#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2be6 s LEU 4 N 0.00 5.84 0.56 1.69 2.96 -1.26 -5.08 118.68 123.39 2be6 s LEU 4 Ca 0.00 -1.55 -0.09 0.00 -0.22 0.00 0.00 54.13 52.27 2be6 s LEU 4 Cb 0.00 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2be6 s LEU 4 CO 0.00 -0.73 0.93 0.42 -1.32 0.00 0.00 176.35 175.65 2be6 s THR 5 N 1.60 4.79 0.50 3.68 -4.23 -1.26 -4.87 115.64 115.85 2be6 s THR 5 Ca 0.04 0.61 0.19 0.00 -1.18 0.00 0.00 61.69 61.35 2be6 s THR 5 Cb -0.27 -3.87 0.34 0.00 1.34 0.00 0.00 72.50 70.05 2be6 s THR 5 CO 0.05 -1.02 2.03 1.05 -0.54 0.00 0.00 174.62 176.19 2be6 h GLU 6 N -0.08 0.12 0.02 3.99 9.09 -1.99 -0.45 114.58 125.27 2be6 h GLU 6 Ca -0.45 -0.01 -0.26 0.00 0.05 0.00 0.00 59.36 58.69 2be6 h GLU 6 Cb 1.20 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 28.28 2be6 h GLU 6 CO 0.62 0.08 -1.04 0.93 0.05 0.00 0.00 179.01 179.65 2be6 h GLU 7 N 0.12 0.57 -0.55 1.06 3.07 -1.98 -2.01 114.58 114.86 2be6 h GLU 7 Ca 0.19 -0.64 -0.06 0.00 -0.50 0.00 0.00 59.36 58.35 2be6 h GLU 7 Cb 0.60 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 2be6 h GLU 7 CO -0.02 1.25 0.10 0.37 -1.40 0.00 0.00 179.01 179.31 2be6 h GLN 8 N 0.31 0.91 -0.35 2.33 5.75 -1.73 -0.30 115.11 122.02 2be6 h GLN 8 Ca -0.12 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.19 2be6 h GLN 8 Cb 1.69 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 30.09 2be6 h GLN 8 CO 0.19 0.87 0.08 0.82 -2.65 0.00 0.00 178.83 178.14 2be6 h ILE 9 N 0.80 0.84 -0.90 2.39 2.04 -1.16 -1.36 117.51 120.16 2be6 h ILE 9 Ca 0.17 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 66.03 2be6 h ILE 9 Cb 0.40 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2be6 h ILE 9 CO 0.01 0.04 0.56 0.00 0.00 0.00 0.00 178.15 178.76 2be6 h ALA 10 N 1.26 1.25 -0.44 1.87 0.00 -0.94 0.22 119.26 122.48 2be6 h ALA 10 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2be6 h ALA 10 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2be6 h ALA 10 CO -0.21 0.29 -0.25 0.93 0.00 0.00 0.00 179.25 180.01 2be6 h GLU 11 N 1.00 0.93 -0.50 0.00 5.08 -0.75 -2.06 114.58 118.27 2be6 h GLU 11 Ca 0.40 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2be6 h GLU 11 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2be6 h GLU 11 CO -0.19 1.07 -0.04 0.74 -1.00 0.00 0.00 179.01 179.58 2be6 h PHE 12 N 0.79 0.96 -1.00 4.33 0.04 -0.59 -2.14 116.94 119.33 2be6 h PHE 12 Ca 0.10 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.74 2be6 h PHE 12 Cb 0.82 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.66 2be6 h PHE 12 CO 0.05 0.89 0.66 -0.22 -0.60 0.00 0.00 178.31 179.09 2be6 h LYS 13 N 0.81 1.24 -0.68 1.51 1.63 -0.38 -0.03 116.57 120.67 2be6 h LYS 13 Ca 0.14 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.92 2be6 h LYS 13 Cb 0.54 -0.28 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 2be6 h LYS 13 CO 0.03 0.82 0.40 0.93 -3.45 0.00 0.00 179.45 178.18 2be6 h GLU 14 N 1.28 0.73 -0.73 1.90 5.08 -1.09 0.97 114.58 122.72 2be6 h GLU 14 Ca 0.39 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 2be6 h GLU 14 Cb -0.02 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2be6 h GLU 14 CO -0.12 0.49 0.20 0.00 -1.00 0.00 0.00 179.01 178.58 2be6 h ALA 15 N 1.33 0.95 -0.49 3.43 0.00 -0.71 -2.73 119.26 121.04 2be6 h ALA 15 Ca 0.30 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2be6 h ALA 15 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2be6 h ALA 15 CO -0.15 0.66 0.29 0.35 0.00 0.00 0.00 179.25 180.39 2be6 h PHE 16 N 1.09 0.54 0.00 0.00 3.57 -0.63 -2.60 116.94 118.91 2be6 h PHE 16 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2be6 h PHE 16 Cb 0.34 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2be6 h PHE 16 CO 0.03 0.31 -0.06 0.77 -2.23 0.00 0.00 178.31 177.13 2be6 h SER 17 N 0.58 0.00 -0.51 0.41 0.02 -0.64 0.86 113.55 114.27 2be6 h SER 17 Ca 0.20 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2be6 h SER 17 Cb 0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2be6 h SER 17 CO -0.10 0.06 -0.10 0.25 -1.14 0.00 0.00 176.83 175.81 2be6 h LEU 18 N 0.00 0.98 0.20 5.07 6.46 -1.16 -3.21 115.31 123.64 2be6 h LEU 18 Ca -0.00 -0.31 -0.31 0.00 -0.12 0.00 0.00 57.88 57.13 2be6 h LEU 18 Cb 0.11 -0.27 0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2be6 h LEU 18 CO 0.01 1.09 -1.38 -0.26 -0.62 0.00 0.00 178.44 177.28 2be6 h PHE 19 N 0.88 0.80 -0.26 1.25 0.04 -1.24 -3.37 116.94 115.04 2be6 h PHE 19 Ca 0.14 -0.58 -0.72 0.00 2.80 0.00 0.00 57.97 59.62 2be6 h PHE 19 Cb 0.65 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.70 2be6 h PHE 19 CO 0.04 1.45 2.93 -3.47 -0.60 0.00 0.00 178.31 178.66 2be6 n ASP 20 N -3.65 4.11 0.04 2.17 2.03 0.21 -4.49 116.55 116.96 2be6 n ASP 20 Ca -0.13 -2.89 0.08 0.00 0.52 0.00 0.00 54.79 52.36 2be6 n ASP 20 Cb 1.07 -1.63 0.50 0.00 -0.72 0.00 0.00 41.12 40.35 2be6 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2be6 h LYS 21 N 5.95 0.36 -0.01 -0.67 1.79 -1.74 -1.82 116.57 120.43 2be6 h LYS 21 Ca 0.54 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 2be6 h LYS 21 Cb 0.64 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2be6 h LYS 21 CO 1.84 0.24 -0.33 -0.40 -1.08 0.00 0.00 179.45 179.72 2be6 n ASP 22 N -4.48 0.97 -0.22 0.86 5.68 -1.26 -4.93 116.55 113.16 2be6 n ASP 22 Ca 0.04 -0.80 -0.03 0.00 -0.50 0.00 0.00 54.79 53.50 2be6 n ASP 22 Cb 0.17 0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 2be6 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2be6 n GLY 23 N 1.38 0.60 0.04 6.12 0.00 -0.68 -4.90 105.19 107.74 2be6 n GLY 23 Ca 0.11 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.88 2be6 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2be6 n ASP 24 N 0.41 0.12 0.00 1.61 3.85 -1.26 -4.91 116.55 116.37 2be6 n ASP 24 Ca -0.03 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 53.02 2be6 n ASP 24 Cb 0.16 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 2be6 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2be6 n GLY 25 N 1.02 0.71 3.19 6.12 0.00 -1.26 -5.06 105.19 109.90 2be6 n GLY 25 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 2be6 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2be6 s THR 26 N -2.41 1.06 -0.19 2.61 -4.23 -1.26 -4.03 115.64 107.18 2be6 s THR 26 Ca 0.00 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 2be6 s THR 26 Cb 0.00 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 2be6 s THR 26 CO 0.00 -0.43 0.06 -0.63 -0.54 0.00 0.00 174.62 173.08 2be6 s ILE 27 N -2.02 4.68 0.46 2.99 1.01 0.11 -4.70 121.20 123.71 2be6 s ILE 27 Ca 0.04 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.70 2be6 s ILE 27 Cb -0.05 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.31 2be6 s ILE 27 CO 0.01 0.44 0.55 0.42 0.00 0.00 0.00 174.94 176.36 2be6 s THR 28 N 0.59 2.67 0.25 2.92 -4.23 -1.26 -1.75 115.64 114.83 2be6 s THR 28 Ca 0.03 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2be6 s THR 28 Cb -0.13 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 71.02 2be6 s THR 28 CO 0.01 0.00 1.73 0.71 -0.54 0.00 0.00 174.62 176.53 2be6 h THR 29 N 0.66 1.25 -0.30 3.99 1.35 -1.90 -1.62 112.91 116.35 2be6 h THR 29 Ca -0.38 -1.06 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 2be6 h THR 29 Cb 1.28 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 2be6 h THR 29 CO 0.48 0.37 0.15 0.11 -0.25 0.00 0.00 175.52 176.38 2be6 h LYS 30 N 0.76 0.43 -0.40 4.72 6.56 -1.97 -0.55 116.57 126.12 2be6 h LYS 30 Ca 0.14 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2be6 h LYS 30 Cb 0.49 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.06 2be6 h LYS 30 CO 0.02 0.40 0.22 0.93 -2.06 0.00 0.00 179.45 178.96 2be6 h GLU 31 N 0.35 0.57 -0.16 3.15 5.08 -1.83 -0.93 114.58 120.81 2be6 h GLU 31 Ca 0.10 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2be6 h GLU 31 Cb 0.11 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2be6 h GLU 31 CO -0.01 0.46 0.02 1.25 -1.00 0.00 0.00 179.01 179.73 2be6 h LEU 32 N 0.52 -0.02 -0.90 1.33 5.85 -1.25 -2.06 115.31 118.79 2be6 h LEU 32 Ca 0.14 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.98 2be6 h LEU 32 Cb 0.06 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2be6 h LEU 32 CO -0.02 0.02 0.55 1.23 -0.34 0.00 0.00 178.44 179.87 2be6 h GLY 33 N 0.08 1.41 0.74 3.75 0.00 -0.90 -0.95 103.07 107.21 2be6 h GLY 33 Ca 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2be6 h GLY 33 CO -0.10 0.18 -0.16 -0.84 0.00 0.00 0.00 176.54 175.62 2be6 h THR 34 N 0.92 0.63 -0.09 4.70 2.02 -0.79 -0.36 112.91 119.94 2be6 h THR 34 Ca 0.43 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 2be6 h THR 34 Cb 0.35 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2be6 h THR 34 CO -0.23 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.29 2be6 h VAL 35 N -0.33 1.08 -0.23 3.16 2.07 -0.97 -0.20 116.25 120.83 2be6 h VAL 35 Ca 0.02 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.37 2be6 h VAL 35 Cb 0.34 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2be6 h VAL 35 CO -0.08 0.07 -0.24 0.24 0.02 0.00 0.00 177.57 177.58 2be6 h MET 36 N 0.06 -0.25 -0.71 1.57 2.86 -1.09 -1.91 114.93 115.47 2be6 h MET 36 Ca 0.03 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2be6 h MET 36 Cb 0.07 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 2be6 h MET 36 CO -0.01 -0.17 0.31 0.00 1.06 0.00 0.00 176.91 178.11 2be6 h ARG 37 N -0.26 1.02 0.00 1.72 3.08 -0.92 -1.41 114.38 117.61 2be6 h ARG 37 Ca 0.13 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2be6 h ARG 37 Cb 0.46 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2be6 h ARG 37 CO -0.37 0.81 -0.12 0.66 -1.07 0.00 0.00 179.97 179.88 2be6 h SER 38 N 1.01 0.00 -0.42 7.04 4.64 -0.31 -0.63 113.55 124.88 2be6 h SER 38 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2be6 h SER 38 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2be6 h SER 38 CO -0.03 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.23 2be6 n LEU 39 N -3.81 2.88 0.00 5.97 4.77 -0.78 -4.87 117.00 121.16 2be6 n LEU 39 Ca -0.02 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 2be6 n LEU 39 Cb 0.22 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2be6 n LEU 39 CO 0.31 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2be6 n GLY 40 N 0.95 0.52 3.95 -0.72 0.00 -0.24 -4.92 105.19 104.73 2be6 n GLY 40 Ca 0.16 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2be6 n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2be6 s GLN 41 N -0.28 2.84 -0.41 1.61 2.00 -0.59 -4.99 119.66 119.85 2be6 s GLN 41 Ca 0.00 -0.42 0.09 0.00 -2.00 0.00 0.00 55.36 53.03 2be6 s GLN 41 Cb 0.00 -2.44 0.29 0.00 0.80 0.00 0.00 33.01 31.66 2be6 s GLN 41 CO 0.00 -0.55 0.72 -1.71 -0.50 0.00 0.00 175.29 173.25 2be6 n ASN 42 N -2.33 -0.49 -4.75 6.67 4.05 -1.26 -3.62 115.26 113.52 2be6 n ASN 42 Ca 0.04 -3.02 -0.32 0.00 0.45 0.00 0.00 54.58 51.73 2be6 n ASN 42 Cb 0.58 0.13 0.09 0.00 1.23 0.00 0.00 39.78 41.81 2be6 n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2be6 s PRO 43 N -1.04 2.21 0.43 1.20 0.04 -1.26 -5.05 135.00 131.54 2be6 s PRO 43 Ca 0.34 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 2be6 s PRO 43 Cb 0.25 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 2be6 s PRO 43 CO -0.12 -1.70 0.66 0.95 0.04 0.00 0.00 177.00 176.84 2be6 s THR 44 N -2.65 4.32 0.26 1.26 -4.23 -1.26 -4.90 115.64 108.44 2be6 s THR 44 Ca 0.64 -0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 2be6 s THR 44 Cb -0.20 -3.60 0.33 0.00 1.34 0.00 0.00 72.50 70.37 2be6 s THR 44 CO 0.52 -0.44 1.61 1.05 -0.54 0.00 0.00 174.62 176.82 2be6 h GLU 45 N 0.44 0.07 -0.50 3.99 9.09 -1.99 -0.57 114.58 125.10 2be6 h GLU 45 Ca -0.47 -0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.82 2be6 h GLU 45 Cb 1.24 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.31 2be6 h GLU 45 CO 0.59 0.04 -0.16 0.00 0.05 0.00 0.00 179.01 179.53 2be6 h ALA 46 N 1.80 0.78 -0.24 1.06 0.00 -1.99 -1.58 119.26 119.08 2be6 h ALA 46 Ca 0.46 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2be6 h ALA 46 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2be6 h ALA 46 CO -0.77 0.66 0.14 0.93 0.00 0.00 0.00 179.25 180.22 2be6 h GLU 47 N 0.85 0.28 -0.57 0.00 5.08 -1.62 -2.48 114.58 116.13 2be6 h GLU 47 Ca 0.12 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2be6 h GLU 47 Cb 0.71 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2be6 h GLU 47 CO 0.05 0.18 0.16 -0.07 -1.00 0.00 0.00 179.01 178.34 2be6 h LEU 48 N 0.29 0.81 -0.50 1.33 3.38 -1.00 -1.98 115.31 117.63 2be6 h LEU 48 Ca 0.10 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2be6 h LEU 48 Cb -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2be6 h LEU 48 CO -0.05 0.77 -0.37 1.56 0.09 0.00 0.00 178.44 180.45 2be6 h GLN 49 N 0.84 0.83 -0.03 1.13 1.08 -1.19 -1.58 115.11 116.18 2be6 h GLN 49 Ca 0.19 -0.42 -0.13 0.00 -1.45 0.00 0.00 58.65 56.84 2be6 h GLN 49 Cb 0.27 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2be6 h GLN 49 CO -0.01 1.05 -0.60 -0.44 -0.95 0.00 0.00 178.83 177.89 2be6 h ASP 50 N 0.68 0.11 -0.40 1.46 3.45 -1.32 0.30 116.42 120.70 2be6 h ASP 50 Ca 0.06 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 2be6 h ASP 50 Cb 0.93 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.65 2be6 h ASP 50 CO 0.09 0.68 0.15 0.24 -1.57 0.00 0.00 179.24 178.82 2be6 h MET 51 N 0.07 0.61 -0.15 3.56 2.86 -1.22 -0.08 114.93 120.58 2be6 h MET 51 Ca -0.01 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2be6 h MET 51 Cb 1.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2be6 h MET 51 CO 0.08 0.59 0.08 0.82 1.06 0.00 0.00 176.91 179.54 2be6 h ILE 52 N 0.50 1.11 -0.85 -1.22 1.08 -1.06 -3.22 117.51 113.87 2be6 h ILE 52 Ca 0.13 -0.33 0.07 0.00 -0.39 0.00 0.00 64.86 64.35 2be6 h ILE 52 Cb 0.22 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 2be6 h ILE 52 CO -0.01 0.11 0.55 0.78 -0.69 0.00 0.00 178.15 178.89 2be6 h ASN 53 N 0.13 0.81 -0.59 1.72 2.35 -0.27 0.14 115.58 119.87 2be6 h ASN 53 Ca 0.05 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2be6 h ASN 53 Cb 0.10 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2be6 h ASN 53 CO -0.01 0.51 0.29 -0.33 -1.65 0.00 0.00 177.43 176.24 2be6 h GLU 54 N 0.91 0.88 0.00 0.81 4.39 -1.02 -3.33 114.58 117.23 2be6 h GLU 54 Ca 0.37 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.82 2be6 h GLU 54 Cb 0.27 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2be6 h GLU 54 CO -0.14 0.69 -1.89 0.28 -1.16 0.00 0.00 179.01 176.79 2be6 n VAL 55 N -4.35 0.52 -2.33 3.13 0.31 -0.78 -4.81 118.33 110.02 2be6 n VAL 55 Ca 0.06 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.51 2be6 n VAL 55 Cb 0.13 -0.24 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 2be6 n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2be6 s ASP 56 N -4.36 5.84 0.26 4.52 3.68 0.43 -4.68 116.67 122.36 2be6 s ASP 56 Ca -0.07 -0.65 0.14 0.00 2.13 0.00 0.00 52.55 54.10 2be6 s ASP 56 Cb 0.07 -2.56 0.09 0.00 -1.45 0.00 0.00 42.92 39.08 2be6 s ASP 56 CO 0.64 -2.06 1.45 0.00 0.13 0.00 0.00 175.17 175.33 2be6 h ALA 57 N 11.26 0.65 -0.02 3.66 0.00 -1.87 -3.16 119.26 129.78 2be6 h ALA 57 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2be6 h ALA 57 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2be6 h ALA 57 CO 1.30 0.74 -0.08 -0.40 0.00 0.00 0.00 179.25 180.81 2be6 n ASP 58 N -3.30 1.79 -0.80 0.00 3.85 -1.26 -4.96 116.55 111.86 2be6 n ASP 58 Ca 0.01 -1.50 -0.10 0.00 -0.71 0.00 0.00 54.79 52.48 2be6 n ASP 58 Cb 0.75 0.06 -0.04 0.00 -1.35 0.00 0.00 41.12 40.53 2be6 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2be6 n GLY 59 N 1.26 1.18 0.15 6.12 0.00 -1.19 -4.90 105.19 107.80 2be6 n GLY 59 Ca 0.16 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2be6 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2be6 n ASN 60 N 0.08 0.47 0.00 1.61 6.94 -1.26 -4.89 115.26 118.21 2be6 n ASN 60 Ca -0.10 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.20 2be6 n ASN 60 Cb 0.37 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2be6 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2be6 n GLY 61 N 1.01 0.38 3.20 4.83 0.00 -1.26 -5.06 105.19 108.29 2be6 n GLY 61 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2be6 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2be6 s THR 62 N -2.10 0.21 -0.27 2.61 -4.23 -1.26 -4.75 115.64 105.85 2be6 s THR 62 Ca 0.00 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.47 2be6 s THR 62 Cb 0.00 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 2be6 s THR 62 CO 0.00 -0.23 0.10 -0.63 -0.54 0.00 0.00 174.62 173.31 2be6 s ILE 63 N -3.99 4.35 0.66 2.99 1.01 -0.71 -4.67 121.20 120.84 2be6 s ILE 63 Ca 0.31 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2be6 s ILE 63 Cb 0.07 -3.12 0.10 0.00 0.01 0.00 0.00 42.46 39.53 2be6 s ILE 63 CO 0.07 0.22 0.92 1.51 0.00 0.00 0.00 174.94 177.67 2be6 s ASP 64 N 1.60 4.64 0.21 3.58 1.47 -1.26 0.04 116.67 126.95 2be6 s ASP 64 Ca 0.05 -0.36 -0.06 0.00 1.18 0.00 0.00 52.55 53.36 2be6 s ASP 64 Cb -0.16 -0.15 0.17 0.00 -0.34 0.00 0.00 42.92 42.43 2be6 s ASP 64 CO 0.04 -1.64 1.69 0.15 0.68 0.00 0.00 175.17 176.09 2be6 h PHE 65 N -0.31 1.07 -0.72 2.11 3.57 -2.00 -1.89 116.94 118.77 2be6 h PHE 65 Ca -0.37 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.00 2be6 h PHE 65 Cb 1.28 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 2be6 h PHE 65 CO 0.00 0.94 0.48 -1.35 -2.23 0.00 0.00 178.31 176.15 2be6 h PRO 66 N 0.92 0.88 -0.40 6.41 0.11 -1.95 0.43 132.00 138.39 2be6 h PRO 66 Ca 0.17 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 2be6 h PRO 66 Cb 0.50 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2be6 h PRO 66 CO 0.02 0.58 -0.05 0.93 -0.21 0.00 0.00 178.00 179.27 2be6 h GLU 67 N 0.90 0.75 0.13 1.05 5.08 -1.82 -1.26 114.58 119.41 2be6 h GLU 67 Ca 0.28 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2be6 h GLU 67 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2be6 h GLU 67 CO -0.08 0.86 -0.06 0.35 -1.00 0.00 0.00 179.01 179.08 2be6 h PHE 68 N 0.57 -0.16 -0.87 4.33 3.57 -0.88 -2.79 116.94 120.71 2be6 h PHE 68 Ca 0.11 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.78 2be6 h PHE 68 Cb 0.55 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 39.24 2be6 h PHE 68 CO 0.04 0.06 0.43 1.25 -2.23 0.00 0.00 178.31 177.86 2be6 h LEU 69 N -0.35 0.48 -0.36 0.59 5.85 -0.17 -0.10 115.31 121.24 2be6 h LEU 69 Ca -0.02 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2be6 h LEU 69 Cb 0.29 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2be6 h LEU 69 CO 0.03 0.15 0.17 0.74 -0.34 0.00 0.00 178.44 179.19 2be6 h THR 70 N 0.56 0.98 -0.43 1.05 2.02 -1.09 0.87 112.91 116.86 2be6 h THR 70 Ca 0.50 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 67.42 2be6 h THR 70 Cb 0.79 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2be6 h THR 70 CO -0.42 0.07 -0.27 -0.03 0.37 0.00 0.00 175.52 175.24 2be6 h MET 71 N 0.36 0.94 -0.03 6.66 1.85 -1.20 -2.41 114.93 121.10 2be6 h MET 71 Ca 0.15 -0.44 -0.25 0.00 -0.61 0.00 0.00 59.70 58.55 2be6 h MET 71 Cb 0.07 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 32.10 2be6 h MET 71 CO -0.11 1.10 -0.96 0.52 -0.40 0.00 0.00 176.91 177.07 2be6 h MET 72 N 0.78 0.65 -0.05 0.39 2.07 -0.77 -1.39 114.93 116.61 2be6 h MET 72 Ca 0.09 -0.65 -0.12 0.00 -2.07 0.00 0.00 59.70 56.94 2be6 h MET 72 Cb 0.86 0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.75 2be6 h MET 72 CO 0.08 1.25 -0.54 0.00 1.07 0.00 0.00 176.91 178.77 2be6 h ALA 73 N 0.53 1.01 -0.15 6.32 0.00 -0.85 -1.56 119.26 124.55 2be6 h ALA 73 Ca -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2be6 h ALA 73 Cb 1.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2be6 h ALA 73 CO 0.18 0.68 -0.06 -0.09 0.00 0.00 0.00 179.25 179.96 2be6 h ARG 74 N 0.11 0.31 -0.82 0.00 2.43 -1.37 -3.17 114.38 111.86 2be6 h ARG 74 Ca -0.00 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2be6 h ARG 74 Cb 0.98 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 2be6 h ARG 74 CO 0.08 0.62 0.54 -0.22 -1.51 0.00 0.00 179.97 179.48 2be6 h LYS 75 N -0.02 1.06 0.00 0.20 3.11 -1.08 -1.08 116.57 118.76 2be6 h LYS 75 Ca 0.03 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2be6 h LYS 75 Cb 0.52 -0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.51 2be6 h LYS 75 CO 0.02 0.70 0.34 1.98 -2.81 0.00 0.00 179.45 179.68 2be6 h MET 76 N 1.09 0.00 -2.42 1.90 4.05 -1.26 -3.49 114.93 114.80 2be6 h MET 76 Ca 0.31 0.00 -0.71 0.00 -0.28 0.00 0.00 59.70 59.02 2be6 h MET 76 Cb -0.09 0.00 -0.35 0.00 -0.80 0.00 0.00 31.60 30.36 2be6 h MET 76 CO -0.08 0.00 0.17 1.63 0.23 0.00 0.00 176.91 178.87 2be6 n LYS 77 N -2.60 3.97 0.00 0.39 5.02 -0.41 -5.11 118.16 119.41 2be6 n LYS 77 Ca -0.02 -4.69 0.00 0.00 -2.02 0.00 0.00 58.31 51.58 2be6 n LYS 77 Cb 0.38 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 2be6 n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2be6 n SER 81 N 0.47 0.00 -0.25 4.39 3.41 -1.26 -5.12 113.62 115.26 2be6 n SER 81 Ca 0.34 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 59.04 2be6 n SER 81 Cb 0.35 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.65 2be6 n SER 81 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2be6 h GLU 82 N 0.00 0.73 -0.12 4.33 4.81 -2.04 -2.42 114.58 119.87 2be6 h GLU 82 Ca 0.00 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2be6 h GLU 82 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2be6 h GLU 82 CO 0.00 0.49 -0.61 1.49 -0.73 0.00 0.00 179.01 179.64 2be6 h GLU 83 N 0.76 0.42 -0.14 1.92 4.57 -2.05 0.14 114.58 120.19 2be6 h GLU 83 Ca 0.40 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2be6 h GLU 83 Cb 0.52 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2be6 h GLU 83 CO -0.17 0.90 -0.16 0.93 -1.18 0.00 0.00 179.01 179.33 2be6 h GLU 84 N 0.31 0.36 -0.67 1.92 3.07 -1.96 -1.60 114.58 116.01 2be6 h GLU 84 Ca -0.01 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.61 2be6 h GLU 84 Cb 1.15 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 2be6 h GLU 84 CO 0.11 0.76 0.23 0.82 -1.40 0.00 0.00 179.01 179.53 2be6 h ILE 85 N -0.03 1.24 -0.71 3.13 2.04 -1.39 -0.71 117.51 121.08 2be6 h ILE 85 Ca 0.02 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 2be6 h ILE 85 Cb 0.70 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2be6 h ILE 85 CO 0.04 0.31 0.35 -0.09 0.00 0.00 0.00 178.15 178.76 2be6 h ARG 86 N 0.97 1.02 -0.67 2.37 2.43 -0.95 -0.30 114.38 119.26 2be6 h ARG 86 Ca 0.22 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2be6 h ARG 86 Cb 0.24 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2be6 h ARG 86 CO -0.01 0.80 0.12 1.49 -1.51 0.00 0.00 179.97 180.85 2be6 h GLU 87 N 0.99 1.10 -0.50 0.20 4.22 -0.74 -1.95 114.58 117.90 2be6 h GLU 87 Ca 0.25 -0.29 0.04 0.00 0.08 0.00 0.00 59.36 59.43 2be6 h GLU 87 Cb 0.11 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2be6 h GLU 87 CO -0.03 1.00 0.26 0.00 -2.18 0.00 0.00 179.01 178.06 2be6 h ALA 88 N 1.05 0.63 -0.27 2.92 0.00 -0.79 -0.49 119.26 122.32 2be6 h ALA 88 Ca 0.20 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2be6 h ALA 88 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2be6 h ALA 88 CO 0.01 -0.08 0.16 0.35 0.00 0.00 0.00 179.25 179.70 2be6 h PHE 89 N 0.51 0.31 -0.04 0.00 3.57 -0.81 -2.58 116.94 117.91 2be6 h PHE 89 Ca 0.21 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2be6 h PHE 89 Cb 0.10 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2be6 h PHE 89 CO -0.09 0.19 -0.21 0.00 -2.23 0.00 0.00 178.31 175.97 2be6 h ARG 90 N 0.34 0.06 -0.60 1.11 3.08 -0.94 0.15 114.38 117.58 2be6 h ARG 90 Ca 0.10 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2be6 h ARG 90 Cb -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2be6 h ARG 90 CO -0.04 0.27 0.37 0.28 -1.07 0.00 0.00 179.97 179.78 2be6 h VAL 91 N 0.06 1.07 -0.16 2.04 2.07 -0.71 -3.11 116.25 117.51 2be6 h VAL 91 Ca 0.01 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 2be6 h VAL 91 Cb 0.40 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2be6 h VAL 91 CO 0.03 0.13 -0.22 -0.26 0.02 0.00 0.00 177.57 177.27 2be6 h PHE 92 N 0.73 0.53 -0.73 1.57 -1.00 -1.02 -3.36 116.94 113.65 2be6 h PHE 92 Ca 0.24 -0.18 -0.73 0.00 2.81 0.00 0.00 57.97 60.11 2be6 h PHE 92 Cb 0.02 -0.11 -0.10 0.00 3.61 0.00 0.00 35.95 39.38 2be6 h PHE 92 CO -0.05 0.85 2.58 -3.47 -1.61 0.00 0.00 178.31 176.61 2be6 n ASP 93 N -4.46 4.81 0.14 2.17 4.64 0.42 -4.72 116.55 119.55 2be6 n ASP 93 Ca -0.06 -2.98 0.13 0.00 -1.38 0.00 0.00 54.79 50.50 2be6 n ASP 93 Cb 0.42 -1.55 0.37 0.00 -1.04 0.00 0.00 41.12 39.32 2be6 n ASP 93 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 2be6 h LYS 94 N 5.78 0.00 -0.11 -0.67 2.10 -1.73 -1.88 116.57 120.06 2be6 h LYS 94 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2be6 h LYS 94 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2be6 h LYS 94 CO 1.74 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 178.79 2be6 n ASP 95 N -2.46 1.39 -2.01 7.07 5.68 -1.26 -4.95 116.55 120.02 2be6 n ASP 95 Ca 0.05 -1.62 -0.21 0.00 -0.50 0.00 0.00 54.79 52.51 2be6 n ASP 95 Cb 0.43 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.29 2be6 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2be6 n GLY 96 N 1.10 0.73 0.46 6.12 0.00 -0.71 -4.87 105.19 108.02 2be6 n GLY 96 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2be6 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2be6 n ASN 97 N -1.69 1.40 0.00 1.61 6.94 -1.26 -4.92 115.26 117.34 2be6 n ASN 97 Ca -0.23 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 2be6 n ASN 97 Cb 0.69 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2be6 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2be6 n GLY 98 N 1.08 0.78 2.96 4.83 0.00 -1.26 -5.04 105.19 108.54 2be6 n GLY 98 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2be6 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2be6 s TYR 99 N -2.98 0.91 -0.31 1.61 1.51 -1.26 -3.96 117.35 112.87 2be6 s TYR 99 Ca 0.00 -0.26 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 2be6 s TYR 99 Cb 0.00 -0.71 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 2be6 s TYR 99 CO 0.00 -0.16 0.74 0.42 -1.11 0.00 0.00 175.55 175.44 2be6 s ILE 100 N 0.55 4.83 0.72 2.71 1.01 0.13 -4.83 121.20 126.32 2be6 s ILE 100 Ca -0.09 1.04 -0.07 0.00 0.00 0.00 0.00 60.65 61.53 2be6 s ILE 100 Cb -0.12 -4.11 0.07 0.00 0.01 0.00 0.00 42.46 38.31 2be6 s ILE 100 CO 0.01 -0.24 1.04 -0.94 0.00 0.00 0.00 174.94 174.81 2be6 s SER 101 N 1.65 4.72 0.24 3.58 1.04 -1.26 -1.55 113.70 122.13 2be6 s SER 101 Ca 0.30 0.48 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 2be6 s SER 101 Cb -0.14 -1.09 0.31 0.00 0.10 0.00 0.00 66.02 65.20 2be6 s SER 101 CO 0.13 -1.67 1.87 0.00 0.98 0.00 0.00 173.24 174.55 2be6 h ALA 102 N -0.68 1.20 -0.58 5.32 0.00 -1.96 -1.29 119.26 121.26 2be6 h ALA 102 Ca -0.44 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2be6 h ALA 102 Cb 1.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2be6 h ALA 102 CO 0.60 0.39 0.19 0.00 0.00 0.00 0.00 179.25 180.43 2be6 h ALA 103 N 1.39 0.76 -0.73 0.00 0.00 -1.99 0.25 119.26 118.95 2be6 h ALA 103 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2be6 h ALA 103 Cb 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2be6 h ALA 103 CO -0.14 0.42 0.40 0.93 0.00 0.00 0.00 179.25 180.86 2be6 h GLU 104 N 0.82 1.02 -0.71 0.00 5.08 -1.80 0.85 114.58 119.84 2be6 h GLU 104 Ca 0.19 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2be6 h GLU 104 Cb 0.27 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2be6 h GLU 104 CO -0.01 0.76 0.29 -0.07 -1.00 0.00 0.00 179.01 178.98 2be6 h LEU 105 N 1.00 0.97 -0.83 1.33 3.38 -0.86 -2.26 115.31 118.04 2be6 h LEU 105 Ca 0.26 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2be6 h LEU 105 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2be6 h LEU 105 CO -0.04 0.87 -0.12 0.03 0.09 0.00 0.00 178.44 179.26 2be6 h ARG 106 N 1.00 0.74 0.14 1.13 3.08 -0.67 0.23 114.38 120.04 2be6 h ARG 106 Ca 0.24 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2be6 h ARG 106 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2be6 h ARG 106 CO -0.02 0.84 -0.14 1.25 -1.07 0.00 0.00 179.97 180.82 2be6 h HIS 107 N 0.67 -0.37 -0.37 3.04 2.76 -0.43 -1.49 115.15 118.96 2be6 h HIS 107 Ca 0.11 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2be6 h HIS 107 Cb 0.59 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 2be6 h HIS 107 CO 0.03 -0.22 0.10 0.28 -1.30 0.00 0.00 177.93 176.82 2be6 h VAL 108 N -0.31 1.22 -0.45 5.26 2.07 -1.25 -2.91 116.25 119.87 2be6 h VAL 108 Ca 0.00 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2be6 h VAL 108 Cb 0.30 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2be6 h VAL 108 CO -0.04 0.26 0.12 -0.03 0.02 0.00 0.00 177.57 177.90 2be6 h MET 109 N 0.45 0.26 -0.32 1.57 -1.53 -0.77 -0.48 114.93 114.11 2be6 h MET 109 Ca 0.12 -0.02 -0.09 0.00 -3.44 0.00 0.00 59.70 56.28 2be6 h MET 109 Cb 0.29 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 2be6 h MET 109 CO 0.00 0.17 -0.16 1.79 0.14 0.00 0.00 176.91 178.85 2be6 h THR 110 N 0.27 1.25 0.00 -0.77 1.35 -1.27 -0.67 112.91 113.07 2be6 h THR 110 Ca 0.22 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2be6 h THR 110 Cb 0.26 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2be6 h THR 110 CO -0.26 0.38 0.00 0.78 -0.25 0.00 0.00 175.52 176.16 2be6 h ASN 111 N 0.52 0.00 0.47 5.36 4.21 -1.17 -2.52 115.58 122.45 2be6 h ASN 111 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2be6 h ASN 111 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2be6 h ASN 111 CO 0.04 0.00 -0.22 0.18 -1.29 0.00 0.00 177.43 176.13 2be6 n LEU 112 N -2.70 0.52 0.00 1.61 4.77 -0.26 -4.94 117.00 116.01 2be6 n LEU 112 Ca 0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2be6 n LEU 112 Cb 0.39 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2be6 n LEU 112 CO 0.29 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2be6 n GLY 113 N 1.38 0.57 3.86 -0.72 0.00 -0.95 -5.04 105.19 104.30 2be6 n GLY 113 Ca 0.11 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2be6 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2be6 s GLU 114 N -0.33 3.73 -0.35 1.61 0.41 -0.33 -5.02 118.70 118.43 2be6 s GLU 114 Ca 0.00 0.74 0.01 0.00 -0.41 0.00 0.00 54.97 55.31 2be6 s GLU 114 Cb 0.00 -2.16 0.14 0.00 -1.78 0.00 0.00 34.13 30.34 2be6 s GLU 114 CO 0.00 -0.38 0.30 0.15 -0.49 0.00 0.00 175.26 174.84 2be6 s LYS 115 N -4.64 0.54 0.08 1.61 3.01 -1.26 -4.22 119.74 114.86 2be6 s LYS 115 Ca 0.55 -0.87 0.07 0.00 -1.01 0.00 0.00 55.97 54.71 2be6 s LYS 115 Cb -0.10 -0.90 -0.04 0.00 -1.01 0.00 0.00 37.83 35.78 2be6 s LYS 115 CO 0.43 -1.17 -0.13 -0.51 0.51 0.00 0.00 175.35 174.48 2be6 s LEU 116 N 1.50 2.88 0.76 3.17 1.43 -1.26 -5.13 118.68 122.03 2be6 s LEU 116 Ca 0.16 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2be6 s LEU 116 Cb -0.17 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2be6 s LEU 116 CO -0.08 0.21 1.08 0.42 0.23 0.00 0.00 176.35 178.20 2be6 s THR 117 N -1.11 3.47 0.31 5.49 -4.23 -1.26 -4.82 115.64 113.50 2be6 s THR 117 Ca 0.19 0.48 0.03 0.00 -1.18 0.00 0.00 61.69 61.21 2be6 s THR 117 Cb -0.11 -3.13 0.29 0.00 1.34 0.00 0.00 72.50 70.90 2be6 s THR 117 CO 0.10 -0.62 1.87 0.44 -0.54 0.00 0.00 174.62 175.87 2be6 h ASP 118 N -1.01 0.84 -0.81 3.99 3.45 -2.00 -0.32 116.42 120.57 2be6 h ASP 118 Ca -0.45 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.04 2be6 h ASP 118 Cb 1.24 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.82 2be6 h ASP 118 CO 0.56 0.48 0.52 -0.33 -1.57 0.00 0.00 179.24 178.90 2be6 h GLU 119 N 0.92 1.08 -0.56 3.56 3.07 -1.99 -0.98 114.58 119.68 2be6 h GLU 119 Ca 0.44 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 59.11 2be6 h GLU 119 Cb 0.44 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2be6 h GLU 119 CO -0.20 0.74 -0.09 0.93 -1.40 0.00 0.00 179.01 178.98 2be6 h GLU 120 N 1.11 1.05 -0.39 2.33 5.08 -1.77 -1.16 114.58 120.82 2be6 h GLU 120 Ca 0.30 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2be6 h GLU 120 Cb -0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2be6 h GLU 120 CO -0.06 1.08 0.21 0.28 -1.00 0.00 0.00 179.01 179.52 2be6 h VAL 121 N 0.94 1.00 -0.53 3.13 2.07 -0.81 -0.08 116.25 121.97 2be6 h VAL 121 Ca 0.15 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2be6 h VAL 121 Cb 0.67 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2be6 h VAL 121 CO 0.05 0.08 0.19 0.44 0.02 0.00 0.00 177.57 178.35 2be6 h ASP 122 N 0.43 0.70 -0.43 0.57 3.32 -1.04 -1.49 116.42 118.48 2be6 h ASP 122 Ca 0.16 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2be6 h ASP 122 Cb 0.05 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2be6 h ASP 122 CO -0.10 0.65 0.22 -0.33 -1.72 0.00 0.00 179.24 177.96 2be6 h GLU 123 N 0.76 0.62 -0.27 3.56 5.08 -0.74 0.11 114.58 123.69 2be6 h GLU 123 Ca 0.18 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2be6 h GLU 123 Cb 0.18 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2be6 h GLU 123 CO -0.01 0.52 -0.03 0.52 -1.00 0.00 0.00 179.01 179.00 2be6 h MET 124 N 0.56 0.04 -0.21 2.33 2.86 -0.72 -1.23 114.93 118.57 2be6 h MET 124 Ca 0.15 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2be6 h MET 124 Cb 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2be6 h MET 124 CO -0.02 0.03 0.09 0.82 1.06 0.00 0.00 176.91 178.88 2be6 h ILE 125 N 0.04 1.16 -0.90 -1.22 2.04 -0.99 -3.03 117.51 114.61 2be6 h ILE 125 Ca 0.13 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2be6 h ILE 125 Cb 0.19 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2be6 h ILE 125 CO -0.25 0.15 0.59 0.03 0.00 0.00 0.00 178.15 178.67 2be6 h ARG 126 N 0.19 1.13 -0.39 2.37 3.08 -0.57 -0.08 114.38 120.10 2be6 h ARG 126 Ca 0.07 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2be6 h ARG 126 Cb 0.16 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2be6 h ARG 126 CO -0.01 0.75 0.01 1.49 -1.07 0.00 0.00 179.97 181.14 2be6 h GLU 127 N 1.16 0.61 0.00 0.04 4.81 -1.17 -3.02 114.58 117.01 2be6 h GLU 127 Ca 0.35 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2be6 h GLU 127 Cb -0.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2be6 h GLU 127 CO -0.09 0.62 -0.88 0.00 -0.73 0.00 0.00 179.01 177.93 2be6 h ALA 128 N 1.44 0.54 -0.62 2.92 0.00 -1.26 -3.45 119.26 118.83 2be6 h ALA 128 Ca 0.12 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.34 2be6 h ALA 128 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2be6 h ALA 128 CO 0.01 0.00 2.47 -3.47 0.00 0.00 0.00 179.25 178.26 2be6 n ASP 129 N -2.62 4.62 -0.30 0.00 4.64 -0.11 -4.79 116.55 117.99 2be6 n ASP 129 Ca 0.01 -2.90 -0.03 0.00 -1.38 0.00 0.00 54.79 50.49 2be6 n ASP 129 Cb 0.53 -1.71 0.09 0.00 -1.04 0.00 0.00 41.12 38.99 2be6 n ASP 129 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 2be6 h ILE 130 N 5.00 1.18 -0.01 5.18 2.04 -1.87 -2.92 117.51 126.11 2be6 h ILE 130 Ca 0.48 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2be6 h ILE 130 Cb 0.79 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2be6 h ILE 130 CO 1.59 0.19 -0.13 -0.90 0.00 0.00 0.00 178.15 178.91 2be6 n ASP 131 N -4.54 0.98 0.00 1.72 5.68 -1.26 -4.94 116.55 114.19 2be6 n ASP 131 Ca 0.09 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 2be6 n ASP 131 Cb 0.04 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2be6 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2be6 n GLY 132 N 1.25 0.58 0.02 6.12 0.00 -1.10 -4.92 105.19 107.15 2be6 n GLY 132 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2be6 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2be6 n ASP 133 N 0.00 0.08 0.00 1.61 3.85 -1.26 -4.91 116.55 115.92 2be6 n ASP 133 Ca 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 54.79 53.43 2be6 n ASP 133 Cb 0.00 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 2be6 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2be6 n GLY 134 N 1.14 0.69 3.22 6.12 0.00 -1.26 -5.03 105.19 110.06 2be6 n GLY 134 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2be6 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2be6 s GLN 135 N -0.18 1.17 -0.29 1.61 -0.21 -1.26 -4.76 119.66 115.74 2be6 s GLN 135 Ca 0.00 -1.61 -0.05 0.00 0.02 0.00 0.00 55.36 53.72 2be6 s GLN 135 Cb 0.00 0.11 0.02 0.00 1.00 0.00 0.00 33.01 34.14 2be6 s GLN 135 CO 0.00 -0.32 0.04 0.08 -2.12 0.00 0.00 175.29 172.97 2be6 s VAL 136 N -4.01 3.57 0.82 1.09 1.01 -0.59 -4.77 120.40 117.52 2be6 s VAL 136 Ca 0.34 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2be6 s VAL 136 Cb 0.07 -2.87 0.16 0.00 0.00 0.00 0.00 36.38 33.74 2be6 s VAL 136 CO 0.09 0.07 1.12 0.54 0.00 0.00 0.00 175.10 176.93 2be6 s ASN 137 N 1.42 3.84 0.16 3.32 2.20 -1.26 0.19 114.94 124.82 2be6 s ASN 137 Ca 0.01 -0.17 -0.14 0.00 -0.94 0.00 0.00 52.86 51.62 2be6 s ASN 137 Cb -0.17 -0.06 0.05 0.00 -2.00 0.00 0.00 41.25 39.06 2be6 s ASN 137 CO 0.00 -2.22 1.77 0.22 -2.94 0.00 0.00 177.10 173.93 2be6 h TYR 138 N -0.96 0.71 -0.33 1.54 5.03 -2.00 -0.83 116.97 120.13 2be6 h TYR 138 Ca -0.39 -0.02 -0.10 0.00 2.58 0.00 0.00 58.73 60.81 2be6 h TYR 138 Cb 1.25 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 2be6 h TYR 138 CO -0.59 0.53 -0.19 0.93 -1.32 0.00 0.00 178.16 177.52 2be6 h GLU 139 N 0.68 0.62 -0.33 1.82 3.07 -1.94 -0.54 114.58 117.96 2be6 h GLU 139 Ca 0.18 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.68 2be6 h GLU 139 Cb 0.06 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2be6 h GLU 139 CO -0.03 0.77 -0.37 0.93 -1.40 0.00 0.00 179.01 178.92 2be6 h GLU 140 N 0.55 0.77 -0.14 2.33 5.08 -1.82 -1.59 114.58 119.77 2be6 h GLU 140 Ca 0.09 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2be6 h GLU 140 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2be6 h GLU 140 CO 0.04 1.01 0.06 0.35 -1.00 0.00 0.00 179.01 179.48 2be6 h PHE 141 N 0.64 0.21 -0.90 4.33 3.04 -0.87 -1.67 116.94 121.72 2be6 h PHE 141 Ca 0.06 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 2be6 h PHE 141 Cb 0.91 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.32 2be6 h PHE 141 CO 0.05 0.28 0.48 0.28 -2.02 0.00 0.00 178.31 177.38 2be6 h VAL 142 N 0.09 1.26 -0.62 1.41 2.07 -1.06 -1.43 116.25 117.97 2be6 h VAL 142 Ca 0.05 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2be6 h VAL 142 Cb 0.15 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2be6 h VAL 142 CO -0.00 0.30 0.27 1.56 0.02 0.00 0.00 177.57 179.71 2be6 h GLN 143 N 1.26 0.88 -0.19 1.57 7.50 -1.09 0.66 115.11 125.71 2be6 h GLN 143 Ca 0.31 -0.13 -0.17 0.00 0.50 0.00 0.00 58.65 59.16 2be6 h GLN 143 Cb 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.42 2be6 h GLN 143 CO -0.05 0.71 -0.55 1.98 -1.50 0.00 0.00 178.83 179.42 2be6 h MET 144 N 0.88 0.70 -0.37 1.46 4.05 -0.85 -3.01 114.93 117.79 2be6 h MET 144 Ca 0.21 -0.51 -0.10 0.00 -0.28 0.00 0.00 59.70 59.03 2be6 h MET 144 Cb 0.14 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 2be6 h MET 144 CO -0.02 1.13 -0.16 0.52 0.23 0.00 0.00 176.91 178.61 2be6 h MET 145 N 0.41 0.69 -0.00 0.39 2.86 -0.95 -3.52 114.93 114.80 2be6 h MET 145 Ca -0.02 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2be6 h MET 145 Cb 1.18 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2be6 h MET 145 CO 0.12 0.81 0.00 2.41 1.06 0.00 0.00 176.91 181.31