#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gga s GLN 2 N 0.00 3.13 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.47 3gga s GLN 2 Ca 0.00 -0.78 -0.03 0.00 0.05 0.00 0.00 55.36 54.60 3gga s GLN 2 Cb 0.00 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.49 3gga s GLN 2 CO 0.00 -0.10 -0.05 0.42 -0.55 0.00 0.00 175.29 175.01 3gga s ILE 3 N 1.07 3.12 0.76 -2.34 1.01 -1.26 -5.10 121.20 118.45 3gga s ILE 3 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 3gga s ILE 3 Cb -0.14 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.89 3gga s ILE 3 CO -0.05 0.31 1.12 0.42 0.00 0.00 0.00 174.94 176.74 3gga s THR 4 N 1.40 2.46 -0.17 2.92 -4.23 -1.26 -5.04 115.64 111.72 3gga s THR 4 Ca 0.03 0.06 0.16 0.00 -1.18 0.00 0.00 61.69 60.77 3gga s THR 4 Cb -0.15 -3.13 0.40 0.00 1.34 0.00 0.00 72.50 70.95 3gga s THR 4 CO -0.04 -0.16 1.27 0.18 -0.54 0.00 0.00 174.62 175.32 3gga n LEU 5 N -3.15 3.01 0.15 4.79 4.77 -1.26 -4.64 117.00 120.68 3gga n LEU 5 Ca 0.08 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 3gga n LEU 5 Cb 0.60 -0.50 0.26 0.00 -2.33 0.00 0.00 43.42 41.45 3gga n LEU 5 CO 0.56 0.85 0.62 -0.50 -1.33 0.00 0.00 177.39 177.59 3gga h TRP 6 N 0.73 0.05 -1.91 -1.77 4.06 -2.06 -3.43 115.95 111.62 3gga h TRP 6 Ca 0.02 -0.02 -0.58 0.00 2.06 0.00 0.00 58.89 60.38 3gga h TRP 6 Cb 1.19 -0.01 -0.10 0.00 -1.00 0.00 0.00 29.16 29.24 3gga h TRP 6 CO 0.34 0.51 -0.60 -0.65 -3.56 0.00 0.00 178.44 174.48 3gga s GLN 7 N -3.96 2.13 0.18 0.49 -0.21 -1.26 -5.10 119.66 111.93 3gga s GLN 7 Ca -0.03 -1.71 -0.33 0.00 0.02 0.00 0.00 55.36 53.31 3gga s GLN 7 Cb 0.14 -1.97 -0.13 0.00 1.00 0.00 0.00 33.01 32.04 3gga s GLN 7 CO 0.75 0.13 1.63 0.54 -2.12 0.00 0.00 175.29 176.22 3gga n ARG 8 N -0.99 2.37 -1.09 2.91 1.74 -1.26 -4.86 116.66 115.48 3gga n ARG 8 Ca -0.04 0.86 -0.39 0.00 -0.77 0.00 0.00 57.85 57.51 3gga n ARG 8 Cb 0.62 -2.65 -0.05 0.00 -1.02 0.00 0.00 32.46 29.36 3gga n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gga n PRO 9 N 3.62 1.66 -3.09 5.56 -0.04 -1.26 -4.91 135.00 136.53 3gga n PRO 9 Ca 0.17 -1.79 -0.39 0.00 -0.04 0.00 0.00 63.50 61.44 3gga n PRO 9 Cb 0.31 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 30.88 3gga n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gga s LEU 10 N 0.99 4.32 0.15 1.53 1.43 -1.26 -1.63 118.68 124.20 3gga s LEU 10 Ca 0.53 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.80 3gga s LEU 10 Cb 0.14 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 3gga s LEU 10 CO 0.08 -0.08 -0.07 0.68 0.23 0.00 0.00 176.35 177.19 3gga s VAL 11 N 0.69 0.99 0.08 -1.59 -7.23 -0.27 -4.95 120.40 108.12 3gga s VAL 11 Ca 0.35 -2.02 -0.26 0.00 -1.81 0.00 0.00 61.98 58.24 3gga s VAL 11 Cb -0.17 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 3gga s VAL 11 CO 0.17 -0.71 0.83 -0.89 -0.31 0.00 0.00 175.10 174.19 3gga s THR 12 N -3.44 4.63 0.12 5.32 2.01 -1.26 -1.05 115.64 121.96 3gga s THR 12 Ca 0.17 1.77 0.08 0.00 0.31 0.00 0.00 61.69 64.02 3gga s THR 12 Cb 0.04 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 3gga s THR 12 CO 0.00 0.36 -0.20 0.27 -0.69 0.00 0.00 174.62 174.37 3gga s ILE 13 N -0.14 1.71 -0.15 1.82 -4.36 -0.27 -1.41 121.20 118.40 3gga s ILE 13 Ca 0.41 -1.64 -0.00 0.00 -0.26 0.00 0.00 60.65 59.15 3gga s ILE 13 Cb -0.22 -1.62 -0.00 0.00 1.25 0.00 0.00 42.46 41.87 3gga s ILE 13 CO 0.25 -0.15 -0.14 -0.75 0.24 0.00 0.00 174.94 174.40 3gga s LYS 14 N -2.17 3.26 -0.08 0.37 2.20 0.20 -1.57 119.74 121.96 3gga s LYS 14 Ca 0.09 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 3gga s LYS 14 Cb -0.09 -2.66 0.04 0.00 -1.51 0.00 0.00 37.83 33.62 3gga s LYS 14 CO 0.05 0.04 0.19 -1.50 -0.36 0.00 0.00 175.35 173.77 3gga s ILE 15 N 0.76 -0.04 -1.34 5.43 2.07 -0.44 -1.22 121.20 126.42 3gga s ILE 15 Ca -0.06 0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 59.18 3gga s ILE 15 Cb -0.15 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.15 3gga s ILE 15 CO 0.01 0.06 0.28 0.61 -1.91 0.00 0.00 174.94 173.99 3gga n GLY 16 N 4.10 -0.41 3.62 1.50 0.00 -1.26 -0.98 105.19 111.76 3gga n GLY 16 Ca -0.25 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gga n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gga n GLY 17 N -2.32 2.83 3.86 -0.02 0.00 -1.26 -5.00 105.19 103.28 3gga n GLY 17 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3gga n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gga s GLN 18 N -0.05 3.70 -0.10 1.61 -0.21 -0.15 -5.08 119.66 119.37 3gga s GLN 18 Ca 0.00 0.13 -0.17 0.00 0.02 0.00 0.00 55.36 55.34 3gga s GLN 18 Cb 0.00 -3.14 -0.05 0.00 1.00 0.00 0.00 33.01 30.83 3gga s GLN 18 CO 0.00 0.67 0.46 -0.51 -2.12 0.00 0.00 175.29 173.79 3gga s LEU 19 N -1.40 4.31 0.20 2.90 1.43 -1.26 -1.33 118.68 123.52 3gga s LEU 19 Ca 0.25 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3gga s LEU 19 Cb -0.14 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3gga s LEU 19 CO 0.13 0.06 0.14 -0.54 0.23 0.00 0.00 176.35 176.37 3gga s LYS 20 N 0.33 1.20 -0.08 1.70 1.02 -0.61 -5.01 119.74 118.30 3gga s LYS 20 Ca 0.25 -1.61 -0.01 0.00 0.02 0.00 0.00 55.97 54.62 3gga s LYS 20 Cb -0.15 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 3gga s LYS 20 CO 0.10 -0.39 -0.04 -2.00 -0.92 0.00 0.00 175.35 172.10 3gga s GLU 21 N -4.15 2.93 0.04 1.68 2.12 -1.26 -1.11 118.70 118.94 3gga s GLU 21 Ca 0.38 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.23 3gga s GLU 21 Cb 0.07 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3gga s GLU 21 CO 0.12 0.63 -0.06 0.00 -0.54 0.00 0.00 175.26 175.41 3gga s ALA 22 N -0.71 0.42 -0.18 6.30 0.00 -0.22 -4.46 121.76 122.91 3gga s ALA 22 Ca 0.11 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 3gga s ALA 22 Cb -0.11 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3gga s ALA 22 CO 0.02 -0.11 0.37 -1.17 0.00 0.00 0.00 175.76 174.87 3gga s LEU 23 N -1.72 4.19 -0.45 0.00 2.96 0.99 -1.11 118.68 123.54 3gga s LEU 23 Ca -0.10 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 3gga s LEU 23 Cb -0.08 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.16 3gga s LEU 23 CO -0.01 -0.02 1.15 -0.76 -1.32 0.00 0.00 176.35 175.39 3gga s LEU 24 N 1.02 3.68 -0.30 -0.68 1.43 -0.65 -0.72 118.68 122.46 3gga s LEU 24 Ca 0.19 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 3gga s LEU 24 Cb -0.14 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.62 3gga s LEU 24 CO 0.07 -1.21 0.04 -0.62 0.23 0.00 0.00 176.35 174.86 3gga s ASP 25 N 2.43 4.21 0.45 2.29 2.15 -0.02 -4.82 116.67 123.35 3gga s ASP 25 Ca 0.48 -1.67 0.30 0.00 0.43 0.00 0.00 52.55 52.10 3gga s ASP 25 Cb -0.08 -1.20 1.24 0.00 -0.30 0.00 0.00 42.92 42.58 3gga s ASP 25 CO 0.29 -0.35 1.89 0.71 -0.17 0.00 0.00 175.17 177.54 3gga h THR 26 N 6.58 0.00 -0.09 1.71 1.35 -1.95 -2.72 112.91 117.79 3gga h THR 26 Ca -0.12 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3gga h THR 26 Cb 1.03 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3gga h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3gga n GLY 27 N 0.01 -0.44 3.09 5.82 0.00 -1.26 -4.80 105.19 107.61 3gga n GLY 27 Ca 0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3gga n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gga s ALA 28 N -1.84 1.75 0.18 4.61 0.00 -1.03 -5.01 121.76 120.43 3gga s ALA 28 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.19 3gga s ALA 28 Cb 0.03 -0.80 0.07 0.00 0.00 0.00 0.00 23.12 22.42 3gga s ALA 28 CO 0.04 0.02 1.59 -0.44 0.00 0.00 0.00 175.76 176.97 3gga h ASP 29 N 7.22 0.98 -1.91 0.00 3.32 -1.87 0.99 116.42 125.15 3gga h ASP 29 Ca -0.29 -0.35 -0.57 0.00 0.02 0.00 0.00 57.03 55.84 3gga h ASP 29 Cb 1.19 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 40.38 3gga h ASP 29 CO 0.49 1.12 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.74 3gga s ASP 30 N -6.70 4.39 -0.21 6.45 1.01 -1.26 -2.57 116.67 117.77 3gga s ASP 30 Ca -0.11 -0.90 -0.11 0.00 0.71 0.00 0.00 52.55 52.14 3gga s ASP 30 Cb 0.13 -0.62 -0.05 0.00 1.01 0.00 0.00 42.92 43.39 3gga s ASP 30 CO 0.86 -0.26 0.19 -0.89 0.21 0.00 0.00 175.17 175.28 3gga s THR 31 N -2.48 5.36 -0.08 -1.27 2.01 -1.26 -3.11 115.64 114.81 3gga s THR 31 Ca 0.36 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.64 3gga s THR 31 Cb -0.01 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 69.00 3gga s THR 31 CO 0.21 0.38 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 3gga s VAL 32 N 0.72 0.47 0.17 3.82 1.01 -0.16 -1.25 120.40 125.18 3gga s VAL 32 Ca 0.10 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.23 3gga s VAL 32 Cb -0.13 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3gga s VAL 32 CO 0.02 0.28 -0.04 -0.76 0.00 0.00 0.00 175.10 174.60 3gga s LEU 33 N 1.94 3.18 0.87 3.92 1.43 -0.08 -0.25 118.68 129.67 3gga s LEU 33 Ca 0.05 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 3gga s LEU 33 Cb -0.12 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.37 3gga s LEU 33 CO -0.06 0.10 1.18 -0.62 0.23 0.00 0.00 176.35 177.18 3gga n GLU 34 N -0.02 -0.16 -1.53 1.70 1.02 -1.26 -2.36 120.64 118.03 3gga n GLU 34 Ca -0.10 0.03 -0.55 0.00 -0.02 0.00 0.00 57.16 56.52 3gga n GLU 34 Cb 0.55 -2.41 -0.07 0.00 -0.02 0.00 0.00 31.44 29.49 3gga n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3gga n GLU 35 N -3.81 0.44 -3.66 3.49 4.07 -1.22 -4.67 120.64 115.27 3gga n GLU 35 Ca 0.13 0.16 -0.01 0.00 -0.06 0.00 0.00 57.16 57.38 3gga n GLU 35 Cb 0.51 -1.66 -0.01 0.00 -0.06 0.00 0.00 31.44 30.22 3gga n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gga s MET 36 N 0.02 0.69 -0.06 5.31 0.23 -1.26 -5.05 119.30 119.18 3gga s MET 36 Ca 0.85 -0.38 -0.15 0.00 -1.03 0.00 0.00 55.69 54.98 3gga s MET 36 Cb -1.11 0.24 -0.05 0.00 -1.53 0.00 0.00 34.83 32.38 3gga s MET 36 CO 0.54 -0.32 0.40 -1.12 -2.03 0.00 0.00 175.02 172.49 3gga s SER 37 N -2.92 6.70 0.06 -1.18 0.01 -1.26 -5.06 113.70 110.05 3gga s SER 37 Ca 0.13 0.83 0.02 0.00 1.31 0.00 0.00 55.95 58.24 3gga s SER 37 Cb 0.02 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 3gga s SER 37 CO -0.02 0.20 -0.07 -0.76 0.41 0.00 0.00 173.24 173.00 3gga s LEU 38 N -0.34 2.34 0.74 2.44 1.43 -1.26 -4.95 118.68 119.09 3gga s LEU 38 Ca 0.23 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 3gga s LEU 38 Cb -0.15 -0.14 0.04 0.00 0.03 0.00 0.00 46.19 45.96 3gga s LEU 38 CO 0.11 -0.29 1.12 -2.16 0.23 0.00 0.00 176.35 175.36 3gga s PRO 39 N -2.37 2.54 0.85 1.29 0.04 -1.26 -4.97 135.00 131.12 3gga s PRO 39 Ca -0.02 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.38 3gga s PRO 39 Cb -0.05 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3gga s PRO 39 CO -0.01 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.20 3gga n GLY 40 N -3.05 -1.96 3.99 0.56 0.00 -1.26 -4.94 105.19 98.52 3gga n GLY 40 Ca 0.07 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 3gga n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gga s ARG 41 N 0.00 3.10 0.13 1.61 1.70 -1.26 -5.13 118.95 119.11 3gga s ARG 41 Ca 0.00 -0.95 0.07 0.00 -0.47 0.00 0.00 55.73 54.38 3gga s ARG 41 Cb 0.00 -2.78 -0.04 0.00 -0.57 0.00 0.00 34.95 31.56 3gga s ARG 41 CO 0.00 0.01 -0.16 1.67 -1.08 0.00 0.00 175.30 175.74 3gga s TRP 42 N -2.23 1.57 0.33 5.89 1.48 -1.26 -4.56 118.94 120.16 3gga s TRP 42 Ca 0.46 -0.51 0.08 0.00 -1.06 0.00 0.00 56.10 55.07 3gga s TRP 42 Cb -0.10 -0.81 -0.04 0.00 -1.16 0.00 0.00 33.47 31.36 3gga s TRP 42 CO 0.32 0.21 0.17 0.15 -4.06 0.00 0.00 176.95 173.74 3gga s LYS 43 N -2.62 2.48 0.31 3.25 1.02 -0.62 -4.86 119.74 118.68 3gga s LYS 43 Ca 0.11 -1.46 -0.10 0.00 0.02 0.00 0.00 55.97 54.54 3gga s LYS 43 Cb -0.06 -2.26 -0.07 0.00 -0.52 0.00 0.00 37.83 34.92 3gga s LYS 43 CO 0.04 0.14 0.64 -1.25 -0.92 0.00 0.00 175.35 174.01 3gga s PRO 44 N -3.87 3.80 -0.08 -1.68 0.04 -1.26 -0.95 135.00 131.00 3gga s PRO 44 Ca 0.38 0.34 -0.25 0.00 0.04 0.00 0.00 61.00 61.52 3gga s PRO 44 Cb -0.04 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 32.02 3gga s PRO 44 CO 0.23 0.17 0.56 0.21 0.04 0.00 0.00 177.00 178.22 3gga s LYS 45 N -3.28 0.88 -0.08 4.56 2.20 -1.00 -4.84 119.74 118.18 3gga s LYS 45 Ca 0.49 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.40 3gga s LYS 45 Cb -0.11 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 3gga s LYS 45 CO 0.25 -0.24 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.16 3gga s MET 46 N -0.91 2.78 0.00 4.03 -1.94 -1.26 -1.04 119.30 120.96 3gga s MET 46 Ca -0.09 -0.81 0.07 0.00 -1.71 0.00 0.00 55.69 53.14 3gga s MET 46 Cb -0.02 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 3gga s MET 46 CO 0.07 0.37 -0.21 0.96 -0.01 0.00 0.00 175.02 176.20 3gga s ILE 47 N -0.11 1.67 -0.09 2.53 -4.36 -1.01 -4.96 121.20 114.87 3gga s ILE 47 Ca -0.04 -0.98 -0.00 0.00 -0.26 0.00 0.00 60.65 59.37 3gga s ILE 47 Cb -0.14 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 3gga s ILE 47 CO 0.04 0.40 -0.06 -0.83 0.24 0.00 0.00 174.94 174.73 3gga s GLY 48 N -0.69 1.72 0.00 6.27 0.00 -1.26 -2.08 107.32 111.28 3gga s GLY 48 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3gga s GLY 48 CO -0.00 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.17 3gga n GLY 49 N 2.46 5.64 0.38 0.20 0.00 -0.45 -5.00 105.19 108.41 3gga n GLY 49 Ca -0.18 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.10 3gga n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gga h ILE 50 N 0.46 0.79 -0.13 -0.61 6.09 -2.03 -2.99 117.51 119.09 3gga h ILE 50 Ca 0.00 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 3gga h ILE 50 Cb 0.00 0.50 0.00 0.00 0.47 0.00 0.00 36.82 37.79 3gga h ILE 50 CO 0.00 0.05 0.00 0.61 -3.07 0.00 0.00 178.15 175.74 3gga n GLY 51 N -1.57 0.82 0.00 8.18 0.00 -1.26 -5.10 105.19 106.26 3gga n GLY 51 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gga n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gga n GLY 52 N 0.55 0.82 3.81 -0.02 0.00 -1.13 -5.12 105.19 104.10 3gga n GLY 52 Ca 0.08 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 3gga n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gga s PHE 53 N -1.59 3.15 0.17 1.61 0.40 -1.26 -1.35 117.98 119.12 3gga s PHE 53 Ca 0.00 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 3gga s PHE 53 Cb 0.00 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 3gga s PHE 53 CO 0.00 0.52 -0.12 0.96 0.70 0.00 0.00 175.22 177.27 3gga s ILE 54 N -1.83 1.47 -0.17 0.64 -4.36 -0.88 -4.98 121.20 111.08 3gga s ILE 54 Ca 0.31 -2.12 -0.17 0.00 -0.26 0.00 0.00 60.65 58.42 3gga s ILE 54 Cb -0.10 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3gga s ILE 54 CO 0.24 -0.66 0.42 -0.54 0.24 0.00 0.00 174.94 174.64 3gga s LYS 55 N -3.65 4.24 0.21 0.37 1.02 -1.26 -2.39 119.74 118.28 3gga s LYS 55 Ca 0.19 0.28 0.06 0.00 0.02 0.00 0.00 55.97 56.53 3gga s LYS 55 Cb 0.01 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 3gga s LYS 55 CO 0.04 0.05 -0.09 0.14 -0.92 0.00 0.00 175.35 174.57 3gga s VAL 56 N 1.01 1.44 -0.18 3.17 -7.23 -0.20 -4.52 120.40 113.89 3gga s VAL 56 Ca 0.21 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.18 3gga s VAL 56 Cb -0.15 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3gga s VAL 56 CO 0.08 -0.51 0.10 -0.13 -0.31 0.00 0.00 175.10 174.34 3gga s ARG 57 N -3.73 4.00 -0.33 4.82 0.52 0.08 -2.38 118.95 121.93 3gga s ARG 57 Ca 0.24 -0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.07 3gga s ARG 57 Cb 0.02 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 3gga s ARG 57 CO 0.07 0.36 0.20 -1.14 0.02 0.00 0.00 175.30 174.81 3gga s GLN 58 N 0.17 3.42 0.01 3.54 0.74 -0.12 -1.08 119.66 126.35 3gga s GLN 58 Ca 0.07 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.80 3gga s GLN 58 Cb -0.12 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 3gga s GLN 58 CO -0.01 -0.44 0.08 0.71 -0.55 0.00 0.00 175.29 175.09 3gga s TYR 59 N 1.68 3.27 0.23 1.67 1.51 -0.15 -1.59 117.35 123.97 3gga s TYR 59 Ca 0.05 0.19 0.09 0.00 -1.01 0.00 0.00 57.07 56.39 3gga s TYR 59 Cb -0.17 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 3gga s TYR 59 CO 0.09 0.55 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.54 3gga s ASP 60 N -1.83 4.53 -1.51 2.29 1.01 -1.26 -1.51 116.67 118.40 3gga s ASP 60 Ca 0.24 -0.58 -0.08 0.00 0.71 0.00 0.00 52.55 52.84 3gga s ASP 60 Cb -0.12 -0.85 0.06 0.00 1.01 0.00 0.00 42.92 43.02 3gga s ASP 60 CO 0.15 0.04 0.65 0.00 0.21 0.00 0.00 175.17 176.22 3gga n GLN 61 N -0.57 -3.79 -3.01 8.23 6.02 -1.14 -4.91 117.38 118.22 3gga n GLN 61 Ca -0.08 0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 56.95 3gga n GLN 61 Cb 0.58 -4.92 -0.05 0.00 1.02 0.00 0.00 30.24 26.87 3gga n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3gga s ILE 62 N -3.63 4.97 0.10 5.09 -1.09 0.11 -4.60 121.20 122.16 3gga s ILE 62 Ca 0.33 1.44 -0.31 0.00 -2.23 0.00 0.00 60.65 59.88 3gga s ILE 62 Cb -0.17 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 3gga s ILE 62 CO 0.88 0.12 1.27 -0.22 -1.23 0.00 0.00 174.94 175.76 3gga s LEU 63 N 1.69 4.38 -0.18 2.97 2.96 -1.26 -2.13 118.68 127.11 3gga s LEU 63 Ca 0.35 2.18 -0.10 0.00 -0.22 0.00 0.00 54.13 56.33 3gga s LEU 63 Cb -0.17 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.00 3gga s LEU 63 CO 0.13 -0.53 0.44 -0.51 -1.32 0.00 0.00 176.35 174.56 3gga s ILE 64 N 0.88 -0.02 -0.22 6.68 2.07 0.56 -4.42 121.20 126.73 3gga s ILE 64 Ca 0.60 0.08 -0.09 0.00 -1.41 0.00 0.00 60.65 59.82 3gga s ILE 64 Cb -0.33 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 3gga s ILE 64 CO 0.31 0.03 0.12 -0.70 -1.91 0.00 0.00 174.94 172.79 3gga s GLU 65 N 1.33 4.02 -0.34 3.50 2.12 -0.36 0.28 118.70 129.24 3gga s GLU 65 Ca -0.09 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 3gga s GLU 65 Cb -0.08 -3.42 0.07 0.00 0.26 0.00 0.00 34.13 30.97 3gga s GLU 65 CO -0.12 0.12 0.06 0.42 -0.54 0.00 0.00 175.26 175.20 3gga s ILE 66 N 0.85 2.99 -1.30 -3.70 1.01 0.22 -0.62 121.20 120.64 3gga s ILE 66 Ca 0.06 -1.69 -0.07 0.00 0.00 0.00 0.00 60.65 58.96 3gga s ILE 66 Cb -0.13 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 3gga s ILE 66 CO 0.03 -0.33 0.59 0.00 0.00 0.00 0.00 174.94 175.22 3gga n GLY 68 N -1.81 3.01 3.53 0.00 0.00 -1.26 -4.96 105.19 103.70 3gga n GLY 68 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3gga n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gga s HIS 69 N -1.98 3.11 0.33 1.61 4.02 0.44 -5.09 115.29 117.73 3gga s HIS 69 Ca 0.00 -0.20 -0.27 0.00 1.02 0.00 0.00 55.06 55.61 3gga s HIS 69 Cb 0.00 -2.05 -0.09 0.00 -1.02 0.00 0.00 32.58 29.42 3gga s HIS 69 CO 0.00 -0.03 1.07 0.15 1.02 0.00 0.00 174.74 176.94 3gga s LYS 70 N 0.59 4.43 -0.03 1.40 1.02 -1.26 0.69 119.74 126.58 3gga s LYS 70 Ca 0.00 1.65 -0.05 0.00 0.02 0.00 0.00 55.97 57.59 3gga s LYS 70 Cb -0.14 -2.89 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 3gga s LYS 70 CO 0.02 0.06 0.13 0.00 -0.92 0.00 0.00 175.35 174.64 3gga s ALA 71 N -1.40 -0.32 -0.11 5.17 0.00 0.14 -4.69 121.76 120.56 3gga s ALA 71 Ca 0.51 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 3gga s ALA 71 Cb -0.27 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3gga s ALA 71 CO 0.34 -0.12 -0.01 0.42 0.00 0.00 0.00 175.76 176.39 3gga s ILE 72 N -0.49 0.57 -0.95 0.00 1.01 -1.26 -0.33 121.20 119.75 3gga s ILE 72 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3gga s ILE 72 Cb -0.04 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.66 3gga s ILE 72 CO 0.01 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3gga n GLY 73 N 5.07 -0.61 3.71 6.18 0.00 -0.91 -4.81 105.19 113.83 3gga n GLY 73 Ca -0.09 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 3gga n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gga s THR 74 N -3.29 4.95 -0.09 2.61 2.01 -1.26 0.06 115.64 120.63 3gga s THR 74 Ca 0.00 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.73 3gga s THR 74 Cb 0.00 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.36 3gga s THR 74 CO 0.00 0.18 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.27 3gga s VAL 75 N 1.12 1.39 -0.08 3.82 1.01 -0.57 -4.46 120.40 122.63 3gga s VAL 75 Ca 0.43 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 3gga s VAL 75 Cb -0.19 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3gga s VAL 75 CO 0.21 0.42 0.12 -0.76 0.00 0.00 0.00 175.10 175.08 3gga s LEU 76 N 0.84 4.20 -0.07 3.92 1.43 -0.38 -0.98 118.68 127.64 3gga s LEU 76 Ca -0.10 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3gga s LEU 76 Cb -0.15 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3gga s LEU 76 CO 0.01 0.37 -0.15 -0.69 0.23 0.00 0.00 176.35 176.12 3gga s VAL 77 N -1.07 1.37 -0.13 -1.59 1.01 -0.24 -0.90 120.40 118.84 3gga s VAL 77 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3gga s VAL 77 Cb -0.12 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3gga s VAL 77 CO 0.07 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3gga n GLY 78 N 3.69 -1.18 2.73 4.51 0.00 -0.99 -0.74 105.19 113.20 3gga n GLY 78 Ca -0.22 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3gga n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gga n PRO 79 N 0.00 3.21 -3.72 1.61 -0.04 -1.26 -3.42 135.00 131.37 3gga n PRO 79 Ca 0.00 -2.89 -0.37 0.00 -0.04 0.00 0.00 63.50 60.20 3gga n PRO 79 Cb 0.00 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 3gga n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3gga s THR 80 N 2.11 5.30 0.39 0.52 -1.32 -1.26 -5.01 115.64 116.37 3gga s THR 80 Ca 0.46 0.44 0.18 0.00 -1.21 0.00 0.00 61.69 61.56 3gga s THR 80 Cb 0.13 -3.54 0.19 0.00 -1.51 0.00 0.00 72.50 67.77 3gga s THR 80 CO -0.06 0.56 1.95 -0.65 -2.21 0.00 0.00 174.62 174.21 3gga h PRO 81 N 4.72 0.00 -4.60 7.08 0.11 -1.98 -3.42 132.00 133.91 3gga h PRO 81 Ca -0.53 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.31 3gga h PRO 81 Cb 1.22 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.13 3gga h PRO 81 CO 0.60 0.23 -0.73 0.14 -0.21 0.00 0.00 178.00 178.04 3gga s VAL 82 N -4.27 0.58 0.07 3.15 -7.23 -1.26 -5.04 120.40 106.40 3gga s VAL 82 Ca -0.03 -1.22 -0.31 0.00 -1.81 0.00 0.00 61.98 58.61 3gga s VAL 82 Cb 0.14 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 36.23 3gga s VAL 82 CO 0.67 -0.46 1.20 0.20 -0.31 0.00 0.00 175.10 176.40 3gga s ASN 83 N -1.82 7.07 -0.11 4.85 0.01 -1.26 -4.60 114.94 119.07 3gga s ASN 83 Ca -0.06 2.03 0.01 0.00 -0.71 0.00 0.00 52.86 54.13 3gga s ASN 83 Cb -0.08 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.02 3gga s ASN 83 CO -0.00 -0.47 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.37 3gga s ILE 84 N 1.03 1.30 -0.38 0.60 1.01 0.65 -0.01 121.20 125.40 3gga s ILE 84 Ca 0.59 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.60 3gga s ILE 84 Cb -0.30 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3gga s ILE 84 CO 0.29 0.41 0.32 -0.63 0.00 0.00 0.00 174.94 175.33 3gga s ILE 85 N 1.31 5.22 0.34 2.92 -1.09 0.10 -0.98 121.20 129.02 3gga s ILE 85 Ca -0.01 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 3gga s ILE 85 Cb -0.14 -3.86 0.06 0.00 -1.58 0.00 0.00 42.46 36.94 3gga s ILE 85 CO -0.05 -0.19 0.48 0.61 -1.23 0.00 0.00 174.94 174.55 3gga n GLY 86 N 5.09 1.61 0.25 6.18 0.00 -1.18 -0.84 105.19 116.30 3gga n GLY 86 Ca -0.10 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 43.83 3gga n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gga h ARG 87 N 0.00 0.16 -0.98 1.61 3.08 -0.83 -1.79 114.38 115.63 3gga h ARG 87 Ca -0.16 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.00 3gga h ARG 87 Cb 0.69 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.62 3gga h ARG 87 CO 0.21 0.21 0.60 -2.95 -1.07 0.00 0.00 179.97 176.97 3gga h ASN 88 N 0.16 0.87 0.45 7.04 -1.07 -1.76 -1.31 115.58 119.96 3gga h ASN 88 Ca 0.04 0.06 -0.18 0.00 0.07 0.00 0.00 56.30 56.29 3gga h ASN 88 Cb 0.17 -0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 36.27 3gga h ASN 88 CO 0.01 0.45 -1.70 0.18 0.07 0.00 0.00 177.43 176.43 3gga n LEU 89 N -4.66 0.54 -0.01 6.14 4.77 -1.00 -4.00 117.00 118.78 3gga n LEU 89 Ca 0.19 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 3gga n LEU 89 Cb 0.37 0.14 0.27 0.00 -2.33 0.00 0.00 43.42 41.87 3gga n LEU 89 CO 0.26 0.18 0.89 -0.07 -1.33 0.00 0.00 177.39 177.33 3gga h LEU 90 N 0.00 0.52 -0.67 2.23 3.38 -1.01 -2.82 115.31 116.94 3gga h LEU 90 Ca -0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 3gga h LEU 90 Cb 1.60 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 3gga h LEU 90 CO 0.03 0.62 0.08 0.71 0.09 0.00 0.00 178.44 179.97 3gga h THR 91 N 0.51 1.27 -0.74 0.22 1.35 -1.40 -0.68 112.91 113.43 3gga h THR 91 Ca 0.10 -1.08 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3gga h THR 91 Cb 0.40 0.67 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 3gga h THR 91 CO 0.02 0.40 0.45 1.56 -0.25 0.00 0.00 175.52 177.70 3gga h GLN 92 N 1.03 0.99 -0.39 4.72 4.20 -1.63 -1.93 115.11 122.09 3gga h GLN 92 Ca 0.20 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3gga h GLN 92 Cb 0.48 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3gga h GLN 92 CO 0.02 0.69 0.00 0.44 -0.67 0.00 0.00 178.83 179.31 3gga n ILE 93 N -4.39 0.54 -1.48 2.54 -5.35 -1.12 -4.91 119.36 105.17 3gga n ILE 93 Ca 0.08 -0.51 -0.07 0.00 -0.27 0.00 0.00 62.75 61.98 3gga n ILE 93 Cb 0.06 0.23 -0.02 0.00 -1.74 0.00 0.00 39.64 38.17 3gga n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gga n GLY 94 N 1.08 0.64 3.73 3.28 0.00 -0.73 -5.00 105.19 108.19 3gga n GLY 94 Ca 0.13 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3gga n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gga s THR 96 N 0.26 0.57 -0.16 0.00 -4.23 -1.26 -4.67 115.64 106.15 3gga s THR 96 Ca 0.53 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 3gga s THR 96 Cb -0.30 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 3gga s THR 96 CO 0.33 -0.90 0.20 -0.76 -0.54 0.00 0.00 174.62 172.95 3gga s LEU 97 N -3.00 4.27 0.06 4.79 1.43 -1.26 -5.10 118.68 119.86 3gga s LEU 97 Ca 0.10 0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.66 3gga s LEU 97 Cb 0.06 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3gga s LEU 97 CO -0.06 0.20 -0.14 0.20 0.23 0.00 0.00 176.35 176.78 3gga s ASN 98 N 0.06 1.64 0.00 2.29 0.01 -1.26 -5.31 114.94 112.37 3gga s ASN 98 Ca 0.13 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 3gga s ASN 98 Cb -0.12 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.47 3gga s ASN 98 CO 0.02 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.80