#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 2.55 -0.29 0.54 0.74 -1.26 -5.06 119.66 116.88 3gga s GLN 2 Ca 0.00 -2.02 -0.28 0.00 0.05 0.00 0.00 55.36 53.11 3gga s GLN 2 Cb 0.00 -3.89 0.01 0.00 1.10 0.00 0.00 33.01 30.23 3gga s GLN 2 CO 0.00 -1.18 0.99 0.42 -0.55 0.00 0.00 175.29 174.97 3gga s ILE 3 N 0.88 4.63 0.52 -2.34 1.01 -1.26 -5.04 121.20 119.60 3gga s ILE 3 Ca 0.10 1.69 -0.16 0.00 0.00 0.00 0.00 60.65 62.28 3gga s ILE 3 Cb -0.23 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 3gga s ILE 3 CO -0.03 -0.33 0.99 0.42 0.00 0.00 0.00 174.94 175.99 3gga s THR 4 N 3.35 4.49 -0.33 2.92 -4.23 -1.26 -5.01 115.64 115.57 3gga s THR 4 Ca 0.42 1.20 0.16 0.00 -1.18 0.00 0.00 61.69 62.28 3gga s THR 4 Cb -0.13 -3.70 0.60 0.00 1.34 0.00 0.00 72.50 70.61 3gga s THR 4 CO 0.12 -0.68 1.51 0.18 -0.54 0.00 0.00 174.62 175.21 3gga n LEU 5 N -1.61 4.37 -0.11 4.79 4.77 -1.26 -4.50 117.00 123.45 3gga n LEU 5 Ca 0.07 -2.87 0.19 0.00 -0.03 0.00 0.00 56.01 53.37 3gga n LEU 5 Cb 0.54 -0.56 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 3gga n LEU 5 CO 0.46 0.68 1.21 -0.50 -1.33 0.00 0.00 177.39 177.91 3gga h TRP 6 N 2.58 0.23 -1.66 -1.77 4.06 -2.05 -3.43 115.95 113.91 3gga h TRP 6 Ca 0.00 0.01 -0.63 0.00 2.06 0.00 0.00 58.89 60.33 3gga h TRP 6 Cb 1.53 -0.07 -0.13 0.00 -1.00 0.00 0.00 29.16 29.49 3gga h TRP 6 CO 0.65 0.08 -0.60 -0.65 -3.56 0.00 0.00 178.44 174.37 3gga s GLN 7 N -5.20 1.97 0.08 0.49 1.11 -1.26 -5.10 119.66 111.75 3gga s GLN 7 Ca -0.06 -2.09 -0.31 0.00 0.01 0.00 0.00 55.36 52.91 3gga s GLN 7 Cb 0.21 -1.66 -0.08 0.00 -1.01 0.00 0.00 33.01 30.46 3gga s GLN 7 CO 0.75 -0.05 1.62 1.03 0.01 0.00 0.00 175.29 178.65 3gga s ARG 8 N -3.72 4.21 -0.82 2.91 0.52 -1.26 -4.90 118.95 115.89 3gga s ARG 8 Ca 0.35 2.30 -0.23 0.00 -0.52 0.00 0.00 55.73 57.64 3gga s ARG 8 Cb 0.09 -3.53 -0.15 0.00 0.52 0.00 0.00 34.95 31.88 3gga s ARG 8 CO 0.18 -0.70 1.91 -0.35 0.02 0.00 0.00 175.30 176.37 3gga n PRO 9 N 5.34 1.46 -3.23 3.54 -0.04 -1.26 -4.91 135.00 135.90 3gga n PRO 9 Ca 0.15 -1.93 -0.39 0.00 -0.04 0.00 0.00 63.50 61.29 3gga n PRO 9 Cb 0.41 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.75 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 3.06 4.25 0.25 1.53 1.43 -1.26 -1.61 118.68 126.34 3gga s LEU 10 Ca 0.60 0.87 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 3gga s LEU 10 Cb 0.11 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 3gga s LEU 10 CO 0.13 -0.08 -0.07 0.68 0.23 0.00 0.00 176.35 177.24 3gga s VAL 11 N 0.95 1.54 -0.01 -1.59 -7.23 0.42 -4.92 120.40 109.56 3gga s VAL 11 Ca 0.28 -2.12 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 3gga s VAL 11 Cb -0.16 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3gga s VAL 11 CO 0.12 -0.38 0.87 -0.89 -0.31 0.00 0.00 175.10 174.51 3gga s THR 12 N -3.09 4.89 0.22 5.32 2.01 -1.26 -0.82 115.64 122.91 3gga s THR 12 Ca 0.27 1.83 0.11 0.00 0.31 0.00 0.00 61.69 64.22 3gga s THR 12 Cb 0.03 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 3gga s THR 12 CO 0.10 0.21 -0.21 0.27 -0.69 0.00 0.00 174.62 174.30 3gga s ILE 13 N 0.80 2.49 -0.25 1.82 -4.36 0.16 -2.94 121.20 118.93 3gga s ILE 13 Ca 0.46 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 3gga s ILE 13 Cb -0.20 -2.23 0.06 0.00 1.25 0.00 0.00 42.46 41.34 3gga s ILE 13 CO 0.25 -0.19 -0.07 -0.75 0.24 0.00 0.00 174.94 174.41 3gga s LYS 14 N -2.92 1.86 -0.07 0.37 2.20 0.55 -0.81 119.74 120.93 3gga s LYS 14 Ca 0.24 -1.18 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 3gga s LYS 14 Cb -0.07 -2.73 0.02 0.00 -1.51 0.00 0.00 37.83 33.53 3gga s LYS 14 CO 0.12 -0.60 -0.11 -1.50 -0.36 0.00 0.00 175.35 172.89 3gga s ILE 15 N 1.26 1.09 -1.69 5.43 2.07 -0.47 -0.55 121.20 128.33 3gga s ILE 15 Ca -0.06 -0.43 -0.02 0.00 -1.41 0.00 0.00 60.65 58.72 3gga s ILE 15 Cb -0.19 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.39 3gga s ILE 15 CO -0.06 0.35 0.26 0.61 -1.91 0.00 0.00 174.94 174.19 3gga n GLY 16 N 3.97 -0.51 2.57 1.50 0.00 -1.26 -0.84 105.19 110.62 3gga n GLY 16 Ca -0.22 0.06 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 -1.23 0.33 3.58 -0.02 0.00 -1.26 -5.01 105.19 101.58 3gga n GLY 17 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.78 3.19 -0.07 1.61 -0.21 -0.02 -5.11 119.66 118.27 3gga s GLN 18 Ca 0.00 -0.49 -0.20 0.00 0.02 0.00 0.00 55.36 54.69 3gga s GLN 18 Cb 0.00 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.19 3gga s GLN 18 CO 0.00 0.51 0.54 -0.51 -2.12 0.00 0.00 175.29 173.71 3gga s LEU 19 N -0.37 4.33 0.07 2.90 1.43 -1.26 -1.37 118.68 124.42 3gga s LEU 19 Ca 0.06 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3gga s LEU 19 Cb -0.12 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3gga s LEU 19 CO 0.02 0.03 -0.06 -0.54 0.23 0.00 0.00 176.35 176.03 3gga s LYS 20 N 0.33 0.69 0.00 1.70 -0.14 0.01 -4.98 119.74 117.36 3gga s LYS 20 Ca 0.29 -1.14 -0.18 0.00 -1.36 0.00 0.00 55.97 53.58 3gga s LYS 20 Cb -0.16 -0.13 -0.06 0.00 -1.68 0.00 0.00 37.83 35.80 3gga s LYS 20 CO 0.14 -0.02 0.52 -2.00 -0.76 0.00 0.00 175.35 173.23 3gga s GLU 21 N -3.21 4.19 -0.02 1.68 2.12 -1.26 0.39 118.70 122.58 3gga s GLU 21 Ca 0.04 0.61 -0.08 0.00 0.36 0.00 0.00 54.97 55.90 3gga s GLU 21 Cb 0.02 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.12 3gga s GLU 21 CO -0.04 0.50 0.18 0.00 -0.54 0.00 0.00 175.26 175.35 3gga s ALA 22 N -0.56 -0.44 -0.23 6.30 0.00 -0.00 -4.47 121.76 122.36 3gga s ALA 22 Ca 0.28 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 3gga s ALA 22 Cb -0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3gga s ALA 22 CO 0.16 -0.19 0.45 -1.17 0.00 0.00 0.00 175.76 175.01 3gga s LEU 23 N -0.98 4.10 -0.33 0.00 2.96 0.75 -0.44 118.68 124.75 3gga s LEU 23 Ca -0.11 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 3gga s LEU 23 Cb -0.06 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.06 3gga s LEU 23 CO 0.02 -0.17 1.34 -0.76 -1.32 0.00 0.00 176.35 175.46 3gga s LEU 24 N 1.79 3.79 -0.42 -0.68 1.43 -0.63 0.09 118.68 124.05 3gga s LEU 24 Ca 0.20 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 3gga s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.66 3gga s LEU 24 CO 0.09 -1.19 0.22 -0.62 0.23 0.00 0.00 176.35 175.08 3gga s ASP 25 N 3.18 3.67 0.55 2.29 -1.08 -0.44 -4.79 116.67 120.05 3gga s ASP 25 Ca 0.58 -2.52 0.36 0.00 -0.52 0.00 0.00 52.55 50.45 3gga s ASP 25 Cb -0.16 -1.01 1.88 0.00 -1.46 0.00 0.00 42.92 42.17 3gga s ASP 25 CO 0.26 -0.28 2.11 0.71 0.52 0.00 0.00 175.17 178.49 3gga h THR 26 N 5.36 0.00 -0.35 1.71 1.35 -1.94 -1.22 112.91 117.82 3gga h THR 26 Ca -0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3gga h THR 26 Cb 0.94 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 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 -0.84 2.00 3.18 5.82 0.00 -1.26 -4.81 105.19 109.28 3gga n GLY 27 Ca -0.02 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.86 2.17 0.12 4.61 0.00 -0.46 -5.00 121.76 121.34 3gga s ALA 28 Ca 0.30 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 3gga s ALA 28 Cb 0.21 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3gga s ALA 28 CO 0.12 0.09 1.47 -0.44 0.00 0.00 0.00 175.76 177.00 3gga h ASP 29 N 7.09 0.86 -2.83 0.00 3.32 -1.87 0.20 116.42 123.20 3gga h ASP 29 Ca -0.27 -0.44 -0.60 0.00 0.02 0.00 0.00 57.03 55.74 3gga h ASP 29 Cb 1.21 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 40.41 3gga h ASP 29 CO 0.52 1.11 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.69 3gga s ASP 30 N -6.61 4.81 -0.08 6.45 1.01 -1.26 -3.12 116.67 117.88 3gga s ASP 30 Ca -0.12 -0.39 -0.21 0.00 0.71 0.00 0.00 52.55 52.54 3gga s ASP 30 Cb 0.10 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 3gga s ASP 30 CO 0.85 0.08 0.60 -0.89 0.21 0.00 0.00 175.17 176.02 3gga s THR 31 N -1.76 5.09 -0.03 -1.27 2.01 -1.26 -3.26 115.64 115.16 3gga s THR 31 Ca 0.28 1.23 -0.00 0.00 0.31 0.00 0.00 61.69 63.51 3gga s THR 31 Cb -0.09 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.50 3gga s THR 31 CO 0.19 0.30 0.03 0.54 -0.69 0.00 0.00 174.62 174.98 3gga s VAL 32 N 0.62 0.01 0.14 3.82 0.11 -0.15 -1.35 120.40 123.61 3gga s VAL 32 Ca 0.32 0.22 0.09 0.00 -2.93 0.00 0.00 61.98 59.68 3gga s VAL 32 Cb -0.17 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3gga s VAL 32 CO 0.15 0.13 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.11 3gga s LEU 33 N 1.28 2.71 0.86 2.54 1.43 -0.02 -0.52 118.68 126.95 3gga s LEU 33 Ca -0.06 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 3gga s LEU 33 Cb -0.13 -1.52 0.07 0.00 0.03 0.00 0.00 46.19 44.65 3gga s LEU 33 CO -0.03 0.16 0.92 -0.62 0.23 0.00 0.00 176.35 177.01 3gga n GLU 34 N 0.60 -0.07 -1.57 1.70 1.02 -1.26 -2.10 120.64 118.96 3gga n GLU 34 Ca -0.14 0.05 -0.51 0.00 -0.02 0.00 0.00 57.16 56.54 3gga n GLU 34 Cb 0.54 -2.21 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.81 0.99 -3.60 3.49 0.00 -1.23 -4.66 120.64 112.82 3gga n GLU 35 Ca 0.11 0.36 -0.03 0.00 0.00 0.00 0.00 57.16 57.59 3gga n GLU 35 Cb 0.51 -1.87 -0.02 0.00 0.00 0.00 0.00 31.44 30.06 3gga n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gga s MET 36 N -0.11 0.47 0.08 5.31 0.23 -1.26 -5.05 119.30 118.97 3gga s MET 36 Ca 0.78 -0.21 -0.14 0.00 -1.03 0.00 0.00 55.69 55.09 3gga s MET 36 Cb -0.93 0.19 -0.06 0.00 -1.53 0.00 0.00 34.83 32.50 3gga s MET 36 CO 0.51 -0.21 0.48 0.45 -2.03 0.00 0.00 175.02 174.23 3gga s SER 37 N -2.48 6.83 0.01 -1.18 0.15 -1.26 -5.04 113.70 110.72 3gga s SER 37 Ca 0.10 1.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.73 3gga s SER 37 Cb 0.00 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 3gga s SER 37 CO -0.05 0.21 0.08 -0.76 1.20 0.00 0.00 173.24 173.92 3gga s LEU 38 N -1.56 1.80 0.78 3.45 1.43 -1.26 -5.03 118.68 118.29 3gga s LEU 38 Ca 0.31 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 3gga s LEU 38 Cb -0.16 0.47 0.06 0.00 0.03 0.00 0.00 46.19 46.59 3gga s LEU 38 CO 0.17 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.34 3gga s PRO 39 N -1.44 2.25 0.00 1.29 0.04 -1.26 -4.96 135.00 130.93 3gga s PRO 39 Ca -0.15 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3gga s PRO 39 Cb -0.08 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3gga s PRO 39 CO 0.01 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.96 3gga n GLY 40 N -2.22 -0.25 3.88 0.56 0.00 -1.26 -4.95 105.19 100.94 3gga n GLY 40 Ca 0.07 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.07 3.31 0.01 1.61 1.81 -1.26 -5.10 118.95 118.26 3gga s ARG 41 Ca 0.00 0.62 -0.06 0.00 -1.72 0.00 0.00 55.73 54.57 3gga s ARG 41 Cb 0.00 -2.07 -0.00 0.00 -0.45 0.00 0.00 34.95 32.43 3gga s ARG 41 CO 0.00 -0.74 0.11 1.67 -0.68 0.00 0.00 175.30 175.66 3gga s TRP 42 N -3.24 0.10 0.04 -0.53 1.48 -1.26 -4.51 118.94 111.02 3gga s TRP 42 Ca 0.56 -0.26 0.04 0.00 -1.06 0.00 0.00 56.10 55.39 3gga s TRP 42 Cb -0.11 -0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.08 3gga s TRP 42 CO 0.53 -0.29 -0.07 0.15 -4.06 0.00 0.00 176.95 173.21 3gga s LYS 43 N -1.64 2.44 0.35 3.25 1.02 -0.92 -4.90 119.74 119.34 3gga s LYS 43 Ca -0.13 -0.82 -0.26 0.00 0.02 0.00 0.00 55.97 54.78 3gga s LYS 43 Cb -0.07 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 3gga s LYS 43 CO 0.00 0.57 1.03 -1.25 -0.92 0.00 0.00 175.35 174.78 3gga s PRO 44 N -1.76 4.38 -0.02 -1.68 0.04 -1.26 -0.43 135.00 134.28 3gga s PRO 44 Ca 0.20 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 3gga s PRO 44 Cb -0.11 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.69 3gga s PRO 44 CO 0.11 0.05 0.22 0.21 0.04 0.00 0.00 177.00 177.63 3gga s LYS 45 N -2.14 0.51 -0.17 4.56 2.20 0.06 -4.88 119.74 119.88 3gga s LYS 45 Ca 0.53 -0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 55.86 3gga s LYS 45 Cb -0.23 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 3gga s LYS 45 CO 0.29 -0.12 0.09 1.41 -0.36 0.00 0.00 175.35 176.66 3gga s MET 46 N -1.10 3.91 0.13 4.03 -2.45 -1.26 0.39 119.30 122.94 3gga s MET 46 Ca -0.12 -0.28 0.07 0.00 -1.25 0.00 0.00 55.69 54.11 3gga s MET 46 Cb -0.06 -3.25 -0.04 0.00 1.25 0.00 0.00 34.83 32.74 3gga s MET 46 CO 0.02 0.38 -0.16 0.96 1.05 0.00 0.00 175.02 177.27 3gga s ILE 47 N 0.08 1.51 0.02 10.11 -4.36 -0.53 -4.97 121.20 123.06 3gga s ILE 47 Ca 0.07 -1.72 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 3gga s ILE 47 Cb -0.12 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3gga s ILE 47 CO 0.00 -0.32 -0.12 -0.83 0.24 0.00 0.00 174.94 173.91 3gga s GLY 48 N -2.38 0.67 0.00 6.27 0.00 -1.26 -1.16 107.32 109.46 3gga s GLY 48 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3gga s GLY 48 CO 0.04 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.11 3gga n GLY 49 N 2.23 5.31 3.75 0.20 0.00 -0.67 -5.02 105.19 111.00 3gga n GLY 49 Ca -0.17 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 0.34 2.87 0.00 -0.61 1.01 -1.26 -3.30 121.20 120.26 3gga s ILE 50 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3gga s ILE 50 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3gga s ILE 50 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3gga n GLY 51 N 1.92 3.20 0.00 6.18 0.00 -1.26 -4.94 105.19 110.29 3gga n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.42 0.76 3.47 -0.02 0.00 -1.21 -5.11 105.19 101.66 3gga n GLY 52 Ca 0.00 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.40 2.59 0.09 1.61 0.40 -1.26 -1.67 117.98 116.34 3gga s PHE 53 Ca 0.00 -0.24 0.07 0.00 -0.60 0.00 0.00 56.93 56.16 3gga s PHE 53 Cb 0.00 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 3gga s PHE 53 CO 0.00 0.26 -0.18 0.96 0.70 0.00 0.00 175.22 176.97 3gga s ILE 54 N -0.93 1.46 -0.03 0.64 -4.36 -0.31 -4.99 121.20 112.69 3gga s ILE 54 Ca 0.15 -1.48 -0.23 0.00 -0.26 0.00 0.00 60.65 58.83 3gga s ILE 54 Cb -0.11 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 3gga s ILE 54 CO 0.05 -0.16 0.68 -0.75 0.24 0.00 0.00 174.94 175.01 3gga s LYS 55 N -1.92 4.41 0.22 0.37 2.20 -1.26 -1.45 119.74 122.31 3gga s LYS 55 Ca 0.04 0.86 0.05 0.00 -0.36 0.00 0.00 55.97 56.56 3gga s LYS 55 Cb -0.10 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3gga s LYS 55 CO 0.03 0.20 -0.06 0.14 -0.36 0.00 0.00 175.35 175.31 3gga s VAL 56 N 0.32 1.34 -0.25 4.02 -7.23 0.16 -4.48 120.40 114.28 3gga s VAL 56 Ca 0.35 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 3gga s VAL 56 Cb -0.18 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 3gga s VAL 56 CO 0.19 -0.46 0.06 -0.13 -0.31 0.00 0.00 175.10 174.46 3gga s ARG 57 N -3.77 3.64 -0.16 4.82 0.52 -0.03 -0.76 118.95 123.21 3gga s ARG 57 Ca 0.25 -0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 54.76 3gga s ARG 57 Cb 0.03 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 3gga s ARG 57 CO 0.07 -0.19 0.65 -1.14 0.02 0.00 0.00 175.30 174.72 3gga s GLN 58 N 1.60 4.28 -0.06 3.54 0.74 0.43 -0.72 119.66 129.47 3gga s GLN 58 Ca 0.06 0.69 0.05 0.00 0.05 0.00 0.00 55.36 56.22 3gga s GLN 58 Cb -0.15 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.41 3gga s GLN 58 CO 0.03 -0.14 -0.22 0.71 -0.55 0.00 0.00 175.29 175.12 3gga s TYR 59 N 1.57 2.51 0.20 1.67 1.51 0.04 -2.17 117.35 122.68 3gga s TYR 59 Ca 0.31 -0.57 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3gga s TYR 59 Cb -0.16 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 3gga s TYR 59 CO 0.12 -0.12 0.19 -0.51 -1.11 0.00 0.00 175.55 174.12 3gga s ASP 60 N -0.28 5.66 -1.35 2.29 1.01 -1.26 -0.57 116.67 122.17 3gga s ASP 60 Ca 0.00 -0.13 -0.15 0.00 0.71 0.00 0.00 52.55 52.98 3gga s ASP 60 Cb -0.13 -1.50 0.02 0.00 1.01 0.00 0.00 42.92 42.31 3gga s ASP 60 CO 0.03 0.02 0.43 0.00 0.21 0.00 0.00 175.17 175.85 3gga n GLN 61 N -0.75 -1.20 -3.61 8.23 3.00 -1.24 -4.87 117.38 116.94 3gga n GLN 61 Ca -0.08 0.20 -0.37 0.00 -0.01 0.00 0.00 57.00 56.74 3gga n GLN 61 Cb 0.56 -3.47 -0.06 0.00 0.00 0.00 0.00 30.24 27.26 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 -3.88 5.27 -0.14 5.09 -1.09 -0.43 -4.72 121.20 121.30 3gga s ILE 62 Ca 0.24 0.56 -0.25 0.00 -2.23 0.00 0.00 60.65 58.97 3gga s ILE 62 Cb -0.12 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 3gga s ILE 62 CO 0.95 0.50 0.79 -0.22 -1.23 0.00 0.00 174.94 175.73 3gga s LEU 63 N -0.36 4.22 -0.05 2.97 2.96 -1.26 -1.28 118.68 125.88 3gga s LEU 63 Ca 0.18 1.17 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3gga s LEU 63 Cb -0.14 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.38 3gga s LEU 63 CO 0.07 -0.31 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.09 3gga s ILE 64 N 1.75 0.66 -0.24 6.68 1.01 0.34 -4.42 121.20 126.99 3gga s ILE 64 Ca 0.38 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 3gga s ILE 64 Cb -0.17 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 3gga s ILE 64 CO 0.14 0.25 0.65 -0.70 0.00 0.00 0.00 174.94 175.28 3gga s GLU 65 N 0.87 4.14 -0.22 2.79 2.12 0.29 -0.88 118.70 127.82 3gga s GLU 65 Ca -0.12 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.82 3gga s GLU 65 Cb -0.15 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.64 3gga s GLU 65 CO 0.01 -0.38 -0.12 0.42 -0.54 0.00 0.00 175.26 174.64 3gga s ILE 66 N 2.39 2.47 -1.55 -3.70 1.01 0.39 -0.33 121.20 121.89 3gga s ILE 66 Ca 0.28 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 3gga s ILE 66 Cb -0.16 -2.19 0.07 0.00 0.01 0.00 0.00 42.46 40.19 3gga s ILE 66 CO 0.09 0.32 0.54 0.00 0.00 0.00 0.00 174.94 175.89 3gga n GLY 68 N -1.79 0.44 3.67 0.00 0.00 -1.26 -4.99 105.19 101.26 3gga n GLY 68 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.27 3.32 0.14 1.61 4.02 0.18 -5.08 115.29 117.21 3gga s HIS 69 Ca 0.00 0.18 -0.30 0.00 1.02 0.00 0.00 55.06 55.96 3gga s HIS 69 Cb 0.00 -2.15 -0.07 0.00 -1.02 0.00 0.00 32.58 29.34 3gga s HIS 69 CO 0.00 0.17 1.15 0.15 1.02 0.00 0.00 174.74 177.23 3gga s LYS 70 N 0.54 4.52 0.02 1.40 1.02 -1.26 -0.46 119.74 125.52 3gga s LYS 70 Ca 0.06 1.77 0.02 0.00 0.02 0.00 0.00 55.97 57.84 3gga s LYS 70 Cb -0.12 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3gga s LYS 70 CO 0.00 -0.06 -0.07 0.00 -0.92 0.00 0.00 175.35 174.30 3gga s ALA 71 N 0.19 0.51 -0.15 5.17 0.00 -0.06 -4.73 121.76 122.69 3gga s ALA 71 Ca 0.53 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 3gga s ALA 71 Cb -0.30 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 22.82 3gga s ALA 71 CO 0.34 0.06 0.02 0.42 0.00 0.00 0.00 175.76 176.59 3gga s ILE 72 N -0.66 0.52 0.01 0.00 1.01 -1.26 -0.50 121.20 120.32 3gga s ILE 72 Ca -0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 3gga s ILE 72 Cb -0.05 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.57 3gga s ILE 72 CO 0.00 -0.01 0.45 0.61 0.00 0.00 0.00 174.94 175.99 3gga n GLY 73 N 5.07 0.62 3.77 6.18 0.00 -0.41 -4.80 105.19 115.62 3gga n GLY 73 Ca -0.09 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.17 2.47 -0.05 2.61 2.01 -1.26 -1.32 115.64 117.92 3gga s THR 74 Ca 0.11 0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.54 3gga s THR 74 Cb -0.00 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.25 3gga s THR 74 CO 0.00 0.10 0.11 -0.69 -0.69 0.00 0.00 174.62 173.45 3gga s VAL 75 N -0.86 -0.12 -0.06 3.82 1.01 0.27 -4.53 120.40 119.93 3gga s VAL 75 Ca 0.53 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 3gga s VAL 75 Cb -0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3gga s VAL 75 CO 0.54 0.12 0.13 -0.76 0.00 0.00 0.00 175.10 175.12 3gga s LEU 76 N 1.61 4.22 -0.08 3.92 1.43 -0.45 -0.78 118.68 128.54 3gga s LEU 76 Ca -0.04 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3gga s LEU 76 Cb -0.12 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3gga s LEU 76 CO -0.05 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 3gga s VAL 77 N -1.14 1.39 -0.02 -1.59 1.01 0.10 -0.84 120.40 119.32 3gga s VAL 77 Ca 0.20 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3gga s VAL 77 Cb -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3gga s VAL 77 CO 0.10 0.41 0.30 0.61 0.00 0.00 0.00 175.10 176.53 3gga n GLY 78 N 3.89 0.38 2.61 4.51 0.00 -0.89 -0.85 105.19 114.84 3gga n GLY 78 Ca -0.21 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.22 2.37 -3.57 1.61 -0.04 -1.26 -3.54 135.00 130.36 3gga n PRO 79 Ca 0.01 -1.69 -0.37 0.00 -0.04 0.00 0.00 63.50 61.41 3gga n PRO 79 Cb 0.13 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 30.92 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 3.33 5.19 0.49 0.52 -1.32 -1.26 -4.99 115.64 117.59 3gga s THR 80 Ca 0.48 0.67 0.39 0.00 -1.21 0.00 0.00 61.69 62.01 3gga s THR 80 Cb 0.12 -3.65 0.41 0.00 -1.51 0.00 0.00 72.50 67.87 3gga s THR 80 CO -0.02 0.53 2.23 1.55 -2.21 0.00 0.00 174.62 176.70 3gga h PRO 81 N 5.31 0.00 -2.80 7.08 0.13 -1.99 -3.42 132.00 136.32 3gga h PRO 81 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 3gga h PRO 81 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 3gga h PRO 81 CO 0.65 0.02 -0.20 0.54 -0.23 0.00 0.00 178.00 178.78 3gga s VAL 82 N -4.08 0.03 0.07 1.56 0.11 -1.26 -5.07 120.40 111.76 3gga s VAL 82 Ca -0.03 -0.26 -0.31 0.00 -2.93 0.00 0.00 61.98 58.45 3gga s VAL 82 Cb 0.12 -0.66 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 3gga s VAL 82 CO 0.48 -0.14 1.39 0.20 -3.33 0.00 0.00 175.10 173.70 3gga s ASN 83 N -0.82 6.84 -0.11 3.54 0.01 -1.26 -4.67 114.94 118.47 3gga s ASN 83 Ca -0.09 2.24 0.01 0.00 -0.71 0.00 0.00 52.86 54.32 3gga s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3gga s ASN 83 CO 0.04 -0.67 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.18 3gga s ILE 84 N 1.59 1.47 -0.44 0.60 1.01 0.32 -0.18 121.20 125.57 3gga s ILE 84 Ca 0.64 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 3gga s ILE 84 Cb -0.35 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 40.79 3gga s ILE 84 CO 0.29 0.44 0.53 -0.63 0.00 0.00 0.00 174.94 175.56 3gga s ILE 85 N 1.09 4.98 0.55 2.92 -1.09 0.11 -0.97 121.20 128.80 3gga s ILE 85 Ca -0.04 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.10 3gga s ILE 85 Cb -0.14 -4.13 0.11 0.00 -1.58 0.00 0.00 42.46 36.72 3gga s ILE 85 CO -0.03 -0.54 0.76 0.61 -1.23 0.00 0.00 174.94 174.51 3gga n GLY 86 N 5.10 0.19 0.25 6.18 0.00 -1.20 -1.33 105.19 114.38 3gga n GLY 86 Ca -0.06 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 -0.09 1.61 3.08 -0.92 -1.69 114.38 116.37 3gga h ARG 87 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3gga h ARG 87 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3gga h ARG 87 CO 0.24 0.15 -0.07 -2.95 -1.07 0.00 0.00 179.97 176.28 3gga h ASN 88 N 0.00 0.12 0.01 7.04 -1.07 -1.81 -1.68 115.58 118.20 3gga h ASN 88 Ca -0.00 -0.02 -0.37 0.00 0.07 0.00 0.00 56.30 55.98 3gga h ASN 88 Cb 0.36 -0.03 -0.07 0.00 -2.07 0.00 0.00 38.32 36.51 3gga h ASN 88 CO 0.02 0.22 -2.38 0.18 0.07 0.00 0.00 177.43 175.53 3gga n LEU 89 N -4.38 0.49 -0.30 6.14 4.77 -0.92 -4.22 117.00 118.57 3gga n LEU 89 Ca -0.01 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 3gga n LEU 89 Cb 0.19 0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.72 3gga n LEU 89 CO 0.36 0.57 1.25 -0.07 -1.33 0.00 0.00 177.39 178.17 3gga h LEU 90 N 0.00 1.03 -1.04 2.23 3.38 -1.23 -2.13 115.31 117.54 3gga h LEU 90 Ca -0.55 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3gga h LEU 90 Cb 2.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.65 3gga h LEU 90 CO 0.01 0.76 0.38 0.71 0.09 0.00 0.00 178.44 180.39 3gga h THR 91 N 1.20 1.23 -0.72 0.22 1.35 -1.51 -1.65 112.91 113.03 3gga h THR 91 Ca 0.32 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.53 3gga h THR 91 Cb -0.11 0.25 -0.03 0.00 -1.73 0.00 0.00 68.15 66.53 3gga h THR 91 CO -0.07 0.27 0.34 1.56 -0.25 0.00 0.00 175.52 177.37 3gga h GLN 92 N 1.05 1.04 -0.05 4.72 4.20 -1.57 -2.35 115.11 122.15 3gga h GLN 92 Ca 0.26 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gga h GLN 92 Cb 0.07 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3gga h GLN 92 CO -0.04 0.82 0.00 0.44 -0.67 0.00 0.00 178.83 179.39 3gga n ILE 93 N -4.41 0.07 -1.33 2.54 -5.35 -1.06 -4.91 119.36 104.91 3gga n ILE 93 Ca 0.06 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3gga n ILE 93 Cb 0.14 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 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 0.94 0.64 3.75 3.28 0.00 -0.89 -5.04 105.19 107.86 3gga n GLY 94 Ca 0.16 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.37 0.33 -0.14 0.00 -4.23 -1.26 -4.76 115.64 105.21 3gga s THR 96 Ca 0.53 -1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 3gga s THR 96 Cb -0.37 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 3gga s THR 96 CO 0.43 -0.79 0.30 -0.76 -0.54 0.00 0.00 174.62 173.25 3gga s LEU 97 N -2.47 4.27 -0.05 4.79 1.02 -1.26 -5.10 118.68 119.88 3gga s LEU 97 Ca 0.01 0.56 0.01 0.00 0.02 0.00 0.00 54.13 54.73 3gga s LEU 97 Cb 0.01 -2.39 0.02 0.00 0.02 0.00 0.00 46.19 43.85 3gga s LEU 97 CO -0.06 0.13 -0.07 0.20 0.02 0.00 0.00 176.35 176.58 3gga s ASN 98 N 0.24 1.25 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.30 3gga s ASN 98 Ca 0.18 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 3gga s ASN 98 Cb -0.13 -0.57 0.00 0.00 -0.02 0.00 0.00 41.25 40.52 3gga s ASN 98 CO 0.05 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.76