#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsu s GLN 2 N 0.00 2.73 -0.28 0.54 0.74 -1.26 -5.10 119.66 117.04 1tsu s GLN 2 Ca 0.00 -1.01 -0.09 0.00 0.05 0.00 0.00 55.36 54.31 1tsu s GLN 2 Cb 0.00 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 1tsu s GLN 2 CO 0.00 -0.34 0.14 0.42 -0.55 0.00 0.00 175.29 174.96 1tsu s ILE 3 N 1.23 4.72 0.54 -2.34 1.01 -1.26 -5.11 121.20 119.99 1tsu s ILE 3 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1tsu s ILE 3 Cb -0.15 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1tsu s ILE 3 CO -0.10 0.22 0.86 0.42 0.00 0.00 0.00 174.94 176.34 1tsu s THR 4 N 1.66 4.37 -0.75 2.92 -4.23 -1.26 -5.03 115.64 113.32 1tsu s THR 4 Ca 0.06 0.20 0.17 0.00 -1.18 0.00 0.00 61.69 60.94 1tsu s THR 4 Cb -0.16 -3.70 0.74 0.00 1.34 0.00 0.00 72.50 70.72 1tsu s THR 4 CO 0.07 -0.73 1.65 0.18 -0.54 0.00 0.00 174.62 175.25 1tsu n LEU 5 N -2.45 5.01 -0.15 4.79 4.77 -1.26 -4.45 117.00 123.27 1tsu n LEU 5 Ca 0.03 -2.65 -0.01 0.00 -0.03 0.00 0.00 56.01 53.35 1tsu n LEU 5 Cb 0.56 -0.61 0.23 0.00 -2.33 0.00 0.00 43.42 41.27 1tsu n LEU 5 CO 0.54 0.74 1.08 -0.50 -1.33 0.00 0.00 177.39 177.91 1tsu h TRP 6 N 3.85 0.86 -1.93 -1.77 4.06 -2.06 -3.44 115.95 115.53 1tsu h TRP 6 Ca 0.00 -0.04 -0.57 0.00 2.06 0.00 0.00 58.89 60.35 1tsu h TRP 6 Cb 1.62 -0.27 -0.09 0.00 -1.00 0.00 0.00 29.16 29.42 1tsu h TRP 6 CO 0.85 0.65 -0.59 0.15 -3.56 0.00 0.00 178.44 175.94 1tsu s LYS 7 N -5.44 2.22 0.18 0.49 1.02 -1.26 -5.09 119.74 111.86 1tsu s LYS 7 Ca -0.10 -1.64 -0.32 0.00 0.02 0.00 0.00 55.97 53.94 1tsu s LYS 7 Cb 0.16 -2.05 -0.11 0.00 -0.52 0.00 0.00 37.83 35.32 1tsu s LYS 7 CO 0.79 0.14 1.60 1.03 -0.92 0.00 0.00 175.35 177.99 1tsu s ARG 8 N -3.77 4.19 -0.84 1.68 0.52 -1.26 -4.84 118.95 114.64 1tsu s ARG 8 Ca 0.36 2.42 -0.08 0.00 -0.52 0.00 0.00 55.73 57.91 1tsu s ARG 8 Cb -0.02 -3.13 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 1tsu s ARG 8 CO 0.21 -0.63 2.02 -0.35 0.02 0.00 0.00 175.30 176.56 1tsu n PRO 9 N 3.84 1.87 -2.80 3.54 -0.04 -1.26 -4.93 135.00 135.22 1tsu n PRO 9 Ca 0.14 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.72 1tsu n PRO 9 Cb 0.38 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1tsu n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tsu s LEU 10 N 0.26 4.28 0.16 1.53 1.43 -1.26 -0.78 118.68 124.30 1tsu s LEU 10 Ca 0.40 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1tsu s LEU 10 Cb 0.10 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 1tsu s LEU 10 CO -0.01 -0.32 0.01 0.68 0.23 0.00 0.00 176.35 176.95 1tsu s VAL 11 N 1.51 0.57 -0.19 -1.59 -7.23 -0.73 -4.97 120.40 107.77 1tsu s VAL 11 Ca 0.45 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.50 1tsu s VAL 11 Cb -0.19 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1tsu s VAL 11 CO 0.20 -0.48 0.38 0.42 -0.31 0.00 0.00 175.10 175.31 1tsu s THR 12 N -3.73 5.22 0.30 5.32 -4.23 -1.26 -0.55 115.64 116.71 1tsu s THR 12 Ca 0.24 0.69 0.09 0.00 -1.18 0.00 0.00 61.69 61.53 1tsu s THR 12 Cb 0.06 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.14 1tsu s THR 12 CO 0.03 0.28 0.02 0.27 -0.54 0.00 0.00 174.62 174.69 1tsu s ILE 13 N 1.09 3.12 -0.08 2.99 -4.36 -0.07 -3.05 121.20 120.84 1tsu s ILE 13 Ca 0.19 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 1tsu s ILE 13 Cb -0.14 -2.84 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1tsu s ILE 13 CO 0.07 -0.29 -0.07 -0.60 0.24 0.00 0.00 174.94 174.29 1tsu s ARG 14 N -3.72 1.29 -0.17 0.37 3.52 -0.12 -1.71 118.95 118.42 1tsu s ARG 14 Ca 0.34 -0.21 -0.00 0.00 -0.13 0.00 0.00 55.73 55.72 1tsu s ARG 14 Cb -0.04 -1.29 0.04 0.00 -1.56 0.00 0.00 34.95 32.10 1tsu s ARG 14 CO 0.20 -0.16 -0.05 0.42 -0.81 0.00 0.00 175.30 174.91 1tsu s ILE 15 N 1.31 1.13 -1.22 4.11 1.01 -0.51 -0.77 121.20 126.26 1tsu s ILE 15 Ca -0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 1tsu s ILE 15 Cb -0.14 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.02 1tsu s ILE 15 CO -0.03 0.10 0.67 0.61 0.00 0.00 0.00 174.94 176.29 1tsu n GLY 16 N 4.86 -0.81 2.39 6.18 0.00 -1.26 -0.19 105.19 116.37 1tsu n GLY 16 Ca -0.12 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 1tsu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsu n GLY 17 N -1.93 -0.36 3.25 -0.02 0.00 -1.26 -4.93 105.19 99.94 1tsu n GLY 17 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1tsu n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tsu s GLN 18 N -4.84 2.72 -0.27 1.61 0.74 0.74 -5.09 119.66 115.27 1tsu s GLN 18 Ca 0.00 -1.09 -0.09 0.00 0.05 0.00 0.00 55.36 54.23 1tsu s GLN 18 Cb 0.00 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 1tsu s GLN 18 CO 0.00 -0.55 0.14 -0.48 -0.55 0.00 0.00 175.29 173.84 1tsu s LEU 19 N 1.37 3.76 0.25 3.68 0.05 -1.26 -1.43 118.68 125.10 1tsu s LEU 19 Ca -0.01 -0.11 0.06 0.00 0.05 0.00 0.00 54.13 54.11 1tsu s LEU 19 Cb -0.18 -2.03 -0.05 0.00 -2.05 0.00 0.00 46.19 41.87 1tsu s LEU 19 CO 0.00 -0.05 -0.06 -0.54 -0.55 0.00 0.00 176.35 175.16 1tsu s LYS 20 N 1.69 1.43 -0.21 1.48 1.02 -0.69 -5.02 119.74 119.44 1tsu s LYS 20 Ca 0.07 -1.71 -0.08 0.00 0.02 0.00 0.00 55.97 54.27 1tsu s LYS 20 Cb -0.16 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1tsu s LYS 20 CO 0.08 0.02 0.09 -1.21 -0.92 0.00 0.00 175.35 173.41 1tsu s GLU 21 N -3.76 3.95 0.04 1.68 2.02 -1.26 -0.90 118.70 120.47 1tsu s GLU 21 Ca 0.27 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.95 1tsu s GLU 21 Cb 0.04 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 1tsu s GLU 21 CO 0.10 0.13 -0.11 0.00 0.02 0.00 0.00 175.26 175.40 1tsu s ALA 22 N 0.79 0.85 -0.15 5.21 0.00 0.29 -4.27 121.76 124.47 1tsu s ALA 22 Ca 0.05 -0.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 1tsu s ALA 22 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1tsu s ALA 22 CO 0.02 0.10 0.93 -1.17 0.00 0.00 0.00 175.76 175.64 1tsu s LEU 23 N -1.33 4.20 -0.54 0.00 2.96 0.19 -1.77 118.68 122.39 1tsu s LEU 23 Ca -0.04 1.35 -0.28 0.00 -0.22 0.00 0.00 54.13 54.95 1tsu s LEU 23 Cb -0.08 -3.41 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1tsu s LEU 23 CO 0.01 -0.45 1.57 -0.76 -1.32 0.00 0.00 176.35 175.40 1tsu s LEU 24 N 2.21 3.38 -0.60 -0.68 1.02 0.04 -0.86 118.68 123.19 1tsu s LEU 24 Ca 0.43 0.42 -0.01 0.00 0.02 0.00 0.00 54.13 54.99 1tsu s LEU 24 Cb -0.17 -2.98 0.15 0.00 0.02 0.00 0.00 46.19 43.21 1tsu s LEU 24 CO 0.14 -1.87 0.39 0.21 0.02 0.00 0.00 176.35 175.24 1tsu s ASN 25 N 5.52 5.01 0.35 2.29 3.04 0.13 -4.78 114.94 126.49 1tsu s ASN 25 Ca 0.59 -2.89 0.26 0.00 0.04 0.00 0.00 52.86 50.86 1tsu s ASN 25 Cb -0.13 -1.80 1.22 0.00 -1.54 0.00 0.00 41.25 39.00 1tsu s ASN 25 CO 0.25 -0.33 1.77 0.71 -3.04 0.00 0.00 177.10 176.46 1tsu h THR 26 N 5.33 0.00 -0.03 -5.21 1.35 -1.93 -0.69 112.91 111.73 1tsu h THR 26 Ca -0.03 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1tsu h THR 26 Cb 0.94 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1tsu h THR 26 CO 0.71 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 1tsu n GLY 27 N -0.62 -0.30 3.33 5.82 0.00 -1.26 -4.83 105.19 107.33 1tsu n GLY 27 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1tsu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsu s ALA 28 N -1.97 2.80 0.37 4.61 0.00 -0.27 -5.00 121.76 122.31 1tsu s ALA 28 Ca 0.39 -1.11 0.19 0.00 0.00 0.00 0.00 51.96 51.43 1tsu s ALA 28 Cb 0.20 -1.64 1.02 0.00 0.00 0.00 0.00 23.12 22.70 1tsu s ALA 28 CO 0.33 -0.31 1.93 -0.44 0.00 0.00 0.00 175.76 177.27 1tsu h ASP 29 N 7.86 0.00 -2.67 0.00 3.32 -1.88 -0.23 116.42 122.83 1tsu h ASP 29 Ca -0.39 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.13 1tsu h ASP 29 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1tsu h ASP 29 CO 0.60 0.25 -0.65 -1.81 -1.72 0.00 0.00 179.24 175.91 1tsu s ASP 30 N -6.62 2.98 -0.16 6.45 1.01 -1.26 -3.12 116.67 115.95 1tsu s ASP 30 Ca -0.03 -1.27 -0.05 0.00 0.71 0.00 0.00 52.55 51.92 1tsu s ASP 30 Cb 0.14 -0.21 -0.03 0.00 1.01 0.00 0.00 42.92 43.83 1tsu s ASP 30 CO 0.67 -0.41 -0.01 -0.89 0.21 0.00 0.00 175.17 174.74 1tsu s THR 31 N -2.98 4.18 -0.07 -1.27 2.01 -1.26 -3.17 115.64 113.07 1tsu s THR 31 Ca 0.32 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1tsu s THR 31 Cb 0.06 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1tsu s THR 31 CO 0.14 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.80 1tsu s VAL 32 N 0.30 0.86 -0.06 3.82 1.01 0.07 -0.20 120.40 126.19 1tsu s VAL 32 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1tsu s VAL 32 Cb -0.13 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1tsu s VAL 32 CO 0.02 0.31 -0.10 -0.76 0.00 0.00 0.00 175.10 174.57 1tsu s LEU 33 N 1.18 2.97 0.60 3.92 1.43 0.30 0.30 118.68 129.39 1tsu s LEU 33 Ca -0.06 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.77 1tsu s LEU 33 Cb -0.14 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1tsu s LEU 33 CO -0.02 0.35 1.11 -0.70 0.23 0.00 0.00 176.35 177.33 1tsu s GLU 34 N -0.78 3.08 -0.07 1.70 2.12 -1.26 -2.21 118.70 121.27 1tsu s GLU 34 Ca 0.12 1.47 -0.07 0.00 0.36 0.00 0.00 54.97 56.85 1tsu s GLU 34 Cb -0.11 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.27 1tsu s GLU 34 CO 0.01 -1.04 0.25 0.39 -0.54 0.00 0.00 175.26 174.33 1tsu n GLU 35 N -1.90 0.00 -3.76 4.30 -0.58 -1.22 -4.84 120.64 112.64 1tsu n GLU 35 Ca 0.11 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.73 1tsu n GLU 35 Cb 0.52 -0.22 -0.08 0.00 -0.57 0.00 0.00 31.44 31.09 1tsu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tsu s MET 36 N 0.52 0.77 -0.49 3.49 0.23 -1.26 -5.10 119.30 117.46 1tsu s MET 36 Ca 0.16 -0.41 -0.19 0.00 -1.03 0.00 0.00 55.69 54.21 1tsu s MET 36 Cb -0.22 0.33 0.05 0.00 -1.53 0.00 0.00 34.83 33.46 1tsu s MET 36 CO 0.12 -0.24 0.63 -0.80 -2.03 0.00 0.00 175.02 172.70 1tsu s ASN 37 N -1.85 6.25 0.10 -1.18 -0.87 -1.26 -5.04 114.94 111.09 1tsu s ASN 37 Ca -0.07 -0.76 0.02 0.00 -1.57 0.00 0.00 52.86 50.48 1tsu s ASN 37 Cb -0.02 -2.30 -0.04 0.00 -0.02 0.00 0.00 41.25 38.87 1tsu s ASN 37 CO -0.01 -0.86 0.19 -0.76 -2.57 0.00 0.00 177.10 173.09 1tsu s LEU 38 N 2.69 4.18 0.58 0.60 1.43 -1.26 -5.11 118.68 121.79 1tsu s LEU 38 Ca 0.17 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1tsu s LEU 38 Cb -0.18 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1tsu s LEU 38 CO 0.14 0.13 0.84 -2.16 0.23 0.00 0.00 176.35 175.53 1tsu s PRO 39 N -2.71 2.64 0.00 1.29 0.04 -1.26 -5.03 135.00 129.97 1tsu s PRO 39 Ca 0.33 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1tsu s PRO 39 Cb -0.12 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1tsu s PRO 39 CO 0.26 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1tsu n GLY 40 N -2.48 0.11 3.72 0.56 0.00 -1.26 -4.93 105.19 100.91 1tsu n GLY 40 Ca 0.06 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1tsu n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsu s LYS 41 N -1.75 4.32 -0.09 1.61 0.00 -1.26 -5.03 119.74 117.53 1tsu s LYS 41 Ca 0.00 2.12 0.02 0.00 0.00 0.00 0.00 55.97 58.11 1tsu s LYS 41 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 37.83 34.63 1tsu s LYS 41 CO 0.00 -0.41 -0.14 1.67 0.00 0.00 0.00 175.35 176.47 1tsu s TRP 42 N 0.77 1.77 -0.08 1.78 1.48 -1.26 -4.41 118.94 118.98 1tsu s TRP 42 Ca 0.63 -0.78 -0.01 0.00 -1.06 0.00 0.00 56.10 54.88 1tsu s TRP 42 Cb -0.38 -1.30 -0.03 0.00 -1.16 0.00 0.00 33.47 30.60 1tsu s TRP 42 CO 0.33 -0.41 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.20 1tsu s LYS 43 N 0.94 2.88 0.30 3.25 -2.85 -0.91 -4.85 119.74 118.51 1tsu s LYS 43 Ca -0.08 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.13 1tsu s LYS 43 Cb -0.15 -2.71 -0.10 0.00 -2.06 0.00 0.00 37.83 32.81 1tsu s LYS 43 CO -0.00 0.69 1.35 -2.14 0.10 0.00 0.00 175.35 175.35 1tsu s PRO 44 N -0.87 4.32 0.05 1.78 0.02 -1.26 0.17 135.00 139.21 1tsu s PRO 44 Ca 0.13 2.24 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 1tsu s PRO 44 Cb -0.11 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1tsu s PRO 44 CO 0.02 -0.28 0.19 0.21 -0.33 0.00 0.00 177.00 176.82 1tsu s LYS 45 N -1.24 0.73 -0.08 5.54 2.20 -0.67 -4.89 119.74 121.33 1tsu s LYS 45 Ca 0.53 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1tsu s LYS 45 Cb -0.40 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.20 1tsu s LYS 45 CO 0.49 -0.21 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.47 1tsu s MET 46 N -2.88 2.86 -0.02 4.03 -1.94 -1.26 -1.82 119.30 118.28 1tsu s MET 46 Ca -0.03 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.26 1tsu s MET 46 Cb 0.00 -2.45 -0.00 0.00 2.01 0.00 0.00 34.83 34.39 1tsu s MET 46 CO -0.06 0.42 -0.10 0.96 -0.01 0.00 0.00 175.02 176.24 1tsu s ILE 47 N -0.22 0.85 0.32 2.53 -4.36 -0.96 -4.97 121.20 114.39 1tsu s ILE 47 Ca 0.00 -0.43 0.10 0.00 -0.26 0.00 0.00 60.65 60.06 1tsu s ILE 47 Cb -0.13 -0.73 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 1tsu s ILE 47 CO 0.03 0.25 -0.02 -0.83 0.24 0.00 0.00 174.94 174.61 1tsu s GLY 48 N -0.05 1.96 0.00 6.27 0.00 -1.26 -0.97 107.32 113.27 1tsu s GLY 48 Ca 0.01 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1tsu s GLY 48 CO 0.00 -1.87 0.00 0.61 0.00 0.00 0.00 173.10 171.84 1tsu n GLY 49 N -0.89 3.90 3.68 0.20 0.00 -0.70 -5.01 105.19 106.36 1tsu n GLY 49 Ca -0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1tsu n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tsu s ILE 50 N -1.30 2.78 0.00 -0.61 -1.09 -1.26 -2.78 121.20 116.94 1tsu s ILE 50 Ca 0.00 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1tsu s ILE 50 Cb 0.00 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1tsu s ILE 50 CO 0.00 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 1tsu n GLY 51 N 4.35 2.69 0.00 6.18 0.00 -1.26 -4.98 105.19 112.18 1tsu n GLY 51 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1tsu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsu n GLY 52 N -0.46 0.49 3.62 -0.02 0.00 -1.12 -5.13 105.19 102.57 1tsu n GLY 52 Ca 0.00 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1tsu n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tsu s PHE 53 N -2.34 2.80 0.12 1.61 0.40 -1.26 -1.73 117.98 117.59 1tsu s PHE 53 Ca 0.00 -0.13 0.10 0.00 -0.60 0.00 0.00 56.93 56.30 1tsu s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 1tsu s PHE 53 CO 0.00 0.46 -0.24 0.96 0.70 0.00 0.00 175.22 177.10 1tsu s ILE 54 N -1.36 2.01 -0.02 0.64 -4.36 -0.14 -4.96 121.20 113.02 1tsu s ILE 54 Ca 0.24 -1.69 -0.22 0.00 -0.26 0.00 0.00 60.65 58.72 1tsu s ILE 54 Cb -0.11 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 1tsu s ILE 54 CO 0.16 -0.00 0.65 -0.75 0.24 0.00 0.00 174.94 175.23 1tsu s LYS 55 N -2.06 4.39 0.22 0.37 2.20 -1.26 -2.27 119.74 121.32 1tsu s LYS 55 Ca 0.11 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1tsu s LYS 55 Cb -0.10 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1tsu s LYS 55 CO 0.05 0.26 0.09 0.14 -0.36 0.00 0.00 175.35 175.54 1tsu s VAL 56 N 0.13 0.35 -0.12 4.02 -7.23 -0.75 -4.43 120.40 112.38 1tsu s VAL 56 Ca 0.34 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1tsu s VAL 56 Cb -0.18 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1tsu s VAL 56 CO 0.18 -0.09 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.71 1tsu s ARG 57 N -4.06 3.28 -0.24 4.82 0.52 0.37 -1.68 118.95 121.95 1tsu s ARG 57 Ca 0.36 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 54.93 1tsu s ARG 57 Cb 0.07 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 1tsu s ARG 57 CO 0.11 0.43 0.22 -1.14 0.02 0.00 0.00 175.30 174.94 1tsu s GLN 58 N -0.17 4.06 -0.15 3.54 0.74 0.13 -0.72 119.66 127.08 1tsu s GLN 58 Ca 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.24 1tsu s GLN 58 Cb -0.13 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.40 1tsu s GLN 58 CO 0.03 -0.03 -0.10 0.71 -0.55 0.00 0.00 175.29 175.34 1tsu s TYR 59 N 1.31 2.87 0.47 1.67 1.51 -0.30 -2.14 117.35 122.74 1tsu s TYR 59 Ca 0.10 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1tsu s TYR 59 Cb -0.14 -1.91 -0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1tsu s TYR 59 CO 0.07 -0.28 0.72 -0.51 -1.11 0.00 0.00 175.55 174.43 1tsu s ASP 60 N 0.62 5.83 -0.91 2.29 1.01 -1.26 -0.23 116.67 124.02 1tsu s ASP 60 Ca -0.06 0.41 -0.21 0.00 0.71 0.00 0.00 52.55 53.40 1tsu s ASP 60 Cb -0.15 -1.63 0.03 0.00 1.01 0.00 0.00 42.92 42.18 1tsu s ASP 60 CO 0.03 -0.74 0.40 0.00 0.21 0.00 0.00 175.17 175.06 1tsu n GLN 61 N -2.17 -0.53 -3.73 8.23 1.13 -1.18 -4.89 117.38 114.24 1tsu n GLN 61 Ca 0.02 -0.08 -0.37 0.00 -1.94 0.00 0.00 57.00 54.62 1tsu n GLN 61 Cb 0.57 -1.65 -0.12 0.00 0.11 0.00 0.00 30.24 29.15 1tsu n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1tsu s ILE 62 N -3.96 4.47 0.04 5.09 -1.09 -0.56 -4.85 121.20 120.35 1tsu s ILE 62 Ca 0.29 -0.12 -0.31 0.00 -2.23 0.00 0.00 60.65 58.29 1tsu s ILE 62 Cb -0.16 -3.10 -0.06 0.00 -1.58 0.00 0.00 42.46 37.56 1tsu s ILE 62 CO 0.70 0.32 1.32 -2.84 -1.23 0.00 0.00 174.94 173.21 1tsu s PRO 63 N 1.64 4.34 -0.14 2.79 0.02 -1.26 -2.71 135.00 139.68 1tsu s PRO 63 Ca 0.06 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 62.99 1tsu s PRO 63 Cb -0.15 -3.42 0.03 0.00 0.02 0.00 0.00 34.50 30.98 1tsu s PRO 63 CO 0.05 -0.43 -0.07 0.08 -0.33 0.00 0.00 177.00 176.29 1tsu s VAL 64 N 1.64 1.15 -0.53 3.83 1.01 1.12 -4.57 120.40 124.04 1tsu s VAL 64 Ca 0.62 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1tsu s VAL 64 Cb -0.32 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 34.90 1tsu s VAL 64 CO 0.28 0.27 0.75 -0.70 0.00 0.00 0.00 175.10 175.70 1tsu s GLU 65 N 1.64 3.19 -0.45 2.72 2.12 0.05 0.65 118.70 128.62 1tsu s GLU 65 Ca 0.03 -0.71 -0.13 0.00 0.36 0.00 0.00 54.97 54.52 1tsu s GLU 65 Cb -0.14 -4.10 0.07 0.00 0.26 0.00 0.00 34.13 30.22 1tsu s GLU 65 CO -0.08 -1.36 0.35 0.42 -0.54 0.00 0.00 175.26 174.05 1tsu s ILE 66 N 3.15 4.92 -1.36 -3.70 1.01 -0.30 -0.94 121.20 123.97 1tsu s ILE 66 Ca 0.20 -1.15 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 1tsu s ILE 66 Cb -0.17 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 1tsu s ILE 66 CO 0.14 -0.54 0.50 0.00 0.00 0.00 0.00 174.94 175.04 1tsu n GLY 68 N -1.88 2.71 3.72 0.00 0.00 -1.26 -5.03 105.19 103.45 1tsu n GLY 68 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1tsu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tsu s HIS 69 N -2.14 3.47 -0.43 1.61 4.02 -0.90 -5.05 115.29 115.87 1tsu s HIS 69 Ca 0.00 0.68 -0.27 0.00 1.02 0.00 0.00 55.06 56.49 1tsu s HIS 69 Cb 0.00 -2.42 0.02 0.00 -1.02 0.00 0.00 32.58 29.17 1tsu s HIS 69 CO 0.00 0.19 1.01 -1.59 1.02 0.00 0.00 174.74 175.37 1tsu s LYS 70 N 0.59 3.74 -0.07 1.40 0.00 -1.26 -1.16 119.74 122.99 1tsu s LYS 70 Ca 0.19 0.50 0.02 0.00 0.00 0.00 0.00 55.97 56.69 1tsu s LYS 70 Cb -0.14 -3.87 -0.03 0.00 0.00 0.00 0.00 37.83 33.80 1tsu s LYS 70 CO 0.06 -1.16 -0.12 0.00 0.00 0.00 0.00 175.35 174.13 1tsu s ALA 71 N 3.89 2.76 -0.18 0.59 0.00 0.21 -4.87 121.76 124.16 1tsu s ALA 71 Ca 0.42 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1tsu s ALA 71 Cb -0.10 -1.08 0.07 0.00 0.00 0.00 0.00 23.12 22.01 1tsu s ALA 71 CO 0.25 0.52 0.15 -1.50 0.00 0.00 0.00 175.76 175.18 1tsu s ILE 72 N -0.63 -0.19 0.00 0.00 1.10 -1.26 0.36 121.20 120.58 1tsu s ILE 72 Ca 0.09 -0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.09 1tsu s ILE 72 Cb -0.11 -0.61 0.00 0.00 0.15 0.00 0.00 42.46 41.88 1tsu s ILE 72 CO 0.01 -0.25 0.00 0.61 -2.11 0.00 0.00 174.94 173.21 1tsu n GLY 73 N 5.30 2.00 3.72 1.50 0.00 -1.10 -4.86 105.19 111.75 1tsu n GLY 73 Ca -0.06 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1tsu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsu s THR 74 N -1.62 4.13 -0.09 2.61 2.01 -1.26 -1.49 115.64 119.92 1tsu s THR 74 Ca 0.00 1.57 0.02 0.00 0.31 0.00 0.00 61.69 63.59 1tsu s THR 74 Cb 0.00 -4.01 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1tsu s THR 74 CO 0.00 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.23 1tsu s VAL 75 N 0.85 1.44 -0.11 3.82 1.01 0.68 -4.51 120.40 123.58 1tsu s VAL 75 Ca 0.56 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1tsu s VAL 75 Cb -0.28 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1tsu s VAL 75 CO 0.30 0.43 0.10 -0.76 0.00 0.00 0.00 175.10 175.17 1tsu s LEU 76 N 0.76 4.16 -0.15 3.92 1.43 0.71 -1.15 118.68 128.37 1tsu s LEU 76 Ca -0.12 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1tsu s LEU 76 Cb -0.16 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1tsu s LEU 76 CO 0.02 0.39 -0.20 -0.69 0.23 0.00 0.00 176.35 176.11 1tsu s VAL 77 N -0.94 2.20 0.04 -1.59 1.01 0.10 -0.54 120.40 120.68 1tsu s VAL 77 Ca 0.14 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1tsu s VAL 77 Cb -0.12 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.39 1tsu s VAL 77 CO 0.03 0.54 0.41 0.61 0.00 0.00 0.00 175.10 176.69 1tsu n GLY 78 N 4.22 0.84 2.45 4.51 0.00 -0.94 -0.48 105.19 115.79 1tsu n GLY 78 Ca -0.20 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1tsu n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tsu n PRO 79 N -0.29 3.33 -3.24 1.61 -0.04 -1.26 -3.44 135.00 131.67 1tsu n PRO 79 Ca 0.00 -2.22 -0.39 0.00 -0.04 0.00 0.00 63.50 60.85 1tsu n PRO 79 Cb 0.21 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 1tsu n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tsu s THR 80 N 2.57 5.12 0.50 0.52 -1.32 -1.26 -4.99 115.64 116.79 1tsu s THR 80 Ca 0.62 1.04 0.29 0.00 -1.21 0.00 0.00 61.69 62.43 1tsu s THR 80 Cb 0.16 -3.87 0.48 0.00 -1.51 0.00 0.00 72.50 67.76 1tsu s THR 80 CO -0.06 0.24 1.84 1.55 -2.21 0.00 0.00 174.62 175.98 1tsu h PRO 81 N 7.08 0.11 -4.08 7.08 0.13 -1.99 -3.41 132.00 136.92 1tsu h PRO 81 Ca -0.37 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.52 1tsu h PRO 81 Cb 1.17 -0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.03 1tsu h PRO 81 CO 0.75 0.07 -0.72 0.08 -0.23 0.00 0.00 178.00 177.95 1tsu s VAL 82 N -5.10 0.21 0.07 1.56 1.01 -1.26 -5.08 120.40 111.81 1tsu s VAL 82 Ca -0.06 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.00 1tsu s VAL 82 Cb 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 36.38 36.27 1tsu s VAL 82 CO 0.79 -0.26 1.23 0.20 0.00 0.00 0.00 175.10 177.06 1tsu s ASN 83 N -0.92 7.03 -0.17 3.32 0.01 -1.26 -4.70 114.94 118.25 1tsu s ASN 83 Ca -0.08 2.08 0.00 0.00 -0.71 0.00 0.00 52.86 54.15 1tsu s ASN 83 Cb -0.06 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.02 1tsu s ASN 83 CO -0.00 -0.50 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.30 1tsu s ILE 84 N 1.05 2.53 -0.39 0.60 1.01 0.15 0.57 121.20 126.72 1tsu s ILE 84 Ca 0.60 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 1tsu s ILE 84 Cb -0.31 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1tsu s ILE 84 CO 0.29 0.51 0.39 -0.63 0.00 0.00 0.00 174.94 175.51 1tsu s ILE 85 N 1.04 5.14 0.71 2.92 -1.09 -0.04 -0.75 121.20 129.12 1tsu s ILE 85 Ca -0.01 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.18 1tsu s ILE 85 Cb -0.15 -3.94 0.10 0.00 -1.58 0.00 0.00 42.46 36.90 1tsu s ILE 85 CO -0.04 -0.27 0.99 -0.83 -1.23 0.00 0.00 174.94 173.55 1tsu s GLY 86 N 1.77 1.76 0.48 6.18 0.00 -1.19 -0.70 107.32 115.62 1tsu s GLY 86 Ca 0.11 -1.45 0.26 0.00 0.00 0.00 0.00 44.72 43.65 1tsu s GLY 86 CO 0.12 -0.94 1.85 3.21 0.00 0.00 0.00 173.10 177.34 1tsu h ARG 87 N -0.53 0.18 -0.19 2.90 3.08 -1.16 0.43 114.38 119.09 1tsu h ARG 87 Ca -0.40 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.66 1tsu h ARG 87 Cb 1.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1tsu h ARG 87 CO 0.46 0.12 0.04 -2.95 -1.07 0.00 0.00 179.97 176.57 1tsu h ASN 88 N 0.18 0.02 0.49 7.04 -1.07 -1.81 -0.46 115.58 119.98 1tsu h ASN 88 Ca 0.49 0.03 -0.30 0.00 0.07 0.00 0.00 56.30 56.59 1tsu h ASN 88 Cb 1.60 0.03 0.01 0.00 -2.07 0.00 0.00 38.32 37.90 1tsu h ASN 88 CO -0.11 0.04 -1.36 -0.07 0.07 0.00 0.00 177.43 176.00 1tsu h LEU 89 N 0.12 0.56 -0.56 6.14 3.38 -1.80 -3.35 115.31 119.81 1tsu h LEU 89 Ca 0.08 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.51 1tsu h LEU 89 Cb 0.07 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1tsu h LEU 89 CO -0.11 1.49 0.21 -0.07 0.09 0.00 0.00 178.44 180.05 1tsu h LEU 90 N 0.10 0.23 -1.43 1.67 3.38 -0.82 -1.66 115.31 116.78 1tsu h LEU 90 Ca -0.19 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1tsu h LEU 90 Cb 2.05 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 1tsu h LEU 90 CO 0.22 0.15 0.08 0.71 0.09 0.00 0.00 178.44 179.69 1tsu h THR 91 N 0.40 1.15 -0.04 0.22 1.35 -1.20 -2.32 112.91 112.47 1tsu h THR 91 Ca 0.27 -0.53 -0.11 0.00 -0.55 0.00 0.00 66.41 65.49 1tsu h THR 91 Cb 0.30 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1tsu h THR 91 CO -0.27 0.19 -0.49 1.56 -0.25 0.00 0.00 175.52 176.27 1tsu h GLN 92 N 0.45 0.09 -0.08 4.72 4.20 -1.44 -3.03 115.11 120.02 1tsu h GLN 92 Ca 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1tsu h GLN 92 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1tsu h GLN 92 CO -0.00 0.56 0.00 0.44 -0.67 0.00 0.00 178.83 179.16 1tsu n ILE 93 N -3.96 0.10 -1.63 2.54 -5.35 -1.02 -4.93 119.36 105.11 1tsu n ILE 93 Ca -0.02 -0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 1tsu n ILE 93 Cb 0.52 0.25 -0.00 0.00 -1.74 0.00 0.00 39.64 38.66 1tsu n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tsu n GLY 94 N 1.09 0.38 3.72 3.28 0.00 -1.14 -5.05 105.19 107.47 1tsu n GLY 94 Ca 0.17 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1tsu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsu s THR 96 N 0.62 1.21 -0.12 0.00 -4.23 -1.26 -4.71 115.64 107.14 1tsu s THR 96 Ca 0.50 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1tsu s THR 96 Cb -0.22 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1tsu s THR 96 CO 0.28 -0.35 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.23 1tsu s LEU 97 N -3.33 3.36 -0.06 4.79 1.43 -1.26 -5.10 118.68 118.52 1tsu s LEU 97 Ca 0.28 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1tsu s LEU 97 Cb 0.05 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1tsu s LEU 97 CO 0.09 0.26 -0.06 0.20 0.23 0.00 0.00 176.35 177.06 1tsu s ASN 98 N -0.15 1.37 0.00 2.29 -0.87 -1.26 -5.31 114.94 111.01 1tsu s ASN 98 Ca 0.04 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 1tsu s ASN 98 Cb -0.13 -0.59 0.00 0.00 -0.02 0.00 0.00 41.25 40.52 1tsu s ASN 98 CO 0.02 -0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.71