#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 3.21 -0.25 0.54 0.74 -1.26 -5.11 119.66 117.53 3gi6 s GLN 2 Ca 0.00 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.59 3gi6 s GLN 2 Cb 0.00 -2.46 0.02 0.00 1.10 0.00 0.00 33.01 31.66 3gi6 s GLN 2 CO 0.00 0.18 -0.03 0.42 -0.55 0.00 0.00 175.29 175.32 3gi6 s ILE 3 N 0.37 3.19 0.77 -2.34 1.01 -1.26 -5.11 121.20 117.83 3gi6 s ILE 3 Ca -0.15 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 3gi6 s ILE 3 Cb -0.17 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.77 3gi6 s ILE 3 CO 0.07 0.22 1.14 0.42 0.00 0.00 0.00 174.94 176.79 3gi6 s THR 4 N 1.39 2.50 -0.19 2.92 -4.23 -1.26 -5.00 115.64 111.77 3gi6 s THR 4 Ca 0.02 0.14 0.16 0.00 -1.18 0.00 0.00 61.69 60.82 3gi6 s THR 4 Cb -0.16 -3.15 0.45 0.00 1.34 0.00 0.00 72.50 70.97 3gi6 s THR 4 CO -0.03 -0.20 1.33 0.18 -0.54 0.00 0.00 174.62 175.36 3gi6 n LEU 5 N -3.19 3.38 0.06 4.79 4.77 -1.26 -4.51 117.00 121.03 3gi6 n LEU 5 Ca 0.08 -3.23 0.04 0.00 -0.03 0.00 0.00 56.01 52.87 3gi6 n LEU 5 Cb 0.60 -0.52 0.46 0.00 -2.33 0.00 0.00 43.42 41.62 3gi6 n LEU 5 CO 0.57 0.83 1.12 -0.50 -1.33 0.00 0.00 177.39 178.08 3gi6 h TRP 6 N 1.05 0.40 -2.61 -1.77 4.06 -2.06 -3.43 115.95 111.60 3gi6 h TRP 6 Ca 0.04 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.49 3gi6 h TRP 6 Cb 1.32 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 29.21 3gi6 h TRP 6 CO 0.45 0.27 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.41 3gi6 s LYS 7 N -5.35 1.72 0.29 0.49 -2.85 -1.26 -5.11 119.74 107.67 3gi6 s LYS 7 Ca -0.07 -1.96 -0.30 0.00 -1.00 0.00 0.00 55.97 52.63 3gi6 s LYS 7 Cb 0.17 -0.99 -0.12 0.00 -2.06 0.00 0.00 37.83 34.83 3gi6 s LYS 7 CO 0.72 -0.18 1.60 0.54 0.10 0.00 0.00 175.35 178.14 3gi6 n ARG 8 N -0.75 2.72 -1.40 1.78 1.74 -1.26 -4.85 116.66 114.63 3gi6 n ARG 8 Ca -0.03 0.97 -0.40 0.00 -0.77 0.00 0.00 57.85 57.62 3gi6 n ARG 8 Cb 0.67 -2.76 -0.02 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 2.18 2.45 -3.09 5.56 -0.04 -1.26 -4.93 135.00 135.86 3gi6 n PRO 9 Ca 0.09 -2.21 -0.39 0.00 -0.04 0.00 0.00 63.50 60.95 3gi6 n PRO 9 Cb 0.37 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.74 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 1.44 4.49 0.08 1.53 1.43 -1.26 -1.25 118.68 125.14 3gi6 s LEU 10 Ca 0.52 1.38 -0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3gi6 s LEU 10 Cb 0.14 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3gi6 s LEU 10 CO -0.01 0.13 -0.02 0.68 0.23 0.00 0.00 176.35 177.36 3gi6 s VAL 11 N -0.53 0.32 -0.03 -1.59 -7.23 -0.35 -4.93 120.40 106.06 3gi6 s VAL 11 Ca 0.34 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 3gi6 s VAL 11 Cb -0.20 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 3gi6 s VAL 11 CO 0.21 -0.85 0.93 -0.89 -0.31 0.00 0.00 175.10 174.20 3gi6 s THR 12 N -3.87 4.89 0.25 5.32 2.01 -1.26 -0.85 115.64 122.12 3gi6 s THR 12 Ca 0.12 1.94 0.11 0.00 0.31 0.00 0.00 61.69 64.17 3gi6 s THR 12 Cb 0.07 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 3gi6 s THR 12 CO -0.06 0.15 -0.16 0.27 -0.69 0.00 0.00 174.62 174.12 3gi6 s ILE 13 N 1.17 2.70 -0.08 1.82 -4.36 0.90 -2.03 121.20 121.32 3gi6 s ILE 13 Ca 0.49 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 3gi6 s ILE 13 Cb -0.20 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.14 3gi6 s ILE 13 CO 0.24 -0.29 -0.09 -0.60 0.24 0.00 0.00 174.94 174.44 3gi6 s ARG 14 N -3.26 1.46 -0.26 0.37 3.52 0.40 -1.48 118.95 119.69 3gi6 s ARG 14 Ca 0.27 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.58 3gi6 s ARG 14 Cb -0.06 -1.37 0.08 0.00 -1.56 0.00 0.00 34.95 32.03 3gi6 s ARG 14 CO 0.15 -0.12 0.06 -1.50 -0.81 0.00 0.00 175.30 173.08 3gi6 s ILE 15 N 1.16 0.87 0.00 4.11 2.07 -0.75 -1.07 121.20 127.59 3gi6 s ILE 15 Ca -0.06 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.07 3gi6 s ILE 15 Cb -0.14 -1.49 0.00 0.00 0.13 0.00 0.00 42.46 40.95 3gi6 s ILE 15 CO -0.02 -0.44 0.00 0.61 -1.91 0.00 0.00 174.94 173.18 3gi6 n GLY 16 N 4.88 3.04 1.32 1.50 0.00 -1.26 -2.29 105.19 112.38 3gi6 n GLY 16 Ca -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.61 3.09 -0.02 0.00 -1.26 -4.81 105.19 104.80 3gi6 n GLY 17 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.59 2.71 -0.16 1.61 -1.52 -0.97 -5.10 119.66 114.63 3gi6 s GLN 18 Ca 0.24 -0.72 -0.07 0.00 -1.95 0.00 0.00 55.36 52.85 3gi6 s GLN 18 Cb 0.19 -2.35 -0.04 0.00 -0.22 0.00 0.00 33.01 30.60 3gi6 s GLN 18 CO 0.06 -0.18 0.10 -0.51 -0.25 0.00 0.00 175.29 174.51 3gi6 s LEU 19 N 1.26 4.10 0.08 2.90 2.01 -1.26 -1.81 118.68 125.97 3gi6 s LEU 19 Ca 0.02 0.26 -0.07 0.00 0.01 0.00 0.00 54.13 54.36 3gi6 s LEU 19 Cb -0.13 -2.02 -0.01 0.00 0.01 0.00 0.00 46.19 44.03 3gi6 s LEU 19 CO -0.10 0.28 0.14 -0.54 1.01 0.00 0.00 176.35 177.14 3gi6 s LYS 20 N -0.23 0.80 -0.11 1.70 3.01 -0.55 -5.00 119.74 119.36 3gi6 s LYS 20 Ca 0.10 -1.02 -0.09 0.00 -1.01 0.00 0.00 55.97 53.94 3gi6 s LYS 20 Cb -0.12 0.31 -0.04 0.00 -1.01 0.00 0.00 37.83 36.97 3gi6 s LYS 20 CO 0.01 -0.23 0.20 -1.21 0.51 0.00 0.00 175.35 174.62 3gi6 s GLU 21 N -3.88 3.65 -0.01 1.68 0.41 -1.26 -0.07 118.70 119.23 3gi6 s GLU 21 Ca 0.06 -0.02 -0.07 0.00 -0.41 0.00 0.00 54.97 54.52 3gi6 s GLU 21 Cb 0.06 -3.23 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 3gi6 s GLU 21 CO -0.11 0.68 0.15 0.00 -0.49 0.00 0.00 175.26 175.49 3gi6 s ALA 22 N -0.81 -0.36 0.01 5.21 0.00 -0.03 -4.30 121.76 121.49 3gi6 s ALA 22 Ca 0.16 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3gi6 s ALA 22 Cb -0.13 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3gi6 s ALA 22 CO 0.05 -0.18 1.03 -0.51 0.00 0.00 0.00 175.76 176.15 3gi6 s LEU 23 N -1.06 4.37 -0.56 0.00 1.43 0.18 -1.21 118.68 121.82 3gi6 s LEU 23 Ca -0.11 1.74 -0.28 0.00 -1.03 0.00 0.00 54.13 54.45 3gi6 s LEU 23 Cb -0.06 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.61 3gi6 s LEU 23 CO 0.01 -0.31 1.26 -0.76 0.23 0.00 0.00 176.35 176.78 3gi6 s LEU 24 N 1.02 3.45 -0.36 1.79 1.43 -0.38 -0.47 118.68 125.16 3gi6 s LEU 24 Ca 0.54 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 3gi6 s LEU 24 Cb -0.23 -3.17 0.10 0.00 0.03 0.00 0.00 46.19 42.92 3gi6 s LEU 24 CO 0.28 -1.53 0.08 -0.62 0.23 0.00 0.00 176.35 174.79 3gi6 s ASP 25 N 3.34 4.65 0.48 2.29 3.68 -0.35 -4.82 116.67 125.93 3gi6 s ASP 25 Ca 0.46 -2.20 0.32 0.00 2.13 0.00 0.00 52.55 53.26 3gi6 s ASP 25 Cb -0.08 -1.55 1.45 0.00 -1.45 0.00 0.00 42.92 41.28 3gi6 s ASP 25 CO 0.26 -0.37 1.96 0.71 0.13 0.00 0.00 175.17 177.86 3gi6 h THR 26 N 6.48 0.00 -0.03 1.71 1.35 -1.93 -2.59 112.91 117.89 3gi6 h THR 26 Ca -0.05 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3gi6 h THR 26 Cb 1.01 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3gi6 h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 3gi6 n GLY 27 N -0.31 -0.29 3.39 5.82 0.00 -1.26 -4.81 105.19 107.73 3gi6 n GLY 27 Ca 0.00 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.97 3.12 0.20 4.61 0.00 -0.98 -4.98 121.76 121.76 3gi6 s ALA 28 Ca 0.39 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 3gi6 s ALA 28 Cb 0.20 -2.15 0.14 0.00 0.00 0.00 0.00 23.12 21.31 3gi6 s ALA 28 CO 0.32 -0.76 1.87 -0.44 0.00 0.00 0.00 175.76 176.75 3gi6 h ASP 29 N 8.25 0.79 -2.18 0.00 3.32 -1.87 0.23 116.42 124.95 3gi6 h ASP 29 Ca -0.34 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.08 3gi6 h ASP 29 Cb 1.15 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.36 3gi6 h ASP 29 CO 0.60 0.57 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.13 3gi6 s ASP 30 N -5.82 3.64 -0.10 6.45 1.01 -1.26 -2.70 116.67 117.89 3gi6 s ASP 30 Ca -0.13 -1.03 -0.23 0.00 0.71 0.00 0.00 52.55 51.87 3gi6 s ASP 30 Cb 0.14 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 3gi6 s ASP 30 CO 0.77 0.01 0.67 -0.89 0.21 0.00 0.00 175.17 175.95 3gi6 s THR 31 N -2.51 5.05 -0.14 -1.27 2.01 -1.26 -3.69 115.64 113.81 3gi6 s THR 31 Ca 0.30 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.67 3gi6 s THR 31 Cb -0.04 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.49 3gi6 s THR 31 CO 0.15 0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.49 3gi6 s VAL 32 N 1.05 1.45 0.15 3.82 1.01 0.29 -0.57 120.40 127.59 3gi6 s VAL 32 Ca 0.35 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3gi6 s VAL 32 Cb -0.17 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3gi6 s VAL 32 CO 0.16 0.41 -0.09 -0.76 0.00 0.00 0.00 175.10 174.82 3gi6 s LEU 33 N 1.53 3.02 0.81 3.92 1.43 0.11 0.28 118.68 129.79 3gi6 s LEU 33 Ca 0.05 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 3gi6 s LEU 33 Cb -0.13 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.42 3gi6 s LEU 33 CO -0.10 0.14 1.17 -1.61 0.23 0.00 0.00 176.35 176.17 3gi6 s GLU 34 N -2.55 1.70 -0.06 1.70 2.02 -1.26 -1.82 118.70 118.43 3gi6 s GLU 34 Ca 0.23 1.60 -0.38 0.00 0.02 0.00 0.00 54.97 56.44 3gi6 s GLU 34 Cb -0.10 -1.80 -0.16 0.00 0.10 0.00 0.00 34.13 32.17 3gi6 s GLU 34 CO 0.15 -2.13 1.49 -1.91 0.02 0.00 0.00 175.26 172.87 3gi6 n GLU 35 N -3.43 1.12 -3.61 1.61 4.07 -1.10 -4.56 120.64 114.73 3gi6 n GLU 35 Ca 0.12 0.41 -0.16 0.00 -0.06 0.00 0.00 57.16 57.47 3gi6 n GLU 35 Cb 0.51 -2.06 -0.07 0.00 -0.06 0.00 0.00 31.44 29.76 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 1.66 0.88 -1.20 5.31 0.23 -1.26 -5.02 119.30 119.90 3gi6 s MET 36 Ca 0.90 0.43 -0.10 0.00 -1.03 0.00 0.00 55.69 55.88 3gi6 s MET 36 Cb -1.01 0.42 0.21 0.00 -1.53 0.00 0.00 34.83 32.92 3gi6 s MET 36 CO 0.54 -0.22 1.50 -1.71 -2.03 0.00 0.00 175.02 173.10 3gi6 n ASN 37 N 1.66 5.40 -4.78 -1.18 5.15 -1.26 -5.01 115.26 115.24 3gi6 n ASN 37 Ca -0.17 -3.08 -0.36 0.00 -0.60 0.00 0.00 54.58 50.36 3gi6 n ASN 37 Cb 0.56 -1.47 -0.04 0.00 -0.53 0.00 0.00 39.78 38.30 3gi6 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gi6 s LEU 38 N 0.04 4.12 0.72 1.20 1.43 -1.26 -5.04 118.68 119.89 3gi6 s LEU 38 Ca 0.38 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 3gi6 s LEU 38 Cb -0.00 -4.20 0.03 0.00 0.03 0.00 0.00 46.19 42.05 3gi6 s LEU 38 CO 0.00 -0.54 1.08 -2.16 0.23 0.00 0.00 176.35 174.96 3gi6 s PRO 39 N -2.54 2.64 0.00 1.29 0.04 -1.26 -4.98 135.00 130.19 3gi6 s PRO 39 Ca 0.59 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3gi6 s PRO 39 Cb -0.22 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3gi6 s PRO 39 CO 0.28 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.39 3gi6 n GLY 40 N -1.46 0.50 3.80 0.56 0.00 -1.26 -5.00 105.19 102.32 3gi6 n GLY 40 Ca 0.08 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.02 3.46 0.22 1.61 0.00 -1.26 -5.07 119.74 117.68 3gi6 s LYS 41 Ca 0.00 1.29 -0.12 0.00 0.00 0.00 0.00 55.97 57.14 3gi6 s LYS 41 Cb 0.00 -2.05 -0.00 0.00 0.00 0.00 0.00 37.83 35.78 3gi6 s LYS 41 CO 0.00 -0.71 0.44 1.67 0.00 0.00 0.00 175.35 176.75 3gi6 s TRP 42 N -2.25 0.33 0.02 1.78 1.48 -1.26 -4.51 118.94 114.53 3gi6 s TRP 42 Ca 0.66 -0.69 0.03 0.00 -1.06 0.00 0.00 56.10 55.04 3gi6 s TRP 42 Cb -0.17 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.28 3gi6 s TRP 42 CO 0.31 -0.93 -0.10 0.15 -4.06 0.00 0.00 176.95 172.32 3gi6 s LYS 43 N -4.00 0.73 0.47 3.25 -0.14 -0.62 -4.92 119.74 114.52 3gi6 s LYS 43 Ca 0.20 -0.52 -0.21 0.00 -1.36 0.00 0.00 55.97 54.09 3gi6 s LYS 43 Cb 0.00 -0.68 -0.08 0.00 -1.68 0.00 0.00 37.83 35.39 3gi6 s LYS 43 CO 0.06 0.17 1.06 -1.25 -0.76 0.00 0.00 175.35 174.63 3gi6 s PRO 44 N -0.72 3.82 0.04 -1.68 0.04 -1.26 -0.25 135.00 134.99 3gi6 s PRO 44 Ca 0.01 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 3gi6 s PRO 44 Cb -0.06 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.33 3gi6 s PRO 44 CO 0.00 -0.42 0.44 0.21 0.04 0.00 0.00 177.00 177.26 3gi6 s LYS 45 N -3.06 0.94 -0.10 4.56 2.20 -0.52 -4.88 119.74 118.88 3gi6 s LYS 45 Ca 0.66 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.99 3gi6 s LYS 45 Cb -0.19 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 3gi6 s LYS 45 CO 0.23 -0.32 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.04 3gi6 s MET 46 N -2.40 2.79 0.07 4.03 -1.94 -1.26 -0.50 119.30 120.08 3gi6 s MET 46 Ca -0.06 -0.79 0.10 0.00 -1.71 0.00 0.00 55.69 53.23 3gi6 s MET 46 Cb -0.01 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.66 3gi6 s MET 46 CO -0.02 0.14 -0.26 0.96 -0.01 0.00 0.00 175.02 175.83 3gi6 s ILE 47 N 0.43 2.14 0.03 2.53 -4.36 -0.69 -4.96 121.20 116.32 3gi6 s ILE 47 Ca -0.18 -1.49 0.08 0.00 -0.26 0.00 0.00 60.65 58.81 3gi6 s ILE 47 Cb -0.17 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 3gi6 s ILE 47 CO 0.07 0.27 -0.23 -0.83 0.24 0.00 0.00 174.94 174.47 3gi6 s GLY 48 N -1.47 1.45 0.00 6.27 0.00 -1.26 -1.10 107.32 111.20 3gi6 s GLY 48 Ca 0.12 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3gi6 s GLY 48 CO 0.03 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.66 3gi6 n GLY 49 N 1.83 4.07 3.72 0.20 0.00 -0.15 -4.99 105.19 109.87 3gi6 n GLY 49 Ca -0.17 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3gi6 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gi6 n ILE 50 N 0.00 0.02 0.00 -0.61 5.41 -1.26 -2.21 119.36 120.72 3gi6 n ILE 50 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3gi6 n ILE 50 Cb 0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 3gi6 n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gi6 n GLY 51 N 4.01 2.71 0.00 7.39 0.00 -1.26 -4.92 105.19 113.12 3gi6 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 0.40 3.64 -0.02 0.00 -0.94 -5.09 105.19 101.17 3gi6 n GLY 52 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.59 2.79 0.14 1.61 0.40 -1.26 -0.97 117.98 119.10 3gi6 s PHE 53 Ca 0.00 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 3gi6 s PHE 53 Cb 0.00 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 3gi6 s PHE 53 CO 0.00 0.51 -0.17 0.96 0.70 0.00 0.00 175.22 177.22 3gi6 s ILE 54 N -1.68 1.64 -0.09 0.64 -4.36 -0.26 -4.98 121.20 112.11 3gi6 s ILE 54 Ca 0.26 -1.79 -0.21 0.00 -0.26 0.00 0.00 60.65 58.65 3gi6 s ILE 54 Cb -0.09 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 3gi6 s ILE 54 CO 0.17 -0.31 0.61 -1.59 0.24 0.00 0.00 174.94 174.07 3gi6 s LYS 55 N -2.62 4.40 0.21 0.37 0.00 -1.26 -1.70 119.74 119.15 3gi6 s LYS 55 Ca 0.12 0.72 0.04 0.00 0.00 0.00 0.00 55.97 56.85 3gi6 s LYS 55 Cb -0.06 -3.44 -0.05 0.00 0.00 0.00 0.00 37.83 34.28 3gi6 s LYS 55 CO 0.05 0.10 -0.04 0.14 0.00 0.00 0.00 175.35 175.61 3gi6 s VAL 56 N 0.72 1.13 -0.22 1.79 -7.23 0.34 -4.32 120.40 112.61 3gi6 s VAL 56 Ca 0.33 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 3gi6 s VAL 56 Cb -0.17 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3gi6 s VAL 56 CO 0.15 -0.43 0.01 -0.13 -0.31 0.00 0.00 175.10 174.40 3gi6 s ARG 57 N -3.82 3.56 -0.33 4.82 0.52 0.12 -1.44 118.95 122.39 3gi6 s ARG 57 Ca 0.26 -0.54 -0.20 0.00 -0.52 0.00 0.00 55.73 54.73 3gi6 s ARG 57 Cb 0.05 -3.15 -0.00 0.00 0.52 0.00 0.00 34.95 32.36 3gi6 s ARG 57 CO 0.07 -0.13 0.62 -1.14 0.02 0.00 0.00 175.30 174.74 3gi6 s GLN 58 N 1.37 3.77 -0.09 3.54 0.74 0.65 -0.40 119.66 129.25 3gi6 s GLN 58 Ca 0.05 0.14 -0.01 0.00 0.05 0.00 0.00 55.36 55.58 3gi6 s GLN 58 Cb -0.15 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 3gi6 s GLN 58 CO 0.01 -0.65 -0.03 0.71 -0.55 0.00 0.00 175.29 174.78 3gi6 s TYR 59 N 2.62 3.04 0.16 1.67 1.51 -0.03 -1.59 117.35 124.74 3gi6 s TYR 59 Ca 0.24 0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.37 3gi6 s TYR 59 Cb -0.15 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3gi6 s TYR 59 CO 0.13 0.30 0.10 -0.51 -1.11 0.00 0.00 175.55 174.47 3gi6 s ASP 60 N -0.58 5.36 -1.37 2.29 1.01 -1.26 -0.85 116.67 121.27 3gi6 s ASP 60 Ca 0.09 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.14 3gi6 s ASP 60 Cb -0.12 -1.35 0.02 0.00 1.01 0.00 0.00 42.92 42.48 3gi6 s ASP 60 CO 0.02 0.09 0.80 0.00 0.21 0.00 0.00 175.17 176.29 3gi6 n GLN 61 N -0.19 -5.23 -3.37 8.23 1.13 -1.11 -4.91 117.38 111.94 3gi6 n GLN 61 Ca -0.09 0.62 -0.39 0.00 -1.94 0.00 0.00 57.00 55.21 3gi6 n GLN 61 Cb 0.54 -5.30 -0.08 0.00 0.11 0.00 0.00 30.24 25.51 3gi6 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gi6 s ILE 62 N -3.55 5.17 0.23 5.09 -1.09 -0.24 -4.73 121.20 122.08 3gi6 s ILE 62 Ca 0.21 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 3gi6 s ILE 62 Cb -0.10 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 3gi6 s ILE 62 CO 0.81 0.17 1.16 -2.16 -1.23 0.00 0.00 174.94 173.70 3gi6 s PRO 63 N 1.90 4.55 -0.05 2.79 0.05 -1.26 -2.13 135.00 140.85 3gi6 s PRO 63 Ca 0.17 1.86 -0.03 0.00 0.05 0.00 0.00 61.00 63.05 3gi6 s PRO 63 Cb -0.15 -3.21 0.02 0.00 0.05 0.00 0.00 34.50 31.21 3gi6 s PRO 63 CO 0.09 0.03 0.12 -1.50 0.05 0.00 0.00 177.00 175.80 3gi6 s ILE 64 N -0.59 -0.02 -0.22 0.56 -1.16 -0.05 -4.60 121.20 115.11 3gi6 s ILE 64 Ca 0.49 0.07 -0.10 0.00 -0.51 0.00 0.00 60.65 60.60 3gi6 s ILE 64 Cb -0.33 -0.19 -0.05 0.00 0.61 0.00 0.00 42.46 42.50 3gi6 s ILE 64 CO 0.40 0.03 0.15 -1.83 -2.81 0.00 0.00 174.94 170.87 3gi6 s GLU 65 N 0.51 4.11 -0.26 3.50 4.04 -0.23 -0.91 118.70 129.45 3gi6 s GLU 65 Ca -0.04 -0.25 0.03 0.00 0.04 0.00 0.00 54.97 54.74 3gi6 s GLU 65 Cb -0.05 -3.49 0.06 0.00 0.02 0.00 0.00 34.13 30.67 3gi6 s GLU 65 CO -0.02 0.15 -0.09 0.42 -1.84 0.00 0.00 175.26 173.88 3gi6 s ILE 66 N 0.80 2.02 -1.59 1.83 1.01 0.47 -0.46 121.20 125.29 3gi6 s ILE 66 Ca 0.08 -1.59 -0.16 0.00 0.00 0.00 0.00 60.65 58.98 3gi6 s ILE 66 Cb -0.13 -2.19 0.11 0.00 0.01 0.00 0.00 42.46 40.27 3gi6 s ILE 66 CO 0.02 -0.09 0.90 0.00 0.00 0.00 0.00 174.94 175.78 3gi6 n GLY 68 N -1.56 0.35 3.81 0.00 0.00 -1.26 -5.02 105.19 101.51 3gi6 n GLY 68 Ca 0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.69 3.50 0.13 1.61 4.02 0.00 -5.08 115.29 117.79 3gi6 s HIS 69 Ca 0.00 0.43 -0.28 0.00 1.02 0.00 0.00 55.06 56.23 3gi6 s HIS 69 Cb 0.00 -2.00 -0.07 0.00 -1.02 0.00 0.00 32.58 29.49 3gi6 s HIS 69 CO 0.00 0.57 0.88 0.15 1.02 0.00 0.00 174.74 177.36 3gi6 s LYS 70 N -0.56 4.67 0.05 1.40 1.02 -1.26 -0.39 119.74 124.66 3gi6 s LYS 70 Ca 0.12 1.33 -0.01 0.00 0.02 0.00 0.00 55.97 57.42 3gi6 s LYS 70 Cb -0.12 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3gi6 s LYS 70 CO 0.02 0.36 -0.02 0.00 -0.92 0.00 0.00 175.35 174.79 3gi6 s ALA 71 N -0.46 0.43 -0.20 5.17 0.00 -0.09 -4.67 121.76 121.94 3gi6 s ALA 71 Ca 0.42 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3gi6 s ALA 71 Cb -0.23 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.23 3gi6 s ALA 71 CO 0.28 -0.36 0.46 -1.50 0.00 0.00 0.00 175.76 174.64 3gi6 s ILE 72 N -3.73 -0.17 -0.48 0.00 2.07 -1.26 -0.87 121.20 116.76 3gi6 s ILE 72 Ca 0.05 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3gi6 s ILE 72 Cb 0.06 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.97 3gi6 s ILE 72 CO -0.09 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.58 3gi6 n GLY 73 N 4.52 -0.72 3.73 1.50 0.00 -0.91 -4.85 105.19 108.46 3gi6 n GLY 73 Ca -0.20 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.00 4.22 -0.05 2.61 2.01 -1.26 -1.08 115.64 119.09 3gi6 s THR 74 Ca 0.00 1.83 0.03 0.00 0.31 0.00 0.00 61.69 63.86 3gi6 s THR 74 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3gi6 s THR 74 CO 0.00 0.27 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.38 3gi6 s VAL 75 N 0.06 1.15 -0.24 3.82 1.01 -0.03 -4.43 120.40 121.74 3gi6 s VAL 75 Ca 0.49 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 3gi6 s VAL 75 Cb -0.26 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3gi6 s VAL 75 CO 0.32 0.35 0.11 -0.76 0.00 0.00 0.00 175.10 175.12 3gi6 s LEU 76 N 0.31 3.74 -0.16 3.92 1.43 0.27 -0.85 118.68 127.34 3gi6 s LEU 76 Ca -0.08 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3gi6 s LEU 76 Cb -0.12 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3gi6 s LEU 76 CO 0.02 0.01 -0.06 -0.69 0.23 0.00 0.00 176.35 175.86 3gi6 s VAL 77 N 1.36 3.58 -0.01 -1.59 1.01 0.47 0.08 120.40 125.30 3gi6 s VAL 77 Ca 0.06 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 3gi6 s VAL 77 Cb -0.15 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.71 3gi6 s VAL 77 CO 0.05 0.48 0.66 0.61 0.00 0.00 0.00 175.10 176.90 3gi6 n GLY 78 N 3.82 0.43 2.47 4.51 0.00 -0.76 0.16 105.19 115.83 3gi6 n GLY 78 Ca -0.18 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.47 3.22 -3.42 1.61 -0.04 -1.26 -2.72 135.00 131.92 3gi6 n PRO 79 Ca 0.02 -2.16 -0.35 0.00 -0.04 0.00 0.00 63.50 60.97 3gi6 n PRO 79 Cb 0.30 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 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 2.66 4.93 0.02 0.52 -1.32 -1.26 -5.00 115.64 116.19 3gi6 s THR 80 Ca 0.61 0.71 0.29 0.00 -1.21 0.00 0.00 61.69 62.08 3gi6 s THR 80 Cb 0.16 -3.71 0.33 0.00 -1.51 0.00 0.00 72.50 67.77 3gi6 s THR 80 CO -0.06 0.26 1.86 1.55 -2.21 0.00 0.00 174.62 176.02 3gi6 h PRO 81 N 3.60 0.00 -4.12 7.08 0.14 -1.98 -3.43 132.00 133.29 3gi6 h PRO 81 Ca -0.49 0.00 -0.25 0.00 0.14 0.00 0.00 66.00 65.41 3gi6 h PRO 81 Cb 1.19 0.00 -0.25 0.00 0.14 0.00 0.00 31.00 32.09 3gi6 h PRO 81 CO 0.66 0.08 -0.73 0.14 0.14 0.00 0.00 178.00 178.30 3gi6 s VAL 82 N -3.57 0.25 0.05 1.56 -7.23 -1.26 -5.05 120.40 105.15 3gi6 s VAL 82 Ca 0.02 -0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 3gi6 s VAL 82 Cb 0.09 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.68 3gi6 s VAL 82 CO 0.60 -0.19 1.16 0.20 -0.31 0.00 0.00 175.10 176.56 3gi6 s ASN 83 N -0.76 7.14 -0.20 4.85 0.01 -1.26 -4.61 114.94 120.10 3gi6 s ASN 83 Ca -0.06 1.95 0.01 0.00 -0.71 0.00 0.00 52.86 54.06 3gi6 s ASN 83 Cb -0.05 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.06 3gi6 s ASN 83 CO -0.00 -0.43 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.39 3gi6 s ILE 84 N 1.01 1.85 -0.44 0.60 1.01 0.14 -0.65 121.20 124.72 3gi6 s ILE 84 Ca 0.57 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 3gi6 s ILE 84 Cb -0.28 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.40 3gi6 s ILE 84 CO 0.29 0.29 0.73 -0.63 0.00 0.00 0.00 174.94 175.62 3gi6 s ILE 85 N 1.33 4.72 0.70 2.92 -1.09 0.37 -0.54 121.20 129.61 3gi6 s ILE 85 Ca 0.00 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 3gi6 s ILE 85 Cb -0.15 -4.27 0.13 0.00 -1.58 0.00 0.00 42.46 36.58 3gi6 s ILE 85 CO -0.09 -0.66 0.97 -0.83 -1.23 0.00 0.00 174.94 173.09 3gi6 s GLY 86 N 2.07 1.75 0.49 6.18 0.00 -1.24 -1.22 107.32 115.36 3gi6 s GLY 86 Ca 0.27 -1.88 0.15 0.00 0.00 0.00 0.00 44.72 43.26 3gi6 s GLY 86 CO 0.21 -1.31 2.11 3.21 0.00 0.00 0.00 173.10 177.32 3gi6 h ARG 87 N -0.41 0.06 -0.56 2.90 3.08 -0.85 -1.32 114.38 117.27 3gi6 h ARG 87 Ca -0.34 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.84 3gi6 h ARG 87 Cb 1.27 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3gi6 h ARG 87 CO 0.39 0.07 0.39 -2.95 -1.07 0.00 0.00 179.97 176.81 3gi6 h ASN 88 N 0.06 0.16 0.00 7.04 -1.07 -1.78 -2.60 115.58 117.39 3gi6 h ASN 88 Ca 0.01 0.01 -0.22 0.00 0.07 0.00 0.00 56.30 56.17 3gi6 h ASN 88 Cb 0.06 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 36.24 3gi6 h ASN 88 CO 0.00 0.09 -2.00 0.18 0.07 0.00 0.00 177.43 175.77 3gi6 n LEU 89 N -4.43 0.00 -0.34 6.14 4.77 -0.75 -4.41 117.00 117.98 3gi6 n LEU 89 Ca 0.10 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.10 3gi6 n LEU 89 Cb 0.51 0.30 0.16 0.00 -2.33 0.00 0.00 43.42 42.06 3gi6 n LEU 89 CO 0.35 0.30 1.23 -0.07 -1.33 0.00 0.00 177.39 177.87 3gi6 h LEU 90 N 0.00 0.93 -1.24 2.23 3.38 -1.06 -1.25 115.31 118.31 3gi6 h LEU 90 Ca -0.33 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3gi6 h LEU 90 Cb 1.70 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 3gi6 h LEU 90 CO 0.02 0.60 0.33 0.71 0.09 0.00 0.00 178.44 180.18 3gi6 h THR 91 N 1.07 1.19 0.00 0.22 1.35 -1.70 -1.47 112.91 113.57 3gi6 h THR 91 Ca 0.40 -0.49 -0.06 0.00 -0.55 0.00 0.00 66.41 65.71 3gi6 h THR 91 Cb 0.17 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 3gi6 h THR 91 CO -0.17 0.21 -0.30 1.56 -0.25 0.00 0.00 175.52 176.57 3gi6 h GLN 92 N 0.85 0.00 -0.54 4.72 4.20 -1.44 -2.38 115.11 120.53 3gi6 h GLN 92 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3gi6 h GLN 92 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3gi6 h GLN 92 CO -0.03 0.30 0.00 0.44 -0.67 0.00 0.00 178.83 178.86 3gi6 n ILE 93 N -3.88 0.71 -1.24 2.54 -5.35 -1.08 -4.93 119.36 106.13 3gi6 n ILE 93 Ca -0.02 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.67 3gi6 n ILE 93 Cb 0.38 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 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 1.51 0.61 3.70 3.28 0.00 -0.90 -5.02 105.19 108.36 3gi6 n GLY 94 Ca 0.21 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 1.28 1.62 -0.13 0.00 -4.23 -1.26 -4.64 115.64 108.28 3gi6 s THR 96 Ca 0.43 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.67 3gi6 s THR 96 Cb -0.18 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3gi6 s THR 96 CO 0.19 -0.61 0.16 -0.76 -0.54 0.00 0.00 174.62 173.07 3gi6 s LEU 97 N -3.29 4.36 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.60 3gi6 s LEU 97 Ca 0.22 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 3gi6 s LEU 97 Cb 0.00 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.12 3gi6 s LEU 97 CO 0.06 0.36 -0.01 0.20 0.23 0.00 0.00 176.35 177.19 3gi6 s ASN 98 N -0.76 0.34 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.39 3gi6 s ASN 98 Ca 0.14 -0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.41 3gi6 s ASN 98 Cb -0.12 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 3gi6 s ASN 98 CO 0.04 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.74