#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 -6.08 -4.92 7.83 4.13 -1.26 -5.01 115.26 109.96 2a55 n ASN 1 Ca 0.00 1.23 -0.21 0.00 1.68 0.00 0.00 54.58 57.28 2a55 n ASN 1 Cb 0.00 -3.67 -0.01 0.00 -1.54 0.00 0.00 39.78 34.56 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 s GLY 3 N -4.25 1.61 -0.04 0.00 0.00 -1.26 -4.21 107.32 99.16 2a55 s GLY 3 Ca 0.48 -0.64 -0.38 0.00 0.00 0.00 0.00 44.72 44.18 2a55 s GLY 3 CO 0.29 -0.18 1.42 -1.05 0.00 0.00 0.00 173.10 173.58 2a55 n PRO 4 N -3.23 0.96 -1.44 2.90 -0.02 -1.22 -4.72 135.00 128.23 2a55 n PRO 4 Ca 0.08 0.35 -0.47 0.00 -2.02 0.00 0.00 63.50 61.43 2a55 n PRO 4 Cb 0.60 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 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 3.16 0.49 0.00 0.52 -0.02 -1.26 -4.93 135.00 132.97 2a55 n PRO 5 Ca 0.21 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2a55 n PRO 5 Cb 0.15 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 8.28 -0.96 -3.92 0.52 -0.04 -1.26 -5.01 135.00 132.60 2a55 n PRO 6 Ca 0.52 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.62 2a55 n PRO 6 Cb 0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.54 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 -0.70 5.18 0.55 0.52 2.01 -1.26 -5.07 115.64 116.87 2a55 s THR 7 Ca 0.00 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.14 2a55 s THR 7 Cb 0.00 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.27 2a55 s THR 7 CO 0.00 0.53 0.77 -0.76 -0.69 0.00 0.00 174.62 174.47 2a55 s LEU 8 N -0.28 3.29 -0.00 4.42 2.01 -1.26 -5.06 118.68 121.79 2a55 s LEU 8 Ca 0.10 -0.33 -0.00 0.00 0.01 0.00 0.00 54.13 53.91 2a55 s LEU 8 Cb -0.12 -2.43 -0.00 0.00 0.01 0.00 0.00 46.19 43.65 2a55 s LEU 8 CO 0.01 -1.22 -0.01 -1.54 1.01 0.00 0.00 176.35 174.61 2a55 n SER 9 N -2.29 0.06 0.00 2.29 3.41 -1.26 -4.66 113.62 111.17 2a55 n SER 9 Ca 0.11 0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 2a55 n SER 9 Cb 0.60 -0.02 0.66 0.00 -0.26 0.00 0.00 64.21 65.19 2a55 n SER 9 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2a55 n PHE 10 N -3.04 0.00 -3.18 7.33 3.01 -1.26 -4.82 117.46 115.50 2a55 n PHE 10 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2a55 n PHE 10 Cb 0.50 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2a55 n ALA 11 N -1.05 0.00 -3.63 4.37 0.00 -1.26 -4.55 120.51 114.39 2a55 n ALA 11 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 2a55 n ALA 11 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 2a55 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a55 s ALA 12 N -1.75 -1.90 0.23 0.00 0.00 0.60 -4.72 121.76 114.21 2a55 s ALA 12 Ca 0.00 1.90 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 2a55 s ALA 12 Cb 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 23.12 21.68 2a55 s ALA 12 CO 0.00 -0.28 0.84 -2.30 0.00 0.00 0.00 175.76 174.02 2a55 n PRO 13 N 2.27 0.74 0.00 0.00 -0.02 -1.26 -0.06 135.00 136.67 2a55 n PRO 13 Ca -0.13 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2a55 n PRO 13 Cb 0.56 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.00 3.33 0.00 -0.52 1.56 -1.26 -4.58 117.12 116.65 2a55 n MET 14 Ca 0.14 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.57 2a55 n MET 14 Cb 0.27 -0.37 0.00 0.00 2.15 0.00 0.00 33.22 35.27 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 -0.55 0.00 -2.93 6.12 2.03 -1.26 -4.91 116.55 115.05 2a55 n ASP 15 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 2a55 n ASP 15 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a55 n ILE 16 N 0.00 -2.42 -1.68 5.18 3.06 -1.26 -4.65 119.36 117.59 2a55 n ILE 16 Ca 0.00 0.25 -0.53 0.00 -2.50 0.00 0.00 62.75 59.97 2a55 n ILE 16 Cb 0.00 -2.72 -0.06 0.00 0.54 0.00 0.00 39.64 37.40 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 0.53 0.43 0.16 9.51 -2.24 -1.26 -4.77 114.28 116.64 2a55 n THR 17 Ca -0.04 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2a55 n THR 17 Cb 0.50 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 6.34 3.93 -0.78 3.22 7.99 -1.26 -3.87 117.00 132.56 2a55 n LEU 18 Ca 0.26 -1.83 0.07 0.00 -0.01 0.00 0.00 56.01 54.50 2a55 n LEU 18 Cb 0.21 -0.78 0.21 0.00 -0.11 0.00 0.00 43.42 42.95 2a55 n LEU 18 CO 0.77 0.71 0.67 0.35 -1.51 0.00 0.00 177.39 178.39 2a55 n THR 19 N 1.09 0.54 -4.08 -5.08 -2.24 -1.26 -4.90 114.28 98.36 2a55 n THR 19 Ca 0.00 -0.56 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 2a55 n THR 19 Cb 0.46 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.74 1.16 0.00 -0.78 1.02 -1.25 -5.08 120.64 116.45 2a55 n GLU 20 Ca 0.15 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 2a55 n GLU 20 Cb 0.36 0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 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 -0.14 0.00 -4.45 2.62 -2.24 -1.26 -5.09 114.28 103.73 2a55 n THR 21 Ca -0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 2a55 n THR 21 Cb 0.08 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.04 1.62 -0.21 -0.78 0.52 -1.26 -3.41 118.95 114.39 2a55 s ARG 22 Ca 0.00 -1.74 -0.04 0.00 -0.52 0.00 0.00 55.73 53.43 2a55 s ARG 22 Cb 0.00 -1.65 0.10 0.00 0.52 0.00 0.00 34.95 33.92 2a55 s ARG 22 CO 0.00 0.30 0.26 -0.06 0.02 0.00 0.00 175.30 175.82 2a55 s PHE 23 N -2.60 -0.41 1.00 -0.53 0.40 -1.26 -5.01 117.98 109.58 2a55 s PHE 23 Ca 0.29 0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 56.85 2a55 s PHE 23 Cb -0.04 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 2a55 s PHE 23 CO 0.14 -0.61 -0.27 0.36 0.70 0.00 0.00 175.22 175.53 2a55 n LYS 24 N 5.33 -0.35 0.00 0.44 -0.00 -1.26 -3.33 118.16 118.99 2a55 n LYS 24 Ca -0.05 -0.08 0.03 0.00 -0.00 0.00 0.00 58.31 58.21 2a55 n LYS 24 Cb 0.50 -1.46 0.19 0.00 -0.00 0.00 0.00 35.03 34.26 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 25 N -3.34 0.39 0.67 0.58 -2.24 -1.26 -1.11 114.28 107.98 2a55 n THR 25 Ca 0.02 0.10 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 2a55 n THR 25 Cb 0.58 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.71 2a55 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a55 n GLY 26 N -0.63 -0.70 3.55 3.38 0.00 -1.26 -4.14 105.19 105.40 2a55 n GLY 26 Ca 0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2a55 n GLY 26 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a55 s THR 27 N -2.78 2.08 -0.29 2.61 -1.32 -0.26 -4.96 115.64 110.72 2a55 s THR 27 Ca 0.04 0.03 -0.12 0.00 -1.21 0.00 0.00 61.69 60.43 2a55 s THR 27 Cb 0.13 -2.12 0.11 0.00 -1.51 0.00 0.00 72.50 69.11 2a55 s THR 27 CO 0.73 -0.03 0.66 -0.89 -2.21 0.00 0.00 174.62 172.88 2a55 s THR 28 N -2.55 -0.65 0.55 5.08 2.01 -1.25 -4.13 115.64 114.70 2a55 s THR 28 Ca 0.68 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 2a55 s THR 28 Cb -0.24 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2a55 s THR 28 CO 0.62 0.00 0.83 -0.76 -0.69 0.00 0.00 174.62 174.62 2a55 s LEU 29 N 2.46 3.33 0.00 4.42 1.43 -0.62 -4.84 118.68 124.85 2a55 s LEU 29 Ca -0.07 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2a55 s LEU 29 Cb -0.10 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.80 2a55 s LEU 29 CO -0.19 -1.01 0.00 0.29 0.23 0.00 0.00 176.35 175.67 2a55 n LYS 30 N -2.44 0.00 -1.33 1.70 4.76 -1.26 -3.60 118.16 115.99 2a55 n LYS 30 Ca 0.04 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2a55 n LYS 30 Cb 0.58 -0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2a55 n TYR 31 N -1.09 -3.43 -3.83 2.13 4.02 -1.26 -4.07 117.16 109.63 2a55 n TYR 31 Ca 0.00 1.79 -0.24 0.00 -0.01 0.00 0.00 57.90 59.44 2a55 n TYR 31 Cb 0.00 -3.06 -0.03 0.00 -0.02 0.00 0.00 39.34 36.23 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 -1.75 2.11 -0.13 -0.72 -1.32 0.92 -4.83 115.64 109.93 2a55 s THR 32 Ca 0.00 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 59.03 2a55 s THR 32 Cb 0.00 -2.60 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 2a55 s THR 32 CO 0.00 0.00 -0.22 0.00 -2.21 0.00 0.00 174.62 172.19 2a55 n LEU 34 N 3.89 -2.35 -0.38 0.00 4.77 -1.26 -4.71 117.00 116.95 2a55 n LEU 34 Ca -0.20 0.38 0.38 0.00 -0.03 0.00 0.00 56.01 56.54 2a55 n LEU 34 Cb 0.52 -1.02 0.76 0.00 -2.33 0.00 0.00 43.42 41.36 2a55 n LEU 34 CO 0.27 -4.47 1.35 1.55 -1.33 0.00 0.00 177.39 174.77 2a55 h PRO 35 N -0.91 0.00 -0.00 3.23 0.13 -2.01 0.21 132.00 132.65 2a55 h PRO 35 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a55 h PRO 35 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2a55 h PRO 35 CO 0.33 0.00 -0.02 0.41 -0.23 0.00 0.00 178.00 178.50 2a55 n GLY 36 N -1.80 -0.76 3.80 1.56 0.00 -1.26 -4.83 105.19 101.90 2a55 n GLY 36 Ca 0.28 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.10 3.75 0.00 1.61 1.51 0.06 -2.98 117.35 119.20 2a55 s TYR 37 Ca 0.42 1.21 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 2a55 s TYR 37 Cb 0.21 -2.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.56 2a55 s TYR 37 CO 0.38 0.51 0.00 1.33 -1.11 0.00 0.00 175.55 176.67 2a55 n VAL 38 N 2.09 0.00 -1.19 0.71 0.24 -1.26 -4.88 118.33 114.03 2a55 n VAL 38 Ca -0.10 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.81 2a55 n VAL 38 Cb 0.51 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.87 2a55 n VAL 38 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2a55 n ARG 39 N 0.00 0.00 0.00 7.34 1.74 -1.26 -4.16 116.66 120.32 2a55 n ARG 39 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2a55 n ARG 39 Cb 0.00 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 1.98 0.00 -1.77 0.55 2.88 -1.26 -3.44 113.62 112.55 2a55 n SER 40 Ca 0.12 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.46 2a55 n SER 40 Cb 0.31 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2a55 n HIS 41 N 0.00 -0.26 1.29 0.66 8.25 -1.26 -4.82 115.22 119.07 2a55 n HIS 41 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2a55 n HIS 41 Cb 0.00 -3.55 0.71 0.00 1.12 0.00 0.00 29.99 28.27 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2a55 n SER 42 N -1.46 0.00 -1.38 0.41 7.64 -1.26 -5.02 113.62 112.55 2a55 n SER 42 Ca -0.21 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2a55 n SER 42 Cb 0.68 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.35 -3.87 -4.01 0.44 -1.04 -1.26 -4.30 114.28 98.88 2a55 n THR 43 Ca 0.12 1.77 -0.31 0.00 -2.04 0.00 0.00 64.05 63.58 2a55 n THR 43 Cb 0.27 -2.58 -0.15 0.00 -1.82 0.00 0.00 70.33 66.05 2a55 n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 s GLN 44 N -4.51 1.69 -0.24 -2.82 0.00 -1.26 -3.57 119.66 108.95 2a55 s GLN 44 Ca 0.00 -1.57 -0.20 0.00 -0.00 0.00 0.00 55.36 53.59 2a55 s GLN 44 Cb 0.00 -2.97 0.06 0.00 0.00 0.00 0.00 33.01 30.10 2a55 s GLN 44 CO 0.00 -0.79 0.62 0.95 0.00 0.00 0.00 175.29 176.07 2a55 s THR 45 N 1.06 -0.00 -0.34 3.63 -4.23 -1.26 -4.55 115.64 109.95 2a55 s THR 45 Ca 0.03 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.44 2a55 s THR 45 Cb -0.19 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.79 2a55 s THR 45 CO -0.08 0.00 0.18 -0.76 -0.54 0.00 0.00 174.62 173.42 2a55 s LEU 46 N 0.66 4.43 0.05 4.79 1.43 -1.24 -4.62 118.68 124.19 2a55 s LEU 46 Ca -0.03 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.36 2a55 s LEU 46 Cb -0.05 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 2a55 s LEU 46 CO -0.04 -0.30 -0.13 -0.89 0.23 0.00 0.00 176.35 175.22 2a55 s THR 47 N 1.58 3.15 -0.28 5.49 2.01 -1.15 -1.59 115.64 124.85 2a55 s THR 47 Ca 0.03 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 2a55 s THR 47 Cb -0.18 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2a55 s THR 47 CO 0.06 0.30 0.71 0.00 -0.69 0.00 0.00 174.62 175.01 2a55 s ASN 49 N 1.53 5.67 -1.34 0.00 4.22 -1.21 -4.25 114.94 119.57 2a55 s ASN 49 Ca 0.29 -0.38 -0.13 0.00 -2.14 0.00 0.00 52.86 50.51 2a55 s ASN 49 Cb -0.15 -0.87 -0.04 0.00 1.28 0.00 0.00 41.25 41.46 2a55 s ASN 49 CO 0.10 -0.60 2.41 -0.24 -2.04 0.00 0.00 177.10 176.73 2a55 n SER 50 N -1.70 5.42 0.00 3.54 2.88 -1.26 -2.87 113.62 119.62 2a55 n SER 50 Ca 0.04 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2a55 n SER 50 Cb 0.59 -1.47 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 5.22 0.00 -1.45 -3.46 9.92 -1.26 -5.00 116.55 120.52 2a55 n ASP 51 Ca 0.59 -0.94 -0.18 0.00 -0.53 0.00 0.00 54.79 53.74 2a55 n ASP 51 Cb 0.31 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.71 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 1.55 3.26 0.44 0.00 -1.14 -4.97 105.19 104.33 2a55 n GLY 52 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.67 1.09 -0.36 1.61 -1.05 -1.26 -4.46 118.70 110.60 2a55 s GLU 53 Ca 0.00 -1.47 -0.20 0.00 -0.15 0.00 0.00 54.97 53.15 2a55 s GLU 53 Cb 0.00 -0.68 0.00 0.00 -0.44 0.00 0.00 34.13 33.01 2a55 s GLU 53 CO 0.00 0.09 0.62 -1.58 0.95 0.00 0.00 175.26 175.34 2a55 s TRP 54 N -3.28 3.15 0.20 4.83 0.52 -1.26 -3.28 118.94 119.81 2a55 s TRP 54 Ca 0.17 0.29 0.01 0.00 0.02 0.00 0.00 56.10 56.59 2a55 s TRP 54 Cb 0.02 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 2a55 s TRP 54 CO 0.01 -0.64 0.37 0.14 0.02 0.00 0.00 176.95 176.85 2a55 s VAL 55 N 2.67 5.24 0.00 4.03 -7.23 -0.99 -4.94 120.40 119.19 2a55 s VAL 55 Ca 0.23 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 2a55 s VAL 55 Cb -0.15 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.04 2a55 s VAL 55 CO 0.15 -0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 2a55 n TYR 56 N -0.76 0.00 -2.71 2.82 4.11 -1.26 -2.95 117.16 116.40 2a55 n TYR 56 Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.62 2a55 n TYR 56 Cb 0.54 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.96 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 4.79 -1.43 9.48 -0.87 -1.26 -4.98 114.94 120.66 2a55 s ASN 57 Ca 0.00 -0.39 -0.11 0.00 -1.57 0.00 0.00 52.86 50.79 2a55 s ASN 57 Cb 0.00 -0.18 0.05 0.00 -0.02 0.00 0.00 41.25 41.11 2a55 s ASN 57 CO 0.00 -1.53 2.30 0.41 -2.57 0.00 0.00 177.10 175.71 2a55 n THR 58 N -2.54 4.02 -1.64 1.60 -1.04 -1.26 -4.94 114.28 108.48 2a55 n THR 58 Ca 0.13 -3.40 -0.54 0.00 -2.04 0.00 0.00 64.05 58.20 2a55 n THR 58 Cb 0.60 -2.50 -0.06 0.00 -1.82 0.00 0.00 70.33 66.56 2a55 n THR 58 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2a55 n PHE 59 N 4.61 1.77 -1.74 -1.42 1.16 -1.23 -4.39 117.46 116.22 2a55 n PHE 59 Ca 0.55 0.56 0.00 0.00 -1.87 0.00 0.00 57.45 56.69 2a55 n PHE 59 Cb 0.34 -2.40 0.00 0.00 -1.61 0.00 0.00 39.48 35.81 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 n ILE 61 N 0.35 1.47 -1.91 0.00 -5.35 -1.22 -4.96 119.36 107.73 2a55 n ILE 61 Ca 0.00 -0.77 -0.00 0.00 -0.27 0.00 0.00 62.75 61.71 2a55 n ILE 61 Cb 0.00 -0.90 -0.00 0.00 -1.74 0.00 0.00 39.64 37.00 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -2.97 -3.24 -3.65 4.28 4.19 -1.26 -4.96 117.16 109.55 2a55 n TYR 62 Ca -0.16 1.92 -0.03 0.00 3.31 0.00 0.00 57.90 62.94 2a55 n TYR 62 Cb 1.00 -3.24 -0.06 0.00 0.49 0.00 0.00 39.34 37.54 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 -1.08 0.52 0.40 2.98 -2.85 -1.16 -4.93 119.74 113.63 2a55 s LYS 63 Ca -0.00 1.33 0.04 0.00 -1.00 0.00 0.00 55.97 56.33 2a55 s LYS 63 Cb 0.00 0.68 -0.04 0.00 -2.06 0.00 0.00 37.83 36.41 2a55 s LYS 63 CO 0.01 -0.21 0.07 -0.98 0.10 0.00 0.00 175.35 174.34 2a55 s ARG 64 N 2.71 1.89 -0.10 1.78 1.70 -1.26 -3.77 118.95 121.89 2a55 s ARG 64 Ca -0.05 -2.13 0.01 0.00 -0.47 0.00 0.00 55.73 53.09 2a55 s ARG 64 Cb -0.11 -0.95 -0.02 0.00 -0.57 0.00 0.00 34.95 33.30 2a55 s ARG 64 CO -0.17 -0.32 -0.13 0.00 -1.08 0.00 0.00 175.30 173.59 2a55 n ARG 66 N 3.09 2.15 -1.61 0.00 3.00 -1.26 -4.72 116.66 117.31 2a55 n ARG 66 Ca -0.18 0.76 -0.48 0.00 -0.00 0.00 0.00 57.85 57.95 2a55 n ARG 66 Cb 0.53 -2.39 -0.04 0.00 0.00 0.00 0.00 32.46 30.55 2a55 n ARG 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2a55 n HIS 67 N 0.21 1.67 -0.22 -0.14 -0.00 -1.26 -4.84 115.22 110.63 2a55 n HIS 67 Ca 0.05 0.56 0.11 0.00 -0.00 0.00 0.00 57.72 58.44 2a55 n HIS 67 Cb 0.37 -2.36 0.40 0.00 -0.00 0.00 0.00 29.99 28.40 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 4.11 0.62 0.00 1.57 0.13 -1.96 -3.48 132.00 132.99 2a55 h PRO 68 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2a55 h PRO 68 Cb 1.31 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2a55 h PRO 68 CO 0.75 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 179.34 2a55 n GLY 69 N -1.46 -1.12 3.73 1.56 0.00 -1.26 -4.51 105.19 102.12 2a55 n GLY 69 Ca 0.15 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.07 4.60 -0.57 1.61 2.56 -1.26 -4.89 118.70 120.68 2a55 s GLU 70 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 54.97 56.14 2a55 s GLU 70 Cb 0.00 -3.40 0.14 0.00 2.00 0.00 0.00 34.13 32.86 2a55 s GLU 70 CO 0.00 0.14 0.53 -1.17 -0.56 0.00 0.00 175.26 174.19 2a55 s LEU 71 N 0.35 6.24 0.10 2.70 2.96 -1.26 -4.93 118.68 124.84 2a55 s LEU 71 Ca 0.46 -1.88 -0.31 0.00 -0.22 0.00 0.00 54.13 52.19 2a55 s LEU 71 Cb -0.22 -2.21 -0.09 0.00 0.50 0.00 0.00 46.19 44.17 2a55 s LEU 71 CO 0.27 -0.83 1.78 -0.60 -1.32 0.00 0.00 176.35 175.65 2a55 s ARG 72 N 1.47 4.16 -0.87 1.98 3.52 -1.26 -1.13 118.95 126.81 2a55 s ARG 72 Ca 0.04 2.51 -0.00 0.00 -0.13 0.00 0.00 55.73 58.15 2a55 s ARG 72 Cb -0.28 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 2a55 s ARG 72 CO 0.02 -0.82 0.72 0.09 -0.81 0.00 0.00 175.30 174.50 2a55 n ASN 73 N 5.84 -2.07 -3.56 -2.12 5.03 -1.26 -4.68 115.26 112.43 2a55 n ASN 73 Ca 0.17 -0.45 -0.00 0.00 0.87 0.00 0.00 54.58 55.17 2a55 n ASN 73 Cb 0.39 -3.84 0.02 0.00 -1.02 0.00 0.00 39.78 35.33 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 -3.97 0.03 -0.03 7.41 0.00 -0.28 -2.80 107.32 107.67 2a55 s GLY 74 Ca 0.01 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.55 2a55 s GLY 74 CO 0.53 4.12 -0.09 1.20 0.00 0.00 0.00 173.10 178.86 2a55 s GLN 75 N -2.05 1.04 -0.38 2.90 -1.52 0.12 -4.71 119.66 115.06 2a55 s GLN 75 Ca 0.26 -0.32 -0.08 0.00 -1.95 0.00 0.00 55.36 53.27 2a55 s GLN 75 Cb -0.02 -0.96 0.05 0.00 -0.22 0.00 0.00 33.01 31.86 2a55 s GLN 75 CO 0.03 0.11 0.18 0.08 -0.25 0.00 0.00 175.29 175.44 2a55 s VAL 76 N 0.23 4.09 -1.19 1.09 1.01 -1.26 -1.96 120.40 122.42 2a55 s VAL 76 Ca -0.04 -1.20 -0.22 0.00 0.00 0.00 0.00 61.98 60.53 2a55 s VAL 76 Cb -0.09 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2a55 s VAL 76 CO 0.01 -0.32 1.88 -0.70 0.00 0.00 0.00 175.10 175.97 2a55 s GLU 77 N 1.43 2.83 0.08 2.72 2.12 -1.10 -4.94 118.70 121.84 2a55 s GLU 77 Ca 0.01 -1.29 -0.07 0.00 0.36 0.00 0.00 54.97 53.98 2a55 s GLU 77 Cb -0.21 -5.30 -0.05 0.00 0.26 0.00 0.00 34.13 28.83 2a55 s GLU 77 CO 0.03 -3.55 0.35 0.42 -0.54 0.00 0.00 175.26 171.97 2a55 s ILE 78 N 9.43 5.18 0.00 -3.70 -1.09 -1.26 -4.52 121.20 125.23 2a55 s ILE 78 Ca 0.65 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 2a55 s ILE 78 Cb -0.00 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2a55 s ILE 78 CO 0.11 0.23 0.00 2.29 -1.23 0.00 0.00 174.94 176.34 2a55 n LYS 79 N 0.70 0.00 0.00 2.79 0.00 -1.26 -4.96 118.16 115.44 2a55 n LYS 79 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2a55 n LYS 79 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -2.15 0.00 -0.86 0.58 -2.24 -1.26 -4.78 114.28 103.57 2a55 n THR 80 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2a55 n THR 80 Cb 0.00 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.12 -4.93 -3.11 3.42 9.92 -1.26 -1.71 116.55 118.77 2a55 n ASP 81 Ca 0.00 0.02 -0.14 0.00 -0.53 0.00 0.00 54.79 54.14 2a55 n ASP 81 Cb 0.12 -3.04 0.07 0.00 -0.64 0.00 0.00 41.12 37.64 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 -0.11 -4.86 -3.14 0.64 7.99 -1.26 -4.83 117.00 111.43 2a55 n LEU 82 Ca -0.01 -0.61 -0.40 0.00 -0.01 0.00 0.00 56.01 54.98 2a55 n LEU 82 Cb 0.42 -2.92 0.03 0.00 -0.11 0.00 0.00 43.42 40.84 2a55 n LEU 82 CO 0.01 0.16 1.48 -1.54 -1.51 0.00 0.00 177.39 176.00 2a55 n SER 83 N -3.01 7.42 -1.62 -1.43 3.41 -0.69 -1.59 113.62 116.10 2a55 n SER 83 Ca -0.12 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 2a55 n SER 83 Cb 0.62 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a55 n PHE 84 N -0.39 -3.26 -2.43 7.33 7.35 -1.25 -4.82 117.46 119.99 2a55 n PHE 84 Ca 0.51 1.72 -0.05 0.00 -0.76 0.00 0.00 57.45 58.88 2a55 n PHE 84 Cb 0.25 -2.68 0.03 0.00 0.35 0.00 0.00 39.48 37.43 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N -0.30 0.23 3.15 7.13 0.00 -1.10 -4.99 105.19 109.32 2a55 n GLY 85 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.37 -0.04 -0.12 1.61 1.04 -1.26 -4.93 113.70 106.64 2a55 s SER 86 Ca 0.01 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.32 2a55 s SER 86 Cb -0.00 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 2a55 s SER 86 CO 0.21 -0.40 -0.13 -1.58 0.98 0.00 0.00 173.24 172.31 2a55 s GLN 87 N -1.38 3.25 -0.37 4.02 -0.44 -1.25 -2.60 119.66 120.88 2a55 s GLN 87 Ca -0.14 -0.69 0.01 0.00 -2.50 0.00 0.00 55.36 52.03 2a55 s GLN 87 Cb -0.07 -2.59 0.12 0.00 -1.64 0.00 0.00 33.01 28.83 2a55 s GLN 87 CO 0.02 0.27 0.15 0.96 0.50 0.00 0.00 175.29 177.20 2a55 s ILE 88 N 0.19 1.24 1.23 -2.34 -4.36 -0.97 -4.94 121.20 111.25 2a55 s ILE 88 Ca -0.08 -1.99 -0.16 0.00 -0.26 0.00 0.00 60.65 58.15 2a55 s ILE 88 Cb -0.15 -1.91 0.27 0.00 1.25 0.00 0.00 42.46 41.92 2a55 s ILE 88 CO 0.05 -0.76 0.71 -0.62 0.24 0.00 0.00 174.94 174.56 2a55 n GLU 89 N 4.22 -2.82 -4.09 0.37 1.02 -1.26 -4.11 120.64 113.98 2a55 n GLU 89 Ca 0.03 -0.81 -0.14 0.00 -0.02 0.00 0.00 57.16 56.22 2a55 n GLU 89 Cb 0.39 -1.97 -0.13 0.00 -0.02 0.00 0.00 31.44 29.70 2a55 n GLU 89 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2a55 s PHE 90 N -2.28 0.44 -0.14 -0.32 0.08 -1.15 -2.72 117.98 111.89 2a55 s PHE 90 Ca 0.64 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 2a55 s PHE 90 Cb -0.19 -0.28 0.04 0.00 -0.57 0.00 0.00 43.02 42.02 2a55 s PHE 90 CO 0.63 -0.03 -0.05 -1.12 -0.10 0.00 0.00 175.22 174.55 2a55 s SER 91 N -0.50 2.44 -0.03 1.36 0.01 -0.83 -4.89 113.70 111.26 2a55 s SER 91 Ca -0.02 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 2a55 s SER 91 Cb -0.04 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 2a55 s SER 91 CO -0.00 -0.17 1.02 0.00 0.41 0.00 0.00 173.24 174.50 2a55 n SER 93 N 4.28 -2.60 0.00 0.00 7.64 -1.12 -4.49 113.62 117.33 2a55 n SER 93 Ca 0.07 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2a55 n SER 93 Cb 0.50 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N 0.34 0.00 -0.01 1.43 2.13 -1.26 -1.00 120.64 122.27 2a55 n GLU 94 Ca 0.02 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2a55 n GLU 94 Cb 0.32 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 30.97 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 1.15 3.32 8.31 0.00 -1.26 -4.72 105.19 111.01 2a55 n GLY 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.46 -0.22 0.25 1.61 0.08 -0.17 -2.78 117.98 117.21 2a55 s PHE 96 Ca 0.00 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.08 2a55 s PHE 96 Cb 0.00 0.24 -0.05 0.00 -0.57 0.00 0.00 43.02 42.64 2a55 s PHE 96 CO 0.00 -0.65 0.05 -0.59 -0.10 0.00 0.00 175.22 173.92 2a55 s PHE 97 N -3.32 1.60 0.14 0.36 -0.71 -0.94 -4.22 117.98 110.90 2a55 s PHE 97 Ca -0.00 -1.03 -0.16 0.00 -1.04 0.00 0.00 56.93 54.70 2a55 s PHE 97 Cb 0.01 -0.96 -0.07 0.00 -1.21 0.00 0.00 43.02 40.79 2a55 s PHE 97 CO -0.08 -0.15 0.58 -1.17 -1.34 0.00 0.00 175.22 173.06 2a55 s LEU 98 N -3.33 4.38 -0.50 -1.99 0.20 -1.26 -3.23 118.68 112.95 2a55 s LEU 98 Ca 0.33 1.18 0.07 0.00 0.69 0.00 0.00 54.13 56.39 2a55 s LEU 98 Cb 0.07 -3.25 0.19 0.00 -0.43 0.00 0.00 46.19 42.77 2a55 s LEU 98 CO 0.11 0.13 0.67 -0.63 -0.29 0.00 0.00 176.35 176.34 2a55 s ILE 99 N -1.40 -0.79 0.00 6.68 1.01 -0.82 -4.97 121.20 120.92 2a55 s ILE 99 Ca 0.37 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2a55 s ILE 99 Cb -0.16 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2a55 s ILE 99 CO 0.19 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2a55 n GLY 100 N 2.94 -0.21 2.50 6.18 0.00 -1.26 -2.03 105.19 113.31 2a55 n GLY 100 Ca 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.67 0.00 1.61 3.41 -1.26 -4.45 113.62 108.25 2a55 n SER 101 Ca 0.00 1.48 0.04 0.00 -0.26 0.00 0.00 58.87 60.13 2a55 n SER 101 Cb 0.00 -4.46 0.20 0.00 -0.26 0.00 0.00 64.21 59.69 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 1.90 0.63 -4.44 6.66 -2.24 -1.26 -4.62 114.28 110.91 2a55 n THR 102 Ca -0.17 0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.51 2a55 n THR 102 Cb 0.27 -1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.42 2.37 -0.17 4.28 -4.23 -1.26 -2.92 115.64 111.30 2a55 s THR 103 Ca 0.08 -2.19 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 2a55 s THR 103 Cb 0.05 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.79 2a55 s THR 103 CO 0.11 -0.26 0.27 -0.94 -0.54 0.00 0.00 174.62 173.26 2a55 s SER 104 N -3.04 0.63 0.17 3.99 1.04 -1.26 -4.86 113.70 110.38 2a55 s SER 104 Ca 0.25 0.31 0.04 0.00 0.48 0.00 0.00 55.95 57.03 2a55 s SER 104 Cb -0.06 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2a55 s SER 104 CO 0.12 -0.27 0.24 -0.13 0.98 0.00 0.00 173.24 174.17 2a55 s ARG 105 N 2.41 3.22 -0.32 4.02 0.52 -1.26 -2.29 118.95 125.25 2a55 s ARG 105 Ca 0.04 -0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 54.40 2a55 s ARG 105 Cb -0.14 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 2a55 s ARG 105 CO -0.11 0.49 0.17 0.00 0.02 0.00 0.00 175.30 175.87 2a55 n GLU 107 N 5.00 0.88 -4.49 0.00 4.07 -0.82 -2.69 120.64 122.60 2a55 n GLU 107 Ca -0.14 -1.56 -0.24 0.00 -0.06 0.00 0.00 57.16 55.17 2a55 n GLU 107 Cb 0.49 0.78 -0.10 0.00 -0.06 0.00 0.00 31.44 32.55 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2a55 s VAL 108 N -2.16 2.11 -0.05 6.31 1.01 -1.26 0.14 120.40 126.50 2a55 s VAL 108 Ca 0.08 -2.23 0.02 0.00 0.00 0.00 0.00 61.98 59.85 2a55 s VAL 108 Cb 0.00 -2.48 0.06 0.00 0.00 0.00 0.00 36.38 33.97 2a55 s VAL 108 CO 0.06 -0.30 0.97 0.00 0.00 0.00 0.00 175.10 175.83 2a55 n GLN 109 N -0.67 0.21 0.00 2.72 10.64 -1.26 -4.37 117.38 124.65 2a55 n GLN 109 Ca -0.05 -0.91 0.00 0.00 -1.83 0.00 0.00 57.00 54.21 2a55 n GLN 109 Cb 0.62 0.48 0.00 0.00 -0.86 0.00 0.00 30.24 30.48 2a55 n GLN 109 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2a55 n ASP 110 N -0.24 0.00 0.00 2.61 2.03 -1.26 -4.93 116.55 114.76 2a55 n ASP 110 Ca -0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.08 2a55 n ASP 110 Cb 0.68 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2a55 n ARG 111 N 0.00 1.08 -0.65 -0.67 5.12 -1.26 -4.88 116.66 115.40 2a55 n ARG 111 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2a55 n ARG 111 Cb 0.00 -0.09 0.21 0.00 -1.16 0.00 0.00 32.46 31.42 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a55 n GLY 112 N 0.00 4.78 1.47 -0.13 0.00 -1.26 -4.96 105.19 105.08 2a55 n GLY 112 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2a55 n GLY 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2a55 n VAL 113 N -1.04 -2.32 -4.62 1.61 3.14 -1.26 -4.69 118.33 109.14 2a55 n VAL 113 Ca 0.28 1.15 -0.30 0.00 -2.96 0.00 0.00 64.34 62.51 2a55 n VAL 113 Cb 0.93 -1.90 -0.13 0.00 -1.06 0.00 0.00 33.84 31.68 2a55 n VAL 113 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2a55 s GLY 114 N -5.04 1.56 -0.08 7.55 0.00 0.38 -4.59 107.32 107.10 2a55 s GLY 114 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.25 2a55 s GLY 114 CO 0.00 -1.17 0.61 0.86 0.00 0.00 0.00 173.10 173.39 2a55 s TRP 115 N -0.95 3.56 0.09 1.90 -0.00 -1.26 -1.94 118.94 120.34 2a55 s TRP 115 Ca 0.15 1.11 -0.17 0.00 -0.00 0.00 0.00 56.10 57.19 2a55 s TRP 115 Cb -0.10 -2.69 -0.07 0.00 -0.00 0.00 0.00 33.47 30.61 2a55 s TRP 115 CO 0.06 0.14 1.49 0.77 -0.00 0.00 0.00 176.95 179.41 2a55 h SER 116 N 6.63 0.57 -2.69 5.86 0.02 -1.84 -3.47 113.55 118.64 2a55 h SER 116 Ca -0.41 -0.36 0.12 0.00 -0.84 0.00 0.00 61.79 60.29 2a55 h SER 116 Cb 1.19 -0.16 -0.28 0.00 0.14 0.00 0.00 62.40 63.29 2a55 h SER 116 CO 0.75 0.80 0.54 -2.28 -1.14 0.00 0.00 176.83 175.51 2a55 s HIS 117 N -4.78 -0.38 0.00 3.45 5.65 -1.26 -4.98 115.29 112.99 2a55 s HIS 117 Ca -0.13 0.86 0.00 0.00 0.25 0.00 0.00 55.06 56.04 2a55 s HIS 117 Cb 0.08 0.35 0.00 0.00 -1.18 0.00 0.00 32.58 31.83 2a55 s HIS 117 CO 0.78 -0.19 0.00 -0.35 -0.65 0.00 0.00 174.74 174.33 2a55 n PRO 118 N 2.61 3.06 -1.57 2.88 -0.04 -1.26 -4.70 135.00 135.99 2a55 n PRO 118 Ca -0.14 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.76 2a55 n PRO 118 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 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 1.04 0.00 1.53 7.99 -1.26 -4.97 117.00 121.33 2a55 n LEU 119 Ca 0.00 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.13 2a55 n LEU 119 Cb 0.00 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.23 2a55 n LEU 119 CO 0.00 -1.34 0.00 -0.81 -1.51 0.00 0.00 177.39 173.73 2a55 n PRO 120 N 2.29 0.34 -3.57 3.23 -0.04 -1.26 -5.03 135.00 130.96 2a55 n PRO 120 Ca 0.20 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 2a55 n PRO 120 Cb 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.49 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 -1.70 3.49 -0.44 0.54 -1.52 -0.86 -4.93 119.66 114.23 2a55 s GLN 121 Ca 0.00 -0.64 -0.13 0.00 -1.95 0.00 0.00 55.36 52.64 2a55 s GLN 121 Cb 0.00 -3.73 0.07 0.00 -0.22 0.00 0.00 33.01 29.13 2a55 s GLN 121 CO 0.00 -0.42 0.33 0.00 -0.25 0.00 0.00 175.29 174.96 2a55 s GLU 123 N 1.57 2.11 0.54 0.00 2.12 -1.20 -4.91 118.70 118.94 2a55 s GLU 123 Ca 0.04 -0.93 -0.21 0.00 0.36 0.00 0.00 54.97 54.23 2a55 s GLU 123 Cb -0.23 -2.11 -0.06 0.00 0.26 0.00 0.00 34.13 31.99 2a55 s GLU 123 CO 0.06 0.56 1.05 1.51 -0.54 0.00 0.00 175.26 177.90 2a55 n ILE 124 N 2.18 3.35 -4.31 -3.70 3.06 -1.25 -2.21 119.36 116.47 2a55 n ILE 124 Ca -0.16 -0.50 -0.34 0.00 -2.50 0.00 0.00 62.75 59.24 2a55 n ILE 124 Cb 0.52 -1.26 -0.11 0.00 0.54 0.00 0.00 39.64 39.33 2a55 n ILE 124 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 2a55 s LEU 125 N -1.88 3.50 -0.03 9.51 0.05 -1.12 -4.83 118.68 123.88 2a55 s LEU 125 Ca 0.71 0.03 -0.03 0.00 0.05 0.00 0.00 54.13 54.89 2a55 s LEU 125 Cb -0.45 -1.83 0.01 0.00 -2.05 0.00 0.00 46.19 41.87 2a55 s LEU 125 CO 0.50 0.26 0.06 -0.62 -0.55 0.00 0.00 176.35 176.00 2a55 n GLU 126 N 2.94 -3.87 -1.67 1.48 -0.58 -1.26 -4.90 120.64 112.78 2a55 n GLU 126 Ca -0.18 2.95 0.00 0.00 -0.42 0.00 0.00 57.16 59.51 2a55 n GLU 126 Cb 0.53 -3.87 0.00 0.00 -0.57 0.00 0.00 31.44 27.52 2a55 n GLU 126 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2a55 n HIS 127 N 1.38 -3.60 -3.70 -0.32 8.25 -1.26 -5.08 115.22 110.89 2a55 n HIS 127 Ca -0.10 2.17 -0.12 0.00 -0.26 0.00 0.00 57.72 59.40 2a55 n HIS 127 Cb 0.16 -3.25 -0.00 0.00 1.12 0.00 0.00 29.99 28.02 2a55 n HIS 127 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2a55 n HIS 128 N 1.37 -1.02 -3.79 4.41 1.44 -1.26 -4.96 115.22 111.41 2a55 n HIS 128 Ca 0.00 -1.10 -0.12 0.00 -2.01 0.00 0.00 57.72 54.49 2a55 n HIS 128 Cb 0.00 -0.21 -0.08 0.00 0.12 0.00 0.00 29.99 29.81 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2a55 s HIS 129 N -1.30 -0.09 -0.40 -1.40 2.46 -1.26 -5.13 115.29 108.16 2a55 s HIS 129 Ca 0.14 0.05 -0.19 0.00 0.47 0.00 0.00 55.06 55.53 2a55 s HIS 129 Cb -0.01 0.05 0.01 0.00 -0.13 0.00 0.00 32.58 32.50 2a55 s HIS 129 CO 0.09 -0.40 0.57 -1.01 -2.47 0.00 0.00 174.74 171.51 2a55 s HIS 130 N -1.80 3.12 0.00 3.88 3.76 -1.26 -4.69 115.29 118.30 2a55 s HIS 130 Ca -0.11 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2a55 s HIS 130 Cb -0.04 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.53 2a55 s HIS 130 CO 0.01 -0.72 0.00 -2.39 -0.85 0.00 0.00 174.74 170.79 2a55 n HIS 131 N 5.97 0.00 1.26 1.40 1.44 -1.26 -5.36 115.22 118.66 2a55 n HIS 131 Ca -0.04 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.80 2a55 n HIS 131 Cb 0.48 0.05 0.32 0.00 0.12 0.00 0.00 29.99 30.96 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11