#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i0d s GLN 2 N 0.00 3.06 -0.24 0.54 0.74 -1.26 -5.11 119.66 117.39 2i0d s GLN 2 Ca 0.00 -0.85 -0.02 0.00 0.05 0.00 0.00 55.36 54.54 2i0d s GLN 2 Cb 0.00 -2.34 0.02 0.00 1.10 0.00 0.00 33.01 31.79 2i0d s GLN 2 CO 0.00 0.20 -0.06 0.42 -0.55 0.00 0.00 175.29 175.30 2i0d s ILE 3 N 0.29 2.91 0.69 -2.34 1.01 -1.26 -5.10 121.20 117.41 2i0d s ILE 3 Ca -0.16 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.41 2i0d s ILE 3 Cb -0.17 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.85 2i0d s ILE 3 CO 0.08 0.22 1.07 0.42 0.00 0.00 0.00 174.94 176.74 2i0d s THR 4 N 1.34 3.42 -0.22 2.92 -4.23 -1.26 -4.99 115.64 112.61 2i0d s THR 4 Ca 0.01 0.38 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 2i0d s THR 4 Cb -0.16 -3.44 0.52 0.00 1.34 0.00 0.00 72.50 70.76 2i0d s THR 4 CO -0.04 -0.57 1.45 0.18 -0.54 0.00 0.00 174.62 175.10 2i0d n LEU 5 N -2.96 4.04 0.03 4.79 4.77 -1.26 -4.46 117.00 121.95 2i0d n LEU 5 Ca 0.07 -3.29 0.03 0.00 -0.03 0.00 0.00 56.01 52.78 2i0d n LEU 5 Cb 0.57 -0.58 0.40 0.00 -2.33 0.00 0.00 43.42 41.48 2i0d n LEU 5 CO 0.57 0.88 1.05 -0.50 -1.33 0.00 0.00 177.39 178.06 2i0d h TRP 6 N 1.47 0.46 -2.75 -1.77 4.06 -2.06 -3.43 115.95 111.93 2i0d h TRP 6 Ca 0.10 -0.01 -0.48 0.00 2.06 0.00 0.00 58.89 60.55 2i0d h TRP 6 Cb 1.56 -0.14 -0.14 0.00 -1.00 0.00 0.00 29.16 29.44 2i0d h TRP 6 CO 0.70 0.37 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.73 2i0d s LYS 7 N -5.21 1.62 0.29 0.49 -2.85 -1.26 -5.11 119.74 107.70 2i0d s LYS 7 Ca -0.07 -1.87 -0.30 0.00 -1.00 0.00 0.00 55.97 52.72 2i0d s LYS 7 Cb 0.17 -0.98 -0.12 0.00 -2.06 0.00 0.00 37.83 34.84 2i0d s LYS 7 CO 0.74 -0.11 1.52 0.54 0.10 0.00 0.00 175.35 178.14 2i0d n ARG 8 N -0.65 2.50 -1.45 1.78 1.74 -1.26 -4.84 116.66 114.47 2i0d n ARG 8 Ca -0.04 0.89 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 2i0d n ARG 8 Cb 0.65 -2.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.45 2i0d n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2i0d n PRO 9 N 1.90 2.67 -3.12 5.56 -0.04 -1.26 -4.94 135.00 135.78 2i0d n PRO 9 Ca 0.09 -2.28 -0.39 0.00 -0.04 0.00 0.00 63.50 60.87 2i0d n PRO 9 Cb 0.36 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.70 2i0d n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2i0d s LEU 10 N 1.45 4.53 0.06 1.53 1.43 -1.26 -1.70 118.68 124.72 2i0d s LEU 10 Ca 0.53 1.42 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 2i0d s LEU 10 Cb 0.15 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 2i0d s LEU 10 CO -0.04 0.20 0.05 0.68 0.23 0.00 0.00 176.35 177.47 2i0d s VAL 11 N -0.89 0.19 0.03 -1.59 -7.23 -0.14 -4.91 120.40 105.86 2i0d s VAL 11 Ca 0.33 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.61 2i0d s VAL 11 Cb -0.21 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2i0d s VAL 11 CO 0.22 -0.88 0.99 -0.89 -0.31 0.00 0.00 175.10 174.23 2i0d s THR 12 N -3.90 4.73 0.24 5.32 2.01 -1.26 -0.62 115.64 122.15 2i0d s THR 12 Ca 0.06 2.02 0.11 0.00 0.31 0.00 0.00 61.69 64.20 2i0d s THR 12 Cb 0.07 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 2i0d s THR 12 CO -0.10 0.19 -0.20 0.27 -0.69 0.00 0.00 174.62 174.09 2i0d s ILE 13 N 0.77 2.54 -0.06 1.82 -4.36 0.41 -1.88 121.20 120.44 2i0d s ILE 13 Ca 0.51 -2.17 0.04 0.00 -0.26 0.00 0.00 60.65 58.77 2i0d s ILE 13 Cb -0.22 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.21 2i0d s ILE 13 CO 0.29 -0.26 -0.18 -0.60 0.24 0.00 0.00 174.94 174.43 2i0d s ARG 14 N -3.13 2.03 -0.25 0.37 3.52 0.12 -1.93 118.95 119.69 2i0d s ARG 14 Ca 0.26 -0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2i0d s ARG 14 Cb -0.07 -1.69 0.08 0.00 -1.56 0.00 0.00 34.95 31.72 2i0d s ARG 14 CO 0.13 0.20 0.10 -1.50 -0.81 0.00 0.00 175.30 173.41 2i0d s ILE 15 N 0.21 0.23 -1.32 4.11 2.07 -0.65 -0.96 121.20 124.89 2i0d s ILE 15 Ca -0.09 -0.71 -0.13 0.00 -1.41 0.00 0.00 60.65 58.32 2i0d s ILE 15 Cb -0.14 -1.03 0.01 0.00 0.13 0.00 0.00 42.46 41.43 2i0d s ILE 15 CO 0.04 -0.52 0.51 0.61 -1.91 0.00 0.00 174.94 173.67 2i0d n GLY 16 N 5.14 -0.53 2.30 1.50 0.00 -1.26 -1.55 105.19 110.78 2i0d n GLY 16 Ca -0.06 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2i0d n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i0d n GLY 17 N -2.02 0.43 3.29 -0.02 0.00 -1.26 -4.99 105.19 100.62 2i0d n GLY 17 Ca -0.22 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2i0d n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2i0d s GLN 18 N -4.05 3.27 -0.17 1.61 -1.52 -0.60 -5.12 119.66 113.10 2i0d s GLN 18 Ca 0.00 -0.71 -0.07 0.00 -1.95 0.00 0.00 55.36 52.63 2i0d s GLN 18 Cb 0.00 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 2i0d s GLN 18 CO 0.00 -0.02 0.09 -0.51 -0.25 0.00 0.00 175.29 174.60 2i0d s LEU 19 N 0.93 3.99 0.05 2.90 1.43 -1.26 -1.64 118.68 125.08 2i0d s LEU 19 Ca -0.02 0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2i0d s LEU 19 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2i0d s LEU 19 CO -0.01 0.23 -0.04 -0.54 0.23 0.00 0.00 176.35 176.23 2i0d s LYS 20 N 0.02 0.61 0.00 1.70 1.02 -0.81 -5.00 119.74 117.28 2i0d s LYS 20 Ca 0.07 -1.18 -0.13 0.00 0.02 0.00 0.00 55.97 54.76 2i0d s LYS 20 Cb -0.12 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2i0d s LYS 20 CO 0.00 -0.09 0.37 -1.21 -0.92 0.00 0.00 175.35 173.51 2i0d s GLU 21 N -3.66 3.82 0.01 1.68 0.41 -1.26 -0.44 118.70 119.26 2i0d s GLU 21 Ca 0.05 0.29 -0.07 0.00 -0.41 0.00 0.00 54.97 54.84 2i0d s GLU 21 Cb 0.06 -3.17 -0.00 0.00 -1.78 0.00 0.00 34.13 29.23 2i0d s GLU 21 CO -0.08 0.68 0.13 0.00 -0.49 0.00 0.00 175.26 175.49 2i0d s ALA 22 N -1.14 -0.29 -0.16 5.21 0.00 0.20 -4.30 121.76 121.29 2i0d s ALA 22 Ca 0.24 -0.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 2i0d s ALA 22 Cb -0.16 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2i0d s ALA 22 CO 0.13 -0.22 0.88 -0.51 0.00 0.00 0.00 175.76 176.04 2i0d s LEU 23 N -1.49 4.19 -0.54 0.00 1.43 0.25 -0.97 118.68 121.55 2i0d s LEU 23 Ca -0.14 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.95 2i0d s LEU 23 Cb -0.07 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2i0d s LEU 23 CO 0.01 -0.42 1.52 -0.76 0.23 0.00 0.00 176.35 176.93 2i0d s LEU 24 N 2.16 3.40 -0.35 1.79 1.43 -0.69 0.36 118.68 126.78 2i0d s LEU 24 Ca 0.41 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2i0d s LEU 24 Cb -0.17 -3.03 0.10 0.00 0.03 0.00 0.00 46.19 43.13 2i0d s LEU 24 CO 0.13 -1.81 0.06 -0.62 0.23 0.00 0.00 176.35 174.35 2i0d s ASP 25 N 5.14 4.70 0.39 2.29 3.68 -0.13 -4.84 116.67 127.91 2i0d s ASP 25 Ca 0.57 -2.17 0.28 0.00 2.13 0.00 0.00 52.55 53.37 2i0d s ASP 25 Cb -0.12 -1.58 1.16 0.00 -1.45 0.00 0.00 42.92 40.93 2i0d s ASP 25 CO 0.25 -0.38 1.84 0.71 0.13 0.00 0.00 175.17 177.72 2i0d h THR 26 N 6.55 0.00 -0.09 1.71 1.35 -1.93 -2.21 112.91 118.28 2i0d h THR 26 Ca -0.05 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2i0d h THR 26 Cb 1.01 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2i0d h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2i0d n GLY 27 N 0.01 -0.24 3.31 5.82 0.00 -1.26 -4.80 105.19 108.03 2i0d n GLY 27 Ca 0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2i0d n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0d s ALA 28 N -1.88 2.82 0.13 4.61 0.00 -0.83 -4.99 121.76 121.62 2i0d s ALA 28 Ca 0.31 -1.19 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2i0d s ALA 28 Cb 0.16 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2i0d s ALA 28 CO 0.25 -0.47 1.60 -0.44 0.00 0.00 0.00 175.76 176.70 2i0d h ASP 29 N 8.12 0.66 -2.10 0.00 3.32 -1.87 0.43 116.42 124.98 2i0d h ASP 29 Ca -0.41 -0.27 -0.61 0.00 0.02 0.00 0.00 57.03 55.76 2i0d h ASP 29 Cb 1.16 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 2i0d h ASP 29 CO 0.60 0.76 -0.72 -1.81 -1.72 0.00 0.00 179.24 176.35 2i0d s ASP 30 N -6.11 3.68 -0.08 6.45 1.01 -1.26 -2.59 116.67 117.78 2i0d s ASP 30 Ca -0.13 -1.08 -0.21 0.00 0.71 0.00 0.00 52.55 51.83 2i0d s ASP 30 Cb 0.10 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2i0d s ASP 30 CO 0.78 -0.06 0.61 -0.89 0.21 0.00 0.00 175.17 175.83 2i0d s THR 31 N -2.54 5.08 -0.13 -1.27 2.01 -1.26 -3.79 115.64 113.74 2i0d s THR 31 Ca 0.31 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.57 2i0d s THR 31 Cb -0.02 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2i0d s THR 31 CO 0.16 0.29 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.57 2i0d s VAL 32 N 0.63 1.35 0.11 3.82 1.01 -0.44 -0.62 120.40 126.26 2i0d s VAL 32 Ca 0.33 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2i0d s VAL 32 Cb -0.17 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2i0d s VAL 32 CO 0.15 0.42 -0.14 -0.76 0.00 0.00 0.00 175.10 174.77 2i0d s LEU 33 N 1.48 2.87 0.89 3.92 1.43 0.90 -0.24 118.68 129.94 2i0d s LEU 33 Ca 0.03 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 2i0d s LEU 33 Cb -0.13 -1.69 0.08 0.00 0.03 0.00 0.00 46.19 44.48 2i0d s LEU 33 CO -0.08 0.18 0.81 -1.84 0.23 0.00 0.00 176.35 175.65 2i0d n GLU 34 N 0.79 -0.21 -1.59 1.70 0.28 -1.26 -1.98 120.64 118.36 2i0d n GLU 34 Ca -0.15 -0.00 -0.52 0.00 -0.16 0.00 0.00 57.16 56.33 2i0d n GLU 34 Cb 0.52 -2.14 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 2i0d n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2i0d n GLU 35 N -2.76 1.17 -3.55 3.44 4.07 -1.13 -4.51 120.64 117.38 2i0d n GLU 35 Ca 0.10 0.42 -0.15 0.00 -0.06 0.00 0.00 57.16 57.47 2i0d n GLU 35 Cb 0.52 -2.07 -0.06 0.00 -0.06 0.00 0.00 31.44 29.77 2i0d n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2i0d s MET 36 N 0.56 0.87 -1.18 5.31 0.23 -1.26 -5.01 119.30 118.82 2i0d s MET 36 Ca 0.85 0.24 -0.11 0.00 -1.03 0.00 0.00 55.69 55.64 2i0d s MET 36 Cb -0.95 0.41 0.22 0.00 -1.53 0.00 0.00 34.83 32.98 2i0d s MET 36 CO 0.47 -0.26 1.38 -1.71 -2.03 0.00 0.00 175.02 172.86 2i0d n ASN 37 N 0.91 5.42 -4.77 -1.18 4.05 -1.26 -5.01 115.26 113.43 2i0d n ASN 37 Ca -0.15 -3.05 -0.39 0.00 0.45 0.00 0.00 54.58 51.44 2i0d n ASN 37 Cb 0.57 -1.47 -0.05 0.00 1.23 0.00 0.00 39.78 40.07 2i0d n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2i0d s LEU 38 N 0.01 4.41 0.62 1.20 1.43 -1.26 -5.02 118.68 120.07 2i0d s LEU 38 Ca 0.37 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 2i0d s LEU 38 Cb -0.03 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 2i0d s LEU 38 CO -0.02 -0.21 1.21 -2.16 0.23 0.00 0.00 176.35 175.40 2i0d s PRO 39 N -1.80 2.79 0.00 1.29 0.04 -1.26 -4.95 135.00 131.11 2i0d s PRO 39 Ca 0.49 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2i0d s PRO 39 Cb -0.27 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2i0d s PRO 39 CO 0.34 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.45 2i0d n GLY 40 N 0.46 -3.03 3.79 0.56 0.00 -1.26 -5.00 105.19 100.71 2i0d n GLY 40 Ca 0.14 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 2i0d n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i0d s LYS 41 N -0.77 3.70 0.18 1.61 0.00 -1.26 -5.06 119.74 118.13 2i0d s LYS 41 Ca 0.00 1.40 -0.13 0.00 0.00 0.00 0.00 55.97 57.24 2i0d s LYS 41 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 37.83 35.76 2i0d s LYS 41 CO 0.00 -0.52 0.39 1.67 0.00 0.00 0.00 175.35 176.89 2i0d s TRP 42 N -1.96 0.15 0.01 1.78 1.48 -1.26 -4.50 118.94 114.64 2i0d s TRP 42 Ca 0.68 -0.50 0.03 0.00 -1.06 0.00 0.00 56.10 55.25 2i0d s TRP 42 Cb -0.18 0.15 -0.01 0.00 -1.16 0.00 0.00 33.47 32.27 2i0d s TRP 42 CO 0.22 -0.80 -0.10 0.15 -4.06 0.00 0.00 176.95 172.35 2i0d s LYS 43 N -3.92 0.74 0.41 3.25 -0.14 -0.85 -4.91 119.74 114.32 2i0d s LYS 43 Ca 0.13 -0.49 -0.23 0.00 -1.36 0.00 0.00 55.97 54.02 2i0d s LYS 43 Cb 0.01 -0.69 -0.09 0.00 -1.68 0.00 0.00 37.83 35.38 2i0d s LYS 43 CO -0.02 0.18 1.02 -1.25 -0.76 0.00 0.00 175.35 174.52 2i0d s PRO 44 N -0.64 4.16 0.07 -1.68 0.04 -1.26 -0.23 135.00 135.45 2i0d s PRO 44 Ca 0.01 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.29 2i0d s PRO 44 Cb -0.05 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.09 2i0d s PRO 44 CO 0.00 -0.13 0.37 0.21 0.04 0.00 0.00 177.00 177.50 2i0d s LYS 45 N -2.69 0.93 -0.09 4.56 2.20 -0.55 -4.91 119.74 119.19 2i0d s LYS 45 Ca 0.59 -0.52 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2i0d s LYS 45 Cb -0.18 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 2i0d s LYS 45 CO 0.23 -0.32 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.07 2i0d s MET 46 N -2.91 2.43 0.04 4.03 -1.94 -1.26 -0.15 119.30 119.54 2i0d s MET 46 Ca -0.03 -0.66 0.09 0.00 -1.71 0.00 0.00 55.69 53.38 2i0d s MET 46 Cb 0.00 -1.92 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 2i0d s MET 46 CO -0.05 0.08 -0.26 0.96 -0.01 0.00 0.00 175.02 175.73 2i0d s ILE 47 N 0.57 2.13 0.05 2.53 -4.36 -0.47 -4.96 121.20 116.69 2i0d s ILE 47 Ca -0.15 -1.35 0.05 0.00 -0.26 0.00 0.00 60.65 58.95 2i0d s ILE 47 Cb -0.17 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 2i0d s ILE 47 CO 0.05 0.40 -0.10 -0.83 0.24 0.00 0.00 174.94 174.70 2i0d s GLY 48 N -1.14 1.72 0.00 6.27 0.00 -1.26 -1.08 107.32 111.83 2i0d s GLY 48 Ca 0.11 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2i0d s GLY 48 CO 0.02 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.69 2i0d n GLY 49 N 1.27 4.04 3.69 0.20 0.00 0.32 -4.98 105.19 109.74 2i0d n GLY 49 Ca -0.15 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.46 2i0d n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2i0d n ILE 50 N 0.00 0.13 0.00 -0.61 5.41 -1.26 -1.81 119.36 121.22 2i0d n ILE 50 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2i0d n ILE 50 Cb 0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 2i0d n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2i0d n GLY 51 N 3.88 1.85 0.00 7.39 0.00 -1.26 -4.89 105.19 112.16 2i0d n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2i0d n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i0d n GLY 52 N -2.00 0.11 3.47 -0.02 0.00 -0.75 -5.08 105.19 100.92 2i0d n GLY 52 Ca 0.00 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2i0d n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2i0d s PHE 53 N 0.00 2.54 0.15 1.61 0.40 -1.26 -0.52 117.98 120.90 2i0d s PHE 53 Ca 0.00 -0.27 0.10 0.00 -0.60 0.00 0.00 56.93 56.17 2i0d s PHE 53 Cb 0.00 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2i0d s PHE 53 CO 0.00 0.31 -0.23 0.96 0.70 0.00 0.00 175.22 176.96 2i0d s ILE 54 N -1.03 2.11 -0.06 0.64 -4.36 -0.24 -4.97 121.20 113.30 2i0d s ILE 54 Ca 0.16 -1.83 -0.23 0.00 -0.26 0.00 0.00 60.65 58.49 2i0d s ILE 54 Cb -0.10 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 2i0d s ILE 54 CO 0.07 -0.07 0.67 -0.75 0.24 0.00 0.00 174.94 175.10 2i0d s LYS 55 N -2.35 4.42 0.29 0.37 2.20 -1.26 -1.36 119.74 122.05 2i0d s LYS 55 Ca 0.15 0.82 0.05 0.00 -0.36 0.00 0.00 55.97 56.63 2i0d s LYS 55 Cb -0.09 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2i0d s LYS 55 CO 0.07 0.13 0.01 0.14 -0.36 0.00 0.00 175.35 175.34 2i0d s VAL 56 N 0.60 1.30 -0.18 4.02 -7.23 0.78 -4.41 120.40 115.28 2i0d s VAL 56 Ca 0.35 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 2i0d s VAL 56 Cb -0.18 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2i0d s VAL 56 CO 0.17 -0.15 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.60 2i0d s ARG 57 N -3.84 3.36 -0.33 4.82 0.52 0.85 -1.48 118.95 122.85 2i0d s ARG 57 Ca 0.33 -0.66 -0.18 0.00 -0.52 0.00 0.00 55.73 54.70 2i0d s ARG 57 Cb 0.07 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.69 2i0d s ARG 57 CO 0.13 -0.04 0.49 -1.14 0.02 0.00 0.00 175.30 174.77 2i0d s GLN 58 N 1.03 3.72 -0.13 3.54 0.74 0.68 -0.24 119.66 128.99 2i0d s GLN 58 Ca -0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.28 2i0d s GLN 58 Cb -0.15 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2i0d s GLN 58 CO -0.01 -0.57 0.01 0.71 -0.55 0.00 0.00 175.29 174.89 2i0d s TYR 59 N 2.34 3.17 0.16 1.67 1.51 0.73 -2.01 117.35 124.92 2i0d s TYR 59 Ca 0.18 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.35 2i0d s TYR 59 Cb -0.16 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2i0d s TYR 59 CO 0.12 0.30 0.22 -0.51 -1.11 0.00 0.00 175.55 174.57 2i0d s ASP 60 N -0.32 5.99 -1.32 2.29 1.01 -1.26 -0.39 116.67 122.67 2i0d s ASP 60 Ca 0.07 0.04 -0.02 0.00 0.71 0.00 0.00 52.55 53.35 2i0d s ASP 60 Cb -0.12 -1.71 -0.00 0.00 1.01 0.00 0.00 42.92 42.09 2i0d s ASP 60 CO 0.02 0.06 0.61 0.00 0.21 0.00 0.00 175.17 176.07 2i0d n GLN 61 N -0.48 -3.99 -3.59 8.23 1.13 -1.15 -4.92 117.38 112.61 2i0d n GLN 61 Ca -0.08 0.54 -0.38 0.00 -1.94 0.00 0.00 57.00 55.14 2i0d n GLN 61 Cb 0.54 -4.88 -0.11 0.00 0.11 0.00 0.00 30.24 25.91 2i0d n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2i0d s ILE 62 N -3.75 5.31 0.11 5.09 -1.09 -0.50 -4.77 121.20 121.59 2i0d s ILE 62 Ca 0.05 0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.37 2i0d s ILE 62 Cb -0.02 -3.54 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 2i0d s ILE 62 CO 0.84 0.26 1.18 -2.84 -1.23 0.00 0.00 174.94 173.15 2i0d s PRO 63 N 1.65 4.48 -0.03 2.79 0.02 -1.26 -2.12 135.00 140.53 2i0d s PRO 63 Ca 0.08 1.77 0.03 0.00 0.02 0.00 0.00 61.00 62.90 2i0d s PRO 63 Cb -0.16 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.06 2i0d s PRO 63 CO 0.10 -0.15 -0.09 0.42 -0.33 0.00 0.00 177.00 176.94 2i0d s ILE 64 N 0.58 0.83 -0.22 2.83 1.01 -0.43 -4.58 121.20 121.21 2i0d s ILE 64 Ca 0.56 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 2i0d s ILE 64 Cb -0.30 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 2i0d s ILE 64 CO 0.32 0.26 0.13 -1.61 0.00 0.00 0.00 174.94 174.04 2i0d s GLU 65 N 0.23 4.07 -0.27 2.79 8.01 -0.13 -0.88 118.70 132.53 2i0d s GLU 65 Ca -0.04 -0.28 0.02 0.00 0.01 0.00 0.00 54.97 54.68 2i0d s GLU 65 Cb -0.09 -3.45 0.07 0.00 -4.31 0.00 0.00 34.13 26.35 2i0d s GLU 65 CO 0.01 0.15 -0.04 0.42 0.01 0.00 0.00 175.26 175.81 2i0d s ILE 66 N 0.78 1.85 -1.46 -1.63 1.01 0.24 0.13 121.20 122.14 2i0d s ILE 66 Ca 0.07 -1.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.00 2i0d s ILE 66 Cb -0.13 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.24 2i0d s ILE 66 CO 0.02 -0.23 0.91 0.00 0.00 0.00 0.00 174.94 175.64 2i0d n GLY 68 N -1.70 2.43 3.80 0.00 0.00 -1.26 -5.01 105.19 103.45 2i0d n GLY 68 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2i0d n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2i0d s HIS 69 N -3.26 3.82 0.01 1.61 4.02 -0.53 -5.06 115.29 115.91 2i0d s HIS 69 Ca 0.00 1.33 -0.23 0.00 1.02 0.00 0.00 55.06 57.18 2i0d s HIS 69 Cb 0.00 -2.55 -0.05 0.00 -1.02 0.00 0.00 32.58 28.96 2i0d s HIS 69 CO 0.00 0.56 0.68 0.15 1.02 0.00 0.00 174.74 177.15 2i0d s LYS 70 N -1.06 4.40 0.08 1.40 1.02 -1.26 -0.59 119.74 123.73 2i0d s LYS 70 Ca 0.30 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.18 2i0d s LYS 70 Cb -0.20 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 2i0d s LYS 70 CO 0.20 0.31 -0.03 0.00 -0.92 0.00 0.00 175.35 174.90 2i0d s ALA 71 N -0.05 0.73 -0.26 5.17 0.00 -0.06 -4.61 121.76 122.68 2i0d s ALA 71 Ca 0.35 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 2i0d s ALA 71 Cb -0.19 0.29 0.10 0.00 0.00 0.00 0.00 23.12 23.31 2i0d s ALA 71 CO 0.20 -0.33 0.60 -1.50 0.00 0.00 0.00 175.76 174.72 2i0d s ILE 72 N -3.82 -0.49 -0.53 0.00 2.07 -1.26 -1.31 121.20 115.86 2i0d s ILE 72 Ca 0.11 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 2i0d s ILE 72 Cb 0.07 -0.90 0.00 0.00 0.13 0.00 0.00 42.46 41.76 2i0d s ILE 72 CO -0.07 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 2i0d n GLY 73 N 4.92 -0.59 3.72 1.50 0.00 -0.90 -4.86 105.19 108.98 2i0d n GLY 73 Ca -0.16 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2i0d n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i0d s THR 74 N -3.16 4.41 -0.04 2.61 2.01 -1.26 -1.41 115.64 118.79 2i0d s THR 74 Ca 0.00 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.94 2i0d s THR 74 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2i0d s THR 74 CO 0.00 0.24 -0.14 0.68 -0.69 0.00 0.00 174.62 174.71 2i0d s VAL 75 N 0.34 1.23 -0.22 3.82 -7.23 0.48 -4.40 120.40 114.42 2i0d s VAL 75 Ca 0.50 -0.59 -0.09 0.00 -1.81 0.00 0.00 61.98 59.99 2i0d s VAL 75 Cb -0.25 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 2i0d s VAL 75 CO 0.30 0.36 0.12 -0.76 -0.31 0.00 0.00 175.10 174.82 2i0d s LEU 76 N 0.19 3.98 -0.13 1.32 1.43 0.21 -0.19 118.68 125.49 2i0d s LEU 76 Ca -0.06 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2i0d s LEU 76 Cb -0.12 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2i0d s LEU 76 CO 0.02 0.10 -0.15 -0.69 0.23 0.00 0.00 176.35 175.86 2i0d s VAL 77 N 0.82 2.86 -0.01 -1.59 1.01 0.66 -0.07 120.40 124.09 2i0d s VAL 77 Ca 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2i0d s VAL 77 Cb -0.13 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2i0d s VAL 77 CO 0.02 0.53 0.17 0.61 0.00 0.00 0.00 175.10 176.43 2i0d n GLY 78 N 3.60 0.43 2.63 4.51 0.00 -0.84 -0.11 105.19 115.41 2i0d n GLY 78 Ca -0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2i0d n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i0d n PRO 79 N -0.12 3.02 -3.71 1.61 -0.04 -1.26 -2.82 135.00 131.69 2i0d n PRO 79 Ca 0.01 -2.45 -0.35 0.00 -0.04 0.00 0.00 63.50 60.67 2i0d n PRO 79 Cb 0.07 -3.13 -0.05 0.00 -0.04 0.00 0.00 33.50 30.34 2i0d n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2i0d s THR 80 N 2.99 5.25 0.28 0.52 -1.32 -1.26 -5.01 115.64 117.08 2i0d s THR 80 Ca 0.53 0.29 0.30 0.00 -1.21 0.00 0.00 61.69 61.61 2i0d s THR 80 Cb 0.15 -3.58 0.32 0.00 -1.51 0.00 0.00 72.50 67.88 2i0d s THR 80 CO -0.07 0.39 2.01 1.55 -2.21 0.00 0.00 174.62 176.29 2i0d h PRO 81 N 4.08 0.00 -3.90 7.08 0.13 -1.99 -3.43 132.00 133.97 2i0d h PRO 81 Ca -0.50 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.42 2i0d h PRO 81 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 2i0d h PRO 81 CO 0.65 0.11 -0.71 0.14 -0.23 0.00 0.00 178.00 177.96 2i0d s VAL 82 N -3.89 0.08 0.05 1.56 -7.23 -1.26 -5.07 120.40 104.64 2i0d s VAL 82 Ca -0.01 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2i0d s VAL 82 Cb 0.11 -0.16 -0.05 0.00 0.56 0.00 0.00 36.38 36.84 2i0d s VAL 82 CO 0.57 -0.27 1.06 0.20 -0.31 0.00 0.00 175.10 176.35 2i0d s ASN 83 N -0.81 7.28 -0.20 4.85 0.01 -1.26 -4.56 114.94 120.25 2i0d s ASN 83 Ca -0.09 1.83 0.01 0.00 -0.71 0.00 0.00 52.86 53.90 2i0d s ASN 83 Cb -0.06 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.06 2i0d s ASN 83 CO -0.01 -0.31 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.50 2i0d s ILE 84 N 0.83 1.94 -0.41 0.60 1.01 0.67 -0.58 121.20 125.27 2i0d s ILE 84 Ca 0.54 -1.10 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 2i0d s ILE 84 Cb -0.25 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.34 2i0d s ILE 84 CO 0.29 0.30 0.61 -0.63 0.00 0.00 0.00 174.94 175.51 2i0d s ILE 85 N 1.29 4.88 0.70 2.92 -1.09 0.16 -1.32 121.20 128.73 2i0d s ILE 85 Ca -0.00 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2i0d s ILE 85 Cb -0.16 -4.13 0.12 0.00 -1.58 0.00 0.00 42.46 36.71 2i0d s ILE 85 CO -0.10 -0.47 0.96 -0.83 -1.23 0.00 0.00 174.94 173.27 2i0d s GLY 86 N 1.91 1.76 0.40 6.18 0.00 -1.25 -0.96 107.32 115.36 2i0d s GLY 86 Ca 0.22 -1.76 0.08 0.00 0.00 0.00 0.00 44.72 43.26 2i0d s GLY 86 CO 0.17 -1.21 2.00 3.21 0.00 0.00 0.00 173.10 177.27 2i0d h ARG 87 N -0.43 0.59 -0.97 2.90 3.08 -0.85 -1.26 114.38 117.43 2i0d h ARG 87 Ca -0.36 -0.04 0.24 0.00 0.07 0.00 0.00 59.98 59.90 2i0d h ARG 87 Cb 1.27 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 2i0d h ARG 87 CO 0.41 0.39 0.65 -2.95 -1.07 0.00 0.00 179.97 177.40 2i0d h ASN 88 N 0.61 0.33 0.00 7.04 -1.07 -1.76 -2.59 115.58 118.13 2i0d h ASN 88 Ca 0.24 0.05 -0.29 0.00 0.07 0.00 0.00 56.30 56.37 2i0d h ASN 88 Cb 0.20 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.38 2i0d h ASN 88 CO -0.07 0.10 -2.14 0.18 0.07 0.00 0.00 177.43 175.57 2i0d n LEU 89 N -4.49 0.00 -0.37 6.14 4.77 -0.61 -4.40 117.00 118.04 2i0d n LEU 89 Ca 0.22 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2i0d n LEU 89 Cb 0.84 0.39 0.15 0.00 -2.33 0.00 0.00 43.42 42.48 2i0d n LEU 89 CO 0.31 0.39 1.28 -0.07 -1.33 0.00 0.00 177.39 177.97 2i0d h LEU 90 N 0.00 1.08 -1.13 2.23 3.38 -1.00 -0.91 115.31 118.96 2i0d h LEU 90 Ca -0.43 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2i0d h LEU 90 Cb 1.98 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 2i0d h LEU 90 CO 0.02 0.72 0.52 0.71 0.09 0.00 0.00 178.44 180.51 2i0d h THR 91 N 1.25 1.22 0.00 0.22 1.35 -1.69 -1.56 112.91 113.70 2i0d h THR 91 Ca 0.41 -0.45 -0.08 0.00 -0.55 0.00 0.00 66.41 65.74 2i0d h THR 91 Cb 0.05 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.49 2i0d h THR 91 CO -0.14 0.23 -0.40 1.56 -0.25 0.00 0.00 175.52 176.52 2i0d h GLN 92 N 1.14 0.00 -0.15 4.72 4.20 -1.38 -1.98 115.11 121.66 2i0d h GLN 92 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2i0d h GLN 92 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2i0d h GLN 92 CO -0.06 0.40 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 2i0d n ILE 93 N -4.06 0.17 -1.08 2.54 -5.35 -1.04 -4.91 119.36 105.64 2i0d n ILE 93 Ca -0.02 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 2i0d n ILE 93 Cb 0.43 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 2i0d n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2i0d n GLY 94 N 1.26 0.83 3.71 3.28 0.00 -0.74 -5.04 105.19 108.49 2i0d n GLY 94 Ca 0.17 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 2i0d n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i0d s THR 96 N 0.97 1.64 -0.10 0.00 -4.23 -1.26 -4.60 115.64 108.06 2i0d s THR 96 Ca 0.39 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.64 2i0d s THR 96 Cb -0.18 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 2i0d s THR 96 CO 0.18 -0.43 0.23 -0.76 -0.54 0.00 0.00 174.62 173.30 2i0d s LEU 97 N -3.38 4.39 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.54 2i0d s LEU 97 Ca 0.26 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2i0d s LEU 97 Cb 0.02 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2i0d s LEU 97 CO 0.09 0.34 0.03 0.20 0.23 0.00 0.00 176.35 177.25 2i0d s ASN 98 N -0.82 0.03 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.02 2i0d s ASN 98 Ca 0.17 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 2i0d s ASN 98 Cb -0.13 -0.02 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 2i0d s ASN 98 CO 0.06 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.73