#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 0.22 -0.17 0.54 0.74 -1.26 -5.15 119.66 114.59 3ggv s GLN 2 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.43 3ggv s GLN 2 Cb 0.00 -0.32 0.02 0.00 1.10 0.00 0.00 33.01 33.81 3ggv s GLN 2 CO 0.00 -0.04 -0.20 0.42 -0.55 0.00 0.00 175.29 174.91 3ggv s ILE 3 N 0.48 2.04 1.13 -2.34 1.01 -1.26 -5.12 121.20 117.13 3ggv s ILE 3 Ca -0.05 -0.94 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 3ggv s ILE 3 Cb -0.07 -1.83 0.27 0.00 0.01 0.00 0.00 42.46 40.83 3ggv s ILE 3 CO -0.01 0.54 1.22 0.42 0.00 0.00 0.00 174.94 177.11 3ggv s THR 4 N 1.15 1.74 -0.12 2.92 -4.23 -1.26 -5.01 115.64 110.83 3ggv s THR 4 Ca 0.01 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.67 3ggv s THR 4 Cb -0.14 -2.72 0.33 0.00 1.34 0.00 0.00 72.50 71.32 3ggv s THR 4 CO -0.10 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.33 3ggv n LEU 5 N -4.41 1.94 0.08 4.79 4.77 -1.26 -4.75 117.00 118.16 3ggv n LEU 5 Ca 0.15 -2.95 -0.06 0.00 -0.03 0.00 0.00 56.01 53.13 3ggv n LEU 5 Cb 0.60 -0.34 0.10 0.00 -2.33 0.00 0.00 43.42 41.45 3ggv n LEU 5 CO 0.43 0.89 0.45 -0.50 -1.33 0.00 0.00 177.39 177.33 3ggv h TRP 6 N 0.58 0.32 -5.31 -1.77 4.06 -2.06 -3.44 115.95 108.33 3ggv h TRP 6 Ca -0.04 -0.13 -0.30 0.00 2.06 0.00 0.00 58.89 60.48 3ggv h TRP 6 Cb 1.21 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 29.32 3ggv h TRP 6 CO 0.35 0.81 -0.09 1.04 -3.56 0.00 0.00 178.44 177.00 3ggv n GLN 7 N -3.85 0.88 -2.65 0.49 6.02 -1.26 -5.10 117.38 111.90 3ggv n GLN 7 Ca -0.03 -1.85 -0.42 0.00 -0.01 0.00 0.00 57.00 54.69 3ggv n GLN 7 Cb 0.64 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.87 3ggv n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ggv s ARG 8 N -3.42 4.55 -0.57 -1.09 0.52 -1.26 -4.93 118.95 112.75 3ggv s ARG 8 Ca 0.28 1.50 -0.21 0.00 -0.52 0.00 0.00 55.73 56.78 3ggv s ARG 8 Cb -0.02 -3.42 -0.19 0.00 0.52 0.00 0.00 34.95 31.84 3ggv s ARG 8 CO 0.18 -0.05 1.82 -0.35 0.02 0.00 0.00 175.30 176.91 3ggv n PRO 9 N 3.73 1.14 -2.92 3.54 -0.04 -1.26 -4.86 135.00 134.33 3ggv n PRO 9 Ca 0.06 -1.53 -0.43 0.00 -0.04 0.00 0.00 63.50 61.56 3ggv n PRO 9 Cb 0.50 -2.71 -0.05 0.00 -0.04 0.00 0.00 33.50 31.19 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 0.70 4.18 0.16 1.53 1.43 -1.26 -1.70 118.68 123.72 3ggv s LEU 10 Ca 0.55 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 3ggv s LEU 10 Cb 0.13 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3ggv s LEU 10 CO 0.15 -0.97 0.05 0.54 0.23 0.00 0.00 176.35 176.35 3ggv s VAL 11 N 3.45 4.02 0.12 -1.59 0.11 0.47 -4.90 120.40 122.08 3ggv s VAL 11 Ca 0.32 -1.27 -0.07 0.00 -2.93 0.00 0.00 61.98 58.03 3ggv s VAL 11 Cb -0.11 -3.03 -0.06 0.00 -1.53 0.00 0.00 36.38 31.65 3ggv s VAL 11 CO 0.24 -0.09 0.39 0.42 -3.33 0.00 0.00 175.10 172.72 3ggv s THR 12 N -1.71 5.14 0.17 5.04 -4.23 -1.26 -0.60 115.64 118.19 3ggv s THR 12 Ca 0.29 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3ggv s THR 12 Cb -0.10 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 3ggv s THR 12 CO 0.20 0.13 -0.00 0.27 -0.54 0.00 0.00 174.62 174.69 3ggv s ILE 13 N -1.56 0.68 -0.12 2.99 -4.36 0.49 -2.12 121.20 117.20 3ggv s ILE 13 Ca 0.38 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.78 3ggv s ILE 13 Cb -0.13 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.51 3ggv s ILE 13 CO 0.22 -0.49 -0.06 -0.54 0.24 0.00 0.00 174.94 174.30 3ggv s LYS 14 N -3.91 1.42 0.05 0.37 1.02 -0.48 -1.26 119.74 116.96 3ggv s LYS 14 Ca 0.23 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 56.02 3ggv s LYS 14 Cb 0.06 -1.58 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 3ggv s LYS 14 CO 0.04 -0.29 -0.14 0.42 -0.92 0.00 0.00 175.35 174.45 3ggv s ILE 15 N 1.73 1.12 -1.35 2.17 1.01 -0.76 -1.35 121.20 123.76 3ggv s ILE 15 Ca 0.04 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 59.46 3ggv s ILE 15 Cb -0.13 -1.04 0.08 0.00 0.01 0.00 0.00 42.46 41.39 3ggv s ILE 15 CO -0.08 -0.09 0.56 0.61 0.00 0.00 0.00 174.94 175.94 3ggv n GLY 16 N 1.64 -0.48 2.49 6.18 0.00 -1.26 0.58 105.19 114.34 3ggv n GLY 16 Ca -0.19 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.23 1.83 3.57 -0.02 0.00 -1.26 -4.96 105.19 103.11 3ggv n GLY 17 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.63 2.58 -0.27 1.61 -0.21 0.20 -5.10 119.66 114.83 3ggv s GLN 18 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 54.46 3ggv s GLN 18 Cb 0.00 -2.50 -0.00 0.00 1.00 0.00 0.00 33.01 31.51 3ggv s GLN 18 CO 0.00 0.62 0.80 -0.51 -2.12 0.00 0.00 175.29 174.08 3ggv s LEU 19 N -1.15 4.08 0.23 2.90 1.43 -1.26 -1.82 118.68 123.08 3ggv s LEU 19 Ca 0.15 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.14 3ggv s LEU 19 Cb -0.11 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 3ggv s LEU 19 CO 0.05 -0.56 -0.05 -0.54 0.23 0.00 0.00 176.35 175.48 3ggv s LYS 20 N 2.88 1.36 -0.01 1.70 1.02 -0.39 -5.01 119.74 121.30 3ggv s LYS 20 Ca 0.33 -1.67 0.04 0.00 0.02 0.00 0.00 55.97 54.70 3ggv s LYS 20 Cb -0.15 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.30 3ggv s LYS 20 CO 0.10 -0.00 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.39 3ggv s GLU 21 N -3.78 2.40 0.13 1.68 2.12 -1.26 -0.38 118.70 119.60 3ggv s GLU 21 Ca 0.26 -0.78 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 3ggv s GLU 21 Cb 0.04 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.06 3ggv s GLU 21 CO 0.08 0.59 0.22 0.00 -0.54 0.00 0.00 175.26 175.62 3ggv s ALA 22 N -0.86 -0.04 -0.13 6.30 0.00 0.23 -4.40 121.76 122.87 3ggv s ALA 22 Ca 0.14 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3ggv s ALA 22 Cb -0.11 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3ggv s ALA 22 CO 0.04 -0.57 0.24 -1.17 0.00 0.00 0.00 175.76 174.30 3ggv s LEU 23 N -2.92 4.32 -0.85 0.00 2.96 0.38 -0.39 118.68 122.18 3ggv s LEU 23 Ca 0.12 0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 54.36 3ggv s LEU 23 Cb 0.04 -2.27 0.12 0.00 0.50 0.00 0.00 46.19 44.59 3ggv s LEU 23 CO -0.05 0.25 1.05 -0.76 -1.32 0.00 0.00 176.35 175.52 3ggv s LEU 24 N -0.30 5.04 -0.39 -0.68 1.02 -0.69 -0.83 118.68 121.85 3ggv s LEU 24 Ca 0.16 -1.83 -0.06 0.00 0.02 0.00 0.00 54.13 52.41 3ggv s LEU 24 Cb -0.13 -2.39 0.08 0.00 0.02 0.00 0.00 46.19 43.77 3ggv s LEU 24 CO 0.05 -1.11 0.19 -0.62 0.02 0.00 0.00 176.35 174.87 3ggv s ASP 25 N 3.58 5.39 0.20 2.29 2.15 -0.65 -4.87 116.67 124.75 3ggv s ASP 25 Ca 0.28 -1.58 0.24 0.00 0.43 0.00 0.00 52.55 51.92 3ggv s ASP 25 Cb -0.09 -1.89 0.91 0.00 -0.30 0.00 0.00 42.92 41.55 3ggv s ASP 25 CO -0.05 -0.48 1.72 0.35 -0.17 0.00 0.00 175.17 176.54 3ggv n THR 26 N 4.77 0.72 -0.03 1.71 -2.24 -1.26 -2.47 114.28 115.48 3ggv n THR 26 Ca -0.09 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 3ggv n THR 26 Cb 0.43 -0.92 0.26 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.50 2.03 3.42 3.38 0.00 -1.26 -4.76 105.19 108.51 3ggv n GLY 27 Ca 0.04 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.78 3.11 0.11 4.61 0.00 -1.03 -4.97 121.76 121.81 3ggv s ALA 28 Ca 0.38 -1.16 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 3ggv s ALA 28 Cb 0.24 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 3ggv s ALA 28 CO 0.18 -0.52 1.64 -0.44 0.00 0.00 0.00 175.76 176.62 3ggv h ASP 29 N 8.22 0.38 -2.39 0.00 3.45 -1.89 0.31 116.42 124.51 3ggv h ASP 29 Ca -0.38 -0.18 -0.57 0.00 0.43 0.00 0.00 57.03 56.33 3ggv h ASP 29 Cb 1.17 -0.10 -0.11 0.00 -0.56 0.00 0.00 39.33 39.74 3ggv h ASP 29 CO 0.58 0.45 -0.66 -1.81 -1.57 0.00 0.00 179.24 176.23 3ggv s ASP 30 N -5.71 4.48 -0.23 6.45 1.01 -1.26 -2.73 116.67 118.68 3ggv s ASP 30 Ca -0.13 -0.63 -0.19 0.00 0.71 0.00 0.00 52.55 52.31 3ggv s ASP 30 Cb 0.08 -0.82 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 3ggv s ASP 30 CO 0.73 0.03 0.55 -0.89 0.21 0.00 0.00 175.17 175.79 3ggv s THR 31 N -2.18 5.06 -0.18 -1.27 2.01 -1.26 -3.72 115.64 114.10 3ggv s THR 31 Ca 0.30 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.29 3ggv s THR 31 Cb -0.07 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.60 3ggv s THR 31 CO 0.19 0.11 -0.19 0.54 -0.69 0.00 0.00 174.62 174.58 3ggv s VAL 32 N 2.10 2.02 0.10 3.82 0.11 -0.33 -0.71 120.40 127.51 3ggv s VAL 32 Ca 0.24 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 3ggv s VAL 32 Cb -0.16 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.80 3ggv s VAL 32 CO 0.09 0.48 0.06 -0.76 -3.33 0.00 0.00 175.10 171.65 3ggv s LEU 33 N 1.30 3.69 1.18 2.54 1.43 0.44 -0.39 118.68 128.87 3ggv s LEU 33 Ca 0.04 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 3ggv s LEU 33 Cb -0.14 -2.37 0.28 0.00 0.03 0.00 0.00 46.19 43.99 3ggv s LEU 33 CO -0.12 0.15 1.04 -1.61 0.23 0.00 0.00 176.35 176.04 3ggv s GLU 34 N -2.50 -1.04 0.01 1.70 2.02 -1.26 -1.89 118.70 115.74 3ggv s GLU 34 Ca 0.29 0.46 -0.30 0.00 0.02 0.00 0.00 54.97 55.43 3ggv s GLU 34 Cb -0.12 -1.57 -0.09 0.00 0.10 0.00 0.00 34.13 32.45 3ggv s GLU 34 CO 0.21 -3.70 1.99 -1.91 0.02 0.00 0.00 175.26 171.87 3ggv n GLU 35 N -4.85 2.77 -3.80 1.61 4.07 -1.19 -4.37 120.64 114.89 3ggv n GLU 35 Ca 0.07 1.00 -0.05 0.00 -0.06 0.00 0.00 57.16 58.12 3ggv n GLU 35 Cb 0.57 -3.01 -0.01 0.00 -0.06 0.00 0.00 31.44 28.93 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 4.59 1.42 0.04 5.31 0.23 -1.26 -5.07 119.30 124.57 3ggv s MET 36 Ca 0.90 -0.79 0.06 0.00 -1.03 0.00 0.00 55.69 54.83 3ggv s MET 36 Cb -0.44 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.30 3ggv s MET 36 CO 0.42 -0.65 -0.14 -1.54 -2.03 0.00 0.00 175.02 171.08 3ggv s SER 37 N -2.95 4.10 0.02 -1.18 1.04 -1.26 -5.01 113.70 108.46 3ggv s SER 37 Ca 0.12 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.21 3ggv s SER 37 Cb -0.03 -0.76 -0.01 0.00 0.10 0.00 0.00 66.02 65.32 3ggv s SER 37 CO 0.04 0.25 -0.06 -0.76 0.98 0.00 0.00 173.24 173.69 3ggv s LEU 38 N -1.57 2.14 1.23 2.42 1.43 -1.26 -5.04 118.68 118.03 3ggv s LEU 38 Ca 0.16 -0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 3ggv s LEU 38 Cb -0.11 -0.17 0.29 0.00 0.03 0.00 0.00 46.19 46.23 3ggv s LEU 38 CO 0.07 -0.09 1.03 -2.16 0.23 0.00 0.00 176.35 175.43 3ggv s PRO 39 N -0.90 -1.39 0.08 1.29 0.04 -1.26 -4.89 135.00 127.97 3ggv s PRO 39 Ca -0.05 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.30 3ggv s PRO 39 Cb -0.06 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.94 3ggv s PRO 39 CO 0.00 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.55 3ggv n GLY 40 N 0.15 -1.55 3.94 0.56 0.00 -1.26 -5.00 105.19 102.03 3ggv n GLY 40 Ca 0.09 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.47 2.34 -0.21 1.61 1.70 -1.26 -5.12 118.95 116.54 3ggv s ARG 41 Ca 0.00 -1.79 -0.25 0.00 -0.47 0.00 0.00 55.73 53.22 3ggv s ARG 41 Cb 0.00 -2.34 0.07 0.00 -0.57 0.00 0.00 34.95 32.11 3ggv s ARG 41 CO 0.00 -0.59 0.67 1.67 -1.08 0.00 0.00 175.30 175.97 3ggv s TRP 42 N -2.67 -0.72 -0.07 5.89 1.48 -1.26 -4.51 118.94 117.09 3ggv s TRP 42 Ca 0.46 1.65 -0.09 0.00 -1.06 0.00 0.00 56.10 57.05 3ggv s TRP 42 Cb -0.04 0.29 -0.05 0.00 -1.16 0.00 0.00 33.47 32.51 3ggv s TRP 42 CO 0.28 -0.41 0.24 0.15 -4.06 0.00 0.00 176.95 173.15 3ggv s LYS 43 N -0.01 3.61 0.77 3.25 1.02 -1.21 -4.87 119.74 122.31 3ggv s LYS 43 Ca -0.03 0.05 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 3ggv s LYS 43 Cb -0.04 -3.19 0.06 0.00 -0.52 0.00 0.00 37.83 34.14 3ggv s LYS 43 CO 0.03 0.74 1.08 -2.14 -0.92 0.00 0.00 175.35 174.14 3ggv s PRO 44 N -1.12 2.27 -0.24 -1.68 0.02 -1.26 -0.79 135.00 132.21 3ggv s PRO 44 Ca 0.19 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 61.73 3ggv s PRO 44 Cb -0.14 -1.92 0.17 0.00 0.02 0.00 0.00 34.50 32.63 3ggv s PRO 44 CO 0.08 -1.54 1.22 0.21 -0.33 0.00 0.00 177.00 176.65 3ggv s LYS 45 N -5.06 0.26 -0.12 5.54 2.20 -0.71 -4.88 119.74 116.96 3ggv s LYS 45 Ca 0.60 0.05 -0.15 0.00 -0.36 0.00 0.00 55.97 56.11 3ggv s LYS 45 Cb -0.15 0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 3ggv s LYS 45 CO 0.55 -0.08 0.36 -1.64 -0.36 0.00 0.00 175.35 174.17 3ggv s MET 46 N -1.16 4.21 0.01 4.03 -1.94 -1.26 -0.06 119.30 123.13 3ggv s MET 46 Ca 0.05 0.24 0.03 0.00 -1.71 0.00 0.00 55.69 54.30 3ggv s MET 46 Cb -0.01 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 3ggv s MET 46 CO -0.04 0.30 -0.03 0.96 -0.01 0.00 0.00 175.02 176.19 3ggv s ILE 47 N 0.25 3.93 0.00 2.53 -4.36 -0.77 -4.95 121.20 117.83 3ggv s ILE 47 Ca 0.20 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 3ggv s ILE 47 Cb -0.14 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 40.82 3ggv s ILE 47 CO 0.07 0.35 0.00 0.61 0.24 0.00 0.00 174.94 176.21 3ggv n GLY 48 N 1.35 -1.83 0.00 6.27 0.00 -1.26 -2.95 105.19 106.78 3ggv n GLY 48 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.95 0.08 -0.02 0.00 -1.26 -4.01 105.19 99.03 3ggv n GLY 49 Ca 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 -3.56 -0.61 6.09 -2.02 -3.38 117.51 114.03 3ggv h ILE 50 Ca 0.00 0.00 -0.62 0.00 -1.37 0.00 0.00 64.86 62.87 3ggv h ILE 50 Cb 0.00 0.00 -0.39 0.00 0.47 0.00 0.00 36.82 36.90 3ggv h ILE 50 CO 0.00 0.00 -0.76 -0.83 -3.07 0.00 0.00 178.15 173.49 3ggv s GLY 51 N -1.24 1.48 0.00 8.18 0.00 -1.26 -5.06 107.32 109.42 3ggv s GLY 51 Ca -0.03 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.84 3ggv s GLY 51 CO 0.11 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.89 3ggv n GLY 52 N 4.56 -3.14 3.27 0.20 0.00 -1.26 -5.07 105.19 103.75 3ggv n GLY 52 Ca -0.04 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.84 1.32 0.07 1.61 0.40 -1.26 -4.29 117.98 115.00 3ggv s PHE 53 Ca 0.00 -0.86 0.02 0.00 -0.60 0.00 0.00 56.93 55.49 3ggv s PHE 53 Cb 0.00 -0.72 -0.03 0.00 0.51 0.00 0.00 43.02 42.78 3ggv s PHE 53 CO 0.00 -0.02 -0.08 0.96 0.70 0.00 0.00 175.22 176.79 3ggv s ILE 54 N -3.43 0.68 -0.29 0.64 -4.36 -1.15 -4.99 121.20 108.30 3ggv s ILE 54 Ca 0.21 -1.51 -0.28 0.00 -0.26 0.00 0.00 60.65 58.81 3ggv s ILE 54 Cb 0.04 -1.16 0.01 0.00 1.25 0.00 0.00 42.46 42.60 3ggv s ILE 54 CO 0.03 -0.60 1.01 -0.54 0.24 0.00 0.00 174.94 175.08 3ggv s LYS 55 N -2.67 4.11 -0.07 0.37 3.01 -1.26 -1.84 119.74 121.39 3ggv s LYS 55 Ca 0.01 1.07 -0.01 0.00 -1.01 0.00 0.00 55.97 56.03 3ggv s LYS 55 Cb -0.03 -3.70 -0.03 0.00 -1.01 0.00 0.00 37.83 33.05 3ggv s LYS 55 CO -0.02 -0.77 0.00 0.14 0.51 0.00 0.00 175.35 175.21 3ggv s VAL 56 N 3.38 4.28 -0.16 3.17 -7.23 0.92 -4.25 120.40 120.50 3ggv s VAL 56 Ca 0.42 -0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.04 3ggv s VAL 56 Cb -0.13 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 3ggv s VAL 56 CO 0.12 0.56 0.77 -0.13 -0.31 0.00 0.00 175.10 176.11 3ggv s ARG 57 N -1.01 4.30 -0.44 4.82 0.52 0.30 -1.74 118.95 125.70 3ggv s ARG 57 Ca 0.14 0.91 -0.16 0.00 -0.52 0.00 0.00 55.73 56.11 3ggv s ARG 57 Cb -0.11 -3.56 0.04 0.00 0.52 0.00 0.00 34.95 31.84 3ggv s ARG 57 CO 0.04 -0.25 0.38 -1.14 0.02 0.00 0.00 175.30 174.34 3ggv s GLN 58 N 1.91 3.01 -0.36 3.54 0.74 0.03 -0.22 119.66 128.30 3ggv s GLN 58 Ca 0.36 -1.06 -0.13 0.00 0.05 0.00 0.00 55.36 54.58 3ggv s GLN 58 Cb -0.17 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 29.91 3ggv s GLN 58 CO 0.13 -0.89 0.24 0.71 -0.55 0.00 0.00 175.29 174.94 3ggv s TYR 59 N 1.82 3.23 0.58 1.67 1.51 0.71 -3.30 117.35 123.57 3ggv s TYR 59 Ca 0.07 -0.48 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 3ggv s TYR 59 Cb -0.20 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 3ggv s TYR 59 CO 0.10 -0.48 1.02 -0.51 -1.11 0.00 0.00 175.55 174.56 3ggv s ASP 60 N 1.67 6.18 -1.45 2.29 1.01 -1.26 0.63 116.67 125.74 3ggv s ASP 60 Ca 0.05 1.59 -0.07 0.00 0.71 0.00 0.00 52.55 54.83 3ggv s ASP 60 Cb -0.18 -2.50 0.03 0.00 1.01 0.00 0.00 42.92 41.28 3ggv s ASP 60 CO 0.09 -0.89 0.59 0.00 0.21 0.00 0.00 175.17 175.17 3ggv n GLN 61 N -2.17 -4.50 -2.86 8.23 1.13 -1.25 -4.87 117.38 111.10 3ggv n GLN 61 Ca 0.07 0.75 -0.41 0.00 -1.94 0.00 0.00 57.00 55.47 3ggv n GLN 61 Cb 0.54 -5.57 -0.04 0.00 0.11 0.00 0.00 30.24 25.28 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 -3.10 4.79 -0.21 5.09 -1.09 -0.94 -4.76 121.20 120.98 3ggv s ILE 62 Ca 0.35 1.82 -0.26 0.00 -2.23 0.00 0.00 60.65 60.34 3ggv s ILE 62 Cb -0.17 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 3ggv s ILE 62 CO 0.44 0.27 0.88 -0.22 -1.23 0.00 0.00 174.94 175.07 3ggv s LEU 63 N 0.45 4.12 0.04 2.97 1.98 -1.26 -1.71 118.68 125.27 3ggv s LEU 63 Ca 0.44 1.17 0.03 0.00 -2.89 0.00 0.00 54.13 52.88 3ggv s LEU 63 Cb -0.21 -3.28 -0.02 0.00 0.66 0.00 0.00 46.19 43.34 3ggv s LEU 63 CO 0.25 -0.50 -0.11 -0.51 -1.89 0.00 0.00 176.35 173.60 3ggv s ILE 64 N 2.62 0.81 -0.30 6.68 2.07 -0.51 -4.59 121.20 127.98 3ggv s ILE 64 Ca 0.38 -0.95 -0.00 0.00 -1.41 0.00 0.00 60.65 58.67 3ggv s ILE 64 Cb -0.16 -0.78 0.06 0.00 0.13 0.00 0.00 42.46 41.71 3ggv s ILE 64 CO 0.09 -0.15 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.27 3ggv s GLU 65 N -1.22 2.28 -0.55 3.50 2.12 -0.46 -1.34 118.70 123.03 3ggv s GLU 65 Ca -0.03 -1.37 -0.16 0.00 0.36 0.00 0.00 54.97 53.77 3ggv s GLU 65 Cb -0.08 -3.14 0.13 0.00 0.26 0.00 0.00 34.13 31.30 3ggv s GLU 65 CO 0.01 -0.66 0.51 0.42 -0.54 0.00 0.00 175.26 175.00 3ggv s ILE 66 N 1.18 5.19 -0.81 -3.70 1.01 -0.69 -1.38 121.20 122.00 3ggv s ILE 66 Ca -0.04 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.12 3ggv s ILE 66 Cb -0.20 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.92 3ggv s ILE 66 CO -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 174.94 174.03 3ggv n GLY 68 N -1.65 1.47 3.26 0.00 0.00 -1.26 -5.07 105.19 101.94 3ggv n GLY 68 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.85 2.90 0.34 1.61 4.02 -1.03 -5.10 115.29 116.17 3ggv s HIS 69 Ca 0.00 -1.11 -0.29 0.00 1.02 0.00 0.00 55.06 54.68 3ggv s HIS 69 Cb 0.00 -2.03 -0.10 0.00 -1.02 0.00 0.00 32.58 29.42 3ggv s HIS 69 CO 0.00 -0.59 1.33 0.15 1.02 0.00 0.00 174.74 176.64 3ggv s LYS 70 N 1.34 4.33 -0.07 1.40 1.02 -1.26 -1.71 119.74 124.78 3ggv s LYS 70 Ca 0.04 2.26 -0.14 0.00 0.02 0.00 0.00 55.97 58.15 3ggv s LYS 70 Cb -0.14 -3.06 0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3ggv s LYS 70 CO -0.05 -0.23 0.35 0.00 -0.92 0.00 0.00 175.35 174.50 3ggv s ALA 71 N -1.14 -0.88 -0.06 5.17 0.00 -0.45 -4.82 121.76 119.59 3ggv s ALA 71 Ca 0.49 0.70 0.04 0.00 0.00 0.00 0.00 51.96 53.19 3ggv s ALA 71 Cb -0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3ggv s ALA 71 CO 0.54 -0.22 -0.15 0.42 0.00 0.00 0.00 175.76 176.35 3ggv s ILE 72 N -0.59 2.95 0.00 0.00 1.01 -1.26 -1.42 121.20 121.89 3ggv s ILE 72 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3ggv s ILE 72 Cb -0.04 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.28 3ggv s ILE 72 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3ggv n GLY 73 N 2.46 0.48 3.73 6.18 0.00 -0.69 -4.94 105.19 112.40 3ggv n GLY 73 Ca -0.17 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3ggv n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ggv n THR 74 N -0.14 1.49 -4.34 2.61 -1.04 -1.26 -2.21 114.28 109.40 3ggv n THR 74 Ca 0.00 -0.37 -0.20 0.00 -2.04 0.00 0.00 64.05 61.43 3ggv n THR 74 Cb 0.00 -1.79 -0.16 0.00 -1.82 0.00 0.00 70.33 66.56 3ggv n THR 74 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ggv s VAL 75 N -0.56 0.73 -0.15 12.58 1.01 0.21 -4.61 120.40 129.61 3ggv s VAL 75 Ca 0.60 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 3ggv s VAL 75 Cb -0.53 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3ggv s VAL 75 CO 0.56 0.24 0.01 -0.76 0.00 0.00 0.00 175.10 175.15 3ggv s LEU 76 N 0.42 3.53 -0.13 3.92 1.43 0.12 -0.21 118.68 127.76 3ggv s LEU 76 Ca -0.06 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3ggv s LEU 76 Cb -0.11 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.27 3ggv s LEU 76 CO 0.01 0.21 -0.15 -0.69 0.23 0.00 0.00 176.35 175.96 3ggv s VAL 77 N 0.15 1.55 0.00 -1.59 1.01 0.69 0.17 120.40 122.38 3ggv s VAL 77 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3ggv s VAL 77 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3ggv s VAL 77 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3ggv n GLY 78 N 4.55 1.26 1.87 4.51 0.00 -0.79 0.11 105.19 116.70 3ggv n GLY 78 Ca -0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 1.22 -2.79 1.61 -0.04 -1.26 -3.15 135.00 130.60 3ggv n PRO 79 Ca 0.00 -0.43 -0.36 0.00 -0.04 0.00 0.00 63.50 62.67 3ggv n PRO 79 Cb 0.00 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.86 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 0.95 4.26 -0.09 0.52 -1.32 -1.26 -4.99 115.64 113.70 3ggv s THR 80 Ca 0.29 1.74 0.29 0.00 -1.21 0.00 0.00 61.69 62.80 3ggv s THR 80 Cb 0.14 -3.90 0.36 0.00 -1.51 0.00 0.00 72.50 67.58 3ggv s THR 80 CO 0.00 0.02 1.83 1.55 -2.21 0.00 0.00 174.62 175.81 3ggv h PRO 81 N 2.84 0.00 -3.71 7.08 0.13 -1.98 -3.45 132.00 132.91 3ggv h PRO 81 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 3ggv h PRO 81 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 3ggv h PRO 81 CO 0.64 0.03 -0.42 0.14 -0.23 0.00 0.00 178.00 178.15 3ggv s VAL 82 N -3.49 0.13 -0.01 1.56 -7.23 -1.26 -5.10 120.40 104.99 3ggv s VAL 82 Ca 0.03 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.84 3ggv s VAL 82 Cb 0.08 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 3ggv s VAL 82 CO 0.60 -0.59 1.30 0.20 -0.31 0.00 0.00 175.10 176.30 3ggv s ASN 83 N -2.37 6.95 -0.15 4.85 0.01 -1.26 -4.66 114.94 118.31 3ggv s ASN 83 Ca -0.01 1.99 0.02 0.00 -0.71 0.00 0.00 52.86 54.15 3ggv s ASN 83 Cb 0.01 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.12 3ggv s ASN 83 CO -0.06 -0.64 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.04 3ggv s ILE 84 N 2.17 2.12 -0.39 0.60 1.01 0.47 -0.47 121.20 126.72 3ggv s ILE 84 Ca 0.60 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 60.17 3ggv s ILE 84 Cb -0.29 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.35 3ggv s ILE 84 CO 0.25 0.54 0.24 -0.63 0.00 0.00 0.00 174.94 175.35 3ggv s ILE 85 N 0.88 4.86 0.80 2.92 -1.09 -0.01 -1.18 121.20 128.38 3ggv s ILE 85 Ca -0.05 -0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 3ggv s ILE 85 Cb -0.15 -3.71 0.16 0.00 -1.58 0.00 0.00 42.46 37.18 3ggv s ILE 85 CO -0.03 -0.26 1.10 -0.83 -1.23 0.00 0.00 174.94 173.69 3ggv s GLY 86 N 1.61 1.76 0.22 6.18 0.00 -1.24 -1.63 107.32 114.22 3ggv s GLY 86 Ca 0.03 -1.71 -0.09 0.00 0.00 0.00 0.00 44.72 42.96 3ggv s GLY 86 CO 0.08 -1.05 1.69 3.21 0.00 0.00 0.00 173.10 177.03 3ggv h ARG 87 N -0.87 0.23 -1.00 2.90 3.08 -0.43 -0.64 114.38 117.64 3ggv h ARG 87 Ca -0.37 -0.01 0.29 0.00 0.07 0.00 0.00 59.98 59.96 3ggv h ARG 87 Cb 1.25 -0.05 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 3ggv h ARG 87 CO 0.37 0.15 0.58 -2.95 -1.07 0.00 0.00 179.97 177.05 3ggv h ASN 88 N 0.23 0.58 0.27 7.04 -1.07 -1.74 -0.22 115.58 120.68 3ggv h ASN 88 Ca 0.35 0.17 -0.27 0.00 0.07 0.00 0.00 56.30 56.61 3ggv h ASN 88 Cb 0.55 0.09 -0.05 0.00 -2.07 0.00 0.00 38.32 36.85 3ggv h ASN 88 CO -0.46 -0.04 -1.97 0.18 0.07 0.00 0.00 177.43 175.21 3ggv n LEU 89 N -4.98 0.41 -0.16 6.14 4.77 -0.93 -4.24 117.00 118.01 3ggv n LEU 89 Ca 0.30 0.19 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 3ggv n LEU 89 Cb 0.89 0.28 0.29 0.00 -2.33 0.00 0.00 43.42 42.54 3ggv n LEU 89 CO 0.12 0.35 1.22 -0.07 -1.33 0.00 0.00 177.39 177.68 3ggv h LEU 90 N 0.00 0.77 0.20 2.23 3.38 0.46 -2.47 115.31 119.88 3ggv h LEU 90 Ca -0.35 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3ggv h LEU 90 Cb 1.93 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3ggv h LEU 90 CO 0.04 0.56 -0.10 0.71 0.09 0.00 0.00 178.44 179.75 3ggv h THR 91 N 0.90 0.85 -1.06 0.22 1.35 -1.33 -1.25 112.91 112.59 3ggv h THR 91 Ca 0.24 -0.25 0.36 0.00 -0.55 0.00 0.00 66.41 66.21 3ggv h THR 91 Cb -0.10 1.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.18 3ggv h THR 91 CO -0.05 0.06 0.62 1.56 -0.25 0.00 0.00 175.52 177.45 3ggv h GLN 92 N -0.40 0.22 -0.65 4.72 1.08 -1.62 0.54 115.11 119.00 3ggv h GLN 92 Ca -0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3ggv h GLN 92 Cb 0.31 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3ggv h GLN 92 CO 0.05 0.14 0.00 0.44 -0.95 0.00 0.00 178.83 178.51 3ggv n ILE 93 N -5.01 1.66 -2.08 2.54 -5.35 -1.13 -4.95 119.36 105.03 3ggv n ILE 93 Ca 0.34 -1.07 -0.14 0.00 -0.27 0.00 0.00 62.75 61.61 3ggv n ILE 93 Cb 1.12 0.10 -0.02 0.00 -1.74 0.00 0.00 39.64 39.10 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 1.10 0.13 3.78 3.28 0.00 0.19 -5.00 105.19 108.68 3ggv n GLY 94 Ca 0.24 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.66 0.00 0.26 0.00 -1.32 -1.26 -4.63 115.64 107.04 3ggv s THR 96 Ca 0.57 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.78 3ggv s THR 96 Cb -0.22 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.68 3ggv s THR 96 CO 0.27 0.00 0.91 -0.76 -2.21 0.00 0.00 174.62 172.83 3ggv s LEU 97 N 0.53 4.49 -0.28 9.08 2.01 -1.26 -5.05 118.68 128.21 3ggv s LEU 97 Ca -0.01 1.83 0.00 0.00 0.01 0.00 0.00 54.13 55.95 3ggv s LEU 97 Cb -0.05 -3.74 0.14 0.00 0.01 0.00 0.00 46.19 42.55 3ggv s LEU 97 CO -0.02 0.06 0.36 0.20 1.01 0.00 0.00 176.35 177.96 3ggv s ASN 98 N -1.40 0.83 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.24 3ggv s ASN 98 Ca 0.44 -0.38 0.00 0.00 -1.57 0.00 0.00 52.86 51.36 3ggv s ASN 98 Cb -0.22 0.88 0.00 0.00 -0.02 0.00 0.00 41.25 41.89 3ggv s ASN 98 CO 0.27 -0.35 0.21 2.22 -2.57 0.00 0.00 177.10 176.87