02 39.00 2a55 s PHE 97 CO 0.02 -0.70 0.55 -1.17 -1.34 0.00 0.00 175.22 172.58 2a55 s LEU 98 N -4.62 4.44 -0.28 -1.99 0.20 -1.26 -2.49 118.68 112.68 2a55 s LEU 98 Ca 0.56 1.16 -0.01 0.00 0.69 0.00 0.00 54.13 56.53 2a55 s LEU 98 Cb -0.10 -3.03 0.18 0.00 -0.43 0.00 0.00 46.19 42.80 2a55 s LEU 98 CO 0.37 0.20 0.53 -0.63 -0.29 0.00 0.00 176.35 176.54 2a55 s ILE 99 N -1.26 -0.88 0.00 6.68 1.01 -0.67 -4.98 121.20 121.09 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 -0.17 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.35 2a55 s ILE 99 CO 0.19 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2a55 n GLY 100 N 5.41 0.06 0.00 6.18 0.00 -1.26 -1.01 105.19 114.57 2a55 n GLY 100 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a55 n SER 101 N 0.00 0.00 0.03 1.61 3.41 -1.26 -5.01 113.62 112.39 2a55 n SER 101 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2a55 n SER 101 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2a55 n THR 102 N 0.00 1.76 -4.41 6.66 -2.24 -1.26 -4.54 114.28 110.25 2a55 n THR 102 Ca 0.00 0.51 -0.26 0.00 -2.27 0.00 0.00 64.05 62.03 2a55 n THR 102 Cb 0.00 -1.49 -0.11 0.00 -2.10 0.00 0.00 70.33 66.63 2a55 n THR 102 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a55 s THR 103 N -3.09 2.50 -0.16 4.28 -4.23 -1.26 -2.40 115.64 111.28 2a55 s THR 103 Ca 0.00 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 2a55 s THR 103 Cb 0.02 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.71 2a55 s THR 103 CO 0.06 -0.17 0.21 -0.44 -0.54 0.00 0.00 174.62 173.74 2a55 s SER 104 N -2.86 1.09 0.15 3.99 0.01 -1.20 -4.92 113.70 109.95 2a55 s SER 104 Ca 0.23 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.55 2a55 s SER 104 Cb -0.07 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 2a55 s SER 104 CO 0.12 -0.30 0.21 -0.13 0.41 0.00 0.00 173.24 173.55 2a55 s ARG 105 N 2.33 3.17 -0.29 12.44 0.52 -1.26 -0.99 118.95 134.87 2a55 s ARG 105 Ca 0.05 -0.72 -0.09 0.00 -0.52 0.00 0.00 55.73 54.44 2a55 s ARG 105 Cb -0.14 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 2a55 s ARG 105 CO -0.10 0.51 0.14 0.00 0.02 0.00 0.00 175.30 175.86 2a55 s GLU 107 N 1.63 2.21 -0.03 0.00 2.56 -0.53 -2.82 118.70 121.72 2a55 s GLU 107 Ca 0.05 -2.24 0.00 0.00 0.00 0.00 0.00 54.97 52.79 2a55 s GLU 107 Cb -0.16 -1.76 0.03 0.00 2.00 0.00 0.00 34.13 34.24 2a55 s GLU 107 CO 0.06 -0.43 -0.00 0.08 -0.56 0.00 0.00 175.26 174.40 2a55 s VAL 108 N -2.82 0.20 -0.57 3.70 1.01 -1.26 0.65 120.40 121.31 2a55 s VAL 108 Ca 0.18 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 2a55 s VAL 108 Cb 0.01 -0.29 0.14 0.00 0.00 0.00 0.00 36.38 36.24 2a55 s VAL 108 CO 0.11 0.15 0.49 -1.10 0.00 0.00 0.00 175.10 174.74 2a55 s GLN 109 N 0.98 2.90 1.85 2.72 -1.52 -0.91 -4.76 119.66 120.92 2a55 s GLN 109 Ca -0.10 -1.87 0.00 0.00 -1.95 0.00 0.00 55.36 51.43 2a55 s GLN 109 Cb -0.13 -4.18 0.00 0.00 -0.22 0.00 0.00 33.01 28.48 2a55 s GLN 109 CO -0.02 -1.28 0.00 -3.47 -0.25 0.00 0.00 175.29 170.28 2a55 n ASP 110 N 4.88 0.00 0.00 5.90 2.03 -1.26 -0.91 116.55 127.19 2a55 n ASP 110 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2a55 n ASP 110 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a55 n ARG 111 N 0.00 0.66 -3.72 -0.67 1.74 -1.26 -4.96 116.66 108.44 2a55 n ARG 111 Ca 0.00 -0.17 -0.37 0.00 -0.77 0.00 0.00 57.85 56.54 2a55 n ARG 111 Cb 0.00 -0.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2a55 s GLY 112 N -0.14 2.06 0.16 -0.13 0.00 -0.09 -5.06 107.32 104.12 2a55 s GLY 112 Ca 0.00 -2.63 -0.30 0.00 0.00 0.00 0.00 44.72 41.79 2a55 s GLY 112 CO 0.00 1.05 0.62 -0.62 0.00 0.00 0.00 173.10 174.16 2a55 n VAL 113 N 4.52 1.63 -5.12 1.40 0.31 -1.26 -2.14 118.33 117.67 2a55 n VAL 113 Ca -0.02 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 63.59 2a55 n VAL 113 Cb 0.41 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.19 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 -0.81 1.38 -0.57 2.92 0.00 0.21 -4.66 107.32 105.78 2a55 s GLY 114 Ca 0.69 -1.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.17 2a55 s GLY 114 CO 0.56 -0.88 0.59 -0.98 0.00 0.00 0.00 173.10 172.39 2a55 s TRP 115 N -0.67 3.17 0.14 1.90 0.23 -1.26 -1.46 118.94 120.98 2a55 s TRP 115 Ca 0.11 -1.19 -0.33 0.00 -2.03 0.00 0.00 56.10 52.66 2a55 s TRP 115 Cb -0.10 -3.89 -0.10 0.00 0.03 0.00 0.00 33.47 29.41 2a55 s TRP 115 CO -0.00 -1.13 1.55 0.66 0.96 0.00 0.00 176.95 178.99 2a55 h SER 116 N 8.97 -1.91 -3.29 2.95 4.64 -1.92 -3.42 113.55 119.58 2a55 h SER 116 Ca -0.28 0.26 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 2a55 h SER 116 Cb 1.09 0.79 -0.28 0.00 -0.31 0.00 0.00 62.40 63.69 2a55 h SER 116 CO 1.06 -0.38 -0.41 -1.00 -0.87 0.00 0.00 176.83 175.23 2a55 s HIS 117 N -5.63 -0.45 0.00 4.77 3.76 -1.26 -5.08 115.29 111.40 2a55 s HIS 117 Ca -0.14 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.77 2a55 s HIS 117 Cb 0.09 0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.92 2a55 s HIS 117 CO 0.62 -0.28 0.00 -0.35 -0.85 0.00 0.00 174.74 173.87 2a55 n PRO 118 N 4.26 3.40 -1.61 8.40 -0.04 -1.26 -4.57 135.00 143.57 2a55 n PRO 118 Ca -0.24 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.76 2a55 n PRO 118 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 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 2.16 0.00 1.53 4.77 -1.26 -4.93 117.00 119.27 2a55 n LEU 119 Ca 0.00 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2a55 n LEU 119 Cb 0.00 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.77 2a55 n LEU 119 CO 0.00 -1.11 0.00 -0.81 -1.33 0.00 0.00 177.39 174.14 2a55 n PRO 120 N 1.17 0.50 -3.81 3.23 -0.04 -1.26 -5.00 135.00 129.79 2a55 n PRO 120 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.20 2a55 n PRO 120 Cb 0.31 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.64 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2a55 s GLN 121 N -2.14 3.26 -0.39 0.54 -0.21 -0.18 -4.98 119.66 115.56 2a55 s GLN 121 Ca 0.00 -0.73 -0.15 0.00 0.02 0.00 0.00 55.36 54.50 2a55 s GLN 121 Cb 0.00 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.77 2a55 s GLN 121 CO 0.00 -0.33 0.29 0.00 -2.12 0.00 0.00 175.29 173.13 2a55 s GLU 123 N 1.72 1.91 0.82 0.00 0.41 -1.04 -4.88 118.70 117.64 2a55 s GLU 123 Ca 0.06 -1.05 -0.13 0.00 -0.41 0.00 0.00 54.97 53.43 2a55 s GLU 123 Cb -0.18 -2.04 0.08 0.00 -1.78 0.00 0.00 34.13 30.20 2a55 s GLU 123 CO 0.10 0.53 1.11 1.51 -0.49 0.00 0.00 175.26 178.02 2a55 n ILE 124 N 1.80 1.71 0.00 -1.63 0.13 -1.26 -0.63 119.36 119.48 2a55 n ILE 124 Ca -0.17 -0.20 0.00 0.00 -1.10 0.00 0.00 62.75 61.29 2a55 n ILE 124 Cb 0.52 -1.12 0.00 0.00 -0.84 0.00 0.00 39.64 38.20 2a55 n ILE 124 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2a55 n LEU 125 N -3.07 0.00 0.05 9.51 4.77 0.20 -4.73 117.00 123.73 2a55 n LEU 125 Ca 0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 2a55 n LEU 125 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 2a55 n LEU 125 CO 0.49 -0.05 -0.40 -0.08 -1.33 0.00 0.00 177.39 176.02 2a55 h GLU 126 N 0.00 0.34 -5.20 3.23 4.57 -1.96 -3.45 114.58 112.11 2a55 h GLU 126 Ca 0.00 -0.58 -0.62 0.00 -1.18 0.00 0.00 59.36 56.98 2a55 h GLU 126 Cb 0.00 0.22 -0.16 0.00 -0.16 0.00 0.00 28.75 28.65 2a55 h GLU 126 CO 0.00 1.28 -0.55 -1.01 -1.18 0.00 0.00 179.01 177.55 2a55 s HIS 127 N -2.52 3.26 -0.30 0.92 3.76 -1.26 -5.05 115.29 114.10 2a55 s HIS 127 Ca -0.17 0.08 -0.19 0.00 -0.15 0.00 0.00 55.06 54.64 2a55 s HIS 127 Cb 0.04 -2.15 0.20 0.00 1.11 0.00 0.00 32.58 31.78 2a55 s HIS 127 CO 0.83 0.09 1.27 -1.58 -0.85 0.00 0.00 174.74 174.50 2a55 s HIS 128 N 0.66 -0.12 0.00 1.40 5.04 -1.26 -5.03 115.29 115.98 2a55 s HIS 128 Ca 0.05 0.20 0.00 0.00 -1.54 0.00 0.00 55.06 53.77 2a55 s HIS 128 Cb -0.13 0.07 0.00 0.00 0.04 0.00 0.00 32.58 32.56 2a55 s HIS 128 CO 0.01 -0.06 0.00 0.72 -2.34 0.00 0.00 174.74 173.08 2a55 n HIS 129 N 4.45 0.00 0.04 3.88 8.25 -1.26 -5.12 115.22 125.46 2a55 n HIS 129 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2a55 n HIS 129 Cb 0.55 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2a55 n HIS 129 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2a55 n HIS 130 N -1.14 -2.55 -0.08 4.41 -0.00 -1.26 -5.00 115.22 109.60 2a55 n HIS 130 Ca 0.00 0.29 -0.16 0.00 0.46 0.00 0.00 57.72 58.32 2a55 n HIS 130 Cb 0.00 1.07 -0.11 0.00 -0.12 0.00 0.00 29.99 30.83 2a55 n HIS 130 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2a55 h HIS 131 N 0.00 0.00 0.00 1.57 -0.00 -2.06 -3.56 115.15 111.09 2a55 h HIS 131 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2a55 h HIS 131 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2a55 h HIS 131 CO 0.00 1.09 0.00 1.58 -0.00 0.00 0.00 177.93 180.60