#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9p h LEU 7 N 0.00 -0.36 0.00 3.41 5.85 -2.08 -3.49 115.31 118.64 1f9p h LEU 7 Ca 0.00 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1f9p h LEU 7 Cb 0.00 0.09 0.05 0.00 0.37 0.00 0.00 40.66 41.18 1f9p h LEU 7 CO 0.00 -0.05 0.08 0.00 -0.34 0.00 0.00 178.44 178.13 1f9p n ALA 8 N -2.53 -0.74 -1.77 1.25 0.00 -1.26 -4.93 120.51 110.53 1f9p n ALA 8 Ca -0.05 -0.49 -0.38 0.00 0.00 0.00 0.00 53.44 52.52 1f9p n ALA 8 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 1f9p n ALA 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1f9p n LYS 9 N -2.17 2.04 -2.74 0.00 3.00 -1.26 -4.54 118.16 112.49 1f9p n LYS 9 Ca 0.05 -2.41 -0.07 0.00 -0.00 0.00 0.00 58.31 55.88 1f9p n LYS 9 Cb 0.17 -3.33 0.04 0.00 0.00 0.00 0.00 35.03 31.91 1f9p n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f9p n GLY 10 N 5.00 -0.33 1.85 3.14 0.00 -1.26 -5.16 105.19 108.42 1f9p n GLY 10 Ca 0.48 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 1f9p n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1f9p n LYS 11 N 1.91 0.88 -0.39 1.61 2.85 -1.26 -4.75 118.16 119.00 1f9p n LYS 11 Ca 0.10 -1.52 0.00 0.00 -1.05 0.00 0.00 58.31 55.84 1f9p n LYS 11 Cb 0.63 -0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1f9p n LYS 11 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1f9p n GLU 12 N -1.49 0.00 -0.09 -1.58 2.13 -1.26 -4.90 120.64 113.45 1f9p n GLU 12 Ca 0.06 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.99 1f9p n GLU 12 Cb 0.29 -1.34 0.32 0.00 0.27 0.00 0.00 31.44 30.98 1f9p n GLU 12 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1f9p n GLU 13 N -2.00 2.00 0.00 5.31 2.13 -1.26 -4.94 120.64 121.88 1f9p n GLU 13 Ca 0.00 -1.49 0.00 0.00 0.66 0.00 0.00 57.16 56.33 1f9p n GLU 13 Cb 0.00 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1f9p n GLU 13 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1f9p n SER 14 N 0.73 0.44 -0.19 4.31 3.41 -1.26 -5.02 113.62 116.05 1f9p n SER 14 Ca 0.17 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.93 1f9p n SER 14 Cb 0.44 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.14 1f9p n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f9p n LEU 15 N 0.00 0.60 -4.37 1.04 4.32 -1.26 -4.94 117.00 112.39 1f9p n LEU 15 Ca 0.00 -0.20 -0.36 0.00 -0.02 0.00 0.00 56.01 55.42 1f9p n LEU 15 Cb 0.00 -0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 1f9p n LEU 15 CO 0.00 0.10 -0.23 -0.90 -1.22 0.00 0.00 177.39 175.14 1f9p n ASP 16 N -0.52 -2.27 -4.69 -1.43 5.75 -1.26 -4.81 116.55 107.33 1f9p n ASP 16 Ca 0.21 0.52 -0.43 0.00 -0.01 0.00 0.00 54.79 55.09 1f9p n ASP 16 Cb 0.20 -1.10 -0.01 0.00 -1.03 0.00 0.00 41.12 39.18 1f9p n ASP 16 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1f9p n SER 17 N 0.48 2.59 -0.03 -1.12 2.88 -1.26 -4.91 113.62 112.25 1f9p n SER 17 Ca 0.08 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.94 1f9p n SER 17 Cb 0.51 -1.47 0.41 0.00 -0.75 0.00 0.00 64.21 62.91 1f9p n SER 17 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1f9p n ASP 18 N 0.75 0.38 -4.57 -3.46 8.00 -1.26 -4.85 116.55 111.54 1f9p n ASP 18 Ca 0.05 -0.11 -0.35 0.00 0.71 0.00 0.00 54.79 55.09 1f9p n ASP 18 Cb 0.36 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.34 1f9p n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1f9p s LEU 19 N -2.90 3.70 0.24 0.64 1.43 -1.26 -5.00 118.68 115.53 1f9p s LEU 19 Ca 0.15 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1f9p s LEU 19 Cb 0.18 -1.96 0.36 0.00 0.03 0.00 0.00 46.19 44.81 1f9p s LEU 19 CO 0.61 0.10 1.80 1.88 0.23 0.00 0.00 176.35 180.97 1f9p h TYR 20 N 7.24 0.78 0.00 0.29 -1.99 -1.98 -1.25 116.97 120.06 1f9p h TYR 20 Ca -0.37 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1f9p h TYR 20 Cb 1.17 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.67 1f9p h TYR 20 CO 0.61 0.32 0.00 0.00 -0.00 0.00 0.00 178.16 179.09 1f9p n ALA 21 N -2.38 1.49 -0.90 3.88 0.00 -1.26 -2.42 120.51 118.92 1f9p n ALA 21 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1f9p n ALA 21 Cb 0.26 -1.19 0.09 0.00 0.00 0.00 0.00 19.45 18.61 1f9p n ALA 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f9p n GLU 22 N -1.56 1.53 0.00 0.00 1.02 -0.51 -1.20 120.64 119.93 1f9p n GLU 22 Ca 0.02 -2.16 0.12 0.00 -0.02 0.00 0.00 57.16 55.13 1f9p n GLU 22 Cb 0.13 -1.28 0.56 0.00 -0.02 0.00 0.00 31.44 30.82 1f9p n GLU 22 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1f9p h LEU 23 N 0.00 0.24 -2.81 -4.62 3.38 -1.00 -2.23 115.31 108.27 1f9p h LEU 23 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f9p h LEU 23 Cb 0.92 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1f9p h LEU 23 CO 0.00 0.15 0.00 0.54 0.09 0.00 0.00 178.44 179.22 1f9p n ARG 24 N -4.46 2.79 -2.12 1.13 1.74 0.16 -4.84 116.66 111.07 1f9p n ARG 24 Ca 0.07 -2.45 -0.37 0.00 -0.77 0.00 0.00 57.85 54.33 1f9p n ARG 24 Cb 0.34 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1f9p n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1f9p h MET 26 N 1.52 0.00 -5.46 0.00 2.86 -1.94 -3.47 114.93 108.45 1f9p h MET 26 Ca -0.50 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 56.54 1f9p h MET 26 Cb 1.27 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.83 1f9p h MET 26 CO 0.58 0.37 -0.38 0.00 1.06 0.00 0.00 176.91 178.53 1f9p h ILE 28 N 4.56 1.19 -2.81 0.00 2.04 -1.98 -3.49 117.51 117.03 1f9p h ILE 28 Ca -0.43 -2.68 0.05 0.00 1.00 0.00 0.00 64.86 62.80 1f9p h ILE 28 Cb 1.17 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 40.20 1f9p h ILE 28 CO 0.73 0.83 0.40 2.29 0.00 0.00 0.00 178.15 182.40 1f9p n LYS 29 N -3.66 0.94 -4.52 2.37 -0.00 -1.26 -5.13 118.16 106.89 1f9p n LYS 29 Ca -0.19 -1.91 -0.26 0.00 -0.00 0.00 0.00 58.31 55.96 1f9p n LYS 29 Cb 1.09 2.45 -0.10 0.00 -0.00 0.00 0.00 35.03 38.47 1f9p n LYS 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1f9p s THR 30 N -2.09 2.31 -0.07 0.58 -4.23 -1.26 -4.50 115.64 106.37 1f9p s THR 30 Ca 0.18 -2.23 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1f9p s THR 30 Cb -0.04 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1f9p s THR 30 CO 0.09 -0.24 -0.09 -0.89 -0.54 0.00 0.00 174.62 172.95 1f9p s THR 31 N -2.58 3.50 0.45 3.99 2.01 -0.06 -4.97 115.64 117.98 1f9p s THR 31 Ca 0.32 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1f9p s THR 31 Cb 0.01 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1f9p s THR 31 CO 0.16 0.59 0.34 -0.94 -0.69 0.00 0.00 174.62 174.08 1f9p s SER 32 N -0.66 4.79 -0.40 3.53 1.04 -1.26 -4.67 113.70 116.06 1f9p s SER 32 Ca 0.10 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1f9p s SER 32 Cb -0.11 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1f9p s SER 32 CO 0.01 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1f9p n GLY 33 N -1.52 0.64 3.78 7.32 0.00 -1.26 -5.00 105.19 109.14 1f9p n GLY 33 Ca 0.01 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1f9p n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f9p s ILE 34 N -1.94 4.31 -0.17 -0.61 -1.09 -1.26 -5.05 121.20 115.39 1f9p s ILE 34 Ca 0.00 1.75 -0.07 0.00 -2.23 0.00 0.00 60.65 60.10 1f9p s ILE 34 Cb 0.00 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1f9p s ILE 34 CO 0.00 0.44 0.08 -1.00 -1.23 0.00 0.00 174.94 173.23 1f9p s HIS 35 N -1.25 3.32 0.49 3.97 3.76 -1.26 -4.98 115.29 119.34 1f9p s HIS 35 Ca 0.39 0.20 0.35 0.00 -0.15 0.00 0.00 55.06 55.85 1f9p s HIS 35 Cb -0.22 -2.04 1.50 0.00 1.11 0.00 0.00 32.58 32.92 1f9p s HIS 35 CO 0.27 0.30 1.68 -1.35 -0.85 0.00 0.00 174.74 174.79 1f9p h PRO 36 N 6.27 0.08 0.00 8.40 0.11 -1.96 0.51 132.00 145.41 1f9p h PRO 36 Ca -0.42 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1f9p h PRO 36 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1f9p h PRO 36 CO 0.68 0.05 -0.28 -0.22 -0.21 0.00 0.00 178.00 178.03 1f9p h LYS 37 N 0.08 0.00 0.00 1.05 3.64 -1.99 -2.42 116.57 116.93 1f9p h LYS 37 Ca 0.75 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.13 1f9p h LYS 37 Cb 2.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.46 1f9p h LYS 37 CO -0.18 0.28 0.00 -0.91 -2.27 0.00 0.00 179.45 176.36 1f9p h ASN 38 N 0.00 0.00 -3.29 4.20 2.35 -0.38 -3.45 115.58 115.01 1f9p h ASN 38 Ca -0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.16 1f9p h ASN 38 Cb 0.51 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.80 1f9p h ASN 38 CO 0.04 0.00 0.43 -0.63 -1.65 0.00 0.00 177.43 175.62 1f9p s ILE 39 N -3.18 4.86 -0.11 2.81 1.01 -0.91 -0.17 121.20 125.51 1f9p s ILE 39 Ca 0.09 1.64 -0.08 0.00 0.00 0.00 0.00 60.65 62.29 1f9p s ILE 39 Cb 0.10 -4.14 -0.27 0.00 0.01 0.00 0.00 42.46 38.17 1f9p s ILE 39 CO 0.58 -0.01 0.41 -0.61 0.00 0.00 0.00 174.94 175.32 1f9p h GLN 40 N 7.42 0.28 -2.86 2.79 4.15 -0.78 -3.45 115.11 122.66 1f9p h GLN 40 Ca -0.27 -0.47 0.03 0.00 0.77 0.00 0.00 58.65 58.70 1f9p h GLN 40 Cb 1.12 0.18 -0.11 0.00 0.21 0.00 0.00 27.48 28.87 1f9p h GLN 40 CO 0.85 1.23 0.27 -1.54 -1.93 0.00 0.00 178.83 177.71 1f9p s SER 41 N -7.08 -0.46 0.00 -0.69 1.04 -0.92 -5.01 113.70 100.58 1f9p s SER 41 Ca -0.22 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1f9p s SER 41 Cb 0.06 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1f9p s SER 41 CO 0.78 -0.99 0.25 -1.48 0.98 0.00 0.00 173.24 172.78 1f9p s LEU 42 N -2.75 1.10 -0.09 2.42 0.05 -1.26 0.09 118.68 118.24 1f9p s LEU 42 Ca 0.04 -0.08 0.05 0.00 0.05 0.00 0.00 54.13 54.19 1f9p s LEU 42 Cb -0.02 1.09 -0.00 0.00 -2.05 0.00 0.00 46.19 45.21 1f9p s LEU 42 CO -0.08 -0.46 -0.24 -0.70 -0.55 0.00 0.00 176.35 174.32 1f9p s GLU 43 N -1.64 2.88 -0.29 1.48 2.12 0.01 -4.97 118.70 118.29 1f9p s GLU 43 Ca -0.12 -0.88 -0.08 0.00 0.36 0.00 0.00 54.97 54.26 1f9p s GLU 43 Cb -0.05 -2.24 -0.00 0.00 0.26 0.00 0.00 34.13 32.10 1f9p s GLU 43 CO 0.02 0.23 0.10 0.08 -0.54 0.00 0.00 175.26 175.15 1f9p s VAL 44 N 0.20 4.22 -0.18 3.70 1.01 -1.26 -0.94 120.40 127.15 1f9p s VAL 44 Ca -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1f9p s VAL 44 Cb -0.17 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1f9p s VAL 44 CO 0.07 0.13 -0.03 -0.63 0.00 0.00 0.00 175.10 174.64 1f9p s ILE 45 N 1.56 3.78 0.98 2.22 1.01 0.11 -4.98 121.20 125.88 1f9p s ILE 45 Ca 0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1f9p s ILE 45 Cb -0.17 -2.69 0.18 0.00 0.01 0.00 0.00 42.46 39.79 1f9p s ILE 45 CO 0.04 0.45 1.11 -0.83 0.00 0.00 0.00 174.94 175.72 1f9p s GLY 46 N 0.82 1.57 0.44 6.18 0.00 -1.26 -1.36 107.32 113.69 1f9p s GLY 46 Ca -0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 43.99 1f9p s GLY 46 CO 0.02 0.14 1.41 0.54 0.00 0.00 0.00 173.10 175.20 1f9p s LYS 47 N -5.11 3.78 0.35 2.90 1.02 -1.26 -4.75 119.74 116.66 1f9p s LYS 47 Ca 0.65 2.38 0.01 0.00 0.02 0.00 0.00 55.97 59.03 1f9p s LYS 47 Cb -0.17 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1f9p s LYS 47 CO 0.56 -0.73 0.03 0.41 -0.92 0.00 0.00 175.35 174.69 1f9p n GLY 48 N 0.59 3.68 0.22 -3.33 0.00 0.75 -5.01 105.19 102.08 1f9p n GLY 48 Ca 0.04 -2.26 -0.08 0.00 0.00 0.00 0.00 46.02 43.73 1f9p n GLY 48 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1f9p h THR 49 N 1.26 0.52 -0.55 2.61 1.35 -1.96 -2.89 112.91 113.25 1f9p h THR 49 Ca -0.28 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.23 1f9p h THR 49 Cb 0.91 0.52 -0.21 0.00 -1.73 0.00 0.00 68.15 67.63 1f9p h THR 49 CO 0.47 0.00 -0.11 1.41 -0.25 0.00 0.00 175.52 177.04 1f9p n HIS 50 N -5.33 1.81 -3.31 4.73 -0.00 -1.26 -4.79 115.22 107.07 1f9p n HIS 50 Ca -0.01 -1.96 -0.10 0.00 -0.00 0.00 0.00 57.72 55.66 1f9p n HIS 50 Cb 0.24 -0.60 -0.06 0.00 -0.00 0.00 0.00 29.99 29.58 1f9p n HIS 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1f9p n ASN 52 N 4.94 2.71 -4.22 0.00 6.94 -0.34 -0.18 115.26 125.11 1f9p n ASN 52 Ca 0.05 -2.34 -0.25 0.00 -0.02 0.00 0.00 54.58 52.01 1f9p n ASN 52 Cb 0.49 -0.57 -0.15 0.00 -2.36 0.00 0.00 39.78 37.19 1f9p n ASN 52 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1f9p s GLN 53 N -1.27 1.44 0.18 -3.83 -0.21 -1.26 -4.96 119.66 109.75 1f9p s GLN 53 Ca 0.16 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.43 1f9p s GLN 53 Cb 0.13 -1.47 -0.07 0.00 1.00 0.00 0.00 33.01 32.59 1f9p s GLN 53 CO 0.04 0.39 1.03 0.08 -2.12 0.00 0.00 175.29 174.71 1f9p s VAL 54 N -0.64 4.05 0.03 1.09 1.01 -1.26 -4.29 120.40 120.38 1f9p s VAL 54 Ca 0.07 1.81 0.08 0.00 0.00 0.00 0.00 61.98 63.94 1f9p s VAL 54 Cb -0.08 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1f9p s VAL 54 CO 0.01 0.33 -0.22 -1.61 0.00 0.00 0.00 175.10 173.61 1f9p s GLU 55 N -0.49 2.03 -0.26 2.72 2.02 -0.47 -4.71 118.70 119.54 1f9p s GLU 55 Ca 0.47 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1f9p s GLU 55 Cb -0.27 -2.12 0.07 0.00 0.10 0.00 0.00 34.13 31.92 1f9p s GLU 55 CO 0.33 0.54 0.01 0.08 0.02 0.00 0.00 175.26 176.24 1f9p s VAL 56 N -0.82 1.37 -0.35 2.63 1.01 -1.26 0.04 120.40 123.02 1f9p s VAL 56 Ca 0.13 -1.34 -0.09 0.00 0.00 0.00 0.00 61.98 60.68 1f9p s VAL 56 Cb -0.10 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1f9p s VAL 56 CO 0.03 -0.31 0.16 -0.63 0.00 0.00 0.00 175.10 174.35 1f9p s ILE 57 N 1.43 4.30 -0.14 2.22 1.01 -0.12 -0.01 121.20 129.90 1f9p s ILE 57 Ca 0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1f9p s ILE 57 Cb -0.18 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 1f9p s ILE 57 CO -0.11 -0.15 0.19 0.00 0.00 0.00 0.00 174.94 174.87 1f9p s ALA 58 N 1.51 3.74 -0.29 9.38 0.00 0.63 -0.81 121.76 135.93 1f9p s ALA 58 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1f9p s ALA 58 Cb -0.19 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 1f9p s ALA 58 CO 0.05 0.35 0.13 0.99 0.00 0.00 0.00 175.76 177.28 1f9p s THR 59 N -0.27 4.58 0.66 0.00 2.01 0.11 -1.75 115.64 120.99 1f9p s THR 59 Ca 0.14 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1f9p s THR 59 Cb -0.12 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1f9p s THR 59 CO 0.03 0.15 1.05 -0.76 -0.69 0.00 0.00 174.62 174.40 1f9p s LEU 60 N 1.62 3.10 0.61 4.42 1.43 0.52 -0.14 118.68 130.24 1f9p s LEU 60 Ca 0.05 1.38 0.34 0.00 -1.03 0.00 0.00 54.13 54.87 1f9p s LEU 60 Cb -0.16 -4.31 1.97 0.00 0.03 0.00 0.00 46.19 43.71 1f9p s LEU 60 CO 0.06 -1.15 2.26 0.11 0.23 0.00 0.00 176.35 177.87 1f9p h LYS 61 N -0.51 0.00 -0.46 1.70 1.57 -0.87 0.91 116.57 118.91 1f9p h LYS 61 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1f9p h LYS 61 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1f9p h LYS 61 CO 0.61 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 1f9p n ASP 62 N -3.61 2.55 0.00 0.86 5.68 -1.26 -4.92 116.55 115.84 1f9p n ASP 62 Ca -0.02 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1f9p n ASP 62 Cb 0.11 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1f9p n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f9p n GLY 63 N 1.27 1.17 3.77 6.12 0.00 0.31 -5.04 105.19 112.79 1f9p n GLY 63 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1f9p n GLY 63 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1f9p s ARG 64 N -0.55 4.39 -0.15 1.61 3.52 -1.26 -4.71 118.95 121.80 1f9p s ARG 64 Ca 0.00 2.04 -0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1f9p s ARG 64 Cb 0.00 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 1f9p s ARG 64 CO 0.00 -0.10 -0.14 0.15 -0.81 0.00 0.00 175.30 174.40 1f9p s LYS 65 N -1.78 3.27 0.14 5.12 1.02 -1.26 -0.36 119.74 125.89 1f9p s LYS 65 Ca 0.49 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.78 1f9p s LYS 65 Cb -0.36 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1f9p s LYS 65 CO 0.47 0.06 -0.06 0.96 -0.92 0.00 0.00 175.35 175.86 1f9p s ILE 66 N 0.72 0.87 0.03 2.17 -4.36 -0.72 -4.98 121.20 114.93 1f9p s ILE 66 Ca -0.06 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1f9p s ILE 66 Cb -0.15 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1f9p s ILE 66 CO 0.02 -0.73 0.10 0.00 0.24 0.00 0.00 174.94 174.57 1f9p s LEU 68 N -2.03 2.46 -0.44 0.00 1.43 0.99 -0.88 118.68 120.20 1f9p s LEU 68 Ca 0.26 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 1f9p s LEU 68 Cb -0.12 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1f9p s LEU 68 CO 0.18 0.19 1.34 -0.62 0.23 0.00 0.00 176.35 177.67 1f9p s ASP 69 N -2.02 6.40 0.42 2.29 -1.08 -1.26 -4.07 116.67 117.36 1f9p s ASP 69 Ca 0.15 0.69 0.11 0.00 -0.52 0.00 0.00 52.55 52.99 1f9p s ASP 69 Cb -0.10 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.77 1f9p s ASP 69 CO 0.07 -1.40 2.00 -0.65 0.52 0.00 0.00 175.17 175.71 1f9p h PRO 70 N 10.33 0.47 -0.00 4.34 0.11 -1.95 -2.37 132.00 142.92 1f9p h PRO 70 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1f9p h PRO 70 Cb 1.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1f9p h PRO 70 CO 1.10 0.31 -0.22 -0.25 -0.21 0.00 0.00 178.00 178.73 1f9p n ASP 71 N -4.47 0.47 -4.63 -2.05 8.00 -1.26 -4.60 116.55 108.01 1f9p n ASP 71 Ca 0.08 -0.33 -0.43 0.00 0.71 0.00 0.00 54.79 54.83 1f9p n ASP 71 Cb 0.28 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 1f9p n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f9p s ALA 72 N -2.73 3.29 0.53 2.24 0.00 -0.89 -4.86 121.76 119.34 1f9p s ALA 72 Ca 0.20 0.17 0.36 0.00 0.00 0.00 0.00 51.96 52.70 1f9p s ALA 72 Cb 0.19 -3.82 1.53 0.00 0.00 0.00 0.00 23.12 21.02 1f9p s ALA 72 CO 0.56 -1.91 1.77 -1.35 0.00 0.00 0.00 175.76 174.82 1f9p h PRO 73 N 9.92 0.04 -0.65 0.00 0.11 -1.88 0.74 132.00 140.28 1f9p h PRO 73 Ca -0.28 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 1f9p h PRO 73 Cb 1.11 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1f9p h PRO 73 CO 1.03 0.03 0.12 -0.09 -0.21 0.00 0.00 178.00 178.88 1f9p h ARG 74 N 0.04 1.07 -0.24 1.05 2.43 -1.93 -2.13 114.38 114.66 1f9p h ARG 74 Ca 0.61 -0.28 -0.20 0.00 -0.81 0.00 0.00 59.98 59.30 1f9p h ARG 74 Cb 2.36 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.78 1f9p h ARG 74 CO -0.05 0.98 -0.63 0.82 -1.51 0.00 0.00 179.97 179.58 1f9p h ILE 75 N 0.99 1.27 -0.35 1.20 1.08 0.22 -0.99 117.51 120.94 1f9p h ILE 75 Ca 0.20 -1.82 -0.02 0.00 -0.39 0.00 0.00 64.86 62.84 1f9p h ILE 75 Cb 0.42 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.90 1f9p h ILE 75 CO 0.01 0.59 0.15 0.11 -0.69 0.00 0.00 178.15 178.32 1f9p h LYS 76 N 0.63 0.48 -0.19 2.37 1.57 -1.22 0.13 116.57 120.34 1f9p h LYS 76 Ca -0.01 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 1f9p h LYS 76 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1f9p h LYS 76 CO 0.14 0.40 -0.56 0.87 -0.57 0.00 0.00 179.45 179.72 1f9p h LYS 77 N 0.49 0.72 -0.86 3.15 1.57 -1.20 -2.02 116.57 118.41 1f9p h LYS 77 Ca 0.12 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1f9p h LYS 77 Cb 0.08 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1f9p h LYS 77 CO -0.01 1.14 0.43 0.82 -0.57 0.00 0.00 179.45 181.25 1f9p h ILE 78 N 0.42 1.26 -0.40 1.86 2.04 -0.17 0.15 117.51 122.67 1f9p h ILE 78 Ca -0.02 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 1f9p h ILE 78 Cb 1.18 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1f9p h ILE 78 CO 0.12 0.31 -0.15 0.58 0.00 0.00 0.00 178.15 179.01 1f9p h VAL 79 N 1.21 1.26 -0.38 1.67 2.07 -0.99 -0.48 116.25 120.62 1f9p h VAL 79 Ca 0.30 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1f9p h VAL 79 Cb 0.09 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1f9p h VAL 79 CO -0.04 0.41 0.11 -0.61 0.02 0.00 0.00 177.57 177.46 1f9p h GLN 80 N 0.67 0.60 -0.15 1.57 5.75 -0.61 -1.38 115.11 121.55 1f9p h GLN 80 Ca 0.11 -0.14 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1f9p h GLN 80 Cb 0.63 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 1f9p h GLN 80 CO 0.04 0.62 -0.02 0.87 -2.65 0.00 0.00 178.83 177.69 1f9p h LYS 81 N 0.47 0.02 -0.78 1.69 1.79 -0.26 -2.09 116.57 117.41 1f9p h LYS 81 Ca 0.12 -0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.65 1f9p h LYS 81 Cb 0.28 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 1f9p h LYS 81 CO -0.00 0.01 0.51 0.87 -1.08 0.00 0.00 179.45 179.76 1f9p h LYS 82 N 0.02 0.85 -0.12 3.15 1.79 -0.86 -2.08 116.57 119.31 1f9p h LYS 82 Ca 0.07 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1f9p h LYS 82 Cb 0.10 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1f9p h LYS 82 CO -0.14 0.56 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.53 1f9p h LEU 83 N 0.87 0.19 -9.97 2.94 3.38 -0.58 -3.43 115.31 108.71 1f9p h LEU 83 Ca 0.33 -0.05 -0.47 0.00 0.09 0.00 0.00 57.88 57.78 1f9p h LEU 83 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1f9p h LEU 83 CO -0.11 0.40 0.38 0.00 0.09 0.00 0.00 178.44 179.20 1f9p s ALA 84 N -4.60 3.08 0.00 1.53 0.00 -0.78 -4.93 121.76 116.06 1f9p s ALA 84 Ca -0.05 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1f9p s ALA 84 Cb 0.15 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1f9p s ALA 84 CO 0.73 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1f9p n GLY 85 N 0.17 0.00 0.75 0.00 0.00 -1.26 -4.97 105.19 99.87 1f9p n GLY 85 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1f9p n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54