#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3b s GLN 2 N 0.00 3.85 -0.24 0.54 0.74 -1.26 -5.09 119.66 118.20 2p3b s GLN 2 Ca 0.00 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.01 2p3b s GLN 2 Cb 0.00 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.89 2p3b s GLN 2 CO 0.00 0.10 -0.10 0.42 -0.55 0.00 0.00 175.29 175.16 2p3b s ILE 3 N 0.83 2.53 0.88 -2.34 1.01 -1.26 -5.12 121.20 117.74 2p3b s ILE 3 Ca 0.04 -1.14 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 2p3b s ILE 3 Cb -0.14 -2.28 0.12 0.00 0.01 0.00 0.00 42.46 40.17 2p3b s ILE 3 CO 0.02 0.23 1.15 0.42 0.00 0.00 0.00 174.94 176.76 2p3b s THR 4 N 1.27 2.01 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.17 2p3b s THR 4 Ca -0.01 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.69 2p3b s THR 4 Cb -0.17 -2.82 0.32 0.00 1.34 0.00 0.00 72.50 71.18 2p3b s THR 4 CO -0.07 -0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.37 2p3b n LEU 5 N -3.64 2.53 0.08 4.79 4.77 -1.26 -4.57 117.00 119.69 2p3b n LEU 5 Ca 0.07 -3.15 0.05 0.00 -0.03 0.00 0.00 56.01 52.95 2p3b n LEU 5 Cb 0.60 -0.45 0.48 0.00 -2.33 0.00 0.00 43.42 41.72 2p3b n LEU 5 CO 0.57 0.76 1.12 -0.50 -1.33 0.00 0.00 177.39 178.01 2p3b h TRP 6 N 0.24 0.36 -2.66 -1.77 4.06 -2.06 -3.43 115.95 110.69 2p3b h TRP 6 Ca 0.00 0.01 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 2p3b h TRP 6 Cb 1.05 -0.12 -0.16 0.00 -1.00 0.00 0.00 29.16 28.93 2p3b h TRP 6 CO 0.11 0.24 -0.78 0.21 -3.56 0.00 0.00 178.44 174.66 2p3b s LYS 7 N -5.33 1.57 0.13 0.49 2.47 -1.26 -5.10 119.74 112.71 2p3b s LYS 7 Ca -0.07 -1.65 -0.35 0.00 -1.56 0.00 0.00 55.97 52.34 2p3b s LYS 7 Cb 0.17 -1.70 -0.15 0.00 -1.46 0.00 0.00 37.83 34.69 2p3b s LYS 7 CO 0.72 0.33 1.51 0.54 0.16 0.00 0.00 175.35 178.61 2p3b n ARG 8 N -0.25 1.82 -2.21 4.03 1.74 -1.26 -4.85 116.66 115.68 2p3b n ARG 8 Ca -0.08 0.66 -0.37 0.00 -0.77 0.00 0.00 57.85 57.29 2p3b n ARG 8 Cb 0.59 -2.39 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 2p3b n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2p3b n PRO 9 N 3.22 2.39 -3.41 5.56 -0.04 -1.26 -4.95 135.00 136.51 2p3b n PRO 9 Ca 0.18 -2.80 -0.38 0.00 -0.04 0.00 0.00 63.50 60.46 2p3b n PRO 9 Cb 0.26 -3.54 -0.06 0.00 -0.04 0.00 0.00 33.50 30.11 2p3b n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2p3b s LEU 10 N 6.76 4.36 0.23 1.53 1.43 -1.26 -1.05 118.68 130.68 2p3b s LEU 10 Ca 0.60 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 2p3b s LEU 10 Cb 0.03 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2p3b s LEU 10 CO 0.10 0.15 -0.03 0.68 0.23 0.00 0.00 176.35 177.48 2p3b s VAL 11 N -0.14 1.17 0.08 -1.59 -7.23 0.25 -4.92 120.40 108.02 2p3b s VAL 11 Ca 0.24 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2p3b s VAL 11 Cb -0.16 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2p3b s VAL 11 CO 0.11 -0.38 0.96 -0.89 -0.31 0.00 0.00 175.10 174.59 2p3b s THR 12 N -3.33 4.60 0.12 5.32 2.01 -1.26 -0.89 115.64 122.20 2p3b s THR 12 Ca 0.27 2.06 0.09 0.00 0.31 0.00 0.00 61.69 64.42 2p3b s THR 12 Cb 0.05 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2p3b s THR 12 CO 0.08 0.28 -0.21 0.27 -0.69 0.00 0.00 174.62 174.35 2p3b s ILE 13 N 0.25 1.79 -0.10 1.82 -4.36 0.20 -1.13 121.20 119.67 2p3b s ILE 13 Ca 0.48 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 59.26 2p3b s ILE 13 Cb -0.23 -1.66 0.01 0.00 1.25 0.00 0.00 42.46 41.84 2p3b s ILE 13 CO 0.29 -0.10 -0.19 -0.75 0.24 0.00 0.00 174.94 174.44 2p3b s LYS 14 N -2.10 2.52 -0.17 0.37 2.20 0.02 -0.82 119.74 121.77 2p3b s LYS 14 Ca 0.09 -0.69 -0.09 0.00 -0.36 0.00 0.00 55.97 54.92 2p3b s LYS 14 Cb -0.09 -2.01 0.06 0.00 -1.51 0.00 0.00 37.83 34.28 2p3b s LYS 14 CO 0.05 0.05 0.40 -1.50 -0.36 0.00 0.00 175.35 174.00 2p3b s ILE 15 N 0.65 -0.07 -1.49 5.43 2.07 -0.06 -1.06 121.20 126.68 2p3b s ILE 15 Ca -0.13 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.15 2p3b s ILE 15 Cb -0.16 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 41.83 2p3b s ILE 15 CO 0.03 0.04 0.81 0.61 -1.91 0.00 0.00 174.94 174.53 2p3b n GLY 16 N 4.34 -0.53 3.11 1.50 0.00 -1.26 -1.00 105.19 111.34 2p3b n GLY 16 Ca -0.22 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2p3b n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3b n GLY 17 N -1.69 0.63 3.49 -0.02 0.00 -1.26 -5.02 105.19 101.32 2p3b n GLY 17 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2p3b n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p3b s GLN 18 N -0.36 1.95 -0.23 1.61 -0.21 -0.17 -5.11 119.66 117.14 2p3b s GLN 18 Ca 0.00 -1.08 -0.10 0.00 0.02 0.00 0.00 55.36 54.21 2p3b s GLN 18 Cb 0.00 -2.18 -0.05 0.00 1.00 0.00 0.00 33.01 31.79 2p3b s GLN 18 CO 0.00 0.51 0.13 -0.51 -2.12 0.00 0.00 175.29 173.30 2p3b s LEU 19 N -1.88 4.02 0.22 2.90 1.43 -1.26 -0.88 118.68 123.23 2p3b s LEU 19 Ca 0.17 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2p3b s LEU 19 Cb -0.11 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2p3b s LEU 19 CO 0.09 0.09 0.07 -0.54 0.23 0.00 0.00 176.35 176.28 2p3b s LYS 20 N 0.90 1.26 -0.08 1.70 1.02 0.00 -5.00 119.74 119.55 2p3b s LYS 20 Ca 0.07 -1.66 -0.00 0.00 0.02 0.00 0.00 55.97 54.40 2p3b s LYS 20 Cb -0.13 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.96 2p3b s LYS 20 CO 0.03 -0.25 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.95 2p3b s GLU 21 N -4.01 2.87 0.01 1.68 2.02 -1.26 -0.63 118.70 119.39 2p3b s GLU 21 Ca 0.33 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 2p3b s GLU 21 Cb 0.07 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 2p3b s GLU 21 CO 0.10 0.64 -0.00 0.00 0.02 0.00 0.00 175.26 176.01 2p3b s ALA 22 N -0.74 0.04 -0.05 5.21 0.00 -0.07 -4.44 121.76 121.71 2p3b s ALA 22 Ca 0.11 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 2p3b s ALA 22 Cb -0.11 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2p3b s ALA 22 CO 0.02 -0.14 0.69 -1.17 0.00 0.00 0.00 175.76 175.16 2p3b s LEU 23 N -1.20 4.34 -0.39 0.00 2.96 -0.09 -0.58 118.68 123.72 2p3b s LEU 23 Ca -0.13 1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.69 2p3b s LEU 23 Cb -0.08 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.56 2p3b s LEU 23 CO -0.01 -0.08 1.09 -0.76 -1.32 0.00 0.00 176.35 175.27 2p3b s LEU 24 N 0.63 3.81 -0.31 -0.68 1.43 -0.21 -0.34 118.68 123.01 2p3b s LEU 24 Ca 0.37 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 2p3b s LEU 24 Cb -0.18 -3.52 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2p3b s LEU 24 CO 0.18 -1.04 0.06 -0.62 0.23 0.00 0.00 176.35 175.16 2p3b s ASP 25 N 2.02 4.24 0.45 2.29 2.15 -0.27 -4.83 116.67 122.72 2p3b s ASP 25 Ca 0.46 -1.74 0.31 0.00 0.43 0.00 0.00 52.55 52.00 2p3b s ASP 25 Cb -0.10 -1.18 1.29 0.00 -0.30 0.00 0.00 42.92 42.63 2p3b s ASP 25 CO 0.23 -0.37 1.90 0.71 -0.17 0.00 0.00 175.17 177.47 2p3b h THR 26 N 6.56 0.00 -0.03 1.71 1.35 -1.94 -2.76 112.91 117.79 2p3b h THR 26 Ca -0.11 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2p3b h THR 26 Cb 1.03 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2p3b h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2p3b n GLY 27 N -0.07 -0.35 3.52 5.82 0.00 -1.26 -4.83 105.19 108.02 2p3b n GLY 27 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2p3b n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3b s ALA 28 N -1.97 3.27 0.19 4.61 0.00 -1.04 -4.98 121.76 121.84 2p3b s ALA 28 Ca 0.39 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 2p3b s ALA 28 Cb 0.20 -2.06 0.10 0.00 0.00 0.00 0.00 23.12 21.36 2p3b s ALA 28 CO 0.32 -0.27 1.75 -0.44 0.00 0.00 0.00 175.76 177.13 2p3b h ASP 29 N 7.73 0.90 -1.73 0.00 3.32 -1.88 0.51 116.42 125.27 2p3b h ASP 29 Ca -0.37 -0.16 -0.61 0.00 0.02 0.00 0.00 57.03 55.91 2p3b h ASP 29 Cb 1.18 -0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.38 2p3b h ASP 29 CO 0.61 0.81 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.54 2p3b s ASP 30 N -6.14 4.02 -0.24 6.45 1.01 -1.26 -2.92 116.67 117.59 2p3b s ASP 30 Ca -0.13 -1.23 -0.12 0.00 0.71 0.00 0.00 52.55 51.79 2p3b s ASP 30 Cb 0.14 -0.43 -0.05 0.00 1.01 0.00 0.00 42.92 43.59 2p3b s ASP 30 CO 0.80 -0.40 0.23 -0.89 0.21 0.00 0.00 175.17 175.12 2p3b s THR 31 N -2.64 5.31 -0.10 -1.27 2.01 -1.26 -3.16 115.64 114.52 2p3b s THR 31 Ca 0.36 0.32 -0.00 0.00 0.31 0.00 0.00 61.69 62.68 2p3b s THR 31 Cb 0.06 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2p3b s THR 31 CO 0.19 0.30 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 2p3b s VAL 32 N 1.25 0.92 0.08 3.82 1.01 0.10 -0.48 120.40 127.10 2p3b s VAL 32 Ca 0.11 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2p3b s VAL 32 Cb -0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2p3b s VAL 32 CO 0.06 0.35 -0.13 -0.76 0.00 0.00 0.00 175.10 174.61 2p3b s LEU 33 N 1.64 2.87 1.05 3.92 1.43 0.50 0.45 118.68 130.54 2p3b s LEU 33 Ca 0.03 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 2p3b s LEU 33 Cb -0.13 -1.69 0.19 0.00 0.03 0.00 0.00 46.19 44.60 2p3b s LEU 33 CO -0.07 0.21 0.90 -0.62 0.23 0.00 0.00 176.35 177.01 2p3b n GLU 34 N 1.07 -1.42 -1.63 1.70 1.02 -1.26 -1.71 120.64 118.41 2p3b n GLU 34 Ca -0.15 -0.37 -0.53 0.00 -0.02 0.00 0.00 57.16 56.09 2p3b n GLU 34 Cb 0.52 -2.17 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 2p3b n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2p3b n GLU 35 N -4.08 1.24 -3.60 3.49 4.07 -1.20 -4.48 120.64 116.08 2p3b n GLU 35 Ca 0.06 0.45 -0.10 0.00 -0.06 0.00 0.00 57.16 57.51 2p3b n GLU 35 Cb 0.54 -2.12 -0.03 0.00 -0.06 0.00 0.00 31.44 29.78 2p3b n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2p3b s MET 36 N 1.39 1.39 -0.22 5.31 0.23 -1.26 -5.05 119.30 121.10 2p3b s MET 36 Ca 0.88 -0.69 -0.21 0.00 -1.03 0.00 0.00 55.69 54.65 2p3b s MET 36 Cb -0.96 0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 32.89 2p3b s MET 36 CO 0.51 -0.61 0.64 0.45 -2.03 0.00 0.00 175.02 173.98 2p3b s SER 37 N -2.82 6.65 -0.09 -1.18 0.15 -1.26 -5.05 113.70 110.11 2p3b s SER 37 Ca 0.05 0.80 0.03 0.00 0.70 0.00 0.00 55.95 57.53 2p3b s SER 37 Cb -0.02 -2.35 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2p3b s SER 37 CO -0.06 -0.31 -0.19 -0.76 1.20 0.00 0.00 173.24 173.11 2p3b s LEU 38 N 2.14 2.39 0.44 3.45 1.43 -1.26 -5.00 118.68 122.28 2p3b s LEU 38 Ca 0.28 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.71 2p3b s LEU 38 Cb -0.16 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.49 2p3b s LEU 38 CO 0.10 0.21 1.43 -2.16 0.23 0.00 0.00 176.35 176.16 2p3b s PRO 39 N 0.04 3.72 0.00 1.29 0.04 -1.26 -4.93 135.00 133.90 2p3b s PRO 39 Ca -0.07 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2p3b s PRO 39 Cb -0.15 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2p3b s PRO 39 CO 0.05 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.71 2p3b n GLY 40 N 0.57 2.43 3.82 0.56 0.00 -1.26 -5.06 105.19 106.23 2p3b n GLY 40 Ca 0.05 -2.14 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 2p3b n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2p3b s ARG 41 N -1.89 2.62 0.12 1.61 1.70 -1.26 -5.10 118.95 116.76 2p3b s ARG 41 Ca 0.00 0.81 -0.13 0.00 -0.47 0.00 0.00 55.73 55.95 2p3b s ARG 41 Cb 0.00 -1.97 0.02 0.00 -0.57 0.00 0.00 34.95 32.43 2p3b s ARG 41 CO 0.00 -1.29 0.33 1.67 -1.08 0.00 0.00 175.30 174.93 2p3b s TRP 42 N -3.10 -0.00 -0.04 5.89 1.48 -1.26 -4.74 118.94 117.17 2p3b s TRP 42 Ca 0.59 -0.36 0.07 0.00 -1.06 0.00 0.00 56.10 55.34 2p3b s TRP 42 Cb -0.14 0.13 -0.02 0.00 -1.16 0.00 0.00 33.47 32.28 2p3b s TRP 42 CO 0.55 -0.67 -0.25 0.15 -4.06 0.00 0.00 176.95 172.66 2p3b s LYS 43 N -3.85 2.31 0.50 3.25 1.02 -0.96 -4.92 119.74 117.09 2p3b s LYS 43 Ca 0.06 -0.91 -0.23 0.00 0.02 0.00 0.00 55.97 54.91 2p3b s LYS 43 Cb 0.03 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2p3b s LYS 43 CO -0.09 0.49 1.29 -1.25 -0.92 0.00 0.00 175.35 174.86 2p3b s PRO 44 N -0.42 3.45 0.03 -1.68 0.04 -1.26 -0.60 135.00 134.55 2p3b s PRO 44 Ca 0.04 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 2p3b s PRO 44 Cb -0.12 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.09 2p3b s PRO 44 CO 0.01 -0.89 0.41 0.21 0.04 0.00 0.00 177.00 176.77 2p3b s LYS 45 N -2.76 0.88 -0.05 4.56 2.20 -0.82 -4.86 119.74 118.89 2p3b s LYS 45 Ca 0.67 -0.29 0.04 0.00 -0.36 0.00 0.00 55.97 56.03 2p3b s LYS 45 Cb -0.36 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2p3b s LYS 45 CO 0.44 -0.29 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.32 2p3b s MET 46 N -2.18 2.49 0.09 4.03 -1.94 -1.26 -0.74 119.30 119.78 2p3b s MET 46 Ca -0.07 -0.76 0.07 0.00 -1.71 0.00 0.00 55.69 53.22 2p3b s MET 46 Cb -0.02 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 2p3b s MET 46 CO -0.00 0.56 -0.17 0.96 -0.01 0.00 0.00 175.02 176.36 2p3b s ILE 47 N -0.59 1.40 0.24 2.53 -4.36 -0.43 -4.98 121.20 115.02 2p3b s ILE 47 Ca 0.08 -1.42 0.10 0.00 -0.26 0.00 0.00 60.65 59.15 2p3b s ILE 47 Cb -0.11 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.25 2p3b s ILE 47 CO 0.01 -0.15 -0.10 -0.83 0.24 0.00 0.00 174.94 174.11 2p3b s GLY 48 N -1.83 1.74 0.00 6.27 0.00 -1.26 -1.10 107.32 111.14 2p3b s GLY 48 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2p3b s GLY 48 CO 0.03 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 172.01 2p3b n GLY 49 N -0.51 3.18 3.73 0.20 0.00 0.45 -4.99 105.19 107.25 2p3b n GLY 49 Ca -0.08 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 2p3b n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p3b s ILE 50 N -2.82 2.40 0.00 -0.61 1.09 -1.26 -2.60 121.20 117.40 2p3b s ILE 50 Ca 0.00 0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.85 2p3b s ILE 50 Cb 0.00 -3.19 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 2p3b s ILE 50 CO 0.00 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 2p3b n GLY 51 N 3.28 1.79 0.00 6.18 0.00 -1.26 -4.93 105.19 110.25 2p3b n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2p3b n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3b n GLY 52 N -2.00 0.86 3.21 -0.02 0.00 -1.07 -5.10 105.19 101.06 2p3b n GLY 52 Ca 0.00 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 2p3b n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p3b s PHE 53 N -2.60 2.20 0.20 1.61 0.40 -1.26 -0.41 117.98 118.12 2p3b s PHE 53 Ca 0.00 -0.71 0.09 0.00 -0.60 0.00 0.00 56.93 55.71 2p3b s PHE 53 Cb 0.00 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 2p3b s PHE 53 CO 0.00 -0.25 -0.07 0.96 0.70 0.00 0.00 175.22 176.56 2p3b s ILE 54 N 0.04 3.26 -0.04 0.64 -4.36 -0.26 -4.95 121.20 115.52 2p3b s ILE 54 Ca -0.07 -1.71 -0.17 0.00 -0.26 0.00 0.00 60.65 58.43 2p3b s ILE 54 Cb -0.14 -2.64 -0.05 0.00 1.25 0.00 0.00 42.46 40.87 2p3b s ILE 54 CO 0.04 -0.17 0.47 -0.54 0.24 0.00 0.00 174.94 174.98 2p3b s LYS 55 N -3.02 4.16 0.24 0.37 1.02 -1.26 -1.31 119.74 119.93 2p3b s LYS 55 Ca 0.26 0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2p3b s LYS 55 Cb -0.08 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2p3b s LYS 55 CO 0.16 0.44 0.04 0.14 -0.92 0.00 0.00 175.35 175.21 2p3b s VAL 56 N -0.31 0.80 -0.17 3.17 -7.23 0.08 -4.54 120.40 112.19 2p3b s VAL 56 Ca 0.26 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2p3b s VAL 56 Cb -0.16 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2p3b s VAL 56 CO 0.13 -0.20 0.05 -0.13 -0.31 0.00 0.00 175.10 174.64 2p3b s ARG 57 N -3.94 3.91 -0.23 4.82 0.52 0.68 -1.95 118.95 122.76 2p3b s ARG 57 Ca 0.32 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 2p3b s ARG 57 Cb 0.07 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 2p3b s ARG 57 CO 0.10 0.30 0.20 -1.14 0.02 0.00 0.00 175.30 174.78 2p3b s GLN 58 N 0.29 4.10 -0.12 3.54 0.74 0.23 -0.32 119.66 128.12 2p3b s GLN 58 Ca 0.03 -0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.26 2p3b s GLN 58 Cb -0.12 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.44 2p3b s GLN 58 CO 0.00 0.06 -0.15 0.71 -0.55 0.00 0.00 175.29 175.36 2p3b s TYR 59 N 1.06 2.76 0.29 1.67 1.51 -0.29 -2.27 117.35 122.07 2p3b s TYR 59 Ca 0.10 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2p3b s TYR 59 Cb -0.14 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2p3b s TYR 59 CO 0.05 -0.24 0.49 -0.51 -1.11 0.00 0.00 175.55 174.23 2p3b s ASP 60 N 0.31 6.34 -1.33 2.29 -0.00 -1.26 -0.94 116.67 122.07 2p3b s ASP 60 Ca -0.12 0.42 -0.02 0.00 -0.00 0.00 0.00 52.55 52.83 2p3b s ASP 60 Cb -0.16 -2.02 -0.00 0.00 -0.00 0.00 0.00 42.92 40.74 2p3b s ASP 60 CO 0.06 -0.20 0.58 0.00 -0.00 0.00 0.00 175.17 175.62 2p3b n GLN 61 N -1.38 -3.83 -3.77 8.23 6.02 -1.10 -4.90 117.38 116.66 2p3b n GLN 61 Ca -0.05 0.51 -0.36 0.00 -0.01 0.00 0.00 57.00 57.09 2p3b n GLN 61 Cb 0.55 -4.80 -0.07 0.00 1.02 0.00 0.00 30.24 26.95 2p3b n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2p3b s ILE 62 N -3.78 5.43 -0.07 5.09 -1.09 0.23 -4.78 121.20 122.22 2p3b s ILE 62 Ca 0.05 0.26 -0.26 0.00 -2.23 0.00 0.00 60.65 58.47 2p3b s ILE 62 Cb -0.02 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2p3b s ILE 62 CO 0.85 0.52 0.82 -0.22 -1.23 0.00 0.00 174.94 175.68 2p3b s LEU 63 N -0.31 4.30 -0.03 2.97 2.96 -1.26 -0.81 118.68 126.51 2p3b s LEU 63 Ca 0.13 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2p3b s LEU 63 Cb -0.12 -3.28 0.03 0.00 0.50 0.00 0.00 46.19 43.32 2p3b s LEU 63 CO 0.02 -0.22 0.01 -0.51 -1.32 0.00 0.00 176.35 174.33 2p3b s ILE 64 N 1.16 0.10 -0.32 6.68 2.07 -0.25 -4.53 121.20 126.11 2p3b s ILE 64 Ca 0.43 0.14 -0.13 0.00 -1.41 0.00 0.00 60.65 59.68 2p3b s ILE 64 Cb -0.19 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 2p3b s ILE 64 CO 0.20 0.14 0.25 -0.70 -1.91 0.00 0.00 174.94 172.92 2p3b s GLU 65 N 1.14 3.67 -0.40 3.50 2.12 -0.22 -1.29 118.70 127.22 2p3b s GLU 65 Ca -0.08 -0.48 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 2p3b s GLU 65 Cb -0.13 -3.75 0.09 0.00 0.26 0.00 0.00 34.13 30.59 2p3b s GLU 65 CO -0.02 -0.36 0.21 0.42 -0.54 0.00 0.00 175.26 174.96 2p3b s ILE 66 N 1.79 3.76 -1.33 -3.70 1.01 -0.16 -0.80 121.20 121.79 2p3b s ILE 66 Ca 0.08 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.05 2p3b s ILE 66 Cb -0.17 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.94 2p3b s ILE 66 CO 0.11 -0.51 1.14 0.00 0.00 0.00 0.00 174.94 175.68 2p3b n GLY 68 N -1.82 2.00 3.56 0.00 0.00 -1.26 -5.00 105.19 102.67 2p3b n GLY 68 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2p3b n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p3b s HIS 69 N -3.35 3.19 0.17 1.61 4.02 -0.74 -5.08 115.29 115.11 2p3b s HIS 69 Ca 0.00 0.01 -0.30 0.00 1.02 0.00 0.00 55.06 55.79 2p3b s HIS 69 Cb 0.00 -2.35 -0.07 0.00 -1.02 0.00 0.00 32.58 29.14 2p3b s HIS 69 CO 0.00 -0.20 0.99 0.15 1.02 0.00 0.00 174.74 176.70 2p3b s LYS 70 N 1.73 4.72 0.03 1.40 1.02 -1.26 -0.99 119.74 126.40 2p3b s LYS 70 Ca 0.07 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.59 2p3b s LYS 70 Cb -0.16 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2p3b s LYS 70 CO 0.10 0.28 -0.04 0.00 -0.92 0.00 0.00 175.35 174.77 2p3b s ALA 71 N -0.45 0.27 -0.08 5.17 0.00 -0.41 -4.92 121.76 121.34 2p3b s ALA 71 Ca 0.46 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2p3b s ALA 71 Cb -0.26 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2p3b s ALA 71 CO 0.32 -0.19 -0.21 0.42 0.00 0.00 0.00 175.76 176.10 2p3b s ILE 72 N -2.05 1.80 0.09 0.00 1.01 -1.26 -1.09 121.20 119.71 2p3b s ILE 72 Ca -0.10 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 2p3b s ILE 72 Cb -0.06 -1.56 0.07 0.00 0.01 0.00 0.00 42.46 40.92 2p3b s ILE 72 CO -0.03 0.50 0.96 0.61 0.00 0.00 0.00 174.94 176.98 2p3b n GLY 73 N 3.50 0.54 3.71 6.18 0.00 0.01 -4.87 105.19 114.26 2p3b n GLY 73 Ca -0.20 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2p3b n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3b s THR 74 N -2.10 4.83 -0.07 2.61 2.01 -1.26 -0.60 115.64 121.06 2p3b s THR 74 Ca 0.22 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.29 2p3b s THR 74 Cb -0.02 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2p3b s THR 74 CO 0.03 0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 2p3b s VAL 75 N 0.98 1.47 -0.06 3.82 1.01 -0.12 -4.50 120.40 123.00 2p3b s VAL 75 Ca 0.52 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 2p3b s VAL 75 Cb -0.21 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2p3b s VAL 75 CO 0.28 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 175.22 2p3b s LEU 76 N 0.38 4.38 -0.06 3.92 1.43 0.37 -1.14 118.68 127.97 2p3b s LEU 76 Ca -0.12 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2p3b s LEU 76 Cb -0.15 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2p3b s LEU 76 CO 0.05 0.33 -0.13 -0.69 0.23 0.00 0.00 176.35 176.13 2p3b s VAL 77 N -1.18 1.20 -0.32 -1.59 1.01 0.57 -0.37 120.40 119.71 2p3b s VAL 77 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2p3b s VAL 77 Cb -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2p3b s VAL 77 CO 0.12 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2p3b n GLY 78 N 3.60 -1.25 2.77 4.51 0.00 -0.69 -0.23 105.19 113.90 2p3b n GLY 78 Ca -0.21 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 2p3b n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2p3b n PRO 79 N -0.00 2.93 -4.22 1.61 -0.05 -1.26 -3.20 135.00 130.80 2p3b n PRO 79 Ca 0.00 -2.71 -0.33 0.00 -0.05 0.00 0.00 63.50 60.41 2p3b n PRO 79 Cb 0.00 -3.26 -0.08 0.00 -0.05 0.00 0.00 33.50 30.10 2p3b n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 2p3b s THR 80 N 2.97 4.38 -1.09 0.52 -1.32 -1.26 -5.01 115.64 114.84 2p3b s THR 80 Ca 0.47 -0.49 0.26 0.00 -1.21 0.00 0.00 61.69 60.71 2p3b s THR 80 Cb 0.13 -2.96 0.27 0.00 -1.51 0.00 0.00 72.50 68.43 2p3b s THR 80 CO -0.08 0.39 1.84 -0.81 -2.21 0.00 0.00 174.62 173.76 2p3b n PRO 81 N 1.40 0.08 -3.76 7.08 -0.04 -1.26 -4.61 135.00 133.89 2p3b n PRO 81 Ca -0.14 0.05 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 2p3b n PRO 81 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2p3b n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p3b s VAL 82 N -2.91 0.01 0.09 0.52 0.11 -1.26 -5.07 120.40 111.89 2p3b s VAL 82 Ca 0.15 -0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.81 2p3b s VAL 82 Cb 0.17 -0.49 -0.07 0.00 -1.53 0.00 0.00 36.38 34.46 2p3b s VAL 82 CO 0.46 -0.05 1.26 0.20 -3.33 0.00 0.00 175.10 173.64 2p3b s ASN 83 N -0.10 6.99 -0.19 3.54 0.01 -1.26 -4.63 114.94 119.30 2p3b s ASN 83 Ca -0.02 2.15 0.01 0.00 -0.71 0.00 0.00 52.86 54.28 2p3b s ASN 83 Cb -0.03 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.08 2p3b s ASN 83 CO 0.01 -0.52 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.33 2p3b s ILE 84 N 0.94 1.73 -0.34 0.60 1.01 0.17 -0.91 121.20 124.40 2p3b s ILE 84 Ca 0.60 -0.99 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2p3b s ILE 84 Cb -0.32 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.41 2p3b s ILE 84 CO 0.30 0.25 0.85 -0.63 0.00 0.00 0.00 174.94 175.71 2p3b s ILE 85 N 1.37 4.70 0.35 2.92 -1.09 0.54 -0.72 121.20 129.28 2p3b s ILE 85 Ca 0.00 1.16 0.06 0.00 -2.23 0.00 0.00 60.65 59.64 2p3b s ILE 85 Cb -0.16 -4.23 0.06 0.00 -1.58 0.00 0.00 42.46 36.55 2p3b s ILE 85 CO -0.09 -0.38 0.46 0.61 -1.23 0.00 0.00 174.94 174.31 2p3b n GLY 86 N 4.29 2.07 0.23 6.18 0.00 -1.19 -1.12 105.19 115.66 2p3b n GLY 86 Ca 0.05 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 43.95 2p3b n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2p3b h ARG 87 N 0.00 0.00 -0.30 1.61 3.08 -0.89 -2.00 114.38 115.87 2p3b h ARG 87 Ca -0.17 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.95 2p3b h ARG 87 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2p3b h ARG 87 CO 0.25 0.19 0.21 -2.95 -1.07 0.00 0.00 179.97 176.61 2p3b h ASN 88 N 0.00 0.05 0.00 7.04 -1.07 -1.79 -2.27 115.58 117.55 2p3b h ASN 88 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 2p3b h ASN 88 Cb 0.38 -0.01 -0.07 0.00 -2.07 0.00 0.00 38.32 36.55 2p3b h ASN 88 CO 0.02 0.03 -2.38 0.18 0.07 0.00 0.00 177.43 175.36 2p3b n LEU 89 N -4.46 1.29 -0.30 6.14 4.77 -0.93 -4.23 117.00 119.26 2p3b n LEU 89 Ca 0.04 -0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2p3b n LEU 89 Cb 0.34 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.59 2p3b n LEU 89 CO 0.35 0.67 1.24 -0.07 -1.33 0.00 0.00 177.39 178.26 2p3b h LEU 90 N 0.00 0.86 -1.29 2.23 3.38 -1.22 -1.62 115.31 117.66 2p3b h LEU 90 Ca -0.54 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 2p3b h LEU 90 Cb 2.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 2p3b h LEU 90 CO -0.02 0.51 -0.03 0.71 0.09 0.00 0.00 178.44 179.70 2p3b h THR 91 N 0.95 1.19 0.00 0.22 1.35 -1.61 -1.48 112.91 113.53 2p3b h THR 91 Ca 0.42 -0.76 -0.09 0.00 -0.55 0.00 0.00 66.41 65.43 2p3b h THR 91 Cb 0.36 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 2p3b h THR 91 CO -0.18 0.26 -0.41 1.56 -0.25 0.00 0.00 175.52 176.50 2p3b h GLN 92 N 0.43 0.00 -0.36 4.72 4.20 -1.48 -2.55 115.11 120.07 2p3b h GLN 92 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2p3b h GLN 92 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2p3b h GLN 92 CO 0.01 0.41 0.00 0.44 -0.67 0.00 0.00 178.83 179.02 2p3b n ILE 93 N -3.76 0.47 -1.98 2.54 -5.35 -1.05 -4.94 119.36 105.28 2p3b n ILE 93 Ca -0.01 -0.62 -0.04 0.00 -0.27 0.00 0.00 62.75 61.81 2p3b n ILE 93 Cb 0.48 0.64 -0.00 0.00 -1.74 0.00 0.00 39.64 39.02 2p3b n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p3b n GLY 94 N 1.36 0.26 3.70 3.28 0.00 -0.96 -5.00 105.19 107.83 2p3b n GLY 94 Ca 0.18 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2p3b n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3b s THR 96 N 1.21 1.80 -0.00 0.00 -4.23 -1.26 -4.72 115.64 108.45 2p3b s THR 96 Ca 0.47 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.91 2p3b s THR 96 Cb -0.19 -1.85 -0.06 0.00 1.34 0.00 0.00 72.50 71.74 2p3b s THR 96 CO 0.23 -0.33 0.39 -0.76 -0.54 0.00 0.00 174.62 173.60 2p3b s LEU 97 N -2.69 4.46 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.29 2p3b s LEU 97 Ca 0.16 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2p3b s LEU 97 Cb -0.05 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.61 2p3b s LEU 97 CO 0.07 0.32 -0.00 0.20 0.23 0.00 0.00 176.35 177.16 2p3b s ASN 98 N -1.13 0.37 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.04 2p3b s ASN 98 Ca 0.24 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.50 2p3b s ASN 98 Cb -0.16 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.89 2p3b s ASN 98 CO 0.13 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.80