#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpx s GLN 2 N 0.00 2.12 -0.23 0.54 0.74 -1.26 -5.11 119.66 116.46 2bpx s GLN 2 Ca 0.00 -0.58 -0.11 0.00 0.05 0.00 0.00 55.36 54.72 2bpx s GLN 2 Cb 0.00 -2.11 -0.05 0.00 1.10 0.00 0.00 33.01 31.95 2bpx s GLN 2 CO 0.00 -0.29 0.20 0.42 -0.55 0.00 0.00 175.29 175.07 2bpx s ILE 3 N 1.50 5.34 0.53 -2.34 -1.09 -1.26 -5.09 121.20 118.79 2bpx s ILE 3 Ca 0.04 0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.69 2bpx s ILE 3 Cb -0.14 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2bpx s ILE 3 CO -0.10 0.34 0.79 0.42 -1.23 0.00 0.00 174.94 175.16 2bpx s THR 4 N 1.04 3.83 -0.27 2.92 -4.23 -1.26 -5.04 115.64 112.63 2bpx s THR 4 Ca 0.09 -0.22 0.11 0.00 -1.18 0.00 0.00 61.69 60.50 2bpx s THR 4 Cb -0.14 -3.47 0.54 0.00 1.34 0.00 0.00 72.50 70.78 2bpx s THR 4 CO 0.05 -0.41 1.51 0.18 -0.54 0.00 0.00 174.62 175.40 2bpx n LEU 5 N -2.35 4.38 -0.10 4.79 4.77 -1.26 -4.57 117.00 122.66 2bpx n LEU 5 Ca 0.03 -3.47 -0.13 0.00 -0.03 0.00 0.00 56.01 52.41 2bpx n LEU 5 Cb 0.58 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2bpx n LEU 5 CO 0.50 1.01 0.53 -0.50 -1.33 0.00 0.00 177.39 177.61 2bpx h TRP 6 N 1.37 1.09 -0.94 -1.77 4.06 -2.05 -3.45 115.95 114.26 2bpx h TRP 6 Ca 0.18 -0.34 -0.63 0.00 2.06 0.00 0.00 58.89 60.17 2bpx h TRP 6 Cb 1.73 -0.23 -0.10 0.00 -1.00 0.00 0.00 29.16 29.56 2bpx h TRP 6 CO 0.91 1.16 -0.49 -0.65 -3.56 0.00 0.00 178.44 175.81 2bpx s GLN 7 N -4.34 2.17 0.08 0.49 1.11 -1.26 -5.09 119.66 112.82 2bpx s GLN 7 Ca -0.11 -2.14 -0.31 0.00 0.01 0.00 0.00 55.36 52.81 2bpx s GLN 7 Cb 0.11 -1.77 -0.07 0.00 -1.01 0.00 0.00 33.01 30.27 2bpx s GLN 7 CO 0.88 -0.29 1.39 1.03 0.01 0.00 0.00 175.29 178.31 2bpx s ARG 8 N -3.93 4.32 -1.06 2.91 0.52 -1.26 -4.91 118.95 115.54 2bpx s ARG 8 Ca 0.25 2.04 -0.23 0.00 -0.52 0.00 0.00 55.73 57.27 2bpx s ARG 8 Cb 0.03 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 2bpx s ARG 8 CO 0.14 -0.47 1.85 -1.25 0.02 0.00 0.00 175.30 175.60 2bpx s PRO 9 N 1.44 2.83 -0.19 3.54 0.04 -1.26 -4.93 135.00 136.46 2bpx s PRO 9 Ca 0.64 -0.90 -0.07 0.00 0.04 0.00 0.00 61.00 60.71 2bpx s PRO 9 Cb -0.35 -5.22 -0.04 0.00 0.04 0.00 0.00 34.50 28.93 2bpx s PRO 9 CO 0.29 -3.32 0.06 -0.51 0.04 0.00 0.00 177.00 173.57 2bpx s LEU 10 N 9.10 3.76 0.12 -3.56 1.43 -1.26 -1.00 118.68 127.27 2bpx s LEU 10 Ca 0.65 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.86 2bpx s LEU 10 Cb -0.02 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2bpx s LEU 10 CO 0.04 0.15 -0.17 0.68 0.23 0.00 0.00 176.35 177.28 2bpx s VAL 11 N 0.51 1.53 0.07 -1.59 -7.23 0.10 -4.91 120.40 108.89 2bpx s VAL 11 Ca 0.03 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 2bpx s VAL 11 Cb -0.13 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2bpx s VAL 11 CO 0.01 -0.29 0.94 -0.89 -0.31 0.00 0.00 175.10 174.56 2bpx s THR 12 N -1.80 4.62 0.08 5.32 2.01 -1.26 -0.37 115.64 124.25 2bpx s THR 12 Ca 0.09 2.00 0.08 0.00 0.31 0.00 0.00 61.69 64.17 2bpx s THR 12 Cb -0.07 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2bpx s THR 12 CO 0.04 0.29 -0.20 0.27 -0.69 0.00 0.00 174.62 174.33 2bpx s ILE 13 N 0.23 1.65 -0.41 1.82 -4.36 0.23 -2.26 121.20 118.10 2bpx s ILE 13 Ca 0.47 -1.39 -0.06 0.00 -0.26 0.00 0.00 60.65 59.40 2bpx s ILE 13 Cb -0.22 -1.48 0.09 0.00 1.25 0.00 0.00 42.46 42.10 2bpx s ILE 13 CO 0.28 0.03 0.22 -0.75 0.24 0.00 0.00 174.94 174.96 2bpx s LYS 14 N -1.62 2.39 -0.73 0.37 2.20 -0.89 -0.67 119.74 120.79 2bpx s LYS 14 Ca 0.06 -1.57 -0.10 0.00 -0.36 0.00 0.00 55.97 54.00 2bpx s LYS 14 Cb -0.09 -3.66 0.19 0.00 -1.51 0.00 0.00 37.83 32.76 2bpx s LYS 14 CO 0.03 -0.97 0.62 -1.50 -0.36 0.00 0.00 175.35 173.17 2bpx s ILE 15 N 1.31 4.83 -0.84 5.43 1.10 0.01 -2.41 121.20 130.64 2bpx s ILE 15 Ca 0.04 -2.59 -0.04 0.00 -0.51 0.00 0.00 60.65 57.55 2bpx s ILE 15 Cb -0.23 -4.04 -0.05 0.00 0.15 0.00 0.00 42.46 38.29 2bpx s ILE 15 CO -0.01 -0.96 0.73 0.61 -2.11 0.00 0.00 174.94 173.21 2bpx n GLY 16 N 3.87 -0.65 3.49 1.50 0.00 -1.26 -3.18 105.19 108.96 2bpx n GLY 16 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2bpx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpx n GLY 17 N -1.27 1.36 3.72 -0.02 0.00 -1.26 -4.96 105.19 102.75 2bpx n GLY 17 Ca -0.08 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2bpx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpx s GLN 18 N 0.00 4.42 -0.44 1.61 -0.21 -1.19 -5.00 119.66 118.86 2bpx s GLN 18 Ca 0.00 1.82 -0.16 0.00 0.02 0.00 0.00 55.36 57.04 2bpx s GLN 18 Cb 0.00 -3.33 0.04 0.00 1.00 0.00 0.00 33.01 30.72 2bpx s GLN 18 CO 0.00 -0.26 0.38 -0.51 -2.12 0.00 0.00 175.29 172.78 2bpx s LEU 19 N 0.95 5.21 0.48 2.90 1.43 -1.26 -0.81 118.68 127.59 2bpx s LEU 19 Ca 0.59 -0.99 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2bpx s LEU 19 Cb -0.31 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 2bpx s LEU 19 CO 0.30 -0.57 0.26 -0.54 0.23 0.00 0.00 176.35 176.03 2bpx s LYS 20 N 1.83 2.26 -0.08 1.70 1.02 0.15 -4.93 119.74 121.69 2bpx s LYS 20 Ca 0.07 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.09 2bpx s LYS 20 Cb -0.20 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 2bpx s LYS 20 CO 0.10 -0.36 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.10 2bpx s GLU 21 N -4.07 2.88 0.04 1.68 2.12 -1.26 -0.60 118.70 119.49 2bpx s GLU 21 Ca 0.33 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 55.11 2bpx s GLU 21 Cb 0.00 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 2bpx s GLU 21 CO 0.19 0.59 -0.05 0.00 -0.54 0.00 0.00 175.26 175.46 2bpx s ALA 22 N -0.61 0.44 -0.20 6.30 0.00 0.51 -4.46 121.76 123.73 2bpx s ALA 22 Ca 0.09 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2bpx s ALA 22 Cb -0.12 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2bpx s ALA 22 CO 0.02 -0.19 0.35 -1.17 0.00 0.00 0.00 175.76 174.78 2bpx s LEU 23 N -2.04 4.16 -0.60 0.00 2.96 -0.00 0.01 118.68 123.16 2bpx s LEU 23 Ca -0.05 0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 54.04 2bpx s LEU 23 Cb -0.04 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.23 2bpx s LEU 23 CO -0.03 -0.04 1.42 -0.76 -1.32 0.00 0.00 176.35 175.62 2bpx s LEU 24 N 1.19 3.35 -0.41 -0.68 1.43 -0.17 -1.05 118.68 122.34 2bpx s LEU 24 Ca 0.17 0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2bpx s LEU 24 Cb -0.14 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.24 2bpx s LEU 24 CO 0.07 -1.78 0.24 -0.62 0.23 0.00 0.00 176.35 174.49 2bpx s ASP 25 N 4.54 5.52 0.40 2.29 -1.08 -0.24 -4.84 116.67 123.25 2bpx s ASP 25 Ca 0.50 -1.64 0.21 0.00 -0.52 0.00 0.00 52.55 51.10 2bpx s ASP 25 Cb -0.10 -1.94 0.71 0.00 -1.46 0.00 0.00 42.92 40.13 2bpx s ASP 25 CO 0.23 -0.54 1.74 0.71 0.52 0.00 0.00 175.17 177.83 2bpx h THR 26 N 6.17 0.69 -0.01 1.71 1.35 -1.93 -2.79 112.91 118.10 2bpx h THR 26 Ca -0.21 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2bpx h THR 26 Cb 1.07 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2bpx h THR 26 CO 0.74 0.30 -0.05 0.61 -0.25 0.00 0.00 175.52 176.87 2bpx n GLY 27 N 0.35 -0.66 3.54 5.82 0.00 -1.26 -4.73 105.19 108.25 2bpx n GLY 27 Ca 0.00 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 2bpx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpx s ALA 28 N -2.20 3.46 0.08 4.61 0.00 -1.05 -4.97 121.76 121.69 2bpx s ALA 28 Ca 0.37 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.93 2bpx s ALA 28 Cb 0.21 -2.49 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 2bpx s ALA 28 CO 0.40 -0.71 1.47 -0.44 0.00 0.00 0.00 175.76 176.49 2bpx h ASP 29 N 8.39 0.49 -1.87 0.00 3.32 -1.86 0.24 116.42 125.14 2bpx h ASP 29 Ca -0.34 -0.37 -0.49 0.00 0.02 0.00 0.00 57.03 55.85 2bpx h ASP 29 Cb 1.17 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.55 2bpx h ASP 29 CO 0.59 0.75 -0.45 -1.81 -1.72 0.00 0.00 179.24 176.60 2bpx s ASP 30 N -6.10 5.34 -0.12 6.45 1.01 -1.26 -2.94 116.67 119.05 2bpx s ASP 30 Ca -0.13 -0.46 -0.11 0.00 0.71 0.00 0.00 52.55 52.55 2bpx s ASP 30 Cb 0.07 -1.02 -0.05 0.00 1.01 0.00 0.00 42.92 42.94 2bpx s ASP 30 CO 0.76 -0.34 0.23 -0.89 0.21 0.00 0.00 175.17 175.15 2bpx s THR 31 N -2.29 5.34 -0.07 -1.27 2.01 -1.26 -3.57 115.64 114.54 2bpx s THR 31 Ca 0.41 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2bpx s THR 31 Cb -0.06 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.93 2bpx s THR 31 CO 0.27 0.52 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.95 2bpx s VAL 32 N -0.38 0.83 0.33 3.82 1.01 -0.03 -1.69 120.40 124.29 2bpx s VAL 32 Ca 0.16 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.97 2bpx s VAL 32 Cb -0.13 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2bpx s VAL 32 CO 0.05 0.30 0.02 -0.76 0.00 0.00 0.00 175.10 174.71 2bpx s LEU 33 N 1.07 3.03 0.92 3.92 1.43 0.08 -0.32 118.68 128.81 2bpx s LEU 33 Ca -0.08 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 2bpx s LEU 33 Cb -0.14 -1.44 0.15 0.00 0.03 0.00 0.00 46.19 44.79 2bpx s LEU 33 CO -0.01 -0.21 1.11 -1.61 0.23 0.00 0.00 176.35 175.87 2bpx s GLU 34 N -3.72 1.02 -0.16 1.70 2.02 -1.26 -2.27 118.70 116.04 2bpx s GLU 34 Ca 0.35 1.31 -0.31 0.00 0.02 0.00 0.00 54.97 56.34 2bpx s GLU 34 Cb -0.01 -1.74 -0.08 0.00 0.10 0.00 0.00 34.13 32.39 2bpx s GLU 34 CO 0.20 -2.55 2.11 -1.91 0.02 0.00 0.00 175.26 173.12 2bpx n GLU 35 N -4.16 2.08 -3.79 1.61 4.07 -1.09 -4.46 120.64 114.92 2bpx n GLU 35 Ca 0.10 0.66 -0.08 0.00 -0.06 0.00 0.00 57.16 57.78 2bpx n GLU 35 Cb 0.53 -2.98 -0.02 0.00 -0.06 0.00 0.00 31.44 28.91 2bpx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bpx s MET 36 N 5.53 1.67 -0.30 5.31 0.23 -1.26 -5.03 119.30 125.45 2bpx s MET 36 Ca 0.98 -0.91 -0.13 0.00 -1.03 0.00 0.00 55.69 54.60 2bpx s MET 36 Cb -0.49 0.59 -0.03 0.00 -1.53 0.00 0.00 34.83 33.37 2bpx s MET 36 CO 0.42 -0.76 0.27 -1.54 -2.03 0.00 0.00 175.02 171.38 2bpx s SER 37 N -2.89 6.10 0.05 -1.18 1.04 -1.26 -5.00 113.70 110.55 2bpx s SER 37 Ca 0.10 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.50 2bpx s SER 37 Cb -0.05 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 2bpx s SER 37 CO 0.03 -0.16 -0.07 -0.76 0.98 0.00 0.00 173.24 173.25 2bpx s LEU 38 N 1.86 3.14 0.12 2.42 1.43 -1.26 -5.09 118.68 121.30 2bpx s LEU 38 Ca 0.09 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 2bpx s LEU 38 Cb -0.16 -1.86 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 2bpx s LEU 38 CO 0.11 0.24 1.31 -2.84 0.23 0.00 0.00 176.35 175.40 2bpx s PRO 39 N -1.77 4.37 0.00 1.29 0.02 -1.26 -4.90 135.00 132.75 2bpx s PRO 39 Ca 0.19 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2bpx s PRO 39 Cb -0.11 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.14 2bpx s PRO 39 CO 0.11 -0.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 2bpx n GLY 40 N 3.15 2.49 3.78 0.52 0.00 -1.26 -5.03 105.19 108.85 2bpx n GLY 40 Ca 0.09 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.78 2bpx n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bpx s ARG 41 N -1.77 4.44 0.28 1.61 3.52 -1.26 -5.07 118.95 120.71 2bpx s ARG 41 Ca 0.00 1.00 0.11 0.00 -0.13 0.00 0.00 55.73 56.71 2bpx s ARG 41 Cb 0.00 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2bpx s ARG 41 CO 0.00 0.53 -0.17 1.67 -0.81 0.00 0.00 175.30 176.52 2bpx s TRP 42 N -0.90 2.23 -0.07 5.12 1.48 -1.26 -4.56 118.94 120.99 2bpx s TRP 42 Ca 0.34 -0.41 0.01 0.00 -1.06 0.00 0.00 56.10 54.99 2bpx s TRP 42 Cb -0.21 -1.05 0.02 0.00 -1.16 0.00 0.00 33.47 31.06 2bpx s TRP 42 CO 0.23 0.64 -0.10 0.15 -4.06 0.00 0.00 176.95 173.81 2bpx s LYS 43 N -3.55 1.53 0.07 3.25 1.02 -0.95 -4.88 119.74 116.23 2bpx s LYS 43 Ca 0.30 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 2bpx s LYS 43 Cb -0.03 -1.36 -0.08 0.00 -0.52 0.00 0.00 37.83 35.84 2bpx s LYS 43 CO 0.14 -0.06 1.56 -1.25 -0.92 0.00 0.00 175.35 174.83 2bpx s PRO 44 N 0.94 4.23 0.02 -1.68 0.04 -1.26 -0.70 135.00 136.59 2bpx s PRO 44 Ca -0.10 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.21 2bpx s PRO 44 Cb -0.15 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 2bpx s PRO 44 CO 0.01 -0.66 -0.11 0.21 0.04 0.00 0.00 177.00 176.49 2bpx s LYS 45 N 2.29 0.81 -0.23 4.56 2.20 -0.44 -4.93 119.74 124.00 2bpx s LYS 45 Ca 0.70 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 2bpx s LYS 45 Cb -0.38 -0.78 -0.01 0.00 -1.51 0.00 0.00 37.83 35.15 2bpx s LYS 45 CO 0.31 0.20 -0.01 1.41 -0.36 0.00 0.00 175.35 176.90 2bpx s MET 46 N -0.71 3.44 -0.03 4.03 -2.45 -1.26 -1.23 119.30 121.08 2bpx s MET 46 Ca 0.01 -0.60 0.07 0.00 -1.25 0.00 0.00 55.69 53.93 2bpx s MET 46 Cb -0.06 -3.11 -0.02 0.00 1.25 0.00 0.00 34.83 32.89 2bpx s MET 46 CO 0.00 -0.21 -0.25 0.96 1.05 0.00 0.00 175.02 176.58 2bpx s ILE 47 N 1.52 2.14 0.17 10.11 -4.36 -0.78 -4.92 121.20 125.07 2bpx s ILE 47 Ca 0.06 -1.06 0.07 0.00 -0.26 0.00 0.00 60.65 59.45 2bpx s ILE 47 Cb -0.15 -1.75 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 2bpx s ILE 47 CO -0.01 0.58 0.01 -0.83 0.24 0.00 0.00 174.94 174.93 2bpx s GLY 48 N -0.51 1.74 0.00 6.27 0.00 -1.26 -0.33 107.32 113.23 2bpx s GLY 48 Ca 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2bpx s GLY 48 CO 0.00 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.37 2bpx n GLY 49 N -0.10 4.34 0.07 0.20 0.00 -0.64 -4.93 105.19 104.14 2bpx n GLY 49 Ca -0.10 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 2bpx n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2bpx h ILE 50 N 0.00 1.58 0.21 -0.61 1.08 -2.03 -3.40 117.51 114.34 2bpx h ILE 50 Ca 0.00 -2.26 -0.01 0.00 -0.39 0.00 0.00 64.86 62.20 2bpx h ILE 50 Cb 0.00 3.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2bpx h ILE 50 CO 0.00 0.53 -0.10 1.23 -0.69 0.00 0.00 178.15 179.13 2bpx h GLY 51 N -1.00 -0.29 0.00 5.37 0.00 -2.02 -3.50 103.07 101.64 2bpx h GLY 51 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2bpx h GLY 51 CO -0.03 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.01 2bpx n GLY 52 N 0.46 1.67 3.87 4.60 0.00 -1.26 -5.16 105.19 109.37 2bpx n GLY 52 Ca -0.03 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2bpx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpx s PHE 53 N -2.12 3.45 0.17 1.61 0.40 -1.26 -1.61 117.98 118.62 2bpx s PHE 53 Ca 0.00 0.84 0.05 0.00 -0.60 0.00 0.00 56.93 57.23 2bpx s PHE 53 Cb 0.00 -2.23 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 2bpx s PHE 53 CO 0.00 0.31 -0.11 0.96 0.70 0.00 0.00 175.22 177.08 2bpx s ILE 54 N -1.75 1.34 -0.26 0.64 -4.36 0.55 -4.94 121.20 112.42 2bpx s ILE 54 Ca 0.45 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 2bpx s ILE 54 Cb -0.12 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.62 2bpx s ILE 54 CO 0.21 -0.68 0.20 -0.75 0.24 0.00 0.00 174.94 174.16 2bpx s LYS 55 N -3.72 4.01 0.31 0.37 2.20 -1.26 -1.87 119.74 119.77 2bpx s LYS 55 Ca 0.19 -0.25 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 2bpx s LYS 55 Cb 0.02 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 2bpx s LYS 55 CO 0.03 -0.10 -0.03 0.14 -0.36 0.00 0.00 175.35 175.03 2bpx s VAL 56 N 1.52 1.62 -0.27 4.02 -7.23 -0.37 -4.52 120.40 115.17 2bpx s VAL 56 Ca 0.08 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 2bpx s VAL 56 Cb -0.15 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.20 2bpx s VAL 56 CO 0.08 -0.20 0.05 -0.13 -0.31 0.00 0.00 175.10 174.59 2bpx s ARG 57 N -3.75 3.21 -0.41 4.82 0.52 0.63 -1.33 118.95 122.63 2bpx s ARG 57 Ca 0.32 -0.77 -0.25 0.00 -0.52 0.00 0.00 55.73 54.51 2bpx s ARG 57 Cb 0.05 -3.28 0.02 0.00 0.52 0.00 0.00 34.95 32.26 2bpx s ARG 57 CO 0.14 -0.36 0.87 -1.14 0.02 0.00 0.00 175.30 174.82 2bpx s GLN 58 N 1.50 3.64 -0.21 3.54 0.74 0.13 -1.25 119.66 127.74 2bpx s GLN 58 Ca 0.03 0.25 -0.08 0.00 0.05 0.00 0.00 55.36 55.62 2bpx s GLN 58 Cb -0.16 -3.87 -0.04 0.00 1.10 0.00 0.00 33.01 30.04 2bpx s GLN 58 CO 0.01 -1.05 0.07 0.71 -0.55 0.00 0.00 175.29 174.48 2bpx s TYR 59 N 3.46 3.18 0.31 1.67 2.02 -0.29 -2.23 117.35 125.46 2bpx s TYR 59 Ca 0.35 -0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.83 2bpx s TYR 59 Cb -0.12 -2.16 -0.07 0.00 -0.40 0.00 0.00 41.96 39.22 2bpx s TYR 59 CO 0.22 -0.07 0.66 -0.51 -1.57 0.00 0.00 175.55 174.28 2bpx s ASP 60 N 0.94 6.60 -0.92 2.29 1.11 -1.26 -0.63 116.67 124.80 2bpx s ASP 60 Ca 0.04 1.03 -0.09 0.00 0.18 0.00 0.00 52.55 53.71 2bpx s ASP 60 Cb -0.14 -2.27 0.01 0.00 1.07 0.00 0.00 42.92 41.59 2bpx s ASP 60 CO 0.03 -0.21 0.61 0.00 1.18 0.00 0.00 175.17 176.78 2bpx n GLN 61 N -0.64 -1.18 -4.34 8.23 10.64 -1.23 -4.91 117.38 123.95 2bpx n GLN 61 Ca 0.01 0.55 -0.31 0.00 -1.83 0.00 0.00 57.00 55.42 2bpx n GLN 61 Cb 0.53 -2.24 -0.10 0.00 -0.86 0.00 0.00 30.24 27.58 2bpx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2bpx s ILE 62 N -3.13 3.62 -0.12 -0.39 1.09 0.48 -4.84 121.20 117.92 2bpx s ILE 62 Ca 0.13 -0.95 -0.04 0.00 -1.10 0.00 0.00 60.65 58.69 2bpx s ILE 62 Cb -0.07 -2.63 -0.03 0.00 -1.06 0.00 0.00 42.46 38.66 2bpx s ILE 62 CO 0.91 0.27 0.01 -0.22 -0.10 0.00 0.00 174.94 175.81 2bpx s LEU 63 N -1.78 3.60 -0.03 2.97 0.20 -1.26 -0.89 118.68 121.49 2bpx s LEU 63 Ca 0.20 0.09 0.02 0.00 0.69 0.00 0.00 54.13 55.13 2bpx s LEU 63 Cb -0.11 -1.85 0.01 0.00 -0.43 0.00 0.00 46.19 43.80 2bpx s LEU 63 CO 0.11 0.30 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.76 2bpx s ILE 64 N -0.38 0.66 -0.80 6.68 1.01 -0.27 -4.60 121.20 123.50 2bpx s ILE 64 Ca 0.08 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 2bpx s ILE 64 Cb -0.12 -0.61 0.13 0.00 0.01 0.00 0.00 42.46 41.87 2bpx s ILE 64 CO 0.02 0.22 0.96 -1.61 0.00 0.00 0.00 174.94 174.53 2bpx s GLU 65 N 0.35 3.41 -0.55 2.79 2.02 -1.01 -2.33 118.70 123.38 2bpx s GLU 65 Ca -0.05 -1.65 -0.26 0.00 0.02 0.00 0.00 54.97 53.03 2bpx s GLU 65 Cb -0.09 -4.60 0.04 0.00 0.10 0.00 0.00 34.13 29.57 2bpx s GLU 65 CO 0.00 -1.65 1.03 0.42 0.02 0.00 0.00 175.26 175.08 2bpx s ILE 66 N 2.47 4.26 -1.20 -1.63 1.01 -0.52 -2.10 121.20 123.49 2bpx s ILE 66 Ca 0.24 0.57 -0.16 0.00 0.00 0.00 0.00 60.65 61.30 2bpx s ILE 66 Cb -0.11 -4.60 -0.01 0.00 0.01 0.00 0.00 42.46 37.75 2bpx s ILE 66 CO -0.03 -1.17 0.72 0.00 0.00 0.00 0.00 174.94 174.46 2bpx n GLY 68 N -1.72 -0.21 3.00 0.00 0.00 -1.26 -5.01 105.19 99.99 2bpx n GLY 68 Ca -0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 2bpx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpx s HIS 69 N -3.11 -0.28 -0.08 1.61 4.02 -1.04 -5.13 115.29 111.27 2bpx s HIS 69 Ca 0.32 0.70 -0.28 0.00 1.02 0.00 0.00 55.06 56.82 2bpx s HIS 69 Cb -0.14 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.58 31.39 2bpx s HIS 69 CO 0.40 -0.22 0.94 0.15 1.02 0.00 0.00 174.74 177.02 2bpx s LYS 70 N 1.35 4.44 0.00 1.40 1.02 -1.26 -1.44 119.74 125.25 2bpx s LYS 70 Ca -0.08 1.28 0.01 0.00 0.02 0.00 0.00 55.97 57.20 2bpx s LYS 70 Cb -0.11 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 2bpx s LYS 70 CO -0.08 -0.21 -0.04 0.00 -0.92 0.00 0.00 175.35 174.11 2bpx s ALA 71 N 1.64 0.31 -0.01 5.17 0.00 -0.98 -4.92 121.76 122.97 2bpx s ALA 71 Ca 0.46 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.25 2bpx s ALA 71 Cb -0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2bpx s ALA 71 CO 0.20 0.05 -0.21 0.42 0.00 0.00 0.00 175.76 176.22 2bpx s ILE 72 N -0.29 2.50 -0.30 0.00 1.01 -1.26 -1.11 121.20 121.75 2bpx s ILE 72 Ca -0.01 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2bpx s ILE 72 Cb -0.03 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2bpx s ILE 72 CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2bpx n GLY 73 N 2.12 -1.20 3.72 6.18 0.00 -0.06 -4.91 105.19 111.05 2bpx n GLY 73 Ca -0.16 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2bpx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpx s THR 74 N -2.09 4.58 -0.13 2.61 2.01 -1.26 -0.39 115.64 120.98 2bpx s THR 74 Ca 0.00 2.06 0.02 0.00 0.31 0.00 0.00 61.69 64.08 2bpx s THR 74 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.21 2bpx s THR 74 CO 0.00 0.27 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.34 2bpx s VAL 75 N 0.26 1.72 -0.00 3.82 1.01 0.20 -4.45 120.40 122.96 2bpx s VAL 75 Ca 0.48 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 2bpx s VAL 75 Cb -0.23 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2bpx s VAL 75 CO 0.29 0.48 0.34 -0.76 0.00 0.00 0.00 175.10 175.46 2bpx s LEU 76 N 1.02 4.42 -0.07 3.92 1.43 -0.68 -1.14 118.68 127.58 2bpx s LEU 76 Ca -0.04 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 2bpx s LEU 76 Cb -0.15 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2bpx s LEU 76 CO -0.04 0.30 -0.19 -0.69 0.23 0.00 0.00 176.35 175.96 2bpx s VAL 77 N -1.17 1.60 0.04 -1.59 1.01 -0.38 -0.74 120.40 119.17 2bpx s VAL 77 Ca 0.25 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2bpx s VAL 77 Cb -0.15 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2bpx s VAL 77 CO 0.13 0.46 0.52 0.61 0.00 0.00 0.00 175.10 176.82 2bpx n GLY 78 N 3.50 0.74 3.34 4.51 0.00 -0.96 -0.27 105.19 116.05 2bpx n GLY 78 Ca -0.20 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 2bpx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpx n PRO 79 N -0.37 1.37 -5.03 1.61 -0.04 -1.26 -2.65 135.00 128.62 2bpx n PRO 79 Ca 0.00 -2.03 -0.32 0.00 -0.04 0.00 0.00 63.50 61.12 2bpx n PRO 79 Cb 0.27 -3.25 -0.14 0.00 -0.04 0.00 0.00 33.50 30.33 2bpx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpx s THR 80 N 8.10 2.68 0.13 0.52 -1.32 -1.26 -5.01 115.64 119.46 2bpx s THR 80 Ca 0.64 -0.86 0.30 0.00 -1.21 0.00 0.00 61.69 60.56 2bpx s THR 80 Cb 0.08 -2.02 0.34 0.00 -1.51 0.00 0.00 72.50 69.39 2bpx s THR 80 CO 0.15 0.58 1.94 1.55 -2.21 0.00 0.00 174.62 176.63 2bpx h PRO 81 N 5.62 0.00 -3.35 7.08 0.13 -1.97 -3.43 132.00 136.08 2bpx h PRO 81 Ca -0.41 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.54 2bpx h PRO 81 Cb 1.15 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 2bpx h PRO 81 CO 0.50 0.07 -0.51 0.54 -0.23 0.00 0.00 178.00 178.37 2bpx s VAL 82 N -3.69 0.02 0.06 1.56 0.11 -1.26 -5.09 120.40 112.11 2bpx s VAL 82 Ca 0.01 -0.16 -0.31 0.00 -2.93 0.00 0.00 61.98 58.59 2bpx s VAL 82 Cb 0.10 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.58 2bpx s VAL 82 CO 0.57 -0.09 1.37 0.20 -3.33 0.00 0.00 175.10 173.83 2bpx s ASN 83 N -0.25 6.86 -0.18 3.54 0.01 -1.26 -4.79 114.94 118.87 2bpx s ASN 83 Ca -0.03 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.32 2bpx s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2bpx s ASN 83 CO 0.01 -0.66 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.14 2bpx s ILE 84 N 1.63 2.44 -0.47 0.60 1.01 0.57 -0.82 121.20 126.15 2bpx s ILE 84 Ca 0.64 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 2bpx s ILE 84 Cb -0.34 -2.04 0.07 0.00 0.01 0.00 0.00 42.46 40.16 2bpx s ILE 84 CO 0.29 0.51 0.42 -0.63 0.00 0.00 0.00 174.94 175.53 2bpx s ILE 85 N 1.15 5.19 0.27 2.92 -1.09 -0.21 -0.85 121.20 128.58 2bpx s ILE 85 Ca 0.01 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.46 2bpx s ILE 85 Cb -0.14 -4.13 0.06 0.00 -1.58 0.00 0.00 42.46 36.67 2bpx s ILE 85 CO -0.07 -0.58 0.36 0.61 -1.23 0.00 0.00 174.94 174.03 2bpx n GLY 86 N 5.19 -0.35 0.29 6.18 0.00 -1.23 -1.08 105.19 114.18 2bpx n GLY 86 Ca -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2bpx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bpx h ARG 87 N 0.00 0.75 -0.99 1.61 3.08 -0.55 -0.91 114.38 117.37 2bpx h ARG 87 Ca -0.12 -0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.08 2bpx h ARG 87 Cb 0.37 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.15 2bpx h ARG 87 CO 0.10 0.50 0.61 -2.95 -1.07 0.00 0.00 179.97 177.16 2bpx h ASN 88 N 0.78 0.73 0.24 7.04 -1.07 -1.79 -1.45 115.58 120.06 2bpx h ASN 88 Ca 0.35 0.09 -0.34 0.00 0.07 0.00 0.00 56.30 56.46 2bpx h ASN 88 Cb 0.24 -0.04 -0.03 0.00 -2.07 0.00 0.00 38.32 36.41 2bpx h ASN 88 CO -0.20 0.26 -1.91 0.18 0.07 0.00 0.00 177.43 175.84 2bpx n LEU 89 N -4.72 2.08 -0.21 6.14 7.99 -1.04 -4.33 117.00 122.91 2bpx n LEU 89 Ca 0.23 0.28 0.01 0.00 -0.01 0.00 0.00 56.01 56.51 2bpx n LEU 89 Cb 0.59 -0.71 0.12 0.00 -0.11 0.00 0.00 43.42 43.31 2bpx n LEU 89 CO 0.23 0.71 1.00 -0.07 -1.51 0.00 0.00 177.39 177.75 2bpx h LEU 90 N 0.05 0.26 -1.66 2.23 3.38 -0.53 -1.82 115.31 117.22 2bpx h LEU 90 Ca -0.38 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2bpx h LEU 90 Cb 2.03 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 2bpx h LEU 90 CO 0.09 0.15 0.26 0.71 0.09 0.00 0.00 178.44 179.74 2bpx h THR 91 N 0.44 1.05 -0.95 0.22 1.35 -1.48 -2.07 112.91 111.47 2bpx h THR 91 Ca 0.32 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 2bpx h THR 91 Cb 0.40 0.55 -0.05 0.00 -1.73 0.00 0.00 68.15 67.33 2bpx h THR 91 CO -0.31 0.08 0.60 1.56 -0.25 0.00 0.00 175.52 177.20 2bpx h GLN 92 N 0.46 1.28 -0.28 4.72 1.08 -1.52 -0.09 115.11 120.76 2bpx h GLN 92 Ca 0.16 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2bpx h GLN 92 Cb 0.06 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 27.22 2bpx h GLN 92 CO -0.04 0.88 0.00 0.44 -0.95 0.00 0.00 178.83 179.16 2bpx n ILE 93 N -4.38 0.35 -3.68 2.54 -5.35 -0.79 -4.92 119.36 103.12 2bpx n ILE 93 Ca 0.11 -0.31 -0.22 0.00 -0.27 0.00 0.00 62.75 62.06 2bpx n ILE 93 Cb 0.04 0.10 0.03 0.00 -1.74 0.00 0.00 39.64 38.07 2bpx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpx n GLY 94 N 0.80 -0.41 3.81 3.28 0.00 -0.05 -4.98 105.19 107.64 2bpx n GLY 94 Ca 0.08 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 2bpx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpx s THR 96 N -1.36 0.46 -0.27 0.00 -4.23 -1.26 -4.82 115.64 104.17 2bpx s THR 96 Ca 0.38 -1.38 -0.10 0.00 -1.18 0.00 0.00 61.69 59.41 2bpx s THR 96 Cb -0.18 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 2bpx s THR 96 CO 0.21 -0.62 0.17 -0.22 -0.54 0.00 0.00 174.62 173.62 2bpx s LEU 97 N -2.14 3.93 -0.02 4.79 2.96 -1.26 -5.08 118.68 121.86 2bpx s LEU 97 Ca -0.03 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2bpx s LEU 97 Cb -0.03 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2bpx s LEU 97 CO -0.03 -0.04 -0.16 0.20 -1.32 0.00 0.00 176.35 175.01 2bpx s ASN 98 N 1.67 1.91 0.00 3.68 -0.87 -1.26 -5.31 114.94 114.76 2bpx s ASN 98 Ca 0.07 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 2bpx s ASN 98 Cb -0.16 -0.35 0.00 0.00 -0.02 0.00 0.00 41.25 40.72 2bpx s ASN 98 CO 0.09 0.17 0.00 2.22 -2.57 0.00 0.00 177.10 177.01