#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aof s GLN 2 N 0.00 3.29 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.64 2aof s GLN 2 Ca 0.00 -0.70 -0.04 0.00 0.05 0.00 0.00 55.36 54.67 2aof s GLN 2 Cb 0.00 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.40 2aof s GLN 2 CO 0.00 0.01 -0.04 0.42 -0.55 0.00 0.00 175.29 175.13 2aof s ILE 3 N 0.87 3.28 0.90 -2.34 1.01 -1.26 -5.11 121.20 118.55 2aof s ILE 3 Ca -0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.83 2aof s ILE 3 Cb -0.15 -2.55 0.14 0.00 0.01 0.00 0.00 42.46 39.90 2aof s ILE 3 CO -0.00 0.34 1.19 0.42 0.00 0.00 0.00 174.94 176.89 2aof s THR 4 N 1.44 1.98 -0.14 2.92 -4.23 -1.26 -5.01 115.64 111.34 2aof s THR 4 Ca 0.04 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 2aof s THR 4 Cb -0.15 -2.89 0.30 0.00 1.34 0.00 0.00 72.50 71.10 2aof s THR 4 CO -0.03 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.38 2aof n LEU 5 N -3.64 2.33 0.07 4.79 4.77 -1.26 -4.59 117.00 119.47 2aof n LEU 5 Ca 0.09 -3.15 0.03 0.00 -0.03 0.00 0.00 56.01 52.95 2aof n LEU 5 Cb 0.60 -0.43 0.41 0.00 -2.33 0.00 0.00 43.42 41.67 2aof n LEU 5 CO 0.54 0.81 1.00 -0.50 -1.33 0.00 0.00 177.39 177.91 2aof h TRP 6 N 0.17 0.36 -2.70 -1.77 4.06 -2.06 -3.43 115.95 110.58 2aof h TRP 6 Ca -0.00 -0.02 -0.50 0.00 2.06 0.00 0.00 58.89 60.43 2aof h TRP 6 Cb 1.02 -0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 28.93 2aof h TRP 6 CO 0.13 0.35 -0.58 0.15 -3.56 0.00 0.00 178.44 174.93 2aof s LYS 7 N -5.04 1.74 0.24 0.49 3.01 -1.26 -5.11 119.74 113.80 2aof s LYS 7 Ca -0.07 -2.00 -0.31 0.00 -1.01 0.00 0.00 55.97 52.59 2aof s LYS 7 Cb 0.16 -0.83 -0.12 0.00 -1.01 0.00 0.00 37.83 36.04 2aof s LYS 7 CO 0.73 -0.26 1.66 1.03 0.51 0.00 0.00 175.35 179.02 2aof s ARG 8 N -3.85 4.13 -1.21 1.68 0.52 -1.26 -4.87 118.95 114.09 2aof s ARG 8 Ca 0.32 2.58 -0.18 0.00 -0.52 0.00 0.00 55.73 57.93 2aof s ARG 8 Cb 0.07 -3.06 0.09 0.00 0.52 0.00 0.00 34.95 32.57 2aof s ARG 8 CO 0.15 -0.70 1.60 -1.25 0.02 0.00 0.00 175.30 175.12 2aof s PRO 9 N 0.55 3.91 -0.05 3.54 0.04 -1.26 -4.95 135.00 136.79 2aof s PRO 9 Ca 0.70 -1.93 -0.13 0.00 0.04 0.00 0.00 61.00 59.69 2aof s PRO 9 Cb -0.49 -5.39 -0.05 0.00 0.04 0.00 0.00 34.50 28.61 2aof s PRO 9 CO 0.38 -2.14 0.34 -0.51 0.04 0.00 0.00 177.00 175.11 2aof s LEU 10 N 3.83 4.42 0.14 -3.56 1.43 -1.26 -0.89 118.68 122.79 2aof s LEU 10 Ca 0.49 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2aof s LEU 10 Cb 0.02 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2aof s LEU 10 CO 0.02 0.30 -0.03 0.68 0.23 0.00 0.00 176.35 177.56 2aof s VAL 11 N -0.81 0.71 0.07 -1.59 -7.23 -0.03 -4.96 120.40 106.56 2aof s VAL 11 Ca 0.21 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.18 2aof s VAL 11 Cb -0.15 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 2aof s VAL 11 CO 0.10 -0.64 0.69 -0.89 -0.31 0.00 0.00 175.10 174.05 2aof s THR 12 N -3.63 4.69 0.19 5.32 2.01 -1.26 -1.01 115.64 121.96 2aof s THR 12 Ca 0.19 1.47 0.09 0.00 0.31 0.00 0.00 61.69 63.75 2aof s THR 12 Cb 0.06 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2aof s THR 12 CO 0.01 0.45 -0.18 0.27 -0.69 0.00 0.00 174.62 174.48 2aof s ILE 13 N -0.56 1.90 -0.14 1.82 -4.36 0.25 -1.33 121.20 118.78 2aof s ILE 13 Ca 0.34 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 2aof s ILE 13 Cb -0.20 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.55 2aof s ILE 13 CO 0.22 -0.39 -0.22 -0.75 0.24 0.00 0.00 174.94 174.03 2aof s LYS 14 N -3.11 3.01 -0.14 0.37 2.20 -0.14 -1.21 119.74 120.72 2aof s LYS 14 Ca 0.19 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.87 2aof s LYS 14 Cb -0.04 -2.44 0.05 0.00 -1.51 0.00 0.00 37.83 33.89 2aof s LYS 14 CO 0.08 -0.03 0.33 -1.50 -0.36 0.00 0.00 175.35 173.87 2aof s ILE 15 N 0.85 -0.03 -1.65 5.43 2.07 -0.09 -1.69 121.20 126.09 2aof s ILE 15 Ca -0.06 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2aof s ILE 15 Cb -0.15 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 41.94 2aof s ILE 15 CO -0.03 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 2aof n GLY 16 N 4.03 0.01 2.53 1.50 0.00 -1.26 -0.84 105.19 111.16 2aof n GLY 16 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2aof n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aof n GLY 17 N -0.96 0.58 3.47 -0.02 0.00 -1.26 -5.02 105.19 101.98 2aof n GLY 17 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2aof n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aof s GLN 18 N -0.25 2.25 -0.03 1.61 -0.21 -0.02 -5.11 119.66 117.90 2aof s GLN 18 Ca 0.00 -0.87 -0.16 0.00 0.02 0.00 0.00 55.36 54.35 2aof s GLN 18 Cb 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 2aof s GLN 18 CO 0.00 0.57 0.43 -0.51 -2.12 0.00 0.00 175.29 173.66 2aof s LEU 19 N -1.19 4.43 0.09 2.90 1.43 -1.26 -0.91 118.68 124.16 2aof s LEU 19 Ca 0.14 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2aof s LEU 19 Cb -0.11 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2aof s LEU 19 CO 0.04 0.24 0.01 -0.54 0.23 0.00 0.00 176.35 176.33 2aof s LYS 20 N -0.63 0.76 -0.08 1.70 1.02 -0.35 -4.99 119.74 117.17 2aof s LYS 20 Ca 0.24 -1.32 -0.10 0.00 0.02 0.00 0.00 55.97 54.81 2aof s LYS 20 Cb -0.16 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2aof s LYS 20 CO 0.13 -0.18 0.25 -1.21 -0.92 0.00 0.00 175.35 173.41 2aof s GLU 21 N -3.98 3.66 0.03 1.68 0.41 -1.26 -0.58 118.70 118.66 2aof s GLU 21 Ca 0.15 0.09 -0.06 0.00 -0.41 0.00 0.00 54.97 54.73 2aof s GLU 21 Cb 0.08 -3.21 -0.01 0.00 -1.78 0.00 0.00 34.13 29.21 2aof s GLU 21 CO -0.04 0.72 0.12 0.00 -0.49 0.00 0.00 175.26 175.56 2aof s ALA 22 N -0.97 -0.17 -0.18 5.21 0.00 -0.18 -4.61 121.76 120.85 2aof s ALA 22 Ca 0.18 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 2aof s ALA 22 Cb -0.14 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2aof s ALA 22 CO 0.07 -0.29 0.49 -1.17 0.00 0.00 0.00 175.76 174.87 2aof s LEU 23 N -1.88 4.18 -0.39 0.00 2.96 -0.10 -0.85 118.68 122.60 2aof s LEU 23 Ca -0.08 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 2aof s LEU 23 Cb -0.03 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.99 2aof s LEU 23 CO -0.03 -0.12 1.32 -0.76 -1.32 0.00 0.00 176.35 175.44 2aof s LEU 24 N 1.34 3.69 -0.38 -0.68 1.43 -0.07 -0.75 118.68 123.27 2aof s LEU 24 Ca 0.24 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 2aof s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2aof s LEU 24 CO 0.09 -1.28 0.14 -0.62 0.23 0.00 0.00 176.35 174.91 2aof s ASP 25 N 3.27 4.25 0.40 2.29 -1.08 -0.33 -4.78 116.67 120.68 2aof s ASP 25 Ca 0.57 -2.23 0.28 0.00 -0.52 0.00 0.00 52.55 50.65 2aof s ASP 25 Cb -0.13 -1.28 1.26 0.00 -1.46 0.00 0.00 42.92 41.31 2aof s ASP 25 CO 0.29 -0.34 1.85 0.71 0.52 0.00 0.00 175.17 178.20 2aof h THR 26 N 6.12 0.00 -0.17 1.71 1.35 -1.93 -2.06 112.91 117.93 2aof h THR 26 Ca -0.07 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2aof h THR 26 Cb 0.98 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2aof h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2aof n GLY 27 N -0.25 0.12 3.42 5.82 0.00 -1.26 -4.82 105.19 108.22 2aof n GLY 27 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2aof n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aof s ALA 28 N -1.78 2.81 0.21 4.61 0.00 -0.77 -5.00 121.76 121.82 2aof s ALA 28 Ca 0.29 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 2aof s ALA 28 Cb 0.15 -1.42 0.17 0.00 0.00 0.00 0.00 23.12 22.03 2aof s ALA 28 CO 0.23 0.15 1.63 -0.44 0.00 0.00 0.00 175.76 177.33 2aof h ASP 29 N 6.88 0.82 -2.58 0.00 3.32 -1.87 0.11 116.42 123.09 2aof h ASP 29 Ca -0.30 -0.29 -0.55 0.00 0.02 0.00 0.00 57.03 55.92 2aof h ASP 29 Cb 1.20 -0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.38 2aof h ASP 29 CO 0.59 1.00 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.56 2aof s ASP 30 N -6.73 3.20 -0.17 6.45 1.01 -1.26 -2.47 116.67 116.69 2aof s ASP 30 Ca -0.10 -1.05 -0.18 0.00 0.71 0.00 0.00 52.55 51.94 2aof s ASP 30 Cb 0.13 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 2aof s ASP 30 CO 0.84 -0.08 0.47 -0.89 0.21 0.00 0.00 175.17 175.72 2aof s THR 31 N -2.71 5.16 -0.07 -1.27 2.01 -1.26 -3.35 115.64 114.14 2aof s THR 31 Ca 0.28 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.17 2aof s THR 31 Cb -0.02 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2aof s THR 31 CO 0.12 0.25 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 2aof s VAL 32 N 1.19 0.74 0.06 3.82 1.01 -0.30 -1.10 120.40 125.81 2aof s VAL 32 Ca 0.23 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2aof s VAL 32 Cb -0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2aof s VAL 32 CO 0.09 0.29 -0.24 -0.63 0.00 0.00 0.00 175.10 174.61 2aof s ILE 33 N 1.28 1.99 0.99 2.22 -1.09 0.17 -0.62 121.20 126.15 2aof s ILE 33 Ca -0.04 -1.41 -0.12 0.00 -2.23 0.00 0.00 60.65 56.85 2aof s ILE 33 Cb -0.14 -1.72 0.13 0.00 -1.58 0.00 0.00 42.46 39.15 2aof s ILE 33 CO -0.02 0.24 0.77 -1.84 -1.23 0.00 0.00 174.94 172.86 2aof n GLU 34 N 1.60 -0.87 -1.64 2.79 0.28 -1.26 -1.50 120.64 120.04 2aof n GLU 34 Ca -0.17 -0.21 -0.48 0.00 -0.16 0.00 0.00 57.16 56.14 2aof n GLU 34 Cb 0.53 -2.10 -0.04 0.00 1.43 0.00 0.00 31.44 31.25 2aof n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aof n GLU 35 N -3.34 1.81 -3.58 3.44 -0.58 -1.24 -4.58 120.64 112.58 2aof n GLU 35 Ca 0.08 0.65 -0.08 0.00 -0.42 0.00 0.00 57.16 57.39 2aof n GLU 35 Cb 0.54 -2.35 -0.02 0.00 -0.57 0.00 0.00 31.44 29.04 2aof n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aof s MET 36 N 0.50 1.10 0.11 3.49 0.23 -1.26 -5.04 119.30 118.43 2aof s MET 36 Ca 0.78 -0.49 -0.25 0.00 -1.03 0.00 0.00 55.69 54.70 2aof s MET 36 Cb -0.76 0.45 -0.07 0.00 -1.53 0.00 0.00 34.83 32.93 2aof s MET 36 CO 0.43 -0.49 0.77 0.45 -2.03 0.00 0.00 175.02 174.15 2aof s SER 37 N -2.69 7.30 0.08 -1.18 0.15 -1.26 -5.03 113.70 111.07 2aof s SER 37 Ca 0.06 1.55 0.04 0.00 0.70 0.00 0.00 55.95 58.31 2aof s SER 37 Cb -0.02 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2aof s SER 37 CO -0.06 0.12 -0.12 -0.76 1.20 0.00 0.00 173.24 173.63 2aof s LEU 38 N -0.63 2.33 0.61 3.45 1.43 -1.26 -4.90 118.68 119.71 2aof s LEU 38 Ca 0.37 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 2aof s LEU 38 Cb -0.22 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2aof s LEU 38 CO 0.25 -0.17 1.08 -2.16 0.23 0.00 0.00 176.35 175.57 2aof s PRO 39 N -2.16 3.16 0.10 1.29 0.04 -1.26 -4.96 135.00 131.20 2aof s PRO 39 Ca 0.00 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2aof s PRO 39 Cb -0.07 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2aof s PRO 39 CO 0.01 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2aof n GLY 40 N -0.81 -2.50 3.84 0.56 0.00 -1.26 -4.94 105.19 100.08 2aof n GLY 40 Ca 0.09 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 2aof n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aof s ARG 41 N -0.32 3.71 0.12 1.61 1.70 -1.26 -5.08 118.95 119.42 2aof s ARG 41 Ca 0.00 0.98 -0.06 0.00 -0.47 0.00 0.00 55.73 56.18 2aof s ARG 41 Cb 0.00 -2.10 -0.02 0.00 -0.57 0.00 0.00 34.95 32.26 2aof s ARG 41 CO 0.00 -0.48 0.16 1.67 -1.08 0.00 0.00 175.30 175.58 2aof s TRP 42 N -2.70 0.45 0.03 5.89 1.48 -1.26 -4.45 118.94 118.38 2aof s TRP 42 Ca 0.59 -0.86 -0.00 0.00 -1.06 0.00 0.00 56.10 54.77 2aof s TRP 42 Cb -0.12 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 31.97 2aof s TRP 42 CO 0.37 -0.58 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.06 2aof s LYS 43 N -3.95 0.36 0.57 3.25 -2.85 -0.86 -4.92 119.74 111.35 2aof s LYS 43 Ca 0.14 -0.71 -0.17 0.00 -1.00 0.00 0.00 55.97 54.23 2aof s LYS 43 Cb 0.05 0.12 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 2aof s LYS 43 CO -0.04 -0.06 1.06 -1.25 0.10 0.00 0.00 175.35 175.16 2aof s PRO 44 N -1.86 3.40 -0.03 1.78 0.04 -1.26 -0.28 135.00 136.80 2aof s PRO 44 Ca -0.12 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 2aof s PRO 44 Cb -0.07 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.45 2aof s PRO 44 CO -0.02 -0.75 0.30 0.21 0.04 0.00 0.00 177.00 176.77 2aof s LYS 45 N -3.86 0.61 -0.11 4.56 2.20 -0.53 -4.85 119.74 117.76 2aof s LYS 45 Ca 0.65 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 56.11 2aof s LYS 45 Cb -0.17 0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2aof s LYS 45 CO 0.33 -0.16 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.47 2aof s MET 46 N -1.14 3.24 0.07 4.03 -1.94 -1.26 -0.78 119.30 121.52 2aof s MET 46 Ca -0.12 -0.53 0.07 0.00 -1.71 0.00 0.00 55.69 53.39 2aof s MET 46 Cb -0.05 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 2aof s MET 46 CO 0.04 0.44 -0.18 0.96 -0.01 0.00 0.00 175.02 176.27 2aof s ILE 47 N -0.19 1.44 0.17 2.53 -4.36 -0.51 -4.97 121.20 115.30 2aof s ILE 47 Ca 0.03 -1.31 0.02 0.00 -0.26 0.00 0.00 60.65 59.13 2aof s ILE 47 Cb -0.13 -1.31 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 2aof s ILE 47 CO 0.03 -0.04 -0.01 -0.83 0.24 0.00 0.00 174.94 174.33 2aof s GLY 48 N -1.57 1.20 0.00 6.27 0.00 -1.26 -1.09 107.32 110.86 2aof s GLY 48 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.18 2aof s GLY 48 CO 0.03 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.21 2aof n GLY 49 N -0.23 0.95 3.76 0.20 0.00 -0.47 -4.98 105.19 104.42 2aof n GLY 49 Ca -0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2aof n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aof s ILE 50 N -0.22 2.35 0.00 -0.61 1.01 -1.26 -1.70 121.20 120.77 2aof s ILE 50 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2aof s ILE 50 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2aof s ILE 50 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2aof n GLY 51 N 1.68 1.46 0.00 6.18 0.00 -1.26 -4.94 105.19 108.31 2aof n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2aof n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aof n GLY 52 N -2.00 0.01 3.59 -0.02 0.00 -0.69 -5.04 105.19 101.03 2aof n GLY 52 Ca 0.00 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2aof n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aof s PHE 53 N 0.00 2.73 0.15 1.61 0.40 -1.26 -1.36 117.98 120.25 2aof s PHE 53 Ca 0.00 -0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.23 2aof s PHE 53 Cb 0.00 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2aof s PHE 53 CO 0.00 0.46 -0.16 0.96 0.70 0.00 0.00 175.22 177.18 2aof s ILE 54 N -1.38 1.56 -0.07 0.64 -4.36 -0.25 -4.96 121.20 112.38 2aof s ILE 54 Ca 0.23 -1.84 -0.17 0.00 -0.26 0.00 0.00 60.65 58.60 2aof s ILE 54 Cb -0.10 -1.71 -0.05 0.00 1.25 0.00 0.00 42.46 41.85 2aof s ILE 54 CO 0.15 -0.40 0.46 -0.75 0.24 0.00 0.00 174.94 174.65 2aof s LYS 55 N -2.82 4.21 0.24 0.37 2.20 -1.26 -1.43 119.74 121.26 2aof s LYS 55 Ca 0.13 0.46 0.02 0.00 -0.36 0.00 0.00 55.97 56.23 2aof s LYS 55 Cb -0.05 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2aof s LYS 55 CO 0.05 0.35 0.04 0.14 -0.36 0.00 0.00 175.35 175.57 2aof s VAL 56 N -0.02 0.83 -0.20 4.02 -7.23 0.04 -4.43 120.40 113.41 2aof s VAL 56 Ca 0.25 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2aof s VAL 56 Cb -0.16 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 2aof s VAL 56 CO 0.12 -0.20 0.12 -0.13 -0.31 0.00 0.00 175.10 174.69 2aof s ARG 57 N -3.93 4.14 -0.30 4.82 0.52 0.16 -1.45 118.95 122.91 2aof s ARG 57 Ca 0.32 -0.25 -0.11 0.00 -0.52 0.00 0.00 55.73 55.17 2aof s ARG 57 Cb 0.07 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 32.13 2aof s ARG 57 CO 0.10 0.29 0.18 -1.14 0.02 0.00 0.00 175.30 174.76 2aof s GLN 58 N 0.38 3.67 -0.15 3.54 0.74 0.62 -0.84 119.66 127.61 2aof s GLN 58 Ca 0.07 -0.51 -0.03 0.00 0.05 0.00 0.00 55.36 54.95 2aof s GLN 58 Cb -0.11 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 2aof s GLN 58 CO -0.01 -0.30 -0.07 0.71 -0.55 0.00 0.00 175.29 175.07 2aof s TYR 59 N 1.70 2.96 0.23 1.67 1.51 -0.49 -2.03 117.35 122.91 2aof s TYR 59 Ca 0.06 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 2aof s TYR 59 Cb -0.16 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2aof s TYR 59 CO 0.09 -0.09 0.25 -0.51 -1.11 0.00 0.00 175.55 174.18 2aof s ASP 60 N 0.36 5.84 -1.30 2.29 1.01 -1.26 -0.98 116.67 122.62 2aof s ASP 60 Ca -0.06 -0.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.08 2aof s ASP 60 Cb -0.15 -1.59 0.01 0.00 1.01 0.00 0.00 42.92 42.20 2aof s ASP 60 CO 0.04 -0.03 0.81 0.00 0.21 0.00 0.00 175.17 176.20 2aof n GLN 61 N -1.10 -5.46 -3.67 8.23 1.13 -1.17 -4.91 117.38 110.43 2aof n GLN 61 Ca -0.08 0.68 -0.36 0.00 -1.94 0.00 0.00 57.00 55.30 2aof n GLN 61 Cb 0.57 -5.38 -0.08 0.00 0.11 0.00 0.00 30.24 25.45 2aof n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2aof s ILE 62 N -3.56 5.37 0.07 5.09 -1.09 -0.00 -4.82 121.20 122.26 2aof s ILE 62 Ca 0.08 0.27 -0.23 0.00 -2.23 0.00 0.00 60.65 58.54 2aof s ILE 62 Cb -0.04 -3.51 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 2aof s ILE 62 CO 0.79 0.40 0.70 -0.63 -1.23 0.00 0.00 174.94 174.98 2aof s ILE 63 N 0.55 4.68 0.03 2.92 1.01 -1.26 -1.54 121.20 127.59 2aof s ILE 63 Ca 0.10 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.26 2aof s ILE 63 Cb -0.12 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 2aof s ILE 63 CO 0.01 0.44 -0.05 -0.51 0.00 0.00 0.00 174.94 174.83 2aof s ILE 64 N -0.50 0.26 -0.14 2.92 2.07 -0.26 -4.51 121.20 121.03 2aof s ILE 64 Ca 0.35 -0.93 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 2aof s ILE 64 Cb -0.20 -0.37 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 2aof s ILE 64 CO 0.22 -0.43 -0.15 -0.70 -1.91 0.00 0.00 174.94 171.96 2aof s GLU 65 N -1.43 3.24 -0.22 3.50 2.12 -0.68 -0.68 118.70 124.54 2aof s GLU 65 Ca -0.13 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.47 2aof s GLU 65 Cb -0.10 -2.60 0.05 0.00 0.26 0.00 0.00 34.13 31.74 2aof s GLU 65 CO -0.00 0.08 -0.12 0.42 -0.54 0.00 0.00 175.26 175.10 2aof s ILE 66 N 0.66 1.89 -1.62 -3.70 1.01 0.91 -0.97 121.20 119.39 2aof s ILE 66 Ca -0.08 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.24 2aof s ILE 66 Cb -0.16 -1.96 0.07 0.00 0.01 0.00 0.00 42.46 40.42 2aof s ILE 66 CO 0.02 0.12 0.29 0.00 0.00 0.00 0.00 174.94 175.37 2aof n ALA 67 N 4.58 -1.75 -0.21 9.38 0.00 -0.44 -0.86 120.51 131.21 2aof n ALA 67 Ca -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2aof n ALA 67 Cb 0.45 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2aof n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aof n GLY 68 N -2.01 1.16 3.40 0.00 0.00 -1.26 -5.03 105.19 101.44 2aof n GLY 68 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2aof n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aof s HIS 69 N -2.70 2.98 0.21 1.61 4.02 -0.04 -5.09 115.29 116.29 2aof s HIS 69 Ca 0.00 -0.62 -0.25 0.00 1.02 0.00 0.00 55.06 55.22 2aof s HIS 69 Cb 0.00 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.58 29.43 2aof s HIS 69 CO 0.00 -0.31 0.80 0.15 1.02 0.00 0.00 174.74 176.40 2aof s LYS 70 N 1.00 4.53 0.19 1.40 3.01 -1.26 -0.06 119.74 128.54 2aof s LYS 70 Ca 0.01 1.15 -0.09 0.00 -1.01 0.00 0.00 55.97 56.02 2aof s LYS 70 Cb -0.15 -3.12 -0.01 0.00 -1.01 0.00 0.00 37.83 33.55 2aof s LYS 70 CO 0.01 0.49 0.32 0.00 0.51 0.00 0.00 175.35 176.67 2aof s ALA 71 N -1.30 0.06 0.02 5.17 0.00 0.14 -4.84 121.76 121.01 2aof s ALA 71 Ca 0.40 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2aof s ALA 71 Cb -0.21 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 2aof s ALA 71 CO 0.25 -0.69 -0.12 -1.50 0.00 0.00 0.00 175.76 173.70 2aof s ILE 72 N -4.00 0.94 -1.31 0.00 2.07 -1.26 -1.11 121.20 116.53 2aof s ILE 72 Ca 0.21 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 2aof s ILE 72 Cb 0.03 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.78 2aof s ILE 72 CO 0.03 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2aof n GLY 73 N 2.21 -1.15 3.74 1.50 0.00 -0.59 -4.91 105.19 105.98 2aof n GLY 73 Ca -0.17 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 2aof n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aof s THR 74 N -3.00 4.12 -0.07 2.61 2.01 -1.26 -0.82 115.64 119.22 2aof s THR 74 Ca 0.00 1.96 0.02 0.00 0.31 0.00 0.00 61.69 63.99 2aof s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2aof s THR 74 CO 0.00 0.40 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 2aof s VAL 75 N -0.69 1.20 -0.11 3.82 1.01 -0.16 -4.49 120.40 120.98 2aof s VAL 75 Ca 0.44 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2aof s VAL 75 Cb -0.26 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2aof s VAL 75 CO 0.33 0.37 0.19 -0.76 0.00 0.00 0.00 175.10 175.23 2aof s LEU 76 N 0.75 4.37 -0.10 3.92 1.43 -0.26 -1.39 118.68 127.40 2aof s LEU 76 Ca -0.13 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2aof s LEU 76 Cb -0.16 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2aof s LEU 76 CO 0.03 0.35 -0.17 -0.69 0.23 0.00 0.00 176.35 176.10 2aof s VAL 77 N -0.78 1.57 -1.53 -1.59 1.01 -0.02 -0.65 120.40 118.40 2aof s VAL 77 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2aof s VAL 77 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2aof s VAL 77 CO 0.05 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2aof n GLY 78 N 3.98 -0.93 2.31 4.51 0.00 -0.56 -0.67 105.19 113.83 2aof n GLY 78 Ca -0.20 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 2aof n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aof n PRO 79 N 0.00 3.55 -2.56 1.61 -0.04 -1.26 -3.58 135.00 132.72 2aof n PRO 79 Ca 0.00 -2.30 -0.38 0.00 -0.04 0.00 0.00 63.50 60.78 2aof n PRO 79 Cb 0.00 -2.59 -0.05 0.00 -0.04 0.00 0.00 33.50 30.83 2aof n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2aof s THR 80 N 0.94 3.70 -0.49 0.52 -1.32 -1.26 -4.93 115.64 112.79 2aof s THR 80 Ca 0.65 1.51 0.24 0.00 -1.21 0.00 0.00 61.69 62.89 2aof s THR 80 Cb 0.22 -3.88 0.26 0.00 -1.51 0.00 0.00 72.50 67.58 2aof s THR 80 CO -0.07 0.21 1.73 -2.65 -2.21 0.00 0.00 174.62 171.63 2aof n PRO 81 N 0.65 0.21 -3.76 7.08 -0.02 -1.26 -4.74 135.00 133.16 2aof n PRO 81 Ca 0.02 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2aof n PRO 81 Cb 0.47 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 2aof n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aof s ALA 82 N -3.30 -0.81 0.10 3.55 0.00 -1.26 -5.13 121.76 114.92 2aof s ALA 82 Ca 0.05 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 2aof s ALA 82 Cb 0.10 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 2aof s ALA 82 CO 0.43 -0.18 1.33 -0.80 0.00 0.00 0.00 175.76 176.55 2aof s ASN 83 N -0.11 6.90 -0.03 0.00 0.01 -1.26 -4.78 114.94 115.66 2aof s ASN 83 Ca -0.03 2.24 0.02 0.00 -0.71 0.00 0.00 52.86 54.38 2aof s ASN 83 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2aof s ASN 83 CO 0.01 -0.60 -0.06 0.27 -1.51 0.00 0.00 177.10 175.21 2aof s ILE 84 N 1.08 0.61 -0.37 0.60 -4.36 0.21 -0.92 121.20 118.05 2aof s ILE 84 Ca 0.63 -0.23 -0.16 0.00 -0.26 0.00 0.00 60.65 60.62 2aof s ILE 84 Cb -0.35 -0.57 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 2aof s ILE 84 CO 0.30 0.21 0.40 -0.63 0.24 0.00 0.00 174.94 175.46 2aof s ILE 85 N 0.44 5.13 0.22 8.37 -1.09 0.07 -1.15 121.20 133.19 2aof s ILE 85 Ca -0.06 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2aof s ILE 85 Cb -0.10 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2aof s ILE 85 CO 0.00 -0.20 0.30 0.61 -1.23 0.00 0.00 174.94 174.42 2aof n GLY 86 N 4.99 1.79 0.24 6.18 0.00 -1.21 -1.19 105.19 115.98 2aof n GLY 86 Ca -0.08 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.86 2aof n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aof h ARG 87 N 0.00 0.00 -0.09 1.61 3.08 -0.77 -0.91 114.38 117.30 2aof h ARG 87 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.97 2aof h ARG 87 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2aof h ARG 87 CO 0.14 0.12 0.08 -2.95 -1.07 0.00 0.00 179.97 176.30 2aof h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.74 -1.96 115.58 117.85 2aof h ASN 88 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.16 2aof h ASN 88 Cb 0.22 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.43 2aof h ASN 88 CO 0.02 0.00 -1.94 0.18 0.07 0.00 0.00 177.43 175.76 2aof n LEU 89 N -4.05 0.00 -0.30 6.14 4.77 -0.72 -4.47 117.00 118.36 2aof n LEU 89 Ca -0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2aof n LEU 89 Cb 0.19 0.28 0.23 0.00 -2.33 0.00 0.00 43.42 41.78 2aof n LEU 89 CO 0.30 0.28 1.25 -0.07 -1.33 0.00 0.00 177.39 177.82 2aof h LEU 90 N 0.00 0.93 -1.03 2.23 3.38 -0.92 -1.82 115.31 118.08 2aof h LEU 90 Ca -0.30 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2aof h LEU 90 Cb 1.63 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2aof h LEU 90 CO 0.02 0.61 0.62 0.71 0.09 0.00 0.00 178.44 180.49 2aof h THR 91 N 1.06 1.25 0.00 0.22 1.35 -1.59 -1.89 112.91 113.31 2aof h THR 91 Ca 0.38 -0.48 -0.05 0.00 -0.55 0.00 0.00 66.41 65.71 2aof h THR 91 Cb 0.13 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 2aof h THR 91 CO -0.13 0.25 -0.23 1.56 -0.25 0.00 0.00 175.52 176.71 2aof h GLN 92 N 1.31 0.00 -0.22 4.72 1.08 -1.56 -1.51 115.11 118.93 2aof h GLN 92 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2aof h GLN 92 Cb -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 2aof h GLN 92 CO -0.07 0.23 0.00 0.44 -0.95 0.00 0.00 178.83 178.48 2aof n ILE 93 N -3.52 0.27 -1.34 2.54 -5.35 -1.07 -4.95 119.36 105.94 2aof n ILE 93 Ca -0.01 -0.48 -0.01 0.00 -0.27 0.00 0.00 62.75 61.98 2aof n ILE 93 Cb 0.39 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 38.97 2aof n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aof n GLY 94 N 1.28 0.42 3.73 3.28 0.00 -0.57 -5.00 105.19 108.33 2aof n GLY 94 Ca 0.17 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2aof n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aof s ALA 95 N -2.04 3.34 0.12 4.61 0.00 -0.73 -5.03 121.76 122.02 2aof s ALA 95 Ca 0.00 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.78 2aof s ALA 95 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2aof s ALA 95 CO 0.00 -0.19 -0.14 0.95 0.00 0.00 0.00 175.76 176.38 2aof s THR 96 N -0.05 1.33 -0.16 0.00 -4.23 -1.26 -4.72 115.64 106.56 2aof s THR 96 Ca 0.50 -1.73 -0.14 0.00 -1.18 0.00 0.00 61.69 59.14 2aof s THR 96 Cb -0.28 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 2aof s THR 96 CO 0.33 -0.42 0.32 -0.22 -0.54 0.00 0.00 174.62 174.09 2aof s LEU 97 N -2.47 4.24 -0.04 4.79 2.96 -1.26 -5.09 118.68 121.81 2aof s LEU 97 Ca 0.09 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.56 2aof s LEU 97 Cb -0.05 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.24 2aof s LEU 97 CO 0.03 0.07 -0.11 0.20 -1.32 0.00 0.00 176.35 175.22 2aof s ASN 98 N 0.55 1.50 0.00 3.68 0.01 -1.26 -5.30 114.94 114.12 2aof s ASN 98 Ca 0.17 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 2aof s ASN 98 Cb -0.13 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.07 2aof s ASN 98 CO 0.05 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.93