#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 -0.32 0.41 3.17 3.04 -1.26 -4.11 114.94 115.88 2a55 s ASN 1 Ca 0.00 -0.49 0.07 0.00 0.04 0.00 0.00 52.86 52.48 2a55 s ASN 1 Cb 0.00 0.69 -0.06 0.00 -1.54 0.00 0.00 41.25 40.34 2a55 s ASN 1 CO 0.00 -1.24 0.13 0.00 -3.04 0.00 0.00 177.10 172.95 2a55 s GLY 3 N -3.85 1.69 0.15 0.00 0.00 -1.26 -4.48 107.32 99.56 2a55 s GLY 3 Ca 0.39 -0.98 -0.34 0.00 0.00 0.00 0.00 44.72 43.79 2a55 s GLY 3 CO 0.21 -0.53 1.25 -1.05 0.00 0.00 0.00 173.10 172.99 2a55 n PRO 4 N -3.02 1.25 -1.63 2.90 -0.02 -1.25 -4.79 135.00 128.44 2a55 n PRO 4 Ca 0.09 0.45 -0.53 0.00 -2.02 0.00 0.00 63.50 61.49 2a55 n PRO 4 Cb 0.60 -2.01 -0.06 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 2.08 1.43 -0.08 0.52 -0.02 -1.26 -4.95 135.00 132.72 2a55 n PRO 5 Ca 0.16 0.50 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 2a55 n PRO 5 Cb 0.23 -2.35 0.06 0.00 -0.02 0.00 0.00 33.50 31.43 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 6.49 -1.92 -3.56 0.52 -0.04 -1.26 -4.97 135.00 130.26 2a55 n PRO 6 Ca 0.29 -0.32 -0.36 0.00 -0.04 0.00 0.00 63.50 63.07 2a55 n PRO 6 Cb 0.20 -0.46 -0.07 0.00 -0.04 0.00 0.00 33.50 33.13 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 -1.15 5.31 -0.35 0.52 2.01 -1.26 -5.07 115.64 115.66 2a55 s THR 7 Ca 0.15 0.49 -0.07 0.00 0.31 0.00 0.00 61.69 62.56 2a55 s THR 7 Cb -0.03 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.92 2a55 s THR 7 CO 0.12 0.38 0.13 -0.76 -0.69 0.00 0.00 174.62 173.80 2a55 s LEU 8 N 0.59 4.46 0.36 4.42 1.02 -1.26 -4.93 118.68 123.33 2a55 s LEU 8 Ca 0.15 -1.16 0.19 0.00 0.02 0.00 0.00 54.13 53.33 2a55 s LEU 8 Cb -0.13 -1.90 0.54 0.00 0.02 0.00 0.00 46.19 44.72 2a55 s LEU 8 CO 0.03 -0.35 1.66 0.77 0.02 0.00 0.00 176.35 178.48 2a55 h SER 9 N 8.26 0.00 -0.92 2.29 4.64 -2.01 -3.11 113.55 122.70 2a55 h SER 9 Ca -0.23 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.54 2a55 h SER 9 Cb 1.08 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.95 2a55 h SER 9 CO 0.62 0.37 0.69 2.22 -0.87 0.00 0.00 176.83 179.86 2a55 n PHE 10 N -3.38 2.45 -3.67 4.77 -1.74 -1.26 -4.91 117.46 109.72 2a55 n PHE 10 Ca 0.01 -2.48 0.00 0.00 -0.56 0.00 0.00 57.45 54.41 2a55 n PHE 10 Cb 0.56 -1.25 0.00 0.00 1.52 0.00 0.00 39.48 40.32 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 -0.26 0.00 -3.64 1.98 0.00 -1.18 -4.83 120.51 112.58 2a55 n ALA 11 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.85 2a55 n ALA 11 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.00 -2.04 0.77 0.00 0.00 0.39 -4.76 121.76 115.12 2a55 s ALA 12 Ca 0.00 1.85 -0.16 0.00 0.00 0.00 0.00 51.96 53.65 2a55 s ALA 12 Cb 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 2a55 s ALA 12 CO 0.00 -0.21 0.17 -2.30 0.00 0.00 0.00 175.76 173.42 2a55 n PRO 13 N 2.15 0.11 0.07 0.00 -0.02 -1.26 0.13 135.00 136.18 2a55 n PRO 13 Ca -0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2a55 n PRO 13 Cb 0.56 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.05 0.00 -3.15 -0.52 1.56 -1.26 -4.54 117.12 109.25 2a55 n MET 14 Ca 0.07 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.56 2a55 n MET 14 Cb 0.51 -0.08 -0.01 0.00 2.15 0.00 0.00 33.22 35.79 2a55 n MET 14 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2a55 s ASP 15 N -5.08 -0.31 0.00 6.12 2.15 -1.26 -5.02 116.67 113.27 2a55 s ASP 15 Ca 0.00 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2a55 s ASP 15 Cb 0.00 1.22 0.00 0.00 -0.30 0.00 0.00 42.92 43.84 2a55 s ASP 15 CO 0.00 -0.06 0.00 2.30 -0.17 0.00 0.00 175.17 177.24 2a55 n ILE 16 N 5.25 0.00 -2.42 4.11 -5.35 -1.26 -4.63 119.36 115.07 2a55 n ILE 16 Ca 0.02 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.47 2a55 n ILE 16 Cb 0.56 0.00 0.06 0.00 -1.74 0.00 0.00 39.64 38.52 2a55 n ILE 16 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2a55 n THR 17 N 0.00 0.00 0.92 7.28 -1.04 -1.26 -4.96 114.28 115.22 2a55 n THR 17 Ca 0.00 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2a55 n THR 17 Cb 0.00 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 2a55 n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a55 n LEU 18 N -0.89 1.20 -0.00 -4.42 -0.00 -1.26 -3.45 117.00 108.19 2a55 n LEU 18 Ca -0.17 -0.60 0.14 0.00 -0.00 0.00 0.00 56.01 55.38 2a55 n LEU 18 Cb 0.75 -0.46 0.70 0.00 -0.00 0.00 0.00 43.42 44.41 2a55 n LEU 18 CO -0.13 0.27 1.00 0.35 -0.00 0.00 0.00 177.39 178.88 2a55 n THR 19 N 0.12 0.00 -2.86 1.47 -2.24 -1.26 -4.81 114.28 104.69 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 0.27 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.38 1.68 -0.06 -0.78 -0.58 -1.22 -5.08 120.64 113.21 2a55 n GLU 20 Ca 0.11 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2a55 n GLU 20 Cb 0.28 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.08 2a55 n GLU 20 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2a55 n THR 21 N -0.63 0.81 -4.56 2.62 -2.24 -1.26 -5.05 114.28 103.97 2a55 n THR 21 Ca 0.00 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.13 2a55 n THR 21 Cb 0.00 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.28 1.84 0.00 -0.78 0.52 -1.26 -3.94 118.95 113.05 2a55 s ARG 22 Ca -0.13 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.05 2a55 s ARG 22 Cb 0.04 -1.40 0.00 0.00 0.52 0.00 0.00 34.95 34.11 2a55 s ARG 22 CO 0.40 -0.07 0.00 1.19 0.02 0.00 0.00 175.30 176.84 2a55 n PHE 23 N -0.86 0.00 -3.60 -0.53 3.01 -1.26 -5.08 117.46 109.14 2a55 n PHE 23 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 2a55 n PHE 23 Cb 0.66 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.12 2a55 n PHE 23 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2a55 s LYS 24 N 3.11 0.17 0.00 -1.08 -2.85 -1.26 -4.83 119.74 113.00 2a55 s LYS 24 Ca 0.00 -0.08 0.12 0.00 -1.00 0.00 0.00 55.97 55.00 2a55 s LYS 24 Cb 0.00 0.06 0.64 0.00 -2.06 0.00 0.00 37.83 36.47 2a55 s LYS 24 CO 0.00 -0.08 1.21 0.25 0.10 0.00 0.00 175.35 176.84 2a55 n THR 25 N -0.30 0.39 0.38 3.79 -2.24 -1.26 -1.38 114.28 113.66 2a55 n THR 25 Ca -0.04 0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.89 2a55 n THR 25 Cb 0.61 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.29 -0.20 3.61 3.38 0.00 -1.26 -4.20 105.19 106.24 2a55 n GLY 26 Ca 0.07 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.27 2.11 -0.25 2.61 -1.32 -0.48 -4.95 115.64 111.10 2a55 s THR 27 Ca 0.02 0.04 -0.10 0.00 -1.21 0.00 0.00 61.69 60.44 2a55 s THR 27 Cb 0.08 -2.10 0.10 0.00 -1.51 0.00 0.00 72.50 69.07 2a55 s THR 27 CO 0.47 -0.05 0.56 -0.89 -2.21 0.00 0.00 174.62 172.50 2a55 s THR 28 N -2.60 -0.59 0.13 5.08 2.01 -1.25 -4.14 115.64 114.27 2a55 s THR 28 Ca 0.67 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 2a55 s THR 28 Cb -0.23 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.46 2a55 s THR 28 CO 0.60 0.03 0.18 0.18 -0.69 0.00 0.00 174.62 174.92 2a55 n LEU 29 N 5.08 0.00 0.00 4.42 4.32 -0.69 -4.85 117.00 125.29 2a55 n LEU 29 Ca -0.14 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 2a55 n LEU 29 Cb 0.52 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2a55 n LEU 29 CO -0.01 -0.60 0.00 1.17 -1.22 0.00 0.00 177.39 176.73 2a55 n LYS 30 N -1.35 0.00 -1.25 3.23 0.00 -1.26 -4.12 118.16 113.42 2a55 n LYS 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2a55 n LYS 30 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.12 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 -1.12 -3.42 -4.40 5.64 4.02 -1.26 -3.99 117.16 112.63 2a55 n TYR 31 Ca 0.00 1.85 -0.20 0.00 -0.01 0.00 0.00 57.90 59.54 2a55 n TYR 31 Cb 0.00 -2.97 -0.10 0.00 -0.02 0.00 0.00 39.34 36.24 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 -4.88 1.21 -0.31 -0.72 -1.32 0.12 -4.82 115.64 104.92 2a55 s THR 32 Ca 0.00 -2.04 -0.08 0.00 -1.21 0.00 0.00 61.69 58.36 2a55 s THR 32 Cb 0.00 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.44 2a55 s THR 32 CO 0.00 -0.18 0.11 0.00 -2.21 0.00 0.00 174.62 172.35 2a55 n LEU 34 N 4.90 -3.01 -4.56 0.00 4.77 -1.26 -4.70 117.00 113.14 2a55 n LEU 34 Ca -0.14 -0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.46 2a55 n LEU 34 Cb 0.48 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2a55 n LEU 34 CO 0.33 -3.13 1.80 -2.16 -1.33 0.00 0.00 177.39 172.90 2a55 s PRO 35 N -2.51 2.55 0.00 3.23 0.04 -1.26 -2.93 135.00 134.12 2a55 s PRO 35 Ca 0.43 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2a55 s PRO 35 Cb -0.01 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2a55 s PRO 35 CO 0.68 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 175.35 2a55 n GLY 36 N 5.80 0.02 3.82 0.56 0.00 -1.26 -5.14 105.19 108.98 2a55 n GLY 36 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 3.32 0.00 1.61 1.51 -1.15 -3.82 117.35 118.83 2a55 s TYR 37 Ca 0.00 1.62 0.00 0.00 -1.01 0.00 0.00 57.07 57.68 2a55 s TYR 37 Cb 0.00 -2.86 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 2a55 s TYR 37 CO 0.00 -0.12 0.00 1.33 -1.11 0.00 0.00 175.55 175.65 2a55 n VAL 38 N -0.58 0.00 0.00 0.71 0.24 -1.26 -4.82 118.33 112.62 2a55 n VAL 38 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2a55 n VAL 38 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 2a55 n VAL 38 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2a55 n ARG 39 N 0.00 2.38 -2.33 7.34 3.00 -1.26 -4.15 116.66 121.63 2a55 n ARG 39 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2a55 n ARG 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2a55 n ARG 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2a55 n SER 40 N 0.00 -5.02 -1.07 6.15 7.64 -1.26 -2.25 113.62 117.80 2a55 n SER 40 Ca 0.00 -0.07 0.05 0.00 1.01 0.00 0.00 58.87 59.86 2a55 n SER 40 Cb 0.00 -3.26 -0.01 0.00 -1.01 0.00 0.00 64.21 59.93 2a55 n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2a55 n HIS 41 N -1.49 -2.36 -0.77 1.43 8.25 -1.26 0.15 115.22 119.17 2a55 n HIS 41 Ca -0.00 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2a55 n HIS 41 Cb 0.51 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.34 0.00 -4.65 0.41 2.88 -1.26 -3.20 113.62 104.46 2a55 n SER 42 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.12 2a55 n SER 42 Cb 0.16 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 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 3.77 -0.39 2.46 2.01 -1.26 -4.86 115.64 117.36 2a55 s THR 43 Ca 0.00 0.91 0.03 0.00 0.31 0.00 0.00 61.69 62.94 2a55 s THR 43 Cb 0.00 -3.68 0.11 0.00 0.01 0.00 0.00 72.50 68.94 2a55 s THR 43 CO 0.00 -0.19 0.12 -1.10 -0.69 0.00 0.00 174.62 172.76 2a55 s GLN 44 N 4.23 1.67 -0.17 4.92 -0.21 -1.26 -4.20 119.66 124.64 2a55 s GLN 44 Ca 0.69 -2.06 -0.08 0.00 0.02 0.00 0.00 55.36 53.93 2a55 s GLN 44 Cb -0.27 -3.28 0.07 0.00 1.00 0.00 0.00 33.01 30.52 2a55 s GLN 44 CO 0.26 -1.00 0.39 0.95 -2.12 0.00 0.00 175.29 173.78 2a55 s THR 45 N 0.63 -0.26 -0.40 -0.19 -4.23 -1.26 -4.16 115.64 105.78 2a55 s THR 45 Ca 0.12 0.14 -0.14 0.00 -1.18 0.00 0.00 61.69 60.63 2a55 s THR 45 Cb -0.21 -0.60 0.02 0.00 1.34 0.00 0.00 72.50 73.05 2a55 s THR 45 CO -0.06 0.06 0.28 -0.76 -0.54 0.00 0.00 174.62 173.60 2a55 s LEU 46 N 1.87 4.98 0.04 4.79 1.43 -1.26 -4.70 118.68 125.82 2a55 s LEU 46 Ca -0.06 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 2a55 s LEU 46 Cb -0.10 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2a55 s LEU 46 CO -0.12 -0.42 -0.24 -0.89 0.23 0.00 0.00 176.35 174.92 2a55 s THR 47 N 1.66 2.35 -0.27 5.49 2.01 -1.23 -1.71 115.64 123.95 2a55 s THR 47 Ca 0.05 -1.29 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 2a55 s THR 47 Cb -0.19 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.40 2a55 s THR 47 CO 0.09 0.38 1.15 0.00 -0.69 0.00 0.00 174.62 175.55 2a55 n ASN 49 N 6.86 0.00 -2.88 0.00 0.23 -1.13 -4.15 115.26 114.19 2a55 n ASN 49 Ca 0.13 -0.59 -0.32 0.00 -0.53 0.00 0.00 54.58 53.27 2a55 n ASN 49 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2a55 n SER 50 N -1.77 5.66 0.00 0.53 2.88 -1.26 -4.51 113.62 115.16 2a55 n SER 50 Ca 0.00 -3.73 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 2a55 n SER 50 Cb 0.00 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 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 -0.36 3.16 0.00 -3.46 8.00 -1.26 -5.03 116.55 117.60 2a55 n ASP 51 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2a55 n ASP 51 Cb 0.43 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a55 n GLY 52 N 2.96 -0.74 0.00 0.44 0.00 -1.26 -5.13 105.19 101.46 2a55 n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a55 n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2a55 n GLU 53 N 0.00 0.00 -3.44 1.61 0.00 -1.26 -4.64 120.64 112.91 2a55 n GLU 53 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.77 2a55 n GLU 53 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2a55 s TRP 54 N -3.14 3.26 0.15 -1.84 0.52 -1.26 -2.82 118.94 113.81 2a55 s TRP 54 Ca 0.00 0.38 0.02 0.00 0.02 0.00 0.00 56.10 56.52 2a55 s TRP 54 Cb 0.00 -2.52 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 2a55 s TRP 54 CO 0.00 -0.18 0.29 0.08 0.02 0.00 0.00 176.95 177.16 2a55 s VAL 55 N 1.89 5.32 0.00 4.03 1.01 -1.00 -4.96 120.40 126.70 2a55 s VAL 55 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2a55 s VAL 55 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2a55 s VAL 55 CO 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.11 2a55 n TYR 56 N -0.54 0.00 -2.26 5.22 4.11 -1.26 -3.50 117.16 118.93 2a55 n TYR 56 Ca -0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.57 2a55 n TYR 56 Cb 0.54 0.00 0.05 0.00 -0.00 0.00 0.00 39.34 39.93 2a55 n TYR 56 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 2a55 s ASN 57 N 0.00 5.17 -1.24 9.48 0.02 -1.26 -4.98 114.94 122.12 2a55 s ASN 57 Ca 0.00 0.60 -0.11 0.00 -1.02 0.00 0.00 52.86 52.34 2a55 s ASN 57 Cb 0.00 -1.40 0.18 0.00 0.02 0.00 0.00 41.25 40.04 2a55 s ASN 57 CO 0.00 -1.36 1.67 0.41 0.02 0.00 0.00 177.10 177.84 2a55 n THR 58 N -2.79 4.36 -1.68 1.60 -1.04 -1.26 -4.95 114.28 108.52 2a55 n THR 58 Ca 0.06 -4.62 -0.45 0.00 -2.04 0.00 0.00 64.05 57.01 2a55 n THR 58 Cb 0.59 -2.39 -0.03 0.00 -1.82 0.00 0.00 70.33 66.68 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 4.42 2.28 -1.43 -1.42 1.16 -1.26 -4.50 117.46 116.72 2a55 n PHE 59 Ca 0.38 0.36 0.19 0.00 -1.87 0.00 0.00 57.45 56.50 2a55 n PHE 59 Cb 0.39 -2.50 -0.06 0.00 -1.61 0.00 0.00 39.48 35.70 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 -4.24 0.00 -1.95 0.00 3.06 -0.96 -4.64 119.36 110.63 2a55 n ILE 61 Ca -0.01 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.22 2a55 n ILE 61 Cb 0.66 -0.01 -0.01 0.00 0.54 0.00 0.00 39.64 40.82 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2a55 n TYR 62 N -1.50 -2.73 -3.15 9.51 4.19 -1.26 -4.90 117.16 117.31 2a55 n TYR 62 Ca 0.00 1.61 0.04 0.00 3.31 0.00 0.00 57.90 62.86 2a55 n TYR 62 Cb 0.01 -3.00 -0.00 0.00 0.49 0.00 0.00 39.34 36.83 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 -1.01 0.46 0.39 2.98 -2.85 -1.25 -4.94 119.74 113.51 2a55 s LYS 63 Ca -0.08 0.54 -0.01 0.00 -1.00 0.00 0.00 55.97 55.42 2a55 s LYS 63 Cb 0.01 0.26 0.08 0.00 -2.06 0.00 0.00 37.83 36.12 2a55 s LYS 63 CO 0.22 -0.78 0.54 2.89 0.10 0.00 0.00 175.35 178.32 2a55 n ARG 64 N 5.37 0.18 -4.78 1.78 0.00 -1.26 -2.27 116.66 115.68 2a55 n ARG 64 Ca 0.04 -1.41 -0.30 0.00 -0.00 0.00 0.00 57.85 56.18 2a55 n ARG 64 Cb 0.54 -0.37 -0.14 0.00 -0.00 0.00 0.00 32.46 32.49 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a55 n ARG 66 N 1.66 1.85 -1.56 0.00 0.00 -1.26 -4.70 116.66 112.65 2a55 n ARG 66 Ca -0.17 0.66 -0.52 0.00 -0.00 0.00 0.00 57.85 57.82 2a55 n ARG 66 Cb 0.52 -2.23 -0.06 0.00 0.00 0.00 0.00 32.46 30.69 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 1.17 1.88 -0.40 -0.14 -0.00 -1.26 -4.76 115.22 111.70 2a55 n HIS 67 Ca 0.10 0.27 0.34 0.00 -0.00 0.00 0.00 57.72 58.42 2a55 n HIS 67 Cb 0.32 -2.55 0.57 0.00 -0.00 0.00 0.00 29.99 28.33 2a55 n HIS 67 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2a55 n PRO 68 N 7.22 -0.03 0.00 1.57 -0.02 -1.26 -4.87 135.00 137.61 2a55 n PRO 68 Ca 0.33 1.05 0.00 0.00 -2.02 0.00 0.00 63.50 62.86 2a55 n PRO 68 Cb 0.22 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2a55 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a55 n GLY 69 N -1.44 -1.33 3.70 -1.23 0.00 -1.26 -4.50 105.19 99.13 2a55 n GLY 69 Ca 0.34 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.36 4.46 -0.68 1.61 2.12 -1.26 -4.88 118.70 119.71 2a55 s GLU 70 Ca 0.00 1.30 -0.19 0.00 0.36 0.00 0.00 54.97 56.45 2a55 s GLU 70 Cb 0.00 -3.51 0.12 0.00 0.26 0.00 0.00 34.13 31.00 2a55 s GLU 70 CO 0.00 -0.18 0.80 -1.17 -0.54 0.00 0.00 175.26 174.17 2a55 s LEU 71 N 1.54 5.44 0.11 2.70 2.96 -1.26 -5.01 118.68 125.16 2a55 s LEU 71 Ca 0.47 -1.66 -0.31 0.00 -0.22 0.00 0.00 54.13 52.41 2a55 s LEU 71 Cb -0.19 -2.31 -0.10 0.00 0.50 0.00 0.00 46.19 44.09 2a55 s LEU 71 CO 0.21 -1.06 1.81 -0.60 -1.32 0.00 0.00 176.35 175.39 2a55 s ARG 72 N 2.47 4.14 -1.19 1.98 3.52 -1.26 -0.43 118.95 128.18 2a55 s ARG 72 Ca 0.16 2.56 -0.04 0.00 -0.13 0.00 0.00 55.73 58.28 2a55 s ARG 72 Cb -0.19 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 2a55 s ARG 72 CO 0.02 -0.83 1.02 0.09 -0.81 0.00 0.00 175.30 174.79 2a55 n ASN 73 N 5.76 -4.18 -3.52 -2.12 3.02 -1.26 -4.63 115.26 108.33 2a55 n ASN 73 Ca 0.18 -0.54 -0.02 0.00 -0.03 0.00 0.00 54.58 54.17 2a55 n ASN 73 Cb 0.39 -4.75 0.01 0.00 -0.61 0.00 0.00 39.78 34.81 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 -3.75 -0.04 -0.03 7.41 0.00 0.43 -2.24 107.32 109.11 2a55 s GLY 74 Ca 0.29 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.93 2a55 s GLY 74 CO 0.68 1.76 -0.08 1.62 0.00 0.00 0.00 173.10 177.08 2a55 s GLN 75 N -2.48 0.89 -0.39 2.90 0.74 0.25 -4.56 119.66 117.00 2a55 s GLN 75 Ca 0.19 -0.27 -0.09 0.00 0.05 0.00 0.00 55.36 55.24 2a55 s GLN 75 Cb -0.01 -0.84 0.05 0.00 1.10 0.00 0.00 33.01 33.31 2a55 s GLN 75 CO 0.03 0.09 0.22 0.08 -0.55 0.00 0.00 175.29 175.16 2a55 s VAL 76 N 0.25 4.30 -0.70 1.34 1.01 -1.26 -1.20 120.40 124.14 2a55 s VAL 76 Ca -0.04 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 2a55 s VAL 76 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2a55 s VAL 76 CO 0.00 -0.36 1.60 -0.70 0.00 0.00 0.00 175.10 175.65 2a55 s GLU 77 N 1.47 2.91 -0.61 2.72 2.56 0.12 -4.93 118.70 122.95 2a55 s GLU 77 Ca 0.02 0.11 -0.07 0.00 0.00 0.00 0.00 54.97 55.02 2a55 s GLU 77 Cb -0.21 -4.39 0.16 0.00 2.00 0.00 0.00 34.13 31.69 2a55 s GLU 77 CO 0.04 -2.50 0.47 0.42 -0.56 0.00 0.00 175.26 173.13 2a55 s ILE 78 N 7.52 4.24 -0.09 -3.70 -1.09 -1.26 -4.10 121.20 122.72 2a55 s ILE 78 Ca 0.53 -2.45 0.13 0.00 -2.23 0.00 0.00 60.65 56.62 2a55 s ILE 78 Cb -0.10 -3.74 0.22 0.00 -1.58 0.00 0.00 42.46 37.27 2a55 s ILE 78 CO 0.15 -0.87 1.11 2.29 -1.23 0.00 0.00 174.94 176.40 2a55 n LYS 79 N 4.08 0.82 0.00 2.79 -0.00 -1.26 -4.65 118.16 119.93 2a55 n LYS 79 Ca 0.04 -2.12 0.00 0.00 -0.00 0.00 0.00 58.31 56.23 2a55 n LYS 79 Cb 0.41 -1.09 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 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 -0.81 0.00 -0.91 0.58 -2.24 -1.26 -4.97 114.28 104.68 2a55 n THR 80 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2a55 n THR 80 Cb 0.70 1.72 0.00 0.00 -2.10 0.00 0.00 70.33 70.65 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 -5.07 -2.58 3.42 9.92 -1.26 -1.46 116.55 119.52 2a55 n ASP 81 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 2a55 n ASP 81 Cb 0.32 -3.27 0.05 0.00 -0.64 0.00 0.00 41.12 37.58 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 -3.64 -4.73 0.64 7.99 -1.26 -4.00 117.00 111.99 2a55 n LEU 82 Ca 0.00 -0.42 -0.37 0.00 -0.01 0.00 0.00 56.01 55.21 2a55 n LEU 82 Cb 0.42 -2.21 -0.06 0.00 -0.11 0.00 0.00 43.42 41.46 2a55 n LEU 82 CO 0.00 0.19 0.10 -0.44 -1.51 0.00 0.00 177.39 175.73 2a55 s SER 83 N -3.67 6.61 0.01 -1.43 0.01 -0.54 0.21 113.70 114.89 2a55 s SER 83 Ca 0.09 0.72 -0.14 0.00 1.31 0.00 0.00 55.95 57.93 2a55 s SER 83 Cb -0.01 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.90 2a55 s SER 83 CO 0.47 0.06 0.38 0.33 0.41 0.00 0.00 173.24 174.89 2a55 n PHE 84 N 3.52 0.20 -2.49 2.43 7.35 -0.96 -2.40 117.46 125.11 2a55 n PHE 84 Ca -0.09 0.39 -0.00 0.00 -0.76 0.00 0.00 57.45 56.98 2a55 n PHE 84 Cb 0.52 -0.77 0.00 0.00 0.35 0.00 0.00 39.48 39.58 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 0.57 0.90 3.00 7.13 0.00 0.27 -4.77 105.19 112.30 2a55 n GLY 85 Ca 0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 2a55 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a55 s SER 86 N -3.01 0.27 -0.07 1.61 0.01 -1.01 -4.94 113.70 106.57 2a55 s SER 86 Ca 0.01 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.73 2a55 s SER 86 Cb -0.00 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 2a55 s SER 86 CO 0.01 -0.35 -0.19 -1.58 0.41 0.00 0.00 173.24 171.54 2a55 s GLN 87 N -1.88 2.71 -0.21 12.44 -0.44 -1.26 -0.24 119.66 130.79 2a55 s GLN 87 Ca -0.12 -0.79 0.01 0.00 -2.50 0.00 0.00 55.36 51.96 2a55 s GLN 87 Cb -0.07 -2.33 0.05 0.00 -1.64 0.00 0.00 33.01 29.02 2a55 s GLN 87 CO -0.02 0.42 -0.10 0.96 0.50 0.00 0.00 175.29 177.05 2a55 s ILE 88 N -0.23 1.69 0.61 -2.34 -4.36 0.54 -4.91 121.20 112.19 2a55 s ILE 88 Ca -0.00 -1.09 -0.12 0.00 -0.26 0.00 0.00 60.65 59.17 2a55 s ILE 88 Cb -0.13 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 2a55 s ILE 88 CO 0.03 0.13 1.03 -1.61 0.24 0.00 0.00 174.94 174.75 2a55 s GLU 89 N 1.36 3.58 0.50 0.37 2.02 -1.26 -2.75 118.70 122.53 2a55 s GLU 89 Ca -0.02 0.83 0.02 0.00 0.02 0.00 0.00 54.97 55.82 2a55 s GLU 89 Cb -0.17 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 2a55 s GLU 89 CO -0.08 -0.58 0.02 -0.06 0.02 0.00 0.00 175.26 174.58 2a55 s PHE 90 N -3.02 1.91 -0.29 1.61 0.08 -1.15 -0.70 117.98 116.41 2a55 s PHE 90 Ca 0.56 -0.93 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2a55 s PHE 90 Cb -0.11 -1.64 0.19 0.00 -0.57 0.00 0.00 43.02 40.88 2a55 s PHE 90 CO 0.49 0.21 0.57 -1.12 -0.10 0.00 0.00 175.22 175.27 2a55 s SER 91 N -3.89 -1.26 -0.26 1.36 0.01 -0.34 -4.87 113.70 104.46 2a55 s SER 91 Ca 0.09 0.63 -0.28 0.00 1.31 0.00 0.00 55.95 57.71 2a55 s SER 91 Cb 0.02 2.02 0.01 0.00 0.21 0.00 0.00 66.02 68.28 2a55 s SER 91 CO 0.05 -0.28 1.01 0.00 0.41 0.00 0.00 173.24 174.44 2a55 n SER 93 N 6.41 -2.95 -4.34 0.00 3.41 -0.95 -4.62 113.62 110.59 2a55 n SER 93 Ca 0.11 0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 2a55 n SER 93 Cb 0.47 -0.87 0.02 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.32 0.22 0.00 4.33 4.07 -1.26 -1.20 120.64 126.47 2a55 n GLU 94 Ca 0.01 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 2a55 n GLU 94 Cb 0.63 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.70 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 2.20 1.50 3.48 8.31 0.00 -1.26 -4.91 105.19 114.51 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2a55 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a55 s PHE 96 N 0.00 3.01 0.39 1.61 0.08 -0.34 0.27 117.98 123.01 2a55 s PHE 96 Ca 0.00 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 56.77 2a55 s PHE 96 Cb 0.00 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 2a55 s PHE 96 CO 0.00 -0.08 0.54 -0.59 -0.10 0.00 0.00 175.22 174.99 2a55 s PHE 97 N 0.45 2.93 0.10 0.36 -0.71 -0.47 -3.90 117.98 116.74 2a55 s PHE 97 Ca -0.04 -0.31 -0.26 0.00 -1.04 0.00 0.00 56.93 55.29 2a55 s PHE 97 Cb -0.14 -2.25 -0.06 0.00 -1.21 0.00 0.00 43.02 39.35 2a55 s PHE 97 CO 0.03 -0.28 0.79 -1.17 -1.34 0.00 0.00 175.22 173.25 2a55 s LEU 98 N -4.30 4.51 -0.35 -1.99 1.98 -1.26 -3.19 118.68 114.08 2a55 s LEU 98 Ca 0.51 1.56 0.05 0.00 -2.89 0.00 0.00 54.13 53.37 2a55 s LEU 98 Cb -0.10 -3.29 0.18 0.00 0.66 0.00 0.00 46.19 43.64 2a55 s LEU 98 CO 0.33 0.08 0.52 -0.63 -1.89 0.00 0.00 176.35 174.76 2a55 s ILE 99 N -0.48 -0.79 0.00 6.68 1.01 -0.92 -4.95 121.20 121.75 2a55 s ILE 99 Ca 0.38 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2a55 s ILE 99 Cb -0.22 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.67 2a55 s ILE 99 CO 0.25 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2a55 n GLY 100 N 4.83 0.00 2.21 6.18 0.00 -1.26 -0.83 105.19 116.33 2a55 n GLY 100 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 2a55 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 101 N 0.00 -3.65 0.00 1.61 7.64 -1.26 -4.52 113.62 113.44 2a55 n SER 101 Ca 0.00 1.20 0.03 0.00 1.01 0.00 0.00 58.87 61.12 2a55 n SER 101 Cb 0.00 -4.27 0.18 0.00 -1.01 0.00 0.00 64.21 59.10 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2a55 n THR 102 N 1.36 0.77 -4.42 0.44 -2.24 -1.26 -4.59 114.28 104.33 2a55 n THR 102 Ca -0.19 0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.52 2a55 n THR 102 Cb 0.30 -1.08 -0.10 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 -2.49 2.55 -0.18 4.28 -4.23 -1.26 -2.91 115.64 111.39 2a55 s THR 103 Ca 0.07 -2.16 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 2a55 s THR 103 Cb 0.05 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.69 2a55 s THR 103 CO 0.10 -0.25 0.33 -0.44 -0.54 0.00 0.00 174.62 173.81 2a55 s SER 104 N -3.11 0.30 -0.01 3.99 0.01 -1.11 -4.90 113.70 108.86 2a55 s SER 104 Ca 0.26 0.51 -0.04 0.00 1.31 0.00 0.00 55.95 57.99 2a55 s SER 104 Cb -0.07 0.93 -0.04 0.00 0.21 0.00 0.00 66.02 67.05 2a55 s SER 104 CO 0.13 -0.26 0.20 -0.13 0.41 0.00 0.00 173.24 173.59 2a55 s ARG 105 N 2.49 3.47 -0.32 12.44 1.81 -1.26 -0.34 118.95 137.24 2a55 s ARG 105 Ca 0.04 -0.25 -0.17 0.00 -1.72 0.00 0.00 55.73 53.63 2a55 s ARG 105 Cb -0.13 -3.10 -0.02 0.00 -0.45 0.00 0.00 34.95 31.25 2a55 s ARG 105 CO -0.12 0.68 0.44 0.00 -0.68 0.00 0.00 175.30 175.62 2a55 n GLU 107 N 5.53 1.11 -4.40 0.00 2.13 -0.55 -0.56 120.64 123.90 2a55 n GLU 107 Ca -0.07 -1.26 -0.24 0.00 0.66 0.00 0.00 57.16 56.25 2a55 n GLU 107 Cb 0.50 0.54 -0.11 0.00 0.27 0.00 0.00 31.44 32.64 2a55 n GLU 107 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2a55 s VAL 108 N -1.91 2.15 0.00 6.31 0.11 -1.24 0.22 120.40 126.03 2a55 s VAL 108 Ca 0.04 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.01 2a55 s VAL 108 Cb 0.00 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.79 2a55 s VAL 108 CO 0.03 -0.28 0.00 0.00 -3.33 0.00 0.00 175.10 171.52 2a55 n GLN 109 N 0.05 0.00 0.00 1.54 10.64 -1.26 -4.21 117.38 124.14 2a55 n GLN 109 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2a55 n GLN 109 Cb 0.57 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.95 2a55 n GLN 109 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2a55 n ASP 110 N 0.00 0.00 -2.22 2.61 8.00 -1.26 -4.81 116.55 118.88 2a55 n ASP 110 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 2a55 n ASP 110 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 2.16 0.00 -1.24 1.85 -1.26 -4.47 116.66 113.70 2a55 n ARG 111 Ca 0.00 -1.62 0.00 0.00 -1.00 0.00 0.00 57.85 55.23 2a55 n ARG 111 Cb 0.00 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.37 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2a55 n GLY 112 N 1.67 0.88 3.64 2.89 0.00 -1.26 -5.01 105.19 108.00 2a55 n GLY 112 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 2a55 n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a55 s VAL 113 N -2.23 0.00 0.06 1.61 0.11 -1.26 -4.69 120.40 113.99 2a55 s VAL 113 Ca 0.00 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2a55 s VAL 113 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2a55 s VAL 113 CO 0.00 0.00 -0.25 -0.83 -3.33 0.00 0.00 175.10 170.69 2a55 s GLY 114 N 0.52 1.47 -0.19 6.54 0.00 0.58 -4.01 107.32 112.23 2a55 s GLY 114 Ca -0.00 -1.28 -0.21 0.00 0.00 0.00 0.00 44.72 43.22 2a55 s GLY 114 CO -0.05 -1.18 0.65 0.86 0.00 0.00 0.00 173.10 173.37 2a55 s TRP 115 N -0.87 3.39 0.00 1.90 -0.00 -1.26 -1.49 118.94 120.62 2a55 s TRP 115 Ca 0.13 0.98 -0.25 0.00 -0.00 0.00 0.00 56.10 56.96 2a55 s TRP 115 Cb -0.10 -2.82 -0.14 0.00 -0.00 0.00 0.00 33.47 30.41 2a55 s TRP 115 CO 0.03 -0.16 1.04 1.03 -0.00 0.00 0.00 176.95 178.89 2a55 h SER 116 N 7.41 -0.70 -3.63 5.86 0.87 -1.87 -3.47 113.55 118.03 2a55 h SER 116 Ca -0.32 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.11 2a55 h SER 116 Cb 1.15 0.18 -0.26 0.00 -0.44 0.00 0.00 62.40 63.03 2a55 h SER 116 CO 0.78 -0.31 -0.31 -1.00 -0.53 0.00 0.00 176.83 175.46 2a55 s HIS 117 N -4.43 -0.45 0.00 2.24 3.76 -1.26 -5.02 115.29 110.13 2a55 s HIS 117 Ca -0.13 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 2a55 s HIS 117 Cb 0.01 0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.87 2a55 s HIS 117 CO 0.40 -0.24 0.00 -0.35 -0.85 0.00 0.00 174.74 173.71 2a55 n PRO 118 N 3.41 3.75 -1.69 8.40 -0.04 -1.26 -4.67 135.00 142.90 2a55 n PRO 118 Ca -0.17 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.74 2a55 n PRO 118 Cb 0.56 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 2.62 0.00 1.53 4.77 -1.26 -4.97 117.00 119.70 2a55 n LEU 119 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2a55 n LEU 119 Cb 0.00 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2a55 n LEU 119 CO 0.00 -0.35 0.00 -2.65 -1.33 0.00 0.00 177.39 173.06 2a55 n PRO 120 N 5.84 0.82 -3.90 3.23 -0.02 -1.26 -5.03 135.00 134.68 2a55 n PRO 120 Ca 0.26 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 2a55 n PRO 120 Cb 0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.51 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2a55 s GLN 121 N -0.27 3.10 -0.41 -0.52 0.74 -0.01 -4.96 119.66 117.33 2a55 s GLN 121 Ca 0.00 -0.81 -0.13 0.00 0.05 0.00 0.00 55.36 54.46 2a55 s GLN 121 Cb 0.00 -3.08 0.04 0.00 1.10 0.00 0.00 33.01 31.07 2a55 s GLN 121 CO 0.00 -0.33 0.29 0.00 -0.55 0.00 0.00 175.29 174.70 2a55 s GLU 123 N 1.61 1.14 0.59 0.00 2.56 -1.19 -4.91 118.70 118.51 2a55 s GLU 123 Ca 0.04 -0.98 -0.20 0.00 0.00 0.00 0.00 54.97 53.83 2a55 s GLU 123 Cb -0.21 -1.27 -0.03 0.00 2.00 0.00 0.00 34.13 34.62 2a55 s GLU 123 CO 0.08 0.31 1.30 1.51 -0.56 0.00 0.00 175.26 177.89 2a55 n ILE 124 N 1.55 4.31 0.04 -3.70 0.13 -1.26 -1.37 119.36 119.06 2a55 n ILE 124 Ca -0.19 -0.50 -0.13 0.00 -1.10 0.00 0.00 62.75 60.84 2a55 n ILE 124 Cb 0.54 -1.55 -0.09 0.00 -0.84 0.00 0.00 39.64 37.70 2a55 n ILE 124 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2a55 h LEU 125 N 0.97 -0.08 -9.71 9.51 3.38 -0.55 -3.45 115.31 115.37 2a55 h LEU 125 Ca -0.51 -0.32 -0.56 0.00 0.09 0.00 0.00 57.88 56.58 2a55 h LEU 125 Cb 1.32 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 42.00 2a55 h LEU 125 CO 0.55 0.29 -0.58 -1.83 0.09 0.00 0.00 178.44 176.96 2a55 s GLU 126 N -4.69 2.23 0.00 1.13 -1.05 -1.26 -5.03 118.70 110.02 2a55 s GLU 126 Ca -0.15 -1.64 0.00 0.00 -0.15 0.00 0.00 54.97 53.03 2a55 s GLU 126 Cb 0.03 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 2a55 s GLU 126 CO 0.64 0.13 0.00 -2.39 0.95 0.00 0.00 175.26 174.58 2a55 n HIS 127 N -1.05 0.00 0.27 4.83 1.44 -1.26 -4.83 115.22 114.62 2a55 n HIS 127 Ca -0.04 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.83 2a55 n HIS 127 Cb 0.62 0.01 0.74 0.00 0.12 0.00 0.00 29.99 31.48 2a55 n HIS 127 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 h HIS 128 N 0.00 0.00 -3.16 -1.40 3.86 -2.02 -3.42 115.15 109.01 2a55 h HIS 128 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 2a55 h HIS 128 Cb 0.33 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 2a55 h HIS 128 CO 0.00 0.08 -0.10 -1.58 0.86 0.00 0.00 177.93 177.19 2a55 s HIS 129 N -3.92 3.77 0.13 2.45 5.04 -1.26 -5.08 115.29 116.42 2a55 s HIS 129 Ca -0.01 1.16 0.03 0.00 -1.54 0.00 0.00 55.06 54.69 2a55 s HIS 129 Cb 0.11 -2.43 -0.04 0.00 0.04 0.00 0.00 32.58 30.27 2a55 s HIS 129 CO 0.55 0.59 0.23 -1.01 -2.34 0.00 0.00 174.74 172.76 2a55 s HIS 130 N -1.03 3.40 0.75 3.88 3.76 -1.26 -5.08 115.29 119.72 2a55 s HIS 130 Ca 0.27 0.11 -0.15 0.00 -0.15 0.00 0.00 55.06 55.14 2a55 s HIS 130 Cb -0.18 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 2a55 s HIS 130 CO 0.17 0.53 0.72 0.72 -0.85 0.00 0.00 174.74 176.03 2a55 n HIS 131 N -0.29 -0.19 -0.70 1.40 -0.00 -1.26 -5.23 115.22 108.96 2a55 n HIS 131 Ca -0.07 0.36 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2a55 n HIS 131 Cb 0.53 -1.98 0.00 0.00 -0.00 0.00 0.00 29.99 28.55 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92