#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggv s GLN 2 N 0.00 2.68 -0.46 0.54 0.74 -1.26 -5.08 119.66 116.82 3ggv s GLN 2 Ca 0.00 -1.12 -0.13 0.00 0.05 0.00 0.00 55.36 54.16 3ggv s GLN 2 Cb 0.00 -3.31 0.08 0.00 1.10 0.00 0.00 33.01 30.88 3ggv s GLN 2 CO 0.00 -0.58 0.35 0.42 -0.55 0.00 0.00 175.29 174.93 3ggv s ILE 3 N 1.37 4.85 1.04 -2.34 1.01 -1.26 -5.07 121.20 120.80 3ggv s ILE 3 Ca -0.02 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 3ggv s ILE 3 Cb -0.19 -3.94 0.21 0.00 0.01 0.00 0.00 42.46 38.56 3ggv s ILE 3 CO 0.01 -0.57 1.15 0.42 0.00 0.00 0.00 174.94 175.95 3ggv s THR 4 N 1.56 1.86 -0.09 2.92 -4.23 -1.26 -5.02 115.64 111.37 3ggv s THR 4 Ca 0.04 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.68 3ggv s THR 4 Cb -0.24 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.14 3ggv s THR 4 CO 0.05 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.40 3ggv n LEU 5 N -4.20 2.11 0.06 4.79 4.77 -1.26 -4.63 117.00 118.64 3ggv n LEU 5 Ca 0.10 -2.66 0.06 0.00 -0.03 0.00 0.00 56.01 53.48 3ggv n LEU 5 Cb 0.59 -0.29 0.27 0.00 -2.33 0.00 0.00 43.42 41.66 3ggv n LEU 5 CO 0.51 0.62 0.67 0.79 -1.33 0.00 0.00 177.39 178.65 3ggv n TRP 6 N -1.11 0.29 -3.89 -1.77 7.02 -1.26 -4.62 117.44 112.10 3ggv n TRP 6 Ca 0.11 0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.63 3ggv n TRP 6 Cb 0.54 -0.72 -0.09 0.00 -2.42 0.00 0.00 31.31 28.63 3ggv n TRP 6 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 3ggv s GLN 7 N -3.18 0.67 -0.14 -0.99 -2.07 -1.26 -5.12 119.66 107.57 3ggv s GLN 7 Ca 0.01 -0.75 -0.40 0.00 -1.82 0.00 0.00 55.36 52.41 3ggv s GLN 7 Cb 0.05 0.27 -0.17 0.00 -1.09 0.00 0.00 33.01 32.07 3ggv s GLN 7 CO 0.15 -0.19 1.52 0.54 -1.32 0.00 0.00 175.29 175.99 3ggv n ARG 8 N 0.59 0.93 -1.08 9.60 1.74 -1.26 -4.74 116.66 122.44 3ggv n ARG 8 Ca -0.18 0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 3ggv n ARG 8 Cb 0.59 -1.97 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 3ggv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ggv n PRO 9 N 3.81 1.53 -3.13 5.56 -0.04 -1.26 -4.88 135.00 136.60 3ggv n PRO 9 Ca 0.23 -1.77 -0.39 0.00 -0.04 0.00 0.00 63.50 61.53 3ggv n PRO 9 Cb 0.13 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 30.69 3ggv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ggv s LEU 10 N 1.01 4.36 0.30 1.53 1.43 -1.26 -0.61 118.68 125.44 3ggv s LEU 10 Ca 0.55 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 3ggv s LEU 10 Cb 0.14 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3ggv s LEU 10 CO 0.10 -0.01 0.16 0.54 0.23 0.00 0.00 176.35 177.37 3ggv s VAL 11 N 0.34 0.31 -0.07 -1.59 0.11 0.48 -4.93 120.40 115.05 3ggv s VAL 11 Ca 0.34 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.40 3ggv s VAL 11 Cb -0.18 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.13 3ggv s VAL 11 CO 0.17 0.00 -0.09 0.28 -3.33 0.00 0.00 175.10 172.13 3ggv s THR 12 N -3.62 3.48 0.25 5.04 -1.32 -1.26 -1.67 115.64 116.54 3ggv s THR 12 Ca 0.36 -0.56 0.02 0.00 -1.21 0.00 0.00 61.69 60.31 3ggv s THR 12 Cb 0.05 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.57 3ggv s THR 12 CO 0.18 0.58 0.05 0.27 -2.21 0.00 0.00 174.62 173.49 3ggv s ILE 13 N -0.63 0.81 -0.13 5.08 -4.36 -0.38 -1.26 121.20 120.33 3ggv s ILE 13 Ca 0.09 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 58.45 3ggv s ILE 13 Cb -0.11 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.15 3ggv s ILE 13 CO 0.02 -0.17 0.04 -0.75 0.24 0.00 0.00 174.94 174.31 3ggv s LYS 14 N -3.94 0.40 -0.02 0.37 2.20 -0.53 -2.08 119.74 116.15 3ggv s LYS 14 Ca 0.33 -0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 55.88 3ggv s LYS 14 Cb 0.07 -1.45 0.03 0.00 -1.51 0.00 0.00 37.83 34.97 3ggv s LYS 14 CO 0.11 -0.49 0.03 0.96 -0.36 0.00 0.00 175.35 175.60 3ggv s ILE 15 N 2.00 -0.06 -1.47 5.43 -4.36 -0.88 -2.61 121.20 119.26 3ggv s ILE 15 Ca 0.02 0.21 -0.12 0.00 -0.26 0.00 0.00 60.65 60.51 3ggv s ILE 15 Cb -0.15 -0.08 0.06 0.00 1.25 0.00 0.00 42.46 43.54 3ggv s ILE 15 CO -0.07 0.09 1.02 0.61 0.24 0.00 0.00 174.94 176.83 3ggv n GLY 16 N 4.16 -0.50 2.37 6.27 0.00 -1.26 -1.58 105.19 114.66 3ggv n GLY 16 Ca -0.27 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3ggv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 17 N -1.76 0.69 3.49 -0.02 0.00 -1.26 -5.02 105.19 101.31 3ggv n GLY 17 Ca 0.01 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3ggv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ggv s GLN 18 N -3.99 1.76 -0.17 1.61 -0.21 -0.61 -5.12 119.66 112.93 3ggv s GLN 18 Ca 0.00 -1.40 -0.04 0.00 0.02 0.00 0.00 55.36 53.94 3ggv s GLN 18 Cb 0.00 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.99 3ggv s GLN 18 CO 0.00 0.42 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.05 3ggv s LEU 19 N -2.71 3.28 0.05 2.90 1.43 -1.26 -2.07 118.68 120.30 3ggv s LEU 19 Ca 0.22 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3ggv s LEU 19 Cb -0.08 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3ggv s LEU 19 CO 0.12 0.15 -0.05 -0.54 0.23 0.00 0.00 176.35 176.26 3ggv s LYS 20 N 0.49 0.55 0.20 1.70 1.02 -0.88 -4.99 119.74 117.83 3ggv s LYS 20 Ca -0.03 -0.96 -0.16 0.00 0.02 0.00 0.00 55.97 54.84 3ggv s LYS 20 Cb -0.14 -0.02 -0.08 0.00 -0.52 0.00 0.00 37.83 37.07 3ggv s LYS 20 CO 0.03 -0.04 0.64 -1.83 -0.92 0.00 0.00 175.35 173.23 3ggv s GLU 21 N -2.64 4.09 0.04 1.68 -1.05 -1.26 -1.25 118.70 118.30 3ggv s GLU 21 Ca -0.03 0.66 -0.09 0.00 -0.15 0.00 0.00 54.97 55.36 3ggv s GLU 21 Cb -0.02 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.82 3ggv s GLU 21 CO -0.04 0.41 0.18 0.00 0.95 0.00 0.00 175.26 176.76 3ggv s ALA 22 N -1.55 -0.33 -0.01 -0.84 0.00 -0.67 -4.47 121.76 113.89 3ggv s ALA 22 Ca 0.42 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 3ggv s ALA 22 Cb -0.15 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 3ggv s ALA 22 CO 0.20 -0.35 0.71 -1.17 0.00 0.00 0.00 175.76 175.15 3ggv s LEU 23 N -2.08 4.39 -0.63 0.00 2.96 0.29 -0.38 118.68 123.22 3ggv s LEU 23 Ca -0.05 1.29 -0.27 0.00 -0.22 0.00 0.00 54.13 54.88 3ggv s LEU 23 Cb -0.01 -3.12 0.03 0.00 0.50 0.00 0.00 46.19 43.59 3ggv s LEU 23 CO -0.04 -0.03 1.19 -0.76 -1.32 0.00 0.00 176.35 175.39 3ggv s LEU 24 N 0.30 3.46 -0.42 -0.68 1.02 0.22 -0.70 118.68 121.88 3ggv s LEU 24 Ca 0.37 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.37 3ggv s LEU 24 Cb -0.19 -2.90 0.11 0.00 0.02 0.00 0.00 46.19 43.23 3ggv s LEU 24 CO 0.20 -1.57 0.17 -0.62 0.02 0.00 0.00 176.35 174.54 3ggv s ASP 25 N 3.24 4.81 0.00 2.29 2.15 -0.43 -4.77 116.67 123.95 3ggv s ASP 25 Ca 0.38 -2.39 0.21 0.00 0.43 0.00 0.00 52.55 51.18 3ggv s ASP 25 Cb -0.08 -1.69 1.03 0.00 -0.30 0.00 0.00 42.92 41.87 3ggv s ASP 25 CO 0.21 -0.38 1.69 0.35 -0.17 0.00 0.00 175.17 176.87 3ggv n THR 26 N 3.99 0.40 -1.03 1.71 -2.24 -1.26 -1.96 114.28 113.88 3ggv n THR 26 Ca 0.03 0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.93 3ggv n THR 26 Cb 0.39 -0.74 0.31 0.00 -2.10 0.00 0.00 70.33 68.20 3ggv n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ggv n GLY 27 N 0.58 3.68 3.16 3.38 0.00 -1.26 -4.87 105.19 109.87 3ggv n GLY 27 Ca 0.09 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 3ggv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggv s ALA 28 N -2.92 2.23 0.07 4.61 0.00 -0.83 -5.02 121.76 119.90 3ggv s ALA 28 Ca 0.51 -1.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.19 3ggv s ALA 28 Cb 0.41 -0.99 -0.11 0.00 0.00 0.00 0.00 23.12 22.43 3ggv s ALA 28 CO 0.12 -0.04 1.50 -0.44 0.00 0.00 0.00 175.76 176.91 3ggv h ASP 29 N 7.34 0.32 -0.38 0.00 3.45 -1.90 0.86 116.42 126.11 3ggv h ASP 29 Ca -0.33 -0.31 -0.64 0.00 0.43 0.00 0.00 57.03 56.19 3ggv h ASP 29 Cb 1.19 -0.09 -0.10 0.00 -0.56 0.00 0.00 39.33 39.78 3ggv h ASP 29 CO 0.55 0.55 -0.42 -1.81 -1.57 0.00 0.00 179.24 176.54 3ggv s ASP 30 N -5.82 4.35 -0.16 6.45 1.01 -1.26 -1.74 116.67 119.50 3ggv s ASP 30 Ca -0.14 -1.50 -0.03 0.00 0.71 0.00 0.00 52.55 51.59 3ggv s ASP 30 Cb 0.06 0.53 -0.02 0.00 1.01 0.00 0.00 42.92 44.50 3ggv s ASP 30 CO 0.73 -0.98 -0.04 -0.89 0.21 0.00 0.00 175.17 174.19 3ggv s THR 31 N -2.84 3.78 -0.03 -1.27 2.01 -1.26 -2.91 115.64 113.11 3ggv s THR 31 Ca 0.16 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.78 3ggv s THR 31 Cb -0.00 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.86 3ggv s THR 31 CO 0.10 0.49 -0.05 0.54 -0.69 0.00 0.00 174.62 175.00 3ggv s VAL 32 N 0.49 0.56 0.17 3.82 0.11 -0.34 -0.56 120.40 124.65 3ggv s VAL 32 Ca -0.04 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.90 3ggv s VAL 32 Cb -0.14 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 3ggv s VAL 32 CO 0.03 0.21 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.10 3ggv s LEU 33 N 0.58 2.49 0.94 2.54 1.43 0.18 0.44 118.68 127.28 3ggv s LEU 33 Ca -0.08 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 51.97 3ggv s LEU 33 Cb -0.11 -0.64 0.16 0.00 0.03 0.00 0.00 46.19 45.63 3ggv s LEU 33 CO 0.00 -0.15 1.09 -1.61 0.23 0.00 0.00 176.35 175.91 3ggv s GLU 34 N -3.24 0.87 -0.35 1.70 2.02 -1.26 -1.58 118.70 116.86 3ggv s GLU 34 Ca 0.17 0.96 -0.41 0.00 0.02 0.00 0.00 54.97 55.71 3ggv s GLU 34 Cb -0.02 -1.75 -0.16 0.00 0.10 0.00 0.00 34.13 32.29 3ggv s GLU 34 CO 0.05 -2.55 1.83 -1.91 0.02 0.00 0.00 175.26 172.71 3ggv n GLU 35 N -4.11 0.83 -3.88 1.61 4.07 -1.19 -4.51 120.64 113.46 3ggv n GLU 35 Ca 0.07 0.29 -0.08 0.00 -0.06 0.00 0.00 57.16 57.38 3ggv n GLU 35 Cb 0.54 -1.99 -0.03 0.00 -0.06 0.00 0.00 31.44 29.89 3ggv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ggv s MET 36 N 4.12 1.62 0.01 5.31 0.23 -1.26 -5.05 119.30 124.28 3ggv s MET 36 Ca 1.03 -1.05 0.02 0.00 -1.03 0.00 0.00 55.69 54.66 3ggv s MET 36 Cb -1.16 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 32.65 3ggv s MET 36 CO 0.66 -0.71 -0.01 -1.54 -2.03 0.00 0.00 175.02 171.39 3ggv s SER 37 N -2.94 5.04 0.05 -1.18 1.04 -1.26 -5.02 113.70 109.43 3ggv s SER 37 Ca 0.15 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 3ggv s SER 37 Cb -0.03 -1.29 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 3ggv s SER 37 CO 0.06 0.27 0.14 -0.76 0.98 0.00 0.00 173.24 173.93 3ggv s LEU 38 N -1.59 1.64 0.88 2.42 1.43 -1.26 -4.95 118.68 117.24 3ggv s LEU 38 Ca 0.20 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3ggv s LEU 38 Cb -0.11 0.79 0.12 0.00 0.03 0.00 0.00 46.19 47.01 3ggv s LEU 38 CO 0.10 -0.59 1.12 -2.16 0.23 0.00 0.00 176.35 175.05 3ggv s PRO 39 N -3.07 1.36 1.25 1.29 0.04 -1.26 -4.92 135.00 129.70 3ggv s PRO 39 Ca -0.01 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.37 3ggv s PRO 39 Cb 0.01 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3ggv s PRO 39 CO -0.07 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.06 3ggv n GLY 40 N -0.34 -1.85 3.96 0.56 0.00 -1.26 -4.95 105.19 101.31 3ggv n GLY 40 Ca 0.10 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 3ggv n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ggv s ARG 41 N 0.00 3.43 0.03 1.61 1.70 -1.26 -5.12 118.95 119.34 3ggv s ARG 41 Ca 0.00 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.52 3ggv s ARG 41 Cb 0.00 -2.89 -0.02 0.00 -0.57 0.00 0.00 34.95 31.47 3ggv s ARG 41 CO 0.00 0.43 -0.06 1.67 -1.08 0.00 0.00 175.30 176.27 3ggv s TRP 42 N -1.97 0.52 0.14 5.89 1.48 -1.26 -4.49 118.94 119.25 3ggv s TRP 42 Ca 0.34 -0.52 0.03 0.00 -1.06 0.00 0.00 56.10 54.89 3ggv s TRP 42 Cb -0.09 -0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 31.86 3ggv s TRP 42 CO 0.29 -0.13 0.18 0.15 -4.06 0.00 0.00 176.95 173.38 3ggv s LYS 43 N -1.59 3.11 0.67 3.25 1.02 -0.90 -4.84 119.74 120.46 3ggv s LYS 43 Ca -0.12 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.00 3ggv s LYS 43 Cb -0.10 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 3ggv s LYS 43 CO -0.00 0.52 1.14 -1.25 -0.92 0.00 0.00 175.35 174.84 3ggv s PRO 44 N -2.97 2.62 0.18 -1.68 0.04 -1.26 0.52 135.00 132.45 3ggv s PRO 44 Ca 0.32 1.53 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 3ggv s PRO 44 Cb -0.11 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.58 3ggv s PRO 44 CO 0.25 -1.41 0.65 0.21 0.04 0.00 0.00 177.00 176.74 3ggv s LYS 45 N -3.98 1.36 0.11 4.56 2.20 -0.21 -4.78 119.74 118.99 3ggv s LYS 45 Ca 0.70 -0.57 0.09 0.00 -0.36 0.00 0.00 55.97 55.83 3ggv s LYS 45 Cb -0.23 0.58 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 3ggv s LYS 45 CO 0.42 -0.60 -0.20 -1.64 -0.36 0.00 0.00 175.35 172.96 3ggv s MET 46 N -3.74 1.75 -0.05 4.03 -1.94 -1.26 -0.60 119.30 117.48 3ggv s MET 46 Ca 0.03 -1.18 0.03 0.00 -1.71 0.00 0.00 55.69 52.87 3ggv s MET 46 Cb -0.02 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.74 3ggv s MET 46 CO -0.08 0.48 -0.15 0.96 -0.01 0.00 0.00 175.02 176.22 3ggv s ILE 47 N -1.09 1.29 0.00 2.53 -4.36 -1.02 -4.95 121.20 113.60 3ggv s ILE 47 Ca 0.17 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.95 3ggv s ILE 47 Cb -0.10 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.48 3ggv s ILE 47 CO 0.08 0.38 0.72 0.61 0.24 0.00 0.00 174.94 176.98 3ggv n GLY 48 N 3.40 -3.22 2.90 6.27 0.00 -1.26 -3.17 105.19 110.11 3ggv n GLY 48 Ca -0.20 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3ggv n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 49 N -0.91 -2.28 0.09 -0.02 0.00 -1.26 -3.24 105.19 97.56 3ggv n GLY 49 Ca 0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 3ggv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ggv h ILE 50 N 0.00 0.84 -0.74 -0.61 6.09 -2.03 -3.41 117.51 117.65 3ggv h ILE 50 Ca 0.00 -1.90 -0.45 0.00 -1.37 0.00 0.00 64.86 61.14 3ggv h ILE 50 Cb 0.00 1.86 -0.26 0.00 0.47 0.00 0.00 36.82 38.89 3ggv h ILE 50 CO 0.00 0.29 0.21 0.61 -3.07 0.00 0.00 178.15 176.19 3ggv n GLY 51 N 1.53 5.33 0.00 8.18 0.00 -1.26 -5.04 105.19 113.92 3ggv n GLY 51 Ca -0.21 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3ggv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 52 N -1.01 2.62 3.86 -0.02 0.00 -1.25 -5.10 105.19 104.30 3ggv n GLY 52 Ca 0.49 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3ggv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ggv s PHE 53 N -2.40 3.44 -0.00 1.61 0.40 -1.20 -4.41 117.98 115.42 3ggv s PHE 53 Ca 0.00 1.14 0.05 0.00 -0.60 0.00 0.00 56.93 57.52 3ggv s PHE 53 Cb 0.00 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 3ggv s PHE 53 CO 0.00 -0.07 -0.14 0.96 0.70 0.00 0.00 175.22 176.66 3ggv s ILE 54 N -2.28 1.14 0.16 0.64 -4.36 -1.19 -4.94 121.20 110.37 3ggv s ILE 54 Ca 0.53 -0.68 -0.32 0.00 -0.26 0.00 0.00 60.65 59.92 3ggv s ILE 54 Cb -0.10 -0.96 -0.10 0.00 1.25 0.00 0.00 42.46 42.55 3ggv s ILE 54 CO 0.27 0.27 1.60 -0.54 0.24 0.00 0.00 174.94 176.78 3ggv s LYS 55 N -0.48 4.20 0.12 0.37 1.02 -1.26 -2.43 119.74 121.27 3ggv s LYS 55 Ca 0.05 2.39 0.05 0.00 0.02 0.00 0.00 55.97 58.48 3ggv s LYS 55 Cb -0.06 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 3ggv s LYS 55 CO -0.00 -0.64 -0.11 0.14 -0.92 0.00 0.00 175.35 173.82 3ggv s VAL 56 N 1.32 1.11 -0.17 3.17 -7.23 0.23 -4.43 120.40 114.40 3ggv s VAL 56 Ca 0.71 -1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 58.98 3ggv s VAL 56 Cb -0.44 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 3ggv s VAL 56 CO 0.31 -0.57 0.25 -0.13 -0.31 0.00 0.00 175.10 174.66 3ggv s ARG 57 N -3.00 4.24 -0.28 4.82 0.52 0.33 -1.04 118.95 124.54 3ggv s ARG 57 Ca 0.09 0.01 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 3ggv s ARG 57 Cb -0.02 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 3ggv s ARG 57 CO 0.01 0.25 0.19 -1.14 0.02 0.00 0.00 175.30 174.63 3ggv s GLN 58 N 0.46 3.96 -0.05 3.54 0.74 0.19 -1.11 119.66 127.39 3ggv s GLN 58 Ca 0.14 -0.31 0.04 0.00 0.05 0.00 0.00 55.36 55.28 3ggv s GLN 58 Cb -0.12 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 3ggv s GLN 58 CO 0.02 -0.16 -0.15 0.71 -0.55 0.00 0.00 175.29 175.16 3ggv s TYR 59 N 1.70 2.68 0.38 1.67 1.51 -0.38 -2.12 117.35 122.79 3ggv s TYR 59 Ca 0.07 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 55.98 3ggv s TYR 59 Cb -0.16 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 3ggv s TYR 59 CO 0.10 0.13 0.20 -0.51 -1.11 0.00 0.00 175.55 174.37 3ggv s ASP 60 N -0.63 4.64 -1.31 2.29 1.01 -1.26 -1.23 116.67 120.18 3ggv s ASP 60 Ca 0.09 -0.89 -0.11 0.00 0.71 0.00 0.00 52.55 52.35 3ggv s ASP 60 Cb -0.11 -0.60 0.09 0.00 1.01 0.00 0.00 42.92 43.32 3ggv s ASP 60 CO 0.01 -0.46 0.51 0.00 0.21 0.00 0.00 175.17 175.44 3ggv n GLN 61 N -1.26 -3.12 -3.23 8.23 1.13 -1.26 -4.93 117.38 112.95 3ggv n GLN 61 Ca -0.01 0.40 -0.39 0.00 -1.94 0.00 0.00 57.00 55.06 3ggv n GLN 61 Cb 0.63 -5.09 -0.06 0.00 0.11 0.00 0.00 30.24 25.83 3ggv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ggv s ILE 62 N -2.94 4.80 -0.21 5.09 -1.09 -1.12 -4.79 121.20 120.94 3ggv s ILE 62 Ca 0.46 1.25 -0.16 0.00 -2.23 0.00 0.00 60.65 59.97 3ggv s ILE 62 Cb -0.25 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3ggv s ILE 62 CO 0.57 0.49 0.43 -0.22 -1.23 0.00 0.00 174.94 174.98 3ggv s LEU 63 N -0.68 4.13 -0.08 2.97 1.98 -1.26 -1.04 118.68 124.70 3ggv s LEU 63 Ca 0.30 0.52 0.02 0.00 -2.89 0.00 0.00 54.13 52.09 3ggv s LEU 63 Cb -0.19 -2.56 0.01 0.00 0.66 0.00 0.00 46.19 44.12 3ggv s LEU 63 CO 0.18 -0.13 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.75 3ggv s ILE 64 N 1.55 1.28 -0.37 6.68 1.01 -0.55 -4.54 121.20 126.25 3ggv s ILE 64 Ca 0.20 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.09 3ggv s ILE 64 Cb -0.15 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.17 3ggv s ILE 64 CO 0.09 0.39 0.66 -0.70 0.00 0.00 0.00 174.94 175.38 3ggv s GLU 65 N 0.71 3.63 -0.22 2.79 2.12 -1.07 -0.88 118.70 125.77 3ggv s GLU 65 Ca -0.13 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.17 3ggv s GLU 65 Cb -0.16 -3.83 -0.02 0.00 0.26 0.00 0.00 34.13 30.38 3ggv s GLU 65 CO 0.03 -0.80 0.00 0.42 -0.54 0.00 0.00 175.26 174.37 3ggv s ILE 66 N 2.80 3.84 -1.59 -3.70 1.01 0.22 -1.45 121.20 122.33 3ggv s ILE 66 Ca 0.25 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 3ggv s ILE 66 Cb -0.14 -2.76 0.10 0.00 0.01 0.00 0.00 42.46 39.67 3ggv s ILE 66 CO 0.16 0.40 0.74 0.00 0.00 0.00 0.00 174.94 176.24 3ggv n GLY 68 N -1.60 1.84 3.60 0.00 0.00 -1.26 -5.03 105.19 102.72 3ggv n GLY 68 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3ggv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ggv s HIS 69 N -3.17 3.20 0.03 1.61 4.02 0.18 -5.08 115.29 116.08 3ggv s HIS 69 Ca 0.00 -0.03 -0.22 0.00 1.02 0.00 0.00 55.06 55.83 3ggv s HIS 69 Cb 0.00 -2.09 -0.06 0.00 -1.02 0.00 0.00 32.58 29.42 3ggv s HIS 69 CO 0.00 0.07 0.67 0.15 1.02 0.00 0.00 174.74 176.64 3ggv s LYS 70 N 0.53 4.39 0.17 1.40 1.02 -1.26 0.73 119.74 126.71 3ggv s LYS 70 Ca 0.02 0.88 -0.11 0.00 0.02 0.00 0.00 55.97 56.78 3ggv s LYS 70 Cb -0.13 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3ggv s LYS 70 CO 0.01 0.38 0.35 0.00 -0.92 0.00 0.00 175.35 175.17 3ggv s ALA 71 N -0.31 -0.30 0.04 5.17 0.00 -0.06 -4.81 121.76 121.49 3ggv s ALA 71 Ca 0.34 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3ggv s ALA 71 Cb -0.19 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 3ggv s ALA 71 CO 0.20 -0.68 -0.10 0.42 0.00 0.00 0.00 175.76 175.60 3ggv s ILE 72 N -3.93 0.72 -4.52 0.00 1.01 -1.26 -1.49 121.20 111.73 3ggv s ILE 72 Ca 0.14 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3ggv s ILE 72 Cb 0.02 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.76 3ggv s ILE 72 CO -0.02 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.29 3ggv n GLY 73 N 1.64 -2.23 3.68 6.18 0.00 -0.21 -4.93 105.19 109.32 3ggv n GLY 73 Ca -0.21 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 3ggv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ggv s THR 74 N -2.39 3.00 -0.01 2.61 2.01 -1.26 -2.77 115.64 116.83 3ggv s THR 74 Ca 0.00 0.31 0.08 0.00 0.31 0.00 0.00 61.69 62.39 3ggv s THR 74 Cb 0.00 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 3ggv s THR 74 CO 0.00 -0.01 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.98 3ggv s VAL 75 N 3.33 1.97 -0.13 3.82 1.01 -0.37 -4.41 120.40 125.63 3ggv s VAL 75 Ca 0.79 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3ggv s VAL 75 Cb -0.41 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3ggv s VAL 75 CO 0.35 0.51 -0.12 -0.76 0.00 0.00 0.00 175.10 175.08 3ggv s LEU 76 N -0.71 2.81 -0.15 3.92 1.43 0.28 -1.25 118.68 125.00 3ggv s LEU 76 Ca 0.10 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3ggv s LEU 76 Cb -0.10 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3ggv s LEU 76 CO -0.00 0.18 -0.07 -0.69 0.23 0.00 0.00 176.35 176.00 3ggv s VAL 77 N 0.26 3.53 -0.03 -1.59 1.01 -0.26 0.50 120.40 123.82 3ggv s VAL 77 Ca -0.08 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 3ggv s VAL 77 Cb -0.15 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3ggv s VAL 77 CO 0.05 0.50 0.52 0.61 0.00 0.00 0.00 175.10 176.77 3ggv n GLY 78 N 3.68 0.33 3.37 4.51 0.00 -0.61 -0.52 105.19 115.95 3ggv n GLY 78 Ca -0.18 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3ggv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggv n PRO 79 N -0.38 2.56 -4.55 1.61 -0.04 -1.26 -3.19 135.00 129.75 3ggv n PRO 79 Ca 0.02 -2.80 -0.32 0.00 -0.04 0.00 0.00 63.50 60.36 3ggv n PRO 79 Cb 0.22 -3.46 -0.11 0.00 -0.04 0.00 0.00 33.50 30.12 3ggv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ggv s THR 80 N 5.81 3.52 0.32 0.52 -1.32 -1.26 -5.03 115.64 118.21 3ggv s THR 80 Ca 0.57 -0.75 0.04 0.00 -1.21 0.00 0.00 61.69 60.33 3ggv s THR 80 Cb 0.06 -2.50 0.29 0.00 -1.51 0.00 0.00 72.50 68.85 3ggv s THR 80 CO 0.07 0.44 1.89 -0.65 -2.21 0.00 0.00 174.62 174.16 3ggv h PRO 81 N 4.73 0.87 -4.05 7.08 0.11 -1.99 -3.43 132.00 135.31 3ggv h PRO 81 Ca -0.48 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3ggv h PRO 81 Cb 1.17 -0.20 -0.16 0.00 0.11 0.00 0.00 31.00 31.92 3ggv h PRO 81 CO 0.53 0.57 -0.59 0.14 -0.21 0.00 0.00 178.00 178.44 3ggv s VAL 82 N -5.82 0.18 -0.12 3.15 -7.23 -1.26 -5.03 120.40 104.27 3ggv s VAL 82 Ca -0.11 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 3ggv s VAL 82 Cb 0.21 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 3ggv s VAL 82 CO 0.79 -0.82 1.69 0.20 -0.31 0.00 0.00 175.10 176.66 3ggv s ASN 83 N -2.64 6.48 -0.20 4.85 0.01 -1.26 -4.65 114.94 117.53 3ggv s ASN 83 Ca 0.02 2.02 -0.08 0.00 -0.71 0.00 0.00 52.86 54.11 3ggv s ASN 83 Cb 0.04 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 3ggv s ASN 83 CO -0.08 -1.11 0.09 -0.63 -1.51 0.00 0.00 177.10 173.85 3ggv s ILE 84 N 4.74 4.93 -0.35 0.60 1.01 0.17 -0.55 121.20 131.75 3ggv s ILE 84 Ca 0.75 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 61.30 3ggv s ILE 84 Cb -0.31 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 3ggv s ILE 84 CO 0.30 0.43 0.23 -0.63 0.00 0.00 0.00 174.94 175.27 3ggv s ILE 85 N 0.59 5.05 0.25 2.92 -1.09 0.13 -1.20 121.20 127.84 3ggv s ILE 85 Ca 0.05 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3ggv s ILE 85 Cb -0.13 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.14 3ggv s ILE 85 CO 0.01 -0.09 0.34 0.61 -1.23 0.00 0.00 174.94 174.58 3ggv n GLY 86 N 5.08 1.13 0.25 6.18 0.00 -1.15 -1.32 105.19 115.36 3ggv n GLY 86 Ca -0.12 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 3ggv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ggv h ARG 87 N 0.00 0.83 -1.90 1.61 3.08 -0.77 0.06 114.38 117.29 3ggv h ARG 87 Ca -0.11 -0.26 0.56 0.00 0.07 0.00 0.00 59.98 60.23 3ggv h ARG 87 Cb 0.45 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 3ggv h ARG 87 CO 0.13 0.88 1.37 0.27 -1.07 0.00 0.00 179.97 181.55 3ggv n ASN 88 N -4.36 0.01 -0.02 7.04 6.94 -0.71 -0.57 115.26 123.59 3ggv n ASN 88 Ca 0.00 0.98 -0.01 0.00 -0.02 0.00 0.00 54.58 55.54 3ggv n ASN 88 Cb 0.31 -0.49 -0.06 0.00 -2.36 0.00 0.00 39.78 37.18 3ggv n ASN 88 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3ggv n LEU 89 N -3.89 0.00 -0.20 -4.53 4.77 -0.99 -4.65 117.00 107.51 3ggv n LEU 89 Ca 0.43 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 3ggv n LEU 89 Cb 1.95 0.11 0.02 0.00 -2.33 0.00 0.00 43.42 43.16 3ggv n LEU 89 CO 0.42 0.11 0.84 -0.07 -1.33 0.00 0.00 177.39 177.36 3ggv h LEU 90 N 0.00 0.94 -1.26 2.23 3.38 0.12 -2.64 115.31 118.08 3ggv h LEU 90 Ca -0.12 -0.29 0.21 0.00 0.09 0.00 0.00 57.88 57.78 3ggv h LEU 90 Cb 1.02 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 3ggv h LEU 90 CO 0.01 0.99 0.62 0.71 0.09 0.00 0.00 178.44 180.86 3ggv h THR 91 N 0.85 0.65 -0.52 0.22 1.35 -1.63 -2.13 112.91 111.70 3ggv h THR 91 Ca 0.16 -0.19 -0.05 0.00 -0.55 0.00 0.00 66.41 65.78 3ggv h THR 91 Cb 0.49 0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.93 3ggv h THR 91 CO 0.02 0.10 0.14 1.56 -0.25 0.00 0.00 175.52 177.09 3ggv h GLN 92 N 0.56 0.83 -0.21 4.72 1.08 -1.72 -1.95 115.11 118.42 3ggv h GLN 92 Ca 0.55 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3ggv h GLN 92 Cb 1.13 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 3ggv h GLN 92 CO -0.29 0.78 0.00 0.44 -0.95 0.00 0.00 178.83 178.81 3ggv n ILE 93 N -4.45 0.19 -1.29 2.54 -5.35 -0.96 -4.88 119.36 105.16 3ggv n ILE 93 Ca 0.02 -0.17 -0.03 0.00 -0.27 0.00 0.00 62.75 62.30 3ggv n ILE 93 Cb 0.22 0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.13 3ggv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ggv n GLY 94 N 0.63 0.55 3.75 3.28 0.00 -0.73 -5.00 105.19 107.67 3ggv n GLY 94 Ca 0.04 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3ggv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggv s THR 96 N -0.90 0.05 -0.16 0.00 -1.32 -1.26 -4.61 115.64 107.44 3ggv s THR 96 Ca 0.44 -0.40 -0.12 0.00 -1.21 0.00 0.00 61.69 60.40 3ggv s THR 96 Cb -0.28 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 3ggv s THR 96 CO 0.34 -0.22 0.25 -0.22 -2.21 0.00 0.00 174.62 172.56 3ggv s LEU 97 N -0.87 4.26 -0.02 9.08 2.96 -1.26 -5.07 118.68 127.76 3ggv s LEU 97 Ca -0.10 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3ggv s LEU 97 Cb -0.05 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.35 3ggv s LEU 97 CO 0.02 0.16 -0.06 0.20 -1.32 0.00 0.00 176.35 175.35 3ggv s ASN 98 N 0.20 0.85 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.24 3ggv s ASN 98 Ca 0.15 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 3ggv s ASN 98 Cb -0.13 -0.26 0.00 0.00 -0.02 0.00 0.00 41.25 40.85 3ggv s ASN 98 CO 0.03 0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.80