#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 2.39 -0.60 0.54 0.74 -1.26 -5.05 119.66 116.42 3ggv s GLN 2 Ca 0.00 -2.05 -0.22 0.00 0.05 0.00 0.00 55.36 53.15 3ggv s GLN 2 Cb 0.00 -3.77 0.07 0.00 1.10 0.00 0.00 33.01 30.41 3ggv s GLN 2 CO 0.00 -1.15 0.86 0.42 -0.55 0.00 0.00 175.29 174.87 3ggv s ILE 3 N 0.80 4.52 1.24 -2.34 1.01 -1.26 -5.04 121.20 120.13 3ggv s ILE 3 Ca 0.11 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 3ggv s ILE 3 Cb -0.22 -4.56 0.30 0.00 0.01 0.00 0.00 42.46 37.99 3ggv s ILE 3 CO -0.03 -1.23 1.04 0.42 0.00 0.00 0.00 174.94 175.14 3ggv s THR 4 N 3.55 1.59 -0.12 2.92 -4.23 -1.26 -5.00 115.64 113.10 3ggv s THR 4 Ca 0.20 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.89 3ggv s THR 4 Cb -0.18 -2.31 0.26 0.00 1.34 0.00 0.00 72.50 71.61 3ggv s THR 4 CO 0.11 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.51 3ggv n LEU 5 N -4.97 2.17 0.24 4.79 4.77 -1.26 -4.73 117.00 118.00 3ggv n LEU 5 Ca 0.10 -2.92 0.07 0.00 -0.03 0.00 0.00 56.01 53.24 3ggv n LEU 5 Cb 0.59 -0.39 0.59 0.00 -2.33 0.00 0.00 43.42 41.87 3ggv n LEU 5 CO 0.48 0.67 0.97 -0.50 -1.33 0.00 0.00 177.39 177.68 3ggv h TRP 6 N 0.00 0.00 -3.19 -1.77 4.06 -2.04 -3.42 115.95 109.59 3ggv h TRP 6 Ca 0.00 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.56 3ggv h TRP 6 Cb 1.02 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 3ggv h TRP 6 CO 0.01 0.11 -0.69 -0.65 -3.56 0.00 0.00 178.44 173.66 3ggv s GLN 7 N -4.74 1.28 -0.25 0.49 -0.21 -1.26 -5.11 119.66 109.87 3ggv s GLN 7 Ca -0.04 -1.61 -0.42 0.00 0.02 0.00 0.00 55.36 53.31 3ggv s GLN 7 Cb 0.16 -0.76 -0.19 0.00 1.00 0.00 0.00 33.01 33.22 3ggv s GLN 7 CO 0.67 0.01 1.29 0.54 -2.12 0.00 0.00 175.29 175.69 3ggv n ARG 8 N -0.37 0.00 -1.58 2.91 1.74 -1.26 -4.77 116.66 113.34 3ggv n ARG 8 Ca -0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 3ggv n ARG 8 Cb 0.62 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 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 2.68 2.39 -3.16 5.56 -0.04 -1.26 -4.92 135.00 136.25 3ggv n PRO 9 Ca 0.25 -2.37 -0.35 0.00 -0.04 0.00 0.00 63.50 60.99 3ggv n PRO 9 Cb 0.01 -3.18 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 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 2.10 4.25 -0.23 1.53 1.43 -1.26 -2.35 118.68 124.14 3ggv s LEU 10 Ca 0.51 1.31 -0.26 0.00 -1.03 0.00 0.00 54.13 54.66 3ggv s LEU 10 Cb 0.14 -3.69 0.09 0.00 0.03 0.00 0.00 46.19 42.76 3ggv s LEU 10 CO -0.01 -0.03 0.83 0.54 0.23 0.00 0.00 176.35 177.91 3ggv s VAL 11 N -1.66 0.00 0.38 -1.59 0.11 0.25 -4.97 120.40 112.93 3ggv s VAL 11 Ca 0.46 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.35 3ggv s VAL 11 Cb -0.14 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.62 3ggv s VAL 11 CO 0.20 0.00 0.81 0.42 -3.33 0.00 0.00 175.10 173.20 3ggv s THR 12 N -0.00 4.63 0.34 5.04 -4.23 -1.26 -0.50 115.64 119.65 3ggv s THR 12 Ca -0.01 1.02 0.04 0.00 -1.18 0.00 0.00 61.69 61.56 3ggv s THR 12 Cb -0.04 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 3ggv s THR 12 CO 0.00 -0.34 0.15 2.30 -0.54 0.00 0.00 174.62 176.19 3ggv n ILE 13 N -0.76 0.00 -3.69 2.99 -5.35 0.24 -3.52 119.36 109.27 3ggv n ILE 13 Ca 0.04 -2.06 -0.18 0.00 -0.27 0.00 0.00 62.75 60.29 3ggv n ILE 13 Cb 0.54 0.80 -0.17 0.00 -1.74 0.00 0.00 39.64 39.06 3ggv n ILE 13 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3ggv s LYS 14 N -3.30 -0.04 -0.32 6.28 2.20 -0.13 -1.77 119.74 122.66 3ggv s LYS 14 Ca 0.21 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 56.20 3ggv s LYS 14 Cb 0.01 -0.40 0.10 0.00 -1.51 0.00 0.00 37.83 36.03 3ggv s LYS 14 CO 0.15 -0.29 0.12 0.42 -0.36 0.00 0.00 175.35 175.39 3ggv s ILE 15 N 1.98 0.74 -0.80 5.43 1.09 -0.71 -1.27 121.20 127.66 3ggv s ILE 15 Ca 0.02 -1.40 -0.03 0.00 -1.10 0.00 0.00 60.65 58.13 3ggv s ILE 15 Cb -0.12 -1.56 -0.04 0.00 -1.06 0.00 0.00 42.46 39.68 3ggv s ILE 15 CO -0.04 -0.72 0.72 0.61 -0.10 0.00 0.00 174.94 175.41 3ggv n GLY 16 N 4.77 -0.93 4.56 6.18 0.00 -1.26 -3.46 105.19 115.06 3ggv n GLY 16 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.40 1.31 3.72 -0.02 0.00 -1.26 -4.94 105.19 102.60 3ggv n GLY 17 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.59 -0.12 1.61 -0.21 -1.22 -5.03 119.66 119.27 3ggv s GLN 18 Ca 0.00 1.39 -0.24 0.00 0.02 0.00 0.00 55.36 56.54 3ggv s GLN 18 Cb 0.00 -3.43 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 3ggv s GLN 18 CO 0.00 0.04 0.73 -0.51 -2.12 0.00 0.00 175.29 173.43 3ggv s LEU 19 N 0.69 4.25 0.20 2.90 1.43 -1.26 -1.74 118.68 125.16 3ggv s LEU 19 Ca 0.50 1.13 0.06 0.00 -1.03 0.00 0.00 54.13 54.79 3ggv s LEU 19 Cb -0.21 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 42.85 3ggv s LEU 19 CO 0.28 -0.23 -0.11 -0.54 0.23 0.00 0.00 176.35 175.99 3ggv s LYS 20 N 1.38 1.30 -0.16 1.70 1.02 -0.73 -4.96 119.74 119.29 3ggv s LYS 20 Ca 0.37 -1.59 -0.08 0.00 0.02 0.00 0.00 55.97 54.68 3ggv s LYS 20 Cb -0.17 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.15 3ggv s LYS 20 CO 0.15 0.11 0.13 -2.00 -0.92 0.00 0.00 175.35 172.82 3ggv s GLU 21 N -3.71 3.80 0.03 1.68 2.12 -1.26 0.82 118.70 122.19 3ggv s GLU 21 Ca 0.23 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.32 3ggv s GLU 21 Cb 0.01 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 3ggv s GLU 21 CO 0.06 0.53 0.06 0.00 -0.54 0.00 0.00 175.26 175.37 3ggv s ALA 22 N -0.31 -0.02 -0.16 6.30 0.00 0.35 -4.50 121.76 123.43 3ggv s ALA 22 Ca 0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3ggv s ALA 22 Cb -0.12 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3ggv s ALA 22 CO 0.01 -0.27 0.05 -1.17 0.00 0.00 0.00 175.76 174.38 3ggv s LEU 23 N -1.92 3.79 -0.02 0.00 2.96 0.86 -0.58 118.68 123.76 3ggv s LEU 23 Ca -0.08 0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.68 3ggv s LEU 23 Cb -0.03 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3ggv s LEU 23 CO -0.03 0.23 0.86 -0.76 -1.32 0.00 0.00 176.35 175.34 3ggv s LEU 24 N -0.00 4.35 -0.43 -0.68 1.02 -0.99 -0.20 118.68 121.75 3ggv s LEU 24 Ca 0.05 1.47 0.04 0.00 0.02 0.00 0.00 54.13 55.72 3ggv s LEU 24 Cb -0.12 -3.37 0.17 0.00 0.02 0.00 0.00 46.19 42.89 3ggv s LEU 24 CO 0.01 -0.19 0.43 -0.62 0.02 0.00 0.00 176.35 175.99 3ggv s ASP 25 N 0.88 0.81 0.54 2.29 2.15 -0.59 -4.83 116.67 117.92 3ggv s ASP 25 Ca 0.46 -2.52 0.26 0.00 0.43 0.00 0.00 52.55 51.18 3ggv s ASP 25 Cb -0.20 0.23 1.43 0.00 -0.30 0.00 0.00 42.92 44.08 3ggv s ASP 25 CO 0.24 -0.16 1.99 0.71 -0.17 0.00 0.00 175.17 177.78 3ggv h THR 26 N 4.79 0.68 0.00 1.71 1.35 -1.93 0.29 112.91 119.79 3ggv h THR 26 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3ggv h THR 26 Cb 0.98 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3ggv h THR 26 CO 0.26 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3ggv n GLY 27 N -1.62 -1.20 3.58 5.82 0.00 -1.26 -4.74 105.19 105.76 3ggv n GLY 27 Ca 0.10 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.17 3.43 0.08 4.61 0.00 0.09 -4.99 121.76 121.82 3ggv s ALA 28 Ca 0.06 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3ggv s ALA 28 Cb 0.10 -2.24 -0.16 0.00 0.00 0.00 0.00 23.12 20.82 3ggv s ALA 28 CO 0.36 -0.33 1.65 -0.44 0.00 0.00 0.00 175.76 177.00 3ggv h ASP 29 N 7.85 -0.60 -1.03 0.00 3.45 -1.85 0.42 116.42 124.66 3ggv h ASP 29 Ca -0.37 0.03 -0.51 0.00 0.43 0.00 0.00 57.03 56.62 3ggv h ASP 29 Cb 1.18 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 40.11 3ggv h ASP 29 CO 0.61 -0.39 -0.26 -1.81 -1.57 0.00 0.00 179.24 175.82 3ggv s ASP 30 N -4.66 5.04 -0.26 6.45 1.01 -1.26 -2.87 116.67 120.13 3ggv s ASP 30 Ca -0.16 -0.86 -0.01 0.00 0.71 0.00 0.00 52.55 52.23 3ggv s ASP 30 Cb 0.05 -0.06 0.04 0.00 1.01 0.00 0.00 42.92 43.96 3ggv s ASP 30 CO 0.64 -1.00 -0.07 -0.89 0.21 0.00 0.00 175.17 174.06 3ggv s THR 31 N -2.59 2.71 -0.10 -1.27 2.01 -1.26 -3.38 115.64 111.76 3ggv s THR 31 Ca 0.49 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 3ggv s THR 31 Cb -0.05 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3ggv s THR 31 CO 0.30 0.13 -0.05 0.54 -0.69 0.00 0.00 174.62 174.85 3ggv s VAL 32 N 1.27 3.84 0.05 3.82 0.11 -1.09 -0.14 120.40 128.25 3ggv s VAL 32 Ca -0.02 -0.41 0.08 0.00 -2.93 0.00 0.00 61.98 58.70 3ggv s VAL 32 Cb -0.18 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 32.04 3ggv s VAL 32 CO -0.05 0.57 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.31 3ggv s LEU 33 N -0.43 2.17 0.57 2.54 1.43 0.26 -0.48 118.68 124.74 3ggv s LEU 33 Ca 0.07 -0.54 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 3ggv s LEU 33 Cb -0.12 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 3ggv s LEU 33 CO 0.02 0.18 1.19 -0.62 0.23 0.00 0.00 176.35 177.35 3ggv n GLU 34 N 1.81 1.31 -1.12 1.70 1.02 -1.26 -1.80 120.64 122.29 3ggv n GLU 34 Ca -0.17 0.49 -0.44 0.00 -0.02 0.00 0.00 57.16 57.02 3ggv n GLU 34 Cb 0.53 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 3ggv n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ggv n GLU 35 N -1.04 0.00 -3.76 3.49 4.07 -1.22 -4.75 120.64 117.42 3ggv n GLU 35 Ca 0.12 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.17 3ggv n GLU 35 Cb 0.45 -1.05 -0.02 0.00 -0.06 0.00 0.00 31.44 30.77 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 0.95 1.35 -0.12 5.31 0.23 -1.26 -5.05 119.30 120.71 3ggv s MET 36 Ca 0.68 -0.73 -0.01 0.00 -1.03 0.00 0.00 55.69 54.60 3ggv s MET 36 Cb -0.96 0.47 -0.02 0.00 -1.53 0.00 0.00 34.83 32.79 3ggv s MET 36 CO 0.48 -0.62 -0.09 -1.54 -2.03 0.00 0.00 175.02 171.22 3ggv s SER 37 N -2.91 4.41 -0.03 -1.18 1.04 -1.26 -5.01 113.70 108.76 3ggv s SER 37 Ca 0.11 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.40 3ggv s SER 37 Cb -0.03 -1.50 -0.00 0.00 0.10 0.00 0.00 66.02 64.59 3ggv s SER 37 CO 0.03 0.23 -0.14 -0.76 0.98 0.00 0.00 173.24 173.57 3ggv s LEU 38 N 0.01 1.91 0.20 2.42 1.43 -1.26 -5.10 118.68 118.29 3ggv s LEU 38 Ca -0.02 -0.28 -0.33 0.00 -1.03 0.00 0.00 54.13 52.48 3ggv s LEU 38 Cb -0.14 -0.78 -0.14 0.00 0.03 0.00 0.00 46.19 45.16 3ggv s LEU 38 CO 0.03 0.14 1.50 -0.81 0.23 0.00 0.00 176.35 177.44 3ggv n PRO 39 N 3.05 2.09 0.00 1.29 -0.04 -1.26 -4.83 135.00 135.30 3ggv n PRO 39 Ca -0.17 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3ggv n PRO 39 Cb 0.54 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3ggv n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ggv n GLY 40 N 2.80 2.86 3.90 0.55 0.00 -1.26 -5.01 105.19 109.03 3ggv n GLY 40 Ca 0.14 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.71 3.56 0.02 1.61 1.70 -1.26 -5.09 118.95 116.78 3ggv s ARG 41 Ca 0.00 0.25 -0.01 0.00 -0.47 0.00 0.00 55.73 55.51 3ggv s ARG 41 Cb 0.00 -2.36 -0.02 0.00 -0.57 0.00 0.00 34.95 32.00 3ggv s ARG 41 CO 0.00 -0.22 -0.01 1.67 -1.08 0.00 0.00 175.30 175.66 3ggv s TRP 42 N -2.75 0.24 -0.05 5.89 1.48 -1.26 -4.55 118.94 117.95 3ggv s TRP 42 Ca 0.48 -0.50 -0.01 0.00 -1.06 0.00 0.00 56.10 55.01 3ggv s TRP 42 Cb -0.10 -0.18 -0.04 0.00 -1.16 0.00 0.00 33.47 31.99 3ggv s TRP 42 CO 0.45 -0.20 0.04 0.15 -4.06 0.00 0.00 176.95 173.33 3ggv s LYS 43 N -1.46 3.02 0.21 3.25 1.02 -0.57 -4.84 119.74 120.36 3ggv s LYS 43 Ca -0.16 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 3ggv s LYS 43 Cb -0.10 -2.83 -0.09 0.00 -0.52 0.00 0.00 37.83 34.29 3ggv s LYS 43 CO -0.01 0.68 1.38 -1.25 -0.92 0.00 0.00 175.35 175.23 3ggv s PRO 44 N -1.31 4.33 -0.02 -1.68 0.04 -1.26 -0.45 135.00 134.64 3ggv s PRO 44 Ca 0.18 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 3ggv s PRO 44 Cb -0.12 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.27 3ggv s PRO 44 CO 0.08 -0.35 0.23 0.21 0.04 0.00 0.00 177.00 177.21 3ggv s LYS 45 N -0.02 0.52 -0.17 4.56 2.20 -0.57 -4.92 119.74 121.34 3ggv s LYS 45 Ca 0.59 -0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 3ggv s LYS 45 Cb -0.39 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 3ggv s LYS 45 CO 0.39 -0.13 0.01 -1.64 -0.36 0.00 0.00 175.35 173.62 3ggv s MET 46 N -1.04 3.79 -0.05 4.03 -1.94 -1.26 -1.64 119.30 121.19 3ggv s MET 46 Ca -0.11 -0.45 0.05 0.00 -1.71 0.00 0.00 55.69 53.47 3ggv s MET 46 Cb -0.05 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 3ggv s MET 46 CO 0.02 0.22 -0.18 0.96 -0.01 0.00 0.00 175.02 176.03 3ggv s ILE 47 N 0.45 2.71 0.00 2.53 -4.36 -1.19 -5.03 121.20 116.31 3ggv s ILE 47 Ca -0.01 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3ggv s ILE 47 Cb -0.14 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.54 3ggv s ILE 47 CO 0.02 0.58 0.00 0.61 0.24 0.00 0.00 174.94 176.39 3ggv n GLY 48 N 2.45 -0.76 0.00 6.27 0.00 -1.26 -2.85 105.19 109.04 3ggv n GLY 48 Ca -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 5.00 -0.97 0.12 -0.02 0.00 -1.14 -4.84 105.19 103.34 3ggv n GLY 49 Ca 0.00 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 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 1.40 -0.13 -0.61 6.09 -2.04 -3.34 117.51 118.87 3ggv h ILE 50 Ca 0.00 -2.93 -0.16 0.00 -1.37 0.00 0.00 64.86 60.39 3ggv h ILE 50 Cb 0.00 2.95 0.01 0.00 0.47 0.00 0.00 36.82 40.25 3ggv h ILE 50 CO 0.00 0.86 -0.55 1.23 -3.07 0.00 0.00 178.15 176.62 3ggv h GLY 51 N 1.19 0.68 0.00 8.18 0.00 -2.02 -3.50 103.07 107.60 3ggv h GLY 51 Ca -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.23 3ggv h GLY 51 CO 0.22 0.82 0.00 0.61 0.00 0.00 0.00 176.54 178.19 3ggv n GLY 52 N 0.65 -0.53 3.05 4.60 0.00 -1.26 -5.14 105.19 106.57 3ggv n GLY 52 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.02 0.02 1.61 0.40 -1.26 -2.87 117.98 116.90 3ggv s PHE 53 Ca 0.00 -0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.17 3ggv s PHE 53 Cb 0.00 -0.68 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 3ggv s PHE 53 CO 0.00 -0.04 -0.16 0.96 0.70 0.00 0.00 175.22 176.67 3ggv s ILE 54 N -0.15 1.30 0.02 0.64 -4.36 -1.13 -5.03 121.20 112.49 3ggv s ILE 54 Ca 0.02 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.20 3ggv s ILE 54 Cb -0.06 -1.13 -0.05 0.00 1.25 0.00 0.00 42.46 42.48 3ggv s ILE 54 CO -0.00 0.20 1.28 -0.54 0.24 0.00 0.00 174.94 176.12 3ggv s LYS 55 N -0.83 4.35 0.02 0.37 3.01 -1.26 -3.19 119.74 122.21 3ggv s LYS 55 Ca 0.05 1.84 0.03 0.00 -1.01 0.00 0.00 55.97 56.88 3ggv s LYS 55 Cb -0.07 -3.46 -0.02 0.00 -1.01 0.00 0.00 37.83 33.27 3ggv s LYS 55 CO 0.01 -0.43 -0.10 0.14 0.51 0.00 0.00 175.35 175.48 3ggv s VAL 56 N 1.78 0.76 0.01 3.17 -7.23 -0.65 -4.46 120.40 113.79 3ggv s VAL 56 Ca 0.60 -0.73 -0.22 0.00 -1.81 0.00 0.00 61.98 59.82 3ggv s VAL 56 Cb -0.30 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 3ggv s VAL 56 CO 0.26 -0.02 0.66 -0.13 -0.31 0.00 0.00 175.10 175.57 3ggv s ARG 57 N -0.84 4.38 -0.26 4.82 0.52 -0.50 -1.51 118.95 125.57 3ggv s ARG 57 Ca -0.01 0.85 -0.09 0.00 -0.52 0.00 0.00 55.73 55.96 3ggv s ARG 57 Cb -0.06 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3ggv s ARG 57 CO 0.00 0.32 0.14 -1.14 0.02 0.00 0.00 175.30 174.64 3ggv s GLN 58 N -0.09 3.86 -0.20 3.54 0.74 0.40 -0.87 119.66 127.05 3ggv s GLN 58 Ca 0.34 -0.37 -0.06 0.00 0.05 0.00 0.00 55.36 55.32 3ggv s GLN 58 Cb -0.19 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 3ggv s GLN 58 CO 0.19 -0.12 0.03 0.71 -0.55 0.00 0.00 175.29 175.55 3ggv s TYR 59 N 1.53 3.11 0.33 1.67 1.51 0.50 -1.51 117.35 124.49 3ggv s TYR 59 Ca 0.06 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.93 3ggv s TYR 59 Cb -0.15 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 3ggv s TYR 59 CO 0.07 -0.09 0.48 -0.51 -1.11 0.00 0.00 175.55 174.39 3ggv s ASP 60 N 0.79 6.09 -1.47 2.29 1.01 -1.26 -0.55 116.67 123.58 3ggv s ASP 60 Ca 0.02 0.05 -0.12 0.00 0.71 0.00 0.00 52.55 53.21 3ggv s ASP 60 Cb -0.14 -1.57 0.08 0.00 1.01 0.00 0.00 42.92 42.30 3ggv s ASP 60 CO 0.02 -0.35 0.75 0.00 0.21 0.00 0.00 175.17 175.80 3ggv n GLN 61 N -1.67 -4.44 -3.33 8.23 1.13 -1.14 -4.91 117.38 111.25 3ggv n GLN 61 Ca -0.03 0.56 -0.33 0.00 -1.94 0.00 0.00 57.00 55.26 3ggv n GLN 61 Cb 0.57 -5.37 -0.06 0.00 0.11 0.00 0.00 30.24 25.50 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 -3.15 4.84 -0.18 5.09 -1.09 -0.44 -4.79 121.20 121.48 3ggv s ILE 62 Ca 0.54 0.70 -0.17 0.00 -2.23 0.00 0.00 60.65 59.49 3ggv s ILE 62 Cb -0.28 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3ggv s ILE 62 CO 0.67 -0.02 0.43 -0.22 -1.23 0.00 0.00 174.94 174.58 3ggv s LEU 63 N -2.63 4.18 -0.00 2.97 2.96 -1.26 -1.38 118.68 123.51 3ggv s LEU 63 Ca 0.47 0.60 0.07 0.00 -0.22 0.00 0.00 54.13 55.05 3ggv s LEU 63 Cb -0.12 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 3ggv s LEU 63 CO 0.20 -0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 3ggv s ILE 64 N 1.23 2.59 -0.21 6.68 1.01 0.11 -4.53 121.20 128.09 3ggv s ILE 64 Ca 0.21 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3ggv s ILE 64 Cb -0.15 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3ggv s ILE 64 CO 0.08 0.48 0.09 -0.70 0.00 0.00 0.00 174.94 174.89 3ggv s GLU 65 N -0.99 3.94 -0.21 2.79 2.12 -0.40 -1.05 118.70 124.90 3ggv s GLU 65 Ca 0.12 -0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.12 3ggv s GLU 65 Cb -0.10 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 31.00 3ggv s GLU 65 CO 0.02 0.13 -0.16 0.42 -0.54 0.00 0.00 175.26 175.13 3ggv s ILE 66 N 0.79 2.06 -1.26 -3.70 1.01 -0.45 -0.95 121.20 118.70 3ggv s ILE 66 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3ggv s ILE 66 Cb -0.13 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.33 3ggv s ILE 66 CO 0.02 0.28 0.00 0.00 0.00 0.00 0.00 174.94 175.24 3ggv n GLY 68 N -0.85 1.23 3.79 0.00 0.00 -1.26 -5.05 105.19 103.05 3ggv n GLY 68 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.61 3.54 0.33 1.61 4.02 0.18 -5.08 115.29 117.28 3ggv s HIS 69 Ca 0.00 0.58 -0.26 0.00 1.02 0.00 0.00 55.06 56.40 3ggv s HIS 69 Cb 0.00 -2.17 -0.10 0.00 -1.02 0.00 0.00 32.58 29.30 3ggv s HIS 69 CO 0.00 0.47 0.98 0.15 1.02 0.00 0.00 174.74 177.37 3ggv s LYS 70 N -0.27 4.51 -0.13 1.40 1.02 -1.26 -1.34 119.74 123.66 3ggv s LYS 70 Ca 0.15 1.43 -0.18 0.00 0.02 0.00 0.00 55.97 57.39 3ggv s LYS 70 Cb -0.13 -2.80 0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3ggv s LYS 70 CO 0.04 0.19 0.47 0.00 -0.92 0.00 0.00 175.35 175.13 3ggv s ALA 71 N -1.56 -1.19 -0.08 5.17 0.00 -0.22 -4.67 121.76 119.21 3ggv s ALA 71 Ca 0.51 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.66 3ggv s ALA 71 Cb -0.21 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.39 3ggv s ALA 71 CO 0.27 -0.25 -0.21 0.42 0.00 0.00 0.00 175.76 175.99 3ggv s ILE 72 N -0.24 1.79 0.00 0.00 -1.09 -1.26 -0.71 121.20 119.69 3ggv s ILE 72 Ca -0.04 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3ggv s ILE 72 Cb -0.03 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 3ggv s ILE 72 CO 0.03 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3ggv n GLY 73 N 3.47 0.90 3.65 6.18 0.00 -0.48 -4.92 105.19 113.98 3ggv n GLY 73 Ca -0.20 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.16 4.87 -0.11 2.61 2.01 -1.26 -1.33 115.64 120.27 3ggv s THR 74 Ca 0.00 1.52 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 3ggv s THR 74 Cb 0.00 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3ggv s THR 74 CO 0.00 -0.03 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.14 3ggv s VAL 75 N 2.58 3.58 -0.08 3.82 1.01 0.29 -4.18 120.40 127.43 3ggv s VAL 75 Ca 0.35 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3ggv s VAL 75 Cb -0.16 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3ggv s VAL 75 CO 0.09 0.54 -0.06 -0.76 0.00 0.00 0.00 175.10 174.91 3ggv s LEU 76 N -0.12 3.20 -0.03 3.92 1.43 0.81 -0.37 118.68 127.52 3ggv s LEU 76 Ca 0.01 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3ggv s LEU 76 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3ggv s LEU 76 CO 0.03 0.35 -0.26 -0.69 0.23 0.00 0.00 176.35 176.01 3ggv s VAL 77 N -0.71 2.04 -2.16 -1.59 1.01 -0.05 0.91 120.40 119.85 3ggv s VAL 77 Ca 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3ggv s VAL 77 Cb -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3ggv s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3ggv n GLY 78 N 2.62 -1.47 2.74 4.51 0.00 -0.74 -1.41 105.19 111.44 3ggv n GLY 78 Ca -0.16 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.12 2.13 -3.76 1.61 -0.04 -1.26 -3.43 135.00 130.12 3ggv n PRO 79 Ca 0.00 -1.76 -0.37 0.00 -0.04 0.00 0.00 63.50 61.34 3ggv n PRO 79 Cb 0.00 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 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 3.77 5.35 0.31 0.52 -1.32 -1.26 -4.99 115.64 118.01 3ggv s THR 80 Ca 0.49 0.36 0.08 0.00 -1.21 0.00 0.00 61.69 61.41 3ggv s THR 80 Cb 0.13 -3.51 0.32 0.00 -1.51 0.00 0.00 72.50 67.93 3ggv s THR 80 CO 0.01 0.56 1.65 -0.65 -2.21 0.00 0.00 174.62 173.98 3ggv h PRO 81 N 4.73 0.25 -4.22 7.08 0.11 -2.00 -3.44 132.00 134.52 3ggv h PRO 81 Ca -0.53 -0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.29 3ggv h PRO 81 Cb 1.22 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 3ggv h PRO 81 CO 0.60 0.17 -0.27 0.14 -0.21 0.00 0.00 178.00 178.43 3ggv s VAL 82 N -5.82 0.00 -0.21 3.15 -7.23 -1.26 -5.07 120.40 103.96 3ggv s VAL 82 Ca -0.11 -1.67 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 3ggv s VAL 82 Cb 0.28 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 3ggv s VAL 82 CO 0.78 0.00 0.81 0.20 -0.31 0.00 0.00 175.10 176.58 3ggv s ASN 83 N -3.22 6.86 -0.18 4.85 0.01 -1.26 -4.36 114.94 117.63 3ggv s ASN 83 Ca 0.32 1.06 -0.03 0.00 -0.71 0.00 0.00 52.86 53.50 3ggv s ASN 83 Cb 0.01 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.22 3ggv s ASN 83 CO 0.19 -0.45 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.63 3ggv s ILE 84 N 2.52 3.34 -0.47 0.60 1.01 0.37 -0.10 121.20 128.47 3ggv s ILE 84 Ca 0.35 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3ggv s ILE 84 Cb -0.16 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.88 3ggv s ILE 84 CO 0.09 0.46 0.54 -0.63 0.00 0.00 0.00 174.94 175.41 3ggv s ILE 85 N 0.98 4.99 0.42 2.92 -1.09 0.72 -2.69 121.20 127.45 3ggv s ILE 85 Ca -0.00 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 3ggv s ILE 85 Cb -0.15 -4.19 0.09 0.00 -1.58 0.00 0.00 42.46 36.63 3ggv s ILE 85 CO -0.00 -0.64 0.58 0.61 -1.23 0.00 0.00 174.94 174.26 3ggv n GLY 86 N 5.14 0.49 0.20 6.18 0.00 -1.22 -1.54 105.19 114.44 3ggv n GLY 86 Ca -0.07 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 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 0.61 -0.37 1.61 3.08 -0.01 -2.60 114.38 116.70 3ggv h ARG 87 Ca -0.19 -0.11 0.11 0.00 0.07 0.00 0.00 59.98 59.86 3ggv h ARG 87 Cb 0.68 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ggv h ARG 87 CO 0.20 0.56 0.69 -2.95 -1.07 0.00 0.00 179.97 177.39 3ggv h ASN 88 N 0.52 0.00 0.00 7.04 -1.07 -1.80 -0.88 115.58 119.40 3ggv h ASN 88 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.51 3ggv h ASN 88 Cb 0.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 3ggv h ASN 88 CO -0.01 0.00 -0.93 0.18 0.07 0.00 0.00 177.43 176.74 3ggv n LEU 89 N -3.17 0.07 -0.11 6.14 4.77 -1.05 -4.24 117.00 119.42 3ggv n LEU 89 Ca 0.07 -0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 3ggv n LEU 89 Cb 0.83 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.89 3ggv n LEU 89 CO 0.18 0.02 0.55 -0.07 -1.33 0.00 0.00 177.39 176.74 3ggv h LEU 90 N 0.00 0.93 -0.69 2.23 3.38 -0.91 -3.13 115.31 117.11 3ggv h LEU 90 Ca 0.00 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.60 3ggv h LEU 90 Cb 0.20 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3ggv h LEU 90 CO 0.00 1.21 0.32 0.71 0.09 0.00 0.00 178.44 180.76 3ggv h THR 91 N 0.67 0.80 0.00 0.22 1.35 -1.42 0.64 112.91 115.16 3ggv h THR 91 Ca 0.06 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3ggv h THR 91 Cb 0.94 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3ggv h THR 91 CO 0.09 0.10 0.00 1.56 -0.25 0.00 0.00 175.52 177.02 3ggv h GLN 92 N 0.53 0.00 -0.34 4.72 1.08 -1.72 -1.62 115.11 117.76 3ggv h GLN 92 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3ggv h GLN 92 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3ggv h GLN 92 CO -0.30 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.02 3ggv n ILE 93 N -3.01 2.22 -3.54 2.54 -5.35 -0.97 -4.84 119.36 106.40 3ggv n ILE 93 Ca 0.01 -1.68 -0.19 0.00 -0.27 0.00 0.00 62.75 60.62 3ggv n ILE 93 Cb 0.29 -0.16 0.07 0.00 -1.74 0.00 0.00 39.64 38.10 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 -0.13 -0.35 3.79 3.28 0.00 -0.61 -4.98 105.19 106.19 3ggv n GLY 94 Ca 0.22 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.78 -0.02 -0.10 0.00 -1.32 -1.26 -4.76 115.64 106.40 3ggv s THR 96 Ca 0.55 0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.92 3ggv s THR 96 Cb -0.16 -0.44 -0.05 0.00 -1.51 0.00 0.00 72.50 70.34 3ggv s THR 96 CO 0.21 0.02 0.43 -0.22 -2.21 0.00 0.00 174.62 172.86 3ggv s LEU 97 N 0.69 4.31 -0.21 9.08 2.96 -1.26 -5.06 118.68 129.19 3ggv s LEU 97 Ca -0.04 0.79 -0.04 0.00 -0.22 0.00 0.00 54.13 54.62 3ggv s LEU 97 Cb -0.06 -2.62 0.08 0.00 0.50 0.00 0.00 46.19 44.09 3ggv s LEU 97 CO -0.04 0.08 0.15 0.20 -1.32 0.00 0.00 176.35 175.42 3ggv s ASN 98 N 0.26 2.21 0.00 3.68 -0.87 -1.26 -5.31 114.94 113.65 3ggv s ASN 98 Ca 0.24 -0.62 0.00 0.00 -1.57 0.00 0.00 52.86 50.91 3ggv s ASN 98 Cb -0.15 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 3ggv s ASN 98 CO 0.10 -0.36 0.00 2.22 -2.57 0.00 0.00 177.10 176.49