#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 0.34 0.86 3.52 3.64 -2.05 -0.23 116.57 122.64 1f9n h LYS 3 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1f9n h LYS 3 Cb 0.00 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1f9n h LYS 3 CO 0.00 0.23 -0.41 0.78 -2.27 0.00 0.00 179.45 177.78 1f9n h GLY 4 N 0.35 -1.20 1.08 5.01 0.00 -2.06 -0.94 103.07 105.32 1f9n h GLY 4 Ca 0.39 0.44 0.13 0.00 0.00 0.00 0.00 47.33 48.29 1f9n h GLY 4 CO -0.43 -0.44 0.34 1.46 0.00 0.00 0.00 176.54 177.47 1f9n h GLN 5 N -1.22 0.08 -0.24 4.80 4.20 -1.94 0.25 115.11 121.04 1f9n h GLN 5 Ca -0.12 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.41 1f9n h GLN 5 Cb 0.89 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1f9n h GLN 5 CO 0.19 0.05 -0.57 -0.09 -0.67 0.00 0.00 178.83 177.75 1f9n h ARG 6 N 0.08 0.76 -0.36 1.46 2.43 -0.80 -1.99 114.38 115.96 1f9n h ARG 6 Ca 0.23 -0.50 -0.09 0.00 -0.81 0.00 0.00 59.98 58.81 1f9n h ARG 6 Cb 0.80 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1f9n h ARG 6 CO -0.02 1.12 -0.15 0.45 -1.51 0.00 0.00 179.97 179.86 1f9n h HIS 7 N 0.58 0.72 -0.63 2.20 3.86 0.43 -1.24 115.15 121.06 1f9n h HIS 7 Ca 0.01 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.02 1f9n h HIS 7 Cb 1.16 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 1f9n h HIS 7 CO 0.06 0.77 0.14 0.82 0.86 0.00 0.00 177.93 180.58 1f9n h ILE 8 N 0.59 1.26 -0.30 2.45 2.04 -1.13 -2.40 117.51 120.02 1f9n h ILE 8 Ca 0.10 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 1f9n h ILE 8 Cb 0.59 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1f9n h ILE 8 CO 0.04 0.36 0.06 0.11 0.00 0.00 0.00 178.15 178.72 1f9n h LYS 9 N 0.94 0.49 -0.32 2.37 1.79 -0.99 -2.18 116.57 118.66 1f9n h LYS 9 Ca 0.20 -0.12 0.09 0.00 -2.18 0.00 0.00 60.65 58.63 1f9n h LYS 9 Cb 0.38 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1f9n h LYS 9 CO 0.01 0.57 0.23 0.82 -1.08 0.00 0.00 179.45 180.00 1f9n h ILE 10 N 0.32 0.85 0.19 1.86 2.04 -1.09 0.50 117.51 122.17 1f9n h ILE 10 Ca 0.09 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1f9n h ILE 10 Cb 0.31 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1f9n h ILE 10 CO 0.00 0.01 -0.09 0.03 0.00 0.00 0.00 178.15 178.10 1f9n h ARG 11 N 0.03 -0.24 -0.00 2.37 3.08 -0.89 -1.89 114.38 116.83 1f9n h ARG 11 Ca 0.15 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.25 1f9n h ARG 11 Cb 0.58 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1f9n h ARG 11 CO -0.01 0.09 -0.18 0.93 -1.07 0.00 0.00 179.97 179.73 1f9n h GLU 12 N -0.59 -0.28 -0.85 0.04 5.08 -0.68 -1.42 114.58 115.88 1f9n h GLU 12 Ca -0.03 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1f9n h GLU 12 Cb 0.44 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.68 1f9n h GLU 12 CO 0.04 -0.19 0.49 0.82 -1.00 0.00 0.00 179.01 179.17 1f9n h ILE 13 N -0.29 0.90 0.00 3.13 2.04 -0.98 0.18 117.51 122.49 1f9n h ILE 13 Ca 0.06 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1f9n h ILE 13 Cb 0.36 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1f9n h ILE 13 CO -0.17 0.15 -0.50 0.40 0.00 0.00 0.00 178.15 178.02 1f9n h ILE 14 N 0.80 1.09 0.00 -0.67 1.08 -1.01 0.60 117.51 119.40 1f9n h ILE 14 Ca 0.41 -1.91 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1f9n h ILE 14 Cb 0.40 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 1f9n h ILE 14 CO -0.26 0.49 -0.74 0.41 -0.69 0.00 0.00 178.15 177.36 1f9n n THR 15 N -3.55 0.10 -0.04 -0.27 -1.04 -0.56 -4.34 114.28 104.57 1f9n n THR 15 Ca -0.00 -0.11 -0.05 0.00 -2.04 0.00 0.00 64.05 61.84 1f9n n THR 15 Cb 0.60 0.27 -0.06 0.00 -1.82 0.00 0.00 70.33 69.32 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 -1.73 3.10 -4.52 8.00 7.64 0.58 -5.04 113.62 121.65 1f9n n SER 16 Ca 0.04 -0.02 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 1f9n n SER 16 Cb 0.38 0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.89 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 -4.32 3.93 -0.98 6.43 0.01 0.21 -5.05 114.94 115.17 1f9n s ASN 17 Ca -0.07 -0.72 -0.09 0.00 -0.71 0.00 0.00 52.86 51.27 1f9n s ASN 17 Cb 0.03 -0.53 0.25 0.00 0.41 0.00 0.00 41.25 41.41 1f9n s ASN 17 CO 0.29 0.10 0.94 -0.70 -1.51 0.00 0.00 177.10 176.22 1f9n s GLU 18 N -2.88 3.83 -0.40 -0.60 2.12 -1.26 -4.39 118.70 115.12 1f9n s GLU 18 Ca 0.24 -3.00 -0.06 0.00 0.36 0.00 0.00 54.97 52.50 1f9n s GLU 18 Cb -0.08 -4.39 -0.20 0.00 0.26 0.00 0.00 34.13 29.72 1f9n s GLU 18 CO 0.14 -1.25 3.14 -0.89 -0.54 0.00 0.00 175.26 175.85 1f9n n ILE 19 N 3.00 3.00 -0.11 -3.70 -0.00 -1.26 -4.84 119.36 115.44 1f9n n ILE 19 Ca 0.20 -1.60 0.10 0.00 -0.00 0.00 0.00 62.75 61.45 1f9n n ILE 19 Cb 0.41 -2.10 0.18 0.00 -0.00 0.00 0.00 39.64 38.13 1f9n n ILE 19 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1f9n n GLU 20 N 2.88 -0.02 -5.06 0.38 1.02 -1.26 -4.25 120.64 114.33 1f9n n GLU 20 Ca 0.47 0.49 -0.32 0.00 -0.02 0.00 0.00 57.16 57.78 1f9n n GLU 20 Cb 0.65 -0.85 -0.15 0.00 -0.02 0.00 0.00 31.44 31.07 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 -4.65 2.57 0.54 2.62 -4.23 -1.26 -4.99 115.64 106.24 1f9n s THR 21 Ca -0.03 -0.89 0.38 0.00 -1.18 0.00 0.00 61.69 59.97 1f9n s THR 21 Cb 0.11 -1.98 0.57 0.00 1.34 0.00 0.00 72.50 72.54 1f9n s THR 21 CO 0.27 0.57 1.78 -0.61 -0.54 0.00 0.00 174.62 176.09 1f9n h GLN 22 N 5.82 0.01 -0.56 3.99 4.15 -2.04 0.33 115.11 126.81 1f9n h GLN 22 Ca -0.38 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 58.95 1f9n h GLN 22 Cb 1.16 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 1f9n h GLN 22 CO 0.50 0.01 -0.03 0.22 -1.93 0.00 0.00 178.83 177.60 1f9n h ASP 23 N 0.01 0.97 -0.67 -0.69 3.58 -1.94 -3.09 116.42 114.60 1f9n h ASP 23 Ca 0.61 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1f9n h ASP 23 Cb 2.42 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 43.18 1f9n h ASP 23 CO -0.02 1.04 0.43 -0.33 -2.88 0.00 0.00 179.24 177.49 1f9n h GLU 24 N 0.91 0.88 -0.79 0.28 5.08 -0.64 -2.33 114.58 117.97 1f9n h GLU 24 Ca 0.16 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1f9n h GLU 24 Cb 0.56 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1f9n h GLU 24 CO 0.03 0.59 0.51 1.25 -1.00 0.00 0.00 179.01 180.40 1f9n h LEU 25 N 0.91 0.60 -1.28 1.33 6.46 -1.56 0.31 115.31 122.07 1f9n h LEU 25 Ca 0.24 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1f9n h LEU 25 Cb -0.09 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 1f9n h LEU 25 CO -0.05 0.35 -0.17 0.58 -0.62 0.00 0.00 178.44 178.52 1f9n h VAL 26 N 0.66 1.21 -0.06 1.05 2.07 -1.54 -2.08 116.25 117.56 1f9n h VAL 26 Ca 0.37 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1f9n h VAL 26 Cb 0.54 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1f9n h VAL 26 CO -0.14 0.29 -0.26 -0.78 0.02 0.00 0.00 177.57 176.70 1f9n h ASP 27 N 0.26 0.33 -0.03 0.57 1.82 -1.01 -2.08 116.42 116.28 1f9n h ASP 27 Ca 0.05 -0.65 0.01 0.00 -0.39 0.00 0.00 57.03 56.05 1f9n h ASP 27 Cb 0.46 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1f9n h ASP 27 CO 0.03 0.93 -0.04 0.24 -1.61 0.00 0.00 179.24 178.78 1f9n h MET 28 N -0.24 -0.06 -0.03 0.28 2.86 -1.26 0.01 114.93 116.49 1f9n h MET 28 Ca -0.02 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1f9n h MET 28 Cb 0.91 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1f9n h MET 28 CO 0.05 -0.04 -0.03 -0.07 1.06 0.00 0.00 176.91 177.89 1f9n h LEU 29 N -0.06 -0.09 -1.35 1.22 3.38 -1.46 -1.62 115.31 115.33 1f9n h LEU 29 Ca 0.03 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.20 1f9n h LEU 29 Cb 0.10 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1f9n h LEU 29 CO -0.07 -0.04 0.59 0.11 0.09 0.00 0.00 178.44 179.12 1f9n h LYS 30 N -0.04 0.55 -0.57 1.13 1.57 -1.11 0.15 116.57 118.25 1f9n h LYS 30 Ca 0.02 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1f9n h LYS 30 Cb 0.07 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1f9n h LYS 30 CO -0.06 0.36 0.31 0.37 -0.57 0.00 0.00 179.45 179.87 1f9n h GLN 31 N 0.57 0.57 -7.65 3.15 4.15 0.00 -3.40 115.11 112.50 1f9n h GLN 31 Ca 0.48 -0.03 -0.45 0.00 0.77 0.00 0.00 58.65 59.41 1f9n h GLN 31 Cb 0.97 -0.13 0.14 0.00 0.21 0.00 0.00 27.48 28.67 1f9n h GLN 31 CO -0.22 0.38 0.35 -0.51 -1.93 0.00 0.00 178.83 176.89 1f9n s ASP 32 N -5.54 3.47 -0.10 -0.69 1.11 0.53 -4.87 116.67 110.58 1f9n s ASP 32 Ca -0.13 0.14 -0.02 0.00 0.18 0.00 0.00 52.55 52.72 1f9n s ASP 32 Cb 0.15 -0.28 -0.07 0.00 1.07 0.00 0.00 42.92 43.78 1f9n s ASP 32 CO 0.75 -2.49 1.52 0.61 1.18 0.00 0.00 175.17 176.74 1f9n n GLY 33 N -3.52 1.80 2.66 0.21 0.00 -1.26 -4.70 105.19 100.37 1f9n n GLY 33 Ca 0.15 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 2.71 0.16 -0.91 1.61 1.51 -1.22 -5.05 117.35 116.16 1f9n s TYR 34 Ca 0.21 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.31 1f9n s TYR 34 Cb 0.09 -0.58 0.32 0.00 -0.11 0.00 0.00 41.96 41.68 1f9n s TYR 34 CO -0.00 -0.31 1.53 0.36 -1.11 0.00 0.00 175.55 176.02 1f9n n LYS 35 N 5.28 4.69 -1.77 -0.62 0.00 -1.26 -2.82 118.16 121.64 1f9n n LYS 35 Ca -0.05 -4.70 -0.31 0.00 -0.00 0.00 0.00 58.31 53.26 1f9n n LYS 35 Cb 0.50 -2.41 0.04 0.00 -0.00 0.00 0.00 35.03 33.15 1f9n n LYS 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1f9n s VAL 36 N -4.08 4.08 0.40 0.58 0.11 -1.26 -5.09 120.40 115.14 1f9n s VAL 36 Ca 0.40 0.68 0.08 0.00 -2.93 0.00 0.00 61.98 60.21 1f9n s VAL 36 Cb 0.19 -3.59 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1f9n s VAL 36 CO -0.10 -0.88 0.42 0.42 -3.33 0.00 0.00 175.10 171.63 1f9n s THR 37 N -3.19 3.00 0.31 5.04 -4.23 -1.26 -5.00 115.64 110.31 1f9n s THR 37 Ca 0.57 -1.23 0.10 0.00 -1.18 0.00 0.00 61.69 59.95 1f9n s THR 37 Cb -0.12 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.69 1f9n s THR 37 CO 0.54 -0.04 1.71 1.56 -0.54 0.00 0.00 174.62 177.85 1f9n h GLN 38 N 0.95 0.06 0.00 3.99 4.20 -2.00 -2.64 115.11 119.67 1f9n h GLN 38 Ca -0.42 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.19 1f9n h GLN 38 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1f9n h GLN 38 CO 0.54 0.53 -0.31 0.00 -0.67 0.00 0.00 178.83 178.92 1f9n h ALA 39 N 1.46 1.22 0.16 3.87 0.00 -1.99 -2.71 119.26 121.27 1f9n h ALA 39 Ca -0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.39 1f9n h ALA 39 Cb 0.87 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.63 1f9n h ALA 39 CO 0.07 0.39 -1.09 1.15 0.00 0.00 0.00 179.25 179.76 1f9n h THR 40 N 0.00 1.35 0.26 0.00 2.02 -1.90 -3.17 112.91 111.47 1f9n h THR 40 Ca -0.00 -2.54 -0.00 0.00 0.77 0.00 0.00 66.41 64.64 1f9n h THR 40 Cb 0.66 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 1f9n h THR 40 CO 0.04 0.73 -0.21 0.58 0.37 0.00 0.00 175.52 177.04 1f9n h VAL 41 N -0.25 0.56 -0.00 3.16 2.07 -1.41 0.43 116.25 120.80 1f9n h VAL 41 Ca -0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1f9n h VAL 41 Cb 1.78 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1f9n h VAL 41 CO 0.15 0.00 0.01 0.77 0.02 0.00 0.00 177.57 178.53 1f9n h SER 42 N -0.48 0.00 0.47 0.57 4.64 -1.64 0.12 113.55 117.23 1f9n h SER 42 Ca -0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.00 1f9n h SER 42 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1f9n h SER 42 CO -0.02 0.00 -1.44 -0.09 -0.87 0.00 0.00 176.83 174.42 1f9n h ARG 43 N 0.00 0.31 0.00 4.77 2.43 -1.01 -3.28 114.38 117.60 1f9n h ARG 43 Ca 0.00 -0.54 -0.08 0.00 -0.81 0.00 0.00 59.98 58.56 1f9n h ARG 43 Cb 0.03 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1f9n h ARG 43 CO -0.00 1.22 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.87 1f9n h ASP 44 N 0.09 0.00 -0.23 -3.80 3.32 0.23 -2.89 116.42 113.13 1f9n h ASP 44 Ca -0.21 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1f9n h ASP 44 Cb 2.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.57 1f9n h ASP 44 CO 0.20 0.37 -0.02 0.40 -1.72 0.00 0.00 179.24 178.46 1f9n h ILE 45 N 0.00 1.27 -0.42 0.35 2.04 -1.22 -0.97 117.51 118.55 1f9n h ILE 45 Ca -0.00 -0.96 -0.12 0.00 1.00 0.00 0.00 64.86 64.78 1f9n h ILE 45 Cb 0.92 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1f9n h ILE 45 CO 0.05 0.30 -0.20 0.11 0.00 0.00 0.00 178.15 178.40 1f9n h LYS 46 N 0.18 0.84 -0.56 2.37 1.57 -1.61 0.71 116.57 120.07 1f9n h LYS 46 Ca 0.06 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 1f9n h LYS 46 Cb 0.45 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1f9n h LYS 46 CO 0.02 0.97 -0.07 0.93 -0.57 0.00 0.00 179.45 180.72 1f9n h GLU 47 N 0.73 1.04 0.00 3.15 5.08 -1.46 -2.75 114.58 120.37 1f9n h GLU 47 Ca 0.10 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1f9n h GLU 47 Cb 0.73 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1f9n h GLU 47 CO 0.06 1.06 -0.08 1.28 -1.00 0.00 0.00 179.01 180.33 1f9n n LEU 48 N -4.17 0.58 -2.16 1.33 4.77 -0.38 -4.93 117.00 112.04 1f9n n LEU 48 Ca 0.02 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1f9n n LEU 48 Cb 0.38 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1f9n n LEU 48 CO 0.45 -0.11 0.12 1.41 -1.33 0.00 0.00 177.39 177.93 1f9n n HIS 49 N -2.02 -1.54 -2.04 -1.77 8.25 0.08 -4.45 115.22 111.72 1f9n n HIS 49 Ca 0.06 0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 1f9n n HIS 49 Cb 0.40 -3.21 -0.03 0.00 1.12 0.00 0.00 29.99 28.28 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 -4.43 4.36 0.00 2.41 1.43 -0.28 -4.26 118.68 117.91 1f9n s LEU 50 Ca 0.31 2.41 0.04 0.00 -1.03 0.00 0.00 54.13 55.85 1f9n s LEU 50 Cb -0.13 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 1f9n s LEU 50 CO 0.38 -0.78 0.17 0.52 0.23 0.00 0.00 176.35 176.87 1f9n n VAL 51 N 4.32 0.00 -4.89 -1.59 0.31 -1.26 -4.88 118.33 110.33 1f9n n VAL 51 Ca 0.14 -1.29 -0.28 0.00 -0.01 0.00 0.00 64.34 62.89 1f9n n VAL 51 Cb 0.41 0.66 -0.17 0.00 -0.91 0.00 0.00 33.84 33.84 1f9n n VAL 51 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1f9n s LYS 52 N -2.70 2.30 0.20 5.55 1.02 -1.26 -3.20 119.74 121.65 1f9n s LYS 52 Ca 0.21 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1f9n s LYS 52 Cb 0.01 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1f9n s LYS 52 CO 0.15 0.11 0.36 0.08 -0.92 0.00 0.00 175.35 175.14 1f9n s VAL 53 N 0.47 5.24 -0.20 3.17 1.01 -0.80 -4.82 120.40 124.48 1f9n s VAL 53 Ca -0.16 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1f9n s VAL 53 Cb -0.16 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1f9n s VAL 53 CO 0.06 -0.18 2.05 -2.84 0.00 0.00 0.00 175.10 174.18 1f9n s PRO 54 N -3.40 3.38 -0.10 2.72 0.02 -1.26 -3.17 135.00 133.19 1f9n s PRO 54 Ca 0.37 1.97 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 1f9n s PRO 54 Cb -0.11 -4.28 -0.03 0.00 0.02 0.00 0.00 34.50 30.11 1f9n s PRO 54 CO 0.29 -1.81 -0.06 0.99 -0.33 0.00 0.00 177.00 176.08 1f9n s THR 55 N 7.16 3.71 -1.89 0.99 2.01 -1.26 -5.01 115.64 121.35 1f9n s THR 55 Ca 0.92 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1f9n s THR 55 Cb -0.32 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1f9n s THR 55 CO 0.35 0.56 0.00 -0.46 -0.69 0.00 0.00 174.62 174.39 1f9n n ASN 56 N 2.68 0.00 -1.73 3.53 0.23 -1.26 -3.40 115.26 115.31 1f9n n ASN 56 Ca -0.18 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.72 1f9n n ASN 56 Cb 0.53 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.29 1f9n n ASN 56 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1f9n n ASN 57 N -0.44 3.89 0.00 0.53 4.13 -1.26 -4.93 115.26 117.18 1f9n n ASN 57 Ca 0.00 -3.64 0.00 0.00 1.68 0.00 0.00 54.58 52.62 1f9n n ASN 57 Cb 0.00 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 1f9n n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f9n n GLY 58 N -0.77 0.00 3.75 7.41 0.00 -1.22 -4.88 105.19 109.49 1f9n n GLY 58 Ca 0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 1f9n n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f9n s SER 59 N -1.66 5.18 0.19 1.61 0.01 -1.26 -5.09 113.70 112.68 1f9n s SER 59 Ca 0.00 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.84 1f9n s SER 59 Cb 0.00 -1.22 -0.06 0.00 0.21 0.00 0.00 66.02 64.94 1f9n s SER 59 CO 0.00 0.01 0.48 -0.72 0.41 0.00 0.00 173.24 173.41 1f9n s TYR 60 N -2.05 3.45 -0.33 2.43 1.13 -1.26 -4.05 117.35 116.66 1f9n s TYR 60 Ca 0.31 0.73 -0.03 0.00 -1.41 0.00 0.00 57.07 56.68 1f9n s TYR 60 Cb -0.08 -2.15 0.06 0.00 -1.10 0.00 0.00 41.96 38.69 1f9n s TYR 60 CO 0.23 0.34 0.06 -1.59 -2.51 0.00 0.00 175.55 172.07 1f9n s LYS 61 N -2.77 2.37 -1.28 -3.49 0.00 -1.19 -4.97 119.74 108.41 1f9n s LYS 61 Ca 0.45 -1.37 -0.16 0.00 0.00 0.00 0.00 55.97 54.89 1f9n s LYS 61 Cb -0.12 -3.31 0.11 0.00 0.00 0.00 0.00 37.83 34.52 1f9n s LYS 61 CO 0.23 -0.72 1.67 2.48 0.00 0.00 0.00 175.35 179.00 1f9n n TYR 62 N 4.64 4.63 -1.10 1.78 4.11 -1.26 -1.90 117.16 128.06 1f9n n TYR 62 Ca -0.11 -3.04 0.00 0.00 -0.00 0.00 0.00 57.90 54.75 1f9n n TYR 62 Cb 0.43 -2.43 0.00 0.00 -0.00 0.00 0.00 39.34 37.34 1f9n n TYR 62 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1f9n n SER 63 N 6.99 0.00 -4.90 9.48 2.88 -1.19 -4.95 113.62 121.93 1f9n n SER 63 Ca 0.44 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.68 1f9n n SER 63 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1f9n n SER 63 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1f9n s LEU 64 N 0.00 4.25 0.42 2.46 2.96 -1.26 -4.34 118.68 123.17 1f9n s LEU 64 Ca 0.00 0.55 0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1f9n s LEU 64 Cb 0.00 -3.29 0.90 0.00 0.50 0.00 0.00 46.19 44.30 1f9n s LEU 64 CO 0.00 0.02 2.03 -0.65 -1.32 0.00 0.00 176.35 176.44 1f9n h PRO 65 N 2.61 0.51 0.00 0.98 0.11 -1.78 -2.88 132.00 131.54 1f9n h PRO 65 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1f9n h PRO 65 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1f9n h PRO 65 CO 0.72 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 1f9n n ALA 66 N -2.49 1.02 -0.00 -0.75 0.00 -1.26 -4.27 120.51 112.75 1f9n n ALA 66 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1f9n n ALA 66 Cb 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1f9n n ALA 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1f9n n ASP 67 N -0.46 0.00 -2.46 0.00 5.68 -1.09 -4.64 116.55 113.58 1f9n n ASP 67 Ca 0.00 -1.80 -0.04 0.00 -0.50 0.00 0.00 54.79 52.45 1f9n n ASP 67 Cb 0.00 -0.31 -0.04 0.00 -1.14 0.00 0.00 41.12 39.62 1f9n n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1f9n n GLN 68 N 4.25 0.62 -2.07 0.11 6.02 -1.26 -2.97 117.38 122.08 1f9n n GLN 68 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1f9n n GLN 68 Cb 0.00 -1.72 0.03 0.00 1.02 0.00 0.00 30.24 29.57 1f9n n GLN 68 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1f9n n ARG 69 N 3.10 0.81 -0.74 -1.09 1.74 -1.26 -4.89 116.66 114.33 1f9n n ARG 69 Ca 0.13 -2.27 -0.04 0.00 -0.77 0.00 0.00 57.85 54.91 1f9n n ARG 69 Cb 0.23 -0.43 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 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 -0.26 0.00 -3.82 -1.55 -0.00 -1.16 -5.14 117.46 105.53 1f9n n PHE 70 Ca -0.02 -0.27 -0.36 0.00 -0.00 0.00 0.00 57.45 56.80 1f9n n PHE 70 Cb 0.92 0.38 -0.07 0.00 -0.00 0.00 0.00 39.48 40.71 1f9n n PHE 70 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1f9n s ASN 71 N -0.53 6.32 0.94 -2.13 0.01 -1.26 -5.10 114.94 113.19 1f9n s ASN 71 Ca 0.00 0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.53 1f9n s ASN 71 Cb 0.00 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.58 1f9n s ASN 71 CO 0.00 0.32 0.00 -2.65 -1.51 0.00 0.00 177.10 173.26 1f9n n PRO 72 N 2.59 -1.52 0.06 -0.60 -0.02 -1.26 -4.86 135.00 129.38 1f9n n PRO 72 Ca -0.18 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1f9n n PRO 72 Cb 0.54 0.00 0.40 0.00 -0.02 0.00 0.00 33.50 34.42 1f9n n PRO 72 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1f9n n LEU 73 N 0.00 0.54 0.03 2.45 7.94 -1.26 -3.01 117.00 123.68 1f9n n LEU 73 Ca 0.00 0.43 -0.03 0.00 -1.11 0.00 0.00 56.01 55.29 1f9n n LEU 73 Cb 0.00 -0.33 0.20 0.00 0.53 0.00 0.00 43.42 43.82 1f9n n LEU 73 CO 0.00 -0.07 0.72 0.77 -1.11 0.00 0.00 177.39 177.70 1f9n h SER 74 N 0.00 0.46 -0.25 1.96 4.64 -1.99 -1.18 113.55 117.18 1f9n h SER 74 Ca 0.00 -0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1f9n h SER 74 Cb 0.65 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1f9n h SER 74 CO 0.00 0.72 0.18 0.50 -0.87 0.00 0.00 176.83 177.37 1f9n h LYS 75 N 0.40 0.00 0.07 4.77 1.63 -1.87 0.19 116.57 121.77 1f9n h LYS 75 Ca 0.06 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.58 1f9n h LYS 75 Cb 0.69 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1f9n h LYS 75 CO 0.05 0.00 -1.41 1.25 -3.45 0.00 0.00 179.45 175.89 1f9n h LEU 76 N 0.00 0.25 0.69 5.20 5.85 -1.42 -3.26 115.31 122.61 1f9n h LEU 76 Ca 0.12 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1f9n h LEU 76 Cb 0.49 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1f9n h LEU 76 CO -0.00 1.27 -0.33 0.11 -0.34 0.00 0.00 178.44 179.15 1f9n h LYS 77 N 0.04 -0.90 -0.41 1.25 6.56 -0.19 -0.89 116.57 122.04 1f9n h LYS 77 Ca -0.19 0.06 0.07 0.00 -1.06 0.00 0.00 60.65 59.53 1f9n h LYS 77 Cb 1.96 0.20 -0.06 0.00 -0.57 0.00 0.00 32.23 33.76 1f9n h LYS 77 CO 0.15 -0.60 0.05 0.07 -2.06 0.00 0.00 179.45 177.05 1f9n h ARG 78 N -0.94 0.16 -0.32 3.15 -0.00 -1.48 0.26 114.38 115.21 1f9n h ARG 78 Ca -0.10 -0.01 0.03 0.00 -0.00 0.00 0.00 59.98 59.91 1f9n h ARG 78 Cb 0.72 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 30.62 1f9n h ARG 78 CO 0.16 0.11 0.12 0.00 -0.00 0.00 0.00 179.97 180.35 1f9n h ALA 79 N 1.33 0.37 -0.18 0.08 0.00 -1.58 -2.31 119.26 116.97 1f9n h ALA 79 Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1f9n h ALA 79 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1f9n h ALA 79 CO -0.29 -0.27 0.04 -0.07 0.00 0.00 0.00 179.25 178.66 1f9n h LEU 80 N 0.27 0.28 -2.35 0.00 4.07 -0.66 -1.63 115.31 115.28 1f9n h LEU 80 Ca 0.14 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.89 1f9n h LEU 80 Cb 0.10 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1f9n h LEU 80 CO -0.13 0.43 0.07 0.24 -1.08 0.00 0.00 178.44 177.97 1f9n h MET 81 N 0.10 0.00 0.00 1.13 2.86 -0.80 0.40 114.93 118.63 1f9n h MET 81 Ca 0.06 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.50 1f9n h MET 81 Cb 0.27 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1f9n h MET 81 CO 0.00 0.00 -1.75 -0.25 1.06 0.00 0.00 176.91 175.97 1f9n n ASP 82 N -3.90 0.53 -0.00 1.22 8.00 -0.88 -4.60 116.55 116.92 1f9n n ASP 82 Ca -0.01 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1f9n n ASP 82 Cb 0.16 0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 41.87 1f9n n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f9n n ALA 83 N -2.47 2.07 -1.66 2.24 0.00 -0.64 -4.94 120.51 115.12 1f9n n ALA 83 Ca -0.15 -0.03 -0.45 0.00 0.00 0.00 0.00 53.44 52.80 1f9n n ALA 83 Cb 0.89 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.96 2.09 0.00 0.00 7.35 0.14 -1.05 117.46 125.03 1f9n n PHE 84 Ca 0.00 0.44 0.00 0.00 -0.76 0.00 0.00 57.45 57.13 1f9n n PHE 84 Cb 0.01 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.38 1f9n n PHE 84 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1f9n n VAL 85 N 2.07 0.00 -3.58 -2.13 0.31 -0.99 -4.82 118.33 109.19 1f9n n VAL 85 Ca 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.39 1f9n n VAL 85 Cb 0.30 -0.37 -0.03 0.00 -0.91 0.00 0.00 33.84 32.83 1f9n n VAL 85 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1f9n s LYS 86 N -1.53 0.46 -0.06 5.55 2.20 -1.05 -5.02 119.74 120.30 1f9n s LYS 86 Ca 0.00 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.52 1f9n s LYS 86 Cb 0.00 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1f9n s LYS 86 CO 0.00 -0.18 0.13 -1.50 -0.36 0.00 0.00 175.35 173.44 1f9n s ILE 87 N -1.94 -0.03 0.23 5.43 2.07 -1.26 -1.33 121.20 124.37 1f9n s ILE 87 Ca 0.05 0.10 0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1f9n s ILE 87 Cb -0.01 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.32 1f9n s ILE 87 CO -0.04 0.04 -0.06 -1.81 -1.91 0.00 0.00 174.94 171.16 1f9n s ASP 88 N 0.65 2.18 0.09 4.50 1.01 -0.36 -5.00 116.67 119.73 1f9n s ASP 88 Ca -0.05 -1.15 -0.07 0.00 0.71 0.00 0.00 52.55 51.99 1f9n s ASP 88 Cb -0.06 -0.06 -0.01 0.00 1.01 0.00 0.00 42.92 43.79 1f9n s ASP 88 CO -0.03 -0.39 0.17 -0.55 0.21 0.00 0.00 175.17 174.58 1f9n s SER 89 N -3.32 0.17 0.00 0.27 0.15 -1.26 -1.56 113.70 108.15 1f9n s SER 89 Ca 0.26 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1f9n s SER 89 Cb 0.04 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1f9n s SER 89 CO 0.08 -0.73 0.00 0.00 1.20 0.00 0.00 173.24 173.79 1f9n n ALA 90 N -0.06 0.00 -0.51 5.45 0.00 -0.32 -4.98 120.51 120.09 1f9n n ALA 90 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1f9n n ALA 90 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.48 0.00 -0.00 0.00 3.41 -1.26 -3.80 113.62 110.49 1f9n n SER 91 Ca 0.00 0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.84 1f9n n SER 91 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.58 0.00 -3.68 7.33 8.25 -1.26 -4.22 115.22 121.06 1f9n n HIS 92 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1f9n n HIS 92 Cb 0.00 -0.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.97 4.09 -0.15 -0.41 1.00 -1.25 -1.04 119.30 119.57 1f9n s MET 93 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 55.69 55.61 1f9n s MET 93 Cb 0.05 -3.38 -0.01 0.00 0.00 0.00 0.00 34.83 31.49 1f9n s MET 93 CO 0.31 0.37 -0.12 0.42 0.00 0.00 0.00 175.02 176.00 1f9n s ILE 94 N 0.14 3.06 -0.39 2.53 1.01 0.09 -1.17 121.20 126.46 1f9n s ILE 94 Ca 0.12 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1f9n s ILE 94 Cb -0.12 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.09 1f9n s ILE 94 CO 0.01 0.51 0.22 -0.69 0.00 0.00 0.00 174.94 174.98 1f9n s VAL 95 N 0.63 4.31 -0.31 2.92 1.01 -0.60 -0.61 120.40 127.75 1f9n s VAL 95 Ca -0.07 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1f9n s VAL 95 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1f9n s VAL 95 CO 0.03 -0.35 0.15 -0.22 0.00 0.00 0.00 175.10 174.71 1f9n s LEU 96 N 1.47 4.09 -0.08 3.92 2.96 0.79 -1.23 118.68 130.61 1f9n s LEU 96 Ca 0.02 -0.48 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 1f9n s LEU 96 Cb -0.21 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 1f9n s LEU 96 CO 0.04 -0.18 0.26 -0.54 -1.32 0.00 0.00 176.35 174.61 1f9n s LYS 97 N 1.63 3.76 0.39 1.98 3.01 -0.44 0.07 119.74 130.13 1f9n s LYS 97 Ca 0.05 0.10 0.05 0.00 -1.01 0.00 0.00 55.97 55.15 1f9n s LYS 97 Cb -0.17 -3.24 -0.02 0.00 -1.01 0.00 0.00 37.83 33.38 1f9n s LYS 97 CO 0.07 0.65 0.18 0.95 0.51 0.00 0.00 175.35 177.70 1f9n s THR 98 N -0.79 0.40 0.57 2.17 -4.23 -0.76 -2.34 115.64 110.65 1f9n s THR 98 Ca 0.18 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.50 1f9n s THR 98 Cb -0.14 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1f9n s THR 98 CO 0.07 0.00 1.21 -0.32 -0.54 0.00 0.00 174.62 175.04 1f9n s MET 99 N -3.63 3.11 0.35 3.99 1.75 -0.21 -4.77 119.30 119.89 1f9n s MET 99 Ca 0.28 1.84 -0.26 0.00 -1.25 0.00 0.00 55.69 56.30 1f9n s MET 99 Cb 0.02 -2.02 -0.12 0.00 2.84 0.00 0.00 34.83 35.55 1f9n s MET 99 CO 0.18 -1.10 1.05 -2.30 -0.65 0.00 0.00 175.02 172.20 1f9n n PRO 100 N -1.39 1.48 -2.34 4.11 -0.02 -1.26 -2.83 135.00 132.74 1f9n n PRO 100 Ca 0.12 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1f9n n PRO 100 Cb 0.49 -2.00 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.13 -0.21 0.00 -1.23 0.00 -1.26 -4.87 105.19 98.75 1f9n n GLY 101 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.80 0.61 0.06 1.61 3.02 -1.13 -4.85 115.26 113.78 1f9n n ASN 102 Ca -0.16 -0.12 -0.12 0.00 -0.03 0.00 0.00 54.58 54.16 1f9n n ASN 102 Cb 0.62 0.36 -0.07 0.00 -0.61 0.00 0.00 39.78 40.08 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 -0.07 -0.48 5.41 0.00 -1.82 -2.14 119.26 120.16 1f9n h ALA 103 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1f9n h ALA 103 Cb 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1f9n h ALA 103 CO 0.00 -0.55 -0.01 1.96 0.00 0.00 0.00 179.25 180.65 1f9n h GLN 104 N -0.09 0.10 0.36 0.00 1.08 -1.89 -0.32 115.11 114.35 1f9n h GLN 104 Ca 0.01 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1f9n h GLN 104 Cb 0.10 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1f9n h GLN 104 CO -0.02 0.07 -0.19 0.00 -0.95 0.00 0.00 178.83 177.74 1f9n h ALA 105 N 1.43 -0.51 -0.52 3.87 0.00 -1.86 -2.19 119.26 119.48 1f9n h ALA 105 Ca 0.24 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1f9n h ALA 105 Cb 0.36 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1f9n h ALA 105 CO -0.41 -0.79 0.14 0.82 0.00 0.00 0.00 179.25 179.02 1f9n h ILE 106 N -0.51 0.76 0.09 0.00 1.08 -1.04 -2.05 117.51 115.84 1f9n h ILE 106 Ca -0.05 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1f9n h ILE 106 Cb 0.40 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1f9n h ILE 106 CO 0.07 0.05 -0.37 1.23 -0.69 0.00 0.00 178.15 178.44 1f9n h GLY 107 N 0.30 -0.72 0.31 5.37 0.00 -0.85 0.39 103.07 107.86 1f9n h GLY 107 Ca 0.26 0.45 0.19 0.00 0.00 0.00 0.00 47.33 48.23 1f9n h GLY 107 CO -0.30 -0.26 0.60 0.00 0.00 0.00 0.00 176.54 176.58 1f9n h ALA 108 N -0.02 2.06 -0.08 3.60 0.00 -1.04 -0.73 119.26 123.05 1f9n h ALA 108 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f9n h ALA 108 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f9n h ALA 108 CO -0.24 -0.35 -0.00 -0.07 0.00 0.00 0.00 179.25 178.59 1f9n h LEU 109 N 0.51 0.15 -1.84 0.00 4.07 -0.48 -3.03 115.31 114.69 1f9n h LEU 109 Ca 0.49 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1f9n h LEU 109 Cb 1.06 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.75 1f9n h LEU 109 CO -0.22 0.42 -0.08 0.24 -1.08 0.00 0.00 178.44 177.73 1f9n h MET 110 N -0.14 0.00 0.00 1.13 2.86 0.44 -1.68 114.93 117.55 1f9n h MET 110 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1f9n h MET 110 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1f9n h MET 110 CO 0.00 0.08 0.00 -0.25 1.06 0.00 0.00 176.91 177.81 1f9n n ASP 111 N -4.43 0.02 -1.03 1.22 8.00 -0.63 -2.34 116.55 117.36 1f9n n ASP 111 Ca -0.03 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.09 1f9n n ASP 111 Cb 0.16 -0.51 0.16 0.00 -0.02 0.00 0.00 41.12 40.91 1f9n n ASP 111 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f9n n ASN 112 N -1.53 3.21 0.09 -2.24 3.02 -0.63 -4.27 115.26 112.92 1f9n n ASN 112 Ca 0.04 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.41 1f9n n ASN 112 Cb 0.22 -0.15 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 1f9n n ASN 112 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1f9n h LEU 113 N 4.34 0.64 -2.63 3.41 3.38 -1.52 -3.50 115.31 119.44 1f9n h LEU 113 Ca 0.00 -0.94 -0.04 0.00 0.09 0.00 0.00 57.88 56.99 1f9n h LEU 113 Cb 0.95 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 41.53 1f9n h LEU 113 CO 0.00 1.55 -0.14 0.47 0.09 0.00 0.00 178.44 180.41 1f9n n ASP 114 N -3.93 -5.35 -4.55 -0.43 8.00 -1.26 -5.03 116.55 104.01 1f9n n ASP 114 Ca -0.16 -0.14 -0.37 0.00 0.71 0.00 0.00 54.79 54.83 1f9n n ASP 114 Cb 0.95 -3.56 -0.11 0.00 -0.02 0.00 0.00 41.12 38.38 1f9n n ASP 114 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1f9n s TRP 115 N -3.06 3.18 0.55 1.24 0.51 -1.26 -4.96 118.94 115.14 1f9n s TRP 115 Ca 0.07 -0.07 0.29 0.00 -2.12 0.00 0.00 56.10 54.27 1f9n s TRP 115 Cb -0.01 -2.30 1.46 0.00 -0.81 0.00 0.00 33.47 31.81 1f9n s TRP 115 CO 0.45 -0.19 1.92 -0.44 -0.51 0.00 0.00 176.95 178.19 1f9n h ASP 116 N 8.14 0.00 0.39 2.95 5.19 -2.03 -2.31 116.42 128.74 1f9n h ASP 116 Ca -0.37 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 1f9n h ASP 116 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1f9n h ASP 116 CO 0.58 0.00 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.18 1f9n h GLU 117 N 0.00 -0.50 -6.04 3.56 3.07 -1.93 -3.43 114.58 109.31 1f9n h GLU 117 Ca 0.30 0.03 -0.57 0.00 -0.50 0.00 0.00 59.36 58.63 1f9n h GLU 117 Cb 1.33 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 29.29 1f9n h GLU 117 CO -0.00 -0.32 -0.04 0.00 -1.40 0.00 0.00 179.01 177.25 1f9n s MET 118 N -5.99 4.28 0.00 2.33 0.23 -0.87 -1.19 119.30 118.09 1f9n s MET 118 Ca -0.16 0.67 0.23 0.00 -1.03 0.00 0.00 55.69 55.41 1f9n s MET 118 Cb 0.04 -3.34 0.08 0.00 -1.53 0.00 0.00 34.83 30.08 1f9n s MET 118 CO 0.63 0.37 1.12 0.00 -2.03 0.00 0.00 175.02 175.11 1f9n n MET 119 N 2.75 0.00 0.00 3.16 0.00 -0.42 -4.67 117.12 117.94 1f9n n MET 119 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.62 1f9n n MET 119 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.23 1f9n n MET 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1f9n n GLY 120 N 1.50 2.75 3.03 3.17 0.00 -1.25 -5.06 105.19 109.33 1f9n n GLY 120 Ca 0.05 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 0.76 -0.12 2.61 -4.23 -1.26 -2.80 115.64 108.59 1f9n s THR 121 Ca 0.00 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1f9n s THR 121 Cb 0.00 -0.63 -0.01 0.00 1.34 0.00 0.00 72.50 73.19 1f9n s THR 121 CO 0.00 0.21 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.63 1f9n s ILE 122 N -0.24 2.89 -0.01 2.99 2.07 -0.81 -4.99 121.20 123.10 1f9n s ILE 122 Ca 0.04 -0.73 0.07 0.00 -1.41 0.00 0.00 60.65 58.62 1f9n s ILE 122 Cb -0.04 -2.19 -0.02 0.00 0.13 0.00 0.00 42.46 40.34 1f9n s ILE 122 CO -0.00 0.54 -0.23 0.00 -1.91 0.00 0.00 174.94 173.33 1f9n n GLY 124 N 2.37 3.40 3.49 0.00 0.00 -0.15 -4.94 105.19 109.36 1f9n n GLY 124 Ca -0.16 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 1f9n n GLY 124 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f9n s ASP 125 N -3.23 6.21 0.00 1.61 -1.08 -1.26 -3.50 116.67 115.42 1f9n s ASP 125 Ca 0.08 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 1f9n s ASP 125 Cb -0.01 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1f9n s ASP 125 CO 0.05 -1.48 0.00 -0.90 0.52 0.00 0.00 175.17 173.36 1f9n n ASP 126 N 8.00 0.00 -3.78 -0.34 5.75 -1.26 -4.69 116.55 120.23 1f9n n ASP 126 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.63 1f9n n ASP 126 Cb 0.47 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.41 1f9n n ASP 126 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1f9n s THR 127 N -2.00 -0.04 -0.11 2.12 2.01 -1.23 -1.83 115.64 114.56 1f9n s THR 127 Ca 0.00 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1f9n s THR 127 Cb 0.00 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.38 1f9n s THR 127 CO 0.00 0.07 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.16 1f9n s ILE 128 N 0.88 1.87 -0.29 1.82 1.01 0.11 -0.98 121.20 125.63 1f9n s ILE 128 Ca -0.07 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1f9n s ILE 128 Cb -0.10 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1f9n s ILE 128 CO -0.03 0.52 0.06 -0.22 0.00 0.00 0.00 174.94 175.26 1f9n s LEU 129 N 0.58 3.72 -0.12 2.97 1.98 -0.39 -0.14 118.68 127.28 1f9n s LEU 129 Ca -0.14 -0.72 -0.05 0.00 -2.89 0.00 0.00 54.13 50.34 1f9n s LEU 129 Cb -0.17 -1.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.80 1f9n s LEU 129 CO 0.04 -0.17 0.05 -0.63 -1.89 0.00 0.00 176.35 173.75 1f9n s ILE 130 N 1.47 4.72 -0.15 6.68 1.01 0.22 -1.93 121.20 133.23 1f9n s ILE 130 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.60 1f9n s ILE 130 Cb -0.17 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1f9n s ILE 130 CO 0.01 0.57 -0.18 -0.63 0.00 0.00 0.00 174.94 174.71 1f9n s ILE 131 N -0.55 2.40 0.10 2.92 1.09 -1.12 -0.74 121.20 125.30 1f9n s ILE 131 Ca 0.10 -0.86 0.07 0.00 -1.10 0.00 0.00 60.65 58.86 1f9n s ILE 131 Cb -0.12 -1.99 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 1f9n s ILE 131 CO 0.02 0.53 -0.09 0.00 -0.10 0.00 0.00 174.94 175.30 1f9n h ARG 133 N 3.57 -0.49 -6.20 0.00 -0.00 -1.45 -3.44 114.38 106.38 1f9n h ARG 133 Ca -0.49 0.03 -0.57 0.00 -0.50 0.00 0.00 59.98 58.46 1f9n h ARG 133 Cb 1.17 0.11 -0.10 0.00 0.00 0.00 0.00 29.97 31.14 1f9n h ARG 133 CO 0.53 -0.32 -0.66 0.95 0.00 0.00 0.00 179.97 180.46 1f9n s THR 134 N -4.63 3.26 0.42 2.04 -4.23 -1.26 -4.98 115.64 106.26 1f9n s THR 134 Ca -0.10 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.52 1f9n s THR 134 Cb 0.03 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.41 1f9n s THR 134 CO 0.35 -0.37 2.03 -0.65 -0.54 0.00 0.00 174.62 175.43 1f9n h PRO 135 N 1.94 0.48 -0.37 3.99 0.11 -1.87 -0.84 132.00 135.44 1f9n h PRO 135 Ca -0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1f9n h PRO 135 Cb 1.25 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1f9n h PRO 135 CO 0.60 0.32 0.19 0.93 -0.21 0.00 0.00 178.00 179.83 1f9n h GLU 136 N 0.49 0.52 -0.16 1.05 3.07 -1.95 -2.16 114.58 115.44 1f9n h GLU 136 Ca 0.20 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1f9n h GLU 136 Cb 0.19 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1f9n h GLU 136 CO -0.05 0.44 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.51 1f9n h ASP 137 N 0.46 0.21 0.80 1.42 3.32 -1.58 -2.12 116.42 118.94 1f9n h ASP 137 Ca 0.13 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1f9n h ASP 137 Cb 0.08 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1f9n h ASP 137 CO -0.02 0.30 -0.38 0.74 -1.72 0.00 0.00 179.24 178.16 1f9n h THR 138 N 0.23 0.00 -0.84 0.35 2.02 -0.66 -1.06 112.91 112.95 1f9n h THR 138 Ca 0.05 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.32 1f9n h THR 138 Cb 0.24 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 1f9n h THR 138 CO 0.01 0.00 0.47 -0.33 0.37 0.00 0.00 175.52 176.04 1f9n h GLU 139 N -1.10 0.74 0.06 6.66 4.39 -1.40 -0.59 114.58 123.35 1f9n h GLU 139 Ca -0.11 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.56 1f9n h GLU 139 Cb 0.82 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1f9n h GLU 139 CO 0.18 0.49 -0.11 0.78 -1.16 0.00 0.00 179.01 179.19 1f9n h GLY 140 N 0.76 -0.18 0.91 -3.84 0.00 -1.27 -1.06 103.07 98.39 1f9n h GLY 140 Ca 0.42 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.82 1f9n h GLY 140 CO -0.28 -0.11 0.02 -2.08 0.00 0.00 0.00 176.54 174.10 1f9n h VAL 141 N -0.21 1.25 0.00 4.60 2.07 -0.77 -0.90 116.25 122.29 1f9n h VAL 141 Ca 0.02 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1f9n h VAL 141 Cb 0.23 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1f9n h VAL 141 CO -0.06 0.30 -0.06 0.07 0.02 0.00 0.00 177.57 177.84 1f9n h LYS 142 N 0.40 0.00 0.16 1.57 5.09 -1.03 -1.67 116.57 121.09 1f9n h LYS 142 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 60.65 60.60 1f9n h LYS 142 Cb 0.41 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.76 1f9n h LYS 142 CO 0.01 0.06 -1.10 -0.91 -2.09 0.00 0.00 179.45 175.42 1f9n h ASN 143 N 0.00 0.53 -0.38 7.07 -0.26 -0.86 -3.17 115.58 118.51 1f9n h ASN 143 Ca -0.00 -0.93 0.03 0.00 -0.56 0.00 0.00 56.30 54.84 1f9n h ASN 143 Cb 0.16 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1f9n h ASN 143 CO 0.01 1.52 0.26 -0.09 -1.06 0.00 0.00 177.43 178.06 1f9n h ARG 144 N -0.24 0.39 0.13 0.81 2.43 -0.50 0.43 114.38 117.83 1f9n h ARG 144 Ca -0.21 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1f9n h ARG 144 Cb 1.79 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1f9n h ARG 144 CO 0.16 0.26 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.74 1f9n h LEU 145 N 0.40 -0.15 -1.78 3.80 3.38 -1.42 -3.04 115.31 116.50 1f9n h LEU 145 Ca 0.16 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1f9n h LEU 145 Cb 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1f9n h LEU 145 CO -0.04 0.31 0.16 -0.07 0.09 0.00 0.00 178.44 178.89 1f9n h LEU 146 N -0.64 0.25 0.00 1.67 3.38 -1.43 0.17 115.31 118.71 1f9n h LEU 146 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1f9n h LEU 146 Cb 0.49 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1f9n h LEU 146 CO 0.03 0.18 0.00 1.21 0.09 0.00 0.00 178.44 179.95 1f9n n GLU 147 N -4.50 0.01 0.01 1.13 2.13 0.11 -1.53 120.64 118.00 1f9n n GLU 147 Ca 0.01 0.30 0.11 0.00 0.66 0.00 0.00 57.16 58.24 1f9n n GLU 147 Cb 0.10 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.28 1f9n n GLU 147 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1f9n n LEU 148 N -1.48 0.63 0.00 4.31 4.77 0.58 -5.07 117.00 120.73 1f9n n LEU 148 Ca 0.03 -0.14 0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1f9n n LEU 148 Cb 0.12 -0.07 0.61 0.00 -2.33 0.00 0.00 43.42 41.75 1f9n n LEU 148 CO 0.10 0.10 0.80 0.18 -1.33 0.00 0.00 177.39 177.24