#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 0.39 -0.39 0.54 0.74 -1.26 -5.12 119.66 114.56 3ggv s GLN 2 Ca 0.00 -0.50 -0.23 0.00 0.05 0.00 0.00 55.36 54.68 3ggv s GLN 2 Cb 0.00 -0.84 0.01 0.00 1.10 0.00 0.00 33.01 33.28 3ggv s GLN 2 CO 0.00 -1.08 0.77 0.42 -0.55 0.00 0.00 175.29 174.85 3ggv s ILE 3 N 1.97 4.72 0.78 -2.34 1.01 -1.26 -5.03 121.20 121.04 3ggv s ILE 3 Ca 0.12 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 3ggv s ILE 3 Cb -0.16 -4.23 0.07 0.00 0.01 0.00 0.00 42.46 38.15 3ggv s ILE 3 CO -0.24 -0.51 1.14 0.42 0.00 0.00 0.00 174.94 175.76 3ggv s THR 4 N 3.13 2.32 -0.22 2.92 -4.23 -1.26 -4.99 115.64 113.31 3ggv s THR 4 Ca 0.30 0.06 0.14 0.00 -1.18 0.00 0.00 61.69 61.02 3ggv s THR 4 Cb -0.13 -3.09 0.52 0.00 1.34 0.00 0.00 72.50 71.14 3ggv s THR 4 CO 0.18 -0.12 1.44 0.18 -0.54 0.00 0.00 174.62 175.76 3ggv n LEU 5 N -3.21 3.97 0.11 4.79 4.77 -1.26 -4.58 117.00 121.58 3ggv n LEU 5 Ca 0.08 -3.26 0.12 0.00 -0.03 0.00 0.00 56.01 52.92 3ggv n LEU 5 Cb 0.60 -0.57 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 3ggv n LEU 5 CO 0.57 0.85 0.85 0.79 -1.33 0.00 0.00 177.39 179.12 3ggv n TRP 6 N -0.75 0.73 -3.98 -1.77 7.02 -1.26 -4.69 117.44 112.74 3ggv n TRP 6 Ca 0.26 0.28 -0.09 0.00 -1.02 0.00 0.00 57.50 56.92 3ggv n TRP 6 Cb 0.95 -0.95 -0.08 0.00 -2.42 0.00 0.00 31.31 28.80 3ggv n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3ggv s GLN 7 N -3.26 0.98 0.09 -0.99 -0.21 -1.26 -5.13 119.66 109.88 3ggv s GLN 7 Ca 0.05 -1.17 -0.35 0.00 0.02 0.00 0.00 55.36 53.91 3ggv s GLN 7 Cb 0.10 0.33 -0.14 0.00 1.00 0.00 0.00 33.01 34.29 3ggv s GLN 7 CO 0.40 -0.32 1.58 0.54 -2.12 0.00 0.00 175.29 175.37 3ggv n ARG 8 N -0.12 1.90 -1.33 2.91 1.74 -1.26 -4.78 116.66 115.72 3ggv n ARG 8 Ca -0.10 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.26 3ggv n ARG 8 Cb 0.63 -2.44 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 3ggv n ARG 8 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ggv n PRO 9 N 3.78 2.06 -2.95 5.56 -0.02 -1.26 -4.84 135.00 137.33 3ggv n PRO 9 Ca 0.18 -2.09 -0.44 0.00 -2.02 0.00 0.00 63.50 59.14 3ggv n PRO 9 Cb 0.26 -3.01 -0.03 0.00 -0.02 0.00 0.00 33.50 30.70 3ggv n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ggv s LEU 10 N 1.43 5.03 0.47 2.45 1.43 -1.26 -2.25 118.68 125.97 3ggv s LEU 10 Ca 0.53 -1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 3ggv s LEU 10 Cb 0.14 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 3ggv s LEU 10 CO 0.03 -1.12 0.70 0.54 0.23 0.00 0.00 176.35 176.74 3ggv s VAL 11 N 2.84 3.98 0.16 -1.59 0.11 -0.69 -4.86 120.40 120.35 3ggv s VAL 11 Ca 0.28 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 3ggv s VAL 11 Cb -0.09 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 3ggv s VAL 11 CO -0.04 -0.37 0.25 0.42 -3.33 0.00 0.00 175.10 172.04 3ggv s THR 12 N -2.62 5.14 0.04 5.04 -4.23 -1.26 -1.55 115.64 116.19 3ggv s THR 12 Ca 0.49 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 3ggv s THR 12 Cb -0.10 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 3ggv s THR 12 CO 0.39 -0.11 0.15 0.27 -0.54 0.00 0.00 174.62 174.79 3ggv s ILE 13 N -1.76 0.12 -0.20 2.99 -4.36 -0.75 -2.57 121.20 114.66 3ggv s ILE 13 Ca 0.34 -0.95 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 3ggv s ILE 13 Cb -0.11 -0.86 0.02 0.00 1.25 0.00 0.00 42.46 42.76 3ggv s ILE 13 CO 0.27 -0.53 -0.15 -0.75 0.24 0.00 0.00 174.94 174.03 3ggv s LYS 14 N -2.48 2.91 -0.11 0.37 2.20 -0.50 -1.14 119.74 120.99 3ggv s LYS 14 Ca -0.06 -0.90 0.01 0.00 -0.36 0.00 0.00 55.97 54.66 3ggv s LYS 14 Cb -0.02 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.60 3ggv s LYS 14 CO -0.04 -0.28 -0.11 0.42 -0.36 0.00 0.00 175.35 174.98 3ggv s ILE 15 N 1.29 1.25 -1.38 5.43 1.01 0.05 -1.51 121.20 127.33 3ggv s ILE 15 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 3ggv s ILE 15 Cb -0.15 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.15 3ggv s ILE 15 CO -0.10 0.40 0.69 0.61 0.00 0.00 0.00 174.94 176.54 3ggv n GLY 16 N 4.59 -0.32 2.38 6.18 0.00 -1.26 -1.77 105.19 114.99 3ggv n GLY 16 Ca -0.16 0.14 -0.20 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 -1.68 -0.38 3.03 -0.02 0.00 -1.26 -5.00 105.19 99.88 3ggv n GLY 17 Ca -0.23 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.95 1.27 0.07 1.61 -0.21 -0.73 -5.11 119.66 111.60 3ggv s GLN 18 Ca 0.00 -0.39 -0.25 0.00 0.02 0.00 0.00 55.36 54.74 3ggv s GLN 18 Cb 0.00 -1.13 -0.06 0.00 1.00 0.00 0.00 33.01 32.82 3ggv s GLN 18 CO 0.00 0.13 0.76 -0.51 -2.12 0.00 0.00 175.29 173.54 3ggv s LEU 19 N 0.25 4.48 0.06 2.90 1.43 -1.26 -0.77 118.68 125.76 3ggv s LEU 19 Ca -0.05 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 54.49 3ggv s LEU 19 Cb -0.11 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3ggv s LEU 19 CO 0.01 0.07 0.03 -0.54 0.23 0.00 0.00 176.35 176.16 3ggv s LYS 20 N -0.34 0.66 -0.05 1.70 1.02 -0.29 -4.99 119.74 117.45 3ggv s LYS 20 Ca 0.37 -1.10 -0.19 0.00 0.02 0.00 0.00 55.97 55.08 3ggv s LYS 20 Cb -0.21 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 3ggv s LYS 20 CO 0.23 -0.15 0.52 -2.00 -0.92 0.00 0.00 175.35 173.03 3ggv s GLU 21 N -3.73 4.25 0.00 1.68 2.12 -1.26 -1.82 118.70 119.95 3ggv s GLU 21 Ca 0.05 0.57 0.03 0.00 0.36 0.00 0.00 54.97 55.97 3ggv s GLU 21 Cb 0.06 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 3ggv s GLU 21 CO -0.10 0.35 -0.08 0.00 -0.54 0.00 0.00 175.26 174.89 3ggv s ALA 22 N -0.04 0.67 -0.07 6.30 0.00 -0.60 -4.04 121.76 123.99 3ggv s ALA 22 Ca 0.28 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 3ggv s ALA 22 Cb -0.17 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3ggv s ALA 22 CO 0.14 0.14 0.50 -1.17 0.00 0.00 0.00 175.76 175.37 3ggv s LEU 23 N -0.43 4.35 -0.67 0.00 2.96 0.48 -1.71 118.68 123.66 3ggv s LEU 23 Ca 0.01 0.94 -0.20 0.00 -0.22 0.00 0.00 54.13 54.66 3ggv s LEU 23 Cb -0.04 -2.75 0.10 0.00 0.50 0.00 0.00 46.19 44.00 3ggv s LEU 23 CO -0.00 0.08 0.86 -0.76 -1.32 0.00 0.00 176.35 175.21 3ggv s LEU 24 N 0.11 5.02 -0.51 -0.68 1.02 -0.96 -0.44 118.68 122.24 3ggv s LEU 24 Ca 0.27 -1.39 0.03 0.00 0.02 0.00 0.00 54.13 53.06 3ggv s LEU 24 Cb -0.16 -2.35 0.13 0.00 0.02 0.00 0.00 46.19 43.82 3ggv s LEU 24 CO 0.13 -1.21 0.26 -0.62 0.02 0.00 0.00 176.35 174.92 3ggv s ASP 25 N 3.60 4.47 0.05 2.29 2.15 -1.05 -4.86 116.67 123.32 3ggv s ASP 25 Ca 0.18 -2.90 0.11 0.00 0.43 0.00 0.00 52.55 50.36 3ggv s ASP 25 Cb -0.19 -1.67 0.47 0.00 -0.30 0.00 0.00 42.92 41.24 3ggv s ASP 25 CO 0.05 -0.26 1.34 0.35 -0.17 0.00 0.00 175.17 176.47 3ggv n THR 26 N 3.27 1.34 -0.01 1.71 -2.24 -1.26 -1.49 114.28 115.61 3ggv n THR 26 Ca 0.05 0.37 0.04 0.00 -2.27 0.00 0.00 64.05 62.24 3ggv n THR 26 Cb 0.34 -1.24 0.23 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.62 2.18 2.94 3.38 0.00 -1.26 -4.79 105.19 107.02 3ggv n GLY 27 Ca 0.02 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.95 1.69 0.23 4.61 0.00 -0.56 -4.98 121.76 120.80 3ggv s ALA 28 Ca 0.32 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 3ggv s ALA 28 Cb 0.23 -1.14 0.36 0.00 0.00 0.00 0.00 23.12 22.57 3ggv s ALA 28 CO 0.11 -0.70 1.75 -0.44 0.00 0.00 0.00 175.76 176.48 3ggv h ASP 29 N 8.07 0.31 -3.59 0.00 3.45 -1.86 -0.16 116.42 122.64 3ggv h ASP 29 Ca -0.28 0.09 -0.67 0.00 0.43 0.00 0.00 57.03 56.60 3ggv h ASP 29 Cb 1.11 0.05 -0.16 0.00 -0.56 0.00 0.00 39.33 39.77 3ggv h ASP 29 CO 0.44 0.16 -0.73 -1.81 -1.57 0.00 0.00 179.24 175.73 3ggv s ASP 30 N -5.40 4.42 -0.38 6.45 1.01 -1.26 -2.83 116.67 118.67 3ggv s ASP 30 Ca -0.13 -0.34 -0.20 0.00 0.71 0.00 0.00 52.55 52.59 3ggv s ASP 30 Cb 0.19 -0.88 0.01 0.00 1.01 0.00 0.00 42.92 43.25 3ggv s ASP 30 CO 0.76 0.20 0.63 -0.89 0.21 0.00 0.00 175.17 176.08 3ggv s THR 31 N -1.16 4.88 -0.20 -1.27 2.01 -1.26 -3.42 115.64 115.21 3ggv s THR 31 Ca 0.20 0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 3ggv s THR 31 Cb -0.11 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.30 3ggv s THR 31 CO 0.12 -0.38 -0.11 0.54 -0.69 0.00 0.00 174.62 174.10 3ggv s VAL 32 N 2.73 2.87 0.22 3.82 0.11 -0.47 0.14 120.40 129.82 3ggv s VAL 32 Ca 0.24 -0.67 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 3ggv s VAL 32 Cb -0.14 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.40 3ggv s VAL 32 CO 0.16 0.47 0.26 -0.76 -3.33 0.00 0.00 175.10 171.90 3ggv s LEU 33 N 1.34 4.07 0.77 2.54 1.43 0.84 -0.71 118.68 128.96 3ggv s LEU 33 Ca 0.04 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 3ggv s LEU 33 Cb -0.14 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.51 3ggv s LEU 33 CO -0.06 -0.02 1.08 -1.61 0.23 0.00 0.00 176.35 175.97 3ggv s GLU 34 N -3.67 2.32 -0.30 1.70 2.02 -1.26 -1.92 118.70 117.58 3ggv s GLU 34 Ca 0.33 0.90 -0.43 0.00 0.02 0.00 0.00 54.97 55.79 3ggv s GLU 34 Cb -0.09 -1.92 -0.19 0.00 0.10 0.00 0.00 34.13 32.03 3ggv s GLU 34 CO 0.27 -1.52 1.51 -1.91 0.02 0.00 0.00 175.26 173.62 3ggv n GLU 35 N -3.41 0.37 -3.50 1.61 4.07 -1.24 -4.58 120.64 113.96 3ggv n GLU 35 Ca 0.08 0.13 -0.10 0.00 -0.06 0.00 0.00 57.16 57.21 3ggv n GLU 35 Cb 0.54 -1.69 -0.03 0.00 -0.06 0.00 0.00 31.44 30.20 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 2.33 0.89 -0.23 5.31 0.23 -1.26 -5.04 119.30 121.53 3ggv s MET 36 Ca 0.99 -0.20 -0.16 0.00 -1.03 0.00 0.00 55.69 55.29 3ggv s MET 36 Cb -1.31 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 32.37 3ggv s MET 36 CO 0.70 -0.36 0.41 -1.54 -2.03 0.00 0.00 175.02 172.20 3ggv s SER 37 N -2.16 6.38 0.24 -1.18 1.04 -1.26 -5.06 113.70 111.71 3ggv s SER 37 Ca 0.01 0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.98 3ggv s SER 37 Cb -0.01 -2.23 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 3ggv s SER 37 CO -0.06 -0.14 -0.13 -0.76 0.98 0.00 0.00 173.24 173.13 3ggv s LEU 38 N 1.68 2.55 1.05 2.42 1.02 -1.26 -5.04 118.68 121.10 3ggv s LEU 38 Ca 0.18 -1.08 -0.18 0.00 0.02 0.00 0.00 54.13 53.08 3ggv s LEU 38 Cb -0.15 -0.75 0.24 0.00 0.02 0.00 0.00 46.19 45.56 3ggv s LEU 38 CO 0.09 -0.19 1.31 -2.16 0.02 0.00 0.00 176.35 175.42 3ggv s PRO 39 N -3.64 -0.07 2.01 1.29 0.04 -1.26 -4.94 135.00 128.43 3ggv s PRO 39 Ca 0.26 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.84 3ggv s PRO 39 Cb -0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3ggv s PRO 39 CO 0.10 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.67 3ggv n GLY 40 N -3.26 -0.81 3.88 0.56 0.00 -1.26 -4.93 105.19 99.37 3ggv n GLY 40 Ca 0.17 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 2.33 -0.03 1.61 1.70 -1.26 -5.13 118.95 118.17 3ggv s ARG 41 Ca 0.00 -1.84 -0.03 0.00 -0.47 0.00 0.00 55.73 53.38 3ggv s ARG 41 Cb 0.00 -2.19 0.01 0.00 -0.57 0.00 0.00 34.95 32.19 3ggv s ARG 41 CO 0.00 -0.46 0.09 1.67 -1.08 0.00 0.00 175.30 175.52 3ggv s TRP 42 N -2.66 -0.07 0.59 5.89 1.48 -1.26 -4.57 118.94 118.34 3ggv s TRP 42 Ca 0.40 0.18 -0.07 0.00 -1.06 0.00 0.00 56.10 55.55 3ggv s TRP 42 Cb -0.02 0.02 0.00 0.00 -1.16 0.00 0.00 33.47 32.31 3ggv s TRP 42 CO 0.24 -0.07 0.91 0.15 -4.06 0.00 0.00 176.95 174.12 3ggv s LYS 43 N -0.14 3.03 0.44 3.25 1.02 -0.84 -4.85 119.74 121.66 3ggv s LYS 43 Ca -0.02 0.11 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 3ggv s LYS 43 Cb -0.02 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3ggv s LYS 43 CO 0.00 -0.66 0.73 -1.25 -0.92 0.00 0.00 175.35 173.25 3ggv s PRO 44 N -5.01 3.56 -0.24 -1.68 0.04 -1.26 -0.85 135.00 129.56 3ggv s PRO 44 Ca 0.53 0.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 3ggv s PRO 44 Cb -0.11 -2.44 0.10 0.00 0.04 0.00 0.00 34.50 32.10 3ggv s PRO 44 CO 0.46 -0.11 0.91 0.21 0.04 0.00 0.00 177.00 178.51 3ggv s LYS 45 N -4.54 0.66 -0.12 4.56 2.20 -0.93 -4.80 119.74 116.77 3ggv s LYS 45 Ca 0.46 0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 56.54 3ggv s LYS 45 Cb -0.10 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.49 3ggv s LYS 45 CO 0.42 -0.12 0.30 -1.64 -0.36 0.00 0.00 175.35 173.95 3ggv s MET 46 N -0.07 4.09 0.12 4.03 -1.94 -1.26 -1.32 119.30 122.95 3ggv s MET 46 Ca 0.00 0.13 0.06 0.00 -1.71 0.00 0.00 55.69 54.17 3ggv s MET 46 Cb -0.04 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 3ggv s MET 46 CO -0.02 0.39 0.00 0.96 -0.01 0.00 0.00 175.02 176.34 3ggv s ILE 47 N 0.00 3.91 0.00 2.53 -4.36 -1.09 -4.98 121.20 117.21 3ggv s ILE 47 Ca 0.18 -1.15 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 3ggv s ILE 47 Cb -0.14 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.67 3ggv s ILE 47 CO 0.06 0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.88 3ggv n GLY 48 N 0.31 -1.83 0.00 6.27 0.00 -1.26 -3.08 105.19 105.59 3ggv n GLY 48 Ca -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.68 2.90 0.22 -0.02 0.00 -1.24 -4.31 105.19 104.43 3ggv n GLY 49 Ca 0.00 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 1.19 0.00 -0.61 6.09 -2.01 -3.05 117.51 119.12 3ggv h ILE 50 Ca 0.00 -0.53 -0.07 0.00 -1.37 0.00 0.00 64.86 62.88 3ggv h ILE 50 Cb 0.00 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 37.92 3ggv h ILE 50 CO 0.00 0.21 -0.86 1.23 -3.07 0.00 0.00 178.15 175.66 3ggv h GLY 51 N 0.65 0.00 0.00 8.18 0.00 -2.02 -3.50 103.07 106.37 3ggv h GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3ggv h GLY 51 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 3ggv n GLY 52 N 1.24 0.02 3.38 4.60 0.00 -1.16 -5.15 105.19 108.13 3ggv n GLY 52 Ca -0.02 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.98 2.41 0.19 1.61 0.40 -1.26 -3.61 117.98 113.74 3ggv s PHE 53 Ca 0.00 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 3ggv s PHE 53 Cb 0.00 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 3ggv s PHE 53 CO 0.00 0.16 -0.09 0.96 0.70 0.00 0.00 175.22 176.95 3ggv s ILE 54 N -0.83 1.32 -0.19 0.64 -4.36 -1.18 -4.99 121.20 111.61 3ggv s ILE 54 Ca 0.13 -2.10 -0.21 0.00 -0.26 0.00 0.00 60.65 58.21 3ggv s ILE 54 Cb -0.10 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 3ggv s ILE 54 CO 0.03 -0.59 0.63 -0.54 0.24 0.00 0.00 174.94 174.71 3ggv s LYS 55 N -3.74 4.23 0.38 0.37 3.01 -1.26 -2.67 119.74 120.05 3ggv s LYS 55 Ca 0.21 0.64 0.06 0.00 -1.01 0.00 0.00 55.97 55.88 3ggv s LYS 55 Cb 0.02 -3.56 -0.07 0.00 -1.01 0.00 0.00 37.83 33.21 3ggv s LYS 55 CO 0.05 -0.21 0.01 0.14 0.51 0.00 0.00 175.35 175.85 3ggv s VAL 56 N 1.80 1.80 -0.16 3.17 -7.23 -0.43 -4.62 120.40 114.74 3ggv s VAL 56 Ca 0.29 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3ggv s VAL 56 Cb -0.16 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 3ggv s VAL 56 CO 0.11 -0.03 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.71 3ggv s ARG 57 N -3.75 3.69 -0.25 4.82 0.52 0.52 -2.18 118.95 122.32 3ggv s ARG 57 Ca 0.35 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 3ggv s ARG 57 Cb 0.09 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 3ggv s ARG 57 CO 0.17 0.24 0.10 -1.14 0.02 0.00 0.00 175.30 174.69 3ggv s GLN 58 N 0.37 3.75 -0.06 3.54 0.74 -0.03 0.35 119.66 128.33 3ggv s GLN 58 Ca -0.04 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 54.97 3ggv s GLN 58 Cb -0.14 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 3ggv s GLN 58 CO 0.03 -0.14 -0.14 0.71 -0.55 0.00 0.00 175.29 175.20 3ggv s TYR 59 N 1.51 2.73 0.31 1.67 1.51 -0.61 -1.99 117.35 122.48 3ggv s TYR 59 Ca 0.06 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3ggv s TYR 59 Cb -0.15 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 3ggv s TYR 59 CO 0.05 0.13 0.39 -0.51 -1.11 0.00 0.00 175.55 174.51 3ggv s ASP 60 N -0.58 5.85 -1.33 2.29 1.01 -1.26 -1.54 116.67 121.11 3ggv s ASP 60 Ca 0.08 -0.22 -0.22 0.00 0.71 0.00 0.00 52.55 52.90 3ggv s ASP 60 Cb -0.11 -1.30 0.03 0.00 1.01 0.00 0.00 42.92 42.55 3ggv s ASP 60 CO 0.01 -0.32 0.46 0.00 0.21 0.00 0.00 175.17 175.53 3ggv n GLN 61 N -1.51 -0.60 -3.97 8.23 1.13 -1.08 -4.91 117.38 114.67 3ggv n GLN 61 Ca -0.03 0.10 -0.36 0.00 -1.94 0.00 0.00 57.00 54.77 3ggv n GLN 61 Cb 0.58 -2.97 -0.07 0.00 0.11 0.00 0.00 30.24 27.89 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 -3.81 5.23 -0.10 5.09 -1.09 -0.47 -4.88 121.20 121.16 3ggv s ILE 62 Ca 0.32 0.11 -0.19 0.00 -2.23 0.00 0.00 60.65 58.66 3ggv s ILE 62 Cb -0.18 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 3ggv s ILE 62 CO 0.98 0.59 0.50 -0.22 -1.23 0.00 0.00 174.94 175.55 3ggv s LEU 63 N -0.78 4.29 -0.08 2.97 2.96 -1.26 -2.06 118.68 124.72 3ggv s LEU 63 Ca 0.13 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 3ggv s LEU 63 Cb -0.12 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.86 3ggv s LEU 63 CO 0.03 0.01 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.32 3ggv s ILE 64 N 0.52 1.22 -0.57 6.68 1.01 0.14 -4.48 121.20 125.72 3ggv s ILE 64 Ca 0.27 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 3ggv s ILE 64 Cb -0.16 -1.13 0.08 0.00 0.01 0.00 0.00 42.46 41.26 3ggv s ILE 64 CO 0.11 0.38 0.75 -0.70 0.00 0.00 0.00 174.94 175.48 3ggv s GLU 65 N 0.86 3.11 -0.45 2.79 2.12 -0.57 -0.73 118.70 125.84 3ggv s GLU 65 Ca -0.11 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.00 3ggv s GLU 65 Cb -0.15 -4.18 0.03 0.00 0.26 0.00 0.00 34.13 30.08 3ggv s GLU 65 CO 0.01 -1.48 0.78 0.42 -0.54 0.00 0.00 175.26 174.45 3ggv s ILE 66 N 3.04 4.65 -1.40 -3.70 1.01 0.07 -1.42 121.20 123.46 3ggv s ILE 66 Ca 0.16 0.42 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 3ggv s ILE 66 Cb -0.20 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.95 3ggv s ILE 66 CO 0.10 -0.71 0.40 0.00 0.00 0.00 0.00 174.94 174.72 3ggv n GLY 68 N -2.03 1.44 3.30 0.00 0.00 -1.26 -5.01 105.19 101.63 3ggv n GLY 68 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.37 2.70 0.17 1.61 4.02 -0.09 -5.10 115.29 116.23 3ggv s HIS 69 Ca 0.00 -0.84 -0.30 0.00 1.02 0.00 0.00 55.06 54.94 3ggv s HIS 69 Cb 0.00 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.58 29.69 3ggv s HIS 69 CO 0.00 -0.32 1.13 0.15 1.02 0.00 0.00 174.74 176.72 3ggv s LYS 70 N 0.38 4.55 -0.04 1.40 1.02 -1.26 -0.75 119.74 125.04 3ggv s LYS 70 Ca -0.14 1.76 -0.02 0.00 0.02 0.00 0.00 55.97 57.59 3ggv s LYS 70 Cb -0.17 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3ggv s LYS 70 CO 0.07 0.00 0.09 0.00 -0.92 0.00 0.00 175.35 174.59 3ggv s ALA 71 N -0.05 -0.14 -0.03 5.17 0.00 0.10 -4.71 121.76 122.09 3ggv s ALA 71 Ca 0.51 0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.97 3ggv s ALA 71 Cb -0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3ggv s ALA 71 CO 0.35 -0.11 -0.24 0.42 0.00 0.00 0.00 175.76 176.18 3ggv s ILE 72 N 0.83 2.20 -1.44 0.00 1.01 -1.26 -0.68 121.20 121.85 3ggv s ILE 72 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.54 3ggv s ILE 72 Cb -0.09 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3ggv s ILE 72 CO -0.03 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3ggv n GLY 73 N 2.53 -0.61 3.50 6.18 0.00 -0.88 -4.91 105.19 111.00 3ggv n GLY 73 Ca -0.16 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.40 5.15 -0.14 2.61 2.01 -1.26 -1.37 115.64 119.24 3ggv s THR 74 Ca 0.00 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 3ggv s THR 74 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 3ggv s THR 74 CO 0.00 -0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.05 3ggv s VAL 75 N 1.69 2.98 0.05 3.82 1.01 -0.59 -4.39 120.40 124.98 3ggv s VAL 75 Ca 0.05 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 3ggv s VAL 75 Cb -0.18 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3ggv s VAL 75 CO 0.10 0.51 0.37 -0.76 0.00 0.00 0.00 175.10 175.32 3ggv s LEU 76 N 0.54 4.37 -0.01 3.92 1.43 0.12 -1.57 118.68 127.48 3ggv s LEU 76 Ca -0.08 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 3ggv s LEU 76 Cb -0.16 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 3ggv s LEU 76 CO 0.04 0.21 -0.20 -0.69 0.23 0.00 0.00 176.35 175.94 3ggv s VAL 77 N -1.34 1.57 -4.47 -1.59 1.01 0.16 -0.11 120.40 115.63 3ggv s VAL 77 Ca 0.31 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3ggv s VAL 77 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3ggv s VAL 77 CO 0.17 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3ggv n GLY 78 N 2.47 -1.40 2.59 4.51 0.00 -0.81 -0.35 105.19 112.19 3ggv n GLY 78 Ca -0.15 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.02 2.09 -3.54 1.61 -0.04 -1.26 -3.72 135.00 130.12 3ggv n PRO 79 Ca 0.00 -1.44 -0.34 0.00 -0.04 0.00 0.00 63.50 61.68 3ggv n PRO 79 Cb 0.00 -2.43 -0.05 0.00 -0.04 0.00 0.00 33.50 30.98 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 3.31 5.05 0.09 0.52 -1.32 -1.26 -5.01 115.64 117.01 3ggv s THR 80 Ca 0.40 0.45 -0.22 0.00 -1.21 0.00 0.00 61.69 61.11 3ggv s THR 80 Cb 0.11 -3.65 -0.13 0.00 -1.51 0.00 0.00 72.50 67.32 3ggv s THR 80 CO -0.03 0.20 1.70 -0.65 -2.21 0.00 0.00 174.62 173.63 3ggv h PRO 81 N 3.42 0.10 -5.67 7.08 0.11 -1.99 -3.45 132.00 131.61 3ggv h PRO 81 Ca -0.48 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.00 3ggv h PRO 81 Cb 1.19 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 3ggv h PRO 81 CO 0.68 0.13 -0.51 0.14 -0.21 0.00 0.00 178.00 178.22 3ggv s VAL 82 N -5.96 1.88 -0.01 3.15 -7.23 -1.26 -5.02 120.40 105.95 3ggv s VAL 82 Ca -0.13 -1.83 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 3ggv s VAL 82 Cb 0.06 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 3ggv s VAL 82 CO 0.68 0.00 0.77 0.20 -0.31 0.00 0.00 175.10 176.44 3ggv s ASN 83 N -3.88 7.14 -0.12 4.85 0.01 -1.26 -4.54 114.94 117.14 3ggv s ASN 83 Ca 0.30 1.37 0.03 0.00 -0.71 0.00 0.00 52.86 53.85 3ggv s ASN 83 Cb 0.05 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.25 3ggv s ASN 83 CO 0.17 -0.09 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.82 3ggv s ILE 84 N 0.52 2.25 -0.46 0.60 1.01 0.11 0.18 121.20 125.41 3ggv s ILE 84 Ca 0.40 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 3ggv s ILE 84 Cb -0.19 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.48 3ggv s ILE 84 CO 0.22 0.55 0.33 -0.63 0.00 0.00 0.00 174.94 175.41 3ggv s ILE 85 N 0.51 4.51 0.97 2.92 -1.09 0.41 -1.37 121.20 128.06 3ggv s ILE 85 Ca -0.14 -1.46 -0.15 0.00 -2.23 0.00 0.00 60.65 56.67 3ggv s ILE 85 Cb -0.17 -3.82 0.21 0.00 -1.58 0.00 0.00 42.46 37.11 3ggv s ILE 85 CO 0.05 -0.63 1.32 -0.83 -1.23 0.00 0.00 174.94 173.61 3ggv s GLY 86 N 2.52 1.81 0.08 6.18 0.00 -1.22 -2.53 107.32 114.16 3ggv s GLY 86 Ca 0.04 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 3ggv s GLY 86 CO 0.02 -0.55 1.70 3.21 0.00 0.00 0.00 173.10 177.48 3ggv h ARG 87 N -1.64 -0.20 -0.75 2.90 3.08 -0.86 -2.17 114.38 114.74 3ggv h ARG 87 Ca -0.43 0.01 0.27 0.00 0.07 0.00 0.00 59.98 59.91 3ggv h ARG 87 Cb 1.22 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 31.18 3ggv h ARG 87 CO 0.33 -0.12 0.26 0.27 -1.07 0.00 0.00 179.97 179.64 3ggv n ASN 88 N -5.17 0.13 -0.07 7.04 6.94 -1.18 0.35 115.26 123.30 3ggv n ASN 88 Ca -0.09 1.25 -0.13 0.00 -0.02 0.00 0.00 54.58 55.60 3ggv n ASN 88 Cb 0.11 -0.55 -0.12 0.00 -2.36 0.00 0.00 39.78 36.86 3ggv n ASN 88 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3ggv h LEU 89 N 0.00 0.00 -1.51 -4.53 3.38 -1.80 -3.33 115.31 107.51 3ggv h LEU 89 Ca 0.57 -0.92 0.20 0.00 0.09 0.00 0.00 57.88 57.81 3ggv h LEU 89 Cb 1.41 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 3ggv h LEU 89 CO -0.62 0.96 0.59 -0.07 0.09 0.00 0.00 178.44 179.39 3ggv h LEU 90 N -1.00 0.41 -0.29 1.67 3.38 0.53 0.53 115.31 120.54 3ggv h LEU 90 Ca -0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ggv h LEU 90 Cb 0.93 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3ggv h LEU 90 CO -0.00 0.17 0.07 0.71 0.09 0.00 0.00 178.44 179.48 3ggv h THR 91 N 0.41 1.22 -0.61 0.22 1.35 -0.83 -0.71 112.91 113.96 3ggv h THR 91 Ca 0.46 -0.74 0.18 0.00 -0.55 0.00 0.00 66.41 65.75 3ggv h THR 91 Cb 1.12 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 3ggv h THR 91 CO -0.17 0.24 0.48 1.56 -0.25 0.00 0.00 175.52 177.38 3ggv h GLN 92 N 0.31 0.00 -0.64 4.72 1.08 -1.00 0.42 115.11 120.01 3ggv h GLN 92 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3ggv h GLN 92 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3ggv h GLN 92 CO 0.00 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 3ggv n ILE 93 N -4.18 2.14 -3.82 2.54 -5.35 -1.09 -4.89 119.36 104.71 3ggv n ILE 93 Ca 0.12 -1.24 -0.25 0.00 -0.27 0.00 0.00 62.75 61.10 3ggv n ILE 93 Cb 0.72 -0.03 0.02 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.96 -0.34 3.79 3.28 0.00 0.15 -4.97 105.19 108.05 3ggv n GLY 94 Ca 0.26 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.40 -0.01 -0.06 0.00 -1.32 -1.26 -4.71 115.64 106.88 3ggv s THR 96 Ca 0.43 0.02 -0.22 0.00 -1.21 0.00 0.00 61.69 60.71 3ggv s THR 96 Cb -0.20 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 3ggv s THR 96 CO 0.24 0.01 0.64 -0.22 -2.21 0.00 0.00 174.62 173.08 3ggv s LEU 97 N 0.39 4.33 -0.08 9.08 2.96 -1.26 -5.05 118.68 129.05 3ggv s LEU 97 Ca -0.02 1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.97 3ggv s LEU 97 Cb -0.04 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.72 3ggv s LEU 97 CO -0.02 -0.05 0.15 0.20 -1.32 0.00 0.00 176.35 175.31 3ggv s ASN 98 N 0.58 0.62 0.00 3.68 -0.87 -1.26 -5.31 114.94 112.38 3ggv s ASN 98 Ca 0.34 0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.93 3ggv s ASN 98 Cb -0.17 0.21 0.00 0.00 -0.02 0.00 0.00 41.25 41.27 3ggv s ASN 98 CO 0.16 -0.23 0.00 2.22 -2.57 0.00 0.00 177.10 176.69