#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi6 s GLN 2 N 0.00 4.11 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.52 3gi6 s GLN 2 Ca 0.00 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.18 3gi6 s GLN 2 Cb 0.00 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.77 3gi6 s GLN 2 CO 0.00 0.32 -0.18 0.42 -0.55 0.00 0.00 175.29 175.29 3gi6 s ILE 3 N 0.30 1.99 0.75 -2.34 1.01 -1.26 -5.12 121.20 116.53 3gi6 s ILE 3 Ca 0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3gi6 s ILE 3 Cb -0.11 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.59 3gi6 s ILE 3 CO -0.01 0.48 1.08 0.42 0.00 0.00 0.00 174.94 176.90 3gi6 s THR 4 N 1.30 2.17 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.37 3gi6 s THR 4 Ca 0.04 -0.18 0.16 0.00 -1.18 0.00 0.00 61.69 60.53 3gi6 s THR 4 Cb -0.14 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.01 3gi6 s THR 4 CO -0.12 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.30 3gi6 n LEU 5 N -3.08 2.23 0.23 4.79 4.77 -1.26 -4.51 117.00 120.19 3gi6 n LEU 5 Ca 0.08 -3.11 0.12 0.00 -0.03 0.00 0.00 56.01 53.07 3gi6 n LEU 5 Cb 0.61 -0.41 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 3gi6 n LEU 5 CO 0.53 0.84 0.84 -0.50 -1.33 0.00 0.00 177.39 177.78 3gi6 h TRP 6 N 0.27 0.00 -2.32 -1.77 6.55 -2.07 -3.44 115.95 113.18 3gi6 h TRP 6 Ca -0.01 0.00 -0.58 0.00 0.95 0.00 0.00 58.89 59.26 3gi6 h TRP 6 Cb 1.05 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.21 3gi6 h TRP 6 CO 0.20 0.15 -0.74 0.15 -1.05 0.00 0.00 178.44 177.14 3gi6 s LYS 7 N -3.56 1.63 0.24 0.49 -0.14 -1.26 -5.11 119.74 112.03 3gi6 s LYS 7 Ca 0.02 -1.76 -0.31 0.00 -1.36 0.00 0.00 55.97 52.56 3gi6 s LYS 7 Cb 0.09 -1.62 -0.12 0.00 -1.68 0.00 0.00 37.83 34.49 3gi6 s LYS 7 CO 0.62 0.27 1.60 0.54 -0.76 0.00 0.00 175.35 177.62 3gi6 n ARG 8 N -0.59 2.53 -1.39 1.68 1.74 -1.26 -4.86 116.66 114.50 3gi6 n ARG 8 Ca -0.06 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 3gi6 n ARG 8 Cb 0.61 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 3gi6 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3gi6 n PRO 9 N 2.87 2.28 -3.20 5.56 -0.04 -1.26 -4.93 135.00 136.28 3gi6 n PRO 9 Ca 0.13 -2.18 -0.39 0.00 -0.04 0.00 0.00 63.50 61.02 3gi6 n PRO 9 Cb 0.34 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.70 3gi6 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gi6 s LEU 10 N 1.50 4.48 0.08 1.53 1.43 -1.26 -1.43 118.68 125.01 3gi6 s LEU 10 Ca 0.52 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3gi6 s LEU 10 Cb 0.14 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 3gi6 s LEU 10 CO 0.00 0.18 -0.05 0.68 0.23 0.00 0.00 176.35 177.39 3gi6 s VAL 11 N -0.63 0.52 0.04 -1.59 -7.23 -0.02 -4.94 120.40 106.55 3gi6 s VAL 11 Ca 0.31 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.33 3gi6 s VAL 11 Cb -0.19 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 3gi6 s VAL 11 CO 0.19 -0.92 0.83 -0.89 -0.31 0.00 0.00 175.10 174.01 3gi6 s THR 12 N -3.72 4.73 0.13 5.32 2.01 -1.26 -0.67 115.64 122.19 3gi6 s THR 12 Ca 0.10 1.77 0.10 0.00 0.31 0.00 0.00 61.69 63.97 3gi6 s THR 12 Cb 0.06 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3gi6 s THR 12 CO -0.07 0.31 -0.20 0.27 -0.69 0.00 0.00 174.62 174.24 3gi6 s ILE 13 N 0.20 2.67 -0.17 1.82 -4.36 0.56 -1.81 121.20 120.10 3gi6 s ILE 13 Ca 0.42 -1.64 -0.03 0.00 -0.26 0.00 0.00 60.65 59.14 3gi6 s ILE 13 Cb -0.21 -2.23 -0.01 0.00 1.25 0.00 0.00 42.46 41.26 3gi6 s ILE 13 CO 0.25 0.05 -0.07 -0.60 0.24 0.00 0.00 174.94 174.81 3gi6 s ARG 14 N -2.25 3.45 -0.08 0.37 3.52 0.15 -1.81 118.95 122.29 3gi6 s ARG 14 Ca 0.18 -0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 55.13 3gi6 s ARG 14 Cb -0.10 -2.86 0.05 0.00 -1.56 0.00 0.00 34.95 30.48 3gi6 s ARG 14 CO 0.09 0.04 0.16 -1.50 -0.81 0.00 0.00 175.30 173.29 3gi6 s ILE 15 N 0.84 -0.23 -1.56 4.11 2.07 -0.35 -1.40 121.20 124.68 3gi6 s ILE 15 Ca -0.02 0.33 -0.04 0.00 -1.41 0.00 0.00 60.65 59.51 3gi6 s ILE 15 Cb -0.15 -0.29 0.01 0.00 0.13 0.00 0.00 42.46 42.16 3gi6 s ILE 15 CO 0.01 0.14 0.47 0.61 -1.91 0.00 0.00 174.94 174.25 3gi6 n GLY 16 N 5.15 -0.52 2.57 1.50 0.00 -1.26 -1.41 105.19 111.23 3gi6 n GLY 16 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gi6 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi6 n GLY 17 N -1.38 0.42 3.73 -0.02 0.00 -1.26 -5.01 105.19 101.67 3gi6 n GLY 17 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3gi6 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gi6 s GLN 18 N -0.56 2.95 -0.19 1.61 -1.52 -0.50 -5.10 119.66 116.34 3gi6 s GLN 18 Ca 0.00 -0.51 -0.08 0.00 -1.95 0.00 0.00 55.36 52.82 3gi6 s GLN 18 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.96 3gi6 s GLN 18 CO 0.00 0.65 0.09 -0.51 -0.25 0.00 0.00 175.29 175.27 3gi6 s LEU 19 N -1.47 3.95 0.12 2.90 1.43 -1.26 -1.21 118.68 123.14 3gi6 s LEU 19 Ca 0.19 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 3gi6 s LEU 19 Cb -0.12 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3gi6 s LEU 19 CO 0.10 0.17 -0.06 -0.54 0.23 0.00 0.00 176.35 176.24 3gi6 s LYS 20 N 0.40 0.93 -0.10 1.70 1.02 -0.75 -4.98 119.74 117.95 3gi6 s LYS 20 Ca 0.05 -1.39 -0.10 0.00 0.02 0.00 0.00 55.97 54.55 3gi6 s LYS 20 Cb -0.12 -0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 3gi6 s LYS 20 CO -0.00 -0.01 0.22 -1.21 -0.92 0.00 0.00 175.35 173.42 3gi6 s GLU 21 N -3.83 3.68 0.03 1.68 0.41 -1.26 -0.33 118.70 119.09 3gi6 s GLU 21 Ca 0.15 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 3gi6 s GLU 21 Cb 0.05 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.14 3gi6 s GLU 21 CO -0.02 0.68 -0.04 0.00 -0.49 0.00 0.00 175.26 175.39 3gi6 s ALA 22 N -0.83 0.31 -0.21 5.21 0.00 0.16 -4.59 121.76 121.80 3gi6 s ALA 22 Ca 0.17 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 3gi6 s ALA 22 Cb -0.13 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3gi6 s ALA 22 CO 0.06 -0.16 0.45 -1.17 0.00 0.00 0.00 175.76 174.94 3gi6 s LEU 23 N -1.73 4.13 -0.29 0.00 2.96 0.24 -0.84 118.68 123.15 3gi6 s LEU 23 Ca -0.11 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 3gi6 s LEU 23 Cb -0.07 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3gi6 s LEU 23 CO -0.02 -0.14 1.42 -0.76 -1.32 0.00 0.00 176.35 175.53 3gi6 s LEU 24 N 1.60 3.84 -0.45 -0.68 1.43 -0.51 -0.36 118.68 123.55 3gi6 s LEU 24 Ca 0.20 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.61 3gi6 s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.66 3gi6 s LEU 24 CO 0.09 -1.19 0.23 -0.62 0.23 0.00 0.00 176.35 175.08 3gi6 s ASP 25 N 3.44 3.88 0.54 2.29 -1.08 -0.52 -4.79 116.67 120.42 3gi6 s ASP 25 Ca 0.62 -2.65 0.32 0.00 -0.52 0.00 0.00 52.55 50.32 3gi6 s ASP 25 Cb -0.19 -1.20 1.43 0.00 -1.46 0.00 0.00 42.92 41.51 3gi6 s ASP 25 CO 0.26 -0.27 2.02 0.71 0.52 0.00 0.00 175.17 178.41 3gi6 h THR 26 N 5.43 0.24 -0.02 1.71 1.35 -1.93 -2.01 112.91 117.68 3gi6 h THR 26 Ca -0.04 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3gi6 h THR 26 Cb 0.93 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3gi6 h THR 26 CO 0.53 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 3gi6 n GLY 27 N -0.24 -0.76 3.42 5.82 0.00 -1.26 -4.77 105.19 107.40 3gi6 n GLY 27 Ca -0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3gi6 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi6 s ALA 28 N -1.98 3.09 0.23 4.61 0.00 -0.75 -4.98 121.76 121.97 3gi6 s ALA 28 Ca 0.36 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 3gi6 s ALA 28 Cb 0.17 -1.99 0.21 0.00 0.00 0.00 0.00 23.12 21.51 3gi6 s ALA 28 CO 0.28 -0.45 1.89 -0.44 0.00 0.00 0.00 175.76 177.05 3gi6 h ASP 29 N 8.16 1.03 -4.16 0.00 3.32 -1.86 0.80 116.42 123.71 3gi6 h ASP 29 Ca -0.39 -0.04 -0.69 0.00 0.02 0.00 0.00 57.03 55.93 3gi6 h ASP 29 Cb 1.17 -0.26 -0.25 0.00 0.22 0.00 0.00 39.33 40.21 3gi6 h ASP 29 CO 0.59 0.77 -0.88 -1.81 -1.72 0.00 0.00 179.24 176.19 3gi6 s ASP 30 N -6.05 3.21 -0.09 6.45 1.01 -1.26 -2.33 116.67 117.61 3gi6 s ASP 30 Ca -0.13 -0.65 -0.30 0.00 0.71 0.00 0.00 52.55 52.19 3gi6 s ASP 30 Cb 0.16 -0.26 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 3gi6 s ASP 30 CO 0.81 0.23 1.09 -0.89 0.21 0.00 0.00 175.17 176.61 3gi6 s THR 31 N -0.90 4.56 -0.08 -1.27 2.01 -1.26 -3.77 115.64 114.93 3gi6 s THR 31 Ca 0.12 1.85 -0.00 0.00 0.31 0.00 0.00 61.69 63.98 3gi6 s THR 31 Cb -0.10 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3gi6 s THR 31 CO 0.03 -0.00 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.21 3gi6 s VAL 32 N 2.14 0.80 0.09 3.82 1.01 -0.61 -1.46 120.40 126.18 3gi6 s VAL 32 Ca 0.51 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.37 3gi6 s VAL 32 Cb -0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3gi6 s VAL 32 CO 0.19 0.32 -0.09 -0.76 0.00 0.00 0.00 175.10 174.76 3gi6 s LEU 33 N 1.49 3.08 0.99 3.92 1.43 0.10 -0.75 118.68 128.94 3gi6 s LEU 33 Ca -0.01 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3gi6 s LEU 33 Cb -0.13 -1.86 0.18 0.00 0.03 0.00 0.00 46.19 44.41 3gi6 s LEU 33 CO -0.04 0.19 1.10 -1.61 0.23 0.00 0.00 176.35 176.22 3gi6 s GLU 34 N -2.11 0.47 0.00 1.70 2.02 -1.26 -1.39 118.70 118.13 3gi6 s GLU 34 Ca 0.21 1.27 -0.39 0.00 0.02 0.00 0.00 54.97 56.09 3gi6 s GLU 34 Cb -0.11 -1.68 -0.18 0.00 0.10 0.00 0.00 34.13 32.25 3gi6 s GLU 34 CO 0.13 -2.92 1.27 -1.91 0.02 0.00 0.00 175.26 171.85 3gi6 n GLU 35 N -4.40 0.63 -3.60 1.61 4.07 -1.24 -4.57 120.64 113.13 3gi6 n GLU 35 Ca 0.09 0.23 -0.08 0.00 -0.06 0.00 0.00 57.16 57.33 3gi6 n GLU 35 Cb 0.53 -1.81 -0.02 0.00 -0.06 0.00 0.00 31.44 30.08 3gi6 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gi6 s MET 36 N 0.58 1.24 -0.11 5.31 0.23 -1.26 -5.04 119.30 120.24 3gi6 s MET 36 Ca 0.89 -0.57 -0.16 0.00 -1.03 0.00 0.00 55.69 54.82 3gi6 s MET 36 Cb -1.11 0.50 -0.05 0.00 -1.53 0.00 0.00 34.83 32.64 3gi6 s MET 36 CO 0.54 -0.56 0.39 -0.80 -2.03 0.00 0.00 175.02 172.56 3gi6 s ASN 37 N -2.75 6.60 0.06 -1.18 0.02 -1.26 -5.05 114.94 111.38 3gi6 s ASN 37 Ca 0.06 0.71 0.04 0.00 -1.02 0.00 0.00 52.86 52.66 3gi6 s ASN 37 Cb -0.02 -2.24 -0.03 0.00 0.02 0.00 0.00 41.25 38.99 3gi6 s ASN 37 CO -0.05 0.10 -0.13 -0.76 0.02 0.00 0.00 177.10 176.28 3gi6 s LEU 38 N 0.25 2.24 0.62 0.60 1.43 -1.26 -5.08 118.68 117.48 3gi6 s LEU 38 Ca 0.22 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3gi6 s LEU 38 Cb -0.14 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 3gi6 s LEU 38 CO 0.08 -0.07 0.98 -2.16 0.23 0.00 0.00 176.35 175.40 3gi6 s PRO 39 N -1.52 3.19 0.00 1.29 0.04 -1.26 -4.97 135.00 131.77 3gi6 s PRO 39 Ca -0.03 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.39 3gi6 s PRO 39 Cb -0.09 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3gi6 s PRO 39 CO 0.02 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.78 3gi6 n GLY 40 N -2.70 -0.11 3.78 0.56 0.00 -1.26 -4.96 105.19 100.49 3gi6 n GLY 40 Ca 0.05 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 3gi6 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi6 s LYS 41 N -1.03 4.19 0.17 1.61 0.00 -1.26 -5.07 119.74 118.35 3gi6 s LYS 41 Ca 0.00 1.56 0.04 0.00 0.00 0.00 0.00 55.97 57.57 3gi6 s LYS 41 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 37.83 35.18 3gi6 s LYS 41 CO 0.00 -0.13 -0.07 1.67 0.00 0.00 0.00 175.35 176.82 3gi6 s TRP 42 N -1.60 1.36 -0.07 1.78 1.48 -1.26 -4.59 118.94 116.05 3gi6 s TRP 42 Ca 0.57 -0.81 0.06 0.00 -1.06 0.00 0.00 56.10 54.85 3gi6 s TRP 42 Cb -0.24 -0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 31.34 3gi6 s TRP 42 CO 0.30 0.05 -0.24 0.15 -4.06 0.00 0.00 176.95 173.14 3gi6 s LYS 43 N -3.78 2.64 0.33 3.25 -0.14 -0.63 -4.90 119.74 116.51 3gi6 s LYS 43 Ca 0.20 -0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 53.64 3gi6 s LYS 43 Cb 0.03 -2.21 -0.11 0.00 -1.68 0.00 0.00 37.83 33.87 3gi6 s LYS 43 CO 0.03 0.36 1.49 -2.14 -0.76 0.00 0.00 175.35 174.33 3gi6 s PRO 44 N -0.11 4.16 0.06 -1.68 0.02 -1.26 -0.44 135.00 135.76 3gi6 s PRO 44 Ca -0.05 2.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.40 3gi6 s PRO 44 Cb -0.14 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 3gi6 s PRO 44 CO 0.04 -0.50 0.13 0.15 -0.33 0.00 0.00 177.00 176.49 3gi6 s LYS 45 N -1.42 0.73 -0.03 5.54 1.02 -0.35 -4.87 119.74 120.35 3gi6 s LYS 45 Ca 0.56 -0.93 0.07 0.00 0.02 0.00 0.00 55.97 55.70 3gi6 s LYS 45 Cb -0.45 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 3gi6 s LYS 45 CO 0.55 -0.20 -0.25 -1.64 -0.92 0.00 0.00 175.35 172.89 3gi6 s MET 46 N -3.45 2.12 0.09 1.68 -1.94 -1.26 -0.56 119.30 115.99 3gi6 s MET 46 Ca 0.02 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 3gi6 s MET 46 Cb 0.03 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 3gi6 s MET 46 CO -0.09 0.51 -0.11 0.96 -0.01 0.00 0.00 175.02 176.28 3gi6 s ILE 47 N -0.51 1.01 0.25 2.53 -4.36 -0.62 -4.97 121.20 114.53 3gi6 s ILE 47 Ca 0.07 -1.54 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 3gi6 s ILE 47 Cb -0.10 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.31 3gi6 s ILE 47 CO -0.00 -0.45 0.33 -0.83 0.24 0.00 0.00 174.94 174.23 3gi6 s GLY 48 N -2.23 1.28 0.00 6.27 0.00 -1.26 -0.88 107.32 110.50 3gi6 s GLY 48 Ca 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.46 3gi6 s GLY 48 CO 0.01 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.41 3gi6 n GLY 49 N -1.38 2.76 0.24 0.20 0.00 0.39 -4.96 105.19 102.44 3gi6 n GLY 49 Ca -0.08 -1.20 0.07 0.00 0.00 0.00 0.00 46.02 44.81 3gi6 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gi6 h ILE 50 N 0.90 1.03 -0.02 -0.61 2.10 -2.03 -2.97 117.51 115.91 3gi6 h ILE 50 Ca 0.00 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 65.45 3gi6 h ILE 50 Cb 0.00 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 3gi6 h ILE 50 CO 0.00 0.14 -0.19 0.61 -1.08 0.00 0.00 178.15 177.63 3gi6 n GLY 51 N -1.08 0.52 0.00 8.18 0.00 -1.26 -5.08 105.19 106.48 3gi6 n GLY 51 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3gi6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gi6 n GLY 52 N 1.32 0.83 3.59 -0.02 0.00 -1.12 -5.11 105.19 104.68 3gi6 n GLY 52 Ca 0.11 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 3gi6 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gi6 s PHE 53 N -1.97 2.78 0.15 1.61 0.40 -1.26 -0.46 117.98 119.23 3gi6 s PHE 53 Ca 0.00 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.24 3gi6 s PHE 53 Cb 0.00 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 3gi6 s PHE 53 CO 0.00 0.42 -0.07 0.96 0.70 0.00 0.00 175.22 177.22 3gi6 s ILE 54 N -1.18 1.01 -0.05 0.64 -4.36 -0.06 -4.98 121.20 112.22 3gi6 s ILE 54 Ca 0.21 -2.02 -0.14 0.00 -0.26 0.00 0.00 60.65 58.43 3gi6 s ILE 54 Cb -0.11 -1.89 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 3gi6 s ILE 54 CO 0.13 -0.70 0.37 -0.54 0.24 0.00 0.00 174.94 174.44 3gi6 s LYS 55 N -3.79 3.96 0.20 0.37 1.02 -1.26 -1.59 119.74 118.64 3gi6 s LYS 55 Ca 0.18 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.49 3gi6 s LYS 55 Cb 0.04 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 3gi6 s LYS 55 CO 0.01 0.58 0.03 0.14 -0.92 0.00 0.00 175.35 175.18 3gi6 s VAL 56 N -0.66 0.63 -0.19 3.17 -7.23 0.28 -4.43 120.40 111.96 3gi6 s VAL 56 Ca 0.22 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 3gi6 s VAL 56 Cb -0.15 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 3gi6 s VAL 56 CO 0.11 -0.34 0.02 -0.13 -0.31 0.00 0.00 175.10 174.45 3gi6 s ARG 57 N -3.95 3.75 -0.32 4.82 0.52 0.00 -1.21 118.95 122.55 3gi6 s ARG 57 Ca 0.28 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 3gi6 s ARG 57 Cb 0.07 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 3gi6 s ARG 57 CO 0.07 0.11 0.33 -1.14 0.02 0.00 0.00 175.30 174.68 3gi6 s GLN 58 N 0.78 3.68 -0.20 3.54 0.74 0.42 -0.95 119.66 127.66 3gi6 s GLN 58 Ca 0.01 -0.35 -0.05 0.00 0.05 0.00 0.00 55.36 55.02 3gi6 s GLN 58 Cb -0.14 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.18 3gi6 s GLN 58 CO 0.02 -0.43 0.01 0.71 -0.55 0.00 0.00 175.29 175.05 3gi6 s TYR 59 N 1.97 3.08 0.10 1.67 1.51 -0.18 -1.61 117.35 123.89 3gi6 s TYR 59 Ca 0.11 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3gi6 s TYR 59 Cb -0.16 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3gi6 s TYR 59 CO 0.11 -0.15 0.26 -0.51 -1.11 0.00 0.00 175.55 174.15 3gi6 s ASP 60 N 0.86 6.38 -1.21 2.29 1.01 -1.26 -0.86 116.67 123.87 3gi6 s ASP 60 Ca 0.01 0.31 -0.08 0.00 0.71 0.00 0.00 52.55 53.50 3gi6 s ASP 60 Cb -0.14 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 3gi6 s ASP 60 CO 0.02 0.12 0.75 0.00 0.21 0.00 0.00 175.17 176.26 3gi6 n GLN 61 N 0.03 -3.09 -3.70 8.23 6.02 -1.10 -4.90 117.38 118.88 3gi6 n GLN 61 Ca -0.05 0.59 -0.37 0.00 -0.01 0.00 0.00 57.00 57.16 3gi6 n GLN 61 Cb 0.52 -4.87 -0.11 0.00 1.02 0.00 0.00 30.24 26.80 3gi6 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3gi6 s ILE 62 N -3.58 5.04 0.16 5.09 -1.09 0.19 -4.70 121.20 122.31 3gi6 s ILE 62 Ca 0.24 0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.43 3gi6 s ILE 62 Cb -0.07 -3.36 -0.08 0.00 -1.58 0.00 0.00 42.46 37.36 3gi6 s ILE 62 CO 0.82 0.32 1.35 -2.84 -1.23 0.00 0.00 174.94 173.36 3gi6 s PRO 63 N 1.35 4.35 -0.03 2.79 0.02 -1.26 -1.59 135.00 140.63 3gi6 s PRO 63 Ca 0.06 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.16 3gi6 s PRO 63 Cb -0.15 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.17 3gi6 s PRO 63 CO 0.06 -0.35 -0.04 0.42 -0.33 0.00 0.00 177.00 176.77 3gi6 s ILE 64 N 0.60 0.41 -0.32 2.83 1.01 -0.13 -4.51 121.20 121.08 3gi6 s ILE 64 Ca 0.61 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 3gi6 s ILE 64 Cb -0.37 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 3gi6 s ILE 64 CO 0.34 0.17 0.23 -0.70 0.00 0.00 0.00 174.94 174.98 3gi6 s GLU 65 N 0.58 3.63 -0.36 2.79 2.12 -0.49 -0.60 118.70 126.37 3gi6 s GLU 65 Ca -0.07 -0.54 -0.06 0.00 0.36 0.00 0.00 54.97 54.66 3gi6 s GLU 65 Cb -0.10 -3.76 0.06 0.00 0.26 0.00 0.00 34.13 30.58 3gi6 s GLU 65 CO -0.00 -0.37 0.13 0.42 -0.54 0.00 0.00 175.26 174.90 3gi6 s ILE 66 N 1.74 3.67 -1.51 -3.70 1.01 0.78 -0.68 121.20 122.51 3gi6 s ILE 66 Ca 0.06 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.27 3gi6 s ILE 66 Cb -0.17 -3.17 0.07 0.00 0.01 0.00 0.00 42.46 39.20 3gi6 s ILE 66 CO 0.11 -0.30 0.75 0.00 0.00 0.00 0.00 174.94 175.50 3gi6 n GLY 68 N -1.67 1.02 3.49 0.00 0.00 -1.26 -5.00 105.19 101.77 3gi6 n GLY 68 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3gi6 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gi6 s HIS 69 N -3.47 2.98 0.04 1.61 4.02 -0.23 -5.09 115.29 115.16 3gi6 s HIS 69 Ca 0.00 -0.31 -0.28 0.00 1.02 0.00 0.00 55.06 55.49 3gi6 s HIS 69 Cb 0.00 -1.91 -0.05 0.00 -1.02 0.00 0.00 32.58 29.60 3gi6 s HIS 69 CO 0.00 -0.02 0.89 0.15 1.02 0.00 0.00 174.74 176.78 3gi6 s LYS 70 N 0.22 4.57 0.10 1.40 1.02 -1.26 -0.16 119.74 125.64 3gi6 s LYS 70 Ca -0.04 1.28 0.05 0.00 0.02 0.00 0.00 55.97 57.28 3gi6 s LYS 70 Cb -0.14 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 3gi6 s LYS 70 CO 0.03 0.13 -0.12 0.00 -0.92 0.00 0.00 175.35 174.47 3gi6 s ALA 71 N 0.40 1.26 -0.13 5.17 0.00 0.23 -4.64 121.76 124.05 3gi6 s ALA 71 Ca 0.45 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 3gi6 s ALA 71 Cb -0.21 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3gi6 s ALA 71 CO 0.26 0.05 0.08 0.42 0.00 0.00 0.00 175.76 176.57 3gi6 s ILE 72 N -2.11 -0.08 0.00 0.00 1.01 -1.26 -0.96 121.20 117.80 3gi6 s ILE 72 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3gi6 s ILE 72 Cb -0.05 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.97 3gi6 s ILE 72 CO 0.02 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.43 3gi6 n GLY 73 N 5.28 1.38 3.72 6.18 0.00 -0.62 -4.77 105.19 116.37 3gi6 n GLY 73 Ca -0.06 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3gi6 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gi6 s THR 74 N -2.33 4.66 -0.12 2.61 2.01 -1.26 -0.64 115.64 120.57 3gi6 s THR 74 Ca 0.00 2.02 0.01 0.00 0.31 0.00 0.00 61.69 64.03 3gi6 s THR 74 Cb 0.00 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.23 3gi6 s THR 74 CO 0.00 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.37 3gi6 s VAL 75 N 0.37 1.41 -0.09 3.82 1.01 -0.04 -4.56 120.40 122.33 3gi6 s VAL 75 Ca 0.48 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3gi6 s VAL 75 Cb -0.22 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3gi6 s VAL 75 CO 0.28 0.43 0.31 -0.76 0.00 0.00 0.00 175.10 175.36 3gi6 s LEU 76 N 1.22 4.37 -0.12 3.92 1.43 -0.54 -1.01 118.68 127.95 3gi6 s LEU 76 Ca -0.02 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 3gi6 s LEU 76 Cb -0.14 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3gi6 s LEU 76 CO -0.05 0.25 -0.22 -0.69 0.23 0.00 0.00 176.35 175.87 3gi6 s VAL 77 N -0.47 2.00 -1.22 -1.59 1.01 -0.13 0.03 120.40 120.03 3gi6 s VAL 77 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3gi6 s VAL 77 Cb -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3gi6 s VAL 77 CO 0.08 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.33 3gi6 n GLY 78 N 3.82 -1.30 2.21 4.51 0.00 -0.49 -0.82 105.19 113.13 3gi6 n GLY 78 Ca -0.20 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 3gi6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gi6 n PRO 79 N -0.02 2.05 -2.26 1.61 -0.04 -1.26 -3.70 135.00 131.38 3gi6 n PRO 79 Ca 0.00 -1.15 -0.38 0.00 -0.04 0.00 0.00 63.50 61.93 3gi6 n PRO 79 Cb 0.00 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 3gi6 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3gi6 s THR 80 N 1.83 3.09 0.38 0.52 -1.32 -1.26 -4.95 115.64 113.92 3gi6 s THR 80 Ca 0.55 0.92 0.30 0.00 -1.21 0.00 0.00 61.69 62.24 3gi6 s THR 80 Cb 0.22 -3.51 0.32 0.00 -1.51 0.00 0.00 72.50 68.01 3gi6 s THR 80 CO -0.02 0.09 2.07 1.55 -2.21 0.00 0.00 174.62 176.10 3gi6 h PRO 81 N 2.62 0.00 -3.11 7.08 0.13 -1.97 -3.44 132.00 133.30 3gi6 h PRO 81 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3gi6 h PRO 81 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 3gi6 h PRO 81 CO 0.62 0.10 -0.14 0.54 -0.23 0.00 0.00 178.00 178.90 3gi6 s VAL 82 N -4.08 0.06 0.10 1.56 0.11 -1.26 -5.09 120.40 111.80 3gi6 s VAL 82 Ca -0.02 -0.52 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 3gi6 s VAL 82 Cb 0.12 -0.96 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 3gi6 s VAL 82 CO 0.57 -0.29 1.74 0.20 -3.33 0.00 0.00 175.10 173.99 3gi6 s ASN 83 N -2.06 6.51 -0.04 3.54 0.01 -1.26 -4.72 114.94 116.92 3gi6 s ASN 83 Ca -0.05 2.63 0.04 0.00 -0.71 0.00 0.00 52.86 54.78 3gi6 s ASN 83 Cb -0.01 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 3gi6 s ASN 83 CO -0.03 -0.95 -0.18 0.27 -1.51 0.00 0.00 177.10 174.71 3gi6 s ILE 84 N 2.67 1.47 -0.38 0.60 -4.36 0.07 -0.59 121.20 120.68 3gi6 s ILE 84 Ca 0.77 -0.74 -0.15 0.00 -0.26 0.00 0.00 60.65 60.27 3gi6 s ILE 84 Cb -0.43 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.02 3gi6 s ILE 84 CO 0.34 0.42 0.31 -0.63 0.24 0.00 0.00 174.94 175.63 3gi6 s ILE 85 N -0.00 5.22 0.51 8.37 -1.09 0.51 -1.57 121.20 133.15 3gi6 s ILE 85 Ca -0.03 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.09 3gi6 s ILE 85 Cb -0.11 -3.86 0.10 0.00 -1.58 0.00 0.00 42.46 37.01 3gi6 s ILE 85 CO 0.02 -0.19 0.70 0.61 -1.23 0.00 0.00 174.94 174.86 3gi6 n GLY 86 N 5.09 1.12 0.27 6.18 0.00 -1.25 -1.44 105.19 115.16 3gi6 n GLY 86 Ca -0.11 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 43.94 3gi6 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gi6 h ARG 87 N 0.00 0.00 -0.55 1.61 3.08 -0.67 -1.29 114.38 116.56 3gi6 h ARG 87 Ca -0.23 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.87 3gi6 h ARG 87 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3gi6 h ARG 87 CO 0.28 0.06 0.36 -2.95 -1.07 0.00 0.00 179.97 176.65 3gi6 h ASN 88 N 0.00 0.48 0.00 7.04 -1.07 -1.73 -1.90 115.58 118.40 3gi6 h ASN 88 Ca -0.00 -0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 3gi6 h ASN 88 Cb 0.13 -0.11 -0.06 0.00 -2.07 0.00 0.00 38.32 36.22 3gi6 h ASN 88 CO 0.01 0.32 -2.25 0.18 0.07 0.00 0.00 177.43 175.76 3gi6 n LEU 89 N -4.47 0.00 -0.34 6.14 4.77 -0.82 -4.16 117.00 118.11 3gi6 n LEU 89 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 3gi6 n LEU 89 Cb 0.20 0.40 0.15 0.00 -2.33 0.00 0.00 43.42 41.85 3gi6 n LEU 89 CO 0.34 0.40 1.24 -0.07 -1.33 0.00 0.00 177.39 177.97 3gi6 h LEU 90 N 0.00 0.96 -0.87 2.23 3.38 -1.10 -1.49 115.31 118.43 3gi6 h LEU 90 Ca -0.44 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3gi6 h LEU 90 Cb 2.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 3gi6 h LEU 90 CO 0.02 0.62 0.30 0.71 0.09 0.00 0.00 178.44 180.19 3gi6 h THR 91 N 1.11 1.25 -0.77 0.22 1.35 -1.55 -1.44 112.91 113.08 3gi6 h THR 91 Ca 0.40 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 3gi6 h THR 91 Cb 0.14 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 3gi6 h THR 91 CO -0.16 0.33 0.41 1.56 -0.25 0.00 0.00 175.52 177.40 3gi6 h GLN 92 N 1.10 1.08 -0.14 4.72 4.20 -1.45 -2.22 115.11 122.39 3gi6 h GLN 92 Ca 0.25 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3gi6 h GLN 92 Cb 0.21 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gi6 h GLN 92 CO -0.02 0.80 0.00 0.44 -0.67 0.00 0.00 178.83 179.38 3gi6 n ILE 93 N -4.35 0.19 -1.86 2.54 -5.35 -0.86 -4.92 119.36 104.75 3gi6 n ILE 93 Ca 0.08 -0.26 -0.04 0.00 -0.27 0.00 0.00 62.75 62.26 3gi6 n ILE 93 Cb 0.11 0.16 -0.01 0.00 -1.74 0.00 0.00 39.64 38.16 3gi6 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gi6 n GLY 94 N 0.99 0.32 3.72 3.28 0.00 -0.83 -5.01 105.19 107.66 3gi6 n GLY 94 Ca 0.14 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3gi6 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi6 s THR 96 N 0.56 1.23 -0.10 0.00 -4.23 -1.26 -4.66 115.64 107.19 3gi6 s THR 96 Ca 0.48 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.80 3gi6 s THR 96 Cb -0.22 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.54 3gi6 s THR 96 CO 0.28 -0.59 0.26 -0.76 -0.54 0.00 0.00 174.62 173.27 3gi6 s LEU 97 N -3.24 4.37 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.66 3gi6 s LEU 97 Ca 0.21 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 3gi6 s LEU 97 Cb 0.03 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3gi6 s LEU 97 CO 0.04 0.30 -0.03 0.20 0.23 0.00 0.00 176.35 177.09 3gi6 s ASN 98 N -0.63 0.54 0.00 2.29 0.01 -1.26 -5.29 114.94 110.60 3gi6 s ASN 98 Ca 0.18 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 3gi6 s ASN 98 Cb -0.14 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.35 3gi6 s ASN 98 CO 0.07 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.87