#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 2.65 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.02 3gga s GLN 2 Ca 0.00 -0.78 -0.02 0.00 0.05 0.00 0.00 55.36 54.60 3gga s GLN 2 Cb 0.00 -2.44 -0.00 0.00 1.10 0.00 0.00 33.01 31.67 3gga s GLN 2 CO 0.00 -0.26 -0.10 0.42 -0.55 0.00 0.00 175.29 174.80 3gga s ILE 3 N 1.35 2.96 0.78 -2.34 1.01 -1.26 -5.11 121.20 118.58 3gga s ILE 3 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 3gga s ILE 3 Cb -0.14 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.08 3gga s ILE 3 CO -0.11 0.46 1.14 0.42 0.00 0.00 0.00 174.94 176.85 3gga s THR 4 N 1.34 2.32 -0.60 2.92 -4.23 -1.26 -5.02 115.64 111.11 3gga s THR 4 Ca 0.04 0.05 0.14 0.00 -1.18 0.00 0.00 61.69 60.74 3gga s THR 4 Cb -0.14 -3.09 0.43 0.00 1.34 0.00 0.00 72.50 71.04 3gga s THR 4 CO -0.05 -0.12 1.35 0.18 -0.54 0.00 0.00 174.62 175.44 3gga n LEU 5 N -3.21 3.47 0.24 4.79 4.77 -1.26 -4.53 117.00 121.28 3gga n LEU 5 Ca 0.08 -2.48 0.11 0.00 -0.03 0.00 0.00 56.01 53.68 3gga n LEU 5 Cb 0.60 -0.39 0.58 0.00 -2.33 0.00 0.00 43.42 41.88 3gga n LEU 5 CO 0.56 0.71 0.88 -0.50 -1.33 0.00 0.00 177.39 177.71 3gga h TRP 6 N 2.04 0.00 -2.19 -1.77 4.06 -2.06 -3.43 115.95 112.61 3gga h TRP 6 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 3gga h TRP 6 Cb 1.10 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.12 3gga h TRP 6 CO 0.38 0.19 -0.66 -0.65 -3.56 0.00 0.00 178.44 174.14 3gga s GLN 7 N -3.95 1.74 0.19 0.49 -0.21 -1.26 -5.11 119.66 111.55 3gga s GLN 7 Ca -0.01 -1.91 -0.33 0.00 0.02 0.00 0.00 55.36 53.12 3gga s GLN 7 Cb 0.12 -1.46 -0.13 0.00 1.00 0.00 0.00 33.01 32.53 3gga s GLN 7 CO 0.62 0.06 1.59 0.54 -2.12 0.00 0.00 175.29 175.97 3gga n ARG 8 N -0.74 2.30 -2.21 2.91 1.74 -1.26 -4.87 116.66 114.52 3gga n ARG 8 Ca -0.05 0.83 -0.32 0.00 -0.77 0.00 0.00 57.85 57.54 3gga n ARG 8 Cb 0.64 -2.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.44 3gga n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gga s PRO 9 N 0.70 2.91 -0.22 5.56 0.04 -1.26 -4.93 135.00 137.80 3gga s PRO 9 Ca 0.76 -1.28 -0.14 0.00 0.04 0.00 0.00 61.00 60.37 3gga s PRO 9 Cb -0.63 -5.30 -0.04 0.00 0.04 0.00 0.00 34.50 28.57 3gga s PRO 9 CO 0.39 -3.44 0.32 -0.51 0.04 0.00 0.00 177.00 173.80 3gga s LEU 10 N 9.04 4.13 0.32 -3.56 1.43 -1.26 -1.18 118.68 127.60 3gga s LEU 10 Ca 0.64 0.36 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 3gga s LEU 10 Cb -0.00 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 3gga s LEU 10 CO 0.10 -0.05 -0.01 0.68 0.23 0.00 0.00 176.35 177.30 3gga s VAL 11 N 1.34 1.63 0.01 -1.59 -7.23 -0.19 -4.95 120.40 109.42 3gga s VAL 11 Ca 0.15 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 3gga s VAL 11 Cb -0.14 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 3gga s VAL 11 CO 0.07 -0.14 0.72 -0.89 -0.31 0.00 0.00 175.10 174.55 3gga s THR 12 N -3.00 4.84 0.14 5.32 2.01 -1.26 -1.12 115.64 122.57 3gga s THR 12 Ca 0.33 1.51 0.10 0.00 0.31 0.00 0.00 61.69 63.95 3gga s THR 12 Cb 0.06 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3gga s THR 12 CO 0.15 0.35 -0.23 0.27 -0.69 0.00 0.00 174.62 174.46 3gga s ILE 13 N 0.10 2.47 -0.19 1.82 -4.36 0.17 -1.20 121.20 120.01 3gga s ILE 13 Ca 0.37 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 3gga s ILE 13 Cb -0.19 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.41 3gga s ILE 13 CO 0.21 0.04 -0.18 -0.75 0.24 0.00 0.00 174.94 174.49 3gga s LYS 14 N -2.25 2.85 -0.07 0.37 2.20 0.41 -0.79 119.74 122.46 3gga s LYS 14 Ca 0.17 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 3gga s LYS 14 Cb -0.10 -2.57 0.02 0.00 -1.51 0.00 0.00 37.83 33.67 3gga s LYS 14 CO 0.08 -0.25 0.18 -1.50 -0.36 0.00 0.00 175.35 173.49 3gga s ILE 15 N 1.28 -0.01 -1.25 5.43 2.07 -0.59 -0.52 121.20 127.61 3gga s ILE 15 Ca 0.03 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 3gga s ILE 15 Cb -0.14 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.19 3gga s ILE 15 CO -0.12 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.54 3gga n GLY 16 N 3.35 -0.31 1.54 1.50 0.00 -1.26 -0.64 105.19 109.37 3gga n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.79 0.56 3.19 -0.02 0.00 -1.26 -5.07 105.19 101.80 3gga n GLY 17 Ca -0.17 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.96 1.30 -0.25 1.61 -0.21 0.19 -5.12 119.66 116.21 3gga s GLN 18 Ca 0.00 -0.76 -0.23 0.00 0.02 0.00 0.00 55.36 54.40 3gga s GLN 18 Cb 0.00 -1.32 -0.01 0.00 1.00 0.00 0.00 33.01 32.68 3gga s GLN 18 CO 0.00 0.35 0.74 -0.51 -2.12 0.00 0.00 175.29 173.74 3gga s LEU 19 N -0.82 4.07 0.20 2.90 1.43 -1.26 -1.54 118.68 123.66 3gga s LEU 19 Ca 0.06 0.89 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 3gga s LEU 19 Cb -0.08 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 3gga s LEU 19 CO 0.01 -0.45 -0.06 -0.54 0.23 0.00 0.00 176.35 175.54 3gga s LYS 20 N 2.68 1.25 -0.12 1.70 1.02 0.03 -4.99 119.74 121.31 3gga s LYS 20 Ca 0.31 -1.59 -0.05 0.00 0.02 0.00 0.00 55.97 54.66 3gga s LYS 20 Cb -0.15 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.42 3gga s LYS 20 CO 0.08 0.00 0.06 -2.00 -0.92 0.00 0.00 175.35 172.57 3gga s GLU 21 N -3.79 3.32 0.04 1.68 2.12 -1.26 0.45 118.70 121.26 3gga s GLU 21 Ca 0.24 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.25 3gga s GLU 21 Cb 0.04 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 3gga s GLU 21 CO 0.06 0.64 -0.03 0.00 -0.54 0.00 0.00 175.26 175.39 3gga s ALA 22 N -0.69 0.44 -0.14 6.30 0.00 -0.27 -4.50 121.76 122.89 3gga s ALA 22 Ca 0.12 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3gga s ALA 22 Cb -0.12 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 3gga s ALA 22 CO 0.02 -0.31 0.23 -1.17 0.00 0.00 0.00 175.76 174.54 3gga s LEU 23 N -2.56 4.30 -0.48 0.00 2.96 0.31 -1.02 118.68 122.18 3gga s LEU 23 Ca 0.01 0.49 -0.26 0.00 -0.22 0.00 0.00 54.13 54.15 3gga s LEU 23 Cb 0.03 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.49 3gga s LEU 23 CO -0.07 0.21 0.98 -0.76 -1.32 0.00 0.00 176.35 175.39 3gga s LEU 24 N -0.08 3.92 -0.33 -0.68 1.43 -0.32 -0.32 118.68 122.31 3gga s LEU 24 Ca 0.15 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3gga s LEU 24 Cb -0.13 -3.22 0.10 0.00 0.03 0.00 0.00 46.19 42.98 3gga s LEU 24 CO 0.04 -1.13 0.08 -0.62 0.23 0.00 0.00 176.35 174.95 3gga s ASP 25 N 2.40 4.30 0.44 2.29 2.15 -0.61 -4.80 116.67 122.84 3gga s ASP 25 Ca 0.39 -1.86 0.31 0.00 0.43 0.00 0.00 52.55 51.81 3gga s ASP 25 Cb -0.10 -1.16 1.41 0.00 -0.30 0.00 0.00 42.92 42.77 3gga s ASP 25 CO 0.27 -0.40 1.92 0.71 -0.17 0.00 0.00 175.17 177.49 3gga h THR 26 N 6.50 0.00 -0.07 1.71 1.35 -1.95 -2.71 112.91 117.74 3gga h THR 26 Ca -0.10 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3gga h THR 26 Cb 1.01 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3gga h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3gga n GLY 27 N -0.39 0.23 3.51 5.82 0.00 -1.26 -4.83 105.19 108.28 3gga n GLY 27 Ca 0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.92 2.98 0.22 4.61 0.00 -1.02 -5.00 121.76 121.63 3gga s ALA 28 Ca 0.36 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 3gga s ALA 28 Cb 0.20 -1.45 0.19 0.00 0.00 0.00 0.00 23.12 22.06 3gga s ALA 28 CO 0.31 0.31 1.55 -0.44 0.00 0.00 0.00 175.76 177.49 3gga h ASP 29 N 6.32 0.50 -2.75 0.00 3.32 -1.88 -1.69 116.42 120.26 3gga h ASP 29 Ca -0.35 -0.26 -0.63 0.00 0.02 0.00 0.00 57.03 55.81 3gga h ASP 29 Cb 1.19 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.43 3gga h ASP 29 CO 0.60 0.93 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.45 3gga s ASP 30 N -6.90 3.46 -0.23 6.45 1.01 -1.26 -3.22 116.67 115.99 3gga s ASP 30 Ca -0.06 -0.95 -0.18 0.00 0.71 0.00 0.00 52.55 52.07 3gga s ASP 30 Cb 0.12 -0.27 -0.03 0.00 1.01 0.00 0.00 42.92 43.75 3gga s ASP 30 CO 0.82 0.07 0.51 -0.89 0.21 0.00 0.00 175.17 175.90 3gga s THR 31 N -2.10 5.09 -0.07 -1.27 2.01 -1.26 -3.46 115.64 114.59 3gga s THR 31 Ca 0.25 0.91 0.02 0.00 0.31 0.00 0.00 61.69 63.17 3gga s THR 31 Cb -0.06 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.63 3gga s THR 31 CO 0.12 0.14 -0.10 0.54 -0.69 0.00 0.00 174.62 174.63 3gga s VAL 32 N 1.95 0.99 0.28 3.82 0.11 -0.49 -0.17 120.40 126.88 3gga s VAL 32 Ca 0.22 -0.37 0.12 0.00 -2.93 0.00 0.00 61.98 59.02 3gga s VAL 32 Cb -0.15 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 3gga s VAL 32 CO 0.09 0.33 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.25 3gga s LEU 33 N 0.87 2.63 0.83 2.54 1.43 0.91 -0.87 118.68 127.03 3gga s LEU 33 Ca -0.11 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 3gga s LEU 33 Cb -0.15 -1.13 0.09 0.00 0.03 0.00 0.00 46.19 45.03 3gga s LEU 33 CO 0.01 0.03 1.10 -1.61 0.23 0.00 0.00 176.35 176.11 3gga s GLU 34 N -3.53 1.79 -0.25 1.70 2.02 -1.26 -2.03 118.70 117.15 3gga s GLU 34 Ca 0.30 0.61 -0.43 0.00 0.02 0.00 0.00 54.97 55.47 3gga s GLU 34 Cb -0.05 -1.89 -0.20 0.00 0.10 0.00 0.00 34.13 32.10 3gga s GLU 34 CO 0.15 -1.82 1.32 0.39 0.02 0.00 0.00 175.26 175.33 3gga n GLU 35 N -3.56 0.00 -3.54 1.61 -0.58 -1.23 -4.66 120.64 108.68 3gga n GLU 35 Ca 0.07 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.72 3gga n GLU 35 Cb 0.57 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.93 3gga n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gga s MET 36 N 1.50 1.07 -0.00 3.49 0.23 -1.26 -5.07 119.30 119.26 3gga s MET 36 Ca 0.97 -0.45 -0.25 0.00 -1.03 0.00 0.00 55.69 54.93 3gga s MET 36 Cb -1.37 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 32.35 3gga s MET 36 CO 0.69 -0.48 0.78 0.45 -2.03 0.00 0.00 175.02 174.44 3gga s SER 37 N -2.66 7.16 0.07 -1.18 0.15 -1.26 -5.07 113.70 110.91 3gga s SER 37 Ca 0.05 1.40 0.05 0.00 0.70 0.00 0.00 55.95 58.14 3gga s SER 37 Cb -0.01 -2.47 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3gga s SER 37 CO -0.08 -0.08 -0.13 -0.76 1.20 0.00 0.00 173.24 173.39 3gga s LEU 38 N 0.45 2.29 0.68 3.45 1.43 -1.26 -4.90 118.68 120.82 3gga s LEU 38 Ca 0.41 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3gga s LEU 38 Cb -0.20 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.58 3gga s LEU 38 CO 0.22 -0.11 1.06 -2.16 0.23 0.00 0.00 176.35 175.59 3gga s PRO 39 N -1.81 2.97 0.87 1.29 0.04 -1.26 -4.96 135.00 132.15 3gga s PRO 39 Ca -0.03 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.02 3gga s PRO 39 Cb -0.09 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3gga s PRO 39 CO 0.02 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3gga n GLY 40 N -1.78 -1.96 3.90 0.56 0.00 -1.26 -4.95 105.19 99.70 3gga n GLY 40 Ca 0.08 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 3gga n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gga s ARG 41 N 0.00 3.66 0.17 1.61 0.52 -1.26 -5.11 118.95 118.55 3gga s ARG 41 Ca 0.00 0.12 0.07 0.00 -0.52 0.00 0.00 55.73 55.40 3gga s ARG 41 Cb 0.00 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3gga s ARG 41 CO 0.00 0.14 -0.14 1.67 0.02 0.00 0.00 175.30 176.99 3gga s TRP 42 N -2.18 1.56 0.21 -0.53 1.48 -1.26 -4.56 118.94 113.65 3gga s TRP 42 Ca 0.46 -0.61 0.10 0.00 -1.06 0.00 0.00 56.10 54.99 3gga s TRP 42 Cb -0.11 -0.75 -0.05 0.00 -1.16 0.00 0.00 33.47 31.41 3gga s TRP 42 CO 0.31 0.25 -0.21 0.15 -4.06 0.00 0.00 176.95 173.40 3gga s LYS 43 N -3.47 1.47 0.54 3.25 1.02 -0.67 -4.92 119.74 116.96 3gga s LYS 43 Ca 0.18 -1.56 -0.16 0.00 0.02 0.00 0.00 55.97 54.46 3gga s LYS 43 Cb -0.01 -1.62 -0.07 0.00 -0.52 0.00 0.00 37.83 35.61 3gga s LYS 43 CO 0.05 0.33 0.99 -1.25 -0.92 0.00 0.00 175.35 174.55 3gga s PRO 44 N -2.99 3.87 -0.20 -1.68 0.04 -1.26 -0.22 135.00 132.56 3gga s PRO 44 Ca 0.22 0.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 3gga s PRO 44 Cb -0.06 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.41 3gga s PRO 44 CO 0.10 -0.33 0.54 0.21 0.04 0.00 0.00 177.00 177.55 3gga s LYS 45 N -4.27 0.62 -0.24 4.56 2.20 -1.09 -4.80 119.74 116.72 3gga s LYS 45 Ca 0.58 0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 56.86 3gga s LYS 45 Cb -0.10 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 3gga s LYS 45 CO 0.36 -0.08 0.12 1.41 -0.36 0.00 0.00 175.35 176.80 3gga s MET 46 N 0.35 3.91 0.18 4.03 -2.45 -1.26 -1.65 119.30 122.41 3gga s MET 46 Ca -0.01 -0.35 0.10 0.00 -1.25 0.00 0.00 55.69 54.18 3gga s MET 46 Cb -0.04 -3.45 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 3gga s MET 46 CO -0.00 -0.02 -0.16 0.96 1.05 0.00 0.00 175.02 176.84 3gga s ILE 47 N 1.24 2.82 0.02 10.11 -4.36 -1.01 -5.00 121.20 125.03 3gga s ILE 47 Ca 0.06 -1.80 0.04 0.00 -0.26 0.00 0.00 60.65 58.68 3gga s ILE 47 Cb -0.14 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 3gga s ILE 47 CO 0.05 -0.10 -0.11 -0.83 0.24 0.00 0.00 174.94 174.19 3gga s GLY 48 N -2.72 0.60 0.00 6.27 0.00 -1.26 -1.60 107.32 108.61 3gga s GLY 48 Ca 0.23 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3gga s GLY 48 CO 0.13 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.20 3gga n GLY 49 N 2.15 5.29 3.74 0.20 0.00 -0.59 -5.01 105.19 110.96 3gga n GLY 49 Ca -0.17 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 3gga n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gga s ILE 50 N 1.33 4.29 0.00 -0.61 1.01 -1.26 -3.35 121.20 122.61 3gga s ILE 50 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.67 3gga s ILE 50 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3gga s ILE 50 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3gga n GLY 51 N 1.99 1.04 0.00 6.18 0.00 -1.26 -4.94 105.19 108.20 3gga n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.26 3.49 -0.02 0.00 -1.21 -5.08 105.19 100.63 3gga n GLY 52 Ca 0.00 -2.00 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.30 2.42 0.05 1.61 0.40 -1.26 -1.54 117.98 119.36 3gga s PHE 53 Ca 0.00 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 3gga s PHE 53 Cb 0.00 -1.17 -0.02 0.00 0.51 0.00 0.00 43.02 42.34 3gga s PHE 53 CO 0.00 0.54 -0.09 0.96 0.70 0.00 0.00 175.22 177.33 3gga s ILE 54 N -1.83 0.69 -0.05 0.64 -4.36 -0.63 -5.00 121.20 110.65 3gga s ILE 54 Ca 0.24 -1.10 -0.25 0.00 -0.26 0.00 0.00 60.65 59.28 3gga s ILE 54 Cb -0.08 -0.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.88 3gga s ILE 54 CO 0.13 -0.32 0.76 -0.54 0.24 0.00 0.00 174.94 175.21 3gga s LYS 55 N -1.55 4.47 0.26 0.37 1.02 -1.26 -2.41 119.74 120.64 3gga s LYS 55 Ca -0.07 1.00 0.05 0.00 0.02 0.00 0.00 55.97 56.97 3gga s LYS 55 Cb -0.10 -3.45 -0.06 0.00 -0.52 0.00 0.00 37.83 33.71 3gga s LYS 55 CO 0.01 0.04 -0.04 0.14 -0.92 0.00 0.00 175.35 174.59 3gga s VAL 56 N 0.83 1.41 -0.31 3.17 -7.23 -0.66 -4.47 120.40 113.13 3gga s VAL 56 Ca 0.41 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 3gga s VAL 56 Cb -0.18 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3gga s VAL 56 CO 0.20 -0.31 0.20 -0.13 -0.31 0.00 0.00 175.10 174.76 3gga s ARG 57 N -3.78 3.63 -0.37 4.82 0.52 0.08 -2.67 118.95 121.17 3gga s ARG 57 Ca 0.29 -0.54 -0.24 0.00 -0.52 0.00 0.00 55.73 54.72 3gga s ARG 57 Cb 0.05 -3.70 0.01 0.00 0.52 0.00 0.00 34.95 31.83 3gga s ARG 57 CO 0.11 -0.34 0.80 -1.14 0.02 0.00 0.00 175.30 174.75 3gga s GLN 58 N 1.71 3.73 -0.13 3.54 0.74 0.69 -1.14 119.66 128.81 3gga s GLN 58 Ca 0.06 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.74 3gga s GLN 58 Cb -0.17 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.09 3gga s GLN 58 CO 0.10 -0.89 0.01 0.71 -0.55 0.00 0.00 175.29 174.67 3gga s TYR 59 N 3.17 3.15 0.12 1.67 1.51 -0.07 -1.67 117.35 125.23 3gga s TYR 59 Ca 0.32 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 3gga s TYR 59 Cb -0.13 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 3gga s TYR 59 CO 0.18 0.25 0.21 -0.51 -1.11 0.00 0.00 175.55 174.57 3gga s ASP 60 N -0.23 6.12 -1.22 2.29 1.01 -1.26 -1.15 116.67 122.23 3gga s ASP 60 Ca 0.06 0.13 -0.16 0.00 0.71 0.00 0.00 52.55 53.29 3gga s ASP 60 Cb -0.12 -1.80 -0.00 0.00 1.01 0.00 0.00 42.92 42.00 3gga s ASP 60 CO 0.02 0.10 0.68 0.00 0.21 0.00 0.00 175.17 176.18 3gga n GLN 61 N -0.15 -1.82 -3.82 8.23 3.00 -0.85 -4.91 117.38 117.06 3gga n GLN 61 Ca -0.07 0.42 -0.37 0.00 -0.01 0.00 0.00 57.00 56.97 3gga n GLN 61 Cb 0.53 -4.14 -0.06 0.00 0.00 0.00 0.00 30.24 26.57 3gga n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gga s ILE 62 N -3.61 5.43 -0.24 5.09 -1.09 0.88 -4.69 121.20 122.98 3gga s ILE 62 Ca 0.33 0.30 -0.26 0.00 -2.23 0.00 0.00 60.65 58.80 3gga s ILE 62 Cb -0.13 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3gga s ILE 62 CO 0.88 0.61 0.90 -0.22 -1.23 0.00 0.00 174.94 175.87 3gga s LEU 63 N -0.98 4.09 0.04 2.97 2.96 -1.26 -1.70 118.68 124.79 3gga s LEU 63 Ca 0.16 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 55.28 3gga s LEU 63 Cb -0.13 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 3gga s LEU 63 CO 0.05 -0.57 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.70 3gga s ILE 64 N 2.97 1.42 -0.24 6.68 1.01 0.11 -4.22 121.20 128.93 3gga s ILE 64 Ca 0.38 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3gga s ILE 64 Cb -0.15 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3gga s ILE 64 CO 0.07 0.15 0.05 -0.70 0.00 0.00 0.00 174.94 174.51 3gga s GLU 65 N -1.08 3.61 -0.33 2.79 2.12 0.32 0.66 118.70 126.79 3gga s GLU 65 Ca 0.05 -0.50 -0.04 0.00 0.36 0.00 0.00 54.97 54.84 3gga s GLU 65 Cb -0.08 -3.26 0.06 0.00 0.26 0.00 0.00 34.13 31.11 3gga s GLU 65 CO 0.01 -0.18 0.07 0.42 -0.54 0.00 0.00 175.26 175.05 3gga s ILE 66 N 1.55 3.31 -1.31 -3.70 1.01 0.13 -0.44 121.20 121.75 3gga s ILE 66 Ca 0.06 -1.41 -0.08 0.00 0.00 0.00 0.00 60.65 59.22 3gga s ILE 66 Cb -0.15 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.37 3gga s ILE 66 CO 0.02 -0.23 0.55 0.00 0.00 0.00 0.00 174.94 175.29 3gga n GLY 68 N -1.88 0.36 3.17 0.00 0.00 -1.26 -4.98 105.19 100.60 3gga n GLY 68 Ca -0.24 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.72 2.58 -0.11 1.61 4.02 -0.09 -5.10 115.29 116.48 3gga s HIS 69 Ca 0.00 -1.24 -0.27 0.00 1.02 0.00 0.00 55.06 54.57 3gga s HIS 69 Cb 0.00 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.58 29.79 3gga s HIS 69 CO 0.00 -0.56 0.87 0.15 1.02 0.00 0.00 174.74 176.22 3gga s LYS 70 N 0.72 4.40 0.04 1.40 1.02 -1.26 0.22 119.74 126.28 3gga s LYS 70 Ca -0.10 1.14 0.06 0.00 0.02 0.00 0.00 55.97 57.09 3gga s LYS 70 Cb -0.16 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 3gga s LYS 70 CO 0.01 -0.20 -0.17 0.00 -0.92 0.00 0.00 175.35 174.06 3gga s ALA 71 N 1.66 1.47 -0.10 5.17 0.00 0.21 -4.87 121.76 125.30 3gga s ALA 71 Ca 0.42 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3gga s ALA 71 Cb -0.18 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.70 3gga s ALA 71 CO 0.17 0.31 -0.05 0.42 0.00 0.00 0.00 175.76 176.62 3gga s ILE 72 N -0.82 0.80 0.00 0.00 1.01 -1.25 0.06 121.20 120.99 3gga s ILE 72 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3gga s ILE 72 Cb -0.08 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3gga s ILE 72 CO 0.02 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.87 3gga n GLY 73 N 5.01 1.12 3.71 6.18 0.00 -0.69 -4.79 105.19 115.73 3gga n GLY 73 Ca -0.10 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.30 5.14 -0.05 2.61 2.01 -1.26 -0.08 115.64 122.70 3gga s THR 74 Ca 0.00 1.06 0.05 0.00 0.31 0.00 0.00 61.69 63.10 3gga s THR 74 Cb 0.00 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 3gga s THR 74 CO 0.00 0.28 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.33 3gga s VAL 75 N 0.87 1.61 -0.10 3.82 1.01 -0.30 -4.42 120.40 122.89 3gga s VAL 75 Ca 0.28 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 3gga s VAL 75 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3gga s VAL 75 CO 0.12 0.46 0.11 -0.76 0.00 0.00 0.00 175.10 175.02 3gga s LEU 76 N 0.08 4.19 -0.09 3.92 1.43 0.76 -0.89 118.68 128.07 3gga s LEU 76 Ca -0.06 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3gga s LEU 76 Cb -0.13 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3gga s LEU 76 CO 0.03 0.39 -0.09 -0.69 0.23 0.00 0.00 176.35 176.22 3gga s VAL 77 N -1.01 1.06 0.00 -1.59 1.01 -0.29 -0.06 120.40 119.52 3gga s VAL 77 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3gga s VAL 77 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3gga s VAL 77 CO 0.04 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3gga n GLY 78 N 4.49 1.26 3.24 4.51 0.00 -0.86 -0.74 105.19 117.10 3gga n GLY 78 Ca -0.17 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 2.91 -4.14 1.61 -0.04 -1.26 -3.56 135.00 130.51 3gga n PRO 79 Ca 0.00 -2.92 -0.35 0.00 -0.04 0.00 0.00 63.50 60.19 3gga n PRO 79 Cb 0.00 -3.41 -0.09 0.00 -0.04 0.00 0.00 33.50 29.96 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 4.27 4.75 0.51 0.52 -1.32 -1.26 -5.01 115.64 118.10 3gga s THR 80 Ca 0.52 -0.07 0.22 0.00 -1.21 0.00 0.00 61.69 61.16 3gga s THR 80 Cb 0.08 -3.07 0.28 0.00 -1.51 0.00 0.00 72.50 68.29 3gga s THR 80 CO 0.02 0.56 2.14 1.55 -2.21 0.00 0.00 174.62 176.69 3gga h PRO 81 N 5.62 0.00 -3.39 7.08 0.13 -1.98 -3.42 132.00 136.04 3gga h PRO 81 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 3gga h PRO 81 Cb 1.19 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 3gga h PRO 81 CO 0.60 0.06 -0.60 0.54 -0.23 0.00 0.00 178.00 178.37 3gga s VAL 82 N -4.69 -0.02 0.16 1.56 0.11 -1.26 -5.05 120.40 111.20 3gga s VAL 82 Ca -0.04 0.07 -0.32 0.00 -2.93 0.00 0.00 61.98 58.76 3gga s VAL 82 Cb 0.15 -0.19 -0.11 0.00 -1.53 0.00 0.00 36.38 34.70 3gga s VAL 82 CO 0.62 0.03 1.78 0.59 -3.33 0.00 0.00 175.10 174.79 3gga n ASN 83 N 3.48 3.96 -3.92 3.54 3.02 -1.26 -4.78 115.26 119.31 3gga n ASN 83 Ca -0.18 1.02 -0.28 0.00 -0.03 0.00 0.00 54.58 55.12 3gga n ASN 83 Cb 0.56 -1.55 -0.17 0.00 -0.61 0.00 0.00 39.78 38.02 3gga n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gga s ILE 84 N 2.02 1.12 -0.37 2.41 1.01 -0.05 -0.53 121.20 126.81 3gga s ILE 84 Ca 0.79 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 3gga s ILE 84 Cb -0.51 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 40.80 3gga s ILE 84 CO 0.36 0.32 0.47 -0.63 0.00 0.00 0.00 174.94 175.45 3gga s ILE 85 N 1.66 5.05 0.53 2.92 -1.09 0.57 -1.40 121.20 129.44 3gga s ILE 85 Ca 0.04 0.12 -0.00 0.00 -2.23 0.00 0.00 60.65 58.57 3gga s ILE 85 Cb -0.13 -3.96 0.11 0.00 -1.58 0.00 0.00 42.46 36.89 3gga s ILE 85 CO -0.08 -0.25 0.73 0.61 -1.23 0.00 0.00 174.94 174.71 3gga n GLY 86 N 4.91 0.66 0.27 6.18 0.00 -1.22 -1.58 105.19 114.41 3gga n GLY 86 Ca -0.06 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 43.97 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 0.41 -0.90 1.61 3.08 -1.36 -1.71 114.38 115.51 3gga h ARG 87 Ca -0.24 -0.07 0.17 0.00 0.07 0.00 0.00 59.98 59.91 3gga h ARG 87 Cb 0.89 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 3gga h ARG 87 CO 0.26 0.42 0.58 -2.95 -1.07 0.00 0.00 179.97 177.21 3gga h ASN 88 N 0.40 0.56 0.03 7.04 -1.07 -1.83 -1.63 115.58 119.08 3gga h ASN 88 Ca 0.09 0.05 -0.21 0.00 0.07 0.00 0.00 56.30 56.30 3gga h ASN 88 Cb 0.23 -0.06 -0.04 0.00 -2.07 0.00 0.00 38.32 36.38 3gga h ASN 88 CO 0.00 0.25 -2.19 0.18 0.07 0.00 0.00 177.43 175.74 3gga n LEU 89 N -4.56 0.04 -0.11 6.14 4.77 -1.00 -4.13 117.00 118.15 3gga n LEU 89 Ca 0.19 0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 3gga n LEU 89 Cb 0.58 0.28 0.25 0.00 -2.33 0.00 0.00 43.42 42.20 3gga n LEU 89 CO 0.29 0.28 1.06 -0.07 -1.33 0.00 0.00 177.39 177.62 3gga h LEU 90 N 0.00 0.70 -0.56 2.23 3.38 -0.85 -2.23 115.31 117.99 3gga h LEU 90 Ca -0.31 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3gga h LEU 90 Cb 1.72 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 3gga h LEU 90 CO 0.02 0.64 0.05 0.71 0.09 0.00 0.00 178.44 179.94 3gga h THR 91 N 0.76 1.26 -0.08 0.22 1.35 -1.51 -0.38 112.91 114.53 3gga h THR 91 Ca 0.18 -1.04 0.02 0.00 -0.55 0.00 0.00 66.41 65.03 3gga h THR 91 Cb 0.16 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3gga h THR 91 CO -0.02 0.37 0.09 1.56 -0.25 0.00 0.00 175.52 177.28 3gga h GLN 92 N 0.84 0.00 -0.51 4.72 4.20 -1.57 0.09 115.11 122.88 3gga h GLN 92 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3gga h GLN 92 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3gga h GLN 92 CO 0.02 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.62 3gga n ILE 93 N -3.87 0.82 -3.16 2.54 -5.35 -1.05 -4.95 119.36 104.35 3gga n ILE 93 Ca -0.01 -0.91 -0.15 0.00 -0.27 0.00 0.00 62.75 61.41 3gga n ILE 93 Cb 0.19 0.66 0.06 0.00 -1.74 0.00 0.00 39.64 38.81 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 1.27 -0.08 3.75 3.28 0.00 0.02 -5.00 105.19 108.42 3gga n GLY 94 Ca 0.19 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 0.08 0.97 -0.18 0.00 -4.23 -1.26 -4.67 115.64 106.35 3gga s THR 96 Ca 0.32 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 59.19 3gga s THR 96 Cb -0.18 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 3gga s THR 96 CO 0.17 -0.44 0.37 -0.22 -0.54 0.00 0.00 174.62 173.96 3gga s LEU 97 N -2.16 4.20 0.01 4.79 2.96 -1.26 -5.09 118.68 122.13 3gga s LEU 97 Ca 0.02 0.54 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 3gga s LEU 97 Cb -0.06 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 3gga s LEU 97 CO 0.01 -0.01 -0.14 0.20 -1.32 0.00 0.00 176.35 175.09 3gga s ASN 98 N 0.82 1.62 0.00 3.68 -0.87 -1.26 -5.31 114.94 113.63 3gga s ASN 98 Ca 0.19 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 3gga s ASN 98 Cb -0.14 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 3gga s ASN 98 CO 0.07 0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.94