#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 3.16 -0.26 0.54 0.74 -1.26 -5.07 119.66 117.50 3gga s GLN 2 Ca 0.00 -0.80 -0.09 0.00 0.05 0.00 0.00 55.36 54.51 3gga s GLN 2 Cb 0.00 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 3gga s GLN 2 CO 0.00 -0.39 0.13 0.42 -0.55 0.00 0.00 175.29 174.91 3gga s ILE 3 N 1.49 4.88 0.73 -2.34 1.01 -1.26 -5.09 121.20 120.61 3gga s ILE 3 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 3gga s ILE 3 Cb -0.17 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.05 3gga s ILE 3 CO 0.01 0.30 1.08 0.42 0.00 0.00 0.00 174.94 176.75 3gga s THR 4 N 1.63 2.72 -0.17 2.92 -4.23 -1.26 -5.04 115.64 112.21 3gga s THR 4 Ca 0.07 0.07 0.14 0.00 -1.18 0.00 0.00 61.69 60.79 3gga s THR 4 Cb -0.15 -3.20 0.28 0.00 1.34 0.00 0.00 72.50 70.76 3gga s THR 4 CO 0.07 -0.24 1.18 0.18 -0.54 0.00 0.00 174.62 175.27 3gga n LEU 5 N -3.04 2.60 -0.27 4.79 4.77 -1.26 -4.53 117.00 120.06 3gga n LEU 5 Ca 0.07 -2.77 -0.05 0.00 -0.03 0.00 0.00 56.01 53.23 3gga n LEU 5 Cb 0.59 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3gga n LEU 5 CO 0.55 0.66 1.18 -0.50 -1.33 0.00 0.00 177.39 177.96 3gga h TRP 6 N 0.48 0.95 -1.70 -1.77 4.06 -2.06 -3.43 115.95 112.48 3gga h TRP 6 Ca 0.00 0.02 -0.47 0.00 2.06 0.00 0.00 58.89 60.50 3gga h TRP 6 Cb 0.96 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 3gga h TRP 6 CO 0.11 0.61 -0.37 -0.65 -3.56 0.00 0.00 178.44 174.58 3gga s GLN 7 N -6.11 2.82 0.30 0.49 -0.21 -1.26 -5.09 119.66 110.61 3gga s GLN 7 Ca -0.13 -1.25 -0.30 0.00 0.02 0.00 0.00 55.36 53.71 3gga s GLN 7 Cb 0.15 -2.61 -0.11 0.00 1.00 0.00 0.00 33.01 31.44 3gga s GLN 7 CO 0.78 -0.03 1.56 1.03 -2.12 0.00 0.00 175.29 176.51 3gga s ARG 8 N -4.13 4.13 -1.39 2.91 0.52 -1.26 -4.88 118.95 114.85 3gga s ARG 8 Ca 0.46 2.55 -0.14 0.00 -0.52 0.00 0.00 55.73 58.08 3gga s ARG 8 Cb -0.07 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 3gga s ARG 8 CO 0.29 -0.60 2.35 -0.35 0.02 0.00 0.00 175.30 177.01 3gga n PRO 9 N 1.94 2.83 -2.88 3.54 -0.04 -1.26 -4.93 135.00 134.21 3gga n PRO 9 Ca 0.07 -2.37 -0.41 0.00 -0.04 0.00 0.00 63.50 60.75 3gga n PRO 9 Cb 0.38 -3.10 -0.04 0.00 -0.04 0.00 0.00 33.50 30.70 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 1.54 4.34 0.26 1.53 1.43 -1.26 -2.11 118.68 124.41 3gga s LEU 10 Ca 0.53 1.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 3gga s LEU 10 Cb 0.15 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.98 3gga s LEU 10 CO -0.06 -0.19 0.01 0.68 0.23 0.00 0.00 176.35 177.03 3gga s VAL 11 N 0.93 1.09 -0.08 -1.59 -7.23 0.07 -4.95 120.40 108.65 3gga s VAL 11 Ca 0.45 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 3gga s VAL 11 Cb -0.19 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3gga s VAL 11 CO 0.23 -0.22 0.55 -0.89 -0.31 0.00 0.00 175.10 174.46 3gga s THR 12 N -3.38 5.09 0.28 5.32 2.01 -1.26 -0.22 115.64 123.48 3gga s THR 12 Ca 0.31 1.13 0.11 0.00 0.31 0.00 0.00 61.69 63.55 3gga s THR 12 Cb 0.06 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 3gga s THR 12 CO 0.11 0.34 -0.15 0.27 -0.69 0.00 0.00 174.62 174.50 3gga s ILE 13 N 0.41 2.71 -0.08 1.82 -4.36 0.97 -2.07 121.20 120.60 3gga s ILE 13 Ca 0.30 -2.28 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 3gga s ILE 13 Cb -0.16 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.11 3gga s ILE 13 CO 0.14 -0.39 -0.13 -0.75 0.24 0.00 0.00 174.94 174.06 3gga s LYS 14 N -3.56 1.82 -0.08 0.37 2.20 -0.23 -0.86 119.74 119.41 3gga s LYS 14 Ca 0.30 -0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.45 3gga s LYS 14 Cb -0.05 -1.54 0.04 0.00 -1.51 0.00 0.00 37.83 34.78 3gga s LYS 14 CO 0.16 -0.01 0.16 -1.50 -0.36 0.00 0.00 175.35 173.80 3gga s ILE 15 N 0.81 -0.11 -1.43 5.43 2.07 -0.77 -0.82 121.20 126.38 3gga s ILE 15 Ca -0.11 0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 59.32 3gga s ILE 15 Cb -0.15 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.18 3gga s ILE 15 CO 0.02 0.09 0.52 0.61 -1.91 0.00 0.00 174.94 174.27 3gga n GLY 16 N 4.51 -0.26 4.04 1.50 0.00 -1.26 -1.84 105.19 111.88 3gga n GLY 16 Ca -0.21 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.86 2.48 3.78 -0.02 0.00 -1.26 -4.98 105.19 103.32 3gga n GLY 17 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.63 -0.18 1.61 -0.21 -0.77 -5.05 119.66 119.69 3gga s GLN 18 Ca 0.00 1.34 -0.13 0.00 0.02 0.00 0.00 55.36 56.59 3gga s GLN 18 Cb 0.00 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 31.05 3gga s GLN 18 CO 0.00 0.34 0.27 -0.51 -2.12 0.00 0.00 175.29 173.28 3gga s LEU 19 N -1.84 4.21 0.12 2.90 1.43 -1.26 -1.85 118.68 122.38 3gga s LEU 19 Ca 0.48 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3gga s LEU 19 Cb -0.20 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3gga s LEU 19 CO 0.25 0.08 -0.08 -0.54 0.23 0.00 0.00 176.35 176.29 3gga s LYS 20 N 0.66 0.94 -0.13 1.70 1.02 -0.04 -4.99 119.74 118.91 3gga s LYS 20 Ca 0.15 -1.38 -0.08 0.00 0.02 0.00 0.00 55.97 54.67 3gga s LYS 20 Cb -0.13 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 3gga s LYS 20 CO 0.04 0.03 0.16 -2.00 -0.92 0.00 0.00 175.35 172.65 3gga s GLU 21 N -3.77 3.60 0.00 1.68 2.12 -1.26 -0.02 118.70 121.05 3gga s GLU 21 Ca 0.14 -0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 3gga s GLU 21 Cb 0.04 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 3gga s GLU 21 CO -0.02 0.69 0.11 0.00 -0.54 0.00 0.00 175.26 175.50 3gga s ALA 22 N -0.79 -0.26 -0.10 6.30 0.00 0.69 -4.50 121.76 123.10 3gga s ALA 22 Ca 0.15 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 3gga s ALA 22 Cb -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 3gga s ALA 22 CO 0.04 -0.20 0.46 -1.17 0.00 0.00 0.00 175.76 174.89 3gga s LEU 23 N -1.36 4.30 -0.45 0.00 2.96 0.11 -0.75 118.68 123.49 3gga s LEU 23 Ca -0.15 0.82 -0.23 0.00 -0.22 0.00 0.00 54.13 54.35 3gga s LEU 23 Cb -0.08 -2.66 0.03 0.00 0.50 0.00 0.00 46.19 43.98 3gga s LEU 23 CO 0.01 0.05 0.78 -0.76 -1.32 0.00 0.00 176.35 175.11 3gga s LEU 24 N 0.37 4.27 -0.37 -0.68 1.43 -0.90 -0.31 118.68 122.49 3gga s LEU 24 Ca 0.25 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3gga s LEU 24 Cb -0.15 -2.95 0.11 0.00 0.03 0.00 0.00 46.19 43.23 3gga s LEU 24 CO 0.10 -0.91 0.12 -0.62 0.23 0.00 0.00 176.35 175.27 3gga s ASP 25 N 2.13 4.39 0.45 2.29 2.15 -0.30 -4.82 116.67 122.97 3gga s ASP 25 Ca 0.29 -2.22 0.31 0.00 0.43 0.00 0.00 52.55 51.36 3gga s ASP 25 Cb -0.12 -1.38 1.43 0.00 -0.30 0.00 0.00 42.92 42.55 3gga s ASP 25 CO 0.22 -0.35 1.93 0.71 -0.17 0.00 0.00 175.17 177.51 3gga h THR 26 N 6.25 0.00 -0.39 1.71 1.35 -1.95 -2.38 112.91 117.50 3gga h THR 26 Ca -0.07 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3gga h THR 26 Cb 0.99 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3gga h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3gga n GLY 27 N -0.37 0.83 3.30 5.82 0.00 -1.26 -4.82 105.19 108.71 3gga n GLY 27 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.48 2.66 0.20 4.61 0.00 -0.89 -4.99 121.76 121.86 3gga s ALA 28 Ca 0.26 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 3gga s ALA 28 Cb 0.14 -1.42 0.12 0.00 0.00 0.00 0.00 23.12 21.96 3gga s ALA 28 CO 0.18 -0.14 1.73 -0.44 0.00 0.00 0.00 175.76 177.09 3gga h ASP 29 N 7.52 1.06 -1.75 0.00 5.19 -1.87 0.36 116.42 126.93 3gga h ASP 29 Ca -0.36 -0.22 -0.57 0.00 -0.62 0.00 0.00 57.03 55.27 3gga h ASP 29 Cb 1.18 -0.28 -0.09 0.00 0.18 0.00 0.00 39.33 40.32 3gga h ASP 29 CO 0.59 1.00 -0.55 -1.81 -3.12 0.00 0.00 179.24 175.35 3gga s ASP 30 N -6.40 4.38 -0.26 6.45 1.01 -1.26 -3.51 116.67 117.08 3gga s ASP 30 Ca -0.12 -1.00 -0.11 0.00 0.71 0.00 0.00 52.55 52.02 3gga s ASP 30 Cb 0.15 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 3gga s ASP 30 CO 0.84 -0.40 0.20 -0.89 0.21 0.00 0.00 175.17 175.13 3gga s THR 31 N -2.54 5.31 -0.12 -1.27 2.01 -1.26 -3.21 115.64 114.55 3gga s THR 31 Ca 0.38 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.62 3gga s THR 31 Cb 0.02 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 69.00 3gga s THR 31 CO 0.21 0.27 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 3gga s VAL 32 N 1.55 1.64 0.12 3.82 1.01 -0.27 -0.37 120.40 127.90 3gga s VAL 32 Ca 0.08 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3gga s VAL 32 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3gga s VAL 32 CO 0.09 0.47 -0.07 -0.76 0.00 0.00 0.00 175.10 174.82 3gga s LEU 33 N 1.05 3.12 0.60 3.92 1.43 0.18 0.52 118.68 129.50 3gga s LEU 33 Ca -0.04 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 3gga s LEU 33 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3gga s LEU 33 CO -0.03 0.15 1.08 -0.62 0.23 0.00 0.00 176.35 177.16 3gga n GLU 34 N 0.46 1.03 -1.57 1.70 1.02 -1.26 -2.97 120.64 119.06 3gga n GLU 34 Ca -0.12 0.40 -0.58 0.00 -0.02 0.00 0.00 57.16 56.83 3gga n GLU 34 Cb 0.53 -2.29 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 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 -1.19 0.38 -2.34 3.49 4.07 -1.14 -4.75 120.64 119.15 3gga n GLU 35 Ca 0.14 0.14 -0.01 0.00 -0.06 0.00 0.00 57.16 57.36 3gga n GLU 35 Cb 0.47 -1.69 0.01 0.00 -0.06 0.00 0.00 31.44 30.17 3gga n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gga n MET 36 N 2.36 0.26 -4.57 5.31 0.00 -1.26 -5.05 117.12 114.18 3gga n MET 36 Ca 0.21 -0.59 -0.31 0.00 0.00 0.00 0.00 57.70 57.02 3gga n MET 36 Cb 0.09 0.79 -0.12 0.00 0.00 0.00 0.00 33.22 33.98 3gga n MET 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3gga s SER 37 N -1.93 3.90 0.04 3.17 0.01 -1.26 -5.02 113.70 112.61 3gga s SER 37 Ca 0.09 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.92 3gga s SER 37 Cb -0.01 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 3gga s SER 37 CO 0.02 0.24 -0.03 -0.76 0.41 0.00 0.00 173.24 173.12 3gga s LEU 38 N -1.59 2.37 0.73 2.44 1.43 -1.26 -5.08 118.68 117.72 3gga s LEU 38 Ca 0.16 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3gga s LEU 38 Cb -0.11 0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.27 3gga s LEU 38 CO 0.07 -0.44 1.11 -2.16 0.23 0.00 0.00 176.35 175.16 3gga s PRO 39 N -2.73 2.65 0.00 1.29 0.04 -1.26 -4.98 135.00 130.01 3gga s PRO 39 Ca -0.04 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.37 3gga s PRO 39 Cb -0.01 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3gga s PRO 39 CO -0.05 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3gga n GLY 40 N -3.07 0.29 3.87 0.56 0.00 -1.26 -4.99 105.19 100.59 3gga n GLY 40 Ca 0.07 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 3gga n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gga s ARG 41 N -1.03 3.81 0.08 1.61 6.06 -1.26 -5.10 118.95 123.11 3gga s ARG 41 Ca 0.00 0.26 0.07 0.00 -2.50 0.00 0.00 55.73 53.56 3gga s ARG 41 Cb 0.00 -2.75 -0.03 0.00 0.06 0.00 0.00 34.95 32.23 3gga s ARG 41 CO 0.00 0.38 -0.20 1.67 -2.50 0.00 0.00 175.30 174.66 3gga s TRP 42 N -1.70 1.69 0.07 5.12 1.48 -1.26 -4.44 118.94 119.90 3gga s TRP 42 Ca 0.44 -0.40 -0.01 0.00 -1.06 0.00 0.00 56.10 55.06 3gga s TRP 42 Cb -0.12 -0.96 -0.04 0.00 -1.16 0.00 0.00 33.47 31.19 3gga s TRP 42 CO 0.21 0.14 0.24 0.15 -4.06 0.00 0.00 176.95 173.64 3gga s LYS 43 N -1.62 3.47 0.48 3.25 1.02 -0.80 -4.87 119.74 120.67 3gga s LYS 43 Ca 0.05 -0.37 -0.19 0.00 0.02 0.00 0.00 55.97 55.48 3gga s LYS 43 Cb -0.09 -3.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.12 3gga s LYS 43 CO 0.03 0.58 0.99 -1.25 -0.92 0.00 0.00 175.35 174.79 3gga s PRO 44 N -2.52 3.95 0.00 -1.68 0.04 -1.26 0.13 135.00 133.66 3gga s PRO 44 Ca 0.36 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 3gga s PRO 44 Cb -0.13 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.29 3gga s PRO 44 CO 0.27 -0.28 0.21 0.21 0.04 0.00 0.00 177.00 177.45 3gga s LYS 45 N -3.45 0.59 -0.21 4.56 2.20 0.03 -4.83 119.74 118.62 3gga s LYS 45 Ca 0.63 -0.37 -0.05 0.00 -0.36 0.00 0.00 55.97 55.82 3gga s LYS 45 Cb -0.12 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 3gga s LYS 45 CO 0.21 -0.16 -0.00 -1.64 -0.36 0.00 0.00 175.35 173.40 3gga s MET 46 N -1.59 3.56 -0.04 4.03 -1.94 -1.26 -0.76 119.30 121.29 3gga s MET 46 Ca -0.13 -0.54 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 3gga s MET 46 Cb -0.06 -3.10 -0.02 0.00 2.01 0.00 0.00 34.83 33.66 3gga s MET 46 CO 0.02 -0.08 -0.21 0.96 -0.01 0.00 0.00 175.02 175.70 3gga s ILE 47 N 1.24 2.48 -0.22 2.53 -4.36 -0.73 -4.95 121.20 117.19 3gga s ILE 47 Ca 0.03 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.40 3gga s ILE 47 Cb -0.15 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 3gga s ILE 47 CO 0.01 0.58 0.11 -0.83 0.24 0.00 0.00 174.94 175.05 3gga s GLY 48 N -0.50 1.94 0.00 6.27 0.00 -1.26 -1.40 107.32 112.37 3gga s GLY 48 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3gga s GLY 48 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.98 3gga n GLY 49 N 4.00 5.75 0.26 0.20 0.00 -0.16 -4.97 105.19 110.28 3gga n GLY 49 Ca -0.16 -1.95 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 1.26 -0.57 -0.61 6.09 -2.03 -3.16 117.51 118.48 3gga h ILE 50 Ca 0.00 -1.19 0.00 0.00 -1.37 0.00 0.00 64.86 62.30 3gga h ILE 50 Cb 0.00 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.46 3gga h ILE 50 CO 0.00 0.40 0.00 0.61 -3.07 0.00 0.00 178.15 176.09 3gga n GLY 51 N -0.43 2.70 0.00 8.18 0.00 -1.26 -5.08 105.19 109.31 3gga n GLY 51 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.10 0.43 3.87 -0.02 0.00 -1.20 -5.09 105.19 104.28 3gga n GLY 52 Ca 0.20 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.36 3.60 0.22 1.61 0.40 -1.26 -0.98 117.98 121.21 3gga s PHE 53 Ca 0.00 0.67 0.11 0.00 -0.60 0.00 0.00 56.93 57.10 3gga s PHE 53 Cb 0.00 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.43 3gga s PHE 53 CO 0.00 0.61 -0.20 0.96 0.70 0.00 0.00 175.22 177.29 3gga s ILE 54 N -1.27 2.21 -0.13 0.64 -4.36 -0.49 -4.95 121.20 112.84 3gga s ILE 54 Ca 0.27 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.28 3gga s ILE 54 Cb -0.14 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 3gga s ILE 54 CO 0.15 -0.33 0.58 -0.75 0.24 0.00 0.00 174.94 174.82 3gga s LYS 55 N -3.16 4.32 0.30 0.37 2.20 -1.26 -1.78 119.74 120.74 3gga s LYS 55 Ca 0.24 0.60 0.06 0.00 -0.36 0.00 0.00 55.97 56.50 3gga s LYS 55 Cb -0.05 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 3gga s LYS 55 CO 0.11 -0.00 -0.02 0.14 -0.36 0.00 0.00 175.35 175.21 3gga s VAL 56 N 1.11 1.56 -0.18 4.02 -7.23 0.06 -4.62 120.40 115.12 3gga s VAL 56 Ca 0.29 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 3gga s VAL 56 Cb -0.16 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 3gga s VAL 56 CO 0.12 -0.20 0.09 -0.13 -0.31 0.00 0.00 175.10 174.67 3gga s ARG 57 N -3.77 3.99 -0.36 4.82 0.52 0.80 -0.79 118.95 124.17 3gga s ARG 57 Ca 0.32 -0.29 -0.13 0.00 -0.52 0.00 0.00 55.73 55.11 3gga s ARG 57 Cb 0.06 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 3gga s ARG 57 CO 0.13 0.33 0.24 -1.14 0.02 0.00 0.00 175.30 174.88 3gga s GLN 58 N 0.24 3.29 -0.19 3.54 0.74 0.35 -0.75 119.66 126.88 3gga s GLN 58 Ca 0.06 -0.78 -0.06 0.00 0.05 0.00 0.00 55.36 54.62 3gga s GLN 58 Cb -0.12 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.14 3gga s GLN 58 CO -0.00 -0.54 0.04 0.71 -0.55 0.00 0.00 175.29 174.95 3gga s TYR 59 N 1.69 3.15 0.27 1.67 1.51 -0.13 -1.91 117.35 123.61 3gga s TYR 59 Ca 0.05 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 3gga s TYR 59 Cb -0.18 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.54 3gga s TYR 59 CO 0.10 -0.02 0.52 -0.51 -1.11 0.00 0.00 175.55 174.53 3gga s ASP 60 N 0.66 6.43 -1.10 2.29 1.01 -1.26 -0.91 116.67 123.79 3gga s ASP 60 Ca 0.02 0.65 -0.12 0.00 0.71 0.00 0.00 52.55 53.80 3gga s ASP 60 Cb -0.14 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3gga s ASP 60 CO 0.02 -0.17 0.86 1.67 0.21 0.00 0.00 175.17 177.76 3gga n GLN 61 N -0.90 -1.95 -4.36 8.23 7.27 -1.18 -4.93 117.38 119.55 3gga n GLN 61 Ca -0.02 0.68 -0.35 0.00 0.07 0.00 0.00 57.00 57.38 3gga n GLN 61 Cb 0.54 -5.06 -0.10 0.00 2.41 0.00 0.00 30.24 28.03 3gga n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3gga s ILE 62 N -3.43 4.25 0.14 1.69 -1.09 -0.25 -4.85 121.20 117.65 3gga s ILE 62 Ca 0.44 -0.26 -0.22 0.00 -2.23 0.00 0.00 60.65 58.39 3gga s ILE 62 Cb -0.11 -2.81 -0.08 0.00 -1.58 0.00 0.00 42.46 37.89 3gga s ILE 62 CO 0.80 0.57 0.68 -0.22 -1.23 0.00 0.00 174.94 175.54 3gga s LEU 63 N -0.56 4.52 -0.20 2.97 2.96 -1.26 -2.02 118.68 125.09 3gga s LEU 63 Ca 0.09 1.44 -0.11 0.00 -0.22 0.00 0.00 54.13 55.34 3gga s LEU 63 Cb -0.12 -3.20 0.07 0.00 0.50 0.00 0.00 46.19 43.43 3gga s LEU 63 CO 0.02 0.20 0.47 -0.51 -1.32 0.00 0.00 176.35 175.21 3gga s ILE 64 N -1.22 -0.07 -0.37 6.68 2.07 -0.25 -4.62 121.20 123.42 3gga s ILE 64 Ca 0.35 0.08 -0.19 0.00 -1.41 0.00 0.00 60.65 59.48 3gga s ILE 64 Cb -0.20 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.69 3gga s ILE 64 CO 0.22 0.03 0.55 -0.70 -1.91 0.00 0.00 174.94 173.13 3gga s GLU 65 N 1.55 3.54 -0.44 3.50 2.12 0.00 -1.66 118.70 127.32 3gga s GLU 65 Ca -0.09 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 54.93 3gga s GLU 65 Cb -0.08 -3.84 0.08 0.00 0.26 0.00 0.00 34.13 30.55 3gga s GLU 65 CO -0.14 -0.73 0.31 0.42 -0.54 0.00 0.00 175.26 174.57 3gga s ILE 66 N 2.49 4.58 -1.39 -3.70 1.01 0.31 -1.07 121.20 123.42 3gga s ILE 66 Ca 0.20 -1.28 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 3gga s ILE 66 Cb -0.15 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.58 3gga s ILE 66 CO 0.14 -0.53 0.95 0.00 0.00 0.00 0.00 174.94 175.50 3gga n GLY 68 N -1.66 3.19 3.76 0.00 0.00 -1.26 -5.05 105.19 104.17 3gga n GLY 68 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.81 3.45 0.27 1.61 4.02 -0.51 -5.08 115.29 116.24 3gga s HIS 69 Ca 0.00 0.40 -0.23 0.00 1.02 0.00 0.00 55.06 56.26 3gga s HIS 69 Cb 0.00 -2.14 -0.09 0.00 -1.02 0.00 0.00 32.58 29.33 3gga s HIS 69 CO 0.00 0.37 0.83 0.15 1.02 0.00 0.00 174.74 177.11 3gga s LYS 70 N 0.11 4.40 -0.05 1.40 1.02 -1.26 -0.53 119.74 124.83 3gga s LYS 70 Ca 0.10 1.09 -0.18 0.00 0.02 0.00 0.00 55.97 57.00 3gga s LYS 70 Cb -0.11 -2.82 0.04 0.00 -0.52 0.00 0.00 37.83 34.41 3gga s LYS 70 CO -0.00 0.33 0.41 0.00 -0.92 0.00 0.00 175.35 175.17 3gga s ALA 71 N -1.58 -1.06 0.02 5.17 0.00 -0.66 -4.86 121.76 118.79 3gga s ALA 71 Ca 0.47 0.71 0.05 0.00 0.00 0.00 0.00 51.96 53.19 3gga s ALA 71 Cb -0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3gga s ALA 71 CO 0.22 -0.28 -0.16 0.42 0.00 0.00 0.00 175.76 175.97 3gga s ILE 72 N -1.02 1.26 -3.50 0.00 1.09 -1.26 -1.09 121.20 116.69 3gga s ILE 72 Ca -0.11 -0.93 0.00 0.00 -1.10 0.00 0.00 60.65 58.51 3gga s ILE 72 Cb -0.04 -1.10 0.00 0.00 -1.06 0.00 0.00 42.46 40.26 3gga s ILE 72 CO 0.05 0.15 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 3gga n GLY 73 N 2.13 -1.63 3.72 6.18 0.00 -0.86 -4.93 105.19 109.80 3gga n GLY 73 Ca -0.17 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.72 4.37 -0.10 2.61 2.01 -1.26 -1.10 115.64 119.45 3gga s THR 74 Ca 0.00 1.76 0.03 0.00 0.31 0.00 0.00 61.69 63.79 3gga s THR 74 Cb 0.00 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 3gga s THR 74 CO 0.00 0.17 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.22 3gga s VAL 75 N 0.76 2.52 -0.12 3.82 1.01 -0.09 -4.47 120.40 123.83 3gga s VAL 75 Ca 0.54 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 3gga s VAL 75 Cb -0.26 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3gga s VAL 75 CO 0.30 0.55 0.13 -0.76 0.00 0.00 0.00 175.10 175.31 3gga s LEU 76 N 0.20 4.32 -0.05 3.92 1.43 0.50 -0.95 118.68 128.05 3gga s LEU 76 Ca -0.12 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3gga s LEU 76 Cb -0.16 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3gga s LEU 76 CO 0.06 0.40 -0.15 -0.69 0.23 0.00 0.00 176.35 176.21 3gga s VAL 77 N -1.00 1.31 0.00 -1.59 1.01 0.07 -0.64 120.40 119.56 3gga s VAL 77 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3gga s VAL 77 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3gga s VAL 77 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3gga n GLY 78 N 3.41 0.95 3.40 4.51 0.00 -1.16 -0.14 105.19 116.16 3gga n GLY 78 Ca -0.20 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 3.13 -4.67 1.61 -0.04 -1.26 -2.90 135.00 130.87 3gga n PRO 79 Ca 0.00 -3.14 -0.33 0.00 -0.04 0.00 0.00 63.50 59.98 3gga n PRO 79 Cb 0.00 -3.45 -0.12 0.00 -0.04 0.00 0.00 33.50 29.89 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 3.97 3.49 0.09 0.52 -1.32 -1.26 -5.01 115.64 116.12 3gga s THR 80 Ca 0.52 -0.54 0.33 0.00 -1.21 0.00 0.00 61.69 60.80 3gga s THR 80 Cb 0.06 -2.44 0.37 0.00 -1.51 0.00 0.00 72.50 68.98 3gga s THR 80 CO 0.04 0.57 2.00 1.55 -2.21 0.00 0.00 174.62 176.57 3gga h PRO 81 N 5.77 0.00 -3.80 7.08 0.13 -1.97 -3.41 132.00 135.80 3gga h PRO 81 Ca -0.41 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.50 3gga h PRO 81 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 3gga h PRO 81 CO 0.54 0.00 -0.72 0.14 -0.23 0.00 0.00 178.00 177.74 3gga s VAL 82 N -3.69 0.03 -0.00 1.56 -7.23 -1.26 -5.03 120.40 104.77 3gga s VAL 82 Ca 0.00 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 3gga s VAL 82 Cb 0.10 -0.07 -0.07 0.00 0.56 0.00 0.00 36.38 36.90 3gga s VAL 82 CO 0.47 -0.12 1.63 0.20 -0.31 0.00 0.00 175.10 176.97 3gga s ASN 83 N -0.36 6.66 -0.19 4.85 0.01 -1.26 -4.57 114.94 120.08 3gga s ASN 83 Ca -0.04 2.32 -0.02 0.00 -0.71 0.00 0.00 52.86 54.40 3gga s ASN 83 Cb -0.02 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 3gga s ASN 83 CO -0.00 -0.89 -0.08 -0.63 -1.51 0.00 0.00 177.10 173.99 3gga s ILE 84 N 3.39 3.26 -0.44 0.60 1.01 0.18 -0.71 121.20 128.49 3gga s ILE 84 Ca 0.73 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 3gga s ILE 84 Cb -0.35 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.72 3gga s ILE 84 CO 0.30 0.47 0.38 -0.63 0.00 0.00 0.00 174.94 175.46 3gga s ILE 85 N 1.03 5.20 0.58 2.92 -1.09 0.57 -1.12 121.20 129.29 3gga s ILE 85 Ca -0.00 -0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 57.67 3gga s ILE 85 Cb -0.15 -4.04 0.12 0.00 -1.58 0.00 0.00 42.46 36.81 3gga s ILE 85 CO -0.01 -0.46 0.79 0.61 -1.23 0.00 0.00 174.94 174.65 3gga n GLY 86 N 5.17 0.61 0.29 6.18 0.00 -1.20 -1.15 105.19 115.08 3gga n GLY 86 Ca -0.11 -2.01 0.05 0.00 0.00 0.00 0.00 46.02 43.96 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 0.32 -0.12 1.61 3.08 -1.04 -2.03 114.38 116.19 3gga h ARG 87 Ca -0.26 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.80 3gga h ARG 87 Cb 0.96 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 3gga h ARG 87 CO 0.28 0.22 0.13 -2.95 -1.07 0.00 0.00 179.97 176.57 3gga h ASN 88 N 0.32 0.00 0.00 7.04 -1.07 -1.81 -1.75 115.58 118.31 3gga h ASN 88 Ca 0.09 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.31 3gga h ASN 88 Cb -0.02 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.20 3gga h ASN 88 CO -0.02 0.00 -1.81 0.18 0.07 0.00 0.00 177.43 175.85 3gga n LEU 89 N -3.90 0.00 0.09 6.14 4.77 -0.91 -4.46 117.00 118.73 3gga n LEU 89 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3gga n LEU 89 Cb 0.24 0.20 0.26 0.00 -2.33 0.00 0.00 43.42 41.80 3gga n LEU 89 CO 0.28 0.20 0.72 -0.07 -1.33 0.00 0.00 177.39 177.20 3gga h LEU 90 N 0.00 0.27 -0.62 2.23 3.38 -0.98 -2.66 115.31 116.94 3gga h LEU 90 Ca -0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3gga h LEU 90 Cb 1.37 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3gga h LEU 90 CO 0.01 0.58 0.38 0.71 0.09 0.00 0.00 178.44 180.22 3gga h THR 91 N 0.24 1.17 0.00 0.22 1.35 -1.56 -2.25 112.91 112.08 3gga h THR 91 Ca 0.03 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 3gga h THR 91 Cb 0.68 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3gga h THR 91 CO 0.05 0.18 -0.03 -0.61 -0.25 0.00 0.00 175.52 174.85 3gga h GLN 92 N 0.83 0.00 -0.43 4.72 5.75 -1.69 -1.50 115.11 122.79 3gga h GLN 92 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3gga h GLN 92 Cb -0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.50 3gga h GLN 92 CO -0.04 0.03 0.00 0.44 -2.65 0.00 0.00 178.83 176.61 3gga n ILE 93 N -3.56 0.57 -2.29 2.39 -5.35 -1.06 -4.95 119.36 105.10 3gga n ILE 93 Ca -0.02 -0.71 -0.08 0.00 -0.27 0.00 0.00 62.75 61.67 3gga n ILE 93 Cb 0.13 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 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 1.44 0.13 3.70 3.28 0.00 -0.56 -5.00 105.19 108.17 3gga n GLY 94 Ca 0.19 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 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 1.27 1.67 -0.12 0.00 -4.23 -1.26 -4.71 115.64 108.25 3gga s THR 96 Ca 0.41 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.70 3gga s THR 96 Cb -0.18 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 3gga s THR 96 CO 0.19 -0.52 0.37 -0.76 -0.54 0.00 0.00 174.62 173.35 3gga s LEU 97 N -3.05 4.29 -0.04 4.79 1.43 -1.26 -5.10 118.68 119.74 3gga s LEU 97 Ca 0.19 0.67 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3gga s LEU 97 Cb -0.02 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.72 3gga s LEU 97 CO 0.06 0.10 -0.02 0.20 0.23 0.00 0.00 176.35 176.92 3gga s ASN 98 N 0.29 0.71 0.00 2.29 0.01 -1.26 -5.31 114.94 111.67 3gga s ASN 98 Ca 0.21 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 3gga s ASN 98 Cb -0.14 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.17 3gga s ASN 98 CO 0.07 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.81