#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a55 n ASN 1 N 0.00 -7.33 -0.20 7.83 4.13 -1.26 -4.20 115.26 114.23 2a55 n ASN 1 Ca 0.00 0.98 0.13 0.00 1.68 0.00 0.00 54.58 57.36 2a55 n ASN 1 Cb 0.00 -2.77 0.35 0.00 -1.54 0.00 0.00 39.78 35.82 2a55 n ASN 1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2a55 n GLY 3 N 1.37 0.57 3.54 0.00 0.00 -1.26 -4.37 105.19 105.04 2a55 n GLY 3 Ca 0.11 -1.47 -0.60 0.00 0.00 0.00 0.00 46.02 44.06 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 1.06 0.08 -1.52 1.61 -0.02 -1.24 -4.79 135.00 130.18 2a55 n PRO 4 Ca 0.00 0.03 -0.46 0.00 -2.02 0.00 0.00 63.50 61.05 2a55 n PRO 4 Cb 0.00 -1.54 -0.02 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 1.93 0.84 -0.61 0.52 -0.02 -1.26 -4.99 135.00 131.41 2a55 n PRO 5 Ca 0.21 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.93 2a55 n PRO 5 Cb 0.07 -1.52 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.83 -0.05 -2.54 0.52 -0.05 -1.26 -5.00 135.00 127.44 2a55 n PRO 6 Ca 0.13 -0.50 -0.38 0.00 -0.05 0.00 0.00 63.50 62.70 2a55 n PRO 6 Cb 0.29 -0.25 0.01 0.00 -0.05 0.00 0.00 33.50 33.50 2a55 n PRO 6 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 2a55 n THR 7 N -2.18 4.95 -1.70 0.52 5.66 -1.26 -5.00 114.28 115.27 2a55 n THR 7 Ca 0.04 -5.54 -0.63 0.00 -3.05 0.00 0.00 64.05 54.86 2a55 n THR 7 Cb 0.13 -1.45 -0.09 0.00 -1.55 0.00 0.00 70.33 67.37 2a55 n THR 7 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2a55 n LEU 8 N -0.21 1.39 0.25 1.09 4.32 -1.26 -4.78 117.00 117.81 2a55 n LEU 8 Ca 0.45 1.15 0.12 0.00 -0.02 0.00 0.00 56.01 57.71 2a55 n LEU 8 Cb 0.30 -0.97 0.67 0.00 -1.62 0.00 0.00 43.42 41.80 2a55 n LEU 8 CO 0.48 -0.87 0.94 0.28 -1.22 0.00 0.00 177.39 177.00 2a55 h SER 9 N 5.32 0.00 0.42 -1.43 0.02 -2.01 -1.76 113.55 114.11 2a55 h SER 9 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2a55 h SER 9 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2a55 h SER 9 CO 0.93 0.14 -0.06 0.49 -1.14 0.00 0.00 176.83 177.19 2a55 n PHE 10 N -3.65 0.00 -3.75 3.45 3.72 -1.26 -4.87 117.46 111.10 2a55 n PHE 10 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2a55 n PHE 10 Cb 0.27 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 2a55 n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a55 s ALA 11 N -2.48 -0.60 -0.01 4.37 0.00 -0.66 -4.08 121.76 118.29 2a55 s ALA 11 Ca 0.30 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.97 2a55 s ALA 11 Cb 0.20 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 2a55 s ALA 11 CO 0.46 -0.61 -0.15 0.00 0.00 0.00 0.00 175.76 175.46 2a55 s ALA 12 N -3.84 1.29 0.42 0.00 0.00 0.42 -4.31 121.76 115.73 2a55 s ALA 12 Ca 0.05 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 2a55 s ALA 12 Cb 0.03 -0.34 -0.12 0.00 0.00 0.00 0.00 23.12 22.69 2a55 s ALA 12 CO -0.10 0.31 0.62 -2.30 0.00 0.00 0.00 175.76 174.29 2a55 n PRO 13 N 2.75 0.68 0.00 0.00 -0.02 -1.26 -1.71 135.00 135.44 2a55 n PRO 13 Ca -0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2a55 n PRO 13 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.50 0.67 0.00 -0.52 1.56 -1.26 -4.77 117.12 113.29 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 0.39 -0.06 0.00 0.00 2.15 0.00 0.00 33.22 35.71 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 -2.77 6.12 -0.08 -1.26 -4.92 116.55 113.64 2a55 n ASP 15 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 2a55 n ASP 15 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 2a55 n ASP 15 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a55 n ILE 16 N 0.00 -2.05 -1.60 5.18 3.06 -1.26 -4.64 119.36 118.05 2a55 n ILE 16 Ca 0.00 0.30 -0.49 0.00 -2.50 0.00 0.00 62.75 60.06 2a55 n ILE 16 Cb 0.00 -2.53 -0.05 0.00 0.54 0.00 0.00 39.64 37.60 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 0.75 0.42 -0.38 9.51 -2.24 -1.26 -4.77 114.28 116.31 2a55 n THR 17 Ca -0.02 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2a55 n THR 17 Cb 0.45 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 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 8.28 4.32 -0.01 3.22 7.99 -1.26 -3.49 117.00 136.04 2a55 n LEU 18 Ca 0.29 -1.95 0.08 0.00 -0.01 0.00 0.00 56.01 54.43 2a55 n LEU 18 Cb 0.29 -0.91 -0.15 0.00 -0.11 0.00 0.00 43.42 42.53 2a55 n LEU 18 CO 0.73 0.81 -0.75 0.35 -1.51 0.00 0.00 177.39 177.03 2a55 n THR 19 N 1.57 0.25 -4.76 -5.08 -2.24 -1.26 -4.90 114.28 97.86 2a55 n THR 19 Ca 0.00 -0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 2a55 n THR 19 Cb 0.41 -0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.37 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 -3.36 2.13 0.12 -0.78 0.41 -1.23 -5.00 118.70 110.98 2a55 s GLU 20 Ca -0.08 -0.56 0.26 0.00 -0.41 0.00 0.00 54.97 54.19 2a55 s GLU 20 Cb 0.13 -1.70 0.98 0.00 -1.78 0.00 0.00 34.13 31.76 2a55 s GLU 20 CO 0.89 0.06 1.81 2.41 -0.49 0.00 0.00 175.26 179.95 2a55 n THR 21 N 3.76 0.40 -4.51 3.63 -1.04 -1.26 -4.82 114.28 110.44 2a55 n THR 21 Ca -0.21 -0.10 -0.25 0.00 -2.04 0.00 0.00 64.05 61.45 2a55 n THR 21 Cb 0.52 -0.62 -0.10 0.00 -1.82 0.00 0.00 70.33 68.30 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 -3.07 1.74 -0.24 -2.82 0.52 -1.26 -3.63 118.95 110.18 2a55 s ARG 22 Ca 0.11 -1.88 -0.02 0.00 -0.52 0.00 0.00 55.73 53.41 2a55 s ARG 22 Cb 0.15 -1.56 0.13 0.00 0.52 0.00 0.00 34.95 34.18 2a55 s ARG 22 CO 0.53 0.13 0.34 -0.06 0.02 0.00 0.00 175.30 176.26 2a55 s PHE 23 N -2.71 -0.70 1.06 -0.53 0.40 -1.26 -5.06 117.98 109.18 2a55 s PHE 23 Ca 0.31 0.59 -0.23 0.00 -0.60 0.00 0.00 56.93 57.00 2a55 s PHE 23 Cb 0.02 -0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.41 2a55 s PHE 23 CO 0.15 -0.73 -0.70 0.36 0.70 0.00 0.00 175.22 174.99 2a55 n LYS 24 N 5.35 -0.86 0.00 0.44 2.85 -1.26 -4.32 118.16 120.37 2a55 n LYS 24 Ca -0.04 -0.24 0.07 0.00 -1.05 0.00 0.00 58.31 57.05 2a55 n LYS 24 Cb 0.50 -1.38 0.37 0.00 -0.65 0.00 0.00 35.03 33.87 2a55 n LYS 24 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a55 n THR 25 N -3.97 0.27 0.76 0.58 -2.24 -1.26 -1.44 114.28 106.97 2a55 n THR 25 Ca -0.01 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 2a55 n THR 25 Cb 0.68 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.18 -0.33 3.61 3.38 0.00 -1.26 -4.12 105.19 106.28 2a55 n GLY 26 Ca 0.08 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.31 1.97 -0.29 2.61 -1.32 -0.52 -4.95 115.64 110.83 2a55 s THR 27 Ca 0.09 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.42 2a55 s THR 27 Cb 0.13 -2.37 0.13 0.00 -1.51 0.00 0.00 72.50 68.88 2a55 s THR 27 CO 0.57 0.00 0.86 -0.89 -2.21 0.00 0.00 174.62 172.95 2a55 s THR 28 N -2.82 -0.29 0.62 5.08 2.01 -1.24 -3.96 115.64 115.04 2a55 s THR 28 Ca 0.67 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.69 2a55 s THR 28 Cb -0.20 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.43 2a55 s THR 28 CO 0.60 0.00 0.85 0.18 -0.69 0.00 0.00 174.62 175.55 2a55 n LEU 29 N 4.44 0.00 0.00 4.42 7.99 -0.36 -4.85 117.00 128.63 2a55 n LEU 29 Ca -0.16 -1.96 0.00 0.00 -0.01 0.00 0.00 56.01 53.89 2a55 n LEU 29 Cb 0.55 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 2a55 n LEU 29 CO -0.01 -0.88 0.00 1.17 -1.51 0.00 0.00 177.39 176.16 2a55 n LYS 30 N -2.52 0.00 -1.29 3.23 3.00 -1.26 -3.66 118.16 115.66 2a55 n LYS 30 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2a55 n LYS 30 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 -1.03 -3.55 -4.25 5.64 4.02 -1.26 -4.15 117.16 112.58 2a55 n TYR 31 Ca 0.00 1.91 -0.19 0.00 -0.01 0.00 0.00 57.90 59.61 2a55 n TYR 31 Cb 0.00 -3.05 -0.11 0.00 -0.02 0.00 0.00 39.34 36.16 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 -4.21 1.39 -0.19 -0.72 -1.32 -0.70 -4.87 115.64 105.03 2a55 s THR 32 Ca 0.00 -1.65 -0.13 0.00 -1.21 0.00 0.00 61.69 58.70 2a55 s THR 32 Cb 0.00 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 2a55 s THR 32 CO 0.00 -0.33 0.27 0.00 -2.21 0.00 0.00 174.62 172.35 2a55 n LEU 34 N 3.98 -4.71 -4.52 0.00 4.77 -1.26 -4.66 117.00 110.59 2a55 n LEU 34 Ca -0.12 0.33 -0.47 0.00 -0.03 0.00 0.00 56.01 55.72 2a55 n LEU 34 Cb 0.52 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 2a55 n LEU 34 CO 0.38 -5.43 1.82 -0.81 -1.33 0.00 0.00 177.39 172.02 2a55 n PRO 35 N 1.81 1.48 0.00 3.23 -0.04 -1.26 -1.37 135.00 138.86 2a55 n PRO 35 Ca 0.02 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2a55 n PRO 35 Cb 0.53 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 2a55 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a55 n GLY 36 N 6.16 1.51 3.51 0.55 0.00 -1.26 -5.03 105.19 110.63 2a55 n GLY 36 Ca 0.36 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2a55 n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2a55 n TYR 37 N 0.00 0.33 -0.42 1.61 4.01 -0.47 -4.49 117.16 117.73 2a55 n TYR 37 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2a55 n TYR 37 Cb 0.00 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 37.86 2a55 n TYR 37 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2a55 n VAL 38 N 6.43 0.00 -3.78 -0.72 0.24 -1.26 -4.63 118.33 114.61 2a55 n VAL 38 Ca 0.63 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.89 2a55 n VAL 38 Cb 0.20 -0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 31.68 2a55 n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2a55 s ARG 39 N -2.87 1.32 0.00 7.34 1.70 -1.26 -0.07 118.95 125.10 2a55 s ARG 39 Ca 0.00 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 2a55 s ARG 39 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 2a55 s ARG 39 CO 0.00 -0.61 0.00 0.45 -1.08 0.00 0.00 175.30 174.06 2a55 n SER 40 N -0.52 2.02 -0.05 -2.89 2.88 -1.05 -4.85 113.62 109.17 2a55 n SER 40 Ca -0.06 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.42 2a55 n SER 40 Cb 0.60 0.31 -0.07 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.85 0.00 -0.05 0.66 8.25 -1.25 -4.99 115.22 116.99 2a55 n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a55 n HIS 41 Cb 0.10 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 -2.53 0.00 -4.56 0.41 2.88 -1.26 -4.89 113.62 103.68 2a55 n SER 42 Ca -0.18 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.11 2a55 n SER 42 Cb 0.80 -0.88 -0.05 0.00 -0.75 0.00 0.00 64.21 63.33 2a55 n SER 42 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2a55 s THR 43 N -1.91 3.03 -0.88 2.46 -4.23 -1.26 -4.84 115.64 108.02 2a55 s THR 43 Ca 0.00 -0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 2a55 s THR 43 Cb 0.00 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 71.06 2a55 s THR 43 CO 0.00 -0.07 1.25 0.00 -0.54 0.00 0.00 174.62 175.26 2a55 n GLN 44 N 8.92 3.90 -3.73 3.99 10.64 -1.26 -4.30 117.38 135.54 2a55 n GLN 44 Ca 0.41 -4.65 -0.12 0.00 -1.83 0.00 0.00 57.00 50.81 2a55 n GLN 44 Cb 0.49 -2.39 -0.11 0.00 -0.86 0.00 0.00 30.24 27.37 2a55 n GLN 44 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2a55 s THR 45 N -3.16 -0.01 -0.38 -0.39 -4.23 -1.26 -4.61 115.64 101.60 2a55 s THR 45 Ca 0.37 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.79 2a55 s THR 45 Cb 0.13 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.44 2a55 s THR 45 CO 0.00 0.02 0.25 -0.76 -0.54 0.00 0.00 174.62 173.59 2a55 s LEU 46 N 0.66 4.79 0.06 4.79 1.43 -1.24 -4.45 118.68 124.72 2a55 s LEU 46 Ca -0.04 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2a55 s LEU 46 Cb -0.05 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2a55 s LEU 46 CO -0.04 -0.37 -0.12 -0.89 0.23 0.00 0.00 176.35 175.16 2a55 s THR 47 N 1.64 3.24 -0.34 5.49 2.01 -1.13 -1.23 115.64 125.32 2a55 s THR 47 Ca 0.04 -1.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.68 2a55 s THR 47 Cb -0.19 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.87 2a55 s THR 47 CO 0.09 0.24 0.69 0.00 -0.69 0.00 0.00 174.62 174.95 2a55 s ASN 49 N 1.75 5.78 -1.41 0.00 6.03 -1.23 -4.25 114.94 121.61 2a55 s ASN 49 Ca 0.27 -0.32 -0.12 0.00 -1.03 0.00 0.00 52.86 51.66 2a55 s ASN 49 Cb -0.14 -0.96 -0.04 0.00 -3.03 0.00 0.00 41.25 37.08 2a55 s ASN 49 CO 0.14 -0.57 2.50 -0.24 -2.03 0.00 0.00 177.10 176.89 2a55 n SER 50 N -1.71 5.89 0.00 3.54 2.88 -1.26 -2.99 113.62 119.96 2a55 n SER 50 Ca 0.03 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 2a55 n SER 50 Cb 0.59 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 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 4.98 0.00 -0.98 -3.46 9.92 -1.26 -5.00 116.55 120.75 2a55 n ASP 51 Ca 0.62 -0.86 -0.13 0.00 -0.53 0.00 0.00 54.79 53.89 2a55 n ASP 51 Cb 0.30 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 2a55 n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a55 n GLY 52 N 0.00 1.32 3.24 0.44 0.00 -1.16 -4.98 105.19 104.05 2a55 n GLY 52 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.99 1.02 -0.37 1.61 -1.05 -1.26 -4.61 118.70 111.05 2a55 s GLU 53 Ca 0.00 -1.29 -0.23 0.00 -0.15 0.00 0.00 54.97 53.30 2a55 s GLU 53 Cb 0.00 -0.78 0.01 0.00 -0.44 0.00 0.00 34.13 32.92 2a55 s GLU 53 CO 0.00 0.13 0.79 -1.58 0.95 0.00 0.00 175.26 175.55 2a55 s TRP 54 N -2.52 3.11 0.18 4.83 0.52 -1.26 -3.57 118.94 120.23 2a55 s TRP 54 Ca 0.11 0.55 -0.01 0.00 0.02 0.00 0.00 56.10 56.76 2a55 s TRP 54 Cb -0.03 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.84 2a55 s TRP 54 CO 0.02 -0.74 0.37 0.14 0.02 0.00 0.00 176.95 176.76 2a55 s VAL 55 N 3.11 5.21 0.00 4.03 -7.23 -1.07 -4.92 120.40 119.53 2a55 s VAL 55 Ca 0.31 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2a55 s VAL 55 Cb -0.13 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.10 2a55 s VAL 55 CO 0.17 -0.11 0.00 0.00 -0.31 0.00 0.00 175.10 174.85 2a55 n TYR 56 N -0.45 0.00 -1.80 2.82 4.11 -1.26 -2.84 117.16 117.73 2a55 n TYR 56 Ca -0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 57.98 2a55 n TYR 56 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.84 2a55 n TYR 56 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2a55 n ASN 57 N 0.00 -6.06 -3.98 9.48 3.02 -1.26 -4.26 115.26 112.20 2a55 n ASN 57 Ca 0.00 0.94 -0.43 0.00 -0.03 0.00 0.00 54.58 55.06 2a55 n ASN 57 Cb 0.00 -2.64 0.01 0.00 -0.61 0.00 0.00 39.78 36.54 2a55 n ASN 57 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2a55 n THR 58 N -3.06 4.78 0.00 3.41 -1.04 -1.26 -4.92 114.28 112.19 2a55 n THR 58 Ca 0.01 -5.12 0.00 0.00 -2.04 0.00 0.00 64.05 56.90 2a55 n THR 58 Cb 0.40 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 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 2.83 0.00 -2.39 -1.42 1.16 -1.26 -4.12 117.46 112.25 2a55 n PHE 59 Ca 0.33 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.51 2a55 n PHE 59 Cb 0.35 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.19 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 1.34 0.01 -1.84 0.00 -5.35 0.90 -4.90 119.36 109.52 2a55 n ILE 61 Ca -0.00 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 2a55 n ILE 61 Cb 0.44 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2a55 n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2a55 n TYR 62 N -1.61 -4.20 -3.64 4.28 4.19 -1.23 -4.86 117.16 110.09 2a55 n TYR 62 Ca -0.00 2.53 -0.07 0.00 3.31 0.00 0.00 57.90 63.67 2a55 n TYR 62 Cb 0.10 -3.45 -0.07 0.00 0.49 0.00 0.00 39.34 36.41 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 0.69 0.00 2.98 -2.85 -1.26 -4.85 119.74 113.44 2a55 s LYS 63 Ca 0.00 1.20 0.00 0.00 -1.00 0.00 0.00 55.97 56.17 2a55 s LYS 63 Cb 0.00 0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 2a55 s LYS 63 CO 0.00 -0.15 0.00 2.89 0.10 0.00 0.00 175.35 178.19 2a55 n ARG 64 N 4.30 1.35 -4.22 1.78 1.85 -1.26 -3.38 116.66 117.09 2a55 n ARG 64 Ca -0.20 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.48 2a55 n ARG 64 Cb 0.59 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.87 2a55 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2a55 s ARG 66 N -1.13 4.24 0.06 0.00 6.06 -1.26 -4.76 118.95 122.16 2a55 s ARG 66 Ca -0.02 2.38 -0.33 0.00 -2.50 0.00 0.00 55.73 55.26 2a55 s ARG 66 Cb -0.08 -3.04 -0.12 0.00 0.06 0.00 0.00 34.95 31.78 2a55 s ARG 66 CO 0.01 -0.37 1.78 0.72 -2.50 0.00 0.00 175.30 174.94 2a55 n HIS 67 N 0.98 2.42 0.27 5.12 8.25 -1.26 -4.79 115.22 126.21 2a55 n HIS 67 Ca 0.02 0.01 0.13 0.00 -0.26 0.00 0.00 57.72 57.62 2a55 n HIS 67 Cb 0.40 -2.66 0.69 0.00 1.12 0.00 0.00 29.99 29.55 2a55 n HIS 67 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a55 h PRO 68 N 8.07 0.00 0.00 -0.41 0.13 -1.95 -3.47 132.00 134.37 2a55 h PRO 68 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a55 h PRO 68 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2a55 h PRO 68 CO 0.93 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.11 2a55 n GLY 69 N -1.23 -1.00 3.74 1.56 0.00 -1.26 -4.34 105.19 102.66 2a55 n GLY 69 Ca -0.02 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.17 4.61 -0.50 1.61 2.56 -1.26 -4.90 118.70 120.66 2a55 s GLU 70 Ca 0.00 1.26 -0.16 0.00 0.00 0.00 0.00 54.97 56.07 2a55 s GLU 70 Cb 0.00 -3.35 0.09 0.00 2.00 0.00 0.00 34.13 32.87 2a55 s GLU 70 CO 0.00 0.32 0.45 -1.17 -0.56 0.00 0.00 175.26 174.30 2a55 s LEU 71 N -0.30 5.73 0.00 2.70 0.20 -1.26 -5.00 118.68 120.75 2a55 s LEU 71 Ca 0.41 -1.43 0.00 0.00 0.69 0.00 0.00 54.13 53.81 2a55 s LEU 71 Cb -0.22 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.33 2a55 s LEU 71 CO 0.27 -0.73 0.00 -1.14 -0.29 0.00 0.00 176.35 174.46 2a55 n ARG 72 N 5.30 0.00 0.00 1.98 0.63 -1.26 -3.30 116.66 120.01 2a55 n ARG 72 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2a55 n ARG 72 Cb 0.43 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.16 2a55 n ARG 72 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2a55 n ASN 73 N 0.00 0.00 -2.93 6.15 3.02 -1.26 -4.54 115.26 115.70 2a55 n ASN 73 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 2a55 n ASN 73 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 2a55 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a55 n GLY 74 N -0.81 3.76 2.40 7.41 0.00 -1.21 -0.25 105.19 116.50 2a55 n GLY 74 Ca 0.00 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.68 2a55 n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2a55 n GLN 75 N -0.52 0.47 -1.64 1.61 6.02 0.51 -4.52 117.38 119.30 2a55 n GLN 75 Ca -0.06 -2.90 -0.55 0.00 -0.01 0.00 0.00 57.00 53.48 2a55 n GLN 75 Cb 0.31 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 2a55 n GLN 75 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2a55 n VAL 76 N 2.24 0.31 -2.38 5.09 3.14 -1.26 -3.03 118.33 122.44 2a55 n VAL 76 Ca 0.23 -0.10 -0.40 0.00 -2.96 0.00 0.00 64.34 61.11 2a55 n VAL 76 Cb 0.52 -1.37 -0.03 0.00 -1.06 0.00 0.00 33.84 31.90 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 4.25 3.00 0.06 1.45 2.56 0.12 -4.96 118.70 125.18 2a55 s GLU 77 Ca 1.01 0.04 0.07 0.00 0.00 0.00 0.00 54.97 56.09 2a55 s GLU 77 Cb -1.00 -4.25 -0.03 0.00 2.00 0.00 0.00 34.13 30.85 2a55 s GLU 77 CO 0.61 -2.34 -0.17 0.42 -0.56 0.00 0.00 175.26 173.22 2a55 s ILE 78 N 6.84 2.90 0.00 -3.70 -1.09 -1.26 -4.07 121.20 120.82 2a55 s ILE 78 Ca 0.46 -1.24 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 2a55 s ILE 78 Cb -0.10 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 2a55 s ILE 78 CO 0.17 0.27 0.00 2.29 -1.23 0.00 0.00 174.94 176.44 2a55 n LYS 79 N 1.32 0.00 0.00 2.79 0.00 -1.26 -4.93 118.16 116.08 2a55 n LYS 79 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.17 2a55 n LYS 79 Cb 0.52 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.64 2a55 n LYS 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2a55 n THR 80 N -2.13 0.00 -0.94 0.58 -2.24 -1.26 -4.77 114.28 103.52 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 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.59 -5.35 -2.87 3.42 9.92 -1.26 -1.73 116.55 118.10 2a55 n ASP 81 Ca 0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.15 2a55 n ASP 81 Cb 0.01 -3.37 0.07 0.00 -0.64 0.00 0.00 41.12 37.19 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 -3.88 -1.15 0.64 7.99 -1.26 -4.54 117.00 114.80 2a55 n LEU 82 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 56.01 55.50 2a55 n LEU 82 Cb 0.45 -2.54 0.00 0.00 -0.11 0.00 0.00 43.42 41.21 2a55 n LEU 82 CO 0.00 0.24 0.52 -1.54 -1.51 0.00 0.00 177.39 175.10 2a55 n SER 83 N -2.69 2.99 -1.72 -1.43 3.41 -0.70 -0.74 113.62 112.74 2a55 n SER 83 Ca -0.18 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2a55 n SER 83 Cb 0.62 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2a55 n SER 83 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a55 n PHE 84 N 0.84 -4.09 -1.64 7.33 7.35 -1.22 -4.73 117.46 121.30 2a55 n PHE 84 Ca 0.00 2.16 0.00 0.00 -0.76 0.00 0.00 57.45 58.85 2a55 n PHE 84 Cb 0.42 -3.23 0.00 0.00 0.35 0.00 0.00 39.48 37.01 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 -0.33 0.50 3.32 7.13 0.00 -1.26 -4.96 105.19 109.59 2a55 n GLY 85 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.91 1.97 -0.09 1.61 0.01 -1.26 -4.97 113.70 108.06 2a55 s SER 86 Ca 0.00 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.14 2a55 s SER 86 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 2a55 s SER 86 CO 0.00 -0.41 -0.15 -1.58 0.41 0.00 0.00 173.24 171.50 2a55 s GLN 87 N -3.80 2.97 -0.38 12.44 -0.44 -1.26 -3.70 119.66 125.50 2a55 s GLN 87 Ca 0.25 -0.73 0.02 0.00 -2.50 0.00 0.00 55.36 52.40 2a55 s GLN 87 Cb 0.04 -2.47 0.11 0.00 -1.64 0.00 0.00 33.01 29.05 2a55 s GLN 87 CO 0.06 0.37 0.14 0.96 0.50 0.00 0.00 175.29 177.32 2a55 s ILE 88 N -0.07 1.58 1.30 -2.34 -4.36 -1.10 -4.89 121.20 111.32 2a55 s ILE 88 Ca -0.03 -2.18 -0.18 0.00 -0.26 0.00 0.00 60.65 58.00 2a55 s ILE 88 Cb -0.14 -2.15 0.33 0.00 1.25 0.00 0.00 42.46 41.75 2a55 s ILE 88 CO 0.04 -0.73 0.98 -1.61 0.24 0.00 0.00 174.94 173.86 2a55 s GLU 89 N 0.87 -1.98 0.11 0.37 2.02 -1.25 -3.65 118.70 115.17 2a55 s GLU 89 Ca 0.13 0.40 0.02 0.00 0.02 0.00 0.00 54.97 55.54 2a55 s GLU 89 Cb -0.21 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 2a55 s GLU 89 CO -0.11 -4.32 0.06 1.19 0.02 0.00 0.00 175.26 172.10 2a55 n PHE 90 N -5.28 -0.08 -3.16 1.61 3.01 -1.25 0.15 117.46 112.46 2a55 n PHE 90 Ca 0.08 -0.77 0.04 0.00 1.01 0.00 0.00 57.45 57.81 2a55 n PHE 90 Cb 0.58 0.04 -0.01 0.00 -0.01 0.00 0.00 39.48 40.07 2a55 n PHE 90 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2a55 s SER 91 N -1.69 -1.25 -0.15 4.37 0.01 -1.17 -4.79 113.70 109.03 2a55 s SER 91 Ca 0.08 0.81 -0.22 0.00 1.31 0.00 0.00 55.95 57.94 2a55 s SER 91 Cb 0.00 2.06 -0.03 0.00 0.21 0.00 0.00 66.02 68.27 2a55 s SER 91 CO 0.06 -0.23 0.68 0.00 0.41 0.00 0.00 173.24 174.16 2a55 n SER 93 N 4.67 -3.11 0.00 0.00 7.64 0.66 -4.59 113.62 118.88 2a55 n SER 93 Ca -0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2a55 n SER 93 Cb 0.50 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 2.48 0.00 0.08 1.43 2.13 -1.26 -1.13 120.64 124.37 2a55 n GLU 94 Ca -0.02 0.45 0.12 0.00 0.66 0.00 0.00 57.16 58.37 2a55 n GLU 94 Cb 0.74 -0.76 0.46 0.00 0.27 0.00 0.00 31.44 32.15 2a55 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2a55 n GLY 95 N -0.90 -1.43 3.58 8.31 0.00 -1.26 -4.71 105.19 108.78 2a55 n GLY 95 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.15 3.16 0.26 1.61 0.08 -0.28 -0.42 117.98 119.24 2a55 s PHE 96 Ca 0.08 -0.09 0.05 0.00 0.12 0.00 0.00 56.93 57.10 2a55 s PHE 96 Cb 0.12 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2a55 s PHE 96 CO 0.47 0.07 0.37 -0.59 -0.10 0.00 0.00 175.22 175.44 2a55 s PHE 97 N 0.40 3.36 0.20 0.36 -0.71 0.16 -3.16 117.98 118.58 2a55 s PHE 97 Ca 0.00 -0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 55.58 2a55 s PHE 97 Cb -0.13 -1.65 -0.08 0.00 -1.21 0.00 0.00 43.02 39.94 2a55 s PHE 97 CO 0.01 0.35 0.79 -1.17 -1.34 0.00 0.00 175.22 173.86 2a55 s LEU 98 N -4.01 4.52 -0.29 -1.99 0.20 -1.26 -2.73 118.68 113.12 2a55 s LEU 98 Ca 0.36 1.63 0.05 0.00 0.69 0.00 0.00 54.13 56.85 2a55 s LEU 98 Cb -0.09 -3.44 0.19 0.00 -0.43 0.00 0.00 46.19 42.42 2a55 s LEU 98 CO 0.29 0.14 0.53 -0.63 -0.29 0.00 0.00 176.35 176.40 2a55 s ILE 99 N -1.28 -0.88 0.00 6.68 1.01 -0.80 -4.94 121.20 120.99 2a55 s ILE 99 Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2a55 s ILE 99 Cb -0.21 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2a55 s ILE 99 CO 0.25 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2a55 n GLY 100 N 5.40 0.00 1.62 6.18 0.00 -1.26 -0.72 105.19 116.41 2a55 n GLY 100 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -5.60 -0.76 1.61 2.88 -1.26 -4.66 113.62 105.83 2a55 n SER 101 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 2a55 n SER 101 Cb 0.00 -3.00 0.00 0.00 -0.75 0.00 0.00 64.21 60.46 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 0.87 0.41 -3.84 2.46 -2.24 -1.26 -4.65 114.28 106.03 2a55 n THR 102 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2a55 n THR 102 Cb 0.00 -0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.37 0.06 -0.15 4.28 -4.23 -1.26 -3.87 115.64 110.11 2a55 s THR 103 Ca 0.00 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2a55 s THR 103 Cb 0.00 -0.44 0.07 0.00 1.34 0.00 0.00 72.50 73.47 2a55 s THR 103 CO 0.00 -0.29 0.20 -0.44 -0.54 0.00 0.00 174.62 173.55 2a55 s SER 104 N -1.10 1.06 0.10 3.99 0.01 -1.24 -4.88 113.70 111.64 2a55 s SER 104 Ca -0.12 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.23 2a55 s SER 104 Cb -0.06 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 2a55 s SER 104 CO 0.02 -0.29 0.23 -0.13 0.41 0.00 0.00 173.24 173.48 2a55 s ARG 105 N 2.32 3.38 0.00 12.44 0.52 -1.26 -2.71 118.95 133.64 2a55 s ARG 105 Ca 0.04 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 2a55 s ARG 105 Cb -0.14 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.36 2a55 s ARG 105 CO -0.09 0.57 0.00 0.00 0.02 0.00 0.00 175.30 175.80 2a55 n GLU 107 N -2.08 -2.57 -4.30 0.00 -0.58 -1.24 -2.83 120.64 107.04 2a55 n GLU 107 Ca 0.00 1.89 -0.19 0.00 -0.42 0.00 0.00 57.16 58.44 2a55 n GLU 107 Cb 0.00 -3.07 -0.16 0.00 -0.57 0.00 0.00 31.44 27.64 2a55 n GLU 107 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2a55 s VAL 108 N -2.91 0.66 0.00 2.62 1.01 -1.26 0.38 120.40 120.91 2a55 s VAL 108 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2a55 s VAL 108 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2a55 s VAL 108 CO 0.00 0.22 0.09 0.00 0.00 0.00 0.00 175.10 175.41 2a55 n GLN 109 N 3.42 0.00 0.00 2.72 10.64 -1.26 -4.71 117.38 128.19 2a55 n GLN 109 Ca -0.19 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 54.90 2a55 n GLN 109 Cb 0.54 0.38 0.00 0.00 -0.86 0.00 0.00 30.24 30.30 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 -2.52 2.61 8.00 -1.26 -4.89 116.55 118.48 2a55 n ASP 110 Ca -0.02 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.23 2a55 n ASP 110 Cb 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 2a55 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2a55 n ARG 111 N 0.00 2.66 0.00 -1.24 5.12 -1.26 -4.48 116.66 117.46 2a55 n ARG 111 Ca 0.00 -2.04 0.00 0.00 -1.93 0.00 0.00 57.85 53.88 2a55 n ARG 111 Cb 0.00 -2.21 0.00 0.00 -1.16 0.00 0.00 32.46 29.09 2a55 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a55 n GLY 112 N 1.73 1.56 3.65 -0.13 0.00 -1.26 -4.96 105.19 105.78 2a55 n GLY 112 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.34 0.00 0.25 1.61 0.11 -1.26 -4.80 120.40 113.97 2a55 s VAL 113 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2a55 s VAL 113 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2a55 s VAL 113 CO 0.00 0.00 0.07 -0.83 -3.33 0.00 0.00 175.10 171.01 2a55 s GLY 114 N 0.28 1.58 -0.44 6.54 0.00 0.16 -4.42 107.32 111.02 2a55 s GLY 114 Ca 0.04 -1.52 -0.08 0.00 0.00 0.00 0.00 44.72 43.16 2a55 s GLY 114 CO -0.13 -1.56 0.29 0.86 0.00 0.00 0.00 173.10 172.56 2a55 s TRP 115 N -2.16 3.41 0.15 1.90 -0.00 -1.23 -3.58 118.94 117.43 2a55 s TRP 115 Ca 0.31 -1.83 -0.24 0.00 -0.00 0.00 0.00 56.10 54.35 2a55 s TRP 115 Cb -0.07 -3.23 0.03 0.00 -0.00 0.00 0.00 33.47 30.19 2a55 s TRP 115 CO 0.22 -0.93 1.61 1.03 -0.00 0.00 0.00 176.95 178.87 2a55 h SER 116 N 8.37 -0.97 -4.28 5.86 0.87 -0.84 -3.44 113.55 119.13 2a55 h SER 116 Ca -0.21 0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.37 2a55 h SER 116 Cb 1.07 0.44 -0.23 0.00 -0.44 0.00 0.00 62.40 63.24 2a55 h SER 116 CO 0.79 -0.32 -0.39 -1.00 -0.53 0.00 0.00 176.83 175.38 2a55 s HIS 117 N -6.02 -0.21 0.00 2.24 3.76 -1.25 -4.98 115.29 108.83 2a55 s HIS 117 Ca -0.15 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2a55 s HIS 117 Cb 0.12 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.89 2a55 s HIS 117 CO 0.67 -0.22 0.00 -0.35 -0.85 0.00 0.00 174.74 173.99 2a55 n PRO 118 N 2.32 1.62 -1.86 8.40 -0.04 -1.26 -4.58 135.00 139.60 2a55 n PRO 118 Ca -0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 2a55 n PRO 118 Cb 0.57 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.08 2a55 n PRO 118 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2a55 s LEU 119 N 0.00 3.54 0.00 1.53 1.43 -1.26 -4.92 118.68 119.00 2a55 s LEU 119 Ca 0.00 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2a55 s LEU 119 Cb 0.00 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.67 2a55 s LEU 119 CO 0.00 -1.71 0.22 -0.81 0.23 0.00 0.00 176.35 174.28 2a55 n PRO 120 N -1.97 0.55 -3.91 1.29 -0.04 -1.26 -4.98 135.00 124.68 2a55 n PRO 120 Ca 0.13 -0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 62.59 2a55 n PRO 120 Cb 0.50 -0.13 -0.14 0.00 -0.04 0.00 0.00 33.50 33.69 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 -2.92 3.14 -0.42 0.54 0.74 0.10 -4.95 119.66 115.89 2a55 s GLN 121 Ca 0.15 -0.79 -0.15 0.00 0.05 0.00 0.00 55.36 54.62 2a55 s GLN 121 Cb -0.01 -3.05 0.03 0.00 1.10 0.00 0.00 33.01 31.08 2a55 s GLN 121 CO 0.10 -0.31 0.32 0.00 -0.55 0.00 0.00 175.29 174.85 2a55 s GLU 123 N 1.70 1.39 0.36 0.00 2.56 -1.10 -4.89 118.70 118.71 2a55 s GLU 123 Ca 0.05 -1.11 -0.28 0.00 0.00 0.00 0.00 54.97 53.63 2a55 s GLU 123 Cb -0.20 -1.63 -0.10 0.00 2.00 0.00 0.00 34.13 34.20 2a55 s GLU 123 CO 0.10 0.40 1.30 -1.50 -0.56 0.00 0.00 175.26 175.00 2a55 s ILE 124 N -0.95 2.70 0.00 -3.70 1.10 -1.26 -0.66 121.20 118.43 2a55 s ILE 124 Ca 0.09 0.67 -0.06 0.00 -0.51 0.00 0.00 60.65 60.84 2a55 s ILE 124 Cb -0.10 -3.42 -0.03 0.00 0.15 0.00 0.00 42.46 39.06 2a55 s ILE 124 CO 0.03 0.14 0.76 -0.07 -2.11 0.00 0.00 174.94 173.69 2a55 h LEU 125 N 3.12 -0.19 0.00 8.50 3.38 -1.11 -3.46 115.31 125.55 2a55 h LEU 125 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2a55 h LEU 125 Cb 1.23 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2a55 h LEU 125 CO 0.64 -0.09 0.00 1.21 0.09 0.00 0.00 178.44 180.29 2a55 n GLU 126 N -2.81 0.00 -2.46 1.13 2.13 -1.26 -5.12 120.64 112.24 2a55 n GLU 126 Ca -0.03 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.38 2a55 n GLU 126 Cb 0.09 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.76 2a55 n GLU 126 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2a55 s HIS 127 N -0.44 3.52 -0.00 4.31 2.46 -1.26 -4.98 115.29 118.90 2a55 s HIS 127 Ca 0.00 1.51 -0.30 0.00 0.47 0.00 0.00 55.06 56.74 2a55 s HIS 127 Cb 0.00 -3.34 -0.05 0.00 -0.13 0.00 0.00 32.58 29.06 2a55 s HIS 127 CO 0.00 -0.86 1.41 -1.58 -2.47 0.00 0.00 174.74 171.24 2a55 s HIS 128 N 0.02 2.81 0.58 3.88 2.46 -1.26 -4.98 115.29 118.80 2a55 s HIS 128 Ca 0.52 0.79 -0.19 0.00 0.47 0.00 0.00 55.06 56.64 2a55 s HIS 128 Cb -0.30 -3.68 -0.04 0.00 -0.13 0.00 0.00 32.58 28.43 2a55 s HIS 128 CO 0.34 -2.51 1.23 -3.38 -2.47 0.00 0.00 174.74 167.95 2a55 s HIS 129 N 2.48 2.39 0.06 3.88 -3.43 -1.26 -5.05 115.29 114.37 2a55 s HIS 129 Ca 0.64 1.50 0.04 0.00 -0.80 0.00 0.00 55.06 56.44 2a55 s HIS 129 Cb -0.31 -3.53 -0.03 0.00 -1.43 0.00 0.00 32.58 27.28 2a55 s HIS 129 CO 0.26 -2.30 -0.11 -1.58 -2.00 0.00 0.00 174.74 169.01 2a55 s HIS 130 N -1.53 0.97 0.07 0.38 5.04 -1.26 -5.08 115.29 113.89 2a55 s HIS 130 Ca 0.76 -0.49 -0.25 0.00 -1.54 0.00 0.00 55.06 53.54 2a55 s HIS 130 Cb -0.32 -0.56 -0.11 0.00 0.04 0.00 0.00 32.58 31.63 2a55 s HIS 130 CO 0.35 -0.01 1.39 0.45 -2.34 0.00 0.00 174.74 174.59 2a55 h HIS 131 N 4.31 -1.07 0.00 3.88 3.86 -2.07 -3.54 115.15 120.51 2a55 h HIS 131 Ca -0.38 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2a55 h HIS 131 Cb 1.20 0.45 0.00 0.00 1.06 0.00 0.00 27.41 30.11 2a55 h HIS 131 CO 0.64 -0.44 0.00 1.58 0.86 0.00 0.00 177.93 180.57