#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 2.77 -0.28 0.54 0.74 -1.26 -5.08 119.66 117.09 3gga s GLN 2 Ca 0.00 -1.08 -0.15 0.00 0.05 0.00 0.00 55.36 54.17 3gga s GLN 2 Cb 0.00 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 3gga s GLN 2 CO 0.00 -0.61 0.39 0.42 -0.55 0.00 0.00 175.29 174.94 3gga s ILE 3 N 1.45 5.16 0.89 -2.34 1.09 -1.26 -5.08 121.20 121.10 3gga s ILE 3 Ca -0.00 0.57 -0.14 0.00 -1.10 0.00 0.00 60.65 59.98 3gga s ILE 3 Cb -0.19 -3.73 0.15 0.00 -1.06 0.00 0.00 42.46 37.63 3gga s ILE 3 CO 0.03 0.12 1.25 0.42 -0.10 0.00 0.00 174.94 176.66 3gga s THR 4 N 2.11 2.02 -0.05 2.92 -4.23 -1.26 -5.04 115.64 112.11 3gga s THR 4 Ca 0.16 -0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.70 3gga s THR 4 Cb -0.16 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.81 3gga s THR 4 CO 0.10 0.00 1.04 0.18 -0.54 0.00 0.00 174.62 175.40 3gga n LEU 5 N -3.53 2.06 -0.25 4.79 4.77 -1.26 -4.63 117.00 118.95 3gga n LEU 5 Ca 0.12 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 3gga n LEU 5 Cb 0.60 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.66 3gga n LEU 5 CO 0.50 0.56 1.10 -0.50 -1.33 0.00 0.00 177.39 177.72 3gga h TRP 6 N 0.00 0.71 -1.94 -1.77 4.06 -2.05 -3.42 115.95 111.54 3gga h TRP 6 Ca 0.00 0.03 -0.55 0.00 2.06 0.00 0.00 58.89 60.43 3gga h TRP 6 Cb 0.71 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.57 3gga h TRP 6 CO 0.00 0.31 -0.56 -0.65 -3.56 0.00 0.00 178.44 173.98 3gga s GLN 7 N -6.07 2.33 0.20 0.49 1.11 -1.26 -5.10 119.66 111.35 3gga s GLN 7 Ca -0.13 -1.55 -0.33 0.00 0.01 0.00 0.00 55.36 53.37 3gga s GLN 7 Cb 0.17 -2.15 -0.14 0.00 -1.01 0.00 0.00 33.01 29.89 3gga s GLN 7 CO 0.77 0.16 1.43 0.54 0.01 0.00 0.00 175.29 178.19 3gga n ARG 8 N -1.09 1.91 -2.10 2.91 1.74 -1.26 -4.88 116.66 113.89 3gga n ARG 8 Ca -0.04 0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 57.32 3gga n ARG 8 Cb 0.61 -2.36 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 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 2.44 2.70 -3.74 5.56 -0.04 -1.26 -4.94 135.00 135.72 3gga n PRO 9 Ca 0.14 -2.82 -0.36 0.00 -0.04 0.00 0.00 63.50 60.42 3gga n PRO 9 Cb 0.29 -3.41 -0.10 0.00 -0.04 0.00 0.00 33.50 30.25 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 4.21 4.00 0.26 1.53 1.43 -1.26 -1.43 118.68 127.42 3gga s LEU 10 Ca 0.54 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.81 3gga s LEU 10 Cb 0.08 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3gga s LEU 10 CO 0.04 0.09 -0.11 0.68 0.23 0.00 0.00 176.35 177.27 3gga s VAL 11 N 0.92 1.85 -0.16 -1.59 -7.23 -0.51 -4.93 120.40 108.75 3gga s VAL 11 Ca 0.07 -2.20 -0.23 0.00 -1.81 0.00 0.00 61.98 57.80 3gga s VAL 11 Cb -0.13 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 3gga s VAL 11 CO 0.03 -0.42 0.70 -0.89 -0.31 0.00 0.00 175.10 174.22 3gga s THR 12 N -2.89 4.99 0.18 5.32 2.01 -1.26 -1.17 115.64 122.82 3gga s THR 12 Ca 0.27 1.37 0.08 0.00 0.31 0.00 0.00 61.69 63.72 3gga s THR 12 Cb 0.01 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3gga s THR 12 CO 0.11 0.12 -0.05 0.27 -0.69 0.00 0.00 174.62 174.38 3gga s ILE 13 N 1.69 3.45 -0.17 1.82 -4.36 0.23 -2.72 121.20 121.14 3gga s ILE 13 Ca 0.33 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 3gga s ILE 13 Cb -0.16 -2.73 0.02 0.00 1.25 0.00 0.00 42.46 40.84 3gga s ILE 13 CO 0.13 -0.11 -0.19 -0.75 0.24 0.00 0.00 174.94 174.25 3gga s LYS 14 N -2.90 2.87 -0.11 0.37 2.20 0.16 -0.38 119.74 121.96 3gga s LYS 14 Ca 0.26 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 3gga s LYS 14 Cb -0.09 -2.47 0.05 0.00 -1.51 0.00 0.00 37.83 33.81 3gga s LYS 14 CO 0.17 -0.20 0.22 -1.50 -0.36 0.00 0.00 175.35 173.69 3gga s ILE 15 N 1.28 -0.24 -1.26 5.43 2.07 -0.56 -0.74 121.20 127.18 3gga s ILE 15 Ca 0.04 0.25 -0.05 0.00 -1.41 0.00 0.00 60.65 59.48 3gga s ILE 15 Cb -0.13 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.09 3gga s ILE 15 CO -0.12 0.10 1.08 0.61 -1.91 0.00 0.00 174.94 174.71 3gga n GLY 16 N 4.90 -0.44 4.39 1.50 0.00 -1.26 -2.22 105.19 112.06 3gga n GLY 16 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.63 1.26 3.74 -0.02 0.00 -1.26 -4.96 105.19 102.32 3gga n GLY 17 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 4.64 -0.15 1.61 -0.21 -0.94 -5.05 119.66 119.56 3gga s GLN 18 Ca 0.00 1.32 -0.21 0.00 0.02 0.00 0.00 55.36 56.49 3gga s GLN 18 Cb 0.00 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 3gga s GLN 18 CO 0.00 0.29 0.61 -0.51 -2.12 0.00 0.00 175.29 173.56 3gga s LEU 19 N -0.23 4.22 0.07 2.90 1.43 -1.26 -1.50 118.68 124.31 3gga s LEU 19 Ca 0.43 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 3gga s LEU 19 Cb -0.23 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 3gga s LEU 19 CO 0.28 -0.16 -0.06 -0.54 0.23 0.00 0.00 176.35 176.10 3gga s LYS 20 N 1.31 0.66 -0.20 1.70 1.02 0.49 -4.98 119.74 119.74 3gga s LYS 20 Ca 0.30 -1.11 -0.12 0.00 0.02 0.00 0.00 55.97 55.06 3gga s LYS 20 Cb -0.16 -0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.01 3gga s LYS 20 CO 0.12 -0.03 0.21 -2.00 -0.92 0.00 0.00 175.35 172.73 3gga s GLU 21 N -3.13 4.18 0.03 1.68 2.12 -1.26 0.75 118.70 123.06 3gga s GLU 21 Ca 0.03 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.27 3gga s GLU 21 Cb 0.01 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 3gga s GLU 21 CO -0.05 0.19 -0.05 0.00 -0.54 0.00 0.00 175.26 174.82 3gga s ALA 22 N 0.67 0.27 -0.20 6.30 0.00 -0.31 -4.52 121.76 123.96 3gga s ALA 22 Ca 0.11 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 3gga s ALA 22 Cb -0.13 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3gga s ALA 22 CO 0.02 -0.11 0.59 -1.17 0.00 0.00 0.00 175.76 175.09 3gga s LEU 23 N -1.50 4.14 -0.42 0.00 2.96 0.66 -1.43 118.68 123.10 3gga s LEU 23 Ca -0.14 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 3gga s LEU 23 Cb -0.10 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.78 3gga s LEU 23 CO -0.01 -0.25 1.29 -0.76 -1.32 0.00 0.00 176.35 175.30 3gga s LEU 24 N 1.86 3.66 -0.33 -0.68 1.43 -0.52 -0.41 118.68 123.69 3gga s LEU 24 Ca 0.27 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3gga s LEU 24 Cb -0.16 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 3gga s LEU 24 CO 0.10 -1.30 0.09 -0.62 0.23 0.00 0.00 176.35 174.85 3gga s ASP 25 N 3.17 4.31 0.48 2.29 2.15 -0.24 -4.81 116.67 124.01 3gga s ASP 25 Ca 0.55 -1.89 0.27 0.00 0.43 0.00 0.00 52.55 51.91 3gga s ASP 25 Cb -0.12 -1.17 1.06 0.00 -0.30 0.00 0.00 42.92 42.39 3gga s ASP 25 CO 0.30 -0.39 1.88 0.71 -0.17 0.00 0.00 175.17 177.49 3gga h THR 26 N 6.48 0.38 -0.22 1.71 1.35 -1.94 -2.67 112.91 118.01 3gga h THR 26 Ca -0.09 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3gga h THR 26 Cb 1.01 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3gga h THR 26 CO 0.49 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 3gga n GLY 27 N 0.11 0.05 3.34 5.82 0.00 -1.26 -4.77 105.19 108.48 3gga n GLY 27 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.70 2.75 0.07 4.61 0.00 -1.00 -5.01 121.76 121.47 3gga s ALA 28 Ca 0.16 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 3gga s ALA 28 Cb 0.08 -1.50 -0.11 0.00 0.00 0.00 0.00 23.12 21.60 3gga s ALA 28 CO 0.11 -0.13 1.52 -0.44 0.00 0.00 0.00 175.76 176.82 3gga h ASP 29 N 7.49 0.30 -1.65 0.00 5.19 -1.87 0.40 116.42 126.28 3gga h ASP 29 Ca -0.35 -0.28 -0.52 0.00 -0.62 0.00 0.00 57.03 55.25 3gga h ASP 29 Cb 1.18 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.55 3gga h ASP 29 CO 0.59 0.51 -0.45 -1.81 -3.12 0.00 0.00 179.24 174.96 3gga s ASP 30 N -5.77 4.81 -0.20 6.45 1.01 -1.26 -3.02 116.67 118.69 3gga s ASP 30 Ca -0.14 -0.82 -0.06 0.00 0.71 0.00 0.00 52.55 52.24 3gga s ASP 30 Cb 0.06 -0.62 -0.03 0.00 1.01 0.00 0.00 42.92 43.35 3gga s ASP 30 CO 0.72 -0.52 0.03 -0.89 0.21 0.00 0.00 175.17 174.72 3gga s THR 31 N -2.48 4.28 -0.09 -1.27 2.01 -1.26 -3.22 115.64 113.61 3gga s THR 31 Ca 0.43 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 62.23 3gga s THR 31 Cb -0.01 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.58 3gga s THR 31 CO 0.25 0.43 -0.06 0.54 -0.69 0.00 0.00 174.62 175.09 3gga s VAL 32 N 0.84 0.82 0.12 3.82 0.11 -0.59 -0.74 120.40 124.78 3gga s VAL 32 Ca 0.02 -0.20 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 3gga s VAL 32 Cb -0.14 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3gga s VAL 32 CO 0.02 0.32 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.20 3gga s LEU 33 N 1.52 2.80 1.11 2.54 1.43 0.57 -0.71 118.68 127.94 3gga s LEU 33 Ca 0.00 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 3gga s LEU 33 Cb -0.13 -1.62 0.25 0.00 0.03 0.00 0.00 46.19 44.72 3gga s LEU 33 CO -0.05 0.17 1.05 -1.61 0.23 0.00 0.00 176.35 176.15 3gga s GLU 34 N -2.20 -0.49 -0.28 1.70 2.02 -1.26 -1.81 118.70 116.38 3gga s GLU 34 Ca 0.19 0.76 -0.42 0.00 0.02 0.00 0.00 54.97 55.53 3gga s GLU 34 Cb -0.11 -1.61 -0.17 0.00 0.10 0.00 0.00 34.13 32.34 3gga s GLU 34 CO 0.11 -3.42 1.61 0.39 0.02 0.00 0.00 175.26 173.97 3gga n GLU 35 N -4.69 0.74 -3.84 1.61 -0.58 -1.24 -4.54 120.64 108.09 3gga n GLU 35 Ca 0.04 0.27 -0.07 0.00 -0.42 0.00 0.00 57.16 56.98 3gga n GLU 35 Cb 0.55 -1.88 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 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 2.76 1.74 -0.06 3.49 0.23 -1.26 -5.06 119.30 121.14 3gga s MET 36 Ca 0.98 -0.98 -0.04 0.00 -1.03 0.00 0.00 55.69 54.62 3gga s MET 36 Cb -1.20 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 32.65 3gga s MET 36 CO 0.68 -0.80 0.14 -1.54 -2.03 0.00 0.00 175.02 171.46 3gga s SER 37 N -2.94 6.20 0.03 -1.18 1.04 -1.26 -5.04 113.70 110.55 3gga s SER 37 Ca 0.12 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.91 3gga s SER 37 Cb -0.05 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 3gga s SER 37 CO 0.07 0.33 -0.05 -0.76 0.98 0.00 0.00 173.24 173.81 3gga s LEU 38 N -1.46 2.28 0.40 2.42 1.43 -1.26 -4.99 118.68 117.50 3gga s LEU 38 Ca 0.21 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3gga s LEU 38 Cb -0.12 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.05 3gga s LEU 38 CO 0.11 -0.30 0.73 -2.16 0.23 0.00 0.00 176.35 174.96 3gga s PRO 39 N -1.79 3.69 0.00 1.29 0.04 -1.26 -4.99 135.00 131.98 3gga s PRO 39 Ca -0.11 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.23 3gga s PRO 39 Cb -0.08 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.02 3gga s PRO 39 CO -0.01 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.41 3gga n GLY 40 N -1.49 -1.93 3.87 0.56 0.00 -1.26 -4.98 105.19 99.96 3gga n GLY 40 Ca 0.01 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.71 2.82 0.10 1.61 0.52 -1.26 -5.10 118.95 116.93 3gga s ARG 41 Ca 0.00 0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 55.64 3gga s ARG 41 Cb 0.00 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.47 3gga s ARG 41 CO 0.00 -1.08 0.25 1.67 0.02 0.00 0.00 175.30 176.16 3gga s TRP 42 N -3.30 0.05 0.12 -0.53 1.48 -1.26 -4.53 118.94 110.97 3gga s TRP 42 Ca 0.58 -0.45 0.10 0.00 -1.06 0.00 0.00 56.10 55.27 3gga s TRP 42 Cb -0.12 0.03 -0.04 0.00 -1.16 0.00 0.00 33.47 32.18 3gga s TRP 42 CO 0.52 -0.58 -0.24 0.15 -4.06 0.00 0.00 176.95 172.74 3gga s LYS 43 N -3.81 1.28 0.41 3.25 1.02 -1.06 -4.94 119.74 115.91 3gga s LYS 43 Ca 0.04 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.53 3gga s LYS 43 Cb 0.04 -1.68 -0.09 0.00 -0.52 0.00 0.00 37.83 35.58 3gga s LYS 43 CO -0.11 0.39 1.02 -1.25 -0.92 0.00 0.00 175.35 174.48 3gga s PRO 44 N -2.01 4.15 0.03 -1.68 0.04 -1.26 -0.32 135.00 133.96 3gga s PRO 44 Ca 0.11 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.55 3gga s PRO 44 Cb -0.10 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 3gga s PRO 44 CO 0.05 -0.13 -0.06 0.21 0.04 0.00 0.00 177.00 177.11 3gga s LYS 45 N -2.72 0.45 -0.17 4.56 2.20 -0.11 -4.85 119.74 119.10 3gga s LYS 45 Ca 0.60 -0.68 -0.04 0.00 -0.36 0.00 0.00 55.97 55.49 3gga s LYS 45 Cb -0.18 -0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 35.95 3gga s LYS 45 CO 0.23 0.02 -0.04 1.41 -0.36 0.00 0.00 175.35 176.61 3gga s MET 46 N -1.47 3.61 -0.00 4.03 -2.45 -1.26 -0.12 119.30 121.63 3gga s MET 46 Ca -0.11 -0.54 0.05 0.00 -1.25 0.00 0.00 55.69 53.83 3gga s MET 46 Cb -0.10 -2.93 -0.01 0.00 1.25 0.00 0.00 34.83 33.04 3gga s MET 46 CO -0.00 0.15 -0.15 0.96 1.05 0.00 0.00 175.02 177.03 3gga s ILE 47 N 0.60 1.20 0.06 10.11 -4.36 -0.72 -4.97 121.20 123.12 3gga s ILE 47 Ca -0.03 -0.72 0.08 0.00 -0.26 0.00 0.00 60.65 59.72 3gga s ILE 47 Cb -0.14 -1.01 -0.03 0.00 1.25 0.00 0.00 42.46 42.52 3gga s ILE 47 CO 0.02 0.28 -0.19 -0.83 0.24 0.00 0.00 174.94 174.46 3gga s GLY 48 N -0.51 1.59 0.00 6.27 0.00 -1.26 -1.50 107.32 111.90 3gga s GLY 48 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.53 3gga s GLY 48 CO -0.00 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.55 3gga n GLY 49 N 1.37 5.01 3.72 0.20 0.00 -0.31 -4.98 105.19 110.20 3gga n GLY 49 Ca -0.16 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.17 2.09 0.00 -0.61 -1.09 -1.26 -2.09 121.20 118.08 3gga s ILE 50 Ca 0.00 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 3gga s ILE 50 Cb 0.00 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 3gga s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 3gga n GLY 51 N 3.69 1.64 0.00 6.18 0.00 -1.26 -4.93 105.19 110.51 3gga n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.37 3.62 -0.02 0.00 -0.89 -5.09 105.19 101.18 3gga n GLY 52 Ca 0.00 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.28 2.77 0.13 1.61 0.40 -1.26 -1.16 117.98 120.19 3gga s PHE 53 Ca 0.00 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 3gga s PHE 53 Cb 0.00 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 3gga s PHE 53 CO 0.00 0.50 -0.13 0.96 0.70 0.00 0.00 175.22 177.25 3gga s ILE 54 N -1.59 1.28 -0.01 0.64 -4.36 -0.57 -4.97 121.20 111.62 3gga s ILE 54 Ca 0.25 -1.77 -0.23 0.00 -0.26 0.00 0.00 60.65 58.65 3gga s ILE 54 Cb -0.10 -1.56 -0.05 0.00 1.25 0.00 0.00 42.46 42.00 3gga s ILE 54 CO 0.17 -0.48 0.69 -0.75 0.24 0.00 0.00 174.94 174.80 3gga s LYS 55 N -2.85 4.42 0.27 0.37 2.20 -1.26 -1.75 119.74 121.13 3gga s LYS 55 Ca 0.10 0.89 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 3gga s LYS 55 Cb -0.04 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 3gga s LYS 55 CO 0.02 0.25 0.08 0.14 -0.36 0.00 0.00 175.35 175.48 3gga s VAL 56 N 0.15 0.69 -0.23 4.02 -7.23 0.83 -4.54 120.40 114.09 3gga s VAL 56 Ca 0.36 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.44 3gga s VAL 56 Cb -0.19 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 3gga s VAL 56 CO 0.19 -0.03 0.10 -0.13 -0.31 0.00 0.00 175.10 174.92 3gga s ARG 57 N -4.00 3.87 -0.40 4.82 0.52 0.15 -0.94 118.95 122.98 3gga s ARG 57 Ca 0.37 -0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 55.04 3gga s ARG 57 Cb 0.08 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.19 3gga s ARG 57 CO 0.13 0.01 0.39 -1.14 0.02 0.00 0.00 175.30 174.72 3gga s GLN 58 N 1.11 3.21 -0.16 3.54 0.74 0.57 0.12 119.66 128.79 3gga s GLN 58 Ca 0.05 -0.70 -0.07 0.00 0.05 0.00 0.00 55.36 54.70 3gga s GLN 58 Cb -0.14 -3.92 -0.04 0.00 1.10 0.00 0.00 33.01 30.01 3gga s GLN 58 CO 0.04 -0.74 0.06 0.71 -0.55 0.00 0.00 175.29 174.81 3gga s TYR 59 N 2.03 3.28 0.11 1.67 1.51 -0.01 -2.55 117.35 123.39 3gga s TYR 59 Ca 0.11 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.31 3gga s TYR 59 Cb -0.17 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3gga s TYR 59 CO 0.12 0.26 0.27 -0.51 -1.11 0.00 0.00 175.55 174.58 3gga s ASP 60 N 0.05 6.37 -1.14 2.29 1.01 -1.26 -0.17 116.67 123.81 3gga s ASP 60 Ca 0.06 0.28 -0.10 0.00 0.71 0.00 0.00 52.55 53.49 3gga s ASP 60 Cb -0.12 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 3gga s ASP 60 CO 0.01 0.09 0.83 0.00 0.21 0.00 0.00 175.17 176.32 3gga n GLN 61 N -0.13 -2.62 -4.15 8.23 6.02 -1.12 -4.93 117.38 118.68 3gga n GLN 61 Ca -0.05 0.67 -0.35 0.00 -0.01 0.00 0.00 57.00 57.25 3gga n GLN 61 Cb 0.52 -5.08 -0.08 0.00 1.02 0.00 0.00 30.24 26.63 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 -3.47 4.81 -0.19 5.09 -1.09 0.29 -4.82 121.20 121.81 3gga s ILE 62 Ca 0.35 -0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 3gga s ILE 62 Cb -0.09 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3gga s ILE 62 CO 0.80 0.54 0.37 -0.22 -1.23 0.00 0.00 174.94 175.21 3gga s LEU 63 N -1.15 4.17 -0.02 2.97 2.96 -1.26 -0.98 118.68 125.36 3gga s LEU 63 Ca 0.16 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 3gga s LEU 63 Cb -0.12 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3gga s LEU 63 CO 0.06 -0.04 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.25 3gga s ILE 64 N 1.16 1.33 -0.21 6.68 1.01 0.43 -4.54 121.20 127.05 3gga s ILE 64 Ca 0.18 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3gga s ILE 64 Cb -0.14 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3gga s ILE 64 CO 0.07 0.38 0.05 -0.70 0.00 0.00 0.00 174.94 174.74 3gga s GLU 65 N -0.26 3.79 -0.21 2.79 2.12 0.08 -1.60 118.70 125.41 3gga s GLU 65 Ca 0.03 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.94 3gga s GLU 65 Cb -0.08 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.15 3gga s GLU 65 CO 0.00 0.07 -0.08 0.42 -0.54 0.00 0.00 175.26 175.13 3gga s ILE 66 N 0.90 1.61 -1.43 -3.70 1.01 -0.40 0.40 121.20 119.59 3gga s ILE 66 Ca 0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 3gga s ILE 66 Cb -0.14 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.57 3gga s ILE 66 CO 0.02 0.05 0.42 0.00 0.00 0.00 0.00 174.94 175.43 3gga n GLY 68 N -1.98 0.64 3.53 0.00 0.00 -1.26 -4.98 105.19 101.13 3gga n GLY 68 Ca -0.29 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.76 3.16 0.34 1.61 4.02 -0.25 -5.09 115.29 117.32 3gga s HIS 69 Ca 0.00 -0.15 -0.26 0.00 1.02 0.00 0.00 55.06 55.67 3gga s HIS 69 Cb 0.00 -2.27 -0.09 0.00 -1.02 0.00 0.00 32.58 29.19 3gga s HIS 69 CO 0.00 -0.22 1.00 0.15 1.02 0.00 0.00 174.74 176.70 3gga s LYS 70 N 1.51 4.44 -0.13 1.40 1.02 -1.26 -1.28 119.74 125.45 3gga s LYS 70 Ca 0.06 1.46 -0.29 0.00 0.02 0.00 0.00 55.97 57.22 3gga s LYS 70 Cb -0.15 -2.77 0.08 0.00 -0.52 0.00 0.00 37.83 34.47 3gga s LYS 70 CO 0.06 0.12 0.73 0.00 -0.92 0.00 0.00 175.35 175.34 3gga s ALA 71 N -1.56 -1.79 -0.04 5.17 0.00 -0.63 -4.74 121.76 118.17 3gga s ALA 71 Ca 0.52 1.55 0.04 0.00 0.00 0.00 0.00 51.96 54.07 3gga s ALA 71 Cb -0.22 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 3gga s ALA 71 CO 0.28 -0.35 -0.15 0.42 0.00 0.00 0.00 175.76 175.95 3gga s ILE 72 N -0.71 1.28 -0.51 0.00 1.01 -1.26 -0.43 121.20 120.58 3gga s ILE 72 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3gga s ILE 72 Cb -0.02 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.35 3gga s ILE 72 CO 0.06 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3gga n GLY 73 N 3.11 -1.15 3.71 6.18 0.00 -0.15 -4.90 105.19 111.98 3gga n GLY 73 Ca -0.18 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.00 4.58 -0.16 2.61 2.01 -1.26 -0.55 115.64 119.87 3gga s THR 74 Ca 0.00 1.85 0.02 0.00 0.31 0.00 0.00 61.69 63.87 3gga s THR 74 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.34 3gga s THR 74 CO 0.00 0.14 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.17 3gga s VAL 75 N 1.05 2.04 -0.08 3.82 1.01 0.76 -4.46 120.40 124.55 3gga s VAL 75 Ca 0.54 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3gga s VAL 75 Cb -0.24 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3gga s VAL 75 CO 0.28 0.54 0.40 -0.76 0.00 0.00 0.00 175.10 175.57 3gga s LEU 76 N 1.07 4.36 -0.10 3.92 1.43 0.08 -0.83 118.68 128.60 3gga s LEU 76 Ca -0.01 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 3gga s LEU 76 Cb -0.14 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3gga s LEU 76 CO -0.08 0.17 -0.22 -0.69 0.23 0.00 0.00 176.35 175.77 3gga s VAL 77 N -0.17 1.91 -0.02 -1.59 1.01 0.12 -0.31 120.40 121.34 3gga s VAL 77 Ca 0.23 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 3gga s VAL 77 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3gga s VAL 77 CO 0.10 0.53 0.33 0.61 0.00 0.00 0.00 175.10 176.67 3gga n GLY 78 N 3.71 0.40 2.62 4.51 0.00 -0.75 0.33 105.19 116.00 3gga n GLY 78 Ca -0.20 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.24 2.21 -3.25 1.61 -0.04 -1.26 -3.64 135.00 130.39 3gga n PRO 79 Ca 0.01 -1.57 -0.37 0.00 -0.04 0.00 0.00 63.50 61.53 3gga n PRO 79 Cb 0.14 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 31.02 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 3.39 4.71 0.39 0.52 -1.32 -1.26 -4.99 115.64 117.09 3gga s THR 80 Ca 0.44 1.17 0.25 0.00 -1.21 0.00 0.00 61.69 62.33 3gga s THR 80 Cb 0.11 -3.87 0.27 0.00 -1.51 0.00 0.00 72.50 67.50 3gga s THR 80 CO -0.03 0.42 2.03 1.55 -2.21 0.00 0.00 174.62 176.38 3gga h PRO 81 N 4.10 0.00 -3.82 7.08 0.13 -1.99 -3.44 132.00 134.06 3gga h PRO 81 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 3gga h PRO 81 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 3gga h PRO 81 CO 0.64 0.15 -0.69 0.54 -0.23 0.00 0.00 178.00 178.42 3gga s VAL 82 N -4.19 0.06 0.13 1.56 0.11 -1.26 -5.07 120.40 111.74 3gga s VAL 82 Ca -0.03 -0.49 -0.31 0.00 -2.93 0.00 0.00 61.98 58.22 3gga s VAL 82 Cb 0.13 -0.17 -0.09 0.00 -1.53 0.00 0.00 36.38 34.72 3gga s VAL 82 CO 0.61 -0.27 1.60 0.20 -3.33 0.00 0.00 175.10 173.91 3gga s ASN 83 N -0.80 6.59 -0.09 3.54 0.01 -1.26 -4.70 114.94 118.23 3gga s ASN 83 Ca -0.09 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.64 3gga s ASN 83 Cb -0.05 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.05 3gga s ASN 83 CO -0.00 -0.85 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.03 3gga s ILE 84 N 1.70 0.93 -0.42 0.60 1.01 0.11 -0.25 121.20 124.88 3gga s ILE 84 Ca 0.72 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 3gga s ILE 84 Cb -0.42 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3gga s ILE 84 CO 0.32 0.34 0.40 -0.63 0.00 0.00 0.00 174.94 175.37 3gga s ILE 85 N 1.40 5.13 0.65 2.92 -1.09 0.45 -1.55 121.20 129.11 3gga s ILE 85 Ca -0.01 -0.45 -0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3gga s ILE 85 Cb -0.13 -4.02 0.13 0.00 -1.58 0.00 0.00 42.46 36.86 3gga s ILE 85 CO -0.04 -0.41 0.89 0.61 -1.23 0.00 0.00 174.94 174.76 3gga n GLY 86 N 5.13 0.63 0.28 6.18 0.00 -1.20 -1.08 105.19 115.13 3gga n GLY 86 Ca -0.08 -2.02 0.12 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 1.61 3.08 -0.26 -2.19 114.38 116.62 3gga h ARG 87 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3gga h ARG 87 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 3gga h ARG 87 CO 0.31 0.00 -0.03 -2.95 -1.07 0.00 0.00 179.97 176.24 3gga h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.78 -2.79 115.58 116.99 3gga h ASN 88 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.17 3gga h ASN 88 Cb 0.02 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.23 3gga h ASN 88 CO -0.00 0.03 -1.95 0.18 0.07 0.00 0.00 177.43 175.76 3gga n LEU 89 N -4.12 0.00 0.06 6.14 4.77 -0.86 -4.50 117.00 118.49 3gga n LEU 89 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 3gga n LEU 89 Cb 0.11 0.28 0.28 0.00 -2.33 0.00 0.00 43.42 41.76 3gga n LEU 89 CO 0.31 0.28 0.79 -0.07 -1.33 0.00 0.00 177.39 177.36 3gga h LEU 90 N 0.00 0.35 -0.87 2.23 3.38 -1.31 -2.17 115.31 116.92 3gga h LEU 90 Ca -0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3gga h LEU 90 Cb 1.64 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 3gga h LEU 90 CO 0.02 0.58 0.46 0.71 0.09 0.00 0.00 178.44 180.30 3gga h THR 91 N 0.32 1.26 -0.35 0.22 1.35 -1.73 -1.69 112.91 112.28 3gga h THR 91 Ca 0.05 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3gga h THR 91 Cb 0.57 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 3gga h THR 91 CO 0.04 0.29 0.14 1.56 -0.25 0.00 0.00 175.52 177.30 3gga h GLN 92 N 1.22 0.50 -0.12 4.72 1.08 -1.62 -2.14 115.11 118.75 3gga h GLN 92 Ca 0.30 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 3gga h GLN 92 Cb 0.05 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3gga h GLN 92 CO -0.05 0.42 0.00 0.44 -0.95 0.00 0.00 178.83 178.69 3gga n ILE 93 N -4.39 0.14 -2.11 2.54 -5.35 -1.09 -4.92 119.36 104.19 3gga n ILE 93 Ca 0.02 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3gga n ILE 93 Cb 0.14 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 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 1.16 0.55 3.67 3.28 0.00 -0.80 -5.02 105.19 108.03 3gga n GLY 94 Ca 0.17 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 1.79 1.97 -0.14 0.00 -4.23 -1.26 -4.71 115.64 109.07 3gga s THR 96 Ca 0.32 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.59 3gga s THR 96 Cb -0.16 -2.00 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 3gga s THR 96 CO 0.12 -0.38 0.33 -0.22 -0.54 0.00 0.00 174.62 173.92 3gga s LEU 97 N -2.98 4.28 -0.01 4.79 2.96 -1.26 -5.09 118.68 121.37 3gga s LEU 97 Ca 0.20 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 3gga s LEU 97 Cb -0.05 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 3gga s LEU 97 CO 0.08 0.12 -0.08 0.20 -1.32 0.00 0.00 176.35 175.35 3gga s ASN 98 N 0.29 0.91 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.39 3gga s ASN 98 Ca 0.19 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 3gga s ASN 98 Cb -0.14 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 40.99 3gga s ASN 98 CO 0.06 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.90