#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 -0.51 0.00 6.12 0.02 -1.26 -4.26 114.94 115.05 2a55 s ASN 1 Ca 0.00 0.68 0.27 0.00 -1.02 0.00 0.00 52.86 52.79 2a55 s ASN 1 Cb 0.00 0.67 0.91 0.00 0.02 0.00 0.00 41.25 42.85 2a55 s ASN 1 CO 0.00 -0.44 1.66 0.00 0.02 0.00 0.00 177.10 178.34 2a55 n GLY 3 N 1.29 -0.51 3.59 0.00 0.00 -1.26 -4.04 105.19 104.26 2a55 n GLY 3 Ca 0.14 -1.52 -0.55 0.00 0.00 0.00 0.00 46.02 44.09 2a55 n GLY 3 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2a55 n PRO 4 N 0.06 0.83 -1.60 1.61 -0.02 -1.19 -4.80 135.00 129.90 2a55 n PRO 4 Ca 0.00 0.30 -0.45 0.00 -2.02 0.00 0.00 63.50 61.33 2a55 n PRO 4 Cb 0.00 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.70 1.39 -1.01 0.52 -0.02 -1.26 -4.99 135.00 132.34 2a55 n PRO 5 Ca 0.20 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 2a55 n PRO 5 Cb 0.15 -1.92 0.14 0.00 -0.02 0.00 0.00 33.50 31.85 2a55 n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2a55 n PRO 6 N 1.03 -1.33 -3.63 0.52 -0.02 -1.26 -5.05 135.00 125.26 2a55 n PRO 6 Ca 0.11 -1.22 -0.36 0.00 -2.02 0.00 0.00 63.50 60.00 2a55 n PRO 6 Cb 0.31 -0.92 -0.08 0.00 -0.02 0.00 0.00 33.50 32.79 2a55 n PRO 6 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2a55 s THR 7 N -2.63 5.36 0.08 3.45 2.01 -1.26 -5.09 115.64 117.56 2a55 s THR 7 Ca 0.46 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2a55 s THR 7 Cb -0.02 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.94 2a55 s THR 7 CO 0.33 0.41 0.02 0.18 -0.69 0.00 0.00 174.62 174.87 2a55 n LEU 8 N 3.60 0.00 0.11 4.42 4.32 -1.26 -5.10 117.00 123.09 2a55 n LEU 8 Ca -0.14 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.39 2a55 n LEU 8 Cb 0.52 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 2a55 n LEU 8 CO 0.38 -0.15 -0.00 -1.20 -1.22 0.00 0.00 177.39 175.20 2a55 n SER 9 N -1.37 0.35 0.17 -1.43 7.64 -1.26 -4.78 113.62 112.94 2a55 n SER 9 Ca -0.02 0.36 0.07 0.00 1.01 0.00 0.00 58.87 60.29 2a55 n SER 9 Cb 0.10 0.11 0.38 0.00 -1.01 0.00 0.00 64.21 63.79 2a55 n SER 9 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2a55 h PHE 10 N 0.00 0.00 -3.22 1.43 -5.15 -1.83 -3.41 116.94 104.75 2a55 h PHE 10 Ca 0.00 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.68 2a55 h PHE 10 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 35.95 36.00 2a55 h PHE 10 CO 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 178.31 176.11 2a55 s ALA 11 N -3.36 -0.79 0.28 12.09 0.00 -1.26 -0.68 121.76 128.04 2a55 s ALA 11 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.06 2a55 s ALA 11 Cb 0.04 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.44 2a55 s ALA 11 CO 0.13 -0.43 0.08 0.00 0.00 0.00 0.00 175.76 175.53 2a55 s ALA 12 N -2.57 1.94 0.53 0.00 0.00 -0.92 -4.51 121.76 116.24 2a55 s ALA 12 Ca -0.05 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.77 2a55 s ALA 12 Cb -0.01 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 2a55 s ALA 12 CO -0.03 -0.40 1.27 -1.25 0.00 0.00 0.00 175.76 175.35 2a55 s PRO 13 N -3.98 3.28 0.00 0.00 0.04 -1.26 -1.48 135.00 131.59 2a55 s PRO 13 Ca 0.37 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2a55 s PRO 13 Cb 0.08 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2a55 s PRO 13 CO 0.14 -1.01 0.00 -0.12 0.04 0.00 0.00 177.00 176.05 2a55 n MET 14 N -1.00 4.05 0.00 4.56 1.56 -1.07 -4.72 117.12 120.51 2a55 n MET 14 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 2a55 n MET 14 Cb 0.47 -0.39 0.00 0.00 2.15 0.00 0.00 33.22 35.45 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 -0.11 0.00 -2.56 6.12 2.03 -1.25 -5.04 116.55 115.74 2a55 n ASP 15 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 2a55 n ASP 15 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 -2.05 -1.59 5.18 3.06 -1.26 -4.58 119.36 118.12 2a55 n ILE 16 Ca 0.00 0.19 -0.55 0.00 -2.50 0.00 0.00 62.75 59.89 2a55 n ILE 16 Cb 0.00 -2.26 -0.07 0.00 0.54 0.00 0.00 39.64 37.85 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 0.43 0.27 0.09 9.51 -2.24 -1.26 -4.74 114.28 116.34 2a55 n THR 17 Ca -0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2a55 n THR 17 Cb 0.42 -1.37 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 7.16 3.21 -0.49 3.22 7.99 -1.26 -3.80 117.00 133.03 2a55 n LEU 18 Ca 0.33 -1.49 0.13 0.00 -0.01 0.00 0.00 56.01 54.97 2a55 n LEU 18 Cb 0.16 -0.64 0.49 0.00 -0.11 0.00 0.00 43.42 43.33 2a55 n LEU 18 CO 0.79 0.59 0.85 0.35 -1.51 0.00 0.00 177.39 178.46 2a55 n THR 19 N 1.22 0.06 -4.11 -5.08 -2.24 -1.26 -4.79 114.28 98.08 2a55 n THR 19 Ca 0.00 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.31 2a55 n THR 19 Cb 0.37 0.44 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 2a55 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a55 s GLU 20 N -1.94 0.80 0.06 -0.78 0.41 -1.25 -5.01 118.70 110.99 2a55 s GLU 20 Ca 0.37 -0.08 0.27 0.00 -0.41 0.00 0.00 54.97 55.12 2a55 s GLU 20 Cb 0.20 -0.85 0.89 0.00 -1.78 0.00 0.00 34.13 32.59 2a55 s GLU 20 CO 0.31 -0.11 1.72 2.41 -0.49 0.00 0.00 175.26 179.11 2a55 n THR 21 N 4.16 0.18 -4.38 3.63 -1.04 -1.26 -4.85 114.28 110.72 2a55 n THR 21 Ca -0.23 -0.10 -0.20 0.00 -2.04 0.00 0.00 64.05 61.48 2a55 n THR 21 Cb 0.51 -0.33 -0.10 0.00 -1.82 0.00 0.00 70.33 68.59 2a55 n THR 21 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2a55 s ARG 22 N -3.04 1.42 -0.31 -2.82 0.52 -1.26 -3.16 118.95 110.30 2a55 s ARG 22 Ca 0.12 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 53.71 2a55 s ARG 22 Cb 0.16 -1.33 0.14 0.00 0.52 0.00 0.00 34.95 34.45 2a55 s ARG 22 CO 0.60 0.24 0.33 -0.06 0.02 0.00 0.00 175.30 176.43 2a55 s PHE 23 N -2.73 -0.52 1.04 -0.53 0.40 -1.26 -5.04 117.98 109.34 2a55 s PHE 23 Ca 0.24 -0.23 -0.24 0.00 -0.60 0.00 0.00 56.93 56.10 2a55 s PHE 23 Cb -0.03 -0.40 -0.08 0.00 0.51 0.00 0.00 43.02 43.02 2a55 s PHE 23 CO 0.09 -0.94 -0.94 0.36 0.70 0.00 0.00 175.22 174.49 2a55 n LYS 24 N 5.10 -0.59 -0.74 0.44 2.85 -1.26 -3.99 118.16 119.96 2a55 n LYS 24 Ca 0.01 -0.17 -0.28 0.00 -1.05 0.00 0.00 58.31 56.82 2a55 n LYS 24 Cb 0.47 -1.27 0.23 0.00 -0.65 0.00 0.00 35.03 33.81 2a55 n LYS 24 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2a55 s THR 25 N -2.09 2.06 0.00 0.58 -4.23 -1.26 -2.73 115.64 107.96 2a55 s THR 25 Ca 0.44 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2a55 s THR 25 Cb 0.01 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2a55 s THR 25 CO 0.67 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 2a55 n GLY 26 N 0.20 1.66 3.71 3.99 0.00 -0.54 -4.82 105.19 109.39 2a55 n GLY 26 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.52 2.10 -0.16 2.61 -1.32 -1.11 -4.81 115.64 112.43 2a55 s THR 27 Ca 0.00 0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.46 2a55 s THR 27 Cb 0.00 -2.65 0.07 0.00 -1.51 0.00 0.00 72.50 68.41 2a55 s THR 27 CO 0.00 -0.02 0.35 -0.89 -2.21 0.00 0.00 174.62 171.85 2a55 s THR 28 N -1.90 -0.28 0.24 5.08 2.01 -1.25 -3.13 115.64 116.40 2a55 s THR 28 Ca 0.76 0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.98 2a55 s THR 28 Cb -0.31 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2a55 s THR 28 CO 0.46 0.07 0.24 -1.48 -0.69 0.00 0.00 174.62 173.22 2a55 s LEU 29 N 1.92 3.98 -0.20 4.42 2.34 -0.91 -4.95 118.68 125.29 2a55 s LEU 29 Ca -0.05 -0.13 -0.09 0.00 0.06 0.00 0.00 54.13 53.92 2a55 s LEU 29 Cb -0.10 -2.53 -0.05 0.00 -0.56 0.00 0.00 46.19 42.95 2a55 s LEU 29 CO -0.11 -0.03 0.10 -0.54 -1.06 0.00 0.00 176.35 174.71 2a55 s LYS 30 N -3.78 4.08 0.05 1.48 1.02 -1.26 -3.55 119.74 117.78 2a55 s LYS 30 Ca 0.33 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2a55 s LYS 30 Cb -0.09 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 2a55 s LYS 30 CO 0.26 0.26 -0.11 0.71 -0.92 0.00 0.00 175.35 175.56 2a55 s TYR 31 N 0.43 0.94 -0.23 3.18 1.51 -1.24 -2.61 117.35 119.33 2a55 s TYR 31 Ca 0.06 -0.43 -0.08 0.00 -1.01 0.00 0.00 57.07 55.61 2a55 s TYR 31 Cb -0.12 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 2a55 s TYR 31 CO -0.01 -0.01 0.10 -0.08 -1.11 0.00 0.00 175.55 174.45 2a55 s THR 32 N -1.14 4.79 -0.15 -0.71 -1.32 -0.55 -4.86 115.64 111.69 2a55 s THR 32 Ca -0.04 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.13 2a55 s THR 32 Cb -0.09 -3.22 -0.01 0.00 -1.51 0.00 0.00 72.50 67.67 2a55 s THR 32 CO 0.01 0.36 1.07 0.00 -2.21 0.00 0.00 174.62 173.85 2a55 n LEU 34 N 5.68 -5.25 0.04 0.00 4.77 0.14 -4.91 117.00 117.48 2a55 n LEU 34 Ca 0.11 0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 2a55 n LEU 34 Cb 0.47 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2a55 n LEU 34 CO 0.53 -5.66 0.47 -0.65 -1.33 0.00 0.00 177.39 170.74 2a55 h PRO 35 N -0.81 -0.11 -0.66 3.23 0.11 -1.94 -3.17 132.00 128.65 2a55 h PRO 35 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2a55 h PRO 35 Cb 1.33 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2a55 h PRO 35 CO 0.28 -0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.40 2a55 n GLY 36 N -0.83 0.87 3.51 -0.55 0.00 -1.26 -4.90 105.19 102.03 2a55 n GLY 36 Ca -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.49 2a55 n GLY 36 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2a55 n TYR 37 N 0.02 0.65 -3.36 1.61 4.11 -1.20 -4.62 117.16 114.36 2a55 n TYR 37 Ca 0.00 0.88 -0.19 0.00 -0.00 0.00 0.00 57.90 58.58 2a55 n TYR 37 Cb 0.16 -2.14 -0.00 0.00 -0.00 0.00 0.00 39.34 37.36 2a55 n TYR 37 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2a55 s VAL 38 N -0.31 3.94 -0.47 -3.48 1.01 -1.16 -4.80 120.40 115.13 2a55 s VAL 38 Ca 0.77 -0.94 -0.44 0.00 0.00 0.00 0.00 61.98 61.36 2a55 s VAL 38 Cb -1.01 -3.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.81 2a55 s VAL 38 CO 0.55 -0.15 1.53 0.54 0.00 0.00 0.00 175.10 177.56 2a55 n ARG 39 N -1.72 0.00 0.00 2.72 5.12 -1.26 -3.17 116.66 118.35 2a55 n ARG 39 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2a55 n ARG 39 Cb 0.58 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 2a55 n ARG 39 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2a55 n SER 40 N 3.88 0.00 -4.57 0.55 7.64 -1.26 -4.82 113.62 115.04 2a55 n SER 40 Ca 0.30 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 2a55 n SER 40 Cb -0.06 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 2a55 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a55 n HIS 41 N 0.00 0.66 -0.35 1.43 1.44 -1.08 -3.69 115.22 113.63 2a55 n HIS 41 Ca 0.00 0.54 0.00 0.00 -2.01 0.00 0.00 57.72 56.25 2a55 n HIS 41 Cb 0.00 -2.15 0.00 0.00 0.12 0.00 0.00 29.99 27.96 2a55 n HIS 41 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2a55 n SER 42 N 0.48 0.00 -0.34 4.39 2.88 -1.26 -4.69 113.62 115.08 2a55 n SER 42 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2a55 n SER 42 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2a55 n THR 43 N 0.00 0.00 -2.20 2.46 -1.04 -1.26 -4.98 114.28 107.25 2a55 n THR 43 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2a55 n THR 43 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2a55 n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2a55 n GLN 44 N 0.00 0.13 -3.77 -2.82 7.27 -1.26 -4.31 117.38 112.62 2a55 n GLN 44 Ca 0.00 -0.16 -0.13 0.00 0.07 0.00 0.00 57.00 56.78 2a55 n GLN 44 Cb 0.00 0.21 -0.09 0.00 2.41 0.00 0.00 30.24 32.77 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2a55 s THR 45 N 0.01 0.05 -0.18 1.69 -4.23 -1.26 -3.73 115.64 108.00 2a55 s THR 45 Ca 0.01 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.05 2a55 s THR 45 Cb 0.04 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.30 2a55 s THR 45 CO -0.01 -0.24 -0.07 -0.76 -0.54 0.00 0.00 174.62 172.99 2a55 s LEU 46 N -1.15 2.88 0.08 4.79 1.02 -1.23 -4.78 118.68 120.28 2a55 s LEU 46 Ca -0.12 -0.34 0.09 0.00 0.02 0.00 0.00 54.13 53.78 2a55 s LEU 46 Cb -0.05 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 2a55 s LEU 46 CO 0.03 0.07 -0.24 -0.89 0.02 0.00 0.00 176.35 175.35 2a55 s THR 47 N 0.95 1.93 -0.27 5.49 2.01 -1.23 -2.14 115.64 122.38 2a55 s THR 47 Ca -0.01 -1.45 -0.23 0.00 0.31 0.00 0.00 61.69 60.31 2a55 s THR 47 Cb -0.15 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 2a55 s THR 47 CO 0.00 0.16 0.75 0.00 -0.69 0.00 0.00 174.62 174.83 2a55 n ASN 49 N 5.98 2.01 -3.60 0.00 0.23 -1.24 -1.47 115.26 117.18 2a55 n ASN 49 Ca 0.03 -2.46 -0.41 0.00 -0.53 0.00 0.00 54.58 51.21 2a55 n ASN 49 Cb 0.48 -0.39 -0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 -2.35 6.90 0.00 0.53 2.88 -1.26 -3.55 113.62 116.77 2a55 n SER 50 Ca 0.15 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2a55 n SER 50 Cb 0.57 -1.44 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 -0.67 -1.23 0.00 0.00 175.04 173.14 2a55 n ASP 51 N 2.94 0.00 -1.20 -3.46 -0.08 -1.26 -4.99 116.55 108.51 2a55 n ASP 51 Ca 0.56 -1.00 -0.16 0.00 -1.51 0.00 0.00 54.79 52.69 2a55 n ASP 51 Cb 0.29 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.68 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a55 n GLY 52 N 0.00 1.48 3.34 0.27 0.00 -1.23 -4.94 105.19 104.11 2a55 n GLY 52 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.32 1.35 -0.39 1.61 -1.05 -1.26 -4.28 118.70 111.36 2a55 s GLU 53 Ca 0.00 -1.69 -0.20 0.00 -0.15 0.00 0.00 54.97 52.93 2a55 s GLU 53 Cb 0.00 -0.63 0.01 0.00 -0.44 0.00 0.00 34.13 33.07 2a55 s GLU 53 CO 0.00 -0.10 0.60 -1.58 0.95 0.00 0.00 175.26 175.13 2a55 s TRP 54 N -3.41 3.12 -0.03 4.83 0.52 -1.26 -3.58 118.94 119.12 2a55 s TRP 54 Ca 0.29 0.08 -0.08 0.00 0.02 0.00 0.00 56.10 56.42 2a55 s TRP 54 Cb 0.06 -3.17 -0.05 0.00 -1.15 0.00 0.00 33.47 29.17 2a55 s TRP 54 CO 0.09 -0.72 0.24 0.08 0.02 0.00 0.00 176.95 176.67 2a55 s VAL 55 N 2.65 5.33 0.00 4.03 1.01 -1.17 -4.88 120.40 127.37 2a55 s VAL 55 Ca 0.21 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2a55 s VAL 55 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2a55 s VAL 55 CO 0.16 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.73 2a55 n TYR 56 N 1.47 0.00 -1.56 5.22 0.18 -1.26 -3.53 117.16 117.68 2a55 n TYR 56 Ca -0.14 0.00 0.16 0.00 1.88 0.00 0.00 57.90 59.80 2a55 n TYR 56 Cb 0.53 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.45 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2a55 n ASN 57 N 0.00 -7.53 -4.28 9.48 5.03 -1.26 -4.41 115.26 112.29 2a55 n ASN 57 Ca 0.00 1.28 -0.44 0.00 0.87 0.00 0.00 54.58 56.29 2a55 n ASN 57 Cb 0.00 -3.66 -0.03 0.00 -1.02 0.00 0.00 39.78 35.07 2a55 n ASN 57 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2a55 s THR 58 N -1.93 5.33 0.00 3.41 2.01 -1.26 -5.02 115.64 118.18 2a55 s THR 58 Ca 0.00 -2.83 0.00 0.00 0.31 0.00 0.00 61.69 59.17 2a55 s THR 58 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.22 2a55 s THR 58 CO 0.00 -1.04 0.00 2.22 -0.69 0.00 0.00 174.62 175.11 2a55 n PHE 59 N 3.54 0.00 -1.06 4.92 1.16 -1.24 -4.48 117.46 120.30 2a55 n PHE 59 Ca 0.15 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.38 2a55 n PHE 59 Cb 0.43 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.37 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 -2.63 0.00 0.00 0.00 -5.35 -1.19 -4.68 119.36 105.51 2a55 n ILE 61 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2a55 n ILE 61 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N 0.00 0.00 -3.27 4.28 4.19 -1.26 -2.97 117.16 118.12 2a55 n TYR 62 Ca 0.00 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.24 2a55 n TYR 62 Cb 0.00 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 39.81 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 0.00 0.50 0.00 2.98 -2.85 -1.26 -4.87 119.74 114.24 2a55 s LYS 63 Ca 0.00 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 55.96 2a55 s LYS 63 Cb 0.00 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 2a55 s LYS 63 CO 0.00 -0.43 0.00 2.89 0.10 0.00 0.00 175.35 177.91 2a55 n ARG 64 N 5.41 2.95 -4.29 1.78 0.00 -1.26 -1.99 116.66 119.26 2a55 n ARG 64 Ca -0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.64 2a55 n ARG 64 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.87 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 -3.73 3.30 0.05 0.00 6.06 -1.26 -4.84 118.95 118.53 2a55 s ARG 66 Ca 0.20 2.23 -0.31 0.00 -2.50 0.00 0.00 55.73 55.36 2a55 s ARG 66 Cb 0.02 -2.35 -0.08 0.00 0.06 0.00 0.00 34.95 32.60 2a55 s ARG 66 CO 0.03 -1.06 1.61 -1.01 -2.50 0.00 0.00 175.30 172.37 2a55 s HIS 67 N -1.30 2.49 -0.22 5.12 3.76 -1.26 -4.85 115.29 119.03 2a55 s HIS 67 Ca 0.69 0.41 0.20 0.00 -0.15 0.00 0.00 55.06 56.21 2a55 s HIS 67 Cb -0.40 -3.91 1.11 0.00 1.11 0.00 0.00 32.58 30.49 2a55 s HIS 67 CO 0.48 -3.60 1.62 -0.35 -0.85 0.00 0.00 174.74 172.04 2a55 n PRO 68 N 5.58 0.13 0.00 8.40 -0.04 -1.26 -4.94 135.00 142.88 2a55 n PRO 68 Ca 0.15 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2a55 n PRO 68 Cb 0.41 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 2a55 n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a55 n GLY 69 N -1.31 -0.75 2.71 0.55 0.00 -1.26 -4.70 105.19 100.42 2a55 n GLY 69 Ca -0.01 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 2a55 n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a55 n GLU 70 N -0.33 0.00 -3.33 1.61 4.07 -1.26 -4.78 120.64 116.62 2a55 n GLU 70 Ca 0.00 0.00 -0.45 0.00 -0.06 0.00 0.00 57.16 56.65 2a55 n GLU 70 Cb 0.00 -0.81 -0.06 0.00 -0.06 0.00 0.00 31.44 30.51 2a55 n GLU 70 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2a55 s LEU 71 N 2.31 5.90 0.10 4.31 2.96 -1.26 -4.91 118.68 128.08 2a55 s LEU 71 Ca 0.52 -1.56 -0.31 0.00 -0.22 0.00 0.00 54.13 52.56 2a55 s LEU 71 Cb -0.75 -2.21 -0.10 0.00 0.50 0.00 0.00 46.19 43.64 2a55 s LEU 71 CO 0.45 -0.78 1.78 -0.60 -1.32 0.00 0.00 176.35 175.88 2a55 s ARG 72 N 1.68 4.15 -0.09 1.98 3.52 -1.26 -0.14 118.95 128.80 2a55 s ARG 72 Ca 0.04 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2a55 s ARG 72 Cb -0.27 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 2a55 s ARG 72 CO 0.05 -0.82 0.00 0.09 -0.81 0.00 0.00 175.30 173.81 2a55 n ASN 73 N 5.78 -3.12 -0.27 -2.12 5.03 -1.26 -4.65 115.26 114.65 2a55 n ASN 73 Ca 0.17 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.64 2a55 n ASN 73 Cb 0.39 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a55 n GLY 74 N -2.87 3.17 2.58 7.41 0.00 0.80 -0.22 105.19 116.06 2a55 n GLY 74 Ca -0.01 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2a55 n GLY 74 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2a55 s GLN 75 N 0.18 0.88 -0.29 1.61 -2.07 -0.99 -4.60 119.66 114.38 2a55 s GLN 75 Ca 0.00 -1.52 -0.42 0.00 -1.82 0.00 0.00 55.36 51.60 2a55 s GLN 75 Cb 0.00 -0.88 -0.17 0.00 -1.09 0.00 0.00 33.01 30.87 2a55 s GLN 75 CO 0.00 -1.33 1.64 1.55 -1.32 0.00 0.00 175.29 175.84 2a55 n VAL 76 N 3.22 0.19 -2.40 3.63 3.14 -1.26 -4.04 118.33 120.81 2a55 n VAL 76 Ca 0.22 -0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 61.14 2a55 n VAL 76 Cb 0.49 -0.95 -0.02 0.00 -1.06 0.00 0.00 33.84 32.30 2a55 n VAL 76 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2a55 s GLU 77 N 2.98 4.20 -0.33 1.45 2.56 0.81 -4.96 118.70 125.41 2a55 s GLU 77 Ca 0.98 1.66 0.03 0.00 0.00 0.00 0.00 54.97 57.65 2a55 s GLU 77 Cb -1.18 -3.79 0.10 0.00 2.00 0.00 0.00 34.13 31.26 2a55 s GLU 77 CO 0.68 -0.75 0.04 0.42 -0.56 0.00 0.00 175.26 175.09 2a55 s ILE 78 N 3.61 2.05 -0.01 -3.70 -1.09 -1.26 -3.93 121.20 116.86 2a55 s ILE 78 Ca 0.56 -2.13 0.02 0.00 -2.23 0.00 0.00 60.65 56.87 2a55 s ILE 78 Cb -0.22 -2.49 0.03 0.00 -1.58 0.00 0.00 42.46 38.20 2a55 s ILE 78 CO 0.16 -0.55 0.80 2.29 -1.23 0.00 0.00 174.94 176.41 2a55 n LYS 79 N 4.36 1.09 -0.15 2.79 0.00 -1.26 -4.73 118.16 120.25 2a55 n LYS 79 Ca 0.01 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.21 2a55 n LYS 79 Cb 0.42 -0.77 0.00 0.00 -0.00 0.00 0.00 35.03 34.68 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 -0.31 0.00 -0.95 0.58 -2.24 -1.26 -4.97 114.28 105.13 2a55 n THR 80 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2a55 n THR 80 Cb 0.46 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -5.32 -2.50 3.42 9.92 -1.26 -1.80 116.55 119.01 2a55 n ASP 81 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 2a55 n ASP 81 Cb 0.54 -3.35 0.05 0.00 -0.64 0.00 0.00 41.12 37.72 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 -3.63 -4.72 0.64 4.32 -1.26 -4.41 117.00 107.94 2a55 n LEU 82 Ca 0.00 -0.40 -0.40 0.00 -0.02 0.00 0.00 56.01 55.19 2a55 n LEU 82 Cb 0.44 -2.10 -0.04 0.00 -1.62 0.00 0.00 43.42 40.09 2a55 n LEU 82 CO 0.00 0.16 0.45 -0.94 -1.22 0.00 0.00 177.39 175.84 2a55 s SER 83 N -3.57 7.07 0.32 -1.43 1.04 -0.74 -0.48 113.70 115.90 2a55 s SER 83 Ca 0.12 1.29 -0.24 0.00 0.48 0.00 0.00 55.95 57.59 2a55 s SER 83 Cb -0.02 -2.44 -0.16 0.00 0.10 0.00 0.00 66.02 63.50 2a55 s SER 83 CO 0.44 -0.14 0.31 0.33 0.98 0.00 0.00 173.24 175.16 2a55 n PHE 84 N 3.76 -1.29 -2.15 5.02 -0.00 -0.84 -3.49 117.46 118.48 2a55 n PHE 84 Ca 0.00 0.77 -0.00 0.00 -0.00 0.00 0.00 57.45 58.22 2a55 n PHE 84 Cb 0.51 -1.87 0.00 0.00 -0.00 0.00 0.00 39.48 38.12 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2a55 n GLY 85 N 2.15 0.58 0.00 7.13 0.00 -1.07 -4.62 105.19 109.36 2a55 n GLY 85 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2a55 n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a55 n SER 86 N -0.30 3.39 0.00 1.61 7.64 -1.23 -5.01 113.62 119.72 2a55 n SER 86 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a55 n SER 86 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2a55 n SER 86 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2a55 n GLN 87 N 0.00 0.00 -3.97 1.43 0.00 -1.25 -4.06 117.38 109.54 2a55 n GLN 87 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.70 2a55 n GLN 87 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.08 2a55 n GLN 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2a55 s ILE 88 N -1.80 1.53 1.06 1.69 -4.36 -0.53 -4.90 121.20 113.89 2a55 s ILE 88 Ca 0.00 -1.01 -0.18 0.00 -0.26 0.00 0.00 60.65 59.21 2a55 s ILE 88 Cb 0.00 -1.67 0.27 0.00 1.25 0.00 0.00 42.46 42.31 2a55 s ILE 88 CO 0.00 0.09 0.80 -0.62 0.24 0.00 0.00 174.94 175.46 2a55 n GLU 89 N 4.71 -3.35 -4.06 0.37 1.02 -1.25 -3.54 120.64 114.54 2a55 n GLU 89 Ca -0.14 -1.31 -0.16 0.00 -0.02 0.00 0.00 57.16 55.54 2a55 n GLU 89 Cb 0.46 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 2a55 n GLU 89 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2a55 n PHE 90 N -4.74 -1.38 -3.23 -0.32 3.72 -1.22 -0.14 117.46 110.15 2a55 n PHE 90 Ca 0.12 -2.46 0.03 0.00 -0.05 0.00 0.00 57.45 55.09 2a55 n PHE 90 Cb 0.47 0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 39.53 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 -3.23 -1.30 -0.09 4.37 0.01 -1.26 -4.85 113.70 107.36 2a55 s SER 91 Ca 0.31 0.96 -0.27 0.00 1.31 0.00 0.00 55.95 58.26 2a55 s SER 91 Cb -0.01 2.15 -0.02 0.00 0.21 0.00 0.00 66.02 68.35 2a55 s SER 91 CO 0.22 -0.24 0.88 0.00 0.41 0.00 0.00 173.24 174.51 2a55 n SER 93 N 4.50 -2.85 0.00 0.00 7.64 0.69 -4.63 113.62 118.96 2a55 n SER 93 Ca 0.05 -0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.61 2a55 n SER 93 Cb 0.50 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2a55 n SER 93 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2a55 n GLU 94 N -1.06 0.00 0.00 1.43 4.07 -1.26 -2.13 120.64 121.69 2a55 n GLU 94 Ca 0.05 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 2a55 n GLU 94 Cb 0.30 -1.07 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a55 n GLY 95 N -0.94 0.49 3.70 8.31 0.00 -1.26 -4.71 105.19 110.78 2a55 n GLY 95 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 0.21 0.25 1.61 0.08 -0.91 -2.53 117.98 116.25 2a55 s PHE 96 Ca 0.00 -0.64 0.01 0.00 0.12 0.00 0.00 56.93 56.42 2a55 s PHE 96 Cb 0.00 0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 42.84 2a55 s PHE 96 CO 0.00 -1.18 0.13 -0.59 -0.10 0.00 0.00 175.22 173.48 2a55 s PHE 97 N -3.61 1.42 0.11 0.36 -0.71 -0.98 -4.42 117.98 110.14 2a55 s PHE 97 Ca 0.18 -1.31 -0.20 0.00 -1.04 0.00 0.00 56.93 54.56 2a55 s PHE 97 Cb -0.03 -0.76 -0.07 0.00 -1.21 0.00 0.00 43.02 40.95 2a55 s PHE 97 CO 0.10 -0.51 0.62 -1.17 -1.34 0.00 0.00 175.22 172.93 2a55 s LEU 98 N -3.27 4.52 -0.28 -1.99 0.20 -1.26 -3.49 118.68 113.11 2a55 s LEU 98 Ca 0.38 1.35 0.02 0.00 0.69 0.00 0.00 54.13 56.56 2a55 s LEU 98 Cb 0.07 -3.04 0.17 0.00 -0.43 0.00 0.00 46.19 42.95 2a55 s LEU 98 CO 0.14 0.24 0.47 -0.63 -0.29 0.00 0.00 176.35 176.29 2a55 s ILE 99 N -1.16 -0.77 0.00 6.68 1.01 -0.99 -4.96 121.20 121.02 2a55 s ILE 99 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2a55 s ILE 99 Cb -0.20 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.31 2a55 s ILE 99 CO 0.21 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2a55 n GLY 100 N 5.38 0.09 0.00 6.18 0.00 -1.26 -1.51 105.19 114.07 2a55 n GLY 100 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2a55 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a55 n SER 101 N 0.00 0.00 0.13 1.61 2.88 -1.26 -5.02 113.62 111.96 2a55 n SER 101 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 2a55 n SER 101 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.94 2a55 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2a55 n THR 102 N 0.00 1.12 -4.37 2.46 -2.24 -1.26 -4.57 114.28 105.42 2a55 n THR 102 Ca 0.00 0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 62.11 2a55 n THR 102 Cb 0.00 -1.57 -0.10 0.00 -2.10 0.00 0.00 70.33 66.56 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 -3.41 2.81 -0.15 4.28 -4.23 -1.26 -3.37 115.64 110.31 2a55 s THR 103 Ca -0.00 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2a55 s THR 103 Cb 0.06 -2.41 0.08 0.00 1.34 0.00 0.00 72.50 71.57 2a55 s THR 103 CO 0.21 -0.20 0.24 -0.44 -0.54 0.00 0.00 174.62 173.90 2a55 s SER 104 N -3.00 0.72 0.00 3.99 0.01 -1.23 -4.95 113.70 109.25 2a55 s SER 104 Ca 0.25 0.28 -0.15 0.00 1.31 0.00 0.00 55.95 57.64 2a55 s SER 104 Cb -0.08 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.66 2a55 s SER 104 CO 0.14 -0.27 0.42 -0.13 0.41 0.00 0.00 173.24 173.80 2a55 s ARG 105 N 2.38 3.93 -0.40 12.44 0.52 -1.26 -1.45 118.95 135.12 2a55 s ARG 105 Ca 0.04 0.43 -0.24 0.00 -0.52 0.00 0.00 55.73 55.44 2a55 s ARG 105 Cb -0.13 -3.22 0.02 0.00 0.52 0.00 0.00 34.95 32.13 2a55 s ARG 105 CO -0.10 0.69 0.83 0.00 0.02 0.00 0.00 175.30 176.74 2a55 s GLU 107 N 3.31 1.89 -0.07 0.00 2.12 -1.25 -2.59 118.70 122.11 2a55 s GLU 107 Ca 0.33 -2.03 -0.08 0.00 0.36 0.00 0.00 54.97 53.55 2a55 s GLU 107 Cb -0.12 -1.64 0.02 0.00 0.26 0.00 0.00 34.13 32.65 2a55 s GLU 107 CO 0.20 0.03 0.22 0.54 -0.54 0.00 0.00 175.26 175.70 2a55 s VAL 108 N -2.69 0.01 -0.11 3.70 0.11 -1.25 0.17 120.40 120.34 2a55 s VAL 108 Ca 0.34 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 2a55 s VAL 108 Cb 0.07 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 2a55 s VAL 108 CO 0.17 -0.06 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.65 2a55 s GLN 109 N -0.16 3.16 3.17 1.54 -0.21 -1.15 -4.74 119.66 121.27 2a55 s GLN 109 Ca -0.03 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.67 2a55 s GLN 109 Cb -0.03 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.41 2a55 s GLN 109 CO 0.01 0.32 0.00 -0.25 -2.12 0.00 0.00 175.29 173.25 2a55 n ASP 110 N 3.20 0.00 0.00 5.90 8.00 -1.26 -1.86 116.55 130.53 2a55 n ASP 110 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2a55 n ASP 110 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.00 -3.97 -1.24 1.85 -1.26 -5.04 116.66 107.01 2a55 n ARG 111 Ca 0.00 -0.09 -0.34 0.00 -1.00 0.00 0.00 57.85 56.41 2a55 n ARG 111 Cb 0.00 -0.47 -0.14 0.00 -1.05 0.00 0.00 32.46 30.80 2a55 n ARG 111 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2a55 s GLY 112 N 0.00 1.63 0.11 2.89 0.00 -0.78 -5.07 107.32 106.10 2a55 s GLY 112 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 44.72 42.88 2a55 s GLY 112 CO 0.00 0.53 1.14 -0.62 0.00 0.00 0.00 173.10 174.15 2a55 n VAL 113 N 4.65 0.51 -3.71 1.40 0.31 -1.26 -2.96 118.33 117.27 2a55 n VAL 113 Ca -0.16 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 2a55 n VAL 113 Cb 0.47 -0.56 -0.14 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.06 1.40 1.00 2.92 0.00 0.45 -4.78 107.32 108.37 2a55 s GLY 114 Ca 0.80 -2.19 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 2a55 s GLY 114 CO 0.52 1.58 -0.48 0.79 0.00 0.00 0.00 173.10 175.52 2a55 n TRP 115 N 4.10 -2.86 -0.01 1.90 7.02 -1.22 -3.91 117.44 122.46 2a55 n TRP 115 Ca 0.05 0.20 -0.01 0.00 -1.02 0.00 0.00 57.50 56.71 2a55 n TRP 115 Cb 0.38 -1.54 -0.02 0.00 -2.42 0.00 0.00 31.31 27.71 2a55 n TRP 115 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2a55 n SER 116 N 1.33 4.39 -3.65 -0.99 3.41 -1.26 -4.86 113.62 111.99 2a55 n SER 116 Ca 0.01 -0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.54 2a55 n SER 116 Cb 0.60 0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.94 2a55 n SER 116 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2a55 s HIS 117 N -2.05 -0.98 0.00 7.33 5.65 -1.26 -5.12 115.29 118.86 2a55 s HIS 117 Ca -0.01 1.99 0.00 0.00 0.25 0.00 0.00 55.06 57.29 2a55 s HIS 117 Cb 0.01 0.55 0.00 0.00 -1.18 0.00 0.00 32.58 31.96 2a55 s HIS 117 CO 0.08 -0.49 0.00 -0.35 -0.65 0.00 0.00 174.74 173.33 2a55 n PRO 118 N 4.17 3.64 -1.72 2.88 -0.04 -1.26 -4.83 135.00 137.84 2a55 n PRO 118 Ca -0.20 0.00 -0.60 0.00 -0.04 0.00 0.00 63.50 62.66 2a55 n PRO 118 Cb 0.58 0.00 -0.08 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 2.14 0.00 1.53 7.99 -1.26 -4.96 117.00 122.44 2a55 n LEU 119 Ca 0.00 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.10 2a55 n LEU 119 Cb 0.00 -1.09 0.00 0.00 -0.11 0.00 0.00 43.42 42.22 2a55 n LEU 119 CO 0.00 -0.52 0.00 -2.65 -1.51 0.00 0.00 177.39 172.71 2a55 n PRO 120 N 5.08 -0.46 -3.78 3.23 -0.02 -1.26 -5.00 135.00 132.79 2a55 n PRO 120 Ca 0.27 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 2a55 n PRO 120 Cb 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.45 2a55 n PRO 120 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a55 s GLN 121 N -1.67 3.72 -0.36 -0.52 -0.21 -0.57 -4.96 119.66 115.09 2a55 s GLN 121 Ca 0.00 -0.45 -0.13 0.00 0.02 0.00 0.00 55.36 54.80 2a55 s GLN 121 Cb 0.00 -3.34 -0.00 0.00 1.00 0.00 0.00 33.01 30.66 2a55 s GLN 121 CO 0.00 -0.13 0.25 0.00 -2.12 0.00 0.00 175.29 173.29 2a55 s GLU 123 N 1.70 1.28 0.42 0.00 2.12 -1.23 -4.96 118.70 118.02 2a55 s GLU 123 Ca 0.06 -0.68 -0.26 0.00 0.36 0.00 0.00 54.97 54.45 2a55 s GLU 123 Cb -0.18 -1.27 -0.09 0.00 0.26 0.00 0.00 34.13 32.85 2a55 s GLU 123 CO 0.10 0.34 1.35 -1.50 -0.54 0.00 0.00 175.26 175.01 2a55 s ILE 124 N -0.54 2.42 0.30 -3.70 2.07 -1.25 -2.31 121.20 118.19 2a55 s ILE 124 Ca 0.06 0.37 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 2a55 s ILE 124 Cb -0.07 -3.22 0.19 0.00 0.13 0.00 0.00 42.46 39.49 2a55 s ILE 124 CO 0.00 0.06 1.89 -0.07 -1.91 0.00 0.00 174.94 174.91 2a55 h LEU 125 N 2.58 0.75-10.19 8.50 3.38 -1.82 -3.44 115.31 115.07 2a55 h LEU 125 Ca -0.50 -0.09 -0.41 0.00 0.09 0.00 0.00 57.88 56.97 2a55 h LEU 125 Cb 1.25 -0.19 0.20 0.00 0.09 0.00 0.00 40.66 42.01 2a55 h LEU 125 CO 0.62 0.68 0.00 -1.61 0.09 0.00 0.00 178.44 178.22 2a55 s GLU 126 N -5.38 -1.79 0.01 1.13 0.41 -1.26 -4.94 118.70 106.88 2a55 s GLU 126 Ca -0.10 0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.41 2a55 s GLU 126 Cb 0.16 -1.50 -0.05 0.00 -1.78 0.00 0.00 34.13 30.96 2a55 s GLU 126 CO 0.79 -4.16 1.23 -1.01 -0.49 0.00 0.00 175.26 171.62 2a55 s HIS 127 N -2.58 3.26 -0.28 1.61 3.76 -1.26 -5.01 115.29 114.79 2a55 s HIS 127 Ca 0.69 1.19 -0.18 0.00 -0.15 0.00 0.00 55.06 56.61 2a55 s HIS 127 Cb -0.15 -3.46 0.10 0.00 1.11 0.00 0.00 32.58 30.18 2a55 s HIS 127 CO 0.59 -1.48 0.79 -1.58 -0.85 0.00 0.00 174.74 172.22 2a55 s HIS 128 N 1.69 -0.85 0.12 1.40 5.04 -1.26 -5.12 115.29 116.31 2a55 s HIS 128 Ca 0.58 1.78 -0.25 0.00 -1.54 0.00 0.00 55.06 55.63 2a55 s HIS 128 Cb -0.28 0.48 0.07 0.00 0.04 0.00 0.00 32.58 32.89 2a55 s HIS 128 CO 0.26 -0.42 0.80 -3.38 -2.34 0.00 0.00 174.74 169.67 2a55 s HIS 129 N 1.21 -0.32 -0.14 3.88 -3.43 -1.26 -5.06 115.29 110.18 2a55 s HIS 129 Ca -0.07 0.07 -0.11 0.00 -0.80 0.00 0.00 55.06 54.15 2a55 s HIS 129 Cb -0.05 0.60 0.04 0.00 -1.43 0.00 0.00 32.58 31.74 2a55 s HIS 129 CO -0.14 -0.80 0.35 -1.58 -2.00 0.00 0.00 174.74 170.57 2a55 s HIS 130 N -3.45 -0.41 1.10 0.38 2.46 -1.26 -5.16 115.29 108.95 2a55 s HIS 130 Ca 0.07 0.98 -0.12 0.00 0.47 0.00 0.00 55.06 56.45 2a55 s HIS 130 Cb -0.02 0.14 0.25 0.00 -0.13 0.00 0.00 32.58 32.83 2a55 s HIS 130 CO -0.05 -0.21 1.05 -3.38 -2.47 0.00 0.00 174.74 169.68 2a55 s HIS 131 N 0.44 1.49 -2.24 3.88 -3.43 -1.26 -5.39 115.29 108.78 2a55 s HIS 131 Ca -0.02 1.26 0.30 0.00 -0.80 0.00 0.00 55.06 55.80 2a55 s HIS 131 Cb -0.04 -3.15 1.50 0.00 -1.43 0.00 0.00 32.58 29.46 2a55 s HIS 131 CO -0.02 -3.58 2.00 0.72 -2.00 0.00 0.00 174.74 171.85