#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggx s GLN 2 N 0.00 3.73 -0.15 0.54 0.74 -1.26 -5.10 119.66 118.16 3ggx s GLN 2 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 55.36 55.39 3ggx s GLN 2 Cb 0.00 -3.26 0.04 0.00 1.10 0.00 0.00 33.01 30.89 3ggx s GLN 2 CO 0.00 0.63 -0.07 0.42 -0.55 0.00 0.00 175.29 175.73 3ggx s ILE 3 N -0.67 1.14 0.94 -2.34 1.01 -1.26 -5.13 121.20 114.90 3ggx s ILE 3 Ca 0.16 -0.57 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 3ggx s ILE 3 Cb -0.13 -1.26 0.17 0.00 0.01 0.00 0.00 42.46 41.25 3ggx s ILE 3 CO 0.05 0.21 1.26 0.42 0.00 0.00 0.00 174.94 176.87 3ggx s THR 4 N 1.63 1.97 -0.05 2.92 -4.23 -1.26 -5.03 115.64 111.59 3ggx s THR 4 Ca 0.02 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 3ggx s THR 4 Cb -0.14 -2.94 0.10 0.00 1.34 0.00 0.00 72.50 70.86 3ggx s THR 4 CO -0.08 0.00 1.03 0.18 -0.54 0.00 0.00 174.62 175.21 3ggx n LEU 5 N -3.74 1.98 0.29 4.79 4.77 -1.26 -4.62 117.00 119.21 3ggx n LEU 5 Ca 0.13 -2.27 0.15 0.00 -0.03 0.00 0.00 56.01 53.98 3ggx n LEU 5 Cb 0.60 -0.15 0.90 0.00 -2.33 0.00 0.00 43.42 42.43 3ggx n LEU 5 CO 0.49 0.54 1.12 -0.50 -1.33 0.00 0.00 177.39 177.72 3ggx h TRP 6 N 0.00 0.00 -3.64 -1.77 4.06 -2.07 -3.41 115.95 109.13 3ggx h TRP 6 Ca 0.00 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.30 3ggx h TRP 6 Cb 0.72 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.68 3ggx h TRP 6 CO 0.00 0.00 -0.84 -0.65 -3.56 0.00 0.00 178.44 173.39 3ggx s GLN 7 N -4.66 1.39 0.12 0.49 1.11 -1.26 -5.10 119.66 111.74 3ggx s GLN 7 Ca -0.05 -1.38 -0.35 0.00 0.01 0.00 0.00 55.36 53.58 3ggx s GLN 7 Cb 0.15 -1.77 -0.16 0.00 -1.01 0.00 0.00 33.01 30.23 3ggx s GLN 7 CO 0.56 0.40 1.38 0.54 0.01 0.00 0.00 175.29 178.18 3ggx n ARG 8 N 0.68 1.44 -2.01 2.91 1.74 -1.26 -4.81 116.66 115.35 3ggx n ARG 8 Ca -0.16 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 3ggx n ARG 8 Cb 0.54 -2.18 -0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3ggx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ggx n PRO 9 N 2.62 2.88 -3.13 5.56 -0.04 -1.26 -4.94 135.00 136.70 3ggx n PRO 9 Ca 0.17 -2.80 -0.39 0.00 -0.04 0.00 0.00 63.50 60.44 3ggx n PRO 9 Cb 0.23 -3.36 -0.05 0.00 -0.04 0.00 0.00 33.50 30.28 3ggx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ggx s LEU 10 N 3.08 4.27 0.01 1.53 1.43 -1.26 -2.28 118.68 125.45 3ggx s LEU 10 Ca 0.50 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 3ggx s LEU 10 Cb 0.10 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 3ggx s LEU 10 CO -0.02 -0.12 -0.04 0.68 0.23 0.00 0.00 176.35 177.08 3ggx s VAL 11 N 1.01 0.26 0.23 -1.59 -7.23 -0.06 -4.89 120.40 108.12 3ggx s VAL 11 Ca 0.33 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.87 3ggx s VAL 11 Cb -0.17 -0.25 -0.14 0.00 0.56 0.00 0.00 36.38 36.38 3ggx s VAL 11 CO 0.14 -0.04 1.30 0.41 -0.31 0.00 0.00 175.10 176.60 3ggx n THR 12 N 2.69 1.09 -4.17 5.32 -1.04 -1.26 -2.28 114.28 114.63 3ggx n THR 12 Ca -0.15 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.45 3ggx n THR 12 Cb 0.58 -1.27 -0.11 0.00 -1.82 0.00 0.00 70.33 67.72 3ggx n THR 12 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3ggx s ILE 13 N -0.25 0.89 -0.06 12.58 -4.36 -0.62 -1.47 121.20 127.91 3ggx s ILE 13 Ca 0.68 -1.66 0.04 0.00 -0.26 0.00 0.00 60.65 59.44 3ggx s ILE 13 Cb -0.70 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 41.63 3ggx s ILE 13 CO 0.52 -0.60 -0.17 -0.75 0.24 0.00 0.00 174.94 174.18 3ggx s LYS 14 N -2.91 1.95 -0.10 0.37 2.20 -0.03 -1.84 119.74 119.38 3ggx s LYS 14 Ca 0.06 -0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 55.02 3ggx s LYS 14 Cb -0.02 -1.63 0.04 0.00 -1.51 0.00 0.00 37.83 34.72 3ggx s LYS 14 CO -0.01 0.18 0.23 -1.50 -0.36 0.00 0.00 175.35 173.89 3ggx s ILE 15 N 0.24 -0.04 -1.63 5.43 2.07 0.30 -1.27 121.20 126.31 3ggx s ILE 15 Ca -0.09 0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 3ggx s ILE 15 Cb -0.14 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.10 3ggx s ILE 15 CO 0.04 0.06 0.13 0.61 -1.91 0.00 0.00 174.94 173.87 3ggx n GLY 16 N 4.18 -0.44 2.04 1.50 0.00 -1.26 -0.71 105.19 110.50 3ggx n GLY 16 Ca -0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3ggx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggx n GLY 17 N -1.13 0.48 3.35 -0.02 0.00 -1.26 -5.04 105.19 101.57 3ggx n GLY 17 Ca -0.20 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 3ggx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ggx s GLN 18 N -1.84 1.62 -0.09 1.61 -0.21 0.11 -5.13 119.66 115.72 3ggx s GLN 18 Ca 0.00 -1.19 -0.11 0.00 0.02 0.00 0.00 55.36 54.08 3ggx s GLN 18 Cb 0.00 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 3ggx s GLN 18 CO 0.00 0.48 0.26 -0.51 -2.12 0.00 0.00 175.29 173.39 3ggx s LEU 19 N -1.55 4.38 0.12 2.90 1.43 -1.26 -0.54 118.68 124.17 3ggx s LEU 19 Ca 0.12 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 53.78 3ggx s LEU 19 Cb -0.10 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3ggx s LEU 19 CO 0.03 0.31 0.20 -0.54 0.23 0.00 0.00 176.35 176.59 3ggx s LYS 20 N -0.70 0.96 0.29 1.70 1.02 -0.77 -5.01 119.74 117.24 3ggx s LYS 20 Ca 0.18 -1.12 -0.18 0.00 0.02 0.00 0.00 55.97 54.86 3ggx s LYS 20 Cb -0.14 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 3ggx s LYS 20 CO 0.07 -0.32 0.77 -1.21 -0.92 0.00 0.00 175.35 173.74 3ggx s GLU 21 N -3.93 4.17 0.05 1.68 2.02 -1.26 -1.58 118.70 119.85 3ggx s GLU 21 Ca 0.12 0.85 -0.18 0.00 0.02 0.00 0.00 54.97 55.78 3ggx s GLU 21 Cb 0.05 -2.62 0.04 0.00 0.10 0.00 0.00 34.13 31.70 3ggx s GLU 21 CO -0.05 0.24 0.42 0.00 0.02 0.00 0.00 175.26 175.90 3ggx s ALA 22 N -1.79 -1.03 -0.30 5.21 0.00 -0.97 -4.49 121.76 118.40 3ggx s ALA 22 Ca 0.50 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.66 3ggx s ALA 22 Cb -0.13 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3ggx s ALA 22 CO 0.19 -0.47 0.20 -1.17 0.00 0.00 0.00 175.76 174.51 3ggx s LEU 23 N -2.04 4.15 -0.28 0.00 2.96 -0.03 -0.89 118.68 122.55 3ggx s LEU 23 Ca -0.05 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 3ggx s LEU 23 Cb -0.01 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 3ggx s LEU 23 CO -0.03 -0.11 1.35 -0.76 -1.32 0.00 0.00 176.35 175.48 3ggx s LEU 24 N 1.74 3.89 -0.41 -0.68 1.43 -0.97 -0.73 118.68 122.95 3ggx s LEU 24 Ca 0.07 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 3ggx s LEU 24 Cb -0.16 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.64 3ggx s LEU 24 CO 0.10 -1.10 0.20 -0.62 0.23 0.00 0.00 176.35 175.16 3ggx s ASP 25 N 3.00 3.89 0.08 2.29 -1.08 -0.12 -4.85 116.67 119.89 3ggx s ASP 25 Ca 0.59 -2.44 0.16 0.00 -0.52 0.00 0.00 52.55 50.34 3ggx s ASP 25 Cb -0.18 -1.12 0.67 0.00 -1.46 0.00 0.00 42.92 40.83 3ggx s ASP 25 CO 0.24 -0.30 1.49 0.35 0.52 0.00 0.00 175.17 177.47 3ggx n THR 26 N 3.81 1.06 0.95 1.71 -2.24 -1.26 -1.20 114.28 117.10 3ggx n THR 26 Ca 0.06 0.29 0.05 0.00 -2.27 0.00 0.00 64.05 62.18 3ggx n THR 26 Cb 0.36 -1.12 0.14 0.00 -2.10 0.00 0.00 70.33 67.61 3ggx n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ggx n GLY 27 N -0.21 0.59 3.06 3.38 0.00 -1.26 -4.86 105.19 105.89 3ggx n GLY 27 Ca 0.03 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 3ggx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggx s ALA 28 N -1.60 1.46 0.07 4.61 0.00 -0.34 -5.04 121.76 120.92 3ggx s ALA 28 Ca 0.21 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.46 3ggx s ALA 28 Cb 0.11 -0.63 -0.15 0.00 0.00 0.00 0.00 23.12 22.45 3ggx s ALA 28 CO 0.13 0.13 1.29 -0.44 0.00 0.00 0.00 175.76 176.88 3ggx h ASP 29 N 6.97 0.70 -0.52 0.00 3.32 -1.89 0.17 116.42 125.17 3ggx h ASP 29 Ca -0.29 -0.59 -0.62 0.00 0.02 0.00 0.00 57.03 55.56 3ggx h ASP 29 Cb 1.20 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 3ggx h ASP 29 CO 0.47 1.17 -0.38 -1.81 -1.72 0.00 0.00 179.24 176.97 3ggx s ASP 30 N -6.69 4.45 -0.09 6.45 1.01 -1.26 -2.01 116.67 118.53 3ggx s ASP 30 Ca -0.12 -1.39 -0.01 0.00 0.71 0.00 0.00 52.55 51.74 3ggx s ASP 30 Cb 0.07 0.43 -0.03 0.00 1.01 0.00 0.00 42.92 44.40 3ggx s ASP 30 CO 0.84 -1.00 -0.06 -0.89 0.21 0.00 0.00 175.17 174.27 3ggx s THR 31 N -2.81 3.78 -0.10 -1.27 2.01 -1.26 -2.69 115.64 113.31 3ggx s THR 31 Ca 0.24 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3ggx s THR 31 Cb -0.01 -2.58 0.05 0.00 0.01 0.00 0.00 72.50 69.97 3ggx s THR 31 CO 0.15 0.57 0.12 0.54 -0.69 0.00 0.00 174.62 175.31 3ggx s VAL 32 N -0.49 -0.19 0.04 3.82 0.11 0.34 0.15 120.40 124.18 3ggx s VAL 32 Ca 0.08 0.24 -0.02 0.00 -2.93 0.00 0.00 61.98 59.34 3ggx s VAL 32 Cb -0.12 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3ggx s VAL 32 CO 0.02 0.04 0.22 -0.76 -3.33 0.00 0.00 175.10 171.29 3ggx s LEU 33 N 2.23 4.36 0.63 2.54 1.43 0.71 -0.31 118.68 130.27 3ggx s LEU 33 Ca 0.04 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 3ggx s LEU 33 Cb -0.13 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 3ggx s LEU 33 CO -0.06 0.20 0.78 -0.62 0.23 0.00 0.00 176.35 176.87 3ggx n GLU 34 N 0.57 0.63 -1.51 1.70 1.02 -1.26 -1.81 120.64 119.97 3ggx n GLU 34 Ca -0.07 0.25 -0.58 0.00 -0.02 0.00 0.00 57.16 56.74 3ggx n GLU 34 Cb 0.52 -2.00 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 3ggx n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3ggx n GLU 35 N -0.85 0.15 -3.82 3.49 -0.58 -0.85 -4.61 120.64 113.57 3ggx n GLU 35 Ca 0.13 0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.83 3ggx n GLU 35 Cb 0.48 -1.57 0.03 0.00 -0.57 0.00 0.00 31.44 29.81 3ggx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ggx s MET 36 N 0.05 2.27 -0.17 3.49 0.23 -1.26 -5.03 119.30 118.88 3ggx s MET 36 Ca 0.90 -1.51 -0.09 0.00 -1.03 0.00 0.00 55.69 53.95 3ggx s MET 36 Cb -1.22 0.62 -0.05 0.00 -1.53 0.00 0.00 34.83 32.65 3ggx s MET 36 CO 0.56 -1.06 0.14 -1.54 -2.03 0.00 0.00 175.02 171.09 3ggx s SER 37 N -3.10 6.28 -0.05 -1.18 1.04 -1.26 -5.07 113.70 110.36 3ggx s SER 37 Ca 0.17 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.86 3ggx s SER 37 Cb -0.05 -2.09 0.01 0.00 0.10 0.00 0.00 66.02 64.00 3ggx s SER 37 CO 0.13 0.24 0.15 -0.76 0.98 0.00 0.00 173.24 173.98 3ggx s LEU 38 N -0.05 1.44 0.54 2.42 1.43 -1.26 -5.07 118.68 118.13 3ggx s LEU 38 Ca 0.10 0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.28 3ggx s LEU 38 Cb -0.11 0.55 -0.07 0.00 0.03 0.00 0.00 46.19 46.59 3ggx s LEU 38 CO 0.00 -0.10 0.99 -2.16 0.23 0.00 0.00 176.35 175.30 3ggx s PRO 39 N -0.16 3.86 0.00 1.29 0.04 -1.26 -4.95 135.00 133.83 3ggx s PRO 39 Ca -0.02 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3ggx s PRO 39 Cb -0.02 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3ggx s PRO 39 CO 0.00 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.12 3ggx n GLY 40 N -1.84 1.18 3.95 0.56 0.00 -1.26 -4.97 105.19 102.81 3ggx n GLY 40 Ca 0.06 -2.17 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 3ggx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ggx s ARG 41 N -1.39 2.87 0.04 1.61 0.52 -1.26 -5.12 118.95 116.22 3ggx s ARG 41 Ca 0.00 -0.44 -0.03 0.00 -0.52 0.00 0.00 55.73 54.74 3ggx s ARG 41 Cb 0.00 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 3ggx s ARG 41 CO 0.00 -0.51 0.02 1.67 0.02 0.00 0.00 175.30 176.50 3ggx s TRP 42 N -2.73 0.34 -0.02 -0.53 1.48 -1.26 -4.60 118.94 111.63 3ggx s TRP 42 Ca 0.52 -0.75 0.06 0.00 -1.06 0.00 0.00 56.10 54.87 3ggx s TRP 42 Cb -0.10 -0.25 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 3ggx s TRP 42 CO 0.40 -0.35 -0.20 0.15 -4.06 0.00 0.00 176.95 172.89 3ggx s LYS 43 N -3.00 1.65 0.33 3.25 1.02 -0.47 -4.83 119.74 117.67 3ggx s LYS 43 Ca -0.02 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 54.97 3ggx s LYS 43 Cb 0.01 -1.59 -0.09 0.00 -0.52 0.00 0.00 37.83 35.64 3ggx s LYS 43 CO -0.07 0.44 1.17 -1.25 -0.92 0.00 0.00 175.35 174.72 3ggx s PRO 44 N -0.48 4.42 0.08 -1.68 0.04 -1.26 -0.29 135.00 135.83 3ggx s PRO 44 Ca 0.08 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 3ggx s PRO 44 Cb -0.08 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3ggx s PRO 44 CO -0.01 -0.03 0.06 0.21 0.04 0.00 0.00 177.00 177.28 3ggx s LYS 45 N -1.77 0.77 -0.14 4.56 2.20 -0.38 -4.89 119.74 120.08 3ggx s LYS 45 Ca 0.49 -1.20 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 3ggx s LYS 45 Cb -0.33 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.27 3ggx s LYS 45 CO 0.43 -0.20 -0.15 1.41 -0.36 0.00 0.00 175.35 176.49 3ggx s MET 46 N -3.93 2.32 0.24 4.03 -2.45 -1.26 -1.44 119.30 116.80 3ggx s MET 46 Ca 0.11 -0.57 0.12 0.00 -1.25 0.00 0.00 55.69 54.09 3ggx s MET 46 Cb 0.07 -2.09 -0.05 0.00 1.25 0.00 0.00 34.83 34.01 3ggx s MET 46 CO -0.07 -0.20 -0.21 0.96 1.05 0.00 0.00 175.02 176.54 3ggx s ILE 47 N 1.39 2.46 -0.24 10.11 -4.36 -0.83 -4.95 121.20 124.77 3ggx s ILE 47 Ca 0.03 -2.25 -0.26 0.00 -0.26 0.00 0.00 60.65 57.92 3ggx s ILE 47 Cb -0.13 -2.25 0.08 0.00 1.25 0.00 0.00 42.46 41.41 3ggx s ILE 47 CO -0.09 -0.29 0.77 -0.83 0.24 0.00 0.00 174.94 174.74 3ggx s GLY 48 N -3.18 -0.48 0.00 6.27 0.00 -1.26 -0.46 107.32 108.21 3ggx s GLY 48 Ca 0.26 2.04 0.00 0.00 0.00 0.00 0.00 44.72 47.02 3ggx s GLY 48 CO 0.13 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.49 3ggx n GLY 49 N 2.36 4.88 3.61 0.20 0.00 -1.12 -4.99 105.19 110.13 3ggx n GLY 49 Ca -0.14 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3ggx n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ggx s ILE 50 N 3.79 4.21 0.00 -0.61 1.01 -1.26 -3.36 121.20 124.98 3ggx s ILE 50 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 3ggx s ILE 50 Cb 0.00 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.99 3ggx s ILE 50 CO 0.00 -0.84 0.00 0.61 0.00 0.00 0.00 174.94 174.71 3ggx n GLY 51 N 4.66 1.32 0.00 6.18 0.00 -1.26 -5.05 105.19 111.04 3ggx n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ggx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggx n GLY 52 N -1.24 -0.06 3.41 -0.02 0.00 -1.21 -5.07 105.19 101.00 3ggx n GLY 52 Ca 0.00 -2.26 -0.26 0.00 0.00 0.00 0.00 46.02 43.51 3ggx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ggx s PHE 53 N 0.00 2.21 0.07 1.61 0.40 -1.26 -2.80 117.98 118.21 3ggx s PHE 53 Ca 0.00 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 3ggx s PHE 53 Cb 0.00 -1.08 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 3ggx s PHE 53 CO 0.00 0.49 -0.07 0.96 0.70 0.00 0.00 175.22 177.31 3ggx s ILE 54 N -1.84 0.57 -0.30 0.64 -4.36 0.39 -4.96 121.20 111.34 3ggx s ILE 54 Ca 0.21 -1.51 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 3ggx s ILE 54 Cb -0.07 -1.14 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 3ggx s ILE 54 CO 0.10 -0.65 0.49 -0.75 0.24 0.00 0.00 174.94 174.37 3ggx s LYS 55 N -2.76 3.87 0.27 0.37 2.47 -1.26 -1.97 119.74 120.73 3ggx s LYS 55 Ca 0.01 0.07 0.10 0.00 -1.56 0.00 0.00 55.97 54.59 3ggx s LYS 55 Cb -0.02 -3.72 -0.05 0.00 -1.46 0.00 0.00 37.83 32.58 3ggx s LYS 55 CO -0.03 -0.47 -0.16 0.14 0.16 0.00 0.00 175.35 174.99 3ggx s VAL 56 N 2.31 2.20 -0.18 4.02 -7.23 -0.52 -4.69 120.40 116.31 3ggx s VAL 56 Ca 0.19 -2.32 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 3ggx s VAL 56 Cb -0.16 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 3ggx s VAL 56 CO 0.11 -0.43 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.34 3ggx s ARG 57 N -3.57 3.70 -0.25 4.82 0.52 0.18 -1.25 118.95 123.09 3ggx s ARG 57 Ca 0.28 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.90 3ggx s ARG 57 Cb -0.02 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 3ggx s ARG 57 CO 0.13 0.13 0.15 -1.14 0.02 0.00 0.00 175.30 174.59 3ggx s GLN 58 N 0.68 3.95 -0.01 3.54 0.74 0.61 -1.18 119.66 127.99 3ggx s GLN 58 Ca -0.00 -0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.10 3ggx s GLN 58 Cb -0.14 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 3ggx s GLN 58 CO 0.02 -0.06 -0.03 0.71 -0.55 0.00 0.00 175.29 175.38 3ggx s TYR 59 N 1.38 2.99 0.03 1.67 1.51 -0.99 -1.37 117.35 122.58 3ggx s TYR 59 Ca 0.07 0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.21 3ggx s TYR 59 Cb -0.15 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3ggx s TYR 59 CO 0.07 0.42 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.29 3ggx s ASP 60 N -1.44 4.21 -1.17 2.29 1.01 -1.26 -1.57 116.67 118.74 3ggx s ASP 60 Ca 0.18 -0.30 -0.04 0.00 0.71 0.00 0.00 52.55 53.10 3ggx s ASP 60 Cb -0.11 -0.83 -0.02 0.00 1.01 0.00 0.00 42.92 42.96 3ggx s ASP 60 CO 0.08 0.26 0.88 0.00 0.21 0.00 0.00 175.17 176.60 3ggx n GLN 61 N 1.47 -4.32 -3.85 8.23 6.02 -1.14 -4.90 117.38 118.89 3ggx n GLN 61 Ca -0.15 0.76 -0.37 0.00 -0.01 0.00 0.00 57.00 57.23 3ggx n GLN 61 Cb 0.52 -5.51 -0.07 0.00 1.02 0.00 0.00 30.24 26.20 3ggx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ggx s ILE 62 N -3.46 5.47 -0.12 5.09 -1.09 0.53 -4.78 121.20 122.85 3ggx s ILE 62 Ca 0.19 0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.64 3ggx s ILE 62 Cb -0.04 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 3ggx s ILE 62 CO 0.77 0.58 0.41 -0.22 -1.23 0.00 0.00 174.94 175.24 3ggx s LEU 63 N -0.70 4.29 -0.01 2.97 2.96 -1.26 -1.47 118.68 125.45 3ggx s LEU 63 Ca 0.13 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 3ggx s LEU 63 Cb -0.12 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 3ggx s LEU 63 CO 0.03 0.07 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.39 3ggx s ILE 64 N 0.40 0.85 -0.46 6.68 1.01 0.23 -4.62 121.20 125.28 3ggx s ILE 64 Ca 0.23 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 3ggx s ILE 64 Cb -0.15 -0.72 0.09 0.00 0.01 0.00 0.00 42.46 41.70 3ggx s ILE 64 CO 0.08 0.24 0.36 -0.70 0.00 0.00 0.00 174.94 174.93 3ggx s GLU 65 N -0.20 2.80 -0.27 2.79 2.12 -0.39 -1.69 118.70 123.85 3ggx s GLU 65 Ca 0.03 -1.48 -0.18 0.00 0.36 0.00 0.00 54.97 53.71 3ggx s GLU 65 Cb -0.05 -4.01 -0.03 0.00 0.26 0.00 0.00 34.13 30.30 3ggx s GLU 65 CO -0.00 -1.06 0.50 0.42 -0.54 0.00 0.00 175.26 174.57 3ggx s ILE 66 N 1.53 5.08 -1.38 -3.70 1.01 -0.50 -0.85 121.20 122.38 3ggx s ILE 66 Ca 0.04 0.80 -0.14 0.00 0.00 0.00 0.00 60.65 61.35 3ggx s ILE 66 Cb -0.25 -3.82 0.13 0.00 0.01 0.00 0.00 42.46 38.52 3ggx s ILE 66 CO 0.04 0.07 0.53 0.00 0.00 0.00 0.00 174.94 175.58 3ggx n GLY 68 N -1.12 0.91 3.75 0.00 0.00 -1.26 -5.04 105.19 102.43 3ggx n GLY 68 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3ggx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ggx s HIS 69 N -3.49 3.44 0.06 1.61 4.02 0.34 -5.07 115.29 116.20 3ggx s HIS 69 Ca 0.00 0.37 -0.30 0.00 1.02 0.00 0.00 55.06 56.15 3ggx s HIS 69 Cb 0.00 -2.14 -0.05 0.00 -1.02 0.00 0.00 32.58 29.38 3ggx s HIS 69 CO 0.00 0.35 1.01 0.15 1.02 0.00 0.00 174.74 177.27 3ggx s LYS 70 N 0.16 4.59 -0.03 1.40 1.02 -1.26 -1.42 119.74 124.21 3ggx s LYS 70 Ca 0.09 1.50 -0.02 0.00 0.02 0.00 0.00 55.97 57.56 3ggx s LYS 70 Cb -0.11 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 3ggx s LYS 70 CO -0.01 0.01 0.07 0.00 -0.92 0.00 0.00 175.35 174.51 3ggx s ALA 71 N 0.61 -0.18 -0.14 5.17 0.00 -0.68 -4.84 121.76 121.70 3ggx s ALA 71 Ca 0.51 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3ggx s ALA 71 Cb -0.23 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3ggx s ALA 71 CO 0.29 -0.04 -0.20 0.42 0.00 0.00 0.00 175.76 176.23 3ggx s ILE 72 N 0.09 2.24 0.05 0.00 1.01 -1.26 -0.60 121.20 122.72 3ggx s ILE 72 Ca -0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 3ggx s ILE 72 Cb -0.01 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.60 3ggx s ILE 72 CO -0.00 0.54 0.57 0.61 0.00 0.00 0.00 174.94 176.66 3ggx n GLY 73 N 3.99 0.75 3.77 6.18 0.00 -0.54 -4.87 105.19 114.47 3ggx n GLY 73 Ca -0.20 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3ggx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ggx s THR 74 N -2.23 3.20 -0.02 2.61 2.01 -1.26 -0.35 115.64 119.61 3ggx s THR 74 Ca 0.13 0.81 0.01 0.00 0.31 0.00 0.00 61.69 62.94 3ggx s THR 74 Cb -0.01 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.16 3ggx s THR 74 CO 0.02 -0.11 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.15 3ggx s VAL 75 N -1.70 0.17 -0.03 3.82 1.01 -0.61 -4.55 120.40 118.51 3ggx s VAL 75 Ca 0.69 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.59 3ggx s VAL 75 Cb -0.25 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3ggx s VAL 75 CO 0.29 0.12 0.33 -0.76 0.00 0.00 0.00 175.10 175.08 3ggx s LEU 76 N 0.78 4.44 -0.12 3.92 1.43 0.41 -2.34 118.68 127.21 3ggx s LEU 76 Ca -0.08 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.84 3ggx s LEU 76 Cb -0.11 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.65 3ggx s LEU 76 CO -0.01 0.34 -0.17 -0.69 0.23 0.00 0.00 176.35 176.04 3ggx s VAL 77 N -1.10 1.64 0.00 -1.59 1.01 -0.32 -0.21 120.40 119.83 3ggx s VAL 77 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3ggx s VAL 77 Cb -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3ggx s VAL 77 CO 0.11 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ggx n GLY 78 N 4.20 1.52 2.67 4.51 0.00 -0.75 -0.65 105.19 116.69 3ggx n GLY 78 Ca -0.19 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 3ggx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggx n PRO 79 N 0.00 2.78 -3.60 1.61 -0.04 -1.26 -2.01 135.00 132.48 3ggx n PRO 79 Ca 0.00 -2.27 -0.33 0.00 -0.04 0.00 0.00 63.50 60.86 3ggx n PRO 79 Cb 0.00 -3.03 -0.05 0.00 -0.04 0.00 0.00 33.50 30.38 3ggx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ggx s THR 80 N 3.25 5.11 -1.18 0.52 -1.32 -1.26 -4.98 115.64 115.78 3ggx s THR 80 Ca 0.54 0.32 0.21 0.00 -1.21 0.00 0.00 61.69 61.55 3ggx s THR 80 Cb 0.15 -3.63 0.26 0.00 -1.51 0.00 0.00 72.50 67.76 3ggx s THR 80 CO -0.04 0.19 1.68 -0.81 -2.21 0.00 0.00 174.62 173.43 3ggx n PRO 81 N 0.59 0.13 -3.70 7.08 -0.04 -1.26 -4.61 135.00 133.19 3ggx n PRO 81 Ca -0.06 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 3ggx n PRO 81 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 3ggx n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ggx s VAL 82 N -2.82 0.03 0.18 0.52 0.11 -1.26 -5.08 120.40 112.07 3ggx s VAL 82 Ca 0.14 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 3ggx s VAL 82 Cb 0.14 -0.70 -0.08 0.00 -1.53 0.00 0.00 36.38 34.21 3ggx s VAL 82 CO 0.36 -0.11 1.30 0.20 -3.33 0.00 0.00 175.10 173.52 3ggx s ASN 83 N -0.73 6.92 -0.21 3.54 0.01 -1.26 -4.60 114.94 118.60 3ggx s ASN 83 Ca -0.08 2.36 0.02 0.00 -0.71 0.00 0.00 52.86 54.44 3ggx s ASN 83 Cb -0.03 -2.61 0.04 0.00 0.41 0.00 0.00 41.25 39.06 3ggx s ASN 83 CO 0.04 -0.52 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.34 3ggx s ILE 84 N 0.26 1.93 -0.34 0.60 1.01 0.58 -0.85 121.20 124.39 3ggx s ILE 84 Ca 0.57 -1.18 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 3ggx s ILE 84 Cb -0.36 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.18 3ggx s ILE 84 CO 0.37 0.22 0.68 -0.63 0.00 0.00 0.00 174.94 175.58 3ggx s ILE 85 N 1.27 4.85 0.02 2.92 -1.09 0.09 -0.51 121.20 128.76 3ggx s ILE 85 Ca -0.02 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3ggx s ILE 85 Cb -0.16 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3ggx s ILE 85 CO -0.09 -0.30 0.03 0.61 -1.23 0.00 0.00 174.94 173.96 3ggx n GLY 86 N 4.55 0.95 0.18 6.18 0.00 -1.10 -0.94 105.19 115.01 3ggx n GLY 86 Ca 0.00 -1.99 0.03 0.00 0.00 0.00 0.00 46.02 44.07 3ggx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ggx h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.69 -1.42 114.38 116.96 3ggx h ARG 87 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3ggx h ARG 87 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3ggx h ARG 87 CO 0.01 0.41 -0.03 -2.95 -1.07 0.00 0.00 179.97 176.33 3ggx h ASN 88 N 0.00 0.00 0.09 7.04 -1.07 -1.65 -1.80 115.58 118.18 3ggx h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 3ggx h ASN 88 Cb 0.78 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.97 3ggx h ASN 88 CO 0.05 0.03 -2.27 0.18 0.07 0.00 0.00 177.43 175.49 3ggx n LEU 89 N -4.18 1.57 -0.25 6.14 4.77 -1.16 -4.41 117.00 119.48 3ggx n LEU 89 Ca -0.03 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.12 3ggx n LEU 89 Cb 0.12 -0.28 0.41 0.00 -2.33 0.00 0.00 43.42 41.33 3ggx n LEU 89 CO 0.32 0.69 1.22 -0.07 -1.33 0.00 0.00 177.39 178.22 3ggx h LEU 90 N 0.01 0.59 -1.13 2.23 3.38 -0.96 0.18 115.31 119.61 3ggx h LEU 90 Ca -0.51 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3ggx h LEU 90 Cb 2.06 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.70 3ggx h LEU 90 CO 0.00 0.30 0.30 0.71 0.09 0.00 0.00 178.44 179.84 3ggx h THR 91 N 0.62 1.21 0.00 0.22 1.35 -1.55 -2.38 112.91 112.39 3ggx h THR 91 Ca 0.43 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 3ggx h THR 91 Cb 0.76 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3ggx h THR 91 CO -0.19 0.25 -0.08 1.56 -0.25 0.00 0.00 175.52 176.81 3ggx h GLN 92 N 0.90 0.00 -0.11 4.72 1.08 -0.84 -1.08 115.11 119.79 3ggx h GLN 92 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3ggx h GLN 92 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3ggx h GLN 92 CO -0.03 0.08 0.00 0.44 -0.95 0.00 0.00 178.83 178.38 3ggx n ILE 93 N -4.02 0.16 -2.65 2.54 -5.35 -1.17 -4.93 119.36 103.93 3ggx n ILE 93 Ca -0.03 -0.58 -0.08 0.00 -0.27 0.00 0.00 62.75 61.79 3ggx n ILE 93 Cb 0.17 1.24 0.04 0.00 -1.74 0.00 0.00 39.64 39.36 3ggx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ggx n GLY 94 N 1.04 -0.00 3.79 3.28 0.00 -0.41 -5.01 105.19 107.89 3ggx n GLY 94 Ca 0.12 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ggx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggx s THR 96 N -0.21 1.10 -0.16 0.00 -4.23 -1.26 -4.75 115.64 106.13 3ggx s THR 96 Ca 0.15 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.40 3ggx s THR 96 Cb -0.13 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3ggx s THR 96 CO 0.04 -0.60 0.63 -0.76 -0.54 0.00 0.00 174.62 173.39 3ggx s LEU 97 N -3.21 4.19 -0.02 4.79 1.02 -1.26 -5.08 118.68 119.11 3ggx s LEU 97 Ca 0.21 0.91 0.06 0.00 0.02 0.00 0.00 54.13 55.33 3ggx s LEU 97 Cb 0.04 -2.92 -0.02 0.00 0.02 0.00 0.00 46.19 43.32 3ggx s LEU 97 CO 0.03 -0.22 -0.21 0.20 0.02 0.00 0.00 176.35 176.17 3ggx s ASN 98 N 1.06 2.46 0.00 2.29 -0.87 -1.26 -5.30 114.94 113.32 3ggx s ASN 98 Ca 0.30 -0.38 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 3ggx s ASN 98 Cb -0.16 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 3ggx s ASN 98 CO 0.12 0.25 0.00 2.22 -2.57 0.00 0.00 177.10 177.12