#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 4.23 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.65 2i0d s GLN 2 Ca 0.00 0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.76 2i0d s GLN 2 Cb 0.00 -3.39 0.02 0.00 1.10 0.00 0.00 33.01 30.74 2i0d s GLN 2 CO 0.00 0.29 -0.18 0.42 -0.55 0.00 0.00 175.29 175.27 2i0d s ILE 3 N 0.24 1.94 0.75 -2.34 1.01 -1.26 -5.12 121.20 116.42 2i0d s ILE 3 Ca 0.23 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 2i0d s ILE 3 Cb -0.15 -1.80 0.07 0.00 0.01 0.00 0.00 42.46 40.59 2i0d s ILE 3 CO 0.09 0.46 1.08 0.42 0.00 0.00 0.00 174.94 176.99 2i0d s THR 4 N 1.32 2.18 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.40 2i0d s THR 4 Ca 0.04 -0.18 0.15 0.00 -1.18 0.00 0.00 61.69 60.51 2i0d s THR 4 Cb -0.14 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.01 2i0d s THR 4 CO -0.12 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.30 2i0d n LEU 5 N -3.08 2.08 0.25 4.79 4.77 -1.26 -4.50 117.00 120.06 2i0d n LEU 5 Ca 0.08 -3.00 0.14 0.00 -0.03 0.00 0.00 56.01 53.21 2i0d n LEU 5 Cb 0.61 -0.38 0.57 0.00 -2.33 0.00 0.00 43.42 41.88 2i0d n LEU 5 CO 0.53 0.83 0.91 -0.50 -1.33 0.00 0.00 177.39 177.83 2i0d h TRP 6 N 0.33 0.00 -2.90 -1.77 4.06 -2.07 -3.43 115.95 110.17 2i0d h TRP 6 Ca -0.01 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.43 2i0d h TRP 6 Cb 1.10 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.11 2i0d h TRP 6 CO 0.23 0.09 -0.76 0.15 -3.56 0.00 0.00 178.44 174.59 2i0d s LYS 7 N -3.64 1.38 0.07 0.49 1.02 -1.26 -5.11 119.74 112.68 2i0d s LYS 7 Ca 0.01 -1.56 -0.36 0.00 0.02 0.00 0.00 55.97 54.08 2i0d s LYS 7 Cb 0.09 -1.32 -0.16 0.00 -0.52 0.00 0.00 37.83 35.92 2i0d s LYS 7 CO 0.59 0.24 1.44 0.54 -0.92 0.00 0.00 175.35 177.24 2i0d n ARG 8 N -0.19 1.38 -1.35 1.68 1.74 -1.26 -4.85 116.66 113.81 2i0d n ARG 8 Ca -0.09 0.50 -0.40 0.00 -0.77 0.00 0.00 57.85 57.08 2i0d n ARG 8 Cb 0.59 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 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 3.04 2.26 -3.00 5.56 -0.04 -1.26 -4.92 135.00 136.65 2i0d n PRO 9 Ca 0.19 -2.13 -0.40 0.00 -0.04 0.00 0.00 63.50 61.12 2i0d n PRO 9 Cb 0.21 -3.01 -0.05 0.00 -0.04 0.00 0.00 33.50 30.61 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 1.39 4.37 0.18 1.53 1.43 -1.26 -1.39 118.68 124.92 2i0d s LEU 10 Ca 0.52 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 2i0d s LEU 10 Cb 0.14 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 2i0d s LEU 10 CO 0.01 -0.08 -0.08 0.68 0.23 0.00 0.00 176.35 177.11 2i0d s VAL 11 N 0.51 1.24 0.02 -1.59 -7.23 0.15 -4.94 120.40 108.57 2i0d s VAL 11 Ca 0.39 -2.08 -0.28 0.00 -1.81 0.00 0.00 61.98 58.20 2i0d s VAL 11 Cb -0.19 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 2i0d s VAL 11 CO 0.21 -0.60 0.89 -0.89 -0.31 0.00 0.00 175.10 174.39 2i0d s THR 12 N -3.28 4.79 0.15 5.32 2.01 -1.26 -0.98 115.64 122.38 2i0d s THR 12 Ca 0.21 1.87 0.09 0.00 0.31 0.00 0.00 61.69 64.18 2i0d s THR 12 Cb 0.03 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2i0d s THR 12 CO 0.04 0.25 -0.16 0.27 -0.69 0.00 0.00 174.62 174.34 2i0d s ILE 13 N 0.54 2.92 -0.17 1.82 -4.36 -0.04 -1.42 121.20 120.48 2i0d s ILE 13 Ca 0.46 -1.63 -0.02 0.00 -0.26 0.00 0.00 60.65 59.20 2i0d s ILE 13 Cb -0.21 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 2i0d s ILE 13 CO 0.26 -0.01 -0.10 -0.60 0.24 0.00 0.00 174.94 174.73 2i0d s ARG 14 N -2.47 3.35 -0.10 0.37 3.52 -0.39 -1.98 118.95 121.25 2i0d s ARG 14 Ca 0.21 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 55.10 2i0d s ARG 14 Cb -0.10 -2.79 0.05 0.00 -1.56 0.00 0.00 34.95 30.56 2i0d s ARG 14 CO 0.12 0.00 0.16 -1.50 -0.81 0.00 0.00 175.30 173.27 2i0d s ILE 15 N 0.91 -0.25 -1.68 4.11 2.07 -0.18 -1.77 121.20 124.41 2i0d s ILE 15 Ca -0.02 0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 59.50 2i0d s ILE 15 Cb -0.15 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.11 2i0d s ILE 15 CO -0.00 0.10 0.12 0.61 -1.91 0.00 0.00 174.94 173.85 2i0d n GLY 16 N 5.32 -0.46 2.23 1.50 0.00 -1.26 -1.75 105.19 110.77 2i0d n GLY 16 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.11 0.69 3.63 -0.02 0.00 -1.26 -5.02 105.19 102.10 2i0d n GLY 17 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.06 2.77 -0.17 1.61 -1.52 -0.72 -5.11 119.66 116.46 2i0d s GLN 18 Ca 0.00 -0.57 -0.09 0.00 -1.95 0.00 0.00 55.36 52.75 2i0d s GLN 18 Cb 0.00 -2.64 -0.05 0.00 -0.22 0.00 0.00 33.01 30.11 2i0d s GLN 18 CO 0.00 0.65 0.12 -0.51 -0.25 0.00 0.00 175.29 175.30 2i0d s LEU 19 N -1.15 4.16 0.08 2.90 1.43 -1.26 -1.01 118.68 123.83 2i0d s LEU 19 Ca 0.15 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 2i0d s LEU 19 Cb -0.11 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2i0d s LEU 19 CO 0.05 0.24 -0.06 -0.54 0.23 0.00 0.00 176.35 176.27 2i0d s LYS 20 N -0.00 0.74 -0.01 1.70 1.02 -0.84 -5.00 119.74 117.35 2i0d s LYS 20 Ca 0.09 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 54.73 2i0d s LYS 20 Cb -0.11 -0.10 -0.05 0.00 -0.52 0.00 0.00 37.83 37.04 2i0d s LYS 20 CO -0.00 -0.04 0.33 -1.21 -0.92 0.00 0.00 175.35 173.51 2i0d s GLU 21 N -3.61 3.74 0.05 1.68 0.41 -1.26 -0.86 118.70 118.85 2i0d s GLU 21 Ca 0.08 0.19 -0.06 0.00 -0.41 0.00 0.00 54.97 54.77 2i0d s GLU 21 Cb 0.04 -3.16 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 2i0d s GLU 21 CO -0.06 0.68 0.11 0.00 -0.49 0.00 0.00 175.26 175.50 2i0d s ALA 22 N -1.15 -0.05 -0.25 5.21 0.00 -0.16 -4.58 121.76 120.78 2i0d s ALA 22 Ca 0.24 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 2i0d s ALA 22 Cb -0.15 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2i0d s ALA 22 CO 0.12 -0.36 0.19 -1.17 0.00 0.00 0.00 175.76 174.54 2i0d s LEU 23 N -2.36 4.09 -0.36 0.00 2.96 -0.17 -0.67 118.68 122.17 2i0d s LEU 23 Ca -0.02 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.72 2i0d s LEU 23 Cb 0.01 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.55 2i0d s LEU 23 CO -0.06 0.02 1.43 -0.76 -1.32 0.00 0.00 176.35 175.65 2i0d s LEU 24 N 1.29 3.69 -0.50 -0.68 1.43 -0.49 -0.69 118.68 122.74 2i0d s LEU 24 Ca 0.09 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.26 2i0d s LEU 24 Cb -0.14 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.67 2i0d s LEU 24 CO 0.07 -1.33 0.27 -0.62 0.23 0.00 0.00 176.35 174.96 2i0d s ASP 25 N 3.78 4.03 0.54 2.29 -1.08 -0.62 -4.77 116.67 120.85 2i0d s ASP 25 Ca 0.62 -2.91 0.32 0.00 -0.52 0.00 0.00 52.55 50.06 2i0d s ASP 25 Cb -0.16 -1.38 1.40 0.00 -1.46 0.00 0.00 42.92 41.32 2i0d s ASP 25 CO 0.30 -0.23 2.00 0.71 0.52 0.00 0.00 175.17 178.47 2i0d h THR 26 N 5.31 0.17 -0.04 1.71 1.35 -1.93 -1.68 112.91 117.80 2i0d h THR 26 Ca -0.03 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2i0d h THR 26 Cb 0.90 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2i0d h THR 26 CO 0.60 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 2i0d n GLY 27 N -0.13 -0.72 3.32 5.82 0.00 -1.26 -4.76 105.19 107.47 2i0d n GLY 27 Ca -0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.94 2.83 0.24 4.61 0.00 -0.63 -4.98 121.76 121.89 2i0d s ALA 28 Ca 0.23 -1.15 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2i0d s ALA 28 Cb 0.11 -1.71 0.22 0.00 0.00 0.00 0.00 23.12 21.75 2i0d s ALA 28 CO 0.18 -0.40 1.89 -0.44 0.00 0.00 0.00 175.76 177.00 2i0d h ASP 29 N 8.04 1.09 -4.20 0.00 3.32 -1.86 0.39 116.42 123.20 2i0d h ASP 29 Ca -0.41 -0.05 -0.63 0.00 0.02 0.00 0.00 57.03 55.96 2i0d h ASP 29 Cb 1.16 -0.27 -0.25 0.00 0.22 0.00 0.00 39.33 40.19 2i0d h ASP 29 CO 0.60 0.82 -0.86 -1.81 -1.72 0.00 0.00 179.24 176.27 2i0d s ASP 30 N -6.11 2.84 -0.16 6.45 1.01 -1.26 -2.44 116.67 116.99 2i0d s ASP 30 Ca -0.13 -0.61 -0.28 0.00 0.71 0.00 0.00 52.55 52.23 2i0d s ASP 30 Cb 0.17 -0.22 -0.01 0.00 1.01 0.00 0.00 42.92 43.88 2i0d s ASP 30 CO 0.81 0.17 0.98 -0.89 0.21 0.00 0.00 175.17 176.46 2i0d s THR 31 N -0.92 4.77 -0.09 -1.27 2.01 -1.26 -3.92 115.64 114.96 2i0d s THR 31 Ca 0.10 1.95 0.01 0.00 0.31 0.00 0.00 61.69 64.05 2i0d s THR 31 Cb -0.10 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.16 2i0d s THR 31 CO 0.03 -0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.12 2i0d s VAL 32 N 2.44 1.05 0.09 3.82 1.01 -0.71 -1.49 120.40 126.61 2i0d s VAL 32 Ca 0.45 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2i0d s VAL 32 Cb -0.17 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2i0d s VAL 32 CO 0.13 0.35 -0.12 -0.76 0.00 0.00 0.00 175.10 174.70 2i0d s LEU 33 N 1.19 2.94 1.04 3.92 1.43 0.98 -1.01 118.68 129.17 2i0d s LEU 33 Ca -0.05 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2i0d s LEU 33 Cb -0.14 -1.75 0.21 0.00 0.03 0.00 0.00 46.19 44.54 2i0d s LEU 33 CO -0.02 0.19 1.09 -1.61 0.23 0.00 0.00 176.35 176.23 2i0d s GLU 34 N -2.06 0.08 0.09 1.70 2.02 -1.26 -1.48 118.70 117.79 2i0d s GLU 34 Ca 0.20 1.20 -0.36 0.00 0.02 0.00 0.00 54.97 56.02 2i0d s GLU 34 Cb -0.11 -1.64 -0.17 0.00 0.10 0.00 0.00 34.13 32.31 2i0d s GLU 34 CO 0.12 -3.16 1.30 -1.91 0.02 0.00 0.00 175.26 171.63 2i0d n GLU 35 N -4.56 1.07 -3.55 1.61 4.07 -1.25 -4.55 120.64 113.48 2i0d n GLU 35 Ca 0.07 0.39 -0.09 0.00 -0.06 0.00 0.00 57.16 57.47 2i0d n GLU 35 Cb 0.53 -2.00 -0.02 0.00 -0.06 0.00 0.00 31.44 29.89 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 0.35 1.15 -0.15 5.31 0.23 -1.26 -5.04 119.30 119.90 2i0d s MET 36 Ca 0.84 -0.49 -0.17 0.00 -1.03 0.00 0.00 55.69 54.83 2i0d s MET 36 Cb -0.96 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.78 2i0d s MET 36 CO 0.48 -0.51 0.44 -0.80 -2.03 0.00 0.00 175.02 172.60 2i0d s ASN 37 N -2.70 6.58 0.08 -1.18 0.01 -1.26 -5.04 114.94 111.44 2i0d s ASN 37 Ca 0.05 0.69 0.07 0.00 -0.71 0.00 0.00 52.86 52.97 2i0d s ASN 37 Cb -0.02 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.35 2i0d s ASN 37 CO -0.07 -0.03 -0.18 -0.76 -1.51 0.00 0.00 177.10 174.55 2i0d s LEU 38 N 0.89 2.27 0.67 0.60 1.43 -1.26 -5.08 118.68 118.20 2i0d s LEU 38 Ca 0.23 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 2i0d s LEU 38 Cb -0.15 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.34 2i0d s LEU 38 CO 0.09 0.02 1.01 -2.16 0.23 0.00 0.00 176.35 175.54 2i0d s PRO 39 N -1.74 2.59 0.03 1.29 0.04 -1.26 -4.97 135.00 130.98 2i0d s PRO 39 Ca 0.04 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.12 2i0d s PRO 39 Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2i0d s PRO 39 CO 0.03 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.45 2i0d n GLY 40 N -2.86 -3.25 3.75 0.56 0.00 -1.26 -4.94 105.19 97.20 2i0d n GLY 40 Ca 0.06 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.93 4.78 0.29 1.61 0.00 -1.26 -5.06 119.74 119.16 2i0d s LYS 41 Ca 0.00 1.55 0.08 0.00 0.00 0.00 0.00 55.97 57.60 2i0d s LYS 41 Cb 0.00 -3.21 -0.06 0.00 0.00 0.00 0.00 37.83 34.56 2i0d s LYS 41 CO 0.00 0.42 -0.10 1.67 0.00 0.00 0.00 175.35 177.34 2i0d s TRP 42 N -1.22 2.10 -0.02 1.78 1.48 -1.26 -4.55 118.94 117.25 2i0d s TRP 42 Ca 0.43 -0.56 0.07 0.00 -1.06 0.00 0.00 56.10 54.97 2i0d s TRP 42 Cb -0.27 -1.13 -0.02 0.00 -1.16 0.00 0.00 33.47 30.90 2i0d s TRP 42 CO 0.33 0.45 -0.24 0.15 -4.06 0.00 0.00 176.95 173.58 2i0d s LYS 43 N -3.65 2.02 0.27 3.25 -0.14 -0.64 -4.90 119.74 115.96 2i0d s LYS 43 Ca 0.29 -0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 53.75 2i0d s LYS 43 Cb 0.01 -1.91 -0.10 0.00 -1.68 0.00 0.00 37.83 34.15 2i0d s LYS 43 CO 0.13 0.49 1.43 -2.14 -0.76 0.00 0.00 175.35 174.50 2i0d s PRO 44 N -0.49 4.26 0.05 -1.68 0.02 -1.26 -0.70 135.00 135.21 2i0d s PRO 44 Ca 0.07 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 63.39 2i0d s PRO 44 Cb -0.10 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 2i0d s PRO 44 CO -0.00 -0.41 0.02 0.21 -0.33 0.00 0.00 177.00 176.49 2i0d s LYS 45 N -0.69 0.62 0.02 5.54 2.20 -0.54 -4.89 119.74 122.00 2i0d s LYS 45 Ca 0.58 -1.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.17 2i0d s LYS 45 Cb -0.42 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.10 2i0d s LYS 45 CO 0.46 -0.13 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.46 2i0d s MET 46 N -3.60 1.59 0.05 4.03 -1.94 -1.26 -0.79 119.30 117.38 2i0d s MET 46 Ca 0.04 -0.88 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 2i0d s MET 46 Cb 0.05 -1.64 -0.03 0.00 2.01 0.00 0.00 34.83 35.23 2i0d s MET 46 CO -0.09 0.43 -0.09 0.96 -0.01 0.00 0.00 175.02 176.22 2i0d s ILE 47 N -0.66 0.65 0.33 2.53 -4.36 -0.34 -4.96 121.20 114.39 2i0d s ILE 47 Ca 0.08 -1.16 -0.02 0.00 -0.26 0.00 0.00 60.65 59.29 2i0d s ILE 47 Cb -0.09 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.85 2i0d s ILE 47 CO 0.01 -0.37 0.57 -0.83 0.24 0.00 0.00 174.94 174.55 2i0d s GLY 48 N -1.67 1.59 0.00 6.27 0.00 -1.26 -0.86 107.32 111.40 2i0d s GLY 48 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2i0d s GLY 48 CO 0.01 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.09 2i0d n GLY 49 N -1.42 3.27 0.23 0.20 0.00 0.38 -4.95 105.19 102.90 2i0d n GLY 49 Ca -0.03 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.81 2i0d n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2i0d h ILE 50 N 0.73 0.96 -0.02 -0.61 2.10 -2.03 -2.95 117.51 115.70 2i0d h ILE 50 Ca 0.00 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.27 2i0d h ILE 50 Cb 0.00 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 2i0d h ILE 50 CO 0.00 0.18 -0.39 0.61 -1.08 0.00 0.00 178.15 177.48 2i0d n GLY 51 N -0.84 0.09 0.00 8.18 0.00 -1.26 -5.08 105.19 106.27 2i0d n GLY 51 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.32 0.91 3.52 -0.02 0.00 -1.11 -5.11 105.19 104.69 2i0d n GLY 52 Ca 0.09 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.57 2.64 0.11 1.61 0.40 -1.26 -0.47 117.98 118.44 2i0d s PHE 53 Ca 0.00 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2i0d s PHE 53 Cb 0.00 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 2i0d s PHE 53 CO 0.00 0.36 -0.09 0.96 0.70 0.00 0.00 175.22 177.16 2i0d s ILE 54 N -1.10 0.89 0.05 0.64 -4.36 -0.04 -4.96 121.20 112.33 2i0d s ILE 54 Ca 0.18 -1.83 -0.18 0.00 -0.26 0.00 0.00 60.65 58.56 2i0d s ILE 54 Cb -0.11 -1.56 -0.06 0.00 1.25 0.00 0.00 42.46 41.98 2i0d s ILE 54 CO 0.10 -0.71 0.53 -0.54 0.24 0.00 0.00 174.94 174.56 2i0d s LYS 55 N -3.35 4.14 0.17 0.37 1.02 -1.26 -1.20 119.74 119.64 2i0d s LYS 55 Ca 0.10 0.66 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2i0d s LYS 55 Cb 0.01 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 2i0d s LYS 55 CO -0.02 0.63 0.01 0.14 -0.92 0.00 0.00 175.35 175.19 2i0d s VAL 56 N -1.02 0.64 -0.16 3.17 -7.23 0.03 -4.47 120.40 111.35 2i0d s VAL 56 Ca 0.28 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 2i0d s VAL 56 Cb -0.19 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2i0d s VAL 56 CO 0.17 -0.46 0.04 -0.13 -0.31 0.00 0.00 175.10 174.41 2i0d s ARG 57 N -3.93 3.75 -0.31 4.82 0.52 0.21 -1.47 118.95 122.55 2i0d s ARG 57 Ca 0.24 -0.37 -0.11 0.00 -0.52 0.00 0.00 55.73 54.97 2i0d s ARG 57 Cb 0.06 -3.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 2i0d s ARG 57 CO 0.04 0.37 0.20 -1.14 0.02 0.00 0.00 175.30 174.79 2i0d s GLN 58 N 0.09 3.61 -0.16 3.54 0.74 0.13 -0.85 119.66 126.76 2i0d s GLN 58 Ca 0.04 -0.55 -0.04 0.00 0.05 0.00 0.00 55.36 54.86 2i0d s GLN 58 Cb -0.12 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 2i0d s GLN 58 CO 0.01 -0.35 -0.03 0.71 -0.55 0.00 0.00 175.29 175.08 2i0d s TYR 59 N 1.71 3.04 0.14 1.67 1.51 -0.19 -1.62 117.35 123.60 2i0d s TYR 59 Ca 0.06 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 2i0d s TYR 59 Cb -0.17 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2i0d s TYR 59 CO 0.09 -0.02 0.22 -0.51 -1.11 0.00 0.00 175.55 174.23 2i0d s ASP 60 N 0.36 6.09 -1.29 2.29 1.01 -1.26 -1.27 116.67 122.59 2i0d s ASP 60 Ca -0.04 0.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.30 2i0d s ASP 60 Cb -0.14 -1.77 -0.00 0.00 1.01 0.00 0.00 42.92 42.01 2i0d s ASP 60 CO 0.03 0.08 0.69 0.00 0.21 0.00 0.00 175.17 176.17 2i0d n GLN 61 N -0.32 -4.28 -3.53 8.23 1.13 -1.08 -4.92 117.38 112.61 2i0d n GLN 61 Ca -0.07 0.59 -0.37 0.00 -1.94 0.00 0.00 57.00 55.21 2i0d n GLN 61 Cb 0.54 -5.04 -0.08 0.00 0.11 0.00 0.00 30.24 25.76 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 -3.67 5.29 0.08 5.09 -1.09 0.41 -4.71 121.20 122.60 2i0d s ILE 62 Ca 0.06 0.46 -0.31 0.00 -2.23 0.00 0.00 60.65 58.63 2i0d s ILE 62 Cb -0.02 -3.61 -0.07 0.00 -1.58 0.00 0.00 42.46 37.18 2i0d s ILE 62 CO 0.82 0.32 1.37 -2.84 -1.23 0.00 0.00 174.94 173.38 2i0d s PRO 63 N 1.04 4.32 -0.02 2.79 0.02 -1.26 -1.44 135.00 140.45 2i0d s PRO 63 Ca 0.14 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.19 2i0d s PRO 63 Cb -0.14 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2i0d s PRO 63 CO 0.05 -0.45 -0.07 0.42 -0.33 0.00 0.00 177.00 176.63 2i0d s ILE 64 N 1.41 0.58 -0.29 2.83 1.01 -0.56 -4.47 121.20 121.72 2i0d s ILE 64 Ca 0.64 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.94 2i0d s ILE 64 Cb -0.35 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2i0d s ILE 64 CO 0.29 0.19 0.12 -0.70 0.00 0.00 0.00 174.94 174.85 2i0d s GLU 65 N 0.19 3.49 -0.29 2.79 2.12 -0.73 -0.42 118.70 125.86 2i0d s GLU 65 Ca -0.02 -0.60 -0.05 0.00 0.36 0.00 0.00 54.97 54.65 2i0d s GLU 65 Cb -0.07 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.86 2i0d s GLU 65 CO -0.00 -0.32 0.05 0.42 -0.54 0.00 0.00 175.26 174.87 2i0d s ILE 66 N 1.62 3.62 -1.64 -3.70 1.01 0.14 -1.26 121.20 120.99 2i0d s ILE 66 Ca 0.05 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 2i0d s ILE 66 Cb -0.16 -2.91 0.09 0.00 0.01 0.00 0.00 42.46 39.49 2i0d s ILE 66 CO 0.06 0.05 0.35 0.00 0.00 0.00 0.00 174.94 175.39 2i0d n GLY 68 N -1.90 0.90 3.49 0.00 0.00 -1.26 -4.99 105.19 101.42 2i0d n GLY 68 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.39 2.99 -0.04 1.61 4.02 0.37 -5.08 115.29 116.77 2i0d s HIS 69 Ca 0.00 -0.33 -0.25 0.00 1.02 0.00 0.00 55.06 55.50 2i0d s HIS 69 Cb 0.00 -1.93 -0.04 0.00 -1.02 0.00 0.00 32.58 29.60 2i0d s HIS 69 CO 0.00 -0.04 0.79 -1.59 1.02 0.00 0.00 174.74 174.92 2i0d s LYS 70 N 0.29 4.48 0.16 1.40 0.00 -1.26 0.27 119.74 125.08 2i0d s LYS 70 Ca -0.04 1.05 0.08 0.00 0.00 0.00 0.00 55.97 57.06 2i0d s LYS 70 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 37.83 34.20 2i0d s LYS 70 CO 0.03 0.04 -0.18 0.00 0.00 0.00 0.00 175.35 175.25 2i0d s ALA 71 N 0.81 1.99 -0.13 0.59 0.00 0.44 -4.65 121.76 120.81 2i0d s ALA 71 Ca 0.42 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 2i0d s ALA 71 Cb -0.19 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2i0d s ALA 71 CO 0.21 0.23 0.08 0.42 0.00 0.00 0.00 175.76 176.71 2i0d s ILE 72 N -2.03 -0.08 0.00 0.00 1.01 -1.26 -1.49 121.20 117.34 2i0d s ILE 72 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2i0d s ILE 72 Cb -0.06 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2i0d s ILE 72 CO 0.06 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.48 2i0d n GLY 73 N 5.28 1.49 3.73 6.18 0.00 -0.52 -4.79 105.19 116.56 2i0d n GLY 73 Ca -0.06 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.77 4.80 -0.11 2.61 2.01 -1.26 -0.44 115.64 121.47 2i0d s THR 74 Ca 0.00 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2i0d s THR 74 Cb 0.00 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 68.39 2i0d s THR 74 CO 0.00 0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 2i0d s VAL 75 N 0.24 1.37 -0.10 3.82 1.01 -0.40 -4.58 120.40 121.76 2i0d s VAL 75 Ca 0.40 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 2i0d s VAL 75 Cb -0.20 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2i0d s VAL 75 CO 0.23 0.42 0.32 -0.76 0.00 0.00 0.00 175.10 175.31 2i0d s LEU 76 N 1.19 4.34 -0.12 3.92 1.43 -0.55 -1.03 118.68 127.86 2i0d s LEU 76 Ca -0.03 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 2i0d s LEU 76 Cb -0.14 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 2i0d s LEU 76 CO -0.04 0.20 -0.20 -0.69 0.23 0.00 0.00 176.35 175.86 2i0d s VAL 77 N -0.20 2.40 -2.05 -1.59 1.01 -0.03 -0.01 120.40 119.92 2i0d s VAL 77 Ca 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2i0d s VAL 77 Cb -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2i0d s VAL 77 CO 0.07 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2i0d n GLY 78 N 3.71 -1.34 2.13 4.51 0.00 -0.55 -0.62 105.19 113.03 2i0d n GLY 78 Ca -0.19 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.03 2.21 -2.31 1.61 -0.04 -1.26 -3.81 135.00 131.37 2i0d n PRO 79 Ca 0.00 -1.20 -0.39 0.00 -0.04 0.00 0.00 63.50 61.87 2i0d n PRO 79 Cb 0.00 -2.15 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 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 1.52 3.15 0.48 0.52 -1.32 -1.26 -4.95 115.64 113.78 2i0d s THR 80 Ca 0.61 1.07 0.21 0.00 -1.21 0.00 0.00 61.69 62.37 2i0d s THR 80 Cb 0.26 -3.64 0.26 0.00 -1.51 0.00 0.00 72.50 67.86 2i0d s THR 80 CO -0.01 0.18 2.09 1.55 -2.21 0.00 0.00 174.62 176.22 2i0d h PRO 81 N 3.15 0.00 -3.38 7.08 0.13 -1.97 -3.44 132.00 133.57 2i0d h PRO 81 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2i0d h PRO 81 Cb 1.23 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 2i0d h PRO 81 CO 0.64 0.10 -0.29 0.54 -0.23 0.00 0.00 178.00 178.77 2i0d s VAL 82 N -4.58 0.09 0.08 1.56 0.11 -1.26 -5.09 120.40 111.31 2i0d s VAL 82 Ca -0.04 -0.74 -0.31 0.00 -2.93 0.00 0.00 61.98 57.96 2i0d s VAL 82 Cb 0.15 -0.94 -0.10 0.00 -1.53 0.00 0.00 36.38 33.97 2i0d s VAL 82 CO 0.63 -0.41 1.88 0.20 -3.33 0.00 0.00 175.10 174.08 2i0d s ASN 83 N -2.09 6.44 -0.06 3.54 0.01 -1.26 -4.75 114.94 116.77 2i0d s ASN 83 Ca -0.05 2.71 0.06 0.00 -0.71 0.00 0.00 52.86 54.87 2i0d s ASN 83 Cb -0.01 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 2i0d s ASN 83 CO -0.04 -1.02 -0.23 0.27 -1.51 0.00 0.00 177.10 174.57 2i0d s ILE 84 N 3.52 1.91 -0.32 0.60 -4.36 -0.18 -1.00 121.20 121.36 2i0d s ILE 84 Ca 0.84 -0.99 -0.16 0.00 -0.26 0.00 0.00 60.65 60.08 2i0d s ILE 84 Cb -0.44 -1.62 -0.02 0.00 1.25 0.00 0.00 42.46 41.63 2i0d s ILE 84 CO 0.38 0.53 0.44 -0.63 0.24 0.00 0.00 174.94 175.90 2i0d s ILE 85 N -0.11 5.10 0.31 8.37 -1.09 0.14 -1.74 121.20 132.19 2i0d s ILE 85 Ca -0.04 0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 2i0d s ILE 85 Cb -0.13 -3.84 0.05 0.00 -1.58 0.00 0.00 42.46 36.96 2i0d s ILE 85 CO 0.03 -0.06 0.43 0.61 -1.23 0.00 0.00 174.94 174.73 2i0d n GLY 86 N 4.77 1.79 0.27 6.18 0.00 -1.25 -1.59 105.19 115.37 2i0d n GLY 86 Ca -0.07 -2.16 0.12 0.00 0.00 0.00 0.00 46.02 43.91 2i0d n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i0d h ARG 87 N 0.00 0.00 -0.14 1.61 3.08 -0.78 -1.09 114.38 117.07 2i0d h ARG 87 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2i0d h ARG 87 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2i0d h ARG 87 CO 0.20 0.03 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.17 2i0d h ASN 88 N 0.00 0.18 0.00 7.04 -1.07 -1.75 -1.91 115.58 118.07 2i0d h ASN 88 Ca -0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 56.30 56.14 2i0d h ASN 88 Cb 0.06 -0.05 -0.04 0.00 -2.07 0.00 0.00 38.32 36.23 2i0d h ASN 88 CO 0.00 0.23 -2.02 0.18 0.07 0.00 0.00 177.43 175.89 2i0d n LEU 89 N -4.41 0.00 -0.35 6.14 4.77 -0.79 -4.21 117.00 118.15 2i0d n LEU 89 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 2i0d n LEU 89 Cb 0.16 0.29 0.13 0.00 -2.33 0.00 0.00 43.42 41.67 2i0d n LEU 89 CO 0.36 0.29 1.28 -0.07 -1.33 0.00 0.00 177.39 177.92 2i0d h LEU 90 N 0.00 1.11 -1.06 2.23 3.38 -1.04 -1.32 115.31 118.62 2i0d h LEU 90 Ca -0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2i0d h LEU 90 Cb 1.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2i0d h LEU 90 CO 0.02 0.81 0.19 0.71 0.09 0.00 0.00 178.44 180.26 2i0d h THR 91 N 1.31 1.22 -0.61 0.22 1.35 -1.56 -1.28 112.91 113.56 2i0d h THR 91 Ca 0.35 -0.74 -0.07 0.00 -0.55 0.00 0.00 66.41 65.41 2i0d h THR 91 Cb -0.14 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 66.82 2i0d h THR 91 CO -0.08 0.29 0.11 1.56 -0.25 0.00 0.00 175.52 177.15 2i0d h GLN 92 N 0.85 0.98 -0.15 4.72 4.20 -1.43 -2.67 115.11 121.61 2i0d h GLN 92 Ca 0.19 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2i0d h GLN 92 Cb 0.23 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2i0d h GLN 92 CO -0.01 0.90 0.00 0.44 -0.67 0.00 0.00 178.83 179.49 2i0d n ILE 93 N -4.23 0.19 -1.01 2.54 -5.35 -0.88 -4.92 119.36 105.69 2i0d n ILE 93 Ca 0.04 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2i0d n ILE 93 Cb 0.27 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 1.01 0.53 3.71 3.28 0.00 -1.01 -5.01 105.19 107.71 2i0d n GLY 94 Ca 0.14 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 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 0.90 1.34 -0.02 0.00 -4.23 -1.26 -4.66 115.64 107.71 2i0d s THR 96 Ca 0.48 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 2i0d s THR 96 Cb -0.20 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2i0d s THR 96 CO 0.25 -0.62 0.29 -0.76 -0.54 0.00 0.00 174.62 173.25 2i0d s LEU 97 N -3.25 4.41 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.68 2i0d s LEU 97 Ca 0.21 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2i0d s LEU 97 Cb 0.02 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2i0d s LEU 97 CO 0.04 0.31 0.05 0.20 0.23 0.00 0.00 176.35 177.19 2i0d s ASN 98 N -1.30 0.03 0.00 2.29 0.01 -1.26 -5.29 114.94 109.42 2i0d s ASN 98 Ca 0.23 0.09 0.00 0.00 -0.71 0.00 0.00 52.86 52.47 2i0d s ASN 98 Cb -0.14 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.50 2i0d s ASN 98 CO 0.12 -0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.80