#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9n h LYS 3 N 0.00 -0.82 -0.06 3.52 3.64 -2.04 0.70 116.57 121.51 1f9n h LYS 3 Ca 0.00 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1f9n h LYS 3 Cb 0.00 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1f9n h LYS 3 CO 0.00 -0.55 0.17 0.78 -2.27 0.00 0.00 179.45 177.58 1f9n h GLY 4 N -0.85 0.00 0.67 5.01 0.00 -2.06 -0.66 103.07 105.18 1f9n h GLY 4 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.92 1f9n h GLY 4 CO 0.01 0.00 -1.95 1.46 0.00 0.00 0.00 176.54 176.05 1f9n h GLN 5 N 0.00 0.27 -0.60 4.80 4.20 -1.74 -3.26 115.11 118.78 1f9n h GLN 5 Ca 0.03 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.23 1f9n h GLN 5 Cb 0.36 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1f9n h GLN 5 CO -0.00 1.19 0.18 -0.09 -0.67 0.00 0.00 178.83 179.44 1f9n h ARG 6 N 0.07 0.95 -0.70 1.46 2.43 0.13 -1.43 114.38 117.29 1f9n h ARG 6 Ca -0.41 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.57 1f9n h ARG 6 Cb 2.04 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 31.42 1f9n h ARG 6 CO 0.10 0.85 0.45 0.45 -1.51 0.00 0.00 179.97 180.32 1f9n h HIS 7 N 0.87 0.86 -0.69 2.20 3.86 -1.32 0.16 115.15 121.08 1f9n h HIS 7 Ca 0.19 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 1f9n h HIS 7 Cb 0.31 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 1f9n h HIS 7 CO 0.02 0.52 0.29 0.82 0.86 0.00 0.00 177.93 180.44 1f9n h ILE 8 N 0.91 1.24 -0.50 2.45 2.04 -1.52 -1.69 117.51 120.45 1f9n h ILE 8 Ca 0.27 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1f9n h ILE 8 Cb -0.05 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1f9n h ILE 8 CO -0.08 0.30 0.24 0.50 0.00 0.00 0.00 178.15 179.11 1f9n h LYS 9 N 0.98 0.71 -0.87 2.37 3.11 -0.60 -2.51 116.57 119.78 1f9n h LYS 9 Ca 0.23 -0.10 0.05 0.00 -2.81 0.00 0.00 60.65 58.03 1f9n h LYS 9 Cb 0.18 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.23 1f9n h LYS 9 CO -0.02 0.59 0.57 0.82 -2.81 0.00 0.00 179.45 178.59 1f9n h ILE 10 N 0.66 1.09 -0.34 2.00 2.04 -0.27 -1.36 117.51 121.33 1f9n h ILE 10 Ca 0.17 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1f9n h ILE 10 Cb 0.11 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1f9n h ILE 10 CO -0.02 0.18 0.20 0.03 0.00 0.00 0.00 178.15 178.54 1f9n h ARG 11 N 1.01 0.46 0.03 2.37 3.08 -0.86 -2.71 114.38 117.75 1f9n h ARG 11 Ca 0.36 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.23 1f9n h ARG 11 Cb 0.14 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1f9n h ARG 11 CO -0.12 0.33 -0.58 1.49 -1.07 0.00 0.00 179.97 180.02 1f9n h GLU 12 N 0.47 0.34 -0.15 0.04 4.81 -1.16 -3.27 114.58 115.65 1f9n h GLU 12 Ca 0.12 -0.40 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1f9n h GLU 12 Cb -0.01 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1f9n h GLU 12 CO -0.02 1.10 0.03 0.82 -0.73 0.00 0.00 179.01 180.21 1f9n h ILE 13 N -0.25 0.94 0.00 2.32 2.04 -1.21 -0.36 117.51 120.99 1f9n h ILE 13 Ca -0.08 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1f9n h ILE 13 Cb 1.33 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1f9n h ILE 13 CO 0.11 0.02 0.00 2.30 0.00 0.00 0.00 178.15 180.58 1f9n n ILE 14 N -5.08 0.76 -0.05 -0.67 -5.35 -1.04 -0.97 119.36 106.97 1f9n n ILE 14 Ca -0.04 0.14 -0.01 0.00 -0.27 0.00 0.00 62.75 62.57 1f9n n ILE 14 Cb 0.07 -0.96 -0.15 0.00 -1.74 0.00 0.00 39.64 36.85 1f9n n ILE 14 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1f9n n THR 15 N -1.95 0.88 0.75 7.28 -1.04 -1.01 -4.31 114.28 114.89 1f9n n THR 15 Ca 0.04 -0.71 0.11 0.00 -2.04 0.00 0.00 64.05 61.44 1f9n n THR 15 Cb 0.25 -0.35 -0.05 0.00 -1.82 0.00 0.00 70.33 68.36 1f9n n THR 15 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1f9n n SER 16 N -2.60 0.70 -4.15 8.00 7.64 -0.18 -4.96 113.62 118.07 1f9n n SER 16 Ca -0.20 -0.58 -0.11 0.00 1.01 0.00 0.00 58.87 58.99 1f9n n SER 16 Cb 0.91 1.02 -0.10 0.00 -1.01 0.00 0.00 64.21 65.03 1f9n n SER 16 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1f9n s ASN 17 N -3.45 1.10 -1.03 6.43 0.01 -0.14 -5.07 114.94 112.79 1f9n s ASN 17 Ca 0.05 -0.92 -0.12 0.00 -0.71 0.00 0.00 52.86 51.16 1f9n s ASN 17 Cb 0.15 0.08 0.23 0.00 0.41 0.00 0.00 41.25 42.12 1f9n s ASN 17 CO 0.84 -0.41 1.08 -1.61 -1.51 0.00 0.00 177.10 175.49 1f9n s GLU 18 N -3.39 3.96 -0.22 -0.60 2.02 -1.26 -4.50 118.70 114.71 1f9n s GLU 18 Ca 0.08 -2.74 -0.26 0.00 0.02 0.00 0.00 54.97 52.07 1f9n s GLU 18 Cb 0.02 -4.66 -0.00 0.00 0.10 0.00 0.00 34.13 29.59 1f9n s GLU 18 CO -0.04 -1.41 0.88 0.42 0.02 0.00 0.00 175.26 175.13 1f9n s ILE 19 N 0.08 4.81 -0.18 -1.63 -1.09 -1.26 -4.93 121.20 117.00 1f9n s ILE 19 Ca 0.30 1.69 0.17 0.00 -2.23 0.00 0.00 60.65 60.58 1f9n s ILE 19 Cb -0.08 -4.17 -0.25 0.00 -1.58 0.00 0.00 42.46 36.38 1f9n s ILE 19 CO -0.07 -0.07 0.44 -0.62 -1.23 0.00 0.00 174.94 173.39 1f9n n GLU 20 N 5.88 0.73 -4.02 2.79 1.02 -1.26 -1.02 120.64 124.76 1f9n n GLU 20 Ca 0.07 -0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 56.98 1f9n n GLU 20 Cb 0.47 -1.38 -0.11 0.00 -0.02 0.00 0.00 31.44 30.40 1f9n n GLU 20 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1f9n s THR 21 N -3.05 0.30 0.45 2.62 -4.23 -1.26 -4.86 115.64 105.60 1f9n s THR 21 Ca -0.04 -1.01 0.15 0.00 -1.18 0.00 0.00 61.69 59.61 1f9n s THR 21 Cb 0.11 -0.45 0.33 0.00 1.34 0.00 0.00 72.50 73.84 1f9n s THR 21 CO 0.70 -0.46 1.98 1.56 -0.54 0.00 0.00 174.62 177.86 1f9n h GLN 22 N 4.53 0.35 -0.51 3.99 4.20 -1.99 -0.86 115.11 124.82 1f9n h GLN 22 Ca -0.34 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 1f9n h GLN 22 Cb 1.20 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1f9n h GLN 22 CO 0.42 0.23 0.21 -0.44 -0.67 0.00 0.00 178.83 178.58 1f9n h ASP 23 N 0.36 0.70 -0.89 1.46 3.32 -1.99 0.07 116.42 119.45 1f9n h ASP 23 Ca 0.27 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1f9n h ASP 23 Cb 0.58 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 1f9n h ASP 23 CO -0.07 0.68 0.59 -0.33 -1.72 0.00 0.00 179.24 178.38 1f9n h GLU 24 N 0.69 1.11 0.00 3.56 5.08 -1.58 -0.51 114.58 122.93 1f9n h GLU 24 Ca 0.17 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1f9n h GLU 24 Cb 0.19 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1f9n h GLU 24 CO -0.02 0.74 -0.43 1.25 -1.00 0.00 0.00 179.01 179.55 1f9n h LEU 25 N 1.15 0.00 0.07 1.33 5.85 -1.02 -2.44 115.31 120.25 1f9n h LEU 25 Ca 0.34 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 1f9n h LEU 25 Cb -0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1f9n h LEU 25 CO -0.09 0.43 -0.03 0.58 -0.34 0.00 0.00 178.44 178.99 1f9n h VAL 26 N 0.00 1.24 -0.35 1.05 2.07 0.50 -2.67 116.25 118.09 1f9n h VAL 26 Ca -0.00 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1f9n h VAL 26 Cb 0.90 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1f9n h VAL 26 CO 0.06 0.32 0.15 0.44 0.02 0.00 0.00 177.57 178.56 1f9n h ASP 27 N -0.74 0.47 0.37 0.57 3.32 -1.23 -0.72 116.42 118.46 1f9n h ASP 27 Ca -0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1f9n h ASP 27 Cb 0.60 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1f9n h ASP 27 CO 0.01 0.49 -0.20 -0.03 -1.72 0.00 0.00 179.24 177.79 1f9n h MET 28 N 0.42 0.00 0.00 3.56 4.05 -1.56 -0.79 114.93 120.60 1f9n h MET 28 Ca 0.12 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 1f9n h MET 28 Cb 0.15 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1f9n h MET 28 CO -0.01 0.20 -0.47 1.25 0.23 0.00 0.00 176.91 178.10 1f9n h LEU 29 N 0.00 0.00 -0.05 3.39 5.85 -1.07 -3.27 115.31 120.15 1f9n h LEU 29 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1f9n h LEU 29 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1f9n h LEU 29 CO 0.03 0.47 -0.19 0.11 -0.34 0.00 0.00 178.44 178.52 1f9n h LYS 30 N 0.00 0.22 0.00 1.25 1.57 0.29 -3.12 116.57 116.78 1f9n h LYS 30 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1f9n h LYS 30 Cb 1.31 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1f9n h LYS 30 CO 0.06 0.80 0.00 0.00 -0.57 0.00 0.00 179.45 179.74 1f9n n GLN 31 N -4.56 0.05 -0.45 3.15 10.64 -0.81 -1.56 117.38 123.85 1f9n n GLN 31 Ca -0.08 0.31 0.09 0.00 -1.83 0.00 0.00 57.00 55.48 1f9n n GLN 31 Cb 0.43 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.60 1f9n n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1f9n n ASP 32 N -1.39 3.84 -0.01 2.61 9.92 -1.19 -4.92 116.55 125.41 1f9n n ASP 32 Ca 0.02 -2.22 -0.00 0.00 -0.53 0.00 0.00 54.79 52.06 1f9n n ASP 32 Cb 0.06 -0.49 -0.00 0.00 -0.64 0.00 0.00 41.12 40.05 1f9n n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f9n n GLY 33 N 1.23 0.37 3.27 0.44 0.00 -0.60 -5.06 105.19 104.85 1f9n n GLY 33 Ca 0.22 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1f9n n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f9n s TYR 34 N -2.00 2.82 -0.52 1.61 1.51 -1.18 -5.07 117.35 114.51 1f9n s TYR 34 Ca 0.00 -1.04 -0.28 0.00 -1.01 0.00 0.00 57.07 54.74 1f9n s TYR 34 Cb 0.00 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1f9n s TYR 34 CO 0.00 -0.49 1.10 0.15 -1.11 0.00 0.00 175.55 175.20 1f9n s LYS 35 N 0.94 3.58 0.08 -0.62 1.02 -1.26 -4.32 119.74 119.15 1f9n s LYS 35 Ca -0.03 0.30 -0.07 0.00 0.02 0.00 0.00 55.97 56.20 1f9n s LYS 35 Cb -0.15 -3.96 -0.01 0.00 -0.52 0.00 0.00 37.83 33.19 1f9n s LYS 35 CO -0.02 -1.48 0.14 0.54 -0.92 0.00 0.00 175.35 173.62 1f9n s VAL 36 N 4.48 0.16 0.24 3.17 0.11 -1.26 -5.14 120.40 122.15 1f9n s VAL 36 Ca 0.43 -1.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.23 1f9n s VAL 36 Cb -0.08 -1.35 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 1f9n s VAL 36 CO 0.27 -0.72 -0.05 0.42 -3.33 0.00 0.00 175.10 171.69 1f9n s THR 37 N -3.78 1.40 0.24 5.04 -4.23 -1.26 -5.03 115.64 108.02 1f9n s THR 37 Ca 0.05 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 1f9n s THR 37 Cb 0.05 -2.32 0.21 0.00 1.34 0.00 0.00 72.50 71.79 1f9n s THR 37 CO -0.10 -0.38 1.72 1.56 -0.54 0.00 0.00 174.62 176.88 1f9n h GLN 38 N 2.42 0.40 0.01 3.99 4.20 -1.99 -2.11 115.11 122.04 1f9n h GLN 38 Ca -0.39 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.31 1f9n h GLN 38 Cb 1.22 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1f9n h GLN 38 CO 0.65 0.27 -0.11 0.00 -0.67 0.00 0.00 178.83 178.97 1f9n h ALA 39 N 1.54 -0.13 -0.75 3.87 0.00 -1.99 -1.03 119.26 120.77 1f9n h ALA 39 Ca 0.41 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1f9n h ALA 39 Cb 0.62 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1f9n h ALA 39 CO -0.41 -0.61 0.46 1.79 0.00 0.00 0.00 179.25 180.49 1f9n h THR 40 N -0.20 1.06 -0.55 0.00 1.35 -1.81 -2.24 112.91 110.51 1f9n h THR 40 Ca 0.04 -0.30 -0.07 0.00 -0.55 0.00 0.00 66.41 65.52 1f9n h THR 40 Cb 0.24 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 1f9n h THR 40 CO -0.10 0.16 0.04 0.58 -0.25 0.00 0.00 175.52 175.95 1f9n h VAL 41 N 0.88 1.25 0.00 6.82 2.07 -1.12 -1.34 116.25 124.80 1f9n h VAL 41 Ca 0.31 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1f9n h VAL 41 Cb 0.09 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1f9n h VAL 41 CO -0.14 0.37 0.00 0.77 0.02 0.00 0.00 177.57 178.59 1f9n h SER 42 N 0.85 0.00 0.15 0.57 4.64 -0.61 -0.53 113.55 118.63 1f9n h SER 42 Ca 0.17 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.17 1f9n h SER 42 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1f9n h SER 42 CO 0.02 0.00 -1.61 0.03 -0.87 0.00 0.00 176.83 174.40 1f9n h ARG 43 N 0.00 0.32 -0.25 4.77 3.08 -0.90 -3.17 114.38 118.23 1f9n h ARG 43 Ca 0.00 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.49 1f9n h ARG 43 Cb 0.19 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1f9n h ARG 43 CO 0.00 1.26 0.13 -0.44 -1.07 0.00 0.00 179.97 179.86 1f9n h ASP 44 N -0.08 0.32 -0.81 7.04 3.32 -0.70 0.30 116.42 125.82 1f9n h ASP 44 Ca -0.33 -0.10 0.15 0.00 0.02 0.00 0.00 57.03 56.77 1f9n h ASP 44 Cb 1.94 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 41.35 1f9n h ASP 44 CO 0.12 0.33 0.53 0.40 -1.72 0.00 0.00 179.24 178.90 1f9n h ILE 45 N 0.29 0.81 0.04 0.35 2.04 -1.26 0.32 117.51 120.10 1f9n h ILE 45 Ca 0.09 -0.18 -0.27 0.00 1.00 0.00 0.00 64.86 65.49 1f9n h ILE 45 Cb 0.08 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1f9n h ILE 45 CO -0.01 0.10 -1.45 0.50 0.00 0.00 0.00 178.15 177.28 1f9n h LYS 46 N 0.53 0.09 -0.17 2.37 3.64 -1.37 -1.10 116.57 120.55 1f9n h LYS 46 Ca 0.40 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.46 1f9n h LYS 46 Cb 0.80 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1f9n h LYS 46 CO -0.15 0.87 -0.60 0.93 -2.27 0.00 0.00 179.45 178.22 1f9n h GLU 47 N 0.02 0.56 -0.05 1.90 5.08 0.65 -2.90 114.58 119.84 1f9n h GLU 47 Ca -0.19 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1f9n h GLU 47 Cb 1.94 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1f9n h GLU 47 CO 0.12 0.99 0.00 1.28 -1.00 0.00 0.00 179.01 180.40 1f9n n LEU 48 N -3.93 0.90 -3.40 1.33 4.77 0.10 -4.91 117.00 111.86 1f9n n LEU 48 Ca -0.04 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.36 1f9n n LEU 48 Cb 0.64 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1f9n n LEU 48 CO 0.48 0.17 0.06 1.41 -1.33 0.00 0.00 177.39 178.18 1f9n n HIS 49 N -0.25 -2.18 -1.98 -1.77 8.25 -1.10 -4.70 115.22 111.50 1f9n n HIS 49 Ca 0.18 0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 57.92 1f9n n HIS 49 Cb 0.23 -4.15 -0.01 0.00 1.12 0.00 0.00 29.99 27.19 1f9n n HIS 49 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f9n s LEU 50 N -6.89 4.35 0.46 2.41 1.02 -0.43 -4.15 118.68 115.45 1f9n s LEU 50 Ca 0.46 2.82 0.03 0.00 0.02 0.00 0.00 54.13 57.46 1f9n s LEU 50 Cb -0.22 -3.70 -0.03 0.00 0.02 0.00 0.00 46.19 42.26 1f9n s LEU 50 CO 0.57 -0.72 0.03 0.68 0.02 0.00 0.00 176.35 176.92 1f9n s VAL 51 N -1.15 1.24 -0.17 -1.59 -7.23 -0.19 -4.91 120.40 106.40 1f9n s VAL 51 Ca 0.52 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1f9n s VAL 51 Cb -0.42 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1f9n s VAL 51 CO 0.56 0.00 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.64 1f9n s LYS 52 N -3.82 2.66 0.23 4.82 -0.14 -1.26 -0.75 119.74 121.48 1f9n s LYS 52 Ca 0.17 -0.71 0.11 0.00 -1.36 0.00 0.00 55.97 54.18 1f9n s LYS 52 Cb 0.04 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.79 1f9n s LYS 52 CO 0.09 -0.23 -0.21 0.14 -0.76 0.00 0.00 175.35 174.38 1f9n s VAL 53 N 1.38 2.33 0.82 3.17 -7.23 -0.54 -4.90 120.40 115.43 1f9n s VAL 53 Ca 0.05 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 57.90 1f9n s VAL 53 Cb -0.13 -2.18 0.08 0.00 0.56 0.00 0.00 36.38 34.72 1f9n s VAL 53 CO -0.12 -0.29 1.11 -2.84 -0.31 0.00 0.00 175.10 172.65 1f9n s PRO 54 N -3.12 1.93 0.34 4.82 0.02 -1.26 -1.17 135.00 136.55 1f9n s PRO 54 Ca 0.25 0.51 0.03 0.00 0.02 0.00 0.00 61.00 61.81 1f9n s PRO 54 Cb -0.06 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1f9n s PRO 54 CO 0.12 -1.70 0.09 0.95 -0.33 0.00 0.00 177.00 176.13 1f9n s THR 55 N -3.23 0.86 0.33 0.99 -4.23 -0.35 -4.83 115.64 105.19 1f9n s THR 55 Ca 0.61 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1f9n s THR 55 Cb -0.14 -2.62 0.22 0.00 1.34 0.00 0.00 72.50 71.31 1f9n s THR 55 CO 0.53 0.00 1.95 0.78 -0.54 0.00 0.00 174.62 177.34 1f9n h ASN 56 N 2.06 0.72 -0.03 3.99 2.35 -1.99 -0.40 115.58 122.28 1f9n h ASN 56 Ca -0.38 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1f9n h ASN 56 Cb 1.25 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.44 1f9n h ASN 56 CO 0.64 0.59 0.03 -1.13 -1.65 0.00 0.00 177.43 175.91 1f9n h ASN 57 N 0.81 0.00 0.00 5.81 -1.24 -2.04 -3.45 115.58 115.47 1f9n h ASN 57 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 1f9n h ASN 57 Cb 0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1f9n h ASN 57 CO -0.03 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.72 1f9n n GLY 58 N -1.46 1.54 3.93 1.57 0.00 -0.16 -5.09 105.19 105.51 1f9n n GLY 58 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1f9n n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f9n s SER 59 N -1.78 3.68 -0.08 1.61 1.04 -1.26 -4.63 113.70 112.27 1f9n s SER 59 Ca 0.00 0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.84 1f9n s SER 59 Cb 0.00 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.50 1f9n s SER 59 CO 0.00 -2.38 -0.17 -0.31 0.98 0.00 0.00 173.24 171.36 1f9n s TYR 60 N -3.72 2.67 0.14 5.02 1.51 -1.26 -1.21 117.35 120.51 1f9n s TYR 60 Ca 0.69 -0.51 0.08 0.00 -1.01 0.00 0.00 57.07 56.32 1f9n s TYR 60 Cb -0.06 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1f9n s TYR 60 CO 0.51 -0.08 -0.19 -1.59 -1.11 0.00 0.00 175.55 173.08 1f9n s LYS 61 N -0.14 1.21 0.53 -0.62 -2.85 -0.31 -4.35 119.74 113.20 1f9n s LYS 61 Ca -0.02 -1.30 -0.18 0.00 -1.00 0.00 0.00 55.97 53.47 1f9n s LYS 61 Cb -0.14 -1.35 -0.07 0.00 -2.06 0.00 0.00 37.83 34.22 1f9n s LYS 61 CO 0.04 0.29 1.04 0.71 0.10 0.00 0.00 175.35 177.53 1f9n s TYR 62 N -1.69 3.02 0.19 1.78 1.51 -0.18 -1.47 117.35 120.51 1f9n s TYR 62 Ca 0.12 1.54 -0.24 0.00 -1.01 0.00 0.00 57.07 57.48 1f9n s TYR 62 Cb -0.07 -3.02 0.05 0.00 -0.11 0.00 0.00 41.96 38.80 1f9n s TYR 62 CO 0.06 -0.91 0.85 0.45 -1.11 0.00 0.00 175.55 174.89 1f9n s SER 63 N -2.37 -0.24 0.70 2.29 0.15 0.07 -4.79 113.70 109.51 1f9n s SER 63 Ca 0.65 -0.42 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 1f9n s SER 63 Cb -0.16 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1f9n s SER 63 CO 0.27 -1.04 1.07 -0.76 1.20 0.00 0.00 173.24 173.99 1f9n s LEU 64 N -2.89 3.18 0.24 3.45 1.43 -1.26 -1.03 118.68 121.80 1f9n s LEU 64 Ca 0.11 1.75 -0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1f9n s LEU 64 Cb -0.03 -4.51 0.34 0.00 0.03 0.00 0.00 46.19 42.02 1f9n s LEU 64 CO 0.02 -1.62 1.85 -0.65 0.23 0.00 0.00 176.35 176.18 1f9n h PRO 65 N -0.61 0.92 0.00 1.29 0.11 -1.84 -2.31 132.00 129.56 1f9n h PRO 65 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1f9n h PRO 65 Cb 1.22 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1f9n h PRO 65 CO 0.55 0.61 0.00 0.00 -0.21 0.00 0.00 178.00 178.95 1f9n n ALA 66 N -2.36 1.29 -1.76 -0.75 0.00 -1.26 -4.71 120.51 110.95 1f9n n ALA 66 Ca 0.13 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1f9n n ALA 66 Cb 0.19 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1f9n n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f9n s ASP 67 N -2.47 6.40 0.32 0.00 -1.08 -0.87 -4.86 116.67 114.12 1f9n s ASP 67 Ca 0.01 2.45 0.09 0.00 -0.52 0.00 0.00 52.55 54.58 1f9n s ASP 67 Cb 0.00 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.86 1f9n s ASP 67 CO 0.01 -1.12 1.67 1.56 0.52 0.00 0.00 175.17 177.81 1f9n h GLN 68 N 10.77 0.31 0.00 4.34 1.08 -1.91 -0.86 115.11 128.84 1f9n h GLN 68 Ca -0.46 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1f9n h GLN 68 Cb 1.22 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1f9n h GLN 68 CO 0.95 0.20 0.00 0.54 -0.95 0.00 0.00 178.83 179.57 1f9n n ARG 69 N -5.09 0.10 0.00 1.46 1.74 -1.26 -4.06 116.66 109.54 1f9n n ARG 69 Ca 0.27 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1f9n n ARG 69 Cb 0.84 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1f9n n ARG 69 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1f9n n PHE 70 N -2.00 0.00 -3.45 -1.55 7.35 -0.33 -4.73 117.46 112.75 1f9n n PHE 70 Ca -0.01 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.34 1f9n n PHE 70 Cb 0.05 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.82 1f9n n PHE 70 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1f9n n ASN 71 N 0.00 4.49 0.23 -2.13 4.13 -1.26 -4.93 115.26 115.79 1f9n n ASN 71 Ca 0.00 -3.30 -0.16 0.00 1.68 0.00 0.00 54.58 52.81 1f9n n ASN 71 Cb 0.00 -0.97 -0.08 0.00 -1.54 0.00 0.00 39.78 37.20 1f9n n ASN 71 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1f9n h PRO 72 N 5.27 -0.70 0.30 3.52 0.11 -1.85 -1.41 132.00 137.25 1f9n h PRO 72 Ca 0.18 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1f9n h PRO 72 Cb 0.72 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1f9n h PRO 72 CO 0.95 -0.47 -0.16 1.25 -0.21 0.00 0.00 178.00 179.37 1f9n h LEU 73 N -0.72 -0.37 0.08 2.35 5.85 -1.91 0.14 115.31 120.72 1f9n h LEU 73 Ca -0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1f9n h LEU 73 Cb 0.65 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1f9n h LEU 73 CO -0.05 -0.26 -0.06 0.77 -0.34 0.00 0.00 178.44 178.51 1f9n h SER 74 N -0.42 -0.15 -0.31 1.25 4.64 -1.98 -0.23 113.55 116.36 1f9n h SER 74 Ca -0.04 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1f9n h SER 74 Cb 0.33 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 1f9n h SER 74 CO 0.06 -0.09 0.08 0.11 -0.87 0.00 0.00 176.83 176.12 1f9n h LYS 75 N -0.14 0.20 -0.73 4.77 1.57 -1.21 -2.37 116.57 118.65 1f9n h LYS 75 Ca -0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1f9n h LYS 75 Cb 0.12 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1f9n h LYS 75 CO -0.00 0.13 0.44 1.25 -0.57 0.00 0.00 179.45 180.70 1f9n h LEU 76 N 0.21 0.70 0.23 2.94 5.85 -0.48 -1.31 115.31 123.44 1f9n h LEU 76 Ca 0.14 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1f9n h LEU 76 Cb 0.13 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1f9n h LEU 76 CO -0.17 0.47 -0.37 0.50 -0.34 0.00 0.00 178.44 178.54 1f9n h LYS 77 N 0.84 -0.64 -0.57 1.25 3.64 -0.53 0.02 116.57 120.57 1f9n h LYS 77 Ca 0.31 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1f9n h LYS 77 Cb 0.10 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1f9n h LYS 77 CO -0.14 -0.43 0.37 0.00 -2.27 0.00 0.00 179.45 176.98 1f9n h ARG 78 N -0.67 0.71 -0.37 1.90 3.08 -1.32 -1.19 114.38 116.53 1f9n h ARG 78 Ca 0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1f9n h ARG 78 Cb 0.65 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1f9n h ARG 78 CO -0.15 0.47 0.15 0.00 -1.07 0.00 0.00 179.97 179.37 1f9n h ALA 79 N 1.23 0.44 -0.42 0.04 0.00 -0.94 -0.94 119.26 118.68 1f9n h ALA 79 Ca 0.22 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1f9n h ALA 79 Cb -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1f9n h ALA 79 CO -0.07 -0.24 0.10 -0.07 0.00 0.00 0.00 179.25 178.98 1f9n h LEU 80 N 0.31 0.64 -1.26 0.00 3.38 -0.73 0.29 115.31 117.93 1f9n h LEU 80 Ca 0.17 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1f9n h LEU 80 Cb 0.12 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1f9n h LEU 80 CO -0.15 0.70 0.55 -0.03 0.09 0.00 0.00 178.44 179.60 1f9n h MET 81 N 0.54 0.81 0.06 1.13 4.05 -0.80 0.70 114.93 121.42 1f9n h MET 81 Ca 0.13 -0.05 -0.30 0.00 -0.28 0.00 0.00 59.70 59.20 1f9n h MET 81 Cb 0.31 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1f9n h MET 81 CO 0.00 0.54 -1.65 -0.44 0.23 0.00 0.00 176.91 175.58 1f9n h ASP 82 N 0.83 0.19 0.00 1.39 3.32 -0.84 -3.41 116.42 117.90 1f9n h ASP 82 Ca 0.39 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1f9n h ASP 82 Cb 0.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1f9n h ASP 82 CO -0.16 1.30 -0.53 0.00 -1.72 0.00 0.00 179.24 178.13 1f9n n ALA 83 N -2.65 3.16 -1.68 3.45 0.00 0.97 -4.93 120.51 118.84 1f9n n ALA 83 Ca -0.18 -0.26 -0.45 0.00 0.00 0.00 0.00 53.44 52.54 1f9n n ALA 83 Cb 1.04 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 1f9n n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f9n n PHE 84 N -1.27 2.37 -0.02 0.00 -0.00 0.24 -1.35 117.46 117.42 1f9n n PHE 84 Ca 0.01 0.17 -0.06 0.00 -0.00 0.00 0.00 57.45 57.58 1f9n n PHE 84 Cb 0.16 -2.59 -0.02 0.00 -0.00 0.00 0.00 39.48 37.03 1f9n n PHE 84 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1f9n n VAL 85 N 3.80 0.58 -3.50 -2.13 0.31 -0.90 -4.87 118.33 111.62 1f9n n VAL 85 Ca 0.18 0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.40 1f9n n VAL 85 Cb 0.30 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 1f9n n VAL 85 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1f9n s LYS 86 N -2.14 0.92 0.05 5.55 -2.85 -1.13 -5.02 119.74 115.12 1f9n s LYS 86 Ca -0.09 -0.16 -0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1f9n s LYS 86 Cb 0.03 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 1f9n s LYS 86 CO 0.11 -0.37 -0.04 -1.50 0.10 0.00 0.00 175.35 173.66 1f9n s ILE 87 N -2.55 0.27 -0.10 3.79 2.07 -1.26 -1.00 121.20 122.40 1f9n s ILE 87 Ca 0.00 -1.63 -0.30 0.00 -1.41 0.00 0.00 60.65 57.31 1f9n s ILE 87 Cb -0.01 -1.27 0.08 0.00 0.13 0.00 0.00 42.46 41.39 1f9n s ILE 87 CO -0.05 -0.87 0.75 -0.62 -1.91 0.00 0.00 174.94 172.25 1f9n s ASP 88 N -2.61 -0.61 0.11 4.50 2.15 -0.66 -5.02 116.67 114.53 1f9n s ASP 88 Ca 0.03 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.74 1f9n s ASP 88 Cb 0.04 0.63 -0.03 0.00 -0.30 0.00 0.00 42.92 43.25 1f9n s ASP 88 CO -0.07 -0.50 0.09 -0.94 -0.17 0.00 0.00 175.17 173.57 1f9n s SER 89 N -0.93 0.29 0.21 -0.34 1.04 -1.26 -0.09 113.70 112.63 1f9n s SER 89 Ca -0.08 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.34 1f9n s SER 89 Cb -0.01 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 1f9n s SER 89 CO 0.07 -0.72 0.21 0.00 0.98 0.00 0.00 173.24 173.78 1f9n n ALA 90 N -0.06 0.27 -0.33 5.32 0.00 0.44 -5.00 120.51 121.15 1f9n n ALA 90 Ca -0.09 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1f9n n ALA 90 Cb 0.63 0.95 0.00 0.00 0.00 0.00 0.00 19.45 21.02 1f9n n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1f9n n SER 91 N -2.07 0.00 -0.70 0.00 3.41 -1.26 -2.86 113.62 110.14 1f9n n SER 91 Ca 0.04 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.87 1f9n n SER 91 Cb 0.38 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.50 1f9n n SER 91 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f9n n HIS 92 N -0.64 0.53 -4.07 7.33 8.25 -1.26 -3.70 115.22 121.66 1f9n n HIS 92 Ca 0.00 -0.53 -0.14 0.00 -0.26 0.00 0.00 57.72 56.79 1f9n n HIS 92 Cb 0.00 -0.05 -0.14 0.00 1.12 0.00 0.00 29.99 30.92 1f9n n HIS 92 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1f9n s MET 93 N -1.15 0.33 -0.06 -0.41 -1.94 -1.13 -1.17 119.30 113.77 1f9n s MET 93 Ca 0.26 -0.25 0.05 0.00 -1.71 0.00 0.00 55.69 54.04 1f9n s MET 93 Cb 0.15 -0.27 -0.02 0.00 2.01 0.00 0.00 34.83 36.70 1f9n s MET 93 CO 0.16 0.07 -0.20 0.42 -0.01 0.00 0.00 175.02 175.45 1f9n s ILE 94 N -0.36 2.51 -0.20 2.53 1.01 0.31 -0.42 121.20 126.59 1f9n s ILE 94 Ca -0.01 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1f9n s ILE 94 Cb -0.03 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1f9n s ILE 94 CO -0.00 0.57 -0.10 -0.69 0.00 0.00 0.00 174.94 174.72 1f9n s VAL 95 N -0.39 2.91 -0.14 2.92 1.01 0.88 -0.62 120.40 126.97 1f9n s VAL 95 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1f9n s VAL 95 Cb -0.12 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1f9n s VAL 95 CO 0.02 0.47 -0.18 -0.22 0.00 0.00 0.00 175.10 175.19 1f9n s LEU 96 N 1.32 1.89 -0.07 3.92 2.96 -0.52 -1.65 118.68 126.53 1f9n s LEU 96 Ca 0.04 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.35 1f9n s LEU 96 Cb -0.14 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1f9n s LEU 96 CO -0.06 0.01 0.19 -0.54 -1.32 0.00 0.00 176.35 174.64 1f9n s LYS 97 N 1.12 3.50 0.24 1.98 -0.14 -0.17 -1.00 119.74 125.26 1f9n s LYS 97 Ca -0.02 -0.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 1f9n s LYS 97 Cb -0.14 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1f9n s LYS 97 CO -0.06 0.74 0.15 0.95 -0.76 0.00 0.00 175.35 176.36 1f9n s THR 98 N -1.12 0.13 0.42 2.17 -4.23 -0.20 -2.13 115.64 110.68 1f9n s THR 98 Ca 0.20 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.44 1f9n s THR 98 Cb -0.13 -2.52 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 1f9n s THR 98 CO 0.09 0.00 1.44 -0.04 -0.54 0.00 0.00 174.62 175.57 1f9n s MET 99 N -4.01 3.87 0.21 3.99 -1.94 -0.46 -4.73 119.30 116.23 1f9n s MET 99 Ca 0.39 2.46 -0.31 0.00 -1.71 0.00 0.00 55.69 56.51 1f9n s MET 99 Cb 0.06 -2.79 -0.15 0.00 2.01 0.00 0.00 34.83 33.97 1f9n s MET 99 CO 0.15 -0.68 1.12 -2.30 -0.01 0.00 0.00 175.02 173.30 1f9n n PRO 100 N 0.09 1.26 -1.72 2.03 -0.02 -1.26 -2.52 135.00 132.86 1f9n n PRO 100 Ca 0.03 0.45 -0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1f9n n PRO 100 Cb 0.41 -1.91 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1f9n n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f9n n GLY 101 N 1.78 0.37 0.00 -1.23 0.00 -0.50 -4.91 105.19 100.70 1f9n n GLY 101 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1f9n n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f9n n ASN 102 N 1.55 0.07 0.36 1.61 3.02 -1.05 -4.88 115.26 115.94 1f9n n ASN 102 Ca -0.03 -0.34 -0.16 0.00 -0.03 0.00 0.00 54.58 54.03 1f9n n ASN 102 Cb 0.37 0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.83 1f9n n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f9n h ALA 103 N 0.00 -1.22 -0.78 5.41 0.00 -1.75 -2.73 119.26 118.20 1f9n h ALA 103 Ca 0.00 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.84 1f9n h ALA 103 Cb 0.04 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 1f9n h ALA 103 CO 0.00 -1.17 -0.33 0.37 0.00 0.00 0.00 179.25 178.12 1f9n h GLN 104 N -0.97 -0.07 -0.18 0.00 4.15 -1.84 -0.95 115.11 115.25 1f9n h GLN 104 Ca -0.09 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.38 1f9n h GLN 104 Cb 0.77 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 1f9n h GLN 104 CO 0.10 -0.05 -0.10 0.00 -1.93 0.00 0.00 178.83 176.86 1f9n h ALA 105 N 1.28 0.05 -0.93 3.38 0.00 -1.90 -1.21 119.26 119.92 1f9n h ALA 105 Ca 0.30 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1f9n h ALA 105 Cb 0.58 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1f9n h ALA 105 CO -0.82 -0.53 0.60 0.82 0.00 0.00 0.00 179.25 179.32 1f9n h ILE 106 N -0.09 1.14 -0.31 0.00 1.08 -0.93 -2.52 117.51 115.88 1f9n h ILE 106 Ca 0.10 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1f9n h ILE 106 Cb 0.24 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 1f9n h ILE 106 CO -0.23 0.21 0.11 1.23 -0.69 0.00 0.00 178.15 178.77 1f9n h GLY 107 N 1.16 0.51 0.58 5.37 0.00 -0.64 -1.29 103.07 108.77 1f9n h GLY 107 Ca 0.38 -0.30 0.09 0.00 0.00 0.00 0.00 47.33 47.50 1f9n h GLY 107 CO -0.13 0.28 0.56 0.00 0.00 0.00 0.00 176.54 177.25 1f9n h ALA 108 N 0.94 1.31 -0.16 3.60 0.00 -0.89 -1.05 119.26 123.02 1f9n h ALA 108 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1f9n h ALA 108 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1f9n h ALA 108 CO -0.00 0.23 -0.08 -0.07 0.00 0.00 0.00 179.25 179.32 1f9n h LEU 109 N 0.95 0.35 -2.47 0.00 3.38 -1.26 -3.02 115.31 113.24 1f9n h LEU 109 Ca 0.43 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f9n h LEU 109 Cb 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1f9n h LEU 109 CO -0.23 0.69 -0.02 0.24 0.09 0.00 0.00 178.44 179.22 1f9n h MET 110 N 0.00 0.00 0.00 1.13 2.86 -0.62 -0.81 114.93 117.49 1f9n h MET 110 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1f9n h MET 110 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1f9n h MET 110 CO 0.02 0.02 0.00 -0.44 1.06 0.00 0.00 176.91 177.57 1f9n h ASP 111 N 0.00 0.00 -0.39 1.22 3.32 -1.08 -3.13 116.42 116.36 1f9n h ASP 111 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1f9n h ASP 111 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1f9n h ASP 111 CO 0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 1f9n n ASN 112 N -2.75 3.04 0.12 6.45 3.02 -0.35 -4.49 115.26 120.30 1f9n n ASN 112 Ca 0.04 -1.98 0.12 0.00 -0.03 0.00 0.00 54.58 52.73 1f9n n ASN 112 Cb 0.45 -0.26 0.47 0.00 -0.61 0.00 0.00 39.78 39.83 1f9n n ASN 112 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1f9n n LEU 113 N 0.69 0.67 -3.33 3.41 7.94 -0.98 -4.86 117.00 120.55 1f9n n LEU 113 Ca 0.13 0.64 -0.16 0.00 -1.11 0.00 0.00 56.01 55.51 1f9n n LEU 113 Cb 0.45 -0.52 0.09 0.00 0.53 0.00 0.00 43.42 43.97 1f9n n LEU 113 CO 0.09 -0.46 0.11 -0.67 -1.11 0.00 0.00 177.39 175.35 1f9n n ASP 114 N -2.21 -2.06 -4.36 1.96 2.03 -1.26 -5.00 116.55 105.64 1f9n n ASP 114 Ca 0.03 -0.59 -0.35 0.00 0.52 0.00 0.00 54.79 54.39 1f9n n ASP 114 Cb 0.27 -4.93 -0.13 0.00 -0.72 0.00 0.00 41.12 35.61 1f9n n ASP 114 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1f9n s TRP 115 N -3.34 3.00 0.41 -0.67 0.51 -1.26 -5.00 118.94 112.59 1f9n s TRP 115 Ca 0.00 -0.73 0.08 0.00 -2.12 0.00 0.00 56.10 53.33 1f9n s TRP 115 Cb -0.00 -2.14 0.88 0.00 -0.81 0.00 0.00 33.47 31.40 1f9n s TRP 115 CO 0.70 -0.45 2.04 -0.44 -0.51 0.00 0.00 176.95 178.28 1f9n h ASP 116 N 8.06 0.40 -0.94 2.95 5.19 -2.02 -2.71 116.42 127.36 1f9n h ASP 116 Ca -0.40 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.02 1f9n h ASP 116 Cb 1.17 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.52 1f9n h ASP 116 CO 0.60 0.33 0.62 -0.33 -3.12 0.00 0.00 179.24 177.33 1f9n h GLU 117 N 0.46 1.18 -6.43 3.56 3.07 -1.94 -3.42 114.58 111.06 1f9n h GLU 117 Ca 0.12 -0.07 -0.54 0.00 -0.50 0.00 0.00 59.36 58.37 1f9n h GLU 117 Cb 0.02 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.65 1f9n h GLU 117 CO -0.02 0.78 0.60 -1.64 -1.40 0.00 0.00 179.01 177.33 1f9n s MET 118 N -6.10 4.41 -0.05 2.33 -1.94 -1.02 -0.60 119.30 116.32 1f9n s MET 118 Ca -0.13 1.73 0.18 0.00 -1.71 0.00 0.00 55.69 55.76 1f9n s MET 118 Cb 0.18 -3.42 -0.22 0.00 2.01 0.00 0.00 34.83 33.38 1f9n s MET 118 CO 0.81 -0.31 0.49 -1.33 -0.01 0.00 0.00 175.02 174.67 1f9n n MET 119 N 4.32 0.65 -3.78 2.03 2.81 0.84 -4.91 117.12 119.08 1f9n n MET 119 Ca 0.09 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1f9n n MET 119 Cb 0.46 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1f9n n MET 119 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f9n n GLY 120 N 1.50 -2.19 3.26 3.03 0.00 -1.22 -5.03 105.19 104.54 1f9n n GLY 120 Ca -0.17 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 1f9n n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f9n s THR 121 N -2.30 0.09 -0.10 2.61 -4.23 -1.26 -2.17 115.64 108.28 1f9n s THR 121 Ca 0.00 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1f9n s THR 121 Cb 0.00 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.88 1f9n s THR 121 CO 0.00 -0.39 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.99 1f9n s ILE 122 N -2.75 0.96 0.12 2.99 1.01 -0.85 -4.98 121.20 117.70 1f9n s ILE 122 Ca -0.04 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1f9n s ILE 122 Cb -0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1f9n s ILE 122 CO -0.05 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.09 1f9n n GLY 124 N 0.70 4.79 0.08 0.00 0.00 0.03 -4.96 105.19 105.84 1f9n n GLY 124 Ca -0.14 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1f9n n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f9n n ASP 125 N 0.00 0.80 0.00 1.61 -0.08 -1.26 -3.83 116.55 113.79 1f9n n ASP 125 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1f9n n ASP 125 Cb 0.00 0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1f9n n ASP 125 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1f9n n ASP 126 N -3.02 0.25 -4.24 1.67 5.68 -1.26 -1.41 116.55 114.22 1f9n n ASP 126 Ca -0.18 -1.08 -0.22 0.00 -0.50 0.00 0.00 54.79 52.81 1f9n n ASP 126 Cb 1.06 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.91 1f9n n ASP 126 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1f9n s THR 127 N -0.08 1.50 -0.05 2.12 2.01 -1.26 -1.03 115.64 118.86 1f9n s THR 127 Ca 0.00 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.63 1f9n s THR 127 Cb 0.00 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1f9n s THR 127 CO 0.00 -0.05 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.23 1f9n s ILE 128 N -1.10 0.38 -0.30 1.82 1.01 -0.17 -0.79 121.20 122.06 1f9n s ILE 128 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 1f9n s ILE 128 Cb -0.10 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 1f9n s ILE 128 CO 0.03 0.21 0.16 -0.22 0.00 0.00 0.00 174.94 175.12 1f9n s LEU 129 N 1.19 4.08 -0.29 2.97 0.20 -0.04 -1.44 118.68 125.35 1f9n s LEU 129 Ca -0.07 -0.42 -0.08 0.00 0.69 0.00 0.00 54.13 54.25 1f9n s LEU 129 Cb -0.14 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1f9n s LEU 129 CO -0.02 -0.17 0.10 -0.63 -0.29 0.00 0.00 176.35 175.35 1f9n s ILE 130 N 1.64 4.26 -0.25 6.68 1.01 0.20 -2.00 121.20 132.75 1f9n s ILE 130 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 1f9n s ILE 130 Cb -0.17 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1f9n s ILE 130 CO 0.07 0.15 0.24 -0.63 0.00 0.00 0.00 174.94 174.77 1f9n s ILE 131 N 1.57 5.29 0.24 2.92 1.01 -0.92 -0.53 121.20 130.78 1f9n s ILE 131 Ca 0.04 0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.10 1f9n s ILE 131 Cb -0.17 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1f9n s ILE 131 CO 0.04 0.27 0.03 0.00 0.00 0.00 0.00 174.94 175.27 1f9n h ARG 133 N 2.05 -1.25 -5.47 0.00 2.43 -1.16 -3.45 114.38 107.52 1f9n h ARG 133 Ca -0.46 0.09 -0.47 0.00 -0.81 0.00 0.00 59.98 58.33 1f9n h ARG 133 Cb 1.23 0.28 -0.14 0.00 -0.42 0.00 0.00 29.97 30.93 1f9n h ARG 133 CO 0.60 -0.84 -0.68 0.95 -1.51 0.00 0.00 179.97 178.49 1f9n s THR 134 N -5.84 1.59 0.35 0.20 -4.23 -1.26 -5.00 115.64 101.46 1f9n s THR 134 Ca -0.19 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 58.23 1f9n s THR 134 Cb 0.02 -2.36 0.28 0.00 1.34 0.00 0.00 72.50 71.79 1f9n s THR 134 CO 0.57 -0.36 1.97 -0.65 -0.54 0.00 0.00 174.62 175.61 1f9n h PRO 135 N 2.36 0.78 -0.34 3.99 0.11 -1.90 -0.17 132.00 136.84 1f9n h PRO 135 Ca -0.39 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 1f9n h PRO 135 Cb 1.23 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1f9n h PRO 135 CO 0.66 0.52 -0.30 0.93 -0.21 0.00 0.00 178.00 179.60 1f9n h GLU 136 N 0.81 0.72 0.00 1.05 3.07 -1.97 -2.29 114.58 115.98 1f9n h GLU 136 Ca 0.30 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1f9n h GLU 136 Cb 0.15 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1f9n h GLU 136 CO -0.09 0.93 -0.34 -0.44 -1.40 0.00 0.00 179.01 177.67 1f9n h ASP 137 N 0.61 0.00 -0.02 1.42 3.32 -1.60 -2.68 116.42 117.48 1f9n h ASP 137 Ca 0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1f9n h ASP 137 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1f9n h ASP 137 CO 0.07 0.34 -0.05 0.74 -1.72 0.00 0.00 179.24 178.61 1f9n h THR 138 N 0.00 1.49 -0.32 0.35 2.02 -0.75 -2.58 112.91 113.12 1f9n h THR 138 Ca -0.00 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.68 1f9n h THR 138 Cb 0.83 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.70 1f9n h THR 138 CO 0.04 0.40 0.21 -0.08 0.37 0.00 0.00 175.52 176.47 1f9n h GLU 139 N -0.54 0.32 0.14 6.66 4.57 -1.39 -1.61 114.58 122.74 1f9n h GLU 139 Ca -0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1f9n h GLU 139 Cb 0.68 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1f9n h GLU 139 CO 0.01 0.21 -0.07 0.78 -1.18 0.00 0.00 179.01 178.77 1f9n h GLY 140 N 0.33 -0.20 0.91 1.92 0.00 -1.45 -2.79 103.07 101.79 1f9n h GLY 140 Ca 0.13 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1f9n h GLY 140 CO -0.03 -0.07 0.54 -2.08 0.00 0.00 0.00 176.54 174.90 1f9n h VAL 141 N -0.66 1.03 0.07 4.60 2.07 -1.16 -1.07 116.25 121.12 1f9n h VAL 141 Ca -0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1f9n h VAL 141 Cb 0.49 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1f9n h VAL 141 CO 0.03 0.16 -0.07 0.50 0.02 0.00 0.00 177.57 178.21 1f9n h LYS 142 N 0.88 -0.15 -0.76 1.57 3.64 -1.29 -1.73 116.57 118.73 1f9n h LYS 142 Ca 0.36 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1f9n h LYS 142 Cb 0.27 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1f9n h LYS 142 CO -0.13 -0.10 0.25 -0.91 -2.27 0.00 0.00 179.45 176.29 1f9n h ASN 143 N -0.16 1.10 -0.98 4.20 2.35 -1.14 -1.64 115.58 119.31 1f9n h ASN 143 Ca 0.01 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1f9n h ASN 143 Cb 0.15 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.17 1f9n h ASN 143 CO -0.02 1.00 0.64 -0.09 -1.65 0.00 0.00 177.43 177.30 1f9n h ARG 144 N 1.13 1.15 -0.05 0.81 2.43 -0.94 0.24 114.38 119.15 1f9n h ARG 144 Ca 0.25 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 1f9n h ARG 144 Cb 0.29 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1f9n h ARG 144 CO -0.01 0.76 -0.79 -0.07 -1.51 0.00 0.00 179.97 178.35 1f9n h LEU 145 N 1.19 0.43 -0.77 3.80 3.38 -1.03 -3.09 115.31 119.22 1f9n h LEU 145 Ca 0.41 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1f9n h LEU 145 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1f9n h LEU 145 CO -0.15 1.06 -0.59 -0.07 0.09 0.00 0.00 178.44 178.78 1f9n h LEU 146 N 0.23 0.10 0.00 1.67 3.38 -0.49 -2.78 115.31 117.42 1f9n h LEU 146 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1f9n h LEU 146 Cb 1.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1f9n h LEU 146 CO 0.13 0.66 0.00 -0.62 0.09 0.00 0.00 178.44 178.70 1f9n n GLU 147 N -3.86 0.27 0.06 1.13 1.02 0.77 -3.52 120.64 116.51 1f9n n GLU 147 Ca -0.02 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.01 1f9n n GLU 147 Cb 0.59 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 1f9n n GLU 147 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1f9n h LEU 148 N 0.00 0.27 -0.26 -4.62 3.38 -1.41 -3.51 115.31 109.16 1f9n h LEU 148 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1f9n h LEU 148 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1f9n h LEU 148 CO 0.00 1.28 0.00 0.00 0.09 0.00 0.00 178.44 179.81