#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 3.24 -0.40 0.54 0.74 -1.26 -5.05 119.66 117.47 3ggv s GLN 2 Ca 0.00 -0.72 -0.10 0.00 0.05 0.00 0.00 55.36 54.59 3ggv s GLN 2 Cb 0.00 -3.91 0.05 0.00 1.10 0.00 0.00 33.01 30.25 3ggv s GLN 2 CO 0.00 -0.69 0.24 0.42 -0.55 0.00 0.00 175.29 174.70 3ggv s ILE 3 N 1.94 4.43 0.23 -2.34 1.01 -1.26 -5.08 121.20 120.13 3ggv s ILE 3 Ca 0.09 -1.12 -0.18 0.00 0.00 0.00 0.00 60.65 59.45 3ggv s ILE 3 Cb -0.17 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3ggv s ILE 3 CO 0.12 -0.37 0.69 0.42 0.00 0.00 0.00 174.94 175.80 3ggv s THR 4 N 1.50 4.65 -0.29 2.92 -4.23 -1.26 -4.99 115.64 113.93 3ggv s THR 4 Ca 0.02 1.12 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 3ggv s THR 4 Cb -0.21 -3.78 0.39 0.00 1.34 0.00 0.00 72.50 70.24 3ggv s THR 4 CO 0.05 0.12 1.62 0.18 -0.54 0.00 0.00 174.62 176.05 3ggv n LEU 5 N 0.48 5.47 0.18 4.79 4.77 -1.26 -4.40 117.00 127.05 3ggv n LEU 5 Ca -0.01 -2.88 0.04 0.00 -0.03 0.00 0.00 56.01 53.12 3ggv n LEU 5 Cb 0.52 -0.75 0.35 0.00 -2.33 0.00 0.00 43.42 41.21 3ggv n LEU 5 CO 0.43 0.89 0.69 -0.50 -1.33 0.00 0.00 177.39 177.57 3ggv h TRP 6 N 0.74 0.00 -4.07 -1.77 4.06 -2.05 -3.44 115.95 109.42 3ggv h TRP 6 Ca 0.38 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.97 3ggv h TRP 6 Cb 1.97 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.99 3ggv h TRP 6 CO 0.97 0.40 -0.58 -0.65 -3.56 0.00 0.00 178.44 175.01 3ggv s GLN 7 N -3.88 1.46 0.25 0.49 1.11 -1.26 -5.13 119.66 112.70 3ggv s GLN 7 Ca -0.02 -1.81 -0.31 0.00 0.01 0.00 0.00 55.36 53.23 3ggv s GLN 7 Cb 0.13 -0.05 -0.13 0.00 -1.01 0.00 0.00 33.01 31.95 3ggv s GLN 7 CO 0.70 -0.40 1.55 0.54 0.01 0.00 0.00 175.29 177.69 3ggv n ARG 8 N -0.48 2.41 -0.01 2.91 1.74 -1.26 -4.78 116.66 117.18 3ggv n ARG 8 Ca 0.01 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 3ggv n ARG 8 Cb 0.65 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 2.51 0.00 -2.62 5.56 -0.04 -1.26 -4.84 135.00 134.31 3ggv n PRO 9 Ca 0.12 -0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 62.76 3ggv n PRO 9 Cb 0.34 -1.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 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 0.00 4.24 0.01 1.53 1.43 -1.26 -1.20 118.68 123.43 3ggv s LEU 10 Ca 0.00 1.59 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3ggv s LEU 10 Cb 0.00 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 3ggv s LEU 10 CO 0.00 -0.51 0.02 -0.69 0.23 0.00 0.00 176.35 175.41 3ggv s VAL 11 N 2.19 0.09 -0.05 -1.59 1.01 -0.08 -4.95 120.40 117.02 3ggv s VAL 11 Ca 0.50 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3ggv s VAL 11 Cb -0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 3ggv s VAL 11 CO 0.18 -0.40 0.30 0.42 0.00 0.00 0.00 175.10 175.59 3ggv s THR 12 N -1.25 5.23 0.13 3.92 -4.23 -1.26 0.49 115.64 118.66 3ggv s THR 12 Ca -0.14 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 3ggv s THR 12 Cb -0.08 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 3ggv s THR 12 CO -0.00 0.59 0.01 0.27 -0.54 0.00 0.00 174.62 174.95 3ggv s ILE 13 N -1.04 0.41 -0.15 2.99 -4.36 0.12 -2.74 121.20 116.43 3ggv s ILE 13 Ca 0.20 -1.92 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 3ggv s ILE 13 Cb -0.15 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.65 3ggv s ILE 13 CO 0.09 -0.62 -0.17 -0.75 0.24 0.00 0.00 174.94 173.73 3ggv s LYS 14 N -3.95 2.62 -0.04 0.37 2.20 0.55 -0.91 119.74 120.59 3ggv s LYS 14 Ca 0.19 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 55.10 3ggv s LYS 14 Cb 0.07 -2.27 0.03 0.00 -1.51 0.00 0.00 37.83 34.15 3ggv s LYS 14 CO -0.00 -0.16 0.06 0.42 -0.36 0.00 0.00 175.35 175.30 3ggv s ILE 15 N 1.23 -0.10 -1.20 5.43 1.01 -0.81 -1.01 121.20 125.76 3ggv s ILE 15 Ca 0.01 0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 3ggv s ILE 15 Cb -0.14 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.19 3ggv s ILE 15 CO -0.08 0.15 0.72 0.61 0.00 0.00 0.00 174.94 176.34 3ggv n GLY 16 N 4.97 -0.82 4.40 6.18 0.00 -1.26 -2.58 105.19 116.07 3ggv n GLY 16 Ca -0.11 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.75 1.57 3.75 -0.02 0.00 -1.26 -4.96 105.19 102.52 3ggv n GLY 17 Ca -0.14 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 3.07 -0.22 1.61 -0.21 -1.07 -5.01 119.66 117.84 3ggv s GLN 18 Ca 0.00 2.04 -0.14 0.00 0.02 0.00 0.00 55.36 57.28 3ggv s GLN 18 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3ggv s GLN 18 CO 0.00 -1.18 0.33 -0.51 -2.12 0.00 0.00 175.29 171.81 3ggv s LEU 19 N -3.75 4.13 0.38 2.90 1.43 -1.26 -1.93 118.68 120.58 3ggv s LEU 19 Ca 0.74 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 3ggv s LEU 19 Cb -0.36 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3ggv s LEU 19 CO 0.41 -0.05 0.07 -0.54 0.23 0.00 0.00 176.35 176.47 3ggv s LYS 20 N 1.31 1.82 -0.03 1.70 1.02 -0.09 -4.99 119.74 120.47 3ggv s LYS 20 Ca 0.15 -2.06 0.06 0.00 0.02 0.00 0.00 55.97 54.14 3ggv s LYS 20 Cb -0.14 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3ggv s LYS 20 CO 0.07 -0.29 -0.22 -2.00 -0.92 0.00 0.00 175.35 171.99 3ggv s GLU 21 N -3.82 1.97 0.01 1.68 2.12 -1.26 -0.70 118.70 118.69 3ggv s GLU 21 Ca 0.29 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 3ggv s GLU 21 Cb 0.06 -1.80 -0.01 0.00 0.26 0.00 0.00 34.13 32.64 3ggv s GLU 21 CO 0.14 0.41 0.02 0.00 -0.54 0.00 0.00 175.26 175.29 3ggv s ALA 22 N -0.33 -0.02 -0.18 6.30 0.00 0.18 -4.37 121.76 123.33 3ggv s ALA 22 Ca 0.03 -0.27 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 3ggv s ALA 22 Cb -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3ggv s ALA 22 CO 0.01 -0.11 0.55 -1.17 0.00 0.00 0.00 175.76 175.04 3ggv s LEU 23 N -0.91 4.18 -0.37 0.00 2.96 0.31 -0.91 118.68 123.94 3ggv s LEU 23 Ca -0.10 0.77 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 3ggv s LEU 23 Cb -0.06 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.86 3ggv s LEU 23 CO -0.00 -0.17 1.36 -0.76 -1.32 0.00 0.00 176.35 175.46 3ggv s LEU 24 N 1.50 3.70 -0.44 -0.68 1.02 -0.34 -0.38 118.68 123.06 3ggv s LEU 24 Ca 0.26 0.95 0.03 0.00 0.02 0.00 0.00 54.13 55.40 3ggv s LEU 24 Cb -0.16 -3.54 0.12 0.00 0.02 0.00 0.00 46.19 42.63 3ggv s LEU 24 CO 0.10 -1.30 0.19 -0.62 0.02 0.00 0.00 176.35 174.75 3ggv s ASP 25 N 3.45 4.26 0.54 2.29 -1.08 0.18 -4.77 116.67 121.54 3ggv s ASP 25 Ca 0.59 -2.61 0.32 0.00 -0.52 0.00 0.00 52.55 50.33 3ggv s ASP 25 Cb -0.15 -1.45 1.47 0.00 -1.46 0.00 0.00 42.92 41.34 3ggv s ASP 25 CO 0.29 -0.29 2.03 0.71 0.52 0.00 0.00 175.17 178.44 3ggv h THR 26 N 5.80 0.22 0.00 1.71 1.35 -1.93 -1.55 112.91 118.51 3ggv h THR 26 Ca -0.06 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3ggv h THR 26 Cb 0.94 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3ggv h THR 26 CO 0.59 0.06 0.00 1.23 -0.25 0.00 0.00 175.52 177.15 3ggv h GLY 27 N 1.49 0.00 -5.97 5.82 0.00 -1.94 -3.45 103.07 99.02 3ggv h GLY 27 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3ggv h GLY 27 CO 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.17 3ggv s ALA 28 N -3.27 3.64 0.01 3.60 0.00 -0.58 -5.02 121.76 120.14 3ggv s ALA 28 Ca 0.06 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.40 3ggv s ALA 28 Cb 0.10 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 3ggv s ALA 28 CO 0.48 0.15 1.07 -0.44 0.00 0.00 0.00 175.76 177.03 3ggv h ASP 29 N 6.51 -0.30 -2.14 0.00 3.45 -1.86 -2.51 116.42 119.56 3ggv h ASP 29 Ca -0.42 0.01 -0.45 0.00 0.43 0.00 0.00 57.03 56.60 3ggv h ASP 29 Cb 1.17 0.08 0.02 0.00 -0.56 0.00 0.00 39.33 40.03 3ggv h ASP 29 CO 0.74 -0.20 -0.24 -1.81 -1.57 0.00 0.00 179.24 176.16 3ggv s ASP 30 N -2.63 5.89 -0.35 6.45 1.01 -1.26 -1.65 116.67 124.13 3ggv s ASP 30 Ca -0.05 -0.02 -0.18 0.00 0.71 0.00 0.00 52.55 53.01 3ggv s ASP 30 Cb 0.01 -1.31 -0.00 0.00 1.01 0.00 0.00 42.92 42.62 3ggv s ASP 30 CO 0.15 -0.56 0.51 -0.89 0.21 0.00 0.00 175.17 174.59 3ggv s THR 31 N -2.33 5.02 -0.15 -1.27 2.01 -1.26 -3.37 115.64 114.29 3ggv s THR 31 Ca 0.47 0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.80 3ggv s THR 31 Cb -0.10 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.47 3ggv s THR 31 CO 0.34 -0.22 -0.21 0.54 -0.69 0.00 0.00 174.62 174.38 3ggv s VAL 32 N 2.37 2.06 0.19 3.82 0.11 -0.84 0.40 120.40 128.52 3ggv s VAL 32 Ca 0.18 -0.97 0.07 0.00 -2.93 0.00 0.00 61.98 58.33 3ggv s VAL 32 Cb -0.16 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 3ggv s VAL 32 CO 0.13 0.55 0.10 -0.76 -3.33 0.00 0.00 175.10 171.79 3ggv s LEU 33 N 0.94 3.61 0.72 2.54 1.43 0.64 -1.89 118.68 126.67 3ggv s LEU 33 Ca -0.04 -0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 3ggv s LEU 33 Cb -0.15 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.90 3ggv s LEU 33 CO -0.05 0.05 1.21 -1.61 0.23 0.00 0.00 176.35 176.18 3ggv s GLU 34 N -3.26 2.21 -0.38 1.70 2.02 -1.26 -2.19 118.70 117.53 3ggv s GLU 34 Ca 0.30 1.77 -0.40 0.00 0.02 0.00 0.00 54.97 56.66 3ggv s GLU 34 Cb -0.09 -1.84 -0.15 0.00 0.10 0.00 0.00 34.13 32.15 3ggv s GLU 34 CO 0.22 -1.78 2.00 -1.91 0.02 0.00 0.00 175.26 173.81 3ggv n GLU 35 N -2.62 0.74 -3.82 1.61 4.07 -1.24 -4.68 120.64 114.70 3ggv n GLU 35 Ca 0.13 0.23 -0.05 0.00 -0.06 0.00 0.00 57.16 57.41 3ggv n GLU 35 Cb 0.50 -2.04 -0.01 0.00 -0.06 0.00 0.00 31.44 29.83 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 5.14 1.56 -0.01 5.31 0.23 -1.26 -5.07 119.30 125.20 3ggv s MET 36 Ca 1.09 -0.88 0.04 0.00 -1.03 0.00 0.00 55.69 54.91 3ggv s MET 36 Cb -1.13 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 32.65 3ggv s MET 36 CO 0.61 -0.72 -0.12 -1.54 -2.03 0.00 0.00 175.02 171.22 3ggv s SER 37 N -2.96 4.23 0.06 -1.18 1.04 -1.26 -5.03 113.70 108.60 3ggv s SER 37 Ca 0.12 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.30 3ggv s SER 37 Cb -0.04 -0.90 -0.03 0.00 0.10 0.00 0.00 66.02 65.16 3ggv s SER 37 CO 0.05 0.30 0.04 -0.76 0.98 0.00 0.00 173.24 173.86 3ggv s LEU 38 N -1.14 2.11 0.91 2.42 1.02 -1.26 -5.00 118.68 117.74 3ggv s LEU 38 Ca 0.14 -0.84 -0.13 0.00 0.02 0.00 0.00 54.13 53.32 3ggv s LEU 38 Cb -0.11 0.47 0.14 0.00 0.02 0.00 0.00 46.19 46.71 3ggv s LEU 38 CO 0.04 -0.62 1.18 -2.16 0.02 0.00 0.00 176.35 174.82 3ggv s PRO 39 N -3.69 1.16 0.00 1.29 0.04 -1.26 -4.98 135.00 127.56 3ggv s PRO 39 Ca 0.04 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.16 3ggv s PRO 39 Cb 0.06 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.74 3ggv s PRO 39 CO -0.09 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.22 3ggv n GLY 40 N -2.79 0.18 3.73 0.56 0.00 -1.26 -5.00 105.19 100.62 3ggv n GLY 40 Ca 0.09 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 3ggv n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ggv n ARG 41 N -0.02 -0.48 -3.65 1.61 1.85 -1.26 -5.14 116.66 109.57 3ggv n ARG 41 Ca 0.00 -2.41 -0.14 0.00 -1.00 0.00 0.00 57.85 54.31 3ggv n ARG 41 Cb 0.00 -0.87 -0.06 0.00 -1.05 0.00 0.00 32.46 30.48 3ggv n ARG 41 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 3ggv s TRP 42 N -3.25 -0.32 0.10 2.89 1.48 -1.26 -4.70 118.94 113.89 3ggv s TRP 42 Ca 0.67 0.36 0.05 0.00 -1.06 0.00 0.00 56.10 56.12 3ggv s TRP 42 Cb -0.03 0.24 -0.04 0.00 -1.16 0.00 0.00 33.47 32.48 3ggv s TRP 42 CO 0.45 -0.56 -0.01 0.15 -4.06 0.00 0.00 176.95 172.93 3ggv s LYS 43 N -2.15 2.49 0.30 3.25 1.02 -1.11 -4.89 119.74 118.65 3ggv s LYS 43 Ca -0.07 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 54.75 3ggv s LYS 43 Cb -0.01 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 3ggv s LYS 43 CO 0.00 0.53 0.99 -2.14 -0.92 0.00 0.00 175.35 173.80 3ggv s PRO 44 N -2.40 4.62 -0.09 -1.68 0.02 -1.26 -0.77 135.00 133.44 3ggv s PRO 44 Ca 0.26 1.49 -0.12 0.00 0.02 0.00 0.00 61.00 62.65 3ggv s PRO 44 Cb -0.11 -2.98 0.03 0.00 0.02 0.00 0.00 34.50 31.45 3ggv s PRO 44 CO 0.18 0.28 0.31 0.21 -0.33 0.00 0.00 177.00 177.65 3ggv s LYS 45 N -1.73 0.43 0.15 5.54 2.20 -0.93 -4.95 119.74 120.45 3ggv s LYS 45 Ca 0.47 0.28 -0.22 0.00 -0.36 0.00 0.00 55.97 56.14 3ggv s LYS 45 Cb -0.24 0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 36.21 3ggv s LYS 45 CO 0.30 -0.07 0.71 -1.64 -0.36 0.00 0.00 175.35 174.28 3ggv s MET 46 N -0.19 4.40 -0.01 4.03 -1.94 -1.26 -1.39 119.30 122.93 3ggv s MET 46 Ca -0.03 0.98 0.07 0.00 -1.71 0.00 0.00 55.69 55.00 3ggv s MET 46 Cb -0.03 -3.17 -0.02 0.00 2.01 0.00 0.00 34.83 33.62 3ggv s MET 46 CO 0.01 0.55 -0.23 0.96 -0.01 0.00 0.00 175.02 176.31 3ggv s ILE 47 N -1.22 1.80 0.00 2.53 -4.36 -1.05 -4.98 121.20 113.92 3ggv s ILE 47 Ca 0.35 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 3ggv s ILE 47 Cb -0.21 -1.50 0.00 0.00 1.25 0.00 0.00 42.46 42.00 3ggv s ILE 47 CO 0.23 0.49 0.35 0.61 0.24 0.00 0.00 174.94 176.86 3ggv n GLY 48 N 2.46 -1.25 0.99 6.27 0.00 -1.26 -2.69 105.19 109.71 3ggv n GLY 48 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.56 -2.44 0.15 -0.02 0.00 -1.26 -3.69 105.19 98.49 3ggv n GLY 49 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.95 0.00 -0.00 -0.61 6.09 -2.04 -3.34 117.51 116.65 3ggv h ILE 50 Ca -0.06 -0.49 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 3ggv h ILE 50 Cb 0.93 1.42 0.00 0.00 0.47 0.00 0.00 36.82 39.64 3ggv h ILE 50 CO 0.03 0.00 -0.12 0.61 -3.07 0.00 0.00 178.15 175.61 3ggv n GLY 51 N 0.76 0.19 0.00 8.18 0.00 -1.26 -5.12 105.19 107.94 3ggv n GLY 51 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.84 2.74 3.84 -0.02 0.00 -1.26 -5.12 105.19 106.21 3ggv n GLY 52 Ca 0.01 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.80 3.35 0.28 1.61 0.40 -1.24 -4.44 117.98 116.13 3ggv s PHE 53 Ca 0.00 1.39 0.09 0.00 -0.60 0.00 0.00 56.93 57.81 3ggv s PHE 53 Cb 0.00 -2.67 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 3ggv s PHE 53 CO 0.00 -0.00 -0.13 0.96 0.70 0.00 0.00 175.22 176.74 3ggv s ILE 54 N -2.08 2.07 -0.14 0.64 -4.36 -1.09 -4.97 121.20 111.26 3ggv s ILE 54 Ca 0.58 -2.26 -0.10 0.00 -0.26 0.00 0.00 60.65 58.60 3ggv s ILE 54 Cb -0.10 -2.35 -0.05 0.00 1.25 0.00 0.00 42.46 41.22 3ggv s ILE 54 CO 0.16 -0.38 0.20 -0.54 0.24 0.00 0.00 174.94 174.62 3ggv s LYS 55 N -3.61 3.94 0.10 0.37 3.01 -1.26 -2.54 119.74 119.74 3ggv s LYS 55 Ca 0.29 -0.05 0.01 0.00 -1.01 0.00 0.00 55.97 55.20 3ggv s LYS 55 Cb -0.00 -3.33 -0.04 0.00 -1.01 0.00 0.00 37.83 33.45 3ggv s LYS 55 CO 0.13 0.48 -0.03 0.14 0.51 0.00 0.00 175.35 176.58 3ggv s VAL 56 N -0.21 0.49 -0.10 3.17 -7.23 -0.48 -4.68 120.40 111.36 3ggv s VAL 56 Ca 0.14 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 3ggv s VAL 56 Cb -0.12 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 3ggv s VAL 56 CO 0.03 -0.77 0.28 -0.13 -0.31 0.00 0.00 175.10 174.19 3ggv s ARG 57 N -3.90 3.89 -0.18 4.82 0.52 -0.23 -2.20 118.95 121.67 3ggv s ARG 57 Ca 0.15 0.12 -0.03 0.00 -0.52 0.00 0.00 55.73 55.45 3ggv s ARG 57 Cb 0.06 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 3ggv s ARG 57 CO -0.04 0.56 -0.06 -1.14 0.02 0.00 0.00 175.30 174.64 3ggv s GLN 58 N -0.50 3.47 -0.12 3.54 0.74 0.05 -1.26 119.66 125.57 3ggv s GLN 58 Ca 0.18 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 55.01 3ggv s GLN 58 Cb -0.14 -2.90 -0.00 0.00 1.10 0.00 0.00 33.01 31.07 3ggv s GLN 58 CO 0.07 0.02 -0.20 0.71 -0.55 0.00 0.00 175.29 175.34 3ggv s TYR 59 N 0.92 2.67 0.36 1.67 1.51 -0.59 -2.77 117.35 121.12 3ggv s TYR 59 Ca -0.01 -1.00 0.02 0.00 -1.01 0.00 0.00 57.07 55.06 3ggv s TYR 59 Cb -0.15 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 3ggv s TYR 59 CO 0.01 -0.41 0.55 -0.51 -1.11 0.00 0.00 175.55 174.07 3ggv s ASP 60 N 0.49 6.16 -1.20 2.29 1.11 -1.26 -0.57 116.67 123.70 3ggv s ASP 60 Ca -0.13 0.31 -0.32 0.00 0.18 0.00 0.00 52.55 52.58 3ggv s ASP 60 Cb -0.17 -1.82 0.04 0.00 1.07 0.00 0.00 42.92 42.04 3ggv s ASP 60 CO 0.05 -0.37 0.70 0.00 1.18 0.00 0.00 175.17 176.73 3ggv n GLN 61 N -1.79 -0.42 -4.38 8.23 1.13 -1.25 -4.83 117.38 114.07 3ggv n GLN 61 Ca -0.03 0.15 -0.35 0.00 -1.94 0.00 0.00 57.00 54.83 3ggv n GLN 61 Cb 0.57 -2.79 -0.10 0.00 0.11 0.00 0.00 30.24 28.03 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 -3.51 4.26 -0.46 5.09 -1.09 -0.84 -4.74 121.20 119.91 3ggv s ILE 62 Ca 0.49 -0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 3ggv s ILE 62 Cb -0.25 -2.80 0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3ggv s ILE 62 CO 0.95 0.59 0.88 -0.22 -1.23 0.00 0.00 174.94 175.91 3ggv s LEU 63 N -0.74 4.10 -0.13 2.97 2.96 -1.26 -0.50 118.68 126.07 3ggv s LEU 63 Ca 0.12 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3ggv s LEU 63 Cb -0.12 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 3ggv s LEU 63 CO 0.02 -1.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.34 3ggv s ILE 64 N 3.60 3.63 -0.36 6.68 1.01 0.30 -4.46 121.20 131.61 3ggv s ILE 64 Ca 0.34 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 3ggv s ILE 64 Cb -0.11 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3ggv s ILE 64 CO 0.25 0.52 0.30 -0.70 0.00 0.00 0.00 174.94 175.31 3ggv s GLU 65 N 0.15 3.41 -0.26 2.79 2.12 -0.18 -0.53 118.70 126.20 3ggv s GLU 65 Ca -0.03 -0.64 -0.03 0.00 0.36 0.00 0.00 54.97 54.64 3ggv s GLU 65 Cb -0.14 -3.84 0.02 0.00 0.26 0.00 0.00 34.13 30.43 3ggv s GLU 65 CO 0.03 -0.54 -0.03 0.42 -0.54 0.00 0.00 175.26 174.60 3ggv s ILE 66 N 1.83 3.09 -1.37 -3.70 1.01 0.02 -0.33 121.20 121.75 3ggv s ILE 66 Ca 0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 3ggv s ILE 66 Cb -0.17 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.72 3ggv s ILE 66 CO 0.11 0.17 0.41 0.00 0.00 0.00 0.00 174.94 175.63 3ggv n GLY 68 N -2.12 1.58 3.08 0.00 0.00 -1.26 -5.01 105.19 101.46 3ggv n GLY 68 Ca -0.25 -0.31 -0.56 0.00 0.00 0.00 0.00 46.02 44.90 3ggv n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ggv n HIS 69 N 0.00 1.42 -2.11 1.61 -0.00 -0.38 -4.87 115.22 110.89 3ggv n HIS 69 Ca 0.00 0.93 -0.32 0.00 -0.00 0.00 0.00 57.72 58.33 3ggv n HIS 69 Cb 0.00 -1.85 -0.01 0.00 -0.00 0.00 0.00 29.99 28.13 3ggv n HIS 69 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 3ggv s LYS 70 N 2.67 3.64 -0.22 -0.41 1.02 -1.26 -0.80 119.74 124.37 3ggv s LYS 70 Ca 0.88 0.95 -0.27 0.00 0.02 0.00 0.00 55.97 57.55 3ggv s LYS 70 Cb -1.24 -2.09 0.08 0.00 -0.52 0.00 0.00 37.83 34.06 3ggv s LYS 70 CO 0.67 -0.53 0.79 0.00 -0.92 0.00 0.00 175.35 175.36 3ggv s ALA 71 N -2.78 -1.82 0.07 5.17 0.00 0.30 -4.73 121.76 117.96 3ggv s ALA 71 Ca 0.59 1.83 0.06 0.00 0.00 0.00 0.00 51.96 54.44 3ggv s ALA 71 Cb -0.12 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3ggv s ALA 71 CO 0.41 -0.32 -0.12 0.42 0.00 0.00 0.00 175.76 176.14 3ggv s ILE 72 N -0.07 3.24 0.00 0.00 1.01 -1.26 0.11 121.20 124.24 3ggv s ILE 72 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.47 3ggv s ILE 72 Cb -0.04 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.97 3ggv s ILE 72 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3ggv n GLY 73 N 1.09 0.44 3.74 6.18 0.00 0.35 -4.84 105.19 112.15 3ggv n GLY 73 Ca -0.15 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.96 1.86 -3.87 2.61 -1.04 -1.26 -1.99 114.28 109.64 3ggv n THR 74 Ca 0.00 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.38 3ggv n THR 74 Cb 0.00 -1.80 -0.16 0.00 -1.82 0.00 0.00 70.33 66.55 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 -0.96 0.11 -0.02 12.58 1.01 0.26 -4.47 120.40 128.92 3ggv s VAL 75 Ca 0.56 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 3ggv s VAL 75 Cb -0.52 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3ggv s VAL 75 CO 0.61 0.14 0.22 -0.76 0.00 0.00 0.00 175.10 175.31 3ggv s LEU 76 N 1.16 4.37 -0.09 3.92 1.43 0.16 -1.54 118.68 128.09 3ggv s LEU 76 Ca -0.08 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3ggv s LEU 76 Cb -0.13 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.55 3ggv s LEU 76 CO -0.02 0.28 -0.09 -0.69 0.23 0.00 0.00 176.35 176.05 3ggv s VAL 77 N -1.27 1.05 -0.02 -1.59 1.01 -0.39 0.23 120.40 119.44 3ggv s VAL 77 Ca 0.25 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3ggv s VAL 77 Cb -0.13 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.27 3ggv s VAL 77 CO 0.15 0.36 0.65 0.61 0.00 0.00 0.00 175.10 176.87 3ggv n GLY 78 N 4.46 0.40 3.57 4.51 0.00 -0.93 -1.07 105.19 116.13 3ggv n GLY 78 Ca -0.17 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 3ggv n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ggv s PRO 79 N -2.01 2.70 -0.08 1.61 0.04 -1.26 -3.62 135.00 132.39 3ggv s PRO 79 Ca 0.15 -0.89 0.03 0.00 0.04 0.00 0.00 61.00 60.33 3ggv s PRO 79 Cb -0.00 -5.20 -0.02 0.00 0.04 0.00 0.00 34.50 29.32 3ggv s PRO 79 CO -0.01 -3.51 -0.18 -0.08 0.04 0.00 0.00 177.00 173.27 3ggv s THR 80 N 9.76 2.65 0.27 1.26 -1.32 -1.26 -5.04 115.64 121.95 3ggv s THR 80 Ca 0.66 -0.84 0.01 0.00 -1.21 0.00 0.00 61.69 60.31 3ggv s THR 80 Cb -0.03 -2.04 0.26 0.00 -1.51 0.00 0.00 72.50 69.18 3ggv s THR 80 CO 0.06 0.56 1.76 -0.65 -2.21 0.00 0.00 174.62 174.14 3ggv h PRO 81 N 6.11 0.63 -4.84 7.08 0.11 -1.98 -3.44 132.00 135.66 3ggv h PRO 81 Ca -0.33 -0.04 -0.36 0.00 0.11 0.00 0.00 66.00 65.38 3ggv h PRO 81 Cb 1.19 -0.14 -0.14 0.00 0.11 0.00 0.00 31.00 32.01 3ggv h PRO 81 CO 0.51 0.41 -0.59 0.14 -0.21 0.00 0.00 178.00 178.26 3ggv s VAL 82 N -5.94 0.37 -0.20 3.15 -7.23 -1.26 -5.09 120.40 104.19 3ggv s VAL 82 Ca -0.12 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.77 3ggv s VAL 82 Cb 0.23 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 3ggv s VAL 82 CO 0.78 0.00 0.97 0.20 -0.31 0.00 0.00 175.10 176.74 3ggv s ASN 83 N -3.32 7.06 -0.31 4.85 0.01 -1.26 -4.57 114.94 117.40 3ggv s ASN 83 Ca 0.37 1.32 -0.02 0.00 -0.71 0.00 0.00 52.86 53.82 3ggv s ASN 83 Cb 0.06 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 39.26 3ggv s ASN 83 CO 0.15 -0.56 0.02 -0.63 -1.51 0.00 0.00 177.10 174.57 3ggv s ILE 84 N 2.77 3.08 -0.18 0.60 1.01 -0.79 0.12 121.20 127.81 3ggv s ILE 84 Ca 0.42 -1.38 -0.22 0.00 0.00 0.00 0.00 60.65 59.48 3ggv s ILE 84 Cb -0.16 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 3ggv s ILE 84 CO 0.09 -0.14 0.67 -0.63 0.00 0.00 0.00 174.94 174.94 3ggv s ILE 85 N 1.26 5.00 0.00 2.92 1.01 0.49 -1.99 121.20 129.89 3ggv s ILE 85 Ca -0.04 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.90 3ggv s ILE 85 Cb -0.20 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3ggv s ILE 85 CO -0.01 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3ggv n GLY 86 N 3.66 1.70 0.09 6.18 0.00 -1.22 -0.65 105.19 114.96 3ggv n GLY 86 Ca -0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 -0.40 1.61 3.08 -0.84 -1.94 114.38 115.88 3ggv h ARG 87 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 3ggv h ARG 87 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ggv h ARG 87 CO 0.00 0.77 0.36 -2.95 -1.07 0.00 0.00 179.97 177.08 3ggv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.83 -1.91 115.58 117.81 3ggv h ASN 88 Ca -0.03 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.20 3ggv h ASN 88 Cb 1.65 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.87 3ggv h ASN 88 CO 0.10 0.00 -1.67 0.18 0.07 0.00 0.00 177.43 176.12 3ggv n LEU 89 N -4.00 0.00 0.20 6.14 4.77 -1.21 -4.60 117.00 118.30 3ggv n LEU 89 Ca 0.07 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 3ggv n LEU 89 Cb 0.54 0.19 0.51 0.00 -2.33 0.00 0.00 43.42 42.33 3ggv n LEU 89 CO 0.31 0.19 0.95 -0.07 -1.33 0.00 0.00 177.39 177.44 3ggv h LEU 90 N 0.00 0.06 -0.71 2.23 3.38 -0.87 -2.60 115.31 116.81 3ggv h LEU 90 Ca -0.21 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3ggv h LEU 90 Cb 1.35 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3ggv h LEU 90 CO 0.01 0.18 -0.06 0.71 0.09 0.00 0.00 178.44 179.37 3ggv h THR 91 N 0.07 1.26 0.00 0.22 1.35 -1.61 -2.15 112.91 112.05 3ggv h THR 91 Ca 0.01 -1.17 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 3ggv h THR 91 Cb 0.24 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 3ggv h THR 91 CO 0.02 0.41 -0.19 1.56 -0.25 0.00 0.00 175.52 177.07 3ggv h GLN 92 N 0.84 0.00 -0.22 4.72 1.08 -1.72 -2.30 115.11 117.51 3ggv h GLN 92 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3ggv h GLN 92 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3ggv h GLN 92 CO 0.04 0.19 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 3ggv n ILE 93 N -3.51 0.29 -2.89 2.54 -5.35 -1.21 -4.91 119.36 104.31 3ggv n ILE 93 Ca -0.01 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 61.94 3ggv n ILE 93 Cb 0.35 0.43 0.03 0.00 -1.74 0.00 0.00 39.64 38.71 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 1.17 0.17 3.74 3.28 0.00 -0.86 -5.00 105.19 107.69 3ggv n GLY 94 Ca 0.16 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 0.13 0.12 -0.25 0.00 -1.32 -1.26 -4.73 115.64 108.33 3ggv s THR 96 Ca 0.35 -0.97 -0.11 0.00 -1.21 0.00 0.00 61.69 59.75 3ggv s THR 96 Cb -0.19 -0.53 -0.05 0.00 -1.51 0.00 0.00 72.50 70.23 3ggv s THR 96 CO 0.19 -0.53 0.17 -0.22 -2.21 0.00 0.00 174.62 172.02 3ggv s LEU 97 N -1.69 4.10 -0.29 9.08 2.96 -1.26 -5.05 118.68 126.52 3ggv s LEU 97 Ca -0.12 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3ggv s LEU 97 Cb -0.06 -2.12 0.09 0.00 0.50 0.00 0.00 46.19 44.60 3ggv s LEU 97 CO -0.02 0.04 0.08 0.20 -1.32 0.00 0.00 176.35 175.33 3ggv s ASN 98 N 1.21 3.87 0.00 3.68 -0.87 -1.26 -5.31 114.94 116.26 3ggv s ASN 98 Ca 0.08 -1.51 0.04 0.00 -1.57 0.00 0.00 52.86 49.90 3ggv s ASN 98 Cb -0.14 -0.84 0.03 0.00 -0.02 0.00 0.00 41.25 40.28 3ggv s ASN 98 CO 0.06 -0.39 0.62 2.22 -2.57 0.00 0.00 177.10 177.03