#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3y s LEU 4 N 0.00 4.26 0.37 1.08 1.43 -1.26 -5.05 118.68 119.51 2f3y s LEU 4 Ca 0.00 1.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 2f3y s LEU 4 Cb 0.00 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 2f3y s LEU 4 CO 0.00 -0.51 0.52 0.42 0.23 0.00 0.00 176.35 177.00 2f3y s THR 5 N 2.10 3.79 0.22 5.49 -4.23 -1.26 -4.94 115.64 116.81 2f3y s THR 5 Ca 0.52 -0.95 -0.08 0.00 -1.18 0.00 0.00 61.69 60.00 2f3y s THR 5 Cb -0.21 -3.31 0.18 0.00 1.34 0.00 0.00 72.50 70.49 2f3y s THR 5 CO 0.20 -0.13 1.85 -0.08 -0.54 0.00 0.00 174.62 175.92 2f3y h GLU 6 N 0.77 0.91 -0.63 3.99 4.81 -1.99 -0.66 114.58 121.78 2f3y h GLU 6 Ca -0.44 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.67 2f3y h GLU 6 Cb 1.26 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2f3y h GLU 6 CO 0.51 0.60 0.15 1.49 -0.73 0.00 0.00 179.01 181.03 2f3y h GLU 7 N 0.93 1.01 -0.63 1.92 4.81 -1.99 -1.97 114.58 118.67 2f3y h GLU 7 Ca 0.32 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2f3y h GLU 7 Cb 0.06 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2f3y h GLU 7 CO -0.13 0.92 0.14 0.37 -0.73 0.00 0.00 179.01 179.58 2f3y h GLN 8 N 0.93 1.01 -0.64 1.92 5.75 -1.77 -0.65 115.11 121.67 2f3y h GLN 8 Ca 0.20 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2f3y h GLN 8 Cb 0.36 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2f3y h GLN 8 CO 0.00 0.92 0.19 0.82 -2.65 0.00 0.00 178.83 178.11 2f3y h ILE 9 N 0.93 1.24 -0.65 2.39 2.04 -0.99 -0.75 117.51 121.71 2f3y h ILE 9 Ca 0.20 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2f3y h ILE 9 Cb 0.37 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2f3y h ILE 9 CO 0.00 0.32 0.21 0.00 0.00 0.00 0.00 178.15 178.69 2f3y h ALA 10 N 1.26 0.86 -0.31 1.87 0.00 -0.82 0.59 119.26 122.70 2f3y h ALA 10 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2f3y h ALA 10 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2f3y h ALA 10 CO -0.01 0.52 0.09 0.93 0.00 0.00 0.00 179.25 180.78 2f3y h GLU 11 N 0.94 0.49 -0.24 0.00 5.08 -0.68 -1.63 114.58 118.54 2f3y h GLU 11 Ca 0.21 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2f3y h GLU 11 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2f3y h GLU 11 CO -0.01 0.55 -0.03 0.74 -1.00 0.00 0.00 179.01 179.26 2f3y h PHE 12 N 0.34 0.37 -0.12 4.33 0.05 -0.91 -1.24 116.94 119.77 2f3y h PHE 12 Ca 0.10 -0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.78 2f3y h PHE 12 Cb 0.27 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 2f3y h PHE 12 CO 0.01 0.40 -0.26 -0.22 -0.18 0.00 0.00 178.31 178.07 2f3y h LYS 13 N 0.35 0.22 -0.17 1.51 1.63 -0.44 -0.24 116.57 119.44 2f3y h LYS 13 Ca 0.08 -0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 2f3y h LYS 13 Cb 0.29 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2f3y h LYS 13 CO 0.01 0.47 -0.20 0.93 -3.45 0.00 0.00 179.45 177.21 2f3y h GLU 14 N 0.20 0.29 -0.01 1.90 5.08 -0.27 0.95 114.58 122.71 2f3y h GLU 14 Ca 0.03 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2f3y h GLU 14 Cb 0.57 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2f3y h GLU 14 CO 0.04 0.48 -0.37 0.00 -1.00 0.00 0.00 179.01 178.16 2f3y h ALA 15 N 1.53 0.06 -0.58 3.43 0.00 -1.11 -3.16 119.26 119.43 2f3y h ALA 15 Ca 0.05 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.52 2f3y h ALA 15 Cb 0.51 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2f3y h ALA 15 CO 0.03 0.19 0.29 0.35 0.00 0.00 0.00 179.25 180.11 2f3y h PHE 16 N -0.31 0.53 -0.38 0.00 3.04 -0.72 -2.01 116.94 117.09 2f3y h PHE 16 Ca -0.04 0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.96 2f3y h PHE 16 Cb 1.09 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 2f3y h PHE 16 CO 0.16 0.24 0.25 0.77 -2.02 0.00 0.00 178.31 177.71 2f3y h SER 17 N 0.55 0.35 -0.52 0.41 0.02 -0.89 0.12 113.55 113.59 2f3y h SER 17 Ca 0.27 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2f3y h SER 17 Cb 0.20 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 2f3y h SER 17 CO -0.19 0.24 0.19 0.25 -1.14 0.00 0.00 176.83 176.18 2f3y h LEU 18 N 0.41 0.78 0.18 5.07 5.85 -1.32 -3.11 115.31 123.16 2f3y h LEU 18 Ca 0.15 -0.12 -0.34 0.00 0.84 0.00 0.00 57.88 58.41 2f3y h LEU 18 Cb 0.10 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.94 2f3y h LEU 18 CO -0.03 0.73 -1.70 -0.26 -0.34 0.00 0.00 178.44 176.83 2f3y h PHE 19 N 0.83 0.69 -0.41 1.25 0.04 -1.27 -3.39 116.94 114.68 2f3y h PHE 19 Ca 0.19 -0.50 -0.72 0.00 2.80 0.00 0.00 57.97 59.73 2f3y h PHE 19 Cb 0.22 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 2f3y h PHE 19 CO 0.01 1.62 2.81 -3.47 -0.60 0.00 0.00 178.31 178.68 2f3y n ASP 20 N -3.57 4.23 -0.21 2.17 4.64 0.32 -4.63 116.55 119.51 2f3y n ASP 20 Ca -0.23 -2.92 0.01 0.00 -1.38 0.00 0.00 54.79 50.27 2f3y n ASP 20 Cb 1.07 -1.61 0.11 0.00 -1.04 0.00 0.00 41.12 39.66 2f3y n ASP 20 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2f3y h LYS 21 N 5.92 0.15 -0.03 -0.67 1.79 -1.76 -0.93 116.57 121.05 2f3y h LYS 21 Ca 0.52 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2f3y h LYS 21 Cb 0.64 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2f3y h LYS 21 CO 1.81 0.10 0.00 -0.40 -1.08 0.00 0.00 179.45 179.88 2f3y n ASP 22 N -5.24 0.63 -2.80 0.86 3.85 -1.26 -4.92 116.55 107.67 2f3y n ASP 22 Ca 0.09 -1.32 -0.20 0.00 -0.71 0.00 0.00 54.79 52.66 2f3y n ASP 22 Cb 0.36 -0.01 0.01 0.00 -1.35 0.00 0.00 41.12 40.12 2f3y n ASP 22 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2f3y n GLY 23 N 1.02 -0.51 0.45 6.12 0.00 -0.35 -4.86 105.19 107.06 2f3y n GLY 23 Ca 0.19 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.39 2f3y n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f3y n ASP 24 N -2.22 1.37 0.00 1.61 5.75 -1.26 -4.91 116.55 116.89 2f3y n ASP 24 Ca -0.14 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 2f3y n ASP 24 Cb 0.62 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2f3y n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f3y n GLY 25 N 1.08 0.93 2.99 6.12 0.00 -1.26 -5.04 105.19 110.00 2f3y n GLY 25 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2f3y n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f3y s THR 26 N -2.67 0.45 -0.25 2.61 -4.23 -1.26 -3.76 115.64 106.52 2f3y s THR 26 Ca 0.00 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 59.90 2f3y s THR 26 Cb 0.00 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 2f3y s THR 26 CO 0.00 -0.03 0.29 -0.63 -0.54 0.00 0.00 174.62 173.70 2f3y s ILE 27 N -0.50 5.25 0.43 2.99 1.01 0.41 -4.79 121.20 126.00 2f3y s ILE 27 Ca -0.02 0.41 0.08 0.00 0.00 0.00 0.00 60.65 61.12 2f3y s ILE 27 Cb -0.04 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.82 2f3y s ILE 27 CO -0.00 0.24 0.59 0.42 0.00 0.00 0.00 174.94 176.18 2f3y s THR 28 N 1.66 2.97 0.17 2.92 -4.23 -1.26 -2.06 115.64 115.81 2f3y s THR 28 Ca 0.12 -0.98 -0.14 0.00 -1.18 0.00 0.00 61.69 59.51 2f3y s THR 28 Cb -0.15 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.76 2f3y s THR 28 CO 0.09 0.00 1.78 0.74 -0.54 0.00 0.00 174.62 176.68 2f3y h THR 29 N 0.60 0.94 -0.22 3.99 2.02 -1.93 -0.51 112.91 117.79 2f3y h THR 29 Ca -0.40 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 66.64 2f3y h THR 29 Cb 1.28 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2f3y h THR 29 CO 0.45 0.08 0.11 0.50 0.37 0.00 0.00 175.52 177.04 2f3y h LYS 30 N 0.44 0.23 -0.70 6.66 3.64 -1.99 -0.26 116.57 124.59 2f3y h LYS 30 Ca 0.21 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2f3y h LYS 30 Cb 0.14 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2f3y h LYS 30 CO -0.16 0.15 0.21 0.93 -2.27 0.00 0.00 179.45 178.31 2f3y h GLU 31 N 0.24 1.09 -0.78 1.90 5.08 -1.79 -2.11 114.58 118.21 2f3y h GLU 31 Ca 0.09 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2f3y h GLU 31 Cb 0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2f3y h GLU 31 CO -0.06 0.95 0.28 1.25 -1.00 0.00 0.00 179.01 180.43 2f3y h LEU 32 N 1.03 1.10 -0.57 1.33 5.85 -0.80 -2.14 115.31 121.10 2f3y h LEU 32 Ca 0.22 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2f3y h LEU 32 Cb 0.32 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2f3y h LEU 32 CO -0.00 0.99 0.33 1.23 -0.34 0.00 0.00 178.44 180.64 2f3y h GLY 33 N 1.14 0.81 0.97 3.75 0.00 -0.62 0.10 103.07 109.23 2f3y h GLY 33 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2f3y h GLY 33 CO -0.02 0.18 -0.02 -0.84 0.00 0.00 0.00 176.54 175.85 2f3y h THR 34 N 0.64 0.95 -0.44 4.70 2.02 -0.98 -1.04 112.91 118.77 2f3y h THR 34 Ca 0.24 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.36 2f3y h THR 34 Cb 0.08 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2f3y h THR 34 CO -0.13 0.00 0.05 0.58 0.37 0.00 0.00 175.52 176.39 2f3y h VAL 35 N -0.04 1.25 -0.70 3.16 2.07 -1.13 -1.99 116.25 118.87 2f3y h VAL 35 Ca 0.00 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2f3y h VAL 35 Cb 0.04 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2f3y h VAL 35 CO -0.01 0.33 0.40 0.24 0.02 0.00 0.00 177.57 178.55 2f3y h MET 36 N 0.59 0.71 -0.29 1.57 2.86 -0.64 -1.03 114.93 118.70 2f3y h MET 36 Ca 0.13 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2f3y h MET 36 Cb 0.42 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2f3y h MET 36 CO 0.01 0.47 -0.15 0.00 1.06 0.00 0.00 176.91 178.30 2f3y h ARG 37 N 0.73 0.51 0.00 1.72 3.08 -1.03 -1.16 114.38 118.23 2f3y h ARG 37 Ca 0.31 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2f3y h ARG 37 Cb 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2f3y h ARG 37 CO -0.18 0.65 0.00 0.66 -1.07 0.00 0.00 179.97 180.03 2f3y h SER 38 N 0.46 0.00 -0.23 7.04 4.64 -0.44 -1.18 113.55 123.84 2f3y h SER 38 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2f3y h SER 38 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2f3y h SER 38 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 2f3y n LEU 39 N -2.68 2.90 0.00 5.97 4.77 -0.61 -4.86 117.00 122.48 2f3y n LEU 39 Ca -0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2f3y n LEU 39 Cb 0.18 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2f3y n LEU 39 CO 0.20 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2f3y n GLY 40 N 1.38 0.75 3.98 -0.72 0.00 -0.45 -4.73 105.19 105.41 2f3y n GLY 40 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2f3y n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f3y s GLN 41 N -0.69 2.72 -0.44 1.61 -1.52 -0.54 -4.99 119.66 115.80 2f3y s GLN 41 Ca 0.00 -0.81 0.07 0.00 -1.95 0.00 0.00 55.36 52.67 2f3y s GLN 41 Cb 0.00 -2.56 0.25 0.00 -0.22 0.00 0.00 33.01 30.48 2f3y s GLN 41 CO 0.00 -0.51 0.74 -1.71 -0.25 0.00 0.00 175.29 173.55 2f3y n ASN 42 N -2.17 -1.50 -4.78 5.90 5.15 -1.26 -3.71 115.26 112.88 2f3y n ASN 42 Ca 0.06 -3.06 -0.36 0.00 -0.60 0.00 0.00 54.58 50.63 2f3y n ASN 42 Cb 0.59 0.74 -0.03 0.00 -0.53 0.00 0.00 39.78 40.54 2f3y n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2f3y s PRO 43 N -0.19 4.00 0.90 1.20 0.04 -1.26 -5.06 135.00 134.63 2f3y s PRO 43 Ca 0.33 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 2f3y s PRO 43 Cb 0.21 -2.39 0.15 0.00 0.04 0.00 0.00 34.50 32.52 2f3y s PRO 43 CO -0.18 -0.29 1.26 0.95 0.04 0.00 0.00 177.00 178.79 2f3y s THR 44 N -1.74 2.01 0.20 1.26 -4.23 -1.26 -4.82 115.64 107.05 2f3y s THR 44 Ca 0.61 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.99 2f3y s THR 44 Cb -0.21 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2f3y s THR 44 CO 0.26 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 176.12 2f3y h GLU 45 N -1.40 0.85 -0.66 3.99 4.81 -1.99 -1.12 114.58 119.05 2f3y h GLU 45 Ca -0.45 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 2f3y h GLU 45 Cb 1.27 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2f3y h GLU 45 CO 0.48 0.56 0.35 0.00 -0.73 0.00 0.00 179.01 179.67 2f3y h ALA 46 N 1.25 0.85 -0.68 2.92 0.00 -1.99 -0.94 119.26 120.67 2f3y h ALA 46 Ca 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2f3y h ALA 46 Cb -0.07 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2f3y h ALA 46 CO -0.07 0.39 0.17 0.93 0.00 0.00 0.00 179.25 180.67 2f3y h GLU 47 N 0.91 1.09 -0.54 0.00 5.08 -1.80 -1.43 114.58 117.89 2f3y h GLU 47 Ca 0.23 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2f3y h GLU 47 Cb 0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2f3y h GLU 47 CO -0.03 0.97 0.08 -0.07 -1.00 0.00 0.00 179.01 178.95 2f3y h LEU 48 N 1.02 0.86 -0.91 1.33 3.38 -0.91 -1.60 115.31 118.49 2f3y h LEU 48 Ca 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2f3y h LEU 48 Cb 0.37 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2f3y h LEU 48 CO 0.00 0.91 0.43 1.56 0.09 0.00 0.00 178.44 181.43 2f3y h GLN 49 N 0.78 1.21 -0.50 1.13 4.20 -0.97 -1.13 115.11 119.83 2f3y h GLN 49 Ca 0.16 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2f3y h GLN 49 Cb 0.42 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2f3y h GLN 49 CO 0.01 0.91 0.19 -0.44 -0.67 0.00 0.00 178.83 178.84 2f3y h ASP 50 N 1.21 0.69 -0.80 1.46 3.45 -0.98 0.76 116.42 122.21 2f3y h ASP 50 Ca 0.30 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 2f3y h ASP 50 Cb 0.08 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.64 2f3y h ASP 50 CO -0.04 0.68 0.39 0.24 -1.57 0.00 0.00 179.24 178.94 2f3y h MET 51 N 0.67 1.16 -0.30 3.56 2.86 -0.80 -2.39 114.93 119.68 2f3y h MET 51 Ca 0.17 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2f3y h MET 51 Cb 0.20 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2f3y h MET 51 CO -0.01 0.89 -0.22 0.82 1.06 0.00 0.00 176.91 179.44 2f3y h ILE 52 N 1.15 1.30 -0.82 -1.22 1.08 -0.96 -3.18 117.51 114.85 2f3y h ILE 52 Ca 0.28 -1.37 0.14 0.00 -0.39 0.00 0.00 64.86 63.52 2f3y h ILE 52 Cb 0.11 1.51 -0.06 0.00 -3.07 0.00 0.00 36.82 35.31 2f3y h ILE 52 CO -0.04 0.44 0.54 0.78 -0.69 0.00 0.00 178.15 179.18 2f3y h ASN 53 N 0.44 0.54 0.60 1.72 -0.26 -0.41 0.20 115.58 118.41 2f3y h ASN 53 Ca 0.06 0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 2f3y h ASN 53 Cb 0.78 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.95 2f3y h ASN 53 CO 0.06 0.28 -0.17 -0.33 -1.06 0.00 0.00 177.43 176.21 2f3y h GLU 54 N 0.58 0.00 0.00 0.81 5.08 -1.42 -3.24 114.58 116.39 2f3y h GLU 54 Ca 0.41 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2f3y h GLU 54 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2f3y h GLU 54 CO -0.16 0.17 -1.74 0.28 -1.00 0.00 0.00 179.01 176.57 2f3y n VAL 55 N -3.54 0.49 -2.30 3.13 0.31 -0.58 -4.84 118.33 111.00 2f3y n VAL 55 Ca -0.01 -0.43 -0.35 0.00 -0.01 0.00 0.00 64.34 63.54 2f3y n VAL 55 Cb 0.32 -0.31 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 2f3y n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2f3y s ASP 56 N -4.08 5.86 0.40 4.52 2.15 0.59 -4.77 116.67 121.33 2f3y s ASP 56 Ca -0.05 -2.01 0.08 0.00 0.43 0.00 0.00 52.55 50.99 2f3y s ASP 56 Cb 0.06 -2.58 0.86 0.00 -0.30 0.00 0.00 42.92 40.95 2f3y s ASP 56 CO 0.52 -2.21 2.02 0.00 -0.17 0.00 0.00 175.17 175.33 2f3y h ALA 57 N 8.77 1.76 -0.24 3.66 0.00 -1.88 -2.35 119.26 128.98 2f3y h ALA 57 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2f3y h ALA 57 Cb 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2f3y h ALA 57 CO 1.33 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 180.35 2f3y n ASP 58 N -4.47 2.42 -2.31 0.00 5.68 -1.26 -4.97 116.55 111.63 2f3y n ASP 58 Ca 0.06 -1.83 -0.21 0.00 -0.50 0.00 0.00 54.79 52.31 2f3y n ASP 58 Cb 0.16 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 39.97 2f3y n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f3y n GLY 59 N 1.29 -0.31 0.59 6.12 0.00 -0.89 -4.88 105.19 107.10 2f3y n GLY 59 Ca 0.17 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2f3y n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f3y n ASN 60 N -1.93 1.72 0.00 1.61 0.23 -1.26 -4.91 115.26 110.71 2f3y n ASN 60 Ca -0.24 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 2f3y n ASN 60 Cb 0.69 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2f3y n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2f3y n GLY 61 N 1.07 0.91 3.19 4.83 0.00 -1.26 -5.04 105.19 108.88 2f3y n GLY 61 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2f3y n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f3y s THR 62 N -2.89 0.06 -0.20 2.61 -4.23 -1.26 -4.66 115.64 105.07 2f3y s THR 62 Ca 0.00 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2f3y s THR 62 Cb 0.00 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 2f3y s THR 62 CO 0.00 -0.27 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.17 2f3y s ILE 63 N -4.09 3.85 0.57 2.99 1.01 -0.87 -4.66 121.20 120.01 2f3y s ILE 63 Ca 0.29 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.68 2f3y s ILE 63 Cb 0.07 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.88 2f3y s ILE 63 CO 0.06 0.43 0.79 1.51 0.00 0.00 0.00 174.94 177.72 2f3y s ASP 64 N 1.06 5.10 0.13 3.58 1.47 -1.26 -0.45 116.67 126.31 2f3y s ASP 64 Ca 0.02 -0.75 -0.18 0.00 1.18 0.00 0.00 52.55 52.82 2f3y s ASP 64 Cb -0.14 0.16 -0.03 0.00 -0.34 0.00 0.00 42.92 42.56 2f3y s ASP 64 CO 0.01 -1.32 1.75 0.15 0.68 0.00 0.00 175.17 176.45 2f3y h PHE 65 N 0.17 0.41 -0.88 2.11 -0.00 -2.00 -1.15 116.94 115.60 2f3y h PHE 65 Ca -0.32 -0.00 0.04 0.00 -0.00 0.00 0.00 57.97 57.69 2f3y h PHE 65 Cb 1.29 -0.13 -0.06 0.00 -0.00 0.00 0.00 35.95 37.05 2f3y h PHE 65 CO 0.37 0.31 0.56 -1.35 -0.00 0.00 0.00 178.31 178.20 2f3y h PRO 66 N 0.39 1.04 -0.62 6.41 0.11 -1.96 0.20 132.00 137.57 2f3y h PRO 66 Ca 0.11 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 2f3y h PRO 66 Cb 0.02 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 2f3y h PRO 66 CO -0.02 0.69 0.20 0.93 -0.21 0.00 0.00 178.00 179.58 2f3y h GLU 67 N 1.07 0.97 -0.05 1.05 5.08 -1.84 -1.27 114.58 119.59 2f3y h GLU 67 Ca 0.36 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2f3y h GLU 67 Cb 0.05 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 2f3y h GLU 67 CO -0.13 0.86 0.02 0.35 -1.00 0.00 0.00 179.01 179.10 2f3y h PHE 68 N 0.90 0.07 -0.80 4.33 3.57 -0.43 -2.52 116.94 122.06 2f3y h PHE 68 Ca 0.20 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2f3y h PHE 68 Cb 0.29 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 2f3y h PHE 68 CO 0.02 0.20 0.51 -0.07 -2.23 0.00 0.00 178.31 176.74 2f3y h LEU 69 N -0.07 0.85 -0.36 0.59 3.38 -0.49 -0.04 115.31 119.18 2f3y h LEU 69 Ca 0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2f3y h LEU 69 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2f3y h LEU 69 CO -0.00 0.59 0.22 0.74 0.09 0.00 0.00 178.44 180.08 2f3y h THR 70 N 1.01 1.06 -0.25 0.22 2.02 -1.11 0.48 112.91 116.34 2f3y h THR 70 Ca 0.32 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 2f3y h THR 70 Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2f3y h THR 70 CO -0.11 0.08 -0.11 -0.03 0.37 0.00 0.00 175.52 175.73 2f3y h MET 71 N 0.46 0.51 -0.59 6.66 1.85 -1.06 -2.15 114.93 120.61 2f3y h MET 71 Ca 0.14 -0.22 -0.05 0.00 -0.61 0.00 0.00 59.70 58.96 2f3y h MET 71 Cb -0.02 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 2f3y h MET 71 CO -0.05 0.77 0.18 0.52 -0.40 0.00 0.00 176.91 177.93 2f3y h MET 72 N 0.24 0.92 -0.80 0.39 2.07 -0.87 -1.77 114.93 115.12 2f3y h MET 72 Ca 0.06 -0.20 -0.04 0.00 -2.07 0.00 0.00 59.70 57.44 2f3y h MET 72 Cb 0.60 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 30.17 2f3y h MET 72 CO 0.03 0.83 0.33 0.00 1.07 0.00 0.00 176.91 179.17 2f3y h ALA 73 N 1.05 1.04 -0.38 6.32 0.00 -0.90 -1.68 119.26 124.71 2f3y h ALA 73 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2f3y h ALA 73 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2f3y h ALA 73 CO -0.01 0.66 0.15 -0.09 0.00 0.00 0.00 179.25 179.96 2f3y h ARG 74 N 1.16 0.56 -0.06 0.00 2.43 -1.07 -2.34 114.38 115.06 2f3y h ARG 74 Ca 0.27 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2f3y h ARG 74 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2f3y h ARG 74 CO -0.02 0.54 -0.33 0.87 -1.51 0.00 0.00 179.97 179.51 2f3y h LYS 75 N 0.46 0.11 -0.07 0.20 1.57 -1.12 -2.93 116.57 114.80 2f3y h LYS 75 Ca 0.13 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2f3y h LYS 75 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2f3y h LYS 75 CO -0.01 0.44 -0.56 1.98 -0.57 0.00 0.00 179.45 180.73 2f3y h MET 76 N 0.10 0.21 0.00 3.15 4.05 -1.03 -2.98 114.93 118.43 2f3y h MET 76 Ca 0.01 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2f3y h MET 76 Cb 0.64 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2f3y h MET 76 CO 0.05 0.71 0.00 1.57 0.23 0.00 0.00 176.91 179.47 2f3y h LYS 77 N 0.16 0.00 -3.60 0.39 2.10 -1.23 -3.31 116.57 111.08 2f3y h LYS 77 Ca -0.00 0.00 -0.76 0.00 -2.00 0.00 0.00 60.65 57.89 2f3y h LYS 77 Cb 1.03 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.19 2f3y h LYS 77 CO 0.08 0.00 1.84 -3.47 -2.00 0.00 0.00 179.45 175.90 2f3y n ASP 78 N -3.02 5.21 0.34 7.07 2.03 -1.13 -4.80 116.55 122.26 2f3y n ASP 78 Ca 0.01 -3.12 0.23 0.00 0.52 0.00 0.00 54.79 52.43 2f3y n ASP 78 Cb 0.31 -1.47 1.22 0.00 -0.72 0.00 0.00 41.12 40.46 2f3y n ASP 78 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2f3y h THR 79 N 3.82 0.00 -0.01 5.18 1.35 -1.81 -1.82 112.91 119.62 2f3y h THR 79 Ca 0.37 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 2f3y h THR 79 Cb 0.66 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2f3y h THR 79 CO 1.55 0.00 -0.07 0.47 -0.25 0.00 0.00 175.52 177.22 2f3y n ASP 80 N -3.07 1.07 -4.74 5.36 8.00 -1.26 -4.90 116.55 117.00 2f3y n ASP 80 Ca -0.03 -1.17 -0.41 0.00 0.71 0.00 0.00 54.79 53.89 2f3y n ASP 80 Cb 0.07 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 2f3y n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2f3y s SER 81 N -2.18 7.44 0.00 -2.24 0.15 -0.69 -4.94 113.70 111.25 2f3y s SER 81 Ca 0.35 2.02 0.00 0.00 0.70 0.00 0.00 55.95 59.02 2f3y s SER 81 Cb 0.21 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2f3y s SER 81 CO 0.40 -0.05 0.38 -0.62 1.20 0.00 0.00 173.24 174.55 2f3y n GLU 82 N 1.96 0.92 -0.19 5.44 1.02 -1.26 -4.73 120.64 123.80 2f3y n GLU 82 Ca 0.00 -0.38 -0.03 0.00 -0.02 0.00 0.00 57.16 56.73 2f3y n GLU 82 Cb 0.47 -0.88 0.16 0.00 -0.02 0.00 0.00 31.44 31.17 2f3y n GLU 82 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2f3y h GLU 83 N 0.00 0.95 -0.06 3.49 4.57 -1.99 -1.10 114.58 120.44 2f3y h GLU 83 Ca 0.00 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 2f3y h GLU 83 Cb 0.00 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2f3y h GLU 83 CO 0.00 0.80 -0.47 0.93 -1.18 0.00 0.00 179.01 179.09 2f3y h GLU 84 N 0.93 0.15 -0.40 1.92 4.39 -1.99 -0.66 114.58 118.92 2f3y h GLU 84 Ca 0.21 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 2f3y h GLU 84 Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2f3y h GLU 84 CO -0.01 0.59 -0.32 0.82 -1.16 0.00 0.00 179.01 178.93 2f3y h ILE 85 N 0.12 1.27 -0.53 3.13 2.04 -1.74 -0.86 117.51 120.95 2f3y h ILE 85 Ca 0.01 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 2f3y h ILE 85 Cb 0.88 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2f3y h ILE 85 CO 0.07 0.50 0.09 0.03 0.00 0.00 0.00 178.15 178.84 2f3y h ARG 86 N 0.75 0.83 -0.60 2.37 3.08 -0.89 -0.52 114.38 119.40 2f3y h ARG 86 Ca 0.07 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 2f3y h ARG 86 Cb 0.91 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 2f3y h ARG 86 CO 0.08 0.77 0.05 0.93 -1.07 0.00 0.00 179.97 180.73 2f3y h GLU 87 N 0.79 1.03 -0.45 0.04 4.39 -0.83 -2.03 114.58 117.52 2f3y h GLU 87 Ca 0.17 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 2f3y h GLU 87 Cb 0.34 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2f3y h GLU 87 CO 0.00 0.99 -0.06 0.00 -1.16 0.00 0.00 179.01 178.78 2f3y h ALA 88 N 1.00 1.06 -0.71 3.43 0.00 -0.71 -1.96 119.26 121.36 2f3y h ALA 88 Ca 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2f3y h ALA 88 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2f3y h ALA 88 CO 0.02 0.58 0.35 0.35 0.00 0.00 0.00 179.25 180.55 2f3y h PHE 89 N 0.71 1.01 0.00 0.00 3.57 -0.78 -1.80 116.94 119.65 2f3y h PHE 89 Ca 0.13 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 2f3y h PHE 89 Cb 0.52 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2f3y h PHE 89 CO 0.03 0.75 -0.23 0.00 -2.23 0.00 0.00 178.31 176.62 2f3y h ARG 90 N 0.98 0.00 -0.44 1.11 3.08 -0.98 0.10 114.38 118.24 2f3y h ARG 90 Ca 0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 2f3y h ARG 90 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2f3y h ARG 90 CO -0.03 0.23 0.03 0.28 -1.07 0.00 0.00 179.97 179.41 2f3y h VAL 91 N 0.00 1.25 -0.01 2.04 2.07 -0.58 -3.28 116.25 117.74 2f3y h VAL 91 Ca -0.00 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 2f3y h VAL 91 Cb 0.54 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2f3y h VAL 91 CO 0.03 0.34 -0.25 -0.26 0.02 0.00 0.00 177.57 177.45 2f3y h PHE 92 N 0.60 0.27 0.00 1.57 0.04 -1.02 -3.40 116.94 115.00 2f3y h PHE 92 Ca 0.13 -0.14 -0.67 0.00 2.80 0.00 0.00 57.97 60.09 2f3y h PHE 92 Cb 0.44 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.57 2f3y h PHE 92 CO 0.03 0.92 2.73 -3.47 -0.60 0.00 0.00 178.31 177.93 2f3y n ASP 93 N -4.51 3.40 -0.30 2.17 4.64 0.32 -4.76 116.55 117.51 2f3y n ASP 93 Ca -0.10 -2.73 0.06 0.00 -1.38 0.00 0.00 54.79 50.64 2f3y n ASP 93 Cb 0.50 -1.37 0.21 0.00 -1.04 0.00 0.00 41.12 39.42 2f3y n ASP 93 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 2f3y h LYS 94 N 6.90 0.68 -0.16 -0.67 1.79 -1.78 -2.00 116.57 121.34 2f3y h LYS 94 Ca 0.51 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 2f3y h LYS 94 Cb 0.62 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 2f3y h LYS 94 CO 1.91 0.45 0.00 -0.40 -1.08 0.00 0.00 179.45 180.32 2f3y n ASP 95 N -4.81 1.78 -2.12 0.86 5.75 -1.26 -4.95 116.55 111.80 2f3y n ASP 95 Ca 0.16 -1.70 -0.21 0.00 -0.01 0.00 0.00 54.79 53.03 2f3y n ASP 95 Cb 0.39 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.34 2f3y n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f3y n GLY 96 N 1.17 0.37 0.53 6.12 0.00 -0.75 -4.88 105.19 107.74 2f3y n GLY 96 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2f3y n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f3y n ASN 97 N -1.78 1.59 0.00 1.61 6.94 -1.26 -4.91 115.26 117.45 2f3y n ASN 97 Ca -0.23 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 2f3y n ASN 97 Cb 0.68 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2f3y n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2f3y n GLY 98 N 1.13 0.65 2.95 4.83 0.00 -1.26 -5.03 105.19 108.46 2f3y n GLY 98 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2f3y n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2f3y s TYR 99 N -2.40 0.65 -0.31 1.61 2.02 -1.26 -3.94 117.35 113.72 2f3y s TYR 99 Ca 0.00 -0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 56.41 2f3y s TYR 99 Cb 0.00 -0.49 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 2f3y s TYR 99 CO 0.00 -0.07 0.38 0.42 -1.57 0.00 0.00 175.55 174.70 2f3y s ILE 100 N 0.24 5.16 0.64 2.71 1.01 0.20 -4.80 121.20 126.36 2f3y s ILE 100 Ca -0.03 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 2f3y s ILE 100 Cb -0.07 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2f3y s ILE 100 CO -0.00 0.03 0.94 -0.94 0.00 0.00 0.00 174.94 174.97 2f3y s SER 101 N 1.69 5.12 0.26 3.58 1.04 -1.26 -1.35 113.70 122.77 2f3y s SER 101 Ca 0.14 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 2f3y s SER 101 Cb -0.16 -1.24 0.29 0.00 0.10 0.00 0.00 66.02 65.01 2f3y s SER 101 CO 0.11 -1.36 1.90 0.00 0.98 0.00 0.00 173.24 174.86 2f3y h ALA 102 N -0.36 1.25 -0.46 5.32 0.00 -1.95 -0.85 119.26 122.22 2f3y h ALA 102 Ca -0.44 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2f3y h ALA 102 Cb 1.30 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2f3y h ALA 102 CO 0.59 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 180.44 2f3y h ALA 103 N 1.35 1.09 -0.41 0.00 0.00 -1.99 -1.08 119.26 118.22 2f3y h ALA 103 Ca 0.32 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2f3y h ALA 103 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2f3y h ALA 103 CO -0.06 0.57 -0.28 0.93 0.00 0.00 0.00 179.25 180.41 2f3y h GLU 104 N 0.72 0.88 -0.24 0.00 5.08 -1.68 -0.79 114.58 118.54 2f3y h GLU 104 Ca 0.14 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2f3y h GLU 104 Cb 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2f3y h GLU 104 CO 0.02 1.04 0.04 1.25 -1.00 0.00 0.00 179.01 180.37 2f3y h LEU 105 N 0.74 0.37 -0.84 1.33 6.46 -0.91 -3.06 115.31 119.41 2f3y h LEU 105 Ca 0.09 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 2f3y h LEU 105 Cb 0.84 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 2f3y h LEU 105 CO 0.07 0.53 0.46 -0.09 -0.62 0.00 0.00 178.44 178.79 2f3y h ARG 106 N 0.20 1.17 -0.47 1.25 2.43 -1.09 -2.53 114.38 115.34 2f3y h ARG 106 Ca 0.07 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2f3y h ARG 106 Cb 0.31 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2f3y h ARG 106 CO 0.00 0.87 0.21 1.25 -1.51 0.00 0.00 179.97 180.78 2f3y h HIS 107 N 1.17 0.37 -0.09 2.20 2.76 -1.05 0.13 115.15 120.64 2f3y h HIS 107 Ca 0.29 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 2f3y h HIS 107 Cb 0.04 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 2f3y h HIS 107 CO 0.01 0.17 0.01 0.28 -1.30 0.00 0.00 177.93 177.09 2f3y h VAL 108 N 0.41 1.22 -0.87 5.26 2.07 -1.44 -2.29 116.25 120.61 2f3y h VAL 108 Ca 0.21 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.08 2f3y h VAL 108 Cb 0.16 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2f3y h VAL 108 CO -0.18 0.19 0.56 0.24 0.02 0.00 0.00 177.57 178.40 2f3y h MET 109 N -0.09 1.05 -0.25 1.57 2.07 -1.09 -1.07 114.93 117.13 2f3y h MET 109 Ca 0.03 -0.06 0.03 0.00 -2.07 0.00 0.00 59.70 57.62 2f3y h MET 109 Cb 0.29 -0.24 -0.03 0.00 -1.87 0.00 0.00 31.60 29.76 2f3y h MET 109 CO 0.00 0.69 0.08 1.15 1.07 0.00 0.00 176.91 179.91 2f3y h THR 110 N 1.08 0.93 0.00 2.22 2.02 -0.65 0.82 112.91 119.33 2f3y h THR 110 Ca 0.35 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.46 2f3y h THR 110 Cb 0.02 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2f3y h THR 110 CO -0.12 0.04 0.00 0.59 0.37 0.00 0.00 175.52 176.39 2f3y n ASN 111 N -5.04 0.35 -0.78 4.18 3.02 -0.84 -1.38 115.26 114.77 2f3y n ASN 111 Ca -0.01 0.57 0.10 0.00 -0.03 0.00 0.00 54.58 55.21 2f3y n ASN 111 Cb 0.09 -0.65 0.29 0.00 -0.61 0.00 0.00 39.78 38.89 2f3y n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2f3y n LEU 112 N -1.88 2.32 0.00 3.41 4.77 -0.46 -4.92 117.00 120.25 2f3y n LEU 112 Ca 0.04 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2f3y n LEU 112 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2f3y n LEU 112 CO 0.19 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2f3y n GLY 113 N 1.25 0.75 3.22 -0.72 0.00 -0.48 -5.04 105.19 104.17 2f3y n GLY 113 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2f3y n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f3y s GLU 114 N -0.53 2.51 -0.36 1.61 0.41 0.19 -4.99 118.70 117.54 2f3y s GLU 114 Ca 0.00 -1.78 -0.26 0.00 -0.41 0.00 0.00 54.97 52.52 2f3y s GLU 114 Cb 0.00 -3.95 0.01 0.00 -1.78 0.00 0.00 34.13 28.41 2f3y s GLU 114 CO 0.00 -1.21 0.93 0.21 -0.49 0.00 0.00 175.26 174.71 2f3y s LYS 115 N 1.35 3.87 0.09 1.61 2.20 -1.26 -3.18 119.74 124.42 2f3y s LYS 115 Ca 0.06 0.63 0.06 0.00 -0.36 0.00 0.00 55.97 56.36 2f3y s LYS 115 Cb -0.26 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.23 2f3y s LYS 115 CO -0.01 -0.93 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.45 2f3y s LEU 116 N 3.47 3.08 0.71 5.43 1.43 -1.26 -5.09 118.68 126.45 2f3y s LEU 116 Ca 0.39 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2f3y s LEU 116 Cb -0.12 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.26 2f3y s LEU 116 CO 0.18 0.20 1.08 0.42 0.23 0.00 0.00 176.35 178.46 2f3y s THR 117 N -1.18 3.63 0.34 5.49 -4.23 -1.26 -4.87 115.64 113.56 2f3y s THR 117 Ca 0.21 0.53 0.03 0.00 -1.18 0.00 0.00 61.69 61.28 2f3y s THR 117 Cb -0.11 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.57 2f3y s THR 117 CO 0.13 -0.69 1.96 0.44 -0.54 0.00 0.00 174.62 175.92 2f3y h ASP 118 N -0.71 0.75 -0.50 3.99 3.45 -2.00 -1.69 116.42 119.71 2f3y h ASP 118 Ca -0.45 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.94 2f3y h ASP 118 Cb 1.24 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.83 2f3y h ASP 118 CO 0.62 0.50 0.05 -0.08 -1.57 0.00 0.00 179.24 178.76 2f3y h GLU 119 N 0.87 0.86 -0.58 3.56 4.57 -1.99 -1.00 114.58 120.87 2f3y h GLU 119 Ca 0.32 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2f3y h GLU 119 Cb 0.16 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 2f3y h GLU 119 CO -0.10 0.86 0.30 0.93 -1.18 0.00 0.00 179.01 179.82 2f3y h GLU 120 N 0.73 0.81 -0.36 1.92 5.08 -1.74 -0.09 114.58 120.93 2f3y h GLU 120 Ca 0.15 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2f3y h GLU 120 Cb 0.44 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2f3y h GLU 120 CO 0.02 0.64 0.16 0.28 -1.00 0.00 0.00 179.01 179.10 2f3y h VAL 121 N 0.78 1.18 -0.23 3.13 2.07 -1.16 -1.52 116.25 120.50 2f3y h VAL 121 Ca 0.20 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2f3y h VAL 121 Cb 0.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2f3y h VAL 121 CO -0.03 0.19 -0.05 0.44 0.02 0.00 0.00 177.57 178.14 2f3y h ASP 122 N 0.43 0.32 -0.43 0.57 3.32 -0.92 -1.54 116.42 118.18 2f3y h ASP 122 Ca 0.12 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 2f3y h ASP 122 Cb 0.15 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2f3y h ASP 122 CO -0.01 0.43 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.75 2f3y h GLU 123 N 0.34 0.83 -0.47 3.56 4.57 -0.61 0.72 114.58 123.51 2f3y h GLU 123 Ca 0.07 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 2f3y h GLU 123 Cb 0.32 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2f3y h GLU 123 CO 0.01 0.94 0.21 0.52 -1.18 0.00 0.00 179.01 179.51 2f3y h MET 124 N 0.66 0.69 -0.19 1.92 2.86 -0.78 -1.78 114.93 118.30 2f3y h MET 124 Ca 0.11 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2f3y h MET 124 Cb 0.63 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2f3y h MET 124 CO 0.04 0.60 0.05 0.82 1.06 0.00 0.00 176.91 179.49 2f3y h ILE 125 N 0.62 1.20 -0.66 -1.22 1.08 -1.15 -2.96 117.51 114.41 2f3y h ILE 125 Ca 0.16 -0.63 0.07 0.00 -0.39 0.00 0.00 64.86 64.07 2f3y h ILE 125 Cb 0.16 1.26 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 2f3y h ILE 125 CO -0.02 0.19 0.35 -0.09 -0.69 0.00 0.00 178.15 177.90 2f3y h ARG 126 N 0.12 0.62 -0.54 2.37 2.43 -0.68 0.28 114.38 118.97 2f3y h ARG 126 Ca 0.06 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2f3y h ARG 126 Cb 0.25 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2f3y h ARG 126 CO -0.00 0.41 0.13 0.93 -1.51 0.00 0.00 179.97 179.93 2f3y h GLU 127 N 0.64 0.84 0.00 0.20 4.39 -1.30 -3.04 114.58 116.31 2f3y h GLU 127 Ca 0.30 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2f3y h GLU 127 Cb 0.23 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2f3y h GLU 127 CO -0.20 0.75 -1.02 0.00 -1.16 0.00 0.00 179.01 177.38 2f3y h ALA 128 N 1.34 0.52 -0.33 3.43 0.00 -1.29 -3.43 119.26 119.50 2f3y h ALA 128 Ca 0.18 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.40 2f3y h ALA 128 Cb 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2f3y h ALA 128 CO -0.00 0.07 2.35 -3.47 0.00 0.00 0.00 179.25 178.20 2f3y n ASP 129 N -2.70 3.78 -0.17 0.00 2.03 0.93 -4.81 116.55 115.62 2f3y n ASP 129 Ca -0.01 -2.81 -0.02 0.00 0.52 0.00 0.00 54.79 52.48 2f3y n ASP 129 Cb 0.57 -1.59 0.07 0.00 -0.72 0.00 0.00 41.12 39.45 2f3y n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2f3y h ILE 130 N 4.91 0.65 -0.00 5.18 1.08 -1.83 -1.84 117.51 125.66 2f3y h ILE 130 Ca 0.45 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 2f3y h ILE 130 Cb 0.76 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2f3y h ILE 130 CO 1.67 0.03 -0.00 -0.90 -0.69 0.00 0.00 178.15 178.26 2f3y n ASP 131 N -5.18 0.47 -1.24 1.72 3.85 -1.26 -4.93 116.55 109.98 2f3y n ASP 131 Ca 0.06 -1.15 -0.16 0.00 -0.71 0.00 0.00 54.79 52.83 2f3y n ASP 131 Cb 0.27 -0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.97 2f3y n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2f3y n GLY 132 N 1.06 1.61 0.08 6.12 0.00 -0.69 -4.89 105.19 108.48 2f3y n GLY 132 Ca 0.22 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2f3y n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f3y n ASP 133 N -0.69 0.26 0.00 1.61 3.85 -1.26 -4.89 116.55 115.42 2f3y n ASP 133 Ca -0.16 -1.19 0.00 0.00 -0.71 0.00 0.00 54.79 52.73 2f3y n ASP 133 Cb 0.54 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.31 2f3y n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2f3y n GLY 134 N 0.98 0.72 3.16 6.12 0.00 -1.26 -5.05 105.19 109.86 2f3y n GLY 134 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2f3y n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f3y s GLN 135 N -0.73 0.87 -0.37 1.61 -2.07 -1.26 -4.62 119.66 113.09 2f3y s GLN 135 Ca 0.00 -1.38 -0.11 0.00 -1.82 0.00 0.00 55.36 52.05 2f3y s GLN 135 Cb 0.00 0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.96 2f3y s GLN 135 CO 0.00 -0.14 0.21 0.08 -1.32 0.00 0.00 175.29 174.12 2f3y s VAL 136 N -3.83 4.66 0.90 3.63 1.01 -0.46 -4.76 120.40 121.54 2f3y s VAL 136 Ca 0.17 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2f3y s VAL 136 Cb 0.07 -3.56 0.18 0.00 0.00 0.00 0.00 36.38 33.08 2f3y s VAL 136 CO -0.02 -0.18 1.23 0.54 0.00 0.00 0.00 175.10 176.66 2f3y s ASN 137 N 1.58 3.42 0.18 3.32 2.20 -1.26 -0.63 114.94 123.75 2f3y s ASN 137 Ca 0.03 0.03 -0.12 0.00 -0.94 0.00 0.00 52.86 51.85 2f3y s ASN 137 Cb -0.19 -0.14 0.09 0.00 -2.00 0.00 0.00 41.25 39.01 2f3y s ASN 137 CO 0.07 -2.51 1.79 0.22 -2.94 0.00 0.00 177.10 173.73 2f3y h TYR 138 N -1.33 0.84 -0.60 1.54 3.20 -1.99 -0.28 116.97 118.35 2f3y h TYR 138 Ca -0.42 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.47 2f3y h TYR 138 Cb 1.24 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 2f3y h TYR 138 CO -0.93 0.61 0.36 1.49 -1.64 0.00 0.00 178.16 178.05 2f3y h GLU 139 N 0.83 0.67 -0.45 1.82 4.81 -1.95 0.03 114.58 120.34 2f3y h GLU 139 Ca 0.21 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2f3y h GLU 139 Cb 0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2f3y h GLU 139 CO -0.03 0.44 -0.05 0.93 -0.73 0.00 0.00 179.01 179.57 2f3y h GLU 140 N 0.69 0.77 -0.51 1.92 5.08 -1.81 -2.91 114.58 117.80 2f3y h GLU 140 Ca 0.25 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2f3y h GLU 140 Cb 0.06 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2f3y h GLU 140 CO -0.12 0.81 0.05 0.35 -1.00 0.00 0.00 179.01 179.09 2f3y h PHE 141 N 0.71 0.94 -0.65 4.33 3.04 -0.07 -0.87 116.94 124.37 2f3y h PHE 141 Ca 0.13 -0.15 0.06 0.00 3.98 0.00 0.00 57.97 61.99 2f3y h PHE 141 Cb 0.50 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 2f3y h PHE 141 CO 0.03 0.86 0.36 0.28 -2.02 0.00 0.00 178.31 177.82 2f3y h VAL 142 N 0.74 0.97 -0.57 1.41 2.07 -0.90 -0.57 116.25 119.41 2f3y h VAL 142 Ca 0.15 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2f3y h VAL 142 Cb 0.46 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2f3y h VAL 142 CO 0.02 0.12 0.08 -0.61 0.02 0.00 0.00 177.57 177.20 2f3y h GLN 143 N 0.67 0.95 0.00 1.57 4.15 -1.29 -1.55 115.11 119.61 2f3y h GLN 143 Ca 0.29 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2f3y h GLN 143 Cb 0.18 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2f3y h GLN 143 CO -0.18 0.91 0.00 0.00 -1.93 0.00 0.00 178.83 177.63 2f3y h MET 144 N 0.84 0.00 0.00 1.69 -0.00 -0.52 0.18 114.93 117.12 2f3y h MET 144 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 2f3y h MET 144 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 2f3y h MET 144 CO 0.01 0.00 -1.03 -1.33 -0.00 0.00 0.00 176.91 174.57 2f3y n MET 145 N -3.05 0.34 -0.00 -0.10 2.81 -0.28 -4.43 117.12 112.40 2f3y n MET 145 Ca 0.01 0.01 0.01 0.00 -1.81 0.00 0.00 57.70 55.92 2f3y n MET 145 Cb 0.33 -1.62 -0.01 0.00 -0.71 0.00 0.00 33.22 31.21 2f3y n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2f3y n THR 146 N -2.06 0.00 -1.73 2.03 -2.24 -0.61 -5.04 114.28 104.62 2f3y n THR 146 Ca 0.02 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2f3y n THR 146 Cb 0.45 0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 2f3y n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f3y n ALA 147 N -1.44 2.30 1.94 6.98 0.00 0.62 -5.07 120.51 125.84 2f3y n ALA 147 Ca -0.00 0.38 0.16 0.00 0.00 0.00 0.00 53.44 53.98 2f3y n ALA 147 Cb 0.04 -2.43 0.90 0.00 0.00 0.00 0.00 19.45 17.95 2f3y n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13