#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1izi s GLN 2 N 0.00 3.27 -0.22 0.54 0.74 -1.26 -5.09 119.66 117.64 1izi s GLN 2 Ca 0.00 -0.74 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 1izi s GLN 2 Cb 0.00 -2.56 0.01 0.00 1.10 0.00 0.00 33.01 31.56 1izi s GLN 2 CO 0.00 0.14 -0.10 0.42 -0.55 0.00 0.00 175.29 175.21 1izi s ILE 3 N 0.50 2.81 0.84 -2.34 1.01 -1.26 -5.12 121.20 117.64 1izi s ILE 3 Ca -0.11 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1izi s ILE 3 Cb -0.16 -2.30 0.11 0.00 0.01 0.00 0.00 42.46 40.11 1izi s ILE 3 CO 0.05 0.39 1.21 0.42 0.00 0.00 0.00 174.94 177.00 1izi s THR 4 N 1.37 2.01 -0.13 2.92 -4.23 -1.26 -5.02 115.64 111.30 1izi s THR 4 Ca 0.04 -0.01 0.16 0.00 -1.18 0.00 0.00 61.69 60.69 1izi s THR 4 Cb -0.15 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 70.96 1izi s THR 4 CO -0.07 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.34 1izi n LEU 5 N -3.41 2.43 0.19 4.79 4.77 -1.26 -4.50 117.00 120.01 1izi n LEU 5 Ca 0.10 -2.88 0.05 0.00 -0.03 0.00 0.00 56.01 53.24 1izi n LEU 5 Cb 0.61 -0.36 0.36 0.00 -2.33 0.00 0.00 43.42 41.69 1izi n LEU 5 CO 0.54 0.67 0.70 -0.50 -1.33 0.00 0.00 177.39 177.47 1izi h TRP 6 N 0.18 0.00 -1.92 -1.77 4.06 -2.06 -3.43 115.95 111.01 1izi h TRP 6 Ca 0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1izi h TRP 6 Cb 0.95 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.99 1izi h TRP 6 CO 0.04 0.38 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.02 1izi s GLN 7 N -3.81 1.98 0.28 0.49 -1.52 -1.26 -5.09 119.66 110.74 1izi s GLN 7 Ca -0.01 -1.82 -0.30 0.00 -1.95 0.00 0.00 55.36 51.28 1izi s GLN 7 Cb 0.12 -1.85 -0.12 0.00 -0.22 0.00 0.00 33.01 30.94 1izi s GLN 7 CO 0.69 0.13 1.47 0.54 -0.25 0.00 0.00 175.29 177.88 1izi n ARG 8 N -0.90 2.35 -1.51 2.91 1.74 -1.26 -4.85 116.66 115.14 1izi n ARG 8 Ca -0.04 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 1izi n ARG 8 Cb 0.63 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.51 1izi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1izi n PRO 9 N 1.82 2.62 -2.89 5.56 -0.04 -1.26 -4.95 135.00 135.86 1izi n PRO 9 Ca 0.09 -2.34 -0.40 0.00 -0.04 0.00 0.00 63.50 60.81 1izi n PRO 9 Cb 0.35 -3.11 -0.05 0.00 -0.04 0.00 0.00 33.50 30.64 1izi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1izi s LEU 10 N 1.64 4.47 0.12 1.53 1.43 -1.26 -0.53 118.68 126.08 1izi s LEU 10 Ca 0.52 1.58 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1izi s LEU 10 Cb 0.14 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1izi s LEU 10 CO -0.04 -0.01 -0.12 0.68 0.23 0.00 0.00 176.35 177.10 1izi s VAL 11 N -0.08 1.14 0.05 -1.59 -7.23 0.15 -4.93 120.40 107.92 1izi s VAL 11 Ca 0.41 -1.77 -0.24 0.00 -1.81 0.00 0.00 61.98 58.57 1izi s VAL 11 Cb -0.22 -1.54 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 1izi s VAL 11 CO 0.26 -0.55 0.75 -0.89 -0.31 0.00 0.00 175.10 174.35 1izi s THR 12 N -2.54 4.72 0.18 5.32 2.01 -1.26 -0.58 115.64 123.49 1izi s THR 12 Ca 0.09 1.59 0.09 0.00 0.31 0.00 0.00 61.69 63.77 1izi s THR 12 Cb -0.02 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1izi s THR 12 CO 0.01 0.38 -0.17 0.27 -0.69 0.00 0.00 174.62 174.42 1izi s ILE 13 N -0.16 1.85 -0.14 1.82 -4.36 0.07 -1.91 121.20 118.37 1izi s ILE 13 Ca 0.37 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1izi s ILE 13 Cb -0.20 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1izi s ILE 13 CO 0.23 -0.39 -0.17 -0.75 0.24 0.00 0.00 174.94 174.09 1izi s LYS 14 N -3.07 2.56 -0.16 0.37 2.36 -0.20 -0.55 119.74 121.05 1izi s LYS 14 Ca 0.19 -0.67 -0.13 0.00 -2.55 0.00 0.00 55.97 52.80 1izi s LYS 14 Cb -0.04 -2.20 0.05 0.00 -1.05 0.00 0.00 37.83 34.58 1izi s LYS 14 CO 0.07 -0.13 0.42 -1.50 1.55 0.00 0.00 175.35 175.76 1izi s ILE 15 N 1.15 -0.01 -1.31 5.43 2.07 0.07 -0.93 121.20 127.67 1izi s ILE 15 Ca -0.01 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1izi s ILE 15 Cb -0.14 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.86 1izi s ILE 15 CO -0.06 0.01 0.02 0.61 -1.91 0.00 0.00 174.94 173.61 1izi n GLY 16 N 3.24 -0.50 3.02 1.50 0.00 -1.26 -0.50 105.19 110.68 1izi n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1izi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1izi n GLY 17 N -0.90 0.87 3.76 -0.02 0.00 -1.26 -5.02 105.19 102.61 1izi n GLY 17 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1izi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1izi s GLN 18 N -0.10 2.86 -0.17 1.61 -0.21 0.34 -5.10 119.66 118.89 1izi s GLN 18 Ca 0.00 -0.67 -0.15 0.00 0.02 0.00 0.00 55.36 54.56 1izi s GLN 18 Cb 0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 1izi s GLN 18 CO 0.00 0.58 0.35 -0.51 -2.12 0.00 0.00 175.29 173.60 1izi s LEU 19 N -2.20 4.21 0.18 2.90 1.43 -1.26 -0.75 118.68 123.20 1izi s LEU 19 Ca 0.27 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1izi s LEU 19 Cb -0.12 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1izi s LEU 19 CO 0.19 0.02 0.08 -0.54 0.23 0.00 0.00 176.35 176.33 1izi s LYS 20 N 0.80 1.13 -0.00 1.70 1.02 0.29 -4.99 119.74 119.69 1izi s LYS 20 Ca 0.19 -1.58 0.03 0.00 0.02 0.00 0.00 55.97 54.63 1izi s LYS 20 Cb -0.14 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 1izi s LYS 20 CO 0.06 -0.30 -0.08 -1.21 -0.92 0.00 0.00 175.35 172.90 1izi s GLU 21 N -4.07 2.52 0.01 1.68 2.02 -1.26 -0.75 118.70 118.85 1izi s GLU 21 Ca 0.32 -0.73 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 1izi s GLU 21 Cb 0.07 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.85 1izi s GLU 21 CO 0.08 0.60 0.27 0.00 0.02 0.00 0.00 175.26 176.23 1izi s ALA 22 N -0.96 -0.64 -0.12 5.21 0.00 0.25 -4.62 121.76 120.88 1izi s ALA 22 Ca 0.16 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1izi s ALA 22 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1izi s ALA 22 CO 0.06 -0.32 0.57 -1.17 0.00 0.00 0.00 175.76 174.90 1izi s LEU 23 N -1.67 4.26 -0.43 0.00 2.96 -0.72 0.31 118.68 123.38 1izi s LEU 23 Ca -0.10 0.91 -0.29 0.00 -0.22 0.00 0.00 54.13 54.43 1izi s LEU 23 Cb -0.03 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.84 1izi s LEU 23 CO 0.01 -0.09 1.21 -0.76 -1.32 0.00 0.00 176.35 175.40 1izi s LEU 24 N 0.95 3.68 -0.45 -0.68 1.43 0.31 -0.62 118.68 123.30 1izi s LEU 24 Ca 0.29 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 1izi s LEU 24 Cb -0.16 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.64 1izi s LEU 24 CO 0.12 -1.24 0.19 -0.62 0.23 0.00 0.00 176.35 175.04 1izi s ASP 25 N 2.73 4.34 0.50 2.29 3.68 -0.60 -4.77 116.67 124.84 1izi s ASP 25 Ca 0.51 -2.67 0.34 0.00 2.13 0.00 0.00 52.55 52.86 1izi s ASP 25 Cb -0.10 -1.52 1.67 0.00 -1.45 0.00 0.00 42.92 41.52 1izi s ASP 25 CO 0.29 -0.28 2.02 0.71 0.13 0.00 0.00 175.17 178.03 1izi h THR 26 N 5.81 0.00 -0.00 1.71 1.35 -1.93 -1.97 112.91 117.88 1izi h THR 26 Ca -0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1izi h THR 26 Cb 0.94 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1izi h THR 26 CO 0.61 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.47 1izi n GLY 27 N -0.70 -1.09 3.39 5.82 0.00 -1.26 -4.78 105.19 106.57 1izi n GLY 27 Ca -0.01 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1izi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1izi s ALA 28 N -2.31 3.07 0.29 4.61 0.00 -0.74 -4.97 121.76 121.71 1izi s ALA 28 Ca 0.37 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1izi s ALA 28 Cb 0.21 -2.03 0.43 0.00 0.00 0.00 0.00 23.12 21.73 1izi s ALA 28 CO 0.42 -0.59 1.77 -0.44 0.00 0.00 0.00 175.76 176.93 1izi h ASP 29 N 8.21 0.58 -1.97 0.00 3.45 -1.86 0.33 116.42 125.16 1izi h ASP 29 Ca -0.37 -0.15 -0.56 0.00 0.43 0.00 0.00 57.03 56.37 1izi h ASP 29 Cb 1.16 -0.16 -0.09 0.00 -0.56 0.00 0.00 39.33 39.68 1izi h ASP 29 CO 0.59 0.72 -0.59 -1.81 -1.57 0.00 0.00 179.24 176.59 1izi s ASP 30 N -6.74 4.51 -0.27 6.45 1.01 -1.26 -1.98 116.67 118.38 1izi s ASP 30 Ca -0.08 -0.80 -0.12 0.00 0.71 0.00 0.00 52.55 52.26 1izi s ASP 30 Cb 0.14 -0.70 -0.05 0.00 1.01 0.00 0.00 42.92 43.32 1izi s ASP 30 CO 0.79 -0.20 0.24 -0.89 0.21 0.00 0.00 175.17 175.32 1izi s THR 31 N -2.43 5.27 -0.10 -1.27 2.01 -1.26 -2.66 115.64 115.21 1izi s THR 31 Ca 0.35 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1izi s THR 31 Cb -0.03 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.92 1izi s THR 31 CO 0.21 0.23 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 1izi s VAL 32 N 1.78 1.30 0.09 3.82 1.01 -0.51 -0.79 120.40 127.10 1izi s VAL 32 Ca 0.09 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1izi s VAL 32 Cb -0.16 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1izi s VAL 32 CO 0.10 0.40 -0.25 -0.76 0.00 0.00 0.00 175.10 174.59 1izi s LEU 33 N 1.07 2.25 1.17 3.92 1.43 -0.19 -0.39 118.68 127.94 1izi s LEU 33 Ca -0.06 -0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 52.25 1izi s LEU 33 Cb -0.15 -1.18 0.28 0.00 0.03 0.00 0.00 46.19 45.18 1izi s LEU 33 CO -0.02 0.19 0.99 -1.84 0.23 0.00 0.00 176.35 175.90 1izi n GLU 34 N 1.33 -2.43 -1.53 1.70 -0.00 -1.26 -1.70 120.64 116.75 1izi n GLU 34 Ca -0.18 -0.68 -0.58 0.00 -0.00 0.00 0.00 57.16 55.72 1izi n GLU 34 Cb 0.53 -2.16 -0.08 0.00 -0.00 0.00 0.00 31.44 29.73 1izi n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1izi n GLU 35 N -4.88 0.23 -3.54 3.44 4.07 -1.24 -4.44 120.64 114.29 1izi n GLU 35 Ca 0.03 0.08 -0.07 0.00 -0.06 0.00 0.00 57.16 57.15 1izi n GLU 35 Cb 0.54 -1.61 -0.02 0.00 -0.06 0.00 0.00 31.44 30.28 1izi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1izi s MET 36 N 0.32 0.62 0.23 5.31 0.23 -1.26 -5.03 119.30 119.72 1izi s MET 36 Ca 0.91 -0.21 -0.04 0.00 -1.03 0.00 0.00 55.69 55.31 1izi s MET 36 Cb -1.22 0.29 -0.05 0.00 -1.53 0.00 0.00 34.83 32.31 1izi s MET 36 CO 0.57 -0.27 0.48 1.21 -2.03 0.00 0.00 175.02 174.98 1izi s ASN 37 N -2.29 6.46 -0.06 -1.18 2.47 -1.26 -4.99 114.94 114.09 1izi s ASN 37 Ca 0.06 0.64 -0.04 0.00 0.42 0.00 0.00 52.86 53.94 1izi s ASN 37 Cb -0.01 -2.11 0.02 0.00 -1.45 0.00 0.00 41.25 37.70 1izi s ASN 37 CO -0.07 -0.09 0.15 -0.76 -3.72 0.00 0.00 177.10 172.61 1izi s LEU 38 N -3.22 1.13 0.02 3.21 1.43 -1.26 -4.96 118.68 115.04 1izi s LEU 38 Ca 0.42 0.31 -0.38 0.00 -1.03 0.00 0.00 54.13 53.45 1izi s LEU 38 Cb -0.11 0.48 -0.18 0.00 0.03 0.00 0.00 46.19 46.41 1izi s LEU 38 CO 0.27 -0.09 1.27 -2.65 0.23 0.00 0.00 176.35 175.39 1izi n PRO 39 N 3.47 0.72 0.00 1.29 -0.02 -1.26 -4.78 135.00 134.42 1izi n PRO 39 Ca -0.18 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1izi n PRO 39 Cb 0.56 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1izi n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1izi n GLY 40 N 2.29 -1.03 3.96 -1.23 0.00 -1.26 -5.02 105.19 102.90 1izi n GLY 40 Ca 0.20 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 1izi n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1izi s ARG 41 N -0.36 2.54 0.28 1.61 3.00 -1.26 -5.14 118.95 119.62 1izi s ARG 41 Ca 0.00 -0.66 -0.16 0.00 -1.00 0.00 0.00 55.73 53.91 1izi s ARG 41 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 34.95 32.52 1izi s ARG 41 CO 0.00 -0.76 0.60 1.67 0.00 0.00 0.00 175.30 176.81 1izi s TRP 42 N -2.83 0.15 0.03 5.12 1.48 -1.26 -4.51 118.94 117.13 1izi s TRP 42 Ca 0.57 -0.57 0.05 0.00 -1.06 0.00 0.00 56.10 55.09 1izi s TRP 42 Cb -0.10 0.44 -0.02 0.00 -1.16 0.00 0.00 33.47 32.63 1izi s TRP 42 CO 0.39 -1.15 -0.15 0.21 -4.06 0.00 0.00 176.95 172.19 1izi s LYS 43 N -3.79 1.04 0.78 3.25 2.20 -1.02 -4.96 119.74 117.24 1izi s LYS 43 Ca 0.18 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 54.94 1izi s LYS 43 Cb -0.03 -1.06 0.06 0.00 -1.51 0.00 0.00 37.83 35.29 1izi s LYS 43 CO 0.09 0.27 1.09 -2.14 -0.36 0.00 0.00 175.35 174.29 1izi s PRO 44 N -1.01 2.23 0.12 4.03 0.02 -1.26 -1.95 135.00 137.17 1izi s PRO 44 Ca 0.03 1.10 -0.25 0.00 0.02 0.00 0.00 61.00 61.90 1izi s PRO 44 Cb -0.08 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.62 1izi s PRO 44 CO 0.01 -1.64 0.77 0.15 -0.33 0.00 0.00 177.00 175.96 1izi s LYS 45 N -4.93 1.17 0.02 5.54 1.02 -0.70 -4.84 119.74 117.02 1izi s LYS 45 Ca 0.61 -0.51 0.08 0.00 0.02 0.00 0.00 55.97 56.17 1izi s LYS 45 Cb -0.17 0.49 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1izi s LYS 45 CO 0.56 -0.52 -0.22 -1.64 -0.92 0.00 0.00 175.35 172.60 1izi s MET 46 N -3.48 1.62 0.04 1.68 -1.94 -1.26 -0.59 119.30 115.37 1izi s MET 46 Ca 0.05 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.12 1izi s MET 46 Cb -0.02 -1.69 -0.02 0.00 2.01 0.00 0.00 34.83 35.11 1izi s MET 46 CO -0.07 0.44 -0.05 0.96 -0.01 0.00 0.00 175.02 176.30 1izi s ILE 47 N -0.70 0.33 0.28 2.53 -4.36 -0.47 -4.96 121.20 113.84 1izi s ILE 47 Ca 0.09 -1.13 0.10 0.00 -0.26 0.00 0.00 60.65 59.45 1izi s ILE 47 Cb -0.09 -0.61 -0.05 0.00 1.25 0.00 0.00 42.46 42.96 1izi s ILE 47 CO 0.01 -0.53 -0.15 -0.83 0.24 0.00 0.00 174.94 173.69 1izi s GLY 48 N -1.75 1.86 0.00 6.27 0.00 -1.26 0.12 107.32 112.57 1izi s GLY 48 Ca -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1izi s GLY 48 CO -0.02 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.77 1izi n GLY 49 N -0.61 3.64 3.75 0.20 0.00 -0.38 -5.00 105.19 106.79 1izi n GLY 49 Ca -0.06 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1izi n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1izi s ILE 50 N -0.86 3.07 0.00 -0.61 1.10 -1.26 -2.42 121.20 120.22 1izi s ILE 50 Ca 0.00 0.93 0.00 0.00 -0.51 0.00 0.00 60.65 61.07 1izi s ILE 50 Cb 0.00 -3.59 0.00 0.00 0.15 0.00 0.00 42.46 39.02 1izi s ILE 50 CO 0.00 0.16 0.00 0.61 -2.11 0.00 0.00 174.94 173.60 1izi n GLY 51 N 1.95 3.12 0.00 1.50 0.00 -1.26 -4.94 105.19 105.57 1izi n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1izi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1izi n GLY 52 N -0.54 0.62 3.46 -0.02 0.00 -1.01 -5.10 105.19 102.59 1izi n GLY 52 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1izi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1izi s PHE 53 N -2.75 2.46 0.10 1.61 0.40 -1.26 -1.25 117.98 117.30 1izi s PHE 53 Ca 0.00 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1izi s PHE 53 Cb 0.00 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1izi s PHE 53 CO 0.00 0.38 -0.10 0.96 0.70 0.00 0.00 175.22 177.16 1izi s ILE 54 N -1.17 0.97 0.05 0.64 -4.36 0.12 -4.95 121.20 112.49 1izi s ILE 54 Ca 0.17 -1.66 -0.24 0.00 -0.26 0.00 0.00 60.65 58.66 1izi s ILE 54 Cb -0.10 -1.39 -0.06 0.00 1.25 0.00 0.00 42.46 42.16 1izi s ILE 54 CO 0.09 -0.56 0.72 -0.75 0.24 0.00 0.00 174.94 174.68 1izi s LYS 55 N -2.83 4.45 0.17 0.37 2.20 -1.26 -1.37 119.74 121.46 1izi s LYS 55 Ca 0.06 0.98 0.03 0.00 -0.36 0.00 0.00 55.97 56.68 1izi s LYS 55 Cb -0.03 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1izi s LYS 55 CO 0.00 0.36 -0.05 0.14 -0.36 0.00 0.00 175.35 175.44 1izi s VAL 56 N -0.28 0.95 -0.16 4.02 -7.23 0.24 -4.28 120.40 113.65 1izi s VAL 56 Ca 0.36 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.45 1izi s VAL 56 Cb -0.20 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1izi s VAL 56 CO 0.22 -0.60 0.05 -0.13 -0.31 0.00 0.00 175.10 174.33 1izi s ARG 57 N -3.83 3.81 -0.26 4.82 0.52 0.11 -1.73 118.95 122.39 1izi s ARG 57 Ca 0.20 -0.35 -0.09 0.00 -0.52 0.00 0.00 55.73 54.98 1izi s ARG 57 Cb 0.05 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1izi s ARG 57 CO 0.02 0.36 0.12 -1.14 0.02 0.00 0.00 175.30 174.69 1izi s GLN 58 N 0.12 3.81 -0.11 3.54 0.74 -0.82 -0.17 119.66 126.77 1izi s GLN 58 Ca 0.04 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.09 1izi s GLN 58 Cb -0.12 -3.47 -0.00 0.00 1.10 0.00 0.00 33.01 30.52 1izi s GLN 58 CO 0.01 -0.15 -0.21 0.71 -0.55 0.00 0.00 175.29 175.10 1izi s TYR 59 N 1.58 2.64 0.20 1.67 1.51 -0.62 -2.44 117.35 121.89 1izi s TYR 59 Ca 0.06 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.19 1izi s TYR 59 Cb -0.15 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1izi s TYR 59 CO 0.07 -0.38 0.33 -0.51 -1.11 0.00 0.00 175.55 173.95 1izi s ASP 60 N 0.39 6.33 -1.40 2.29 1.01 -1.26 -0.90 116.67 123.13 1izi s ASP 60 Ca -0.16 0.16 -0.07 0.00 0.71 0.00 0.00 52.55 53.19 1izi s ASP 60 Cb -0.17 -1.90 0.04 0.00 1.01 0.00 0.00 42.92 41.89 1izi s ASP 60 CO 0.07 -0.02 0.95 0.00 0.21 0.00 0.00 175.17 176.39 1izi n GLN 61 N -0.95 -6.04 -3.58 8.23 6.02 -1.20 -4.89 117.38 114.98 1izi n GLN 61 Ca -0.07 0.68 -0.37 0.00 -0.01 0.00 0.00 57.00 57.23 1izi n GLN 61 Cb 0.55 -5.54 -0.06 0.00 1.02 0.00 0.00 30.24 26.22 1izi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1izi s ILE 62 N -3.41 5.11 0.02 5.09 -1.09 -0.30 -4.76 121.20 121.87 1izi s ILE 62 Ca 0.39 0.61 -0.17 0.00 -2.23 0.00 0.00 60.65 59.25 1izi s ILE 62 Cb -0.19 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1izi s ILE 62 CO 0.79 0.47 0.48 -0.22 -1.23 0.00 0.00 174.94 175.23 1izi s LEU 63 N -1.41 4.48 -0.06 2.97 2.96 -1.26 -0.62 118.68 125.74 1izi s LEU 63 Ca 0.26 1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1izi s LEU 63 Cb -0.15 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.84 1izi s LEU 63 CO 0.14 0.28 0.13 -0.51 -1.32 0.00 0.00 176.35 175.07 1izi s ILE 64 N -0.96 -0.04 -0.37 6.68 2.07 0.10 -4.37 121.20 124.32 1izi s ILE 64 Ca 0.26 0.16 -0.14 0.00 -1.41 0.00 0.00 60.65 59.52 1izi s ILE 64 Cb -0.18 -0.21 -0.00 0.00 0.13 0.00 0.00 42.46 42.20 1izi s ILE 64 CO 0.16 0.06 0.26 -1.61 -1.91 0.00 0.00 174.94 171.90 1izi s GLU 65 N 0.98 3.30 -0.27 3.50 2.02 -0.10 -0.56 118.70 127.56 1izi s GLU 65 Ca -0.08 -0.78 -0.05 0.00 0.02 0.00 0.00 54.97 54.08 1izi s GLU 65 Cb -0.10 -3.87 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1izi s GLU 65 CO -0.05 -0.56 0.02 0.42 0.02 0.00 0.00 175.26 175.12 1izi s ILE 66 N 1.71 3.52 -1.57 -1.63 1.01 0.49 -1.04 121.20 123.69 1izi s ILE 66 Ca 0.06 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 1izi s ILE 66 Cb -0.18 -2.80 0.15 0.00 0.01 0.00 0.00 42.46 39.65 1izi s ILE 66 CO 0.10 0.14 0.65 0.00 0.00 0.00 0.00 174.94 175.84 1izi n GLY 68 N -1.22 1.02 3.71 0.00 0.00 -1.26 -5.02 105.19 102.42 1izi n GLY 68 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1izi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1izi s HIS 69 N -3.51 3.41 0.06 1.61 4.02 0.58 -5.06 115.29 116.40 1izi s HIS 69 Ca 0.00 0.42 -0.23 0.00 1.02 0.00 0.00 55.06 56.27 1izi s HIS 69 Cb 0.00 -2.26 -0.06 0.00 -1.02 0.00 0.00 32.58 29.24 1izi s HIS 69 CO 0.00 0.22 0.70 0.15 1.02 0.00 0.00 174.74 176.83 1izi s LYS 70 N 0.56 4.42 0.05 1.40 3.01 -1.26 -0.38 119.74 127.54 1izi s LYS 70 Ca 0.11 0.95 -0.03 0.00 -1.01 0.00 0.00 55.97 55.99 1izi s LYS 70 Cb -0.12 -3.32 -0.03 0.00 -1.01 0.00 0.00 37.83 33.35 1izi s LYS 70 CO 0.01 0.40 0.03 0.14 0.51 0.00 0.00 175.35 176.45 1izi s VAL 71 N -0.42 0.18 -0.06 3.17 -7.23 0.27 -4.97 120.40 111.35 1izi s VAL 71 Ca 0.35 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1izi s VAL 71 Cb -0.20 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1izi s VAL 71 CO 0.21 -0.83 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.37 1izi s ILE 72 N -3.51 1.48 -0.02 -0.62 1.01 -1.26 -0.72 121.20 117.57 1izi s ILE 72 Ca 0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 1izi s ILE 72 Cb 0.05 -1.29 0.07 0.00 0.01 0.00 0.00 42.46 41.30 1izi s ILE 72 CO -0.09 0.43 1.01 0.61 0.00 0.00 0.00 174.94 176.91 1izi n GLY 73 N 3.42 0.30 3.74 6.18 0.00 0.21 -4.87 105.19 114.17 1izi n GLY 73 Ca -0.20 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1izi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1izi s THR 74 N -2.04 3.97 -0.06 2.61 2.01 -1.26 -1.15 115.64 119.72 1izi s THR 74 Ca 0.24 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.97 1izi s THR 74 Cb -0.01 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.43 1izi s THR 74 CO -0.01 0.29 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.38 1izi s VAL 75 N -0.24 1.30 -0.08 3.82 1.01 -0.08 -4.60 120.40 121.53 1izi s VAL 75 Ca 0.49 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1izi s VAL 75 Cb -0.28 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1izi s VAL 75 CO 0.34 0.39 0.11 -0.76 0.00 0.00 0.00 175.10 175.17 1izi s LEU 76 N 0.43 4.15 -0.04 3.92 1.43 0.03 -1.59 118.68 127.01 1izi s LEU 76 Ca -0.11 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1izi s LEU 76 Cb -0.14 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1izi s LEU 76 CO 0.04 0.36 -0.12 -0.69 0.23 0.00 0.00 176.35 176.17 1izi s VAL 77 N -1.06 1.02 -2.98 -1.59 1.01 0.76 -1.03 120.40 116.52 1izi s VAL 77 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1izi s VAL 77 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1izi s VAL 77 CO 0.07 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1izi n GLY 78 N 3.36 -1.22 1.37 4.51 0.00 -0.69 0.04 105.19 112.57 1izi n GLY 78 Ca -0.19 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1izi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1izi n PRO 79 N 0.00 0.78 -2.15 1.61 -0.04 -1.26 -3.64 135.00 130.30 1izi n PRO 79 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1izi n PRO 79 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1izi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1izi s THR 80 N 0.35 2.88 -0.04 0.52 -1.32 -1.26 -4.88 115.64 111.88 1izi s THR 80 Ca 0.00 0.64 0.31 0.00 -1.21 0.00 0.00 61.69 61.44 1izi s THR 80 Cb 0.00 -3.32 0.36 0.00 -1.51 0.00 0.00 72.50 68.03 1izi s THR 80 CO 0.00 -0.02 1.92 -0.65 -2.21 0.00 0.00 174.62 173.66 1izi h PRO 81 N 1.82 0.00 -2.75 7.08 0.11 -1.98 -3.42 132.00 132.86 1izi h PRO 81 Ca -0.50 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1izi h PRO 81 Cb 1.26 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.15 1izi h PRO 81 CO 0.59 0.00 -0.19 -0.08 -0.21 0.00 0.00 178.00 178.11 1izi s THR 82 N -3.59 0.02 0.10 -1.15 -1.32 -1.26 -5.08 115.64 103.36 1izi s THR 82 Ca 0.02 -0.19 -0.31 0.00 -1.21 0.00 0.00 61.69 60.00 1izi s THR 82 Cb 0.09 -0.65 -0.09 0.00 -1.51 0.00 0.00 72.50 70.34 1izi s THR 82 CO 0.50 -0.10 1.61 0.20 -2.21 0.00 0.00 174.62 174.61 1izi s ASN 83 N -0.55 6.62 -0.03 8.08 0.01 -1.26 -4.75 114.94 123.05 1izi s ASN 83 Ca -0.07 2.50 0.02 0.00 -0.71 0.00 0.00 52.86 54.61 1izi s ASN 83 Cb -0.04 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.06 1izi s ASN 83 CO 0.03 -0.85 -0.07 0.68 -1.51 0.00 0.00 177.10 175.38 1izi s VAL 84 N 2.11 0.69 -0.30 1.60 -7.23 0.48 -1.76 120.40 115.99 1izi s VAL 84 Ca 0.72 -0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.47 1izi s VAL 84 Cb -0.41 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 1izi s VAL 84 CO 0.32 0.23 0.34 -0.63 -0.31 0.00 0.00 175.10 175.05 1izi s ILE 85 N 0.43 5.19 0.56 -0.62 -1.09 0.21 -1.42 121.20 124.47 1izi s ILE 85 Ca -0.06 0.32 0.08 0.00 -2.23 0.00 0.00 60.65 58.76 1izi s ILE 85 Cb -0.10 -3.72 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1izi s ILE 85 CO 0.01 0.08 0.78 0.61 -1.23 0.00 0.00 174.94 175.18 1izi n GLY 86 N 4.84 1.84 0.32 6.18 0.00 -1.09 -1.55 105.19 115.73 1izi n GLY 86 Ca -0.09 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.80 1izi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1izi h ARG 87 N 0.00 0.37 -1.00 1.61 3.08 -0.26 -0.91 114.38 117.28 1izi h ARG 87 Ca -0.26 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 59.97 1izi h ARG 87 Cb 1.18 -0.08 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 1izi h ARG 87 CO 0.36 0.24 0.62 -2.95 -1.07 0.00 0.00 179.97 177.17 1izi h ASN 88 N 0.38 0.70 0.18 7.04 -1.07 -1.65 -1.41 115.58 119.75 1izi h ASN 88 Ca 0.17 0.09 -0.34 0.00 0.07 0.00 0.00 56.30 56.29 1izi h ASN 88 Cb 0.19 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.35 1izi h ASN 88 CO -0.04 0.23 -2.14 0.18 0.07 0.00 0.00 177.43 175.74 1izi n LEU 89 N -4.73 0.45 -0.26 6.14 4.77 -0.60 -4.24 117.00 118.54 1izi n LEU 89 Ca 0.23 0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1izi n LEU 89 Cb 0.63 0.31 0.08 0.00 -2.33 0.00 0.00 43.42 42.11 1izi n LEU 89 CO 0.23 0.48 1.16 -0.07 -1.33 0.00 0.00 177.39 177.85 1izi h LEU 90 N 0.00 0.76 -0.96 2.23 3.38 -0.75 -0.67 115.31 119.30 1izi h LEU 90 Ca -0.45 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.59 1izi h LEU 90 Cb 2.15 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 42.66 1izi h LEU 90 CO 0.05 0.53 0.60 0.71 0.09 0.00 0.00 178.44 180.42 1izi h THR 91 N 0.91 1.03 0.00 0.22 1.35 -1.47 -1.15 112.91 113.79 1izi h THR 91 Ca 0.28 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1izi h THR 91 Cb -0.01 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.28 1izi h THR 91 CO -0.10 0.19 0.00 1.56 -0.25 0.00 0.00 175.52 176.93 1izi h GLN 92 N 1.06 0.00 -0.03 4.72 4.20 -1.31 0.20 115.11 123.96 1izi h GLN 92 Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1izi h GLN 92 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1izi h GLN 92 CO -0.20 0.00 -0.04 0.44 -0.67 0.00 0.00 178.83 178.36 1izi n ILE 93 N -2.56 0.00 -1.95 2.54 -5.35 -0.85 -4.95 119.36 106.23 1izi n ILE 93 Ca 0.02 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1izi n ILE 93 Cb 0.27 1.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 1izi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1izi n GLY 94 N 1.30 0.67 3.74 3.28 0.00 0.71 -5.01 105.19 109.87 1izi n GLY 94 Ca 0.13 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1izi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1izi s THR 96 N 0.12 1.77 0.03 0.00 -4.23 -1.26 -4.70 115.64 107.36 1izi s THR 96 Ca 0.41 -1.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 1izi s THR 96 Cb -0.21 -1.79 -0.06 0.00 1.34 0.00 0.00 72.50 71.79 1izi s THR 96 CO 0.24 -0.30 0.41 -0.76 -0.54 0.00 0.00 174.62 173.68 1izi s LEU 97 N -2.57 4.44 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.41 1izi s LEU 97 Ca 0.14 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1izi s LEU 97 Cb -0.06 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.47 1izi s LEU 97 CO 0.06 0.28 0.02 0.20 0.23 0.00 0.00 176.35 177.14 1izi s ASN 98 N -1.27 0.04 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.58 1izi s ASN 98 Ca 0.26 0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.59 1izi s ASN 98 Cb -0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 1izi s ASN 98 CO 0.15 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.81