#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 3.75 -0.28 0.54 0.74 -1.26 -5.04 119.66 118.10 3ggv s GLN 2 Ca 0.00 -3.00 -0.29 0.00 0.05 0.00 0.00 55.36 52.12 3ggv s GLN 2 Cb 0.00 -4.34 -0.02 0.00 1.10 0.00 0.00 33.01 29.75 3ggv s GLN 2 CO 0.00 -1.25 1.58 0.42 -0.55 0.00 0.00 175.29 175.49 3ggv s ILE 3 N -0.86 3.74 0.84 -2.34 1.01 -1.26 -5.02 121.20 117.31 3ggv s ILE 3 Ca 0.26 0.81 -0.09 0.00 0.00 0.00 0.00 60.65 61.63 3ggv s ILE 3 Cb -0.10 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.70 3ggv s ILE 3 CO -0.09 -0.41 1.16 0.42 0.00 0.00 0.00 174.94 176.02 3ggv s THR 4 N 5.45 2.08 -0.09 2.92 -4.23 -1.26 -5.05 115.64 115.47 3ggv s THR 4 Ca 0.70 -0.25 0.13 0.00 -1.18 0.00 0.00 61.69 61.08 3ggv s THR 4 Cb -0.22 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 70.99 3ggv s THR 4 CO 0.30 0.00 1.08 0.18 -0.54 0.00 0.00 174.62 175.64 3ggv n LEU 5 N -3.30 1.92 0.29 4.79 4.77 -1.26 -4.62 117.00 119.59 3ggv n LEU 5 Ca 0.14 -2.53 0.18 0.00 -0.03 0.00 0.00 56.01 53.77 3ggv n LEU 5 Cb 0.60 -0.28 0.80 0.00 -2.33 0.00 0.00 43.42 42.20 3ggv n LEU 5 CO 0.46 0.59 1.03 -0.50 -1.33 0.00 0.00 177.39 177.64 3ggv h TRP 6 N 0.00 0.00 -3.18 -1.77 4.06 -2.04 -3.44 115.95 109.57 3ggv h TRP 6 Ca 0.00 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.53 3ggv h TRP 6 Cb 0.96 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 3ggv h TRP 6 CO 0.01 0.00 -0.62 -0.65 -3.56 0.00 0.00 178.44 173.63 3ggv s GLN 7 N -3.77 1.54 0.07 0.49 -0.21 -1.26 -5.11 119.66 111.41 3ggv s GLN 7 Ca -0.00 -1.84 -0.31 0.00 0.02 0.00 0.00 55.36 53.23 3ggv s GLN 7 Cb 0.10 -0.65 -0.08 0.00 1.00 0.00 0.00 33.01 33.37 3ggv s GLN 7 CO 0.52 -0.21 1.65 1.03 -2.12 0.00 0.00 175.29 176.16 3ggv s ARG 8 N -3.93 4.20 -0.40 2.91 0.52 -1.26 -4.82 118.95 116.16 3ggv s ARG 8 Ca 0.36 2.33 -0.25 0.00 -0.52 0.00 0.00 55.73 57.66 3ggv s ARG 8 Cb 0.08 -3.59 -0.25 0.00 0.52 0.00 0.00 34.95 31.71 3ggv s ARG 8 CO 0.14 -0.73 1.75 -0.35 0.02 0.00 0.00 175.30 176.13 3ggv n PRO 9 N 5.57 0.79 -3.13 3.54 -0.04 -1.26 -4.83 135.00 135.63 3ggv n PRO 9 Ca 0.16 -1.40 -0.40 0.00 -0.04 0.00 0.00 63.50 61.81 3ggv n PRO 9 Cb 0.40 -2.68 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 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 0.56 4.09 0.10 1.53 1.43 -1.26 -1.78 118.68 123.35 3ggv s LEU 10 Ca 0.60 0.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.52 3ggv s LEU 10 Cb 0.14 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3ggv s LEU 10 CO 0.22 -0.32 -0.22 0.54 0.23 0.00 0.00 176.35 176.79 3ggv s VAL 11 N 2.22 1.85 0.28 -1.59 0.11 0.13 -4.94 120.40 118.46 3ggv s VAL 11 Ca 0.26 -1.55 -0.11 0.00 -2.93 0.00 0.00 61.98 57.65 3ggv s VAL 11 Cb -0.16 -1.66 -0.08 0.00 -1.53 0.00 0.00 36.38 32.96 3ggv s VAL 11 CO 0.09 0.02 0.63 0.42 -3.33 0.00 0.00 175.10 172.93 3ggv s THR 12 N -1.09 4.83 0.31 5.04 -4.23 -1.26 -0.34 115.64 118.90 3ggv s THR 12 Ca 0.08 0.63 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 3ggv s THR 12 Cb -0.10 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 3ggv s THR 12 CO 0.04 -0.16 0.19 0.27 -0.54 0.00 0.00 174.62 174.43 3ggv s ILE 13 N -1.93 0.19 -0.07 2.99 -4.36 0.62 -2.71 121.20 115.93 3ggv s ILE 13 Ca 0.50 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.86 3ggv s ILE 13 Cb -0.11 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.15 3ggv s ILE 13 CO 0.21 0.00 0.09 -0.75 0.24 0.00 0.00 174.94 174.73 3ggv s LYS 14 N -3.73 -0.03 -0.01 0.37 2.20 -0.01 -0.91 119.74 117.63 3ggv s LYS 14 Ca 0.37 0.38 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 3ggv s LYS 14 Cb 0.04 -0.59 -0.00 0.00 -1.51 0.00 0.00 37.83 35.77 3ggv s LYS 14 CO 0.20 -0.36 -0.06 0.42 -0.36 0.00 0.00 175.35 175.19 3ggv s ILE 15 N 2.20 0.46 -0.97 5.43 1.01 -0.76 -1.74 121.20 126.83 3ggv s ILE 15 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 3ggv s ILE 15 Cb -0.12 -0.40 0.08 0.00 0.01 0.00 0.00 42.46 42.02 3ggv s ILE 15 CO -0.05 0.14 0.30 0.61 0.00 0.00 0.00 174.94 175.95 3ggv n GLY 16 N 3.08 -0.47 2.32 6.18 0.00 -1.26 0.81 105.19 115.85 3ggv n GLY 16 Ca -0.15 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.89 0.63 3.48 -0.02 0.00 -1.26 -5.03 105.19 102.09 3ggv n GLY 17 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.90 2.58 -0.16 1.61 -0.21 0.24 -5.10 119.66 114.73 3ggv s GLN 18 Ca 0.00 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 54.40 3ggv s GLN 18 Cb 0.00 -2.41 -0.01 0.00 1.00 0.00 0.00 33.01 31.59 3ggv s GLN 18 CO 0.00 0.60 1.17 -0.51 -2.12 0.00 0.00 175.29 174.43 3ggv s LEU 19 N -0.66 4.18 0.15 2.90 1.43 -1.26 -1.82 118.68 123.60 3ggv s LEU 19 Ca 0.10 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 3ggv s LEU 19 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3ggv s LEU 19 CO 0.01 -0.68 -0.00 -0.54 0.23 0.00 0.00 176.35 175.37 3ggv s LYS 20 N 3.07 1.02 -0.06 1.70 1.02 -0.09 -4.98 119.74 121.43 3ggv s LYS 20 Ca 0.51 -1.48 0.06 0.00 0.02 0.00 0.00 55.97 55.09 3ggv s LYS 20 Cb -0.20 -0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.94 3ggv s LYS 20 CO 0.14 -0.13 -0.24 -2.00 -0.92 0.00 0.00 175.35 172.19 3ggv s GLU 21 N -3.93 2.56 0.11 1.68 2.12 -1.26 0.23 118.70 120.22 3ggv s GLU 21 Ca 0.22 -0.89 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 3ggv s GLU 21 Cb 0.06 -2.19 -0.03 0.00 0.26 0.00 0.00 34.13 32.23 3ggv s GLU 21 CO 0.02 0.40 0.08 0.00 -0.54 0.00 0.00 175.26 175.22 3ggv s ALA 22 N -0.19 0.53 -0.27 6.30 0.00 0.54 -4.36 121.76 124.30 3ggv s ALA 22 Ca -0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 3ggv s ALA 22 Cb -0.13 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3ggv s ALA 22 CO 0.03 -0.49 0.08 -1.17 0.00 0.00 0.00 175.76 174.21 3ggv s LEU 23 N -2.99 3.64 -0.31 0.00 2.96 0.26 -0.69 118.68 121.55 3ggv s LEU 23 Ca 0.17 -0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 53.36 3ggv s LEU 23 Cb 0.07 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3ggv s LEU 23 CO -0.03 -0.11 2.11 -0.76 -1.32 0.00 0.00 176.35 176.25 3ggv s LEU 24 N 1.56 3.44 -0.60 -0.68 1.02 -0.74 -0.88 118.68 121.81 3ggv s LEU 24 Ca 0.05 1.54 0.04 0.00 0.02 0.00 0.00 54.13 55.78 3ggv s LEU 24 Cb -0.16 -3.32 0.15 0.00 0.02 0.00 0.00 46.19 42.88 3ggv s LEU 24 CO 0.03 -2.05 0.38 -0.62 0.02 0.00 0.00 176.35 174.11 3ggv s ASP 25 N 8.24 4.38 0.57 2.29 -1.08 -0.73 -4.81 116.67 125.53 3ggv s ASP 25 Ca 0.93 -3.40 0.26 0.00 -0.52 0.00 0.00 52.55 49.82 3ggv s ASP 25 Cb -0.27 -1.53 1.61 0.00 -1.46 0.00 0.00 42.92 41.27 3ggv s ASP 25 CO 0.33 -0.16 2.15 0.71 0.52 0.00 0.00 175.17 178.71 3ggv h THR 26 N 4.89 0.61 -0.05 1.71 1.35 -1.92 -0.42 112.91 119.08 3ggv h THR 26 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3ggv h THR 26 Cb 0.83 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3ggv h THR 26 CO 0.67 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 3ggv n GLY 27 N -1.43 -0.40 3.51 5.82 0.00 -1.26 -4.78 105.19 106.66 3ggv n GLY 27 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.93 3.12 0.08 4.61 0.00 -0.17 -5.02 121.76 122.46 3ggv s ALA 28 Ca 0.35 -0.88 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 3ggv s ALA 28 Cb 0.18 -1.76 -0.16 0.00 0.00 0.00 0.00 23.12 21.37 3ggv s ALA 28 CO 0.28 0.03 1.68 -0.44 0.00 0.00 0.00 175.76 177.31 3ggv h ASP 29 N 7.08 -0.41 -1.91 0.00 3.45 -1.86 -0.80 116.42 121.97 3ggv h ASP 29 Ca -0.35 0.02 -0.47 0.00 0.43 0.00 0.00 57.03 56.66 3ggv h ASP 29 Cb 1.18 0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.04 3ggv h ASP 29 CO 0.64 -0.28 -0.42 -1.81 -1.57 0.00 0.00 179.24 175.80 3ggv s ASP 30 N -4.79 5.67 -0.22 6.45 1.01 -1.26 -2.66 116.67 120.87 3ggv s ASP 30 Ca -0.15 -0.30 -0.14 0.00 0.71 0.00 0.00 52.55 52.67 3ggv s ASP 30 Cb 0.05 -1.21 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 3ggv s ASP 30 CO 0.64 -0.32 0.32 -0.89 0.21 0.00 0.00 175.17 175.14 3ggv s THR 31 N -2.20 5.25 -0.13 -1.27 2.01 -1.26 -3.14 115.64 114.89 3ggv s THR 31 Ca 0.41 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 3ggv s THR 31 Cb -0.08 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.81 3ggv s THR 31 CO 0.28 0.27 -0.03 0.54 -0.69 0.00 0.00 174.62 174.99 3ggv s VAL 32 N 1.29 0.81 0.24 3.82 0.11 -0.90 -0.92 120.40 124.85 3ggv s VAL 32 Ca 0.15 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 3ggv s VAL 32 Cb -0.14 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 3ggv s VAL 32 CO 0.07 0.19 0.43 -0.76 -3.33 0.00 0.00 175.10 171.70 3ggv s LEU 33 N 1.78 4.18 0.88 2.54 1.43 0.23 -1.46 118.68 128.26 3ggv s LEU 33 Ca 0.03 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3ggv s LEU 33 Cb -0.14 -3.17 0.12 0.00 0.03 0.00 0.00 46.19 43.03 3ggv s LEU 33 CO -0.07 -0.11 1.09 -1.61 0.23 0.00 0.00 176.35 175.88 3ggv s GLU 34 N -3.66 1.38 -0.40 1.70 2.02 -1.26 -1.79 118.70 116.69 3ggv s GLU 34 Ca 0.38 0.85 -0.28 0.00 0.02 0.00 0.00 54.97 55.94 3ggv s GLU 34 Cb -0.10 -1.82 -0.08 0.00 0.10 0.00 0.00 34.13 32.23 3ggv s GLU 34 CO 0.31 -2.17 2.33 -1.91 0.02 0.00 0.00 175.26 173.84 3ggv n GLU 35 N -3.84 1.32 -4.32 1.61 4.07 -0.87 -4.52 120.64 114.09 3ggv n GLU 35 Ca 0.07 0.24 -0.17 0.00 -0.06 0.00 0.00 57.16 57.24 3ggv n GLU 35 Cb 0.55 -3.10 -0.10 0.00 -0.06 0.00 0.00 31.44 28.72 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 7.31 1.44 -0.14 5.31 0.23 -1.26 -5.05 119.30 127.14 3ggv s MET 36 Ca 1.03 -1.78 -0.11 0.00 -1.03 0.00 0.00 55.69 53.80 3ggv s MET 36 Cb -0.40 -0.27 -0.05 0.00 -1.53 0.00 0.00 34.83 32.58 3ggv s MET 36 CO 0.34 -0.31 0.21 -1.54 -2.03 0.00 0.00 175.02 171.70 3ggv s SER 37 N -3.33 6.40 0.06 -1.18 1.04 -1.26 -5.04 113.70 110.39 3ggv s SER 37 Ca 0.37 0.47 0.01 0.00 0.48 0.00 0.00 55.95 57.29 3ggv s SER 37 Cb 0.08 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 64.04 3ggv s SER 37 CO 0.14 0.25 -0.06 -0.76 0.98 0.00 0.00 173.24 173.78 3ggv s LEU 38 N -0.22 2.36 1.04 2.42 1.43 -1.26 -5.03 118.68 119.43 3ggv s LEU 38 Ca 0.15 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 3ggv s LEU 38 Cb -0.13 -0.07 0.21 0.00 0.03 0.00 0.00 46.19 46.24 3ggv s LEU 38 CO 0.03 -0.34 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 3ggv s PRO 39 N -2.54 0.05 0.00 1.29 0.04 -1.26 -4.97 135.00 127.61 3ggv s PRO 39 Ca -0.02 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3ggv s PRO 39 Cb -0.03 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.81 3ggv s PRO 39 CO -0.02 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.45 3ggv n GLY 40 N -0.88 -0.73 3.94 0.56 0.00 -1.26 -5.01 105.19 101.80 3ggv n GLY 40 Ca 0.05 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.45 1.85 0.13 1.61 1.70 -1.26 -5.12 118.95 115.42 3ggv s ARG 41 Ca 0.00 -0.37 -0.20 0.00 -0.47 0.00 0.00 55.73 54.69 3ggv s ARG 41 Cb 0.00 -2.12 0.05 0.00 -0.57 0.00 0.00 34.95 32.31 3ggv s ARG 41 CO 0.00 -1.49 0.52 1.67 -1.08 0.00 0.00 175.30 174.92 3ggv s TRP 42 N -3.37 -0.40 -0.11 5.89 1.48 -1.26 -4.65 118.94 116.52 3ggv s TRP 42 Ca 0.63 0.19 -0.01 0.00 -1.06 0.00 0.00 56.10 55.85 3ggv s TRP 42 Cb -0.09 0.42 -0.03 0.00 -1.16 0.00 0.00 33.47 32.61 3ggv s TRP 42 CO 0.46 -0.77 -0.06 0.15 -4.06 0.00 0.00 176.95 172.68 3ggv s LYS 43 N -3.58 3.21 0.34 3.25 1.02 -0.94 -4.90 119.74 118.14 3ggv s LYS 43 Ca 0.01 -0.54 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 3ggv s LYS 43 Cb 0.00 -2.74 -0.10 0.00 -0.52 0.00 0.00 37.83 34.47 3ggv s LYS 43 CO -0.11 0.45 0.93 -1.25 -0.92 0.00 0.00 175.35 174.45 3ggv s PRO 44 N -0.22 4.51 0.06 -1.68 0.05 -1.26 -0.77 135.00 135.69 3ggv s PRO 44 Ca 0.03 1.27 -0.12 0.00 0.05 0.00 0.00 61.00 62.23 3ggv s PRO 44 Cb -0.13 -2.70 0.01 0.00 0.05 0.00 0.00 34.50 31.73 3ggv s PRO 44 CO 0.03 0.23 0.26 0.21 0.05 0.00 0.00 177.00 177.78 3ggv s LYS 45 N -2.24 0.81 -0.14 4.56 2.20 -0.77 -4.93 119.74 119.23 3ggv s LYS 45 Ca 0.52 -0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 55.44 3ggv s LYS 45 Cb -0.17 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 3ggv s LYS 45 CO 0.22 -0.26 0.02 -1.64 -0.36 0.00 0.00 175.35 173.32 3ggv s MET 46 N -2.92 3.56 0.00 4.03 -1.94 -1.26 -0.49 119.30 120.30 3ggv s MET 46 Ca -0.02 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.56 3ggv s MET 46 Cb 0.00 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 3ggv s MET 46 CO -0.06 0.42 0.03 0.96 -0.01 0.00 0.00 175.02 176.36 3ggv s ILE 47 N -0.07 4.35 0.00 2.53 -4.36 -0.93 -4.96 121.20 117.75 3ggv s ILE 47 Ca 0.04 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 3ggv s ILE 47 Cb -0.13 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.62 3ggv s ILE 47 CO 0.02 0.35 0.00 0.61 0.24 0.00 0.00 174.94 176.16 3ggv n GLY 48 N 1.26 -1.14 0.00 6.27 0.00 -1.26 -3.16 105.19 107.16 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 -0.82 0.23 -0.02 0.00 -1.26 -3.54 105.19 99.78 3ggv n GLY 49 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 1.30 -0.89 -0.61 6.09 -2.03 -3.30 117.51 118.07 3ggv h ILE 50 Ca 0.00 -1.71 -0.51 0.00 -1.37 0.00 0.00 64.86 61.27 3ggv h ILE 50 Cb 0.00 1.64 -0.28 0.00 0.47 0.00 0.00 36.82 38.65 3ggv h ILE 50 CO 0.00 0.55 0.55 0.61 -3.07 0.00 0.00 178.15 176.78 3ggv n GLY 51 N 0.24 4.97 5.60 8.18 0.00 -1.26 -5.03 105.19 117.88 3ggv n GLY 51 Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3ggv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 52 N -1.08 -1.88 3.98 -0.02 0.00 -1.24 -5.03 105.19 99.93 3ggv n GLY 52 Ca 0.56 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 3.13 -0.02 1.61 0.40 -1.23 -4.28 117.98 117.59 3ggv s PHE 53 Ca 0.00 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3ggv s PHE 53 Cb 0.00 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.47 3ggv s PHE 53 CO 0.00 -0.09 0.15 0.96 0.70 0.00 0.00 175.22 176.94 3ggv s ILE 54 N -2.25 0.05 0.10 0.64 -4.36 -1.19 -4.99 121.20 109.20 3ggv s ILE 54 Ca 0.46 -0.41 -0.31 0.00 -0.26 0.00 0.00 60.65 60.13 3ggv s ILE 54 Cb -0.10 -0.35 -0.07 0.00 1.25 0.00 0.00 42.46 43.19 3ggv s ILE 54 CO 0.32 -0.22 1.35 -0.54 0.24 0.00 0.00 174.94 176.09 3ggv s LYS 55 N -0.78 4.34 0.20 0.37 1.02 -1.26 -2.19 119.74 121.45 3ggv s LYS 55 Ca -0.09 2.00 0.02 0.00 0.02 0.00 0.00 55.97 57.92 3ggv s LYS 55 Cb -0.05 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 3ggv s LYS 55 CO 0.01 -0.40 0.03 0.14 -0.92 0.00 0.00 175.35 174.21 3ggv s VAL 56 N 1.14 0.65 -0.19 3.17 -7.23 0.36 -4.35 120.40 113.95 3ggv s VAL 56 Ca 0.63 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3ggv s VAL 56 Cb -0.35 -2.28 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 3ggv s VAL 56 CO 0.30 -0.33 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.52 3ggv s ARG 57 N -3.95 3.25 -0.36 4.82 0.52 0.18 -1.84 118.95 121.58 3ggv s ARG 57 Ca 0.28 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.64 3ggv s ARG 57 Cb 0.07 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 3ggv s ARG 57 CO 0.07 -0.12 0.32 -1.14 0.02 0.00 0.00 175.30 174.44 3ggv s GLN 58 N 1.21 3.43 -0.23 3.54 0.74 0.05 0.24 119.66 128.64 3ggv s GLN 58 Ca 0.02 -0.60 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 3ggv s GLN 58 Cb -0.14 -3.84 -0.02 0.00 1.10 0.00 0.00 33.01 30.11 3ggv s GLN 58 CO -0.04 -0.55 0.00 0.71 -0.55 0.00 0.00 175.29 174.86 3ggv s TYR 59 N 1.88 3.01 0.60 1.67 1.51 0.11 -2.22 117.35 123.92 3ggv s TYR 59 Ca 0.09 -0.68 -0.02 0.00 -1.01 0.00 0.00 57.07 55.45 3ggv s TYR 59 Cb -0.17 -2.15 0.04 0.00 -0.11 0.00 0.00 41.96 39.57 3ggv s TYR 59 CO 0.11 -0.43 0.86 -0.51 -1.11 0.00 0.00 175.55 174.47 3ggv s ASP 60 N 1.46 5.15 -1.28 2.29 1.01 -1.26 0.21 116.67 124.25 3ggv s ASP 60 Ca 0.05 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.50 3ggv s ASP 60 Cb -0.15 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 42.77 3ggv s ASP 60 CO 0.00 -1.28 0.84 0.00 0.21 0.00 0.00 175.17 174.94 3ggv n GLN 61 N -2.54 -5.67 -3.70 8.23 1.13 -1.25 -4.88 117.38 108.70 3ggv n GLN 61 Ca 0.08 0.71 -0.38 0.00 -1.94 0.00 0.00 57.00 55.46 3ggv n GLN 61 Cb 0.60 -5.47 -0.12 0.00 0.11 0.00 0.00 30.24 25.36 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 -3.53 4.23 -0.74 5.09 -1.09 -1.09 -4.84 121.20 119.23 3ggv s ILE 62 Ca 0.04 -0.68 -0.26 0.00 -2.23 0.00 0.00 60.65 57.52 3ggv s ILE 62 Cb -0.02 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.62 3ggv s ILE 62 CO 0.78 0.00 1.78 -0.22 -1.23 0.00 0.00 174.94 176.05 3ggv s LEU 63 N 1.53 3.25 -0.14 2.97 2.96 -1.26 -1.96 118.68 126.03 3ggv s LEU 63 Ca 0.03 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3ggv s LEU 63 Cb -0.18 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3ggv s LEU 63 CO 0.04 -2.35 0.06 -0.63 -1.32 0.00 0.00 176.35 172.15 3ggv s ILE 64 N 8.63 4.77 -0.26 6.68 1.01 -0.03 -4.57 121.20 137.42 3ggv s ILE 64 Ca 0.62 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 3ggv s ILE 64 Cb -0.09 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3ggv s ILE 64 CO 0.11 0.53 0.06 -0.70 0.00 0.00 0.00 174.94 174.95 3ggv s GLU 65 N -0.23 3.49 -0.38 2.79 2.12 -0.71 -1.42 118.70 124.36 3ggv s GLU 65 Ca 0.08 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.75 3ggv s GLU 65 Cb -0.12 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.02 3ggv s GLU 65 CO 0.01 -0.26 0.17 0.42 -0.54 0.00 0.00 175.26 175.07 3ggv s ILE 66 N 1.58 3.89 -1.46 -3.70 1.01 0.11 -0.83 121.20 121.80 3ggv s ILE 66 Ca 0.05 -1.33 -0.10 0.00 0.00 0.00 0.00 60.65 59.28 3ggv s ILE 66 Cb -0.16 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.04 3ggv s ILE 66 CO 0.03 -0.36 0.88 0.00 0.00 0.00 0.00 174.94 175.49 3ggv n GLY 68 N -1.67 2.27 3.75 0.00 0.00 -1.26 -5.08 105.19 103.20 3ggv n GLY 68 Ca -0.01 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 2.30 0.49 1.61 3.76 -0.88 -5.00 115.29 117.58 3ggv s HIS 69 Ca 0.00 1.50 0.02 0.00 -0.15 0.00 0.00 55.06 56.42 3ggv s HIS 69 Cb 0.00 -3.57 0.01 0.00 1.11 0.00 0.00 32.58 30.14 3ggv s HIS 69 CO 0.00 -2.46 0.71 0.15 -0.85 0.00 0.00 174.74 172.29 3ggv s LYS 70 N -3.30 2.80 -0.19 1.40 1.02 -1.26 0.05 119.74 120.25 3ggv s LYS 70 Ca 0.78 -0.70 -0.34 0.00 0.02 0.00 0.00 55.97 55.74 3ggv s LYS 70 Cb -0.33 -2.55 0.14 0.00 -0.52 0.00 0.00 37.83 34.57 3ggv s LYS 70 CO 0.36 -0.47 1.20 0.00 -0.92 0.00 0.00 175.35 175.52 3ggv s ALA 71 N -2.62 -2.06 0.02 5.17 0.00 -0.51 -4.67 121.76 117.09 3ggv s ALA 71 Ca 0.53 1.62 0.04 0.00 0.00 0.00 0.00 51.96 54.15 3ggv s ALA 71 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3ggv s ALA 71 CO 0.37 -0.53 -0.13 0.42 0.00 0.00 0.00 175.76 175.89 3ggv s ILE 72 N -2.16 1.03 -4.90 0.00 1.01 -1.26 -0.85 121.20 114.06 3ggv s ILE 72 Ca 0.08 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3ggv s ILE 72 Cb -0.01 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.55 3ggv s ILE 72 CO -0.05 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3ggv n GLY 73 N 2.21 -2.41 3.66 6.18 0.00 -0.83 -4.89 105.19 109.11 3ggv n GLY 73 Ca -0.17 -1.29 -0.48 0.00 0.00 0.00 0.00 46.02 44.08 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 2.27 0.13 -4.50 2.61 -1.04 -1.26 -2.67 114.28 109.83 3ggv n THR 74 Ca 0.00 -0.02 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 3ggv n THR 74 Cb 0.00 -1.46 -0.16 0.00 -1.82 0.00 0.00 70.33 66.89 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 1.60 1.00 -0.20 12.58 1.01 0.13 -4.55 120.40 131.98 3ggv s VAL 75 Ca 0.84 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3ggv s VAL 75 Cb -0.75 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3ggv s VAL 75 CO 0.44 0.32 0.03 -0.76 0.00 0.00 0.00 175.10 175.13 3ggv s LEU 76 N 0.62 3.48 -0.15 3.92 1.43 -0.10 0.07 118.68 127.95 3ggv s LEU 76 Ca -0.12 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ggv s LEU 76 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3ggv s LEU 76 CO 0.03 0.09 -0.11 -0.69 0.23 0.00 0.00 176.35 175.90 3ggv s VAL 77 N 0.87 3.17 0.06 -1.59 1.01 0.14 0.74 120.40 124.80 3ggv s VAL 77 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3ggv s VAL 77 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3ggv s VAL 77 CO 0.02 0.50 0.25 0.61 0.00 0.00 0.00 175.10 176.49 3ggv n GLY 78 N 3.81 1.24 2.52 4.51 0.00 -0.74 0.50 105.19 117.03 3ggv n GLY 78 Ca -0.18 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.18 3.26 -3.77 1.61 -0.04 -1.26 -2.05 135.00 132.56 3ggv n PRO 79 Ca -0.01 -2.39 -0.31 0.00 -0.04 0.00 0.00 63.50 60.75 3ggv n PRO 79 Cb 0.15 -3.04 -0.04 0.00 -0.04 0.00 0.00 33.50 30.53 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 2.71 5.26 0.31 0.52 -1.32 -1.26 -5.02 115.64 116.83 3ggv s THR 80 Ca 0.58 -0.14 -0.01 0.00 -1.21 0.00 0.00 61.69 60.92 3ggv s THR 80 Cb 0.16 -3.63 0.27 0.00 -1.51 0.00 0.00 72.50 67.79 3ggv s THR 80 CO -0.07 0.07 1.96 -0.65 -2.21 0.00 0.00 174.62 173.72 3ggv h PRO 81 N 2.91 1.03 -4.49 7.08 0.11 -1.98 -3.45 132.00 133.20 3ggv h PRO 81 Ca -0.46 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.39 3ggv h PRO 81 Cb 1.16 -0.23 -0.15 0.00 0.11 0.00 0.00 31.00 31.89 3ggv h PRO 81 CO 0.74 0.68 -0.64 0.14 -0.21 0.00 0.00 178.00 178.71 3ggv s VAL 82 N -5.89 0.13 0.28 3.15 -7.23 -1.26 -5.09 120.40 104.49 3ggv s VAL 82 Ca -0.11 -1.93 -0.23 0.00 -1.81 0.00 0.00 61.98 57.89 3ggv s VAL 82 Cb 0.18 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.90 3ggv s VAL 82 CO 0.79 -0.38 0.86 0.20 -0.31 0.00 0.00 175.10 176.25 3ggv s ASN 83 N -3.08 7.22 -0.08 4.85 0.01 -1.26 -4.56 114.94 118.04 3ggv s ASN 83 Ca 0.27 1.67 0.02 0.00 -0.71 0.00 0.00 52.86 54.10 3ggv s ASN 83 Cb 0.07 -2.51 0.02 0.00 0.41 0.00 0.00 41.25 39.23 3ggv s ASN 83 CO 0.04 -0.03 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.85 3ggv s ILE 84 N -1.59 1.14 -0.44 0.60 1.01 -0.54 -0.57 121.20 120.81 3ggv s ILE 84 Ca 0.47 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.53 3ggv s ILE 84 Cb -0.18 -1.07 0.05 0.00 0.01 0.00 0.00 42.46 41.28 3ggv s ILE 84 CO 0.22 0.37 0.35 -0.63 0.00 0.00 0.00 174.94 175.25 3ggv s ILE 85 N 0.94 5.18 0.79 2.92 -1.09 -0.06 -2.11 121.20 127.78 3ggv s ILE 85 Ca -0.09 -0.93 -0.09 0.00 -2.23 0.00 0.00 60.65 57.31 3ggv s ILE 85 Cb -0.15 -4.01 0.11 0.00 -1.58 0.00 0.00 42.46 36.83 3ggv s ILE 85 CO 0.00 -0.47 1.11 -0.83 -1.23 0.00 0.00 174.94 173.53 3ggv s GLY 86 N 2.22 1.72 0.64 6.18 0.00 -1.19 -1.78 107.32 115.11 3ggv s GLY 86 Ca 0.04 -1.11 0.39 0.00 0.00 0.00 0.00 44.72 44.03 3ggv s GLY 86 CO 0.08 -0.57 2.30 3.21 0.00 0.00 0.00 173.10 178.12 3ggv h ARG 87 N -0.92 0.00 0.00 2.90 3.08 -0.91 -0.89 114.38 117.65 3ggv h ARG 87 Ca -0.43 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 3ggv h ARG 87 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 3ggv h ARG 87 CO 0.51 0.00 -0.09 -2.95 -1.07 0.00 0.00 179.97 176.37 3ggv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.29 115.58 117.47 3ggv h ASN 88 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3ggv h ASN 88 Cb 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 3ggv h ASN 88 CO -0.00 0.09 -1.30 0.18 0.07 0.00 0.00 177.43 176.48 3ggv n LEU 89 N -3.72 0.10 -0.04 6.14 4.77 -0.44 -4.46 117.00 119.36 3ggv n LEU 89 Ca -0.02 -0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.69 3ggv n LEU 89 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3ggv n LEU 89 CO 0.30 0.03 0.30 -0.07 -1.33 0.00 0.00 177.39 176.62 3ggv h LEU 90 N 0.00 0.95 -0.41 2.23 3.38 -0.75 -2.87 115.31 117.84 3ggv h LEU 90 Ca 0.00 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.44 3ggv h LEU 90 Cb 0.45 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3ggv h LEU 90 CO 0.00 1.40 -0.02 0.71 0.09 0.00 0.00 178.44 180.62 3ggv h THR 91 N 0.56 0.67 -0.89 0.22 1.35 -1.68 -1.81 112.91 111.33 3ggv h THR 91 Ca -0.04 -0.03 0.19 0.00 -0.55 0.00 0.00 66.41 65.98 3ggv h THR 91 Cb 1.35 0.58 -0.11 0.00 -1.73 0.00 0.00 68.15 68.24 3ggv h THR 91 CO 0.15 0.02 0.44 1.56 -0.25 0.00 0.00 175.52 177.44 3ggv h GLN 92 N 0.09 0.52 -0.04 4.72 1.08 -1.73 0.29 115.11 120.04 3ggv h GLN 92 Ca 0.20 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3ggv h GLN 92 Cb 0.29 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3ggv h GLN 92 CO -0.35 0.35 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 3ggv n ILE 93 N -4.93 0.05 -1.70 2.54 -5.35 -1.15 -4.88 119.36 103.93 3ggv n ILE 93 Ca 0.20 -0.11 -0.08 0.00 -0.27 0.00 0.00 62.75 62.49 3ggv n ILE 93 Cb 0.55 -0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.36 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 0.52 3.76 3.28 0.00 0.10 -4.99 105.19 108.82 3ggv n GLY 94 Ca 0.17 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.73 0.10 -0.12 0.00 -1.32 -1.26 -4.56 115.64 107.75 3ggv s THR 96 Ca 0.50 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 60.06 3ggv s THR 96 Cb -0.36 -0.81 -0.05 0.00 -1.51 0.00 0.00 72.50 69.77 3ggv s THR 96 CO 0.45 -0.44 0.31 -0.22 -2.21 0.00 0.00 174.62 172.51 3ggv s LEU 97 N -1.89 4.32 -0.10 9.08 2.96 -1.26 -5.08 118.68 126.71 3ggv s LEU 97 Ca -0.08 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 54.41 3ggv s LEU 97 Cb -0.03 -2.40 0.05 0.00 0.50 0.00 0.00 46.19 44.31 3ggv s LEU 97 CO -0.02 0.18 0.23 0.20 -1.32 0.00 0.00 176.35 175.62 3ggv s ASN 98 N -0.06 0.04 0.00 3.68 -0.87 -1.26 -5.31 114.94 111.16 3ggv s ASN 98 Ca 0.18 0.49 0.00 0.00 -1.57 0.00 0.00 52.86 51.96 3ggv s ASN 98 Cb -0.14 0.44 0.00 0.00 -0.02 0.00 0.00 41.25 41.53 3ggv s ASN 98 CO 0.06 -0.19 0.00 2.22 -2.57 0.00 0.00 177.10 176.62