#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pro s GLN 2 N 0.00 3.79 -0.19 0.54 0.74 -1.26 -5.09 119.66 118.18 1pro s GLN 2 Ca 0.00 -0.39 -0.00 0.00 0.05 0.00 0.00 55.36 55.02 1pro s GLN 2 Cb 0.00 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1pro s GLN 2 CO 0.00 0.33 -0.15 0.42 -0.55 0.00 0.00 175.29 175.34 1pro s ILE 3 N 0.19 2.51 0.57 -2.34 1.01 -1.26 -5.12 121.20 116.77 1pro s ILE 3 Ca 0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1pro s ILE 3 Cb -0.13 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1pro s ILE 3 CO 0.01 0.50 0.85 0.42 0.00 0.00 0.00 174.94 176.72 1pro s THR 4 N 1.28 3.25 -0.24 2.92 -4.23 -1.26 -5.02 115.64 112.34 1pro s THR 4 Ca 0.04 -0.30 0.12 0.00 -1.18 0.00 0.00 61.69 60.37 1pro s THR 4 Cb -0.14 -3.28 0.50 0.00 1.34 0.00 0.00 72.50 70.93 1pro s THR 4 CO -0.08 -0.25 1.43 0.18 -0.54 0.00 0.00 174.62 175.36 1pro n LEU 5 N -2.49 3.94 0.22 4.79 4.77 -1.26 -4.48 117.00 122.49 1pro n LEU 5 Ca 0.05 -3.46 0.08 0.00 -0.03 0.00 0.00 56.01 52.65 1pro n LEU 5 Cb 0.59 -0.59 0.49 0.00 -2.33 0.00 0.00 43.42 41.57 1pro n LEU 5 CO 0.50 1.01 0.81 -0.50 -1.33 0.00 0.00 177.39 177.88 1pro h TRP 6 N 1.21 0.00 -2.25 -1.77 4.06 -2.06 -3.43 115.95 111.72 1pro h TRP 6 Ca 0.13 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.53 1pro h TRP 6 Cb 1.55 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.57 1pro h TRP 6 CO 0.78 0.27 -0.63 -0.65 -3.56 0.00 0.00 178.44 174.65 1pro s GLN 7 N -3.96 1.77 0.23 0.49 -1.52 -1.26 -5.10 119.66 110.31 1pro s GLN 7 Ca -0.02 -1.97 -0.32 0.00 -1.95 0.00 0.00 55.36 51.11 1pro s GLN 7 Cb 0.12 -1.32 -0.13 0.00 -0.22 0.00 0.00 33.01 31.46 1pro s GLN 7 CO 0.66 -0.05 1.43 0.54 -0.25 0.00 0.00 175.29 177.62 1pro n ARG 8 N -0.79 2.05 -2.42 2.91 1.74 -1.26 -4.89 116.66 114.00 1pro n ARG 8 Ca -0.04 0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 57.39 1pro n ARG 8 Cb 0.66 -2.40 -0.02 0.00 -1.02 0.00 0.00 32.46 29.67 1pro n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1pro s PRO 9 N -0.24 3.49 -0.10 5.56 0.04 -1.26 -4.96 135.00 137.54 1pro s PRO 9 Ca 0.70 -1.64 -0.06 0.00 0.04 0.00 0.00 61.00 60.04 1pro s PRO 9 Cb -0.65 -5.43 -0.04 0.00 0.04 0.00 0.00 34.50 28.42 1pro s PRO 9 CO 0.48 -2.77 0.14 -0.51 0.04 0.00 0.00 177.00 174.38 1pro s LEU 10 N 6.37 4.37 0.07 -3.56 1.43 -1.26 -0.73 118.68 125.36 1pro s LEU 10 Ca 0.58 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1pro s LEU 10 Cb 0.02 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1pro s LEU 10 CO 0.08 0.38 -0.08 0.54 0.23 0.00 0.00 176.35 177.50 1pro s VAL 11 N -1.08 0.64 0.10 -1.59 0.11 -0.10 -4.93 120.40 113.54 1pro s VAL 11 Ca 0.17 -1.45 -0.25 0.00 -2.93 0.00 0.00 61.98 57.52 1pro s VAL 11 Cb -0.12 -1.08 -0.07 0.00 -1.53 0.00 0.00 36.38 33.58 1pro s VAL 11 CO 0.06 -0.58 0.76 0.42 -3.33 0.00 0.00 175.10 172.43 1pro s THR 12 N -2.31 4.57 0.14 5.04 -4.23 -1.26 -1.10 115.64 116.50 1pro s THR 12 Ca -0.00 1.64 0.08 0.00 -1.18 0.00 0.00 61.69 62.23 1pro s THR 12 Cb -0.04 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 1pro s THR 12 CO -0.02 0.45 -0.18 0.27 -0.54 0.00 0.00 174.62 174.60 1pro s ILE 13 N -0.60 1.74 -0.13 2.99 -4.36 0.11 -1.49 121.20 119.46 1pro s ILE 13 Ca 0.37 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 1pro s ILE 13 Cb -0.22 -1.73 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1pro s ILE 13 CO 0.24 -0.26 -0.17 -0.75 0.24 0.00 0.00 174.94 174.24 1pro s LYS 14 N -2.55 2.50 -0.06 0.37 2.20 -0.39 -1.34 119.74 120.48 1pro s LYS 14 Ca 0.12 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1pro s LYS 14 Cb -0.07 -2.15 0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1pro s LYS 14 CO 0.06 -0.12 0.12 0.42 -0.36 0.00 0.00 175.35 175.47 1pro s ILE 15 N 1.13 -0.05 -1.51 5.43 1.09 -0.62 -1.13 121.20 125.54 1pro s ILE 15 Ca -0.02 0.18 -0.06 0.00 -1.10 0.00 0.00 60.65 59.65 1pro s ILE 15 Cb -0.14 -0.21 0.02 0.00 -1.06 0.00 0.00 42.46 41.06 1pro s ILE 15 CO -0.06 0.07 0.66 0.61 -0.10 0.00 0.00 174.94 176.12 1pro n GLY 16 N 4.16 -0.52 2.93 6.18 0.00 -1.26 -1.25 105.19 115.42 1pro n GLY 16 Ca -0.26 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1pro n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pro n GLY 17 N -1.54 0.62 3.55 -0.02 0.00 -1.26 -5.01 105.19 101.55 1pro n GLY 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1pro n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pro s GLN 18 N -0.34 2.35 -0.19 1.61 -0.21 -0.38 -5.12 119.66 117.37 1pro s GLN 18 Ca 0.00 -0.85 -0.09 0.00 0.02 0.00 0.00 55.36 54.44 1pro s GLN 18 Cb 0.00 -2.38 -0.05 0.00 1.00 0.00 0.00 33.01 31.58 1pro s GLN 18 CO 0.00 0.57 0.12 -0.51 -2.12 0.00 0.00 175.29 173.35 1pro s LEU 19 N -1.57 4.18 0.09 2.90 1.02 -1.26 -1.59 118.68 122.45 1pro s LEU 19 Ca 0.17 0.24 -0.01 0.00 0.02 0.00 0.00 54.13 54.55 1pro s LEU 19 Cb -0.11 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 1pro s LEU 19 CO 0.08 0.20 0.02 -0.54 0.02 0.00 0.00 176.35 176.14 1pro s LYS 20 N 0.21 0.77 -0.02 1.70 1.02 -0.45 -5.00 119.74 117.98 1pro s LYS 20 Ca 0.08 -1.32 0.02 0.00 0.02 0.00 0.00 55.97 54.77 1pro s LYS 20 Cb -0.11 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.39 1pro s LYS 20 CO -0.01 -0.19 -0.04 -1.21 -0.92 0.00 0.00 175.35 172.98 1pro s GLU 21 N -3.98 2.70 0.01 1.68 2.02 -1.26 -0.71 118.70 119.15 1pro s GLU 21 Ca 0.15 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.45 1pro s GLU 21 Cb 0.08 -2.60 -0.00 0.00 0.10 0.00 0.00 34.13 31.71 1pro s GLU 21 CO -0.04 0.63 0.11 0.00 0.02 0.00 0.00 175.26 175.97 1pro s ALA 22 N -0.99 -0.25 0.02 5.21 0.00 -0.26 -4.57 121.76 120.92 1pro s ALA 22 Ca 0.17 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 1pro s ALA 22 Cb -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1pro s ALA 22 CO 0.07 -0.20 0.96 -0.51 0.00 0.00 0.00 175.76 176.08 1pro s LEU 23 N -1.40 4.39 -0.39 0.00 1.43 0.15 -0.93 118.68 121.94 1pro s LEU 23 Ca -0.15 1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 54.32 1pro s LEU 23 Cb -0.08 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1pro s LEU 23 CO 0.01 -0.21 1.04 -0.76 0.23 0.00 0.00 176.35 176.66 1pro s LEU 24 N 0.80 3.87 -0.34 1.79 1.02 0.09 -0.55 118.68 125.36 1pro s LEU 24 Ca 0.50 0.68 0.03 0.00 0.02 0.00 0.00 54.13 55.36 1pro s LEU 24 Cb -0.21 -3.44 0.10 0.00 0.02 0.00 0.00 46.19 42.66 1pro s LEU 24 CO 0.28 -0.99 0.07 -0.62 0.02 0.00 0.00 176.35 175.10 1pro s ASP 25 N 1.99 4.60 0.48 2.29 -1.08 -0.62 -4.77 116.67 119.57 1pro s ASP 25 Ca 0.43 -2.08 0.32 0.00 -0.52 0.00 0.00 52.55 50.71 1pro s ASP 25 Cb -0.10 -1.47 1.36 0.00 -1.46 0.00 0.00 42.92 41.25 1pro s ASP 25 CO 0.22 -0.38 1.94 0.71 0.52 0.00 0.00 175.17 178.18 1pro h THR 26 N 6.55 0.00 -0.00 1.71 1.35 -1.94 -2.53 112.91 118.05 1pro h THR 26 Ca -0.06 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1pro h THR 26 Cb 1.01 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1pro h THR 26 CO 0.51 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.36 1pro n GLY 27 N -0.10 -1.46 3.65 5.82 0.00 -1.26 -4.80 105.19 107.04 1pro n GLY 27 Ca 0.01 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1pro n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pro s ALA 28 N -2.95 3.60 0.22 4.61 0.00 -0.95 -4.96 121.76 121.32 1pro s ALA 28 Ca 0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 1pro s ALA 28 Cb 0.19 -2.36 0.20 0.00 0.00 0.00 0.00 23.12 21.15 1pro s ALA 28 CO 0.53 -0.25 1.59 -0.44 0.00 0.00 0.00 175.76 177.19 1pro h ASP 29 N 7.63 0.64 -1.88 0.00 3.32 -1.87 0.93 116.42 125.18 1pro h ASP 29 Ca -0.37 -0.28 -0.53 0.00 0.02 0.00 0.00 57.03 55.86 1pro h ASP 29 Cb 1.17 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1pro h ASP 29 CO 0.64 0.96 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.79 1pro s ASP 30 N -6.84 4.81 -0.20 6.45 1.01 -1.26 -2.46 116.67 118.17 1pro s ASP 30 Ca -0.08 -0.71 -0.11 0.00 0.71 0.00 0.00 52.55 52.36 1pro s ASP 30 Cb 0.12 -0.79 -0.05 0.00 1.01 0.00 0.00 42.92 43.22 1pro s ASP 30 CO 0.83 -0.30 0.18 -0.89 0.21 0.00 0.00 175.17 175.20 1pro s THR 31 N -2.40 5.37 -0.03 -1.27 2.01 -1.26 -2.96 115.64 115.11 1pro s THR 31 Ca 0.38 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1pro s THR 31 Cb -0.03 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.99 1pro s THR 31 CO 0.23 0.40 0.01 0.54 -0.69 0.00 0.00 174.62 175.12 1pro s VAL 32 N 0.58 0.10 0.16 3.82 0.11 -0.64 -1.48 120.40 123.05 1pro s VAL 32 Ca 0.10 0.13 0.11 0.00 -2.93 0.00 0.00 61.98 59.39 1pro s VAL 32 Cb -0.12 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1pro s VAL 32 CO 0.01 0.13 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.90 1pro s LEU 33 N 1.07 2.38 0.96 2.54 1.43 0.06 -0.67 118.68 126.45 1pro s LEU 33 Ca -0.09 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 1pro s LEU 33 Cb -0.13 -1.16 0.17 0.00 0.03 0.00 0.00 46.19 45.09 1pro s LEU 33 CO -0.02 0.14 1.09 -1.83 0.23 0.00 0.00 176.35 175.96 1pro s GLU 34 N -2.36 0.72 0.11 1.70 -1.05 -1.26 -1.04 118.70 115.53 1pro s GLU 34 Ca 0.17 0.68 -0.34 0.00 -0.15 0.00 0.00 54.97 55.32 1pro s GLU 34 Cb -0.09 -1.76 -0.14 0.00 -0.44 0.00 0.00 34.13 31.70 1pro s GLU 34 CO 0.08 -2.57 1.58 -1.91 0.95 0.00 0.00 175.26 173.38 1pro n GLU 35 N -4.09 1.98 -3.53 -4.83 4.07 -1.20 -4.47 120.64 108.57 1pro n GLU 35 Ca 0.06 0.71 -0.11 0.00 -0.06 0.00 0.00 57.16 57.76 1pro n GLU 35 Cb 0.56 -2.47 -0.03 0.00 -0.06 0.00 0.00 31.44 29.44 1pro n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pro s MET 36 N 1.24 1.18 -0.63 5.31 0.23 -1.26 -5.03 119.30 120.33 1pro s MET 36 Ca 0.82 -0.59 -0.27 0.00 -1.03 0.00 0.00 55.69 54.61 1pro s MET 36 Cb -0.73 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.09 1pro s MET 36 CO 0.41 -0.49 1.72 1.21 -2.03 0.00 0.00 175.02 175.84 1pro s ASN 37 N -2.78 5.50 -0.04 -1.18 2.47 -1.26 -4.97 114.94 112.68 1pro s ASN 37 Ca 0.02 0.18 0.02 0.00 0.42 0.00 0.00 52.86 53.50 1pro s ASN 37 Cb 0.00 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.28 1pro s ASN 37 CO -0.12 -2.23 -0.07 -0.22 -3.72 0.00 0.00 177.10 170.73 1pro s LEU 38 N 8.24 1.59 0.15 3.21 2.96 -1.26 -4.94 118.68 128.63 1pro s LEU 38 Ca 0.60 -0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 54.07 1pro s LEU 38 Cb -0.12 -0.52 -0.07 0.00 0.50 0.00 0.00 46.19 45.98 1pro s LEU 38 CO 0.20 0.01 0.83 -2.16 -1.32 0.00 0.00 176.35 173.91 1pro s PRO 39 N 0.53 4.63 0.00 0.98 0.04 -1.26 -4.95 135.00 134.97 1pro s PRO 39 Ca -0.08 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1pro s PRO 39 Cb -0.12 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1pro s PRO 39 CO 0.01 0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1pro n GLY 40 N 1.85 -1.53 3.85 0.56 0.00 -1.26 -5.02 105.19 103.63 1pro n GLY 40 Ca -0.03 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 1pro n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pro s ARG 41 N 0.00 3.91 0.06 1.61 1.81 -1.26 -5.08 118.95 120.00 1pro s ARG 41 Ca 0.00 0.92 -0.17 0.00 -1.72 0.00 0.00 55.73 54.77 1pro s ARG 41 Cb 0.00 -2.14 0.03 0.00 -0.45 0.00 0.00 34.95 32.40 1pro s ARG 41 CO 0.00 -0.29 0.38 1.67 -0.68 0.00 0.00 175.30 176.38 1pro s TRP 42 N -2.67 -0.21 0.04 -0.53 1.48 -1.26 -4.65 118.94 111.13 1pro s TRP 42 Ca 0.58 0.09 0.04 0.00 -1.06 0.00 0.00 56.10 55.75 1pro s TRP 42 Cb -0.10 0.20 -0.04 0.00 -1.16 0.00 0.00 33.47 32.37 1pro s TRP 42 CO 0.33 -0.59 -0.07 0.15 -4.06 0.00 0.00 176.95 172.72 1pro s LYS 43 N -2.81 2.43 0.41 3.25 1.02 -0.52 -4.86 119.74 118.66 1pro s LYS 43 Ca -0.03 -0.81 -0.25 0.00 0.02 0.00 0.00 55.97 54.89 1pro s LYS 43 Cb -0.00 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 1pro s LYS 43 CO -0.05 0.57 1.23 -2.14 -0.92 0.00 0.00 175.35 174.04 1pro s PRO 44 N -1.69 3.99 0.25 -1.68 0.02 -1.26 -0.54 135.00 134.08 1pro s PRO 44 Ca 0.19 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.05 1pro s PRO 44 Cb -0.11 -2.70 -0.00 0.00 0.02 0.00 0.00 34.50 31.71 1pro s PRO 44 CO 0.10 -0.41 0.48 0.21 -0.33 0.00 0.00 177.00 177.05 1pro s LYS 45 N -2.29 1.54 -0.02 5.54 2.20 -0.89 -4.88 119.74 120.94 1pro s LYS 45 Ca 0.57 -1.23 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1pro s LYS 45 Cb -0.34 0.47 -0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1pro s LYS 45 CO 0.43 -0.64 -0.08 1.41 -0.36 0.00 0.00 175.35 176.10 1pro s MET 46 N -4.01 0.79 0.11 4.03 -2.45 -1.26 -1.20 119.30 115.32 1pro s MET 46 Ca 0.22 -0.28 0.07 0.00 -1.25 0.00 0.00 55.69 54.45 1pro s MET 46 Cb -0.01 -0.76 -0.03 0.00 1.25 0.00 0.00 34.83 35.28 1pro s MET 46 CO 0.08 0.13 -0.18 0.96 1.05 0.00 0.00 175.02 177.07 1pro s ILE 47 N 0.05 1.53 -0.05 10.11 -4.36 0.14 -4.95 121.20 123.67 1pro s ILE 47 Ca -0.01 -1.56 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 1pro s ILE 47 Cb -0.06 -1.48 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 1pro s ILE 47 CO 0.00 -0.19 -0.07 -0.83 0.24 0.00 0.00 174.94 174.09 1pro s GLY 48 N -2.05 1.69 0.00 6.27 0.00 -1.26 -0.76 107.32 111.20 1pro s GLY 48 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1pro s GLY 48 CO 0.04 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1pro n GLY 49 N 2.08 5.41 3.75 0.20 0.00 0.34 -4.98 105.19 111.99 1pro n GLY 49 Ca -0.17 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1pro n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pro s ILE 50 N 0.97 3.80 0.00 -0.61 1.01 -1.26 -3.51 121.20 121.60 1pro s ILE 50 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1pro s ILE 50 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1pro s ILE 50 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1pro n GLY 51 N 1.68 1.53 0.00 6.18 0.00 -1.26 -4.90 105.19 108.42 1pro n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pro n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pro n GLY 52 N -2.00 0.87 3.59 -0.02 0.00 -1.23 -5.11 105.19 101.29 1pro n GLY 52 Ca 0.00 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 1pro n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pro s PHE 53 N -2.02 2.68 0.05 1.61 -0.71 -1.26 -0.50 117.98 117.82 1pro s PHE 53 Ca 0.00 -0.20 0.03 0.00 -1.04 0.00 0.00 56.93 55.72 1pro s PHE 53 Cb 0.00 -1.30 -0.03 0.00 -1.21 0.00 0.00 43.02 40.49 1pro s PHE 53 CO 0.00 0.52 -0.11 0.96 -1.34 0.00 0.00 175.22 175.25 1pro s ILE 54 N -1.74 0.79 -0.11 -4.49 -4.36 0.06 -4.96 121.20 106.38 1pro s ILE 54 Ca 0.26 -1.14 -0.20 0.00 -0.26 0.00 0.00 60.65 59.31 1pro s ILE 54 Cb -0.09 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.78 1pro s ILE 54 CO 0.16 -0.28 0.54 -0.75 0.24 0.00 0.00 174.94 174.85 1pro s LYS 55 N -1.58 4.35 0.26 0.37 2.47 -1.26 -0.68 119.74 123.67 1pro s LYS 55 Ca -0.06 0.56 0.07 0.00 -1.56 0.00 0.00 55.97 54.98 1pro s LYS 55 Cb -0.10 -3.45 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 1pro s LYS 55 CO 0.01 0.09 -0.07 0.14 0.16 0.00 0.00 175.35 175.68 1pro s VAL 56 N 0.80 1.61 -0.15 4.02 -7.23 -0.34 -4.47 120.40 114.63 1pro s VAL 56 Ca 0.29 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1pro s VAL 56 Cb -0.16 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1pro s VAL 56 CO 0.12 -0.37 0.01 -0.13 -0.31 0.00 0.00 175.10 174.42 1pro s ARG 57 N -3.72 3.69 -0.26 4.82 0.52 0.28 -2.10 118.95 122.18 1pro s ARG 57 Ca 0.28 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1pro s ARG 57 Cb 0.03 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1pro s ARG 57 CO 0.10 0.33 0.10 -1.14 0.02 0.00 0.00 175.30 174.71 1pro s GLN 58 N 0.17 3.70 -0.12 3.54 0.74 0.29 -0.67 119.66 127.32 1pro s GLN 58 Ca 0.01 -0.45 -0.02 0.00 0.05 0.00 0.00 55.36 54.95 1pro s GLN 58 Cb -0.13 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1pro s GLN 58 CO 0.02 -0.20 -0.05 0.71 -0.55 0.00 0.00 175.29 175.21 1pro s TYR 59 N 1.65 2.98 0.28 1.67 1.51 0.07 -1.44 117.35 124.07 1pro s TYR 59 Ca 0.06 -0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1pro s TYR 59 Cb -0.15 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1pro s TYR 59 CO 0.05 0.10 0.28 -0.51 -1.11 0.00 0.00 175.55 174.36 1pro s ASP 60 N -0.11 5.66 -1.39 2.29 1.01 -1.26 -1.26 116.67 121.62 1pro s ASP 60 Ca 0.02 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 53.01 1pro s ASP 60 Cb -0.13 -1.37 0.02 0.00 1.01 0.00 0.00 42.92 42.45 1pro s ASP 60 CO 0.03 -0.15 0.68 0.00 0.21 0.00 0.00 175.17 175.93 1pro n GLN 61 N -1.31 -4.55 -3.71 8.23 6.02 -1.18 -4.92 117.38 115.95 1pro n GLN 61 Ca -0.06 0.55 -0.36 0.00 -0.01 0.00 0.00 57.00 57.13 1pro n GLN 61 Cb 0.58 -5.07 -0.08 0.00 1.02 0.00 0.00 30.24 26.70 1pro n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pro s ILE 62 N -3.67 5.40 0.01 5.09 -1.09 -0.25 -4.79 121.20 121.90 1pro s ILE 62 Ca 0.14 0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 58.53 1pro s ILE 62 Cb -0.07 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1pro s ILE 62 CO 0.84 0.46 0.96 -0.22 -1.23 0.00 0.00 174.94 175.74 1pro s LEU 63 N 0.19 4.38 -0.03 2.97 2.96 -1.26 -2.06 118.68 125.82 1pro s LEU 63 Ca 0.10 1.64 0.03 0.00 -0.22 0.00 0.00 54.13 55.69 1pro s LEU 63 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1pro s LEU 63 CO -0.00 -0.23 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.04 1pro s ILE 64 N 0.87 1.09 -0.33 6.68 1.01 -0.31 -4.47 121.20 125.75 1pro s ILE 64 Ca 0.50 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 1pro s ILE 64 Cb -0.21 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.32 1pro s ILE 64 CO 0.28 0.33 0.15 -1.61 0.00 0.00 0.00 174.94 174.08 1pro s GLU 65 N 0.13 3.10 -0.33 2.79 2.02 -0.28 -1.10 118.70 125.02 1pro s GLU 65 Ca -0.03 -0.88 -0.09 0.00 0.02 0.00 0.00 54.97 53.99 1pro s GLU 65 Cb -0.10 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.58 1pro s GLU 65 CO 0.01 -0.52 0.15 0.42 0.02 0.00 0.00 175.26 175.34 1pro s ILE 66 N 1.56 4.34 -1.50 -1.63 1.01 0.31 -1.26 121.20 124.02 1pro s ILE 66 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1pro s ILE 66 Cb -0.18 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 39.03 1pro s ILE 66 CO 0.05 -0.06 0.59 0.00 0.00 0.00 0.00 174.94 175.52 1pro n GLY 68 N -1.78 3.12 3.67 0.00 0.00 -1.26 -5.01 105.19 103.94 1pro n GLY 68 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1pro n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pro s HIS 69 N -1.69 3.40 0.40 1.61 4.02 -0.32 -5.01 115.29 117.71 1pro s HIS 69 Ca 0.00 0.82 -0.24 0.00 1.02 0.00 0.00 55.06 56.66 1pro s HIS 69 Cb 0.00 -2.66 -0.09 0.00 -1.02 0.00 0.00 32.58 28.81 1pro s HIS 69 CO 0.00 -0.05 1.04 0.15 1.02 0.00 0.00 174.74 176.90 1pro s LYS 70 N 1.45 4.18 0.10 1.40 1.02 -1.26 -0.53 119.74 126.10 1pro s LYS 70 Ca 0.25 1.48 -0.18 0.00 0.02 0.00 0.00 55.97 57.55 1pro s LYS 70 Cb -0.15 -2.53 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1pro s LYS 70 CO 0.10 -0.12 0.43 0.00 -0.92 0.00 0.00 175.35 174.84 1pro s ALA 71 N -1.68 -1.05 -0.02 5.17 0.00 -0.26 -4.89 121.76 119.02 1pro s ALA 71 Ca 0.58 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1pro s ALA 71 Cb -0.21 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1pro s ALA 71 CO 0.27 -0.60 -0.02 0.42 0.00 0.00 0.00 175.76 175.83 1pro s ILE 72 N -3.37 0.28 0.00 0.00 1.01 -1.26 -1.16 121.20 116.70 1pro s ILE 72 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1pro s ILE 72 Cb 0.01 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1pro s ILE 72 CO -0.09 0.14 0.08 0.61 0.00 0.00 0.00 174.94 175.67 1pro n GLY 73 N 3.71 0.81 3.73 6.18 0.00 -0.88 -4.87 105.19 113.88 1pro n GLY 73 Ca -0.22 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1pro n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pro s THR 74 N -2.27 4.55 -0.07 2.61 2.01 -1.26 -1.09 115.64 120.11 1pro s THR 74 Ca 0.02 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.08 1pro s THR 74 Cb -0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1pro s THR 74 CO 0.00 0.31 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.39 1pro s VAL 75 N 0.06 1.44 -0.13 3.82 1.01 -0.39 -4.51 120.40 121.70 1pro s VAL 75 Ca 0.46 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1pro s VAL 75 Cb -0.23 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1pro s VAL 75 CO 0.29 0.42 0.09 -0.76 0.00 0.00 0.00 175.10 175.14 1pro s LEU 76 N 0.48 4.04 -0.05 3.92 1.43 -0.55 -0.75 118.68 127.20 1pro s LEU 76 Ca -0.14 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1pro s LEU 76 Cb -0.16 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1pro s LEU 76 CO 0.05 0.32 -0.22 -0.69 0.23 0.00 0.00 176.35 176.04 1pro s VAL 77 N -0.52 1.84 -2.19 -1.59 1.01 0.15 -0.76 120.40 118.34 1pro s VAL 77 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1pro s VAL 77 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1pro s VAL 77 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1pro n GLY 78 N 2.97 -1.05 2.37 4.51 0.00 -0.21 -0.55 105.19 113.23 1pro n GLY 78 Ca -0.17 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 1pro n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pro n PRO 79 N 0.00 3.73 -3.44 1.61 -0.04 -1.26 -3.22 135.00 132.38 1pro n PRO 79 Ca 0.00 -2.39 -0.35 0.00 -0.04 0.00 0.00 63.50 60.72 1pro n PRO 79 Cb 0.00 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 1pro n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pro s THR 80 N 1.88 4.95 0.25 0.52 -1.32 -1.26 -4.99 115.64 115.66 1pro s THR 80 Ca 0.66 0.68 0.26 0.00 -1.21 0.00 0.00 61.69 62.07 1pro s THR 80 Cb 0.18 -3.70 0.26 0.00 -1.51 0.00 0.00 72.50 67.73 1pro s THR 80 CO -0.07 0.25 1.93 1.55 -2.21 0.00 0.00 174.62 176.07 1pro h PRO 81 N 3.57 0.00 -4.27 7.08 0.13 -1.98 -3.42 132.00 133.11 1pro h PRO 81 Ca -0.49 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.38 1pro h PRO 81 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1pro h PRO 81 CO 0.66 0.18 -0.73 0.08 -0.23 0.00 0.00 178.00 177.96 1pro s VAL 82 N -3.86 0.35 -0.08 1.56 1.01 -1.26 -5.05 120.40 113.06 1pro s VAL 82 Ca -0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1pro s VAL 82 Cb 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1pro s VAL 82 CO 0.61 -0.23 1.14 0.20 0.00 0.00 0.00 175.10 176.82 1pro s ASN 83 N -0.96 7.11 -0.12 3.32 0.01 -1.26 -4.62 114.94 118.40 1pro s ASN 83 Ca -0.07 1.71 0.02 0.00 -0.71 0.00 0.00 52.86 53.81 1pro s ASN 83 Cb -0.07 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1pro s ASN 83 CO -0.00 -0.55 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.23 1pro s ILE 84 N 2.23 2.57 -0.32 0.60 1.01 0.16 -0.67 121.20 126.78 1pro s ILE 84 Ca 0.53 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 1pro s ILE 84 Cb -0.22 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1pro s ILE 84 CO 0.20 0.54 0.15 -0.63 0.00 0.00 0.00 174.94 175.20 1pro s ILE 85 N 0.46 4.51 0.00 2.92 -1.09 0.29 -1.62 121.20 126.66 1pro s ILE 85 Ca -0.12 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1pro s ILE 85 Cb -0.17 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1pro s ILE 85 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.38 1pro n GLY 86 N 4.97 2.22 0.24 6.18 0.00 -1.16 -1.58 105.19 116.06 1pro n GLY 86 Ca -0.13 -2.14 0.09 0.00 0.00 0.00 0.00 46.02 43.84 1pro n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pro h ARG 87 N 0.00 0.00 -0.11 1.61 3.08 -0.75 -2.04 114.38 116.17 1pro h ARG 87 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pro h ARG 87 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1pro h ARG 87 CO 0.00 0.16 0.07 -2.95 -1.07 0.00 0.00 179.97 176.18 1pro h ASN 88 N 0.00 0.13 0.07 7.04 -1.07 -1.75 -2.40 115.58 117.59 1pro h ASN 88 Ca -0.00 -0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.11 1pro h ASN 88 Cb 0.35 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 36.52 1pro h ASN 88 CO 0.02 0.11 -2.19 0.18 0.07 0.00 0.00 177.43 175.61 1pro n LEU 89 N -4.51 0.09 -0.07 6.14 4.77 -0.87 -4.33 117.00 118.22 1pro n LEU 89 Ca -0.01 0.04 -0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1pro n LEU 89 Cb 0.09 0.33 0.28 0.00 -2.33 0.00 0.00 43.42 41.79 1pro n LEU 89 CO 0.34 0.34 1.04 -0.07 -1.33 0.00 0.00 177.39 177.71 1pro h LEU 90 N 0.00 0.62 -1.19 2.23 3.38 -1.18 -1.65 115.31 117.53 1pro h LEU 90 Ca -0.37 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1pro h LEU 90 Cb 1.86 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1pro h LEU 90 CO 0.02 0.59 -0.01 0.71 0.09 0.00 0.00 178.44 179.84 1pro h THR 91 N 0.68 1.20 -0.11 0.22 1.35 -1.64 -1.50 112.91 113.10 1pro h THR 91 Ca 0.16 -0.82 -0.10 0.00 -0.55 0.00 0.00 66.41 65.10 1pro h THR 91 Cb 0.18 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1pro h THR 91 CO -0.01 0.28 -0.38 1.56 -0.25 0.00 0.00 175.52 176.72 1pro h GLN 92 N 0.52 0.23 -0.43 4.72 4.20 -1.50 -2.03 115.11 120.82 1pro h GLN 92 Ca 0.11 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1pro h GLN 92 Cb 0.35 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1pro h GLN 92 CO 0.01 0.59 0.00 0.44 -0.67 0.00 0.00 178.83 179.20 1pro n ILE 93 N -4.05 0.62 -2.69 2.54 -5.35 -1.02 -4.93 119.36 104.48 1pro n ILE 93 Ca -0.01 -0.55 -0.14 0.00 -0.27 0.00 0.00 62.75 61.78 1pro n ILE 93 Cb 0.46 0.21 0.02 0.00 -1.74 0.00 0.00 39.64 38.59 1pro n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pro n GLY 94 N 1.07 -0.07 3.72 3.28 0.00 -0.76 -4.99 105.19 107.43 1pro n GLY 94 Ca 0.14 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1pro n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pro s THR 96 N 0.65 1.89 -0.13 0.00 -4.23 -1.26 -4.72 115.64 107.84 1pro s THR 96 Ca 0.48 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1pro s THR 96 Cb -0.21 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1pro s THR 96 CO 0.27 -0.38 0.09 -0.22 -0.54 0.00 0.00 174.62 173.83 1pro s LEU 97 N -3.44 4.05 -0.02 4.79 2.96 -1.26 -5.09 118.68 120.67 1pro s LEU 97 Ca 0.28 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1pro s LEU 97 Cb 0.01 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1pro s LEU 97 CO 0.12 0.33 0.01 0.20 -1.32 0.00 0.00 176.35 175.69 1pro s ASN 98 N -0.57 0.14 0.00 3.68 0.01 -1.26 -5.29 114.94 111.65 1pro s ASN 98 Ca 0.11 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1pro s ASN 98 Cb -0.12 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1pro s ASN 98 CO 0.02 -0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.76