#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afi s THR 2 N 0.00 -0.52 0.39 0.00 -4.23 -1.25 -1.93 115.64 108.09 1afi s THR 2 Ca 0.00 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1afi s THR 2 Cb 0.00 -0.49 -0.06 0.00 1.34 0.00 0.00 72.50 73.29 1afi s THR 2 CO 0.00 -0.41 0.04 -1.10 -0.54 0.00 0.00 174.62 172.61 1afi s GLN 3 N 1.56 1.85 0.19 3.99 -1.52 -0.36 -4.84 119.66 120.54 1afi s GLN 3 Ca 0.17 -2.07 0.08 0.00 -1.95 0.00 0.00 55.36 51.58 1afi s GLN 3 Cb -0.12 -1.21 -0.04 0.00 -0.22 0.00 0.00 33.01 31.42 1afi s GLN 3 CO -0.05 -0.18 0.01 0.99 -0.25 0.00 0.00 175.29 175.82 1afi s THR 4 N -3.02 3.74 0.14 -0.19 2.01 -1.26 -1.31 115.64 115.75 1afi s THR 4 Ca 0.31 -1.48 -0.15 0.00 0.31 0.00 0.00 61.69 60.68 1afi s THR 4 Cb 0.08 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1afi s THR 4 CO 0.15 -0.16 0.40 -0.69 -0.69 0.00 0.00 174.62 173.62 1afi s VAL 5 N -1.84 0.07 0.27 3.82 1.01 -0.28 -4.97 120.40 118.48 1afi s VAL 5 Ca 0.28 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1afi s VAL 5 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1afi s VAL 5 CO 0.19 -0.30 0.16 0.42 0.00 0.00 0.00 175.10 175.57 1afi s THR 6 N -3.85 3.98 0.10 3.92 -4.23 -1.13 -1.01 115.64 113.42 1afi s THR 6 Ca 0.06 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1afi s THR 6 Cb 0.02 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1afi s THR 6 CO -0.08 -0.32 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.81 1afi s LEU 7 N -3.82 2.40 -0.41 4.79 1.02 0.15 -1.57 118.68 121.24 1afi s LEU 7 Ca 0.34 -0.81 -0.05 0.00 0.02 0.00 0.00 54.13 53.63 1afi s LEU 7 Cb -0.07 -0.33 0.10 0.00 0.02 0.00 0.00 46.19 45.91 1afi s LEU 7 CO 0.24 -0.25 0.23 0.00 0.02 0.00 0.00 176.35 176.59 1afi s ALA 8 N -2.38 3.20 -0.34 4.21 0.00 -0.69 -1.81 121.76 123.94 1afi s ALA 8 Ca 0.06 -2.40 0.02 0.00 0.00 0.00 0.00 51.96 49.63 1afi s ALA 8 Cb -0.03 -2.50 0.09 0.00 0.00 0.00 0.00 23.12 20.68 1afi s ALA 8 CO 0.00 -1.75 0.06 0.54 0.00 0.00 0.00 175.76 174.62 1afi s VAL 9 N 1.25 2.54 0.00 0.00 0.11 -0.16 -1.54 120.40 122.59 1afi s VAL 9 Ca 0.06 -2.14 0.00 0.00 -2.93 0.00 0.00 61.98 56.97 1afi s VAL 9 Cb -0.23 -2.77 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 1afi s VAL 9 CO -0.02 -0.52 1.44 -0.81 -3.33 0.00 0.00 175.10 171.86 1afi n PRO 10 N 4.37 0.86 -0.01 1.54 -0.04 -1.26 -4.22 135.00 136.24 1afi n PRO 10 Ca -0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1afi n PRO 10 Cb 0.42 -1.07 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 1afi n PRO 10 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1afi h GLY 11 N 3.33 0.25 -6.97 0.55 0.00 -1.91 -3.47 103.07 94.85 1afi h GLY 11 Ca 0.00 -0.47 -0.57 0.00 0.00 0.00 0.00 47.33 46.29 1afi h GLY 11 CO 0.00 0.42 -0.92 1.15 0.00 0.00 0.00 176.54 177.19 1afi n MET 12 N -4.41 -0.60 -0.25 4.80 0.00 -1.26 -4.76 117.12 110.64 1afi n MET 12 Ca -0.10 0.05 0.03 0.00 0.00 0.00 0.00 57.70 57.67 1afi n MET 12 Cb 0.57 -2.75 0.13 0.00 0.00 0.00 0.00 33.22 31.17 1afi n MET 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1afi n THR 13 N -4.55 0.76 -2.33 3.17 -2.24 -1.26 -4.91 114.28 102.91 1afi n THR 13 Ca -0.20 -0.43 -0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1afi n THR 13 Cb 0.58 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1afi n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1afi n ALA 15 N 0.42 -0.19 0.00 0.00 0.00 -1.26 -4.77 120.51 114.70 1afi n ALA 15 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1afi n ALA 15 Cb 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1afi n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afi n ALA 16 N 1.23 2.81 -0.23 0.00 0.00 -1.26 -4.53 120.51 118.53 1afi n ALA 16 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1afi n ALA 16 Cb 0.48 0.42 0.11 0.00 0.00 0.00 0.00 19.45 20.47 1afi n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1afi h PRO 18 N 0.63 0.00 0.02 0.00 0.13 -1.94 -1.38 132.00 129.45 1afi h PRO 18 Ca 0.32 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 65.14 1afi h PRO 18 Cb 0.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.36 1afi h PRO 18 CO -0.23 0.00 -1.85 -0.89 -0.23 0.00 0.00 178.00 174.80 1afi n ILE 19 N -2.58 1.60 -0.05 -3.56 5.41 -0.79 -3.27 119.36 116.13 1afi n ILE 19 Ca 0.04 -0.78 -0.18 0.00 1.00 0.00 0.00 62.75 62.82 1afi n ILE 19 Cb 0.40 -1.06 -0.13 0.00 -0.71 0.00 0.00 39.64 38.13 1afi n ILE 19 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1afi h THR 20 N 0.01 1.39 -0.23 1.39 2.02 -1.28 -2.74 112.91 113.47 1afi h THR 20 Ca -0.34 -2.34 0.03 0.00 0.77 0.00 0.00 66.41 64.52 1afi h THR 20 Cb 2.05 2.94 -0.03 0.00 -1.74 0.00 0.00 68.15 71.37 1afi h THR 20 CO 0.07 0.57 0.05 0.58 0.37 0.00 0.00 175.52 177.16 1afi h VAL 21 N -0.77 0.90 -0.49 3.16 2.07 -1.44 0.51 116.25 120.19 1afi h VAL 21 Ca -0.17 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1afi h VAL 21 Cb 1.32 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1afi h VAL 21 CO -0.02 0.03 0.25 0.50 0.02 0.00 0.00 177.57 178.35 1afi h LYS 22 N 0.14 0.48 0.00 1.57 3.64 -1.68 0.11 116.57 120.83 1afi h LYS 22 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1afi h LYS 22 Cb 0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1afi h LYS 22 CO -0.13 0.32 0.00 1.63 -2.27 0.00 0.00 179.45 179.00 1afi n LYS 23 N -4.88 0.59 -0.08 1.90 4.76 -0.70 -1.56 118.16 118.18 1afi n LYS 23 Ca 0.04 0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 1afi n LYS 23 Cb 0.12 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.74 1afi n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afi h ALA 24 N 3.40 0.08 0.00 7.82 0.00 0.27 -2.68 119.26 128.14 1afi h ALA 24 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1afi h ALA 24 Cb 0.11 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1afi h ALA 24 CO 0.00 0.33 -0.04 1.47 0.00 0.00 0.00 179.25 181.01 1afi n LEU 25 N -4.59 0.55 0.10 0.00 -0.00 -1.03 -0.82 117.00 111.22 1afi n LEU 25 Ca -0.14 0.53 -0.16 0.00 -0.00 0.00 0.00 56.01 56.23 1afi n LEU 25 Cb 0.40 -0.37 -0.11 0.00 -0.00 0.00 0.00 43.42 43.34 1afi n LEU 25 CO 0.18 -0.11 -0.00 -1.28 -0.00 0.00 0.00 177.39 176.17 1afi h SER 26 N 0.00 0.52 -0.19 1.45 0.87 -1.40 -3.27 113.55 111.53 1afi h SER 26 Ca 0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1afi h SER 26 Cb 0.66 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1afi h SER 26 CO 0.00 1.37 0.00 2.29 -0.53 0.00 0.00 176.83 179.96 1afi n LYS 27 N -3.63 1.98 0.03 2.24 0.00 -1.01 -4.58 118.16 113.19 1afi n LYS 27 Ca -0.09 -1.87 -0.10 0.00 -0.00 0.00 0.00 58.31 56.24 1afi n LYS 27 Cb 0.98 -1.39 -0.04 0.00 -0.00 0.00 0.00 35.03 34.58 1afi n LYS 27 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1afi h VAL 28 N 3.65 0.47 0.00 0.58 3.04 -1.02 -3.48 116.25 119.48 1afi h VAL 28 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1afi h VAL 28 Cb 0.82 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1afi h VAL 28 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 1afi n GLU 29 N -5.35 0.00 0.27 4.17 1.02 -1.26 -4.95 120.64 114.54 1afi n GLU 29 Ca -0.04 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.26 1afi n GLU 29 Cb 0.27 0.00 0.74 0.00 -0.02 0.00 0.00 31.44 32.43 1afi n GLU 29 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1afi h GLY 30 N 0.00 0.00 -4.51 0.62 0.00 -1.72 -3.46 103.07 94.00 1afi h GLY 30 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 1afi h GLY 30 CO 0.00 0.00 -0.81 1.55 0.00 0.00 0.00 176.54 177.28 1afi n VAL 31 N -3.26 1.07 -0.05 4.60 3.14 -1.26 -3.07 118.33 119.49 1afi n VAL 31 Ca -0.01 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1afi n VAL 31 Cb 0.28 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 1afi n VAL 31 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1afi n SER 32 N 2.21 0.08 -3.64 6.55 7.64 -0.56 -4.81 113.62 121.10 1afi n SER 32 Ca 0.13 -0.40 -0.08 0.00 1.01 0.00 0.00 58.87 59.53 1afi n SER 32 Cb 0.35 0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 64.05 1afi n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1afi s LYS 33 N -0.52 1.36 0.06 1.43 2.20 -0.96 -4.96 119.74 118.35 1afi s LYS 33 Ca 0.00 -0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 54.70 1afi s LYS 33 Cb 0.00 0.53 0.07 0.00 -1.51 0.00 0.00 37.83 36.92 1afi s LYS 33 CO 0.00 -0.61 0.65 0.08 -0.36 0.00 0.00 175.35 175.11 1afi s VAL 34 N -3.62 0.00 0.15 4.02 1.01 -1.26 -1.81 120.40 118.89 1afi s VAL 34 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1afi s VAL 34 Cb -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.40 1afi s VAL 34 CO -0.03 0.00 0.48 -1.81 0.00 0.00 0.00 175.10 173.74 1afi s ASP 35 N -2.06 -0.32 -0.14 3.32 1.01 0.09 -4.97 116.67 113.60 1afi s ASP 35 Ca -0.04 -0.28 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 1afi s ASP 35 Cb -0.01 0.53 -0.03 0.00 1.01 0.00 0.00 42.92 44.43 1afi s ASP 35 CO -0.03 -0.93 -0.05 0.68 0.21 0.00 0.00 175.17 175.05 1afi s VAL 36 N -3.81 3.81 -0.56 -1.27 -7.23 -1.26 -2.05 120.40 108.04 1afi s VAL 36 Ca 0.04 -0.40 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 1afi s VAL 36 Cb 0.00 -2.65 0.35 0.00 0.56 0.00 0.00 36.38 34.65 1afi s VAL 36 CO -0.10 0.52 0.97 0.61 -0.31 0.00 0.00 175.10 176.78 1afi n GLY 37 N 3.27 5.63 0.26 2.32 0.00 0.30 -4.85 105.19 112.11 1afi n GLY 37 Ca -0.18 -2.76 0.16 0.00 0.00 0.00 0.00 46.02 43.24 1afi n GLY 37 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1afi h PHE 38 N 2.93 0.00 -0.25 1.61 3.57 -1.95 -2.08 116.94 120.77 1afi h PHE 38 Ca 0.15 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1afi h PHE 38 Cb 0.56 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1afi h PHE 38 CO 0.83 0.00 0.55 0.93 -2.23 0.00 0.00 178.31 178.39 1afi h GLU 39 N 0.00 0.00 -0.34 1.11 3.07 -1.88 -2.33 114.58 114.20 1afi h GLU 39 Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 1afi h GLU 39 Cb 0.11 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.73 1afi h GLU 39 CO 0.00 0.00 -0.77 1.17 -1.40 0.00 0.00 179.01 178.01 1afi n LYS 40 N -3.16 1.45 -4.06 2.33 3.00 -0.83 -5.00 118.16 111.89 1afi n LYS 40 Ca 0.04 -2.55 -0.43 0.00 -0.00 0.00 0.00 58.31 55.38 1afi n LYS 40 Cb 0.66 -0.72 0.01 0.00 0.00 0.00 0.00 35.03 34.98 1afi n LYS 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1afi n ARG 41 N -0.79 -0.51 -3.77 1.64 5.12 -0.88 -4.82 116.66 112.64 1afi n ARG 41 Ca -0.02 0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 1afi n ARG 41 Cb 0.83 -2.88 -0.08 0.00 -1.16 0.00 0.00 32.46 29.18 1afi n ARG 41 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1afi s GLU 42 N -7.25 0.70 0.01 5.56 -1.05 -0.93 -0.99 118.70 114.74 1afi s GLU 42 Ca 0.43 -0.34 0.07 0.00 -0.15 0.00 0.00 54.97 54.98 1afi s GLU 42 Cb -0.22 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1afi s GLU 42 CO 0.96 -0.20 -0.21 0.00 0.95 0.00 0.00 175.26 176.75 1afi s ALA 43 N -1.82 2.42 -0.34 -0.84 0.00 -0.75 -0.54 121.76 119.89 1afi s ALA 43 Ca -0.10 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1afi s ALA 43 Cb -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1afi s ALA 43 CO 0.01 0.55 0.12 0.54 0.00 0.00 0.00 175.76 176.98 1afi s VAL 44 N -0.77 3.91 0.02 0.00 0.11 -0.87 0.34 120.40 123.15 1afi s VAL 44 Ca 0.12 -1.05 0.07 0.00 -2.93 0.00 0.00 61.98 58.19 1afi s VAL 44 Cb -0.10 -3.19 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 1afi s VAL 44 CO 0.02 -0.16 -0.19 0.54 -3.33 0.00 0.00 175.10 171.98 1afi s VAL 45 N 1.43 2.71 0.11 2.04 0.11 -0.18 -0.73 120.40 125.89 1afi s VAL 45 Ca -0.01 -1.14 0.06 0.00 -2.93 0.00 0.00 61.98 57.96 1afi s VAL 45 Cb -0.19 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 1afi s VAL 45 CO 0.03 0.39 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.29 1afi s THR 46 N -0.87 3.86 0.08 5.04 2.01 -0.75 -1.13 115.64 123.88 1afi s THR 46 Ca 0.14 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.76 1afi s THR 46 Cb -0.10 -2.85 0.09 0.00 0.01 0.00 0.00 72.50 69.64 1afi s THR 46 CO 0.04 0.08 1.13 0.72 -0.69 0.00 0.00 174.62 175.90 1afi s PHE 47 N -1.36 -0.04 -0.26 4.92 -0.12 -0.43 -1.50 117.98 119.19 1afi s PHE 47 Ca 0.25 -0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 56.87 1afi s PHE 47 Cb -0.11 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1afi s PHE 47 CO 0.18 -0.59 0.06 0.16 -0.05 0.00 0.00 175.22 174.97 1afi s ASP 48 N -3.16 5.03 0.07 1.98 1.47 -1.18 -1.23 116.67 119.65 1afi s ASP 48 Ca 0.17 -0.34 0.04 0.00 1.18 0.00 0.00 52.55 53.60 1afi s ASP 48 Cb 0.01 -1.89 0.23 0.00 -0.34 0.00 0.00 42.92 40.93 1afi s ASP 48 CO 0.00 -0.07 1.12 -0.90 0.68 0.00 0.00 175.17 176.00 1afi n ASP 49 N 4.90 0.11 0.21 2.11 5.75 -0.81 -1.69 116.55 127.12 1afi n ASP 49 Ca -0.16 0.54 0.06 0.00 -0.01 0.00 0.00 54.79 55.22 1afi n ASP 49 Cb 0.51 -0.55 0.44 0.00 -1.03 0.00 0.00 41.12 40.49 1afi n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1afi h THR 50 N 0.00 0.92 0.00 2.12 1.03 -1.93 -3.21 112.91 111.84 1afi h THR 50 Ca 0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.21 1afi h THR 50 Cb 0.04 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1afi h THR 50 CO 0.00 0.30 0.00 0.29 -0.01 0.00 0.00 175.52 176.10 1afi n LYS 51 N -3.74 -0.74 -0.12 0.00 5.02 -0.68 -5.02 118.16 112.87 1afi n LYS 51 Ca -0.01 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.75 1afi n LYS 51 Cb 0.41 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1afi n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afi n ALA 52 N -0.03 0.00 0.00 7.82 0.00 -1.05 -2.16 120.51 125.10 1afi n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1afi n ALA 52 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1afi n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afi n SER 53 N -0.03 0.00 -0.33 0.00 2.88 -1.26 -4.02 113.62 110.86 1afi n SER 53 Ca 0.00 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.78 1afi n SER 53 Cb 0.00 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 63.92 1afi n SER 53 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1afi h VAL 54 N 0.54 0.06 -0.41 2.46 2.07 -1.99 0.71 116.25 119.70 1afi h VAL 54 Ca 0.00 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1afi h VAL 54 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.70 1afi h VAL 54 CO 0.00 0.01 -0.08 -0.61 0.02 0.00 0.00 177.57 176.91 1afi h GLN 55 N 0.06 0.02 0.00 1.57 5.75 -1.99 -0.27 115.11 120.24 1afi h GLN 55 Ca 0.74 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 59.20 1afi h GLN 55 Cb 1.78 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.33 1afi h GLN 55 CO -0.79 0.01 -0.19 -0.22 -2.65 0.00 0.00 178.83 174.99 1afi h LYS 56 N 0.02 0.00 0.32 1.69 1.63 0.00 -1.60 116.57 118.63 1afi h LYS 56 Ca 0.20 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1afi h LYS 56 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1afi h LYS 56 CO -0.41 0.19 -0.15 -0.07 -3.45 0.00 0.00 179.45 175.56 1afi h LEU 57 N 0.00 -0.37 -2.22 5.20 3.38 0.38 -0.14 115.31 121.54 1afi h LEU 57 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1afi h LEU 57 Cb 0.86 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1afi h LEU 57 CO 0.02 0.01 0.18 0.74 0.09 0.00 0.00 178.44 179.49 1afi h THR 58 N -0.97 0.52 -0.13 0.22 2.02 -1.31 0.23 112.91 113.48 1afi h THR 58 Ca -0.04 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 1afi h THR 58 Cb 0.33 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1afi h THR 58 CO 0.07 0.00 -0.66 0.50 0.37 0.00 0.00 175.52 175.81 1afi h LYS 59 N 0.00 0.51 -0.55 6.66 3.64 -1.19 -0.08 116.57 125.56 1afi h LYS 59 Ca 0.08 -0.37 -0.09 0.00 -1.27 0.00 0.00 60.65 59.00 1afi h LYS 59 Cb 0.45 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1afi h LYS 59 CO -0.00 0.99 0.01 0.00 -2.27 0.00 0.00 179.45 178.18 1afi h ALA 60 N 0.91 0.75 0.00 5.00 0.00 0.14 -0.31 119.26 125.74 1afi h ALA 60 Ca -0.02 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1afi h ALA 60 Cb 1.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1afi h ALA 60 CO 0.12 0.57 -0.68 0.00 0.00 0.00 0.00 179.25 179.26 1afi h THR 61 N 0.86 1.48 -0.16 0.00 1.03 -1.38 -0.55 112.91 114.18 1afi h THR 61 Ca 0.16 -2.33 -0.07 0.00 -0.01 0.00 0.00 66.41 64.16 1afi h THR 61 Cb 0.53 2.26 -0.01 0.00 -1.07 0.00 0.00 68.15 69.86 1afi h THR 61 CO 0.03 0.66 -0.22 0.00 -0.01 0.00 0.00 175.52 175.98 1afi h ALA 62 N 1.32 1.32 0.00 0.00 0.00 -0.51 -1.07 119.26 120.32 1afi h ALA 62 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1afi h ALA 62 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1afi h ALA 62 CO 0.09 0.46 -0.66 -3.47 0.00 0.00 0.00 179.25 175.67 1afi n ASP 63 N -4.17 0.60 0.12 0.00 2.03 -0.17 -3.70 116.55 111.24 1afi n ASP 63 Ca -0.01 -0.15 -0.01 0.00 0.52 0.00 0.00 54.79 55.14 1afi n ASP 63 Cb 0.35 0.36 0.03 0.00 -0.72 0.00 0.00 41.12 41.14 1afi n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1afi h ALA 64 N 2.76 0.62 0.00 -1.67 0.00 -0.36 -3.46 119.26 117.15 1afi h ALA 64 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1afi h ALA 64 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1afi h ALA 64 CO 0.00 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.51 1afi n GLY 65 N 1.05 0.72 2.82 0.00 0.00 -0.94 -5.06 105.19 103.78 1afi n GLY 65 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1afi n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1afi s TYR 66 N -0.72 -0.52 -0.63 1.61 2.02 -0.48 -4.89 117.35 113.74 1afi s TYR 66 Ca 0.00 0.43 -0.26 0.00 -0.37 0.00 0.00 57.07 56.87 1afi s TYR 66 Cb 0.00 -0.22 -0.10 0.00 -0.40 0.00 0.00 41.96 41.24 1afi s TYR 66 CO 0.00 -0.68 2.42 -2.30 -1.57 0.00 0.00 175.55 173.42 1afi n PRO 67 N 5.34 0.81 -1.27 -1.71 -0.02 -1.26 -3.28 135.00 133.60 1afi n PRO 67 Ca -0.04 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 1afi n PRO 67 Cb 0.50 -3.56 0.00 0.00 -0.02 0.00 0.00 33.50 30.42 1afi n PRO 67 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1afi n SER 68 N 17.25 0.90 -0.08 2.55 2.88 -1.25 -4.47 113.62 131.40 1afi n SER 68 Ca 0.42 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1afi n SER 68 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1afi n SER 68 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1afi n SER 69 N -1.83 0.00 -4.07 -3.46 3.41 -0.59 -4.91 113.62 102.17 1afi n SER 69 Ca 0.00 -0.08 -0.07 0.00 -0.26 0.00 0.00 58.87 58.46 1afi n SER 69 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1afi n SER 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1afi s VAL 70 N -2.20 0.21 -0.13 -3.33 0.11 -1.26 -1.70 120.40 112.10 1afi s VAL 70 Ca 0.00 -1.72 0.15 0.00 -2.93 0.00 0.00 61.98 57.47 1afi s VAL 70 Cb 0.00 -1.42 0.32 0.00 -1.53 0.00 0.00 36.38 33.75 1afi s VAL 70 CO 0.00 -0.95 1.16 0.29 -3.33 0.00 0.00 175.10 172.27 1afi n LYS 71 N 0.22 1.08 -0.25 1.54 5.02 -0.61 -4.86 118.16 120.30 1afi n LYS 71 Ca -0.15 -2.60 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 1afi n LYS 71 Cb 0.61 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1afi n LYS 71 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92