#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 s ASN 1 N 0.00 6.44 0.49 7.83 -0.87 -1.26 -3.11 114.94 124.47 2a55 s ASN 1 Ca 0.00 1.19 0.08 0.00 -1.57 0.00 0.00 52.86 52.56 2a55 s ASN 1 Cb 0.00 -2.35 0.03 0.00 -0.02 0.00 0.00 41.25 38.91 2a55 s ASN 1 CO 0.00 -0.52 0.55 0.00 -2.57 0.00 0.00 177.10 174.55 2a55 s GLY 3 N -4.37 1.62 0.03 0.00 0.00 -1.26 -4.07 107.32 99.28 2a55 s GLY 3 Ca 0.51 -0.40 -0.37 0.00 0.00 0.00 0.00 44.72 44.45 2a55 s GLY 3 CO 0.31 -0.01 1.41 -1.05 0.00 0.00 0.00 173.10 173.76 2a55 n PRO 4 N -3.08 1.18 -1.61 2.90 -0.02 -1.22 -4.82 135.00 128.33 2a55 n PRO 4 Ca 0.07 0.42 -0.53 0.00 -2.02 0.00 0.00 63.50 61.44 2a55 n PRO 4 Cb 0.58 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.99 1.10 -0.58 0.52 -0.02 -1.26 -4.97 135.00 132.79 2a55 n PRO 5 Ca 0.20 0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 61.92 2a55 n PRO 5 Cb 0.18 -2.04 0.13 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.98 -2.09 -3.54 0.52 -0.04 -1.26 -5.03 135.00 126.54 2a55 n PRO 6 Ca 0.20 -0.94 -0.36 0.00 -0.04 0.00 0.00 63.50 62.35 2a55 n PRO 6 Cb 0.18 -0.87 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 2a55 n PRO 6 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a55 s THR 7 N -2.08 5.30 -0.33 0.52 -1.32 -1.26 -5.06 115.64 111.41 2a55 s THR 7 Ca 0.38 0.55 -0.07 0.00 -1.21 0.00 0.00 61.69 61.34 2a55 s THR 7 Cb -0.04 -3.63 0.03 0.00 -1.51 0.00 0.00 72.50 67.36 2a55 s THR 7 CO 0.29 0.40 0.10 -0.76 -2.21 0.00 0.00 174.62 172.44 2a55 s LEU 8 N 0.40 4.24 0.00 9.08 1.02 -1.25 -4.93 118.68 127.23 2a55 s LEU 8 Ca 0.17 -1.06 0.12 0.00 0.02 0.00 0.00 54.13 53.38 2a55 s LEU 8 Cb -0.13 -1.87 0.67 0.00 0.02 0.00 0.00 46.19 44.87 2a55 s LEU 8 CO 0.04 -0.30 1.27 -1.20 0.02 0.00 0.00 176.35 176.17 2a55 n SER 9 N 4.82 0.00 -0.33 2.29 7.64 -1.26 -1.08 113.62 125.70 2a55 n SER 9 Ca -0.13 -0.05 0.05 0.00 1.01 0.00 0.00 58.87 59.75 2a55 n SER 9 Cb 0.45 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.48 2a55 n SER 9 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2a55 n PHE 10 N -1.19 0.00 -3.58 1.43 -1.74 -1.26 -4.97 117.46 106.14 2a55 n PHE 10 Ca 0.07 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.83 2a55 n PHE 10 Cb 0.08 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.03 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2a55 s ALA 11 N -1.13 -1.26 0.00 1.98 0.00 -0.24 -4.51 121.76 116.59 2a55 s ALA 11 Ca 0.10 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.61 2a55 s ALA 11 Cb 0.09 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2a55 s ALA 11 CO 0.19 -0.52 -0.15 0.00 0.00 0.00 0.00 175.76 175.28 2a55 s ALA 12 N -2.62 1.28 0.43 0.00 0.00 -1.15 -3.90 121.76 115.78 2a55 s ALA 12 Ca -0.04 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 2a55 s ALA 12 Cb -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 23.12 22.69 2a55 s ALA 12 CO -0.03 0.30 0.46 -2.30 0.00 0.00 0.00 175.76 174.18 2a55 n PRO 13 N 2.49 0.46 0.00 0.00 -0.02 -1.26 0.06 135.00 136.73 2a55 n PRO 13 Ca -0.15 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2a55 n PRO 13 Cb 0.55 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.69 0.28 0.00 -0.52 1.56 -1.26 -4.63 117.12 113.24 2a55 n MET 14 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 2a55 n MET 14 Cb 0.40 -0.02 0.00 0.00 2.15 0.00 0.00 33.22 35.75 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 0.00 0.00 -2.80 6.12 2.03 -1.26 -4.95 116.55 115.68 2a55 n ASP 15 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2a55 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.84 -1.56 5.18 3.06 -1.26 -4.59 119.36 118.35 2a55 n ILE 16 Ca 0.00 0.38 -0.54 0.00 -2.50 0.00 0.00 62.75 60.10 2a55 n ILE 16 Cb 0.00 -2.57 -0.07 0.00 0.54 0.00 0.00 39.64 37.54 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 1.03 0.26 0.07 9.51 -2.24 -1.26 -4.76 114.28 116.90 2a55 n THR 17 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2a55 n THR 17 Cb 0.44 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 7.62 3.94 -0.03 3.22 7.99 -1.26 -3.73 117.00 134.74 2a55 n LEU 18 Ca 0.35 -1.82 0.12 0.00 -0.01 0.00 0.00 56.01 54.64 2a55 n LEU 18 Cb 0.18 -0.79 0.21 0.00 -0.11 0.00 0.00 43.42 42.90 2a55 n LEU 18 CO 0.79 0.72 0.40 0.35 -1.51 0.00 0.00 177.39 178.14 2a55 n THR 19 N 1.17 0.00 -3.86 -5.08 -2.24 -1.26 -4.86 114.28 98.15 2a55 n THR 19 Ca 0.00 -0.02 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 2a55 n THR 19 Cb 0.44 0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.94 0.00 0.00 -0.78 2.02 -1.24 -5.02 118.70 110.74 2a55 s GLU 20 Ca 0.12 0.03 0.27 0.00 0.02 0.00 0.00 54.97 55.41 2a55 s GLU 20 Cb 0.17 -0.05 0.83 0.00 0.10 0.00 0.00 34.13 35.18 2a55 s GLU 20 CO 0.71 -0.03 1.62 2.41 0.02 0.00 0.00 175.26 179.99 2a55 n THR 21 N 3.27 0.00 -4.44 3.63 -1.04 -1.26 -4.87 114.28 109.57 2a55 n THR 21 Ca -0.15 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.58 2a55 n THR 21 Cb 0.58 0.15 -0.10 0.00 -1.82 0.00 0.00 70.33 69.14 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 -2.70 1.58 -0.23 -2.82 0.52 -1.26 -3.42 118.95 110.61 2a55 s ARG 22 Ca 0.20 -1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 53.65 2a55 s ARG 22 Cb 0.19 -1.58 0.12 0.00 0.52 0.00 0.00 34.95 34.20 2a55 s ARG 22 CO 0.57 0.29 0.42 -0.06 0.02 0.00 0.00 175.30 176.54 2a55 s PHE 23 N -2.64 -0.91 1.06 -0.53 0.40 -1.26 -4.97 117.98 109.12 2a55 s PHE 23 Ca 0.28 1.21 -0.17 0.00 -0.60 0.00 0.00 56.93 57.65 2a55 s PHE 23 Cb -0.04 0.20 0.06 0.00 0.51 0.00 0.00 43.02 43.75 2a55 s PHE 23 CO 0.13 -0.65 0.04 1.63 0.70 0.00 0.00 175.22 177.07 2a55 n LYS 24 N 5.38 -1.06 0.00 0.44 5.02 -1.26 -2.87 118.16 123.81 2a55 n LYS 24 Ca -0.05 -0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.01 2a55 n LYS 24 Cb 0.50 -1.70 0.35 0.00 -0.02 0.00 0.00 35.03 34.16 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2a55 n THR 25 N -4.06 0.00 0.53 -0.18 -2.24 -1.18 -1.51 114.28 105.63 2a55 n THR 25 Ca 0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 2a55 n THR 25 Cb 0.60 -0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.20 -0.51 3.48 3.38 0.00 -1.26 -4.35 105.19 105.73 2a55 n GLY 26 Ca 0.09 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.61 1.62 -0.29 2.61 -1.32 -0.57 -4.99 115.64 110.09 2a55 s THR 27 Ca 0.03 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.36 2a55 s THR 27 Cb 0.11 -2.24 0.14 0.00 -1.51 0.00 0.00 72.50 69.00 2a55 s THR 27 CO 0.63 0.00 0.90 -0.89 -2.21 0.00 0.00 174.62 173.05 2a55 s THR 28 N -2.61 -0.33 0.00 5.08 2.01 -1.26 -4.34 115.64 114.19 2a55 s THR 28 Ca 0.69 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.69 2a55 s THR 28 Cb -0.16 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2a55 s THR 28 CO 0.59 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.70 2a55 n LEU 29 N 4.50 0.00 0.00 4.42 7.99 -1.03 -4.96 117.00 127.93 2a55 n LEU 29 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 2a55 n LEU 29 Cb 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 2a55 n LEU 29 CO -0.02 -0.20 0.00 1.17 -1.51 0.00 0.00 177.39 176.84 2a55 n LYS 30 N -0.40 0.00 -1.09 3.23 4.81 -1.26 -4.58 118.16 118.87 2a55 n LYS 30 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2a55 n LYS 30 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2a55 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a55 n TYR 31 N -0.99 -3.02 -2.03 5.64 4.02 -1.26 -4.85 117.16 114.67 2a55 n TYR 31 Ca 0.00 1.61 0.00 0.00 -0.01 0.00 0.00 57.90 59.50 2a55 n TYR 31 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 39.34 36.60 2a55 n TYR 31 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2a55 n THR 32 N -1.21 0.00 -3.45 -0.72 -2.24 0.11 -4.80 114.28 101.97 2a55 n THR 32 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 2a55 n THR 32 Cb 0.07 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.40 2a55 n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a55 n LEU 34 N 5.38 -2.61 -4.58 0.00 4.77 -1.26 -4.80 117.00 113.90 2a55 n LEU 34 Ca -0.05 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 2a55 n LEU 34 Cb 0.50 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2a55 n LEU 34 CO 0.04 -2.74 1.37 -2.16 -1.33 0.00 0.00 177.39 172.56 2a55 s PRO 35 N -2.65 3.21 0.00 3.23 0.04 -1.26 -3.62 135.00 133.95 2a55 s PRO 35 Ca 0.42 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2a55 s PRO 35 Cb 0.01 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2a55 s PRO 35 CO 0.61 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2a55 n GLY 36 N 5.35 0.27 3.85 0.56 0.00 -1.26 -5.12 105.19 108.84 2a55 n GLY 36 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 3.40 0.00 1.61 1.51 -1.24 -3.51 117.35 119.12 2a55 s TYR 37 Ca 0.00 1.16 0.00 0.00 -1.01 0.00 0.00 57.07 57.22 2a55 s TYR 37 Cb 0.00 -2.49 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 2a55 s TYR 37 CO 0.00 0.14 0.00 1.33 -1.11 0.00 0.00 175.55 175.91 2a55 n VAL 38 N -0.27 0.00 -4.41 0.71 0.24 -0.93 -4.90 118.33 108.78 2a55 n VAL 38 Ca 0.03 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.13 2a55 n VAL 38 Cb 0.53 -0.04 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 2a55 n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2a55 s ARG 39 N 1.86 0.84 0.00 7.34 0.52 -1.26 -2.98 118.95 125.27 2a55 s ARG 39 Ca 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2a55 s ARG 39 Cb 0.00 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.66 2a55 s ARG 39 CO 0.00 0.22 0.27 0.45 0.02 0.00 0.00 175.30 176.26 2a55 n SER 40 N 2.56 0.00 -2.35 0.23 2.88 -1.26 -4.93 113.62 110.75 2a55 n SER 40 Ca -0.15 -1.06 -0.01 0.00 -1.33 0.00 0.00 58.87 56.32 2a55 n SER 40 Cb 0.56 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 -4.64 -1.44 0.66 -0.00 -1.26 -5.02 115.22 103.52 2a55 n HIS 41 Ca 0.00 2.75 0.00 0.00 -0.00 0.00 0.00 57.72 60.47 2a55 n HIS 41 Cb 0.51 -3.81 0.00 0.00 -0.00 0.00 0.00 29.99 26.69 2a55 n HIS 41 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2a55 n SER 42 N 1.76 0.00 -4.67 0.41 7.64 -1.26 -5.02 113.62 112.48 2a55 n SER 42 Ca -0.07 -0.65 -0.45 0.00 1.01 0.00 0.00 58.87 58.70 2a55 n SER 42 Cb 0.11 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 2a55 n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2a55 n THR 43 N 0.00 0.71 -0.85 0.44 -1.04 -1.26 -2.89 114.28 109.39 2a55 n THR 43 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2a55 n THR 43 Cb 0.16 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 2.37 0.00 -1.42 -2.82 -0.06 -1.26 -4.92 117.38 109.27 2a55 n GLN 44 Ca 0.13 0.00 0.19 0.00 -2.00 0.00 0.00 57.00 55.32 2a55 n GLN 44 Cb 0.31 -0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.43 2a55 n GLN 44 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2a55 n THR 45 N 0.00 0.00 -3.63 1.69 -2.24 -1.26 -4.72 114.28 104.12 2a55 n THR 45 Ca 0.00 0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 2a55 n THR 45 Cb 0.00 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 67.53 2a55 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2a55 s LEU 46 N -7.09 3.93 -0.02 3.22 1.02 -1.26 -4.52 118.68 113.96 2a55 s LEU 46 Ca 0.00 -0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.17 2a55 s LEU 46 Cb 0.00 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2a55 s LEU 46 CO 0.00 -0.03 -0.16 -0.89 0.02 0.00 0.00 176.35 175.29 2a55 s THR 47 N 1.66 2.93 -0.34 5.49 2.01 -1.06 -2.45 115.64 123.87 2a55 s THR 47 Ca 0.07 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 2a55 s THR 47 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 2a55 s THR 47 CO 0.09 0.50 1.83 0.00 -0.69 0.00 0.00 174.62 176.35 2a55 n ASN 49 N 10.54 -1.70 -1.89 0.00 5.15 0.33 -4.26 115.26 123.42 2a55 n ASN 49 Ca 0.23 -0.95 -0.22 0.00 -0.60 0.00 0.00 54.58 53.05 2a55 n ASN 49 Cb 0.47 -0.67 0.05 0.00 -0.53 0.00 0.00 39.78 39.11 2a55 n ASN 49 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2a55 n SER 50 N -4.23 4.87 0.00 1.20 2.88 -1.26 -4.41 113.62 112.66 2a55 n SER 50 Ca 0.10 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 2a55 n SER 50 Cb 0.39 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.80 4.12 0.00 -3.46 -0.08 -1.26 -5.01 116.55 110.06 2a55 n ASP 51 Ca 0.44 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2a55 n ASP 51 Cb 0.91 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.61 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 3.03 0.93 0.78 0.27 0.00 -1.26 -5.12 105.19 103.81 2a55 n GLY 52 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.12 -3.64 1.61 0.28 -1.26 -4.30 120.64 113.44 2a55 n GLU 53 Ca 0.00 -0.77 -0.38 0.00 -0.16 0.00 0.00 57.16 55.85 2a55 n GLU 53 Cb 0.00 0.66 -0.11 0.00 1.43 0.00 0.00 31.44 33.41 2a55 n GLU 53 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2a55 s TRP 54 N -2.86 3.18 0.29 -1.84 0.52 -1.26 -0.52 118.94 116.44 2a55 s TRP 54 Ca 0.09 -0.15 0.06 0.00 0.02 0.00 0.00 56.10 56.12 2a55 s TRP 54 Cb 0.00 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 2a55 s TRP 54 CO 0.06 -0.27 0.40 0.14 0.02 0.00 0.00 176.95 177.30 2a55 s VAL 55 N 1.70 4.59 0.00 4.03 -7.23 -0.95 -4.91 120.40 117.63 2a55 s VAL 55 Ca 0.06 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2a55 s VAL 55 Cb -0.16 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.18 2a55 s VAL 55 CO 0.08 -0.24 0.00 0.00 -0.31 0.00 0.00 175.10 174.63 2a55 n TYR 56 N -1.50 0.00 0.00 2.82 0.18 -1.26 -2.57 117.16 114.82 2a55 n TYR 56 Ca -0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.74 2a55 n TYR 56 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 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 0.00 -3.17 9.48 4.13 -1.26 -5.05 115.26 119.39 2a55 n ASN 57 Ca 0.00 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 2a55 n ASN 57 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2a55 n ASN 57 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2a55 n THR 58 N 0.00 -0.69 -1.71 3.41 -1.04 -1.14 -5.00 114.28 108.11 2a55 n THR 58 Ca 0.00 -3.65 -0.42 0.00 -2.04 0.00 0.00 64.05 57.93 2a55 n THR 58 Cb 0.00 -1.55 -0.01 0.00 -1.82 0.00 0.00 70.33 66.95 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 1.63 2.41 -2.48 -1.42 1.16 -1.18 -4.20 117.46 113.38 2a55 n PHE 59 Ca 0.21 0.52 -0.04 0.00 -1.87 0.00 0.00 57.45 56.28 2a55 n PHE 59 Cb 0.53 -2.44 -0.03 0.00 -1.61 0.00 0.00 39.48 35.93 2a55 n PHE 59 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a55 s ILE 61 N -0.80 4.17 -0.25 0.00 2.07 -1.16 -4.78 121.20 120.44 2a55 s ILE 61 Ca -0.19 -0.50 -0.28 0.00 -1.41 0.00 0.00 60.65 58.26 2a55 s ILE 61 Cb 0.01 -4.84 -0.04 0.00 0.13 0.00 0.00 42.46 37.73 2a55 s ILE 61 CO 0.69 -1.67 1.98 -0.47 -1.91 0.00 0.00 174.94 173.57 2a55 s TYR 62 N 4.38 1.52 -0.35 3.50 6.14 -1.26 -2.18 117.35 129.10 2a55 s TYR 62 Ca 0.32 0.53 0.01 0.00 0.64 0.00 0.00 57.07 58.58 2a55 s TYR 62 Cb -0.09 -4.03 0.19 0.00 0.42 0.00 0.00 41.96 38.44 2a55 s TYR 62 CO 0.03 -3.57 0.77 -1.59 0.64 0.00 0.00 175.55 171.82 2a55 s LYS 63 N 5.83 0.55 0.00 4.97 -2.85 -1.23 -4.95 119.74 122.07 2a55 s LYS 63 Ca 0.89 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.84 2a55 s LYS 63 Cb -0.28 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 2a55 s LYS 63 CO 0.34 -0.84 0.00 0.54 0.10 0.00 0.00 175.35 175.49 2a55 n ARG 64 N 4.51 3.48 -3.81 1.78 3.00 -1.26 -1.98 116.66 122.38 2a55 n ARG 64 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.80 2a55 n ARG 64 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.93 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 -0.38 3.59 -0.01 0.00 6.06 -1.26 -4.74 118.95 122.20 2a55 s ARG 66 Ca -0.05 2.27 -0.30 0.00 -2.50 0.00 0.00 55.73 55.15 2a55 s ARG 66 Cb -0.03 -2.54 -0.07 0.00 0.06 0.00 0.00 34.95 32.36 2a55 s ARG 66 CO 0.01 -0.84 1.78 -1.58 -2.50 0.00 0.00 175.30 172.17 2a55 s HIS 67 N -1.27 1.72 0.61 5.12 5.65 -1.26 -4.85 115.29 121.01 2a55 s HIS 67 Ca 0.63 -0.07 0.28 0.00 0.25 0.00 0.00 55.06 56.16 2a55 s HIS 67 Cb -0.41 -4.05 1.48 0.00 -1.18 0.00 0.00 32.58 28.43 2a55 s HIS 67 CO 0.51 -4.56 1.88 -1.00 -0.65 0.00 0.00 174.74 170.92 2a55 h PRO 68 N 9.90 0.00 0.00 2.88 0.13 -1.97 -3.47 132.00 139.46 2a55 h PRO 68 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2a55 h PRO 68 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2a55 h PRO 68 CO 0.95 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 2a55 n GLY 69 N -1.43 -0.88 3.74 1.56 0.00 -1.26 -4.70 105.19 102.23 2a55 n GLY 69 Ca 0.05 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.02 4.74 -0.64 1.61 2.56 -1.26 -4.92 118.70 120.76 2a55 s GLU 70 Ca 0.00 1.59 -0.18 0.00 0.00 0.00 0.00 54.97 56.38 2a55 s GLU 70 Cb 0.00 -3.28 0.12 0.00 2.00 0.00 0.00 34.13 32.97 2a55 s GLU 70 CO 0.00 0.32 0.71 -1.17 -0.56 0.00 0.00 175.26 174.56 2a55 s LEU 71 N -0.84 5.66 0.06 2.70 0.20 -1.26 -5.02 118.68 120.19 2a55 s LEU 71 Ca 0.44 -1.69 -0.31 0.00 0.69 0.00 0.00 54.13 53.27 2a55 s LEU 71 Cb -0.27 -2.28 -0.08 0.00 -0.43 0.00 0.00 46.19 43.12 2a55 s LEU 71 CO 0.34 -1.01 1.64 -0.60 -0.29 0.00 0.00 176.35 176.44 2a55 s ARG 72 N 2.21 4.20 -1.20 1.98 3.52 -1.26 -0.87 118.95 127.54 2a55 s ARG 72 Ca 0.13 2.32 -0.05 0.00 -0.13 0.00 0.00 55.73 57.99 2a55 s ARG 72 Cb -0.22 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 2a55 s ARG 72 CO 0.03 -0.73 1.03 0.09 -0.81 0.00 0.00 175.30 174.90 2a55 n ASN 73 N 5.62 -4.35 -3.53 -2.12 3.02 -1.26 -4.70 115.26 107.95 2a55 n ASN 73 Ca 0.16 -0.53 -0.03 0.00 -0.03 0.00 0.00 54.58 54.15 2a55 n ASN 73 Cb 0.41 -4.74 0.01 0.00 -0.61 0.00 0.00 39.78 34.84 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 -3.71 -0.05 -0.03 7.41 0.00 -0.05 -2.97 107.32 107.92 2a55 s GLY 74 Ca 0.31 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.97 2a55 s GLY 74 CO 0.68 1.60 -0.09 1.20 0.00 0.00 0.00 173.10 176.49 2a55 s GLN 75 N -2.53 0.99 -0.43 2.90 -0.21 0.31 -4.55 119.66 116.15 2a55 s GLN 75 Ca 0.18 -0.29 -0.10 0.00 0.02 0.00 0.00 55.36 55.17 2a55 s GLN 75 Cb -0.01 -0.92 0.08 0.00 1.00 0.00 0.00 33.01 33.16 2a55 s GLN 75 CO 0.03 0.09 0.29 0.08 -2.12 0.00 0.00 175.29 173.66 2a55 s VAL 76 N 0.29 4.34 -0.94 1.09 1.01 -1.26 -1.28 120.40 123.65 2a55 s VAL 76 Ca -0.05 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.28 2a55 s VAL 76 Cb -0.10 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2a55 s VAL 76 CO 0.01 -0.55 1.92 -0.70 0.00 0.00 0.00 175.10 175.77 2a55 s GLU 77 N 1.44 2.62 -0.10 2.72 2.12 -1.05 -4.93 118.70 121.52 2a55 s GLU 77 Ca 0.03 -0.44 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 2a55 s GLU 77 Cb -0.24 -5.10 -0.03 0.00 0.26 0.00 0.00 34.13 29.02 2a55 s GLU 77 CO 0.02 -3.37 -0.07 0.42 -0.54 0.00 0.00 175.26 171.72 2a55 s ILE 78 N 9.86 3.68 0.00 -3.70 -1.09 -1.26 -4.38 121.20 124.31 2a55 s ILE 78 Ca 0.68 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2a55 s ILE 78 Cb -0.06 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 2a55 s ILE 78 CO 0.00 0.57 0.00 2.29 -1.23 0.00 0.00 174.94 176.57 2a55 n LYS 79 N 2.67 0.00 0.00 2.79 0.00 -1.26 -4.90 118.16 117.46 2a55 n LYS 79 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2a55 n LYS 79 Cb 0.53 -0.05 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -1.77 0.00 -0.94 0.58 -2.24 -1.26 -4.79 114.28 103.87 2a55 n THR 80 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 80 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.06 -4.94 -2.54 3.42 9.92 -1.26 -2.24 116.55 118.85 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 0.21 -3.11 0.05 0.00 -0.64 0.00 0.00 41.12 37.63 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 -3.86 -4.73 0.64 4.32 -1.26 -4.55 117.00 107.55 2a55 n LEU 82 Ca 0.00 -0.41 -0.38 0.00 -0.02 0.00 0.00 56.01 55.19 2a55 n LEU 82 Cb 0.39 -2.14 -0.06 0.00 -1.62 0.00 0.00 43.42 39.99 2a55 n LEU 82 CO 0.00 0.13 0.23 -0.94 -1.22 0.00 0.00 177.39 175.59 2a55 s SER 83 N -3.47 6.80 0.18 -1.43 1.04 -0.95 0.14 113.70 116.01 2a55 s SER 83 Ca 0.17 0.96 -0.20 0.00 0.48 0.00 0.00 55.95 57.36 2a55 s SER 83 Cb -0.02 -2.32 -0.13 0.00 0.10 0.00 0.00 66.02 63.65 2a55 s SER 83 CO 0.45 0.01 0.33 0.33 0.98 0.00 0.00 173.24 175.34 2a55 n PHE 84 N 3.44 -0.59 -2.35 5.02 7.35 -0.84 -3.01 117.46 126.49 2a55 n PHE 84 Ca -0.06 0.68 -0.00 0.00 -0.76 0.00 0.00 57.45 57.30 2a55 n PHE 84 Cb 0.51 -1.44 0.00 0.00 0.35 0.00 0.00 39.48 38.91 2a55 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2a55 n GLY 85 N 1.54 0.74 3.11 7.13 0.00 -0.95 -4.82 105.19 111.95 2a55 n GLY 85 Ca 0.13 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.00 0.95 -0.12 1.61 1.04 -1.16 -4.96 113.70 108.06 2a55 s SER 86 Ca 0.01 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 2a55 s SER 86 Cb -0.00 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 2a55 s SER 86 CO 0.01 -0.36 -0.09 -1.58 0.98 0.00 0.00 173.24 172.20 2a55 s GLN 87 N -2.81 3.33 -0.38 4.02 -0.44 -1.25 -2.89 119.66 119.22 2a55 s GLN 87 Ca 0.01 -0.60 0.01 0.00 -2.50 0.00 0.00 55.36 52.29 2a55 s GLN 87 Cb -0.01 -2.71 0.12 0.00 -1.64 0.00 0.00 33.01 28.76 2a55 s GLN 87 CO -0.03 0.33 0.17 0.96 0.50 0.00 0.00 175.29 177.22 2a55 s ILE 88 N 0.09 1.34 1.34 -2.34 -4.36 -0.57 -4.91 121.20 111.78 2a55 s ILE 88 Ca -0.03 -2.13 -0.22 0.00 -0.26 0.00 0.00 60.65 58.01 2a55 s ILE 88 Cb -0.14 -1.97 0.34 0.00 1.25 0.00 0.00 42.46 41.94 2a55 s ILE 88 CO 0.04 -0.78 0.87 -0.62 0.24 0.00 0.00 174.94 174.69 2a55 n GLU 89 N 4.09 -4.33 -4.36 0.37 1.02 -1.25 -3.58 120.64 112.60 2a55 n GLU 89 Ca 0.04 -1.45 -0.21 0.00 -0.02 0.00 0.00 57.16 55.52 2a55 n GLU 89 Cb 0.38 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.25 1.72 -0.30 -0.32 0.40 -1.17 -2.54 117.98 113.53 2a55 s PHE 90 Ca 0.64 -1.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.45 2a55 s PHE 90 Cb -0.10 -0.86 0.19 0.00 0.51 0.00 0.00 43.02 42.76 2a55 s PHE 90 CO 0.53 -0.65 0.61 -1.12 0.70 0.00 0.00 175.22 175.29 2a55 s SER 91 N -3.44 -1.36 -0.27 1.36 0.01 -0.40 -4.87 113.70 104.73 2a55 s SER 91 Ca 0.35 0.90 -0.26 0.00 1.31 0.00 0.00 55.95 58.25 2a55 s SER 91 Cb 0.03 2.16 0.00 0.00 0.21 0.00 0.00 66.02 68.42 2a55 s SER 91 CO 0.22 -0.26 0.90 0.00 0.41 0.00 0.00 173.24 174.51 2a55 n SER 93 N 6.28 -3.18 -4.30 0.00 7.64 -1.16 -4.56 113.62 114.35 2a55 n SER 93 Ca 0.07 0.04 -0.39 0.00 1.01 0.00 0.00 58.87 59.61 2a55 n SER 93 Cb 0.47 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 62.88 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 0.29 0.12 0.00 1.43 2.13 -1.26 -0.79 120.64 122.56 2a55 n GLU 94 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2a55 n GLU 94 Cb 0.64 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 31.19 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 2.35 1.51 3.62 8.31 0.00 -1.26 -4.91 105.19 114.81 2a55 n GLY 95 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 3.10 0.37 1.61 0.40 0.03 0.57 117.98 124.06 2a55 s PHE 96 Ca 0.00 0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.44 2a55 s PHE 96 Cb 0.00 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2a55 s PHE 96 CO 0.00 0.29 0.25 -0.59 0.70 0.00 0.00 175.22 175.87 2a55 s PHE 97 N -0.43 2.74 0.11 0.36 -0.71 -0.11 -4.03 117.98 115.92 2a55 s PHE 97 Ca 0.08 -0.42 -0.19 0.00 -1.04 0.00 0.00 56.93 55.35 2a55 s PHE 97 Cb -0.12 -1.86 -0.07 0.00 -1.21 0.00 0.00 43.02 39.75 2a55 s PHE 97 CO 0.02 0.16 0.61 -1.17 -1.34 0.00 0.00 175.22 173.50 2a55 s LEU 98 N -3.97 4.49 -0.28 -1.99 0.20 -1.26 -2.92 118.68 112.95 2a55 s LEU 98 Ca 0.42 1.30 0.01 0.00 0.69 0.00 0.00 54.13 56.55 2a55 s LEU 98 Cb -0.03 -3.07 0.17 0.00 -0.43 0.00 0.00 46.19 42.84 2a55 s LEU 98 CO 0.25 0.22 0.50 -0.63 -0.29 0.00 0.00 176.35 176.40 2a55 s ILE 99 N -1.21 -0.82 0.00 6.68 1.01 -0.76 -4.96 121.20 121.13 2a55 s ILE 99 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2a55 s ILE 99 Cb -0.19 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.33 2a55 s ILE 99 CO 0.20 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2a55 n GLY 100 N 5.39 0.01 0.00 6.18 0.00 -1.26 -0.02 105.19 115.49 2a55 n GLY 100 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 1.61 2.88 -1.26 -5.01 113.62 111.84 2a55 n SER 101 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2a55 n SER 101 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 1.01 -4.42 2.46 -2.24 -1.26 -4.56 114.28 105.28 2a55 n THR 102 Ca 0.00 0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.78 2a55 n THR 102 Cb 0.00 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 66.94 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 -2.60 2.29 -0.17 4.28 -4.23 -1.26 -3.02 115.64 110.93 2a55 s THR 103 Ca 0.04 -2.10 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 2a55 s THR 103 Cb 0.03 -2.12 0.08 0.00 1.34 0.00 0.00 72.50 71.83 2a55 s THR 103 CO 0.07 -0.22 0.23 -0.55 -0.54 0.00 0.00 174.62 173.62 2a55 s SER 104 N -2.86 0.90 0.13 3.99 0.15 -1.23 -4.93 113.70 109.84 2a55 s SER 104 Ca 0.22 0.14 0.04 0.00 0.70 0.00 0.00 55.95 57.05 2a55 s SER 104 Cb -0.07 0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2a55 s SER 104 CO 0.10 -0.29 0.12 -0.13 1.20 0.00 0.00 173.24 174.25 2a55 s ARG 105 N 2.36 2.94 -0.23 5.44 0.52 -1.26 -1.51 118.95 127.21 2a55 s ARG 105 Ca 0.05 -0.77 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2a55 s ARG 105 Cb -0.14 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 2a55 s ARG 105 CO -0.10 0.52 0.03 0.00 0.02 0.00 0.00 175.30 175.77 2a55 n GLU 107 N 4.77 1.21 -4.16 0.00 0.28 0.33 -2.23 120.64 120.85 2a55 n GLU 107 Ca -0.17 -2.19 -0.20 0.00 -0.16 0.00 0.00 57.16 54.45 2a55 n GLU 107 Cb 0.51 0.52 -0.16 0.00 1.43 0.00 0.00 31.44 33.74 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2a55 s VAL 108 N -2.00 0.50 -0.02 3.84 1.01 -1.26 0.13 120.40 122.61 2a55 s VAL 108 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.95 2a55 s VAL 108 Cb -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2a55 s VAL 108 CO 0.02 0.21 -0.16 -1.10 0.00 0.00 0.00 175.10 174.08 2a55 s GLN 109 N 0.88 1.34 0.92 2.72 -0.21 -1.26 -4.66 119.66 119.39 2a55 s GLN 109 Ca -0.12 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2a55 s GLN 109 Cb -0.14 -1.27 0.00 0.00 1.00 0.00 0.00 33.01 32.60 2a55 s GLN 109 CO 0.00 0.32 0.00 -0.25 -2.12 0.00 0.00 175.29 173.24 2a55 n ASP 110 N 2.78 0.00 -0.12 5.90 8.00 -1.26 -2.40 116.55 129.44 2a55 n ASP 110 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2a55 n ASP 110 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 -0.55 -1.24 0.00 -1.26 -4.97 116.66 108.64 2a55 n ARG 111 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 2a55 n ARG 111 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 32.46 32.56 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2a55 n GLY 112 N 0.00 3.24 1.39 2.89 0.00 -1.01 -5.11 105.19 106.59 2a55 n GLY 112 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.69 -2.88 -4.48 1.61 3.14 -1.24 -4.87 118.33 108.93 2a55 n VAL 113 Ca 0.11 1.33 -0.30 0.00 -2.96 0.00 0.00 64.34 62.52 2a55 n VAL 113 Cb 0.75 -1.85 -0.12 0.00 -1.06 0.00 0.00 33.84 31.56 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 -3.43 1.63 -0.12 7.55 0.00 0.35 -4.53 107.32 108.77 2a55 s GLY 114 Ca 0.00 -1.29 -0.18 0.00 0.00 0.00 0.00 44.72 43.25 2a55 s GLY 114 CO 0.00 -1.23 0.47 -0.98 0.00 0.00 0.00 173.10 171.36 2a55 s TRP 115 N -1.04 3.52 0.12 1.90 0.23 -1.26 -0.51 118.94 121.90 2a55 s TRP 115 Ca 0.16 0.88 -0.16 0.00 -2.03 0.00 0.00 56.10 54.95 2a55 s TRP 115 Cb -0.10 -2.54 -0.02 0.00 0.03 0.00 0.00 33.47 30.84 2a55 s TRP 115 CO 0.08 0.19 1.63 0.77 0.96 0.00 0.00 176.95 180.57 2a55 h SER 116 N 6.66 0.56 -2.51 2.95 0.02 -1.82 -3.47 113.55 115.94 2a55 h SER 116 Ca -0.41 -0.22 0.14 0.00 -0.84 0.00 0.00 61.79 60.46 2a55 h SER 116 Cb 1.18 -0.15 -0.30 0.00 0.14 0.00 0.00 62.40 63.27 2a55 h SER 116 CO 0.75 0.63 0.70 -2.28 -1.14 0.00 0.00 176.83 175.49 2a55 s HIS 117 N -5.35 -0.23 0.00 3.45 5.65 -1.26 -5.02 115.29 112.53 2a55 s HIS 117 Ca -0.13 0.54 0.00 0.00 0.25 0.00 0.00 55.06 55.72 2a55 s HIS 117 Cb 0.10 0.40 0.00 0.00 -1.18 0.00 0.00 32.58 31.90 2a55 s HIS 117 CO 0.76 -0.11 0.00 -0.35 -0.65 0.00 0.00 174.74 174.39 2a55 n PRO 118 N 2.03 3.07 -1.54 2.88 -0.04 -1.26 -4.81 135.00 135.33 2a55 n PRO 118 Ca -0.12 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.95 2a55 n PRO 118 Cb 0.57 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.06 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 2.11 0.00 1.53 7.99 -1.26 -4.99 117.00 122.38 2a55 n LEU 119 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 56.01 56.82 2a55 n LEU 119 Cb 0.00 -1.28 0.00 0.00 -0.11 0.00 0.00 43.42 42.03 2a55 n LEU 119 CO 0.00 -2.34 0.00 -0.81 -1.51 0.00 0.00 177.39 172.73 2a55 n PRO 120 N -0.34 2.20 -3.77 3.23 -0.04 -1.26 -5.03 135.00 130.00 2a55 n PRO 120 Ca 0.12 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.33 2a55 n PRO 120 Cb 0.46 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.75 2a55 n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2a55 s GLN 121 N 1.87 0.72 -0.41 0.54 0.74 0.97 -4.95 119.66 119.14 2a55 s GLN 121 Ca 0.00 -0.18 -0.13 0.00 0.05 0.00 0.00 55.36 55.10 2a55 s GLN 121 Cb 0.00 -1.57 0.04 0.00 1.10 0.00 0.00 33.01 32.58 2a55 s GLN 121 CO 0.00 -0.46 0.27 0.00 -0.55 0.00 0.00 175.29 174.56 2a55 s GLU 123 N 1.60 1.60 0.65 0.00 2.12 -1.15 -4.90 118.70 118.62 2a55 s GLU 123 Ca 0.03 -0.92 -0.15 0.00 0.36 0.00 0.00 54.97 54.29 2a55 s GLU 123 Cb -0.20 -1.67 -0.01 0.00 0.26 0.00 0.00 34.13 32.51 2a55 s GLU 123 CO 0.07 0.44 1.10 -1.50 -0.54 0.00 0.00 175.26 174.83 2a55 s ILE 124 N -0.70 3.41 -1.30 -3.70 2.07 -1.26 -0.93 121.20 118.78 2a55 s ILE 124 Ca 0.09 0.64 0.29 0.00 -1.41 0.00 0.00 60.65 60.26 2a55 s ILE 124 Cb -0.09 -3.17 0.34 0.00 0.13 0.00 0.00 42.46 39.67 2a55 s ILE 124 CO 0.01 -0.41 1.86 0.18 -1.91 0.00 0.00 174.94 174.66 2a55 n LEU 125 N -2.38 0.23 0.00 8.50 4.77 0.19 -4.86 117.00 123.46 2a55 n LEU 125 Ca 0.10 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2a55 n LEU 125 Cb 0.52 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2a55 n LEU 125 CO 0.48 0.05 0.00 1.21 -1.33 0.00 0.00 177.39 177.80 2a55 n GLU 126 N -1.28 0.99 -4.21 3.23 4.07 -1.26 -5.15 120.64 117.04 2a55 n GLU 126 Ca 0.11 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.09 2a55 n GLU 126 Cb 0.30 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.58 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2a55 s HIS 127 N 2.73 1.09 -0.60 4.31 3.76 -1.26 -5.05 115.29 120.27 2a55 s HIS 127 Ca 0.00 -1.18 0.09 0.00 -0.15 0.00 0.00 55.06 53.82 2a55 s HIS 127 Cb 0.00 -0.61 0.25 0.00 1.11 0.00 0.00 32.58 33.33 2a55 s HIS 127 CO 0.00 -0.41 1.20 0.72 -0.85 0.00 0.00 174.74 175.40 2a55 n HIS 128 N -0.21 0.38 -2.00 1.40 8.25 -1.26 -4.94 115.22 116.84 2a55 n HIS 128 Ca -0.04 -0.55 -0.30 0.00 -0.26 0.00 0.00 57.72 56.57 2a55 n HIS 128 Cb 0.64 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.64 2a55 n HIS 128 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2a55 s HIS 129 N -1.23 1.69 -0.25 4.41 3.76 -1.26 -4.87 115.29 117.54 2a55 s HIS 129 Ca 0.19 0.81 -0.26 0.00 -0.15 0.00 0.00 55.06 55.65 2a55 s HIS 129 Cb 0.12 -4.00 0.09 0.00 1.11 0.00 0.00 32.58 29.89 2a55 s HIS 129 CO 0.11 -1.95 0.82 -1.58 -0.85 0.00 0.00 174.74 171.28 2a55 s HIS 130 N 10.13 -0.67 0.00 1.40 5.04 -1.26 -5.05 115.29 124.88 2a55 s HIS 130 Ca 0.72 1.60 0.00 0.00 -1.54 0.00 0.00 55.06 55.84 2a55 s HIS 130 Cb -0.09 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.84 2a55 s HIS 130 CO 0.08 -0.35 0.00 1.58 -2.34 0.00 0.00 174.74 173.71 2a55 n HIS 131 N 2.35 0.00 -1.87 3.88 -0.00 -1.26 -5.30 115.22 113.02 2a55 n HIS 131 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2a55 n HIS 131 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 2a55 n HIS 131 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38