#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3a s GLN 2 N 0.00 4.09 -0.21 0.54 0.74 -1.26 -5.09 119.66 118.47 2p3a s GLN 2 Ca 0.00 -0.20 0.02 0.00 0.05 0.00 0.00 55.36 55.23 2p3a s GLN 2 Cb 0.00 -3.39 0.04 0.00 1.10 0.00 0.00 33.01 30.76 2p3a s GLN 2 CO 0.00 0.36 -0.16 0.42 -0.55 0.00 0.00 175.29 175.36 2p3a s ILE 3 N 0.18 2.10 0.91 -2.34 1.01 -1.26 -5.12 121.20 116.68 2p3a s ILE 3 Ca 0.09 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.38 2p3a s ILE 3 Cb -0.11 -2.03 0.16 0.00 0.01 0.00 0.00 42.46 40.50 2p3a s ILE 3 CO -0.01 0.31 1.28 0.42 0.00 0.00 0.00 174.94 176.93 2p3a s THR 4 N 1.22 2.01 -0.14 2.92 -4.23 -1.26 -5.00 115.64 111.15 2p3a s THR 4 Ca -0.01 -0.02 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 2p3a s THR 4 Cb -0.16 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.00 2p3a s THR 4 CO -0.10 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.34 2p3a n LEU 5 N -3.62 2.54 0.05 4.79 4.77 -1.26 -4.54 117.00 119.73 2p3a n LEU 5 Ca 0.13 -3.02 0.03 0.00 -0.03 0.00 0.00 56.01 53.12 2p3a n LEU 5 Cb 0.60 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.66 2p3a n LEU 5 CO 0.49 0.70 1.02 -0.50 -1.33 0.00 0.00 177.39 177.76 2p3a h TRP 6 N 0.25 0.41 -2.47 -1.77 4.06 -2.06 -3.42 115.95 110.95 2p3a h TRP 6 Ca 0.00 -0.02 -0.52 0.00 2.06 0.00 0.00 58.89 60.41 2p3a h TRP 6 Cb 1.03 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.93 2p3a h TRP 6 CO 0.07 0.37 -0.62 0.21 -3.56 0.00 0.00 178.44 174.90 2p3a s LYS 7 N -5.11 1.71 0.17 0.49 2.47 -1.26 -5.10 119.74 113.11 2p3a s LYS 7 Ca -0.07 -1.93 -0.33 0.00 -1.56 0.00 0.00 55.97 52.08 2p3a s LYS 7 Cb 0.16 -1.15 -0.16 0.00 -1.46 0.00 0.00 37.83 35.22 2p3a s LYS 7 CO 0.74 -0.09 1.20 0.54 0.16 0.00 0.00 175.35 177.89 2p3a n ARG 8 N -0.74 1.23 -2.65 4.03 1.74 -1.26 -4.83 116.66 114.18 2p3a n ARG 8 Ca -0.04 0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 57.05 2p3a n ARG 8 Cb 0.66 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2p3a n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2p3a n PRO 9 N 1.86 3.24 -3.24 5.56 -0.04 -1.26 -4.96 135.00 136.15 2p3a n PRO 9 Ca 0.15 -3.41 -0.38 0.00 -0.04 0.00 0.00 63.50 59.82 2p3a n PRO 9 Cb 0.25 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 2p3a n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2p3a s LEU 10 N 3.45 4.49 0.08 1.53 1.43 -1.26 -0.80 118.68 127.60 2p3a s LEU 10 Ca 0.51 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2p3a s LEU 10 Cb 0.03 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 2p3a s LEU 10 CO 0.06 0.22 -0.09 0.68 0.23 0.00 0.00 176.35 177.44 2p3a s VAL 11 N -1.21 0.83 0.33 -1.59 -7.23 0.49 -4.95 120.40 107.07 2p3a s VAL 11 Ca 0.32 -1.54 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 2p3a s VAL 11 Cb -0.19 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 2p3a s VAL 11 CO 0.20 -0.55 0.96 0.42 -0.31 0.00 0.00 175.10 175.82 2p3a s THR 12 N -2.31 4.14 0.12 5.32 -4.23 -1.26 -0.31 115.64 117.11 2p3a s THR 12 Ca 0.03 1.77 0.05 0.00 -1.18 0.00 0.00 61.69 62.35 2p3a s THR 12 Cb -0.04 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2p3a s THR 12 CO -0.00 0.13 -0.12 0.27 -0.54 0.00 0.00 174.62 174.36 2p3a s ILE 13 N -1.61 1.16 -0.14 2.99 -4.36 0.96 -4.54 121.20 115.67 2p3a s ILE 13 Ca 0.51 -1.74 -0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2p3a s ILE 13 Cb -0.19 -1.51 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2p3a s ILE 13 CO 0.25 -0.52 -0.10 -0.75 0.24 0.00 0.00 174.94 174.05 2p3a s LYS 14 N -2.88 1.87 -0.04 0.37 2.20 0.19 -0.74 119.74 120.71 2p3a s LYS 14 Ca 0.09 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.20 2p3a s LYS 14 Cb -0.03 -1.94 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2p3a s LYS 14 CO 0.02 -0.30 0.09 -1.50 -0.36 0.00 0.00 175.35 173.30 2p3a s ILE 15 N 1.58 -0.02 -1.42 5.43 2.07 0.11 -1.06 121.20 127.89 2p3a s ILE 15 Ca 0.04 0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.27 2p3a s ILE 15 Cb -0.13 -0.14 0.06 0.00 0.13 0.00 0.00 42.46 42.37 2p3a s ILE 15 CO -0.09 0.04 0.64 0.61 -1.91 0.00 0.00 174.94 174.23 2p3a n GLY 16 N 3.56 -0.50 2.67 1.50 0.00 -1.26 -0.63 105.19 110.52 2p3a n GLY 16 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2p3a n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3a n GLY 17 N -1.40 0.43 3.52 -0.02 0.00 -1.26 -5.00 105.19 101.46 2p3a n GLY 17 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2p3a n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p3a s GLN 18 N -0.59 2.17 -0.12 1.61 -0.21 0.20 -5.11 119.66 117.60 2p3a s GLN 18 Ca 0.00 -0.95 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 2p3a s GLN 18 Cb 0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 2p3a s GLN 18 CO 0.00 0.54 0.22 -0.51 -2.12 0.00 0.00 175.29 173.42 2p3a s LEU 19 N -1.69 4.34 0.04 2.90 1.43 -1.26 -0.71 118.68 123.72 2p3a s LEU 19 Ca 0.17 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.77 2p3a s LEU 19 Cb -0.11 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 2p3a s LEU 19 CO 0.08 0.29 0.02 -0.54 0.23 0.00 0.00 176.35 176.43 2p3a s LYS 20 N -0.47 0.52 -0.04 1.70 1.02 0.08 -4.98 119.74 117.58 2p3a s LYS 20 Ca 0.16 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 2p3a s LYS 20 Cb -0.13 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2p3a s LYS 20 CO 0.05 -0.11 0.20 -2.00 -0.92 0.00 0.00 175.35 172.57 2p3a s GLU 21 N -2.76 3.49 0.03 1.68 2.12 -1.26 -0.03 118.70 121.97 2p3a s GLU 21 Ca -0.04 -0.18 -0.06 0.00 0.36 0.00 0.00 54.97 55.06 2p3a s GLU 21 Cb -0.00 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2p3a s GLU 21 CO -0.06 0.70 0.11 0.00 -0.54 0.00 0.00 175.26 175.47 2p3a s ALA 22 N -1.23 -0.15 -0.19 6.30 0.00 0.58 -4.40 121.76 122.67 2p3a s ALA 22 Ca 0.24 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 2p3a s ALA 22 Cb -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2p3a s ALA 22 CO 0.14 -0.27 0.51 -1.17 0.00 0.00 0.00 175.76 174.97 2p3a s LEU 23 N -1.84 4.17 -0.29 0.00 2.96 0.93 -0.38 118.68 124.22 2p3a s LEU 23 Ca -0.09 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.23 2p3a s LEU 23 Cb -0.04 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 2p3a s LEU 23 CO -0.02 -0.15 1.44 -0.76 -1.32 0.00 0.00 176.35 175.54 2p3a s LEU 24 N 1.47 3.82 -0.36 -0.68 1.43 0.02 0.32 118.68 124.69 2p3a s LEU 24 Ca 0.24 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 2p3a s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2p3a s LEU 24 CO 0.10 -1.23 0.13 -0.62 0.23 0.00 0.00 176.35 174.96 2p3a s ASP 25 N 3.60 4.17 0.29 2.29 -1.08 0.15 -4.75 116.67 121.34 2p3a s ASP 25 Ca 0.63 -2.10 0.24 0.00 -0.52 0.00 0.00 52.55 50.80 2p3a s ASP 25 Cb -0.19 -1.17 1.05 0.00 -1.46 0.00 0.00 42.92 41.15 2p3a s ASP 25 CO 0.27 -0.36 1.74 0.71 0.52 0.00 0.00 175.17 178.05 2p3a h THR 26 N 6.17 0.00 -0.31 1.71 1.35 -1.93 -1.66 112.91 118.24 2p3a h THR 26 Ca -0.08 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2p3a h THR 26 Cb 0.99 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2p3a h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2p3a n GLY 27 N -0.13 0.57 3.32 5.82 0.00 -1.26 -4.81 105.19 108.69 2p3a n GLY 27 Ca 0.02 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2p3a n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3a s ALA 28 N -1.58 2.76 0.14 4.61 0.00 -0.62 -4.98 121.76 122.08 2p3a s ALA 28 Ca 0.25 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 2p3a s ALA 28 Cb 0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2p3a s ALA 28 CO 0.18 -0.29 1.50 -0.44 0.00 0.00 0.00 175.76 176.72 2p3a h ASP 29 N 7.82 0.94 -1.70 0.00 3.32 -1.87 0.15 116.42 125.07 2p3a h ASP 29 Ca -0.39 -0.42 -0.58 0.00 0.02 0.00 0.00 57.03 55.66 2p3a h ASP 29 Cb 1.17 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 2p3a h ASP 29 CO 0.60 1.15 -0.54 -1.81 -1.72 0.00 0.00 179.24 176.92 2p3a s ASP 30 N -6.67 4.32 -0.19 6.45 1.01 -1.26 -1.90 116.67 118.44 2p3a s ASP 30 Ca -0.12 -1.07 -0.08 0.00 0.71 0.00 0.00 52.55 51.99 2p3a s ASP 30 Cb 0.11 -0.50 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 2p3a s ASP 30 CO 0.86 -0.44 0.08 -0.89 0.21 0.00 0.00 175.17 174.98 2p3a s THR 31 N -2.58 4.90 -0.10 -1.27 2.01 -1.26 -3.03 115.64 114.31 2p3a s THR 31 Ca 0.39 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 2p3a s THR 31 Cb 0.03 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.35 2p3a s THR 31 CO 0.21 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.85 2p3a s VAL 32 N 0.43 0.84 0.11 3.82 1.01 0.21 0.01 120.40 126.83 2p3a s VAL 32 Ca 0.04 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2p3a s VAL 32 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2p3a s VAL 32 CO 0.00 0.34 -0.17 -0.76 0.00 0.00 0.00 175.10 174.51 2p3a s LEU 33 N 1.76 2.74 0.95 3.92 1.43 0.13 0.67 118.68 130.29 2p3a s LEU 33 Ca 0.04 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2p3a s LEU 33 Cb -0.13 -1.58 0.15 0.00 0.03 0.00 0.00 46.19 44.66 2p3a s LEU 33 CO -0.07 0.18 1.02 -0.62 0.23 0.00 0.00 176.35 177.09 2p3a n GLU 34 N 0.80 -0.67 -1.66 1.70 1.02 -1.26 -1.81 120.64 118.76 2p3a n GLU 34 Ca -0.15 -0.14 -0.60 0.00 -0.02 0.00 0.00 57.16 56.25 2p3a n GLU 34 Cb 0.53 -2.28 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 2p3a n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2p3a n GLU 35 N -3.98 0.62 -3.64 3.49 4.07 -1.21 -4.59 120.64 115.39 2p3a n GLU 35 Ca 0.10 0.23 -0.15 0.00 -0.06 0.00 0.00 57.16 57.28 2p3a n GLU 35 Cb 0.53 -1.82 -0.08 0.00 -0.06 0.00 0.00 31.44 30.01 2p3a n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2p3a s MET 36 N 2.17 0.80 -0.48 5.31 0.23 -1.26 -5.06 119.30 121.01 2p3a s MET 36 Ca 0.96 0.40 -0.27 0.00 -1.03 0.00 0.00 55.69 55.75 2p3a s MET 36 Cb -1.21 0.38 -0.02 0.00 -1.53 0.00 0.00 34.83 32.45 2p3a s MET 36 CO 0.65 -0.19 1.83 0.00 -2.03 0.00 0.00 175.02 175.29 2p3a s ALA 37 N -0.56 2.48 0.01 3.16 0.00 -1.26 -4.98 121.76 120.60 2p3a s ALA 37 Ca -0.07 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2p3a s ALA 37 Cb -0.03 -4.17 -0.03 0.00 0.00 0.00 0.00 23.12 18.89 2p3a s ALA 37 CO 0.05 -3.33 -0.04 -0.51 0.00 0.00 0.00 175.76 171.92 2p3a s LEU 38 N 8.13 3.29 0.59 0.00 1.43 -1.26 -4.91 118.68 125.95 2p3a s LEU 38 Ca 0.73 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 2p3a s LEU 38 Cb -0.17 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2p3a s LEU 38 CO 0.27 0.28 1.02 -2.16 0.23 0.00 0.00 176.35 175.99 2p3a s PRO 39 N -1.49 3.65 0.04 1.29 0.04 -1.26 -5.00 135.00 132.27 2p3a s PRO 39 Ca 0.18 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2p3a s PRO 39 Cb -0.11 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2p3a s PRO 39 CO 0.09 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.02 2p3a n GLY 40 N -2.36 -3.45 3.85 0.56 0.00 -1.26 -5.02 105.19 97.52 2p3a n GLY 40 Ca 0.06 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2p3a n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3a s LYS 41 N -0.72 2.08 0.24 1.61 -2.85 -1.26 -5.10 119.74 113.73 2p3a s LYS 41 Ca 0.00 0.39 -0.15 0.00 -1.00 0.00 0.00 55.97 55.21 2p3a s LYS 41 Cb 0.00 -1.94 0.01 0.00 -2.06 0.00 0.00 37.83 33.84 2p3a s LYS 41 CO 0.00 -1.57 0.53 1.67 0.10 0.00 0.00 175.35 176.08 2p3a s TRP 42 N -3.34 0.13 0.00 1.78 1.48 -1.26 -4.72 118.94 113.01 2p3a s TRP 42 Ca 0.61 -0.51 0.06 0.00 -1.06 0.00 0.00 56.10 55.20 2p3a s TRP 42 Cb -0.13 0.33 -0.02 0.00 -1.16 0.00 0.00 33.47 32.50 2p3a s TRP 42 CO 0.52 -1.01 -0.18 0.15 -4.06 0.00 0.00 176.95 172.38 2p3a s LYS 43 N -3.96 1.37 0.27 3.25 -0.14 -0.41 -4.91 119.74 115.21 2p3a s LYS 43 Ca 0.16 -0.71 -0.29 0.00 -1.36 0.00 0.00 55.97 53.77 2p3a s LYS 43 Cb -0.02 -1.36 -0.10 0.00 -1.68 0.00 0.00 37.83 34.68 2p3a s LYS 43 CO 0.05 0.36 1.27 -1.25 -0.76 0.00 0.00 175.35 175.02 2p3a s PRO 44 N -0.65 4.42 0.16 -1.68 0.04 -1.26 0.40 135.00 136.44 2p3a s PRO 44 Ca 0.06 2.08 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 2p3a s PRO 44 Cb -0.07 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 2p3a s PRO 44 CO 0.00 -0.14 0.28 0.50 0.04 0.00 0.00 177.00 177.68 2p3a s ARG 45 N -1.06 1.14 0.00 4.56 3.52 -0.18 -4.86 118.95 122.08 2p3a s ARG 45 Ca 0.51 -1.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2p3a s ARG 45 Cb -0.37 0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 2p3a s ARG 45 CO 0.45 -0.42 -0.13 -1.64 -0.81 0.00 0.00 175.30 172.75 2p3a s MET 46 N -3.96 1.02 0.10 5.12 -1.94 -1.26 -0.22 119.30 118.15 2p3a s MET 46 Ca 0.16 -0.54 0.09 0.00 -1.71 0.00 0.00 55.69 53.69 2p3a s MET 46 Cb 0.03 -1.00 -0.03 0.00 2.01 0.00 0.00 34.83 35.84 2p3a s MET 46 CO -0.01 0.27 -0.24 0.96 -0.01 0.00 0.00 175.02 175.99 2p3a s ILE 47 N -0.45 1.96 -0.03 2.53 -4.36 -0.50 -4.96 121.20 115.39 2p3a s ILE 47 Ca 0.04 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 58.91 2p3a s ILE 47 Cb -0.06 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 2p3a s ILE 47 CO -0.00 0.09 -0.11 -0.83 0.24 0.00 0.00 174.94 174.33 2p3a s GLY 48 N -1.78 1.63 0.00 6.27 0.00 -1.26 -1.32 107.32 110.86 2p3a s GLY 48 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2p3a s GLY 48 CO 0.04 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 172.95 2p3a n GLY 49 N 2.02 5.84 3.69 0.20 0.00 0.04 -5.00 105.19 111.98 2p3a n GLY 49 Ca -0.17 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 2p3a n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2p3a n ILE 50 N 0.00 0.26 0.00 -0.61 2.08 -1.26 -3.93 119.36 115.90 2p3a n ILE 50 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2p3a n ILE 50 Cb 0.00 -1.97 0.00 0.00 -0.75 0.00 0.00 39.64 36.92 2p3a n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2p3a n GLY 51 N 4.06 1.56 1.84 7.39 0.00 -1.26 -4.89 105.19 113.89 2p3a n GLY 51 Ca 0.18 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 2p3a n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3a n GLY 52 N 0.00 3.67 2.69 -0.02 0.00 -1.25 -5.15 105.19 105.12 2p3a n GLY 52 Ca 0.00 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 2p3a n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p3a s PHE 53 N -2.31 0.53 -0.11 1.61 0.40 -1.26 -0.78 117.98 116.07 2p3a s PHE 53 Ca 0.09 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.99 2p3a s PHE 53 Cb 0.00 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 2p3a s PHE 53 CO 0.07 -0.47 0.08 0.14 0.70 0.00 0.00 175.22 175.74 2p3a s VAL 54 N 2.02 4.96 0.23 -0.44 -7.23 -0.44 -4.88 120.40 114.62 2p3a s VAL 54 Ca 0.02 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.90 2p3a s VAL 54 Cb -0.15 -3.14 -0.09 0.00 0.56 0.00 0.00 36.38 33.57 2p3a s VAL 54 CO -0.07 0.61 1.09 -0.54 -0.31 0.00 0.00 175.10 175.87 2p3a s LYS 55 N -0.90 4.63 0.17 4.82 1.02 -1.26 -1.40 119.74 126.82 2p3a s LYS 55 Ca 0.14 1.74 0.01 0.00 0.02 0.00 0.00 55.97 57.88 2p3a s LYS 55 Cb -0.12 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2p3a s LYS 55 CO 0.03 0.16 0.03 0.14 -0.92 0.00 0.00 175.35 174.80 2p3a s VAL 56 N -0.70 0.48 -0.23 3.17 -7.23 0.69 -4.48 120.40 112.10 2p3a s VAL 56 Ca 0.47 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 2p3a s VAL 56 Cb -0.30 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2p3a s VAL 56 CO 0.37 -0.39 0.11 -0.13 -0.31 0.00 0.00 175.10 174.76 2p3a s ARG 57 N -3.98 3.92 -0.28 4.82 0.52 0.79 -1.01 118.95 123.74 2p3a s ARG 57 Ca 0.26 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.95 2p3a s ARG 57 Cb 0.07 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2p3a s ARG 57 CO 0.05 0.03 0.51 -1.14 0.02 0.00 0.00 175.30 174.77 2p3a s GLN 58 N 1.08 3.98 -0.20 3.54 0.74 0.16 -0.57 119.66 128.39 2p3a s GLN 58 Ca 0.06 0.22 -0.05 0.00 0.05 0.00 0.00 55.36 55.64 2p3a s GLN 58 Cb -0.14 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.26 2p3a s GLN 58 CO 0.04 -0.41 0.00 0.71 -0.55 0.00 0.00 175.29 175.08 2p3a s TYR 59 N 2.33 3.05 0.30 1.67 1.51 -0.00 -1.29 117.35 124.91 2p3a s TYR 59 Ca 0.21 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.78 2p3a s TYR 59 Cb -0.16 -2.08 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 2p3a s TYR 59 CO 0.10 -0.22 0.56 -0.51 -1.11 0.00 0.00 175.55 174.37 2p3a s ASP 60 N 0.96 6.45 -1.35 2.29 1.01 -1.26 -0.74 116.67 124.02 2p3a s ASP 60 Ca 0.01 0.73 -0.01 0.00 0.71 0.00 0.00 52.55 54.00 2p3a s ASP 60 Cb -0.14 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.64 2p3a s ASP 60 CO 0.02 -0.21 0.61 0.00 0.21 0.00 0.00 175.17 175.80 2p3a n GLN 61 N -0.97 -4.36 -3.56 8.23 6.02 -1.15 -4.87 117.38 116.71 2p3a n GLN 61 Ca -0.02 0.54 -0.36 0.00 -0.01 0.00 0.00 57.00 57.15 2p3a n GLN 61 Cb 0.54 -4.97 -0.07 0.00 1.02 0.00 0.00 30.24 26.76 2p3a n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2p3a s ILE 62 N -3.75 5.32 0.21 5.09 -1.09 0.70 -4.72 121.20 122.96 2p3a s ILE 62 Ca 0.04 0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.64 2p3a s ILE 62 Cb -0.02 -3.61 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 2p3a s ILE 62 CO 0.84 0.38 1.20 -2.84 -1.23 0.00 0.00 174.94 173.29 2p3a s PRO 63 N 0.57 4.49 -0.18 2.79 0.02 -1.26 -0.99 135.00 140.44 2p3a s PRO 63 Ca 0.15 1.91 -0.09 0.00 0.02 0.00 0.00 61.00 62.98 2p3a s PRO 63 Cb -0.13 -3.22 0.07 0.00 0.02 0.00 0.00 34.50 31.24 2p3a s PRO 63 CO 0.03 -0.07 0.43 -1.50 -0.33 0.00 0.00 177.00 175.56 2p3a s ILE 64 N -0.28 -0.13 -0.27 2.83 2.07 -0.12 -4.31 121.20 121.00 2p3a s ILE 64 Ca 0.52 0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.76 2p3a s ILE 64 Cb -0.33 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 2p3a s ILE 64 CO 0.39 0.04 0.14 -0.70 -1.91 0.00 0.00 174.94 172.90 2p3a s GLU 65 N 1.63 3.85 -0.30 3.50 2.12 -0.22 -1.07 118.70 128.20 2p3a s GLU 65 Ca -0.08 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 54.95 2p3a s GLU 65 Cb -0.09 -3.53 0.48 0.00 0.26 0.00 0.00 34.13 31.25 2p3a s GLU 65 CO -0.13 -0.17 1.42 -0.89 -0.54 0.00 0.00 175.26 174.95 2p3a n ILE 66 N 4.97 2.57 0.00 -3.70 5.41 -1.26 -0.64 119.36 126.71 2p3a n ILE 66 Ca -0.15 -3.08 0.00 0.00 1.00 0.00 0.00 62.75 60.52 2p3a n ILE 66 Cb 0.52 -0.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 2p3a n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2p3a n GLY 68 N -1.05 0.00 3.18 7.39 0.00 -1.26 -4.72 105.19 108.73 2p3a n GLY 68 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 2p3a n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p3a s HIS 69 N 0.00 2.91 -0.09 1.61 4.02 -1.26 -5.08 115.29 117.40 2p3a s HIS 69 Ca 0.00 -1.49 -0.27 0.00 1.02 0.00 0.00 55.06 54.31 2p3a s HIS 69 Cb 0.00 -1.99 -0.02 0.00 -1.02 0.00 0.00 32.58 29.54 2p3a s HIS 69 CO 0.00 -0.73 0.90 0.15 1.02 0.00 0.00 174.74 176.07 2p3a s LYS 70 N 1.33 4.43 0.26 1.40 1.02 -1.26 -4.21 119.74 122.72 2p3a s LYS 70 Ca 0.03 1.20 0.02 0.00 0.02 0.00 0.00 55.97 57.24 2p3a s LYS 70 Cb -0.14 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2p3a s LYS 70 CO -0.08 -0.18 0.13 0.14 -0.92 0.00 0.00 175.35 174.44 2p3a s VAL 71 N 1.56 0.35 -0.09 3.17 -7.23 -0.23 -4.98 120.40 112.95 2p3a s VAL 71 Ca 0.45 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.58 2p3a s VAL 71 Cb -0.18 -2.56 0.05 0.00 0.56 0.00 0.00 36.38 34.24 2p3a s VAL 71 CO 0.19 0.00 0.20 -0.63 -0.31 0.00 0.00 175.10 174.55 2p3a s ILE 72 N -3.78 -0.10 0.00 -0.62 1.01 -1.26 -0.94 121.20 115.51 2p3a s ILE 72 Ca 0.37 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2p3a s ILE 72 Cb 0.07 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2p3a s ILE 72 CO 0.15 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.78 2p3a n GLY 73 N 4.44 1.14 3.73 6.18 0.00 -0.16 -4.81 105.19 115.71 2p3a n GLY 73 Ca -0.22 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2p3a n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3a s THR 74 N -2.40 4.37 -0.06 2.61 2.01 -1.26 -0.21 115.64 120.70 2p3a s THR 74 Ca 0.00 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.03 2p3a s THR 74 Cb 0.00 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2p3a s THR 74 CO 0.00 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.46 2p3a s VAL 75 N -0.13 0.99 -0.11 3.82 1.01 0.08 -4.41 120.40 121.65 2p3a s VAL 75 Ca 0.47 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 2p3a s VAL 75 Cb -0.24 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2p3a s VAL 75 CO 0.31 0.32 0.20 -0.76 0.00 0.00 0.00 175.10 175.17 2p3a s LEU 76 N 0.75 4.37 -0.11 3.92 1.43 0.10 -0.82 118.68 128.31 2p3a s LEU 76 Ca -0.13 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2p3a s LEU 76 Cb -0.15 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2p3a s LEU 76 CO 0.03 0.34 -0.18 -0.69 0.23 0.00 0.00 176.35 176.08 2p3a s VAL 77 N -0.73 1.69 0.00 -1.59 1.01 0.26 0.21 120.40 121.25 2p3a s VAL 77 Ca 0.16 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2p3a s VAL 77 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2p3a s VAL 77 CO 0.05 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2p3a n GLY 78 N 4.05 0.81 2.27 4.51 0.00 -0.75 -0.15 105.19 115.94 2p3a n GLY 78 Ca -0.20 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 2p3a n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p3a n PRO 79 N 0.00 2.81 -3.23 1.61 -0.04 -1.26 -3.30 135.00 131.59 2p3a n PRO 79 Ca 0.00 -1.65 -0.33 0.00 -0.04 0.00 0.00 63.50 61.48 2p3a n PRO 79 Cb 0.00 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 2p3a n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2p3a s THR 80 N 2.03 4.74 -1.78 0.52 -1.32 -1.26 -4.97 115.64 113.60 2p3a s THR 80 Ca 0.62 0.89 0.30 0.00 -1.21 0.00 0.00 61.69 62.29 2p3a s THR 80 Cb 0.20 -3.68 0.59 0.00 -1.51 0.00 0.00 72.50 68.11 2p3a s THR 80 CO -0.04 -0.02 1.98 -0.81 -2.21 0.00 0.00 174.62 173.52 2p3a n PRO 81 N 0.08 0.81 -3.71 7.08 -0.04 -1.26 -4.62 135.00 133.33 2p3a n PRO 81 Ca 0.00 -0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.12 2p3a n PRO 81 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2p3a n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p3a s ALA 82 N -2.33 -1.03 0.02 0.55 0.00 -1.26 -5.09 121.76 112.63 2p3a s ALA 82 Ca 0.35 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 2p3a s ALA 82 Cb 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 2p3a s ALA 82 CO 0.43 -0.26 1.25 -0.80 0.00 0.00 0.00 175.76 176.39 2p3a s ASN 83 N -0.78 7.01 -0.12 0.00 0.01 -1.26 -4.54 114.94 115.25 2p3a s ASN 83 Ca -0.09 2.01 0.02 0.00 -0.71 0.00 0.00 52.86 54.09 2p3a s ASN 83 Cb -0.04 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2p3a s ASN 83 CO 0.04 -0.56 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.27 2p3a s ILE 84 N 1.62 1.64 -0.36 0.60 1.01 0.21 -0.05 121.20 125.87 2p3a s ILE 84 Ca 0.59 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 2p3a s ILE 84 Cb -0.29 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.69 2p3a s ILE 84 CO 0.27 0.47 0.40 -0.63 0.00 0.00 0.00 174.94 175.45 2p3a s ILE 85 N 0.95 5.13 0.61 2.92 -1.09 0.15 -0.62 121.20 129.26 2p3a s ILE 85 Ca -0.06 -0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.35 2p3a s ILE 85 Cb -0.15 -3.89 0.12 0.00 -1.58 0.00 0.00 42.46 36.96 2p3a s ILE 85 CO -0.02 -0.19 0.84 0.61 -1.23 0.00 0.00 174.94 174.95 2p3a n GLY 86 N 4.97 0.67 0.25 6.18 0.00 -1.17 -0.67 105.19 115.42 2p3a n GLY 86 Ca -0.08 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.02 2p3a n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2p3a h ARG 87 N 0.00 0.00 -0.69 1.61 3.08 -0.58 -1.32 114.38 116.48 2p3a h ARG 87 Ca -0.28 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.86 2p3a h ARG 87 Cb 1.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 2p3a h ARG 87 CO 0.30 0.12 0.45 -2.95 -1.07 0.00 0.00 179.97 176.82 2p3a h ASN 88 N 0.00 0.52 0.10 7.04 -1.07 -1.62 -1.00 115.58 119.55 2p3a h ASN 88 Ca -0.00 0.01 -0.36 0.00 0.07 0.00 0.00 56.30 56.02 2p3a h ASN 88 Cb 0.25 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 36.34 2p3a h ASN 88 CO 0.02 0.31 -2.25 0.18 0.07 0.00 0.00 177.43 175.76 2p3a n LEU 89 N -4.48 1.26 0.08 6.14 4.77 -0.90 -4.27 117.00 119.59 2p3a n LEU 89 Ca 0.11 0.06 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 2p3a n LEU 89 Cb 0.33 -0.12 0.34 0.00 -2.33 0.00 0.00 43.42 41.64 2p3a n LEU 89 CO 0.33 0.64 0.86 0.24 -1.33 0.00 0.00 177.39 178.13 2p3a h MET 90 N 0.01 0.31 -0.89 3.23 2.86 -0.88 -1.16 114.93 118.41 2p3a h MET 90 Ca -0.50 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.10 2p3a h MET 90 Cb 2.09 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 33.66 2p3a h MET 90 CO 0.01 0.46 0.58 1.79 1.06 0.00 0.00 176.91 180.81 2p3a h THR 91 N 0.30 1.15 0.00 2.22 1.35 -1.39 0.25 112.91 116.78 2p3a h THR 91 Ca 0.06 -0.39 -0.07 0.00 -0.55 0.00 0.00 66.41 65.46 2p3a h THR 91 Cb 0.43 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.77 2p3a h THR 91 CO 0.03 0.20 -0.35 1.56 -0.25 0.00 0.00 175.52 176.71 2p3a h GLN 92 N 1.12 0.00 -0.02 4.72 7.50 -1.40 -1.54 115.11 125.49 2p3a h GLN 92 Ca 0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.51 2p3a h GLN 92 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2p3a h GLN 92 CO -0.12 0.35 -0.02 0.44 -1.50 0.00 0.00 178.83 177.98 2p3a n ILE 93 N -4.11 0.00 -1.67 2.54 -5.35 -0.91 -4.92 119.36 104.94 2p3a n ILE 93 Ca -0.02 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2p3a n ILE 93 Cb 0.39 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 2p3a n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p3a n GLY 94 N 1.21 0.51 3.75 3.28 0.00 -0.50 -5.00 105.19 108.43 2p3a n GLY 94 Ca 0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2p3a n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3a s THR 96 N -0.15 0.97 0.11 0.00 -4.23 -1.26 -4.74 115.64 106.33 2p3a s THR 96 Ca 0.59 -1.40 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 2p3a s THR 96 Cb -0.44 -1.11 -0.07 0.00 1.34 0.00 0.00 72.50 72.22 2p3a s THR 96 CO 0.46 -0.38 0.57 -0.76 -0.54 0.00 0.00 174.62 173.98 2p3a s LEU 97 N -1.99 4.45 -0.04 4.79 1.43 -1.26 -5.07 118.68 121.00 2p3a s LEU 97 Ca -0.00 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2p3a s LEU 97 Cb -0.07 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 43.11 2p3a s LEU 97 CO 0.01 0.20 0.09 0.20 0.23 0.00 0.00 176.35 177.09 2p3a s ASN 98 N -1.34 -0.06 0.00 2.29 -0.87 -1.26 -5.28 114.94 108.42 2p3a s ASN 98 Ca 0.33 0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.80 2p3a s ASN 98 Cb -0.18 0.13 0.00 0.00 -0.02 0.00 0.00 41.25 41.18 2p3a s ASN 98 CO 0.19 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.86