#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4n s GLN 2 N 0.00 3.34 -0.21 -0.52 0.74 -1.26 -5.11 119.66 116.65 2o4n s GLN 2 Ca 0.00 -0.67 -0.03 0.00 0.05 0.00 0.00 55.36 54.72 2o4n s GLN 2 Cb 0.00 -2.82 -0.00 0.00 1.10 0.00 0.00 33.01 31.28 2o4n s GLN 2 CO 0.00 -0.05 -0.08 0.42 -0.55 0.00 0.00 175.29 175.03 2o4n s ILE 3 N 1.04 3.09 0.68 -2.34 1.01 -1.26 -5.11 121.20 118.31 2o4n s ILE 3 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2o4n s ILE 3 Cb -0.15 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 40.01 2o4n s ILE 3 CO -0.01 0.45 0.97 0.42 0.00 0.00 0.00 174.94 176.76 2o4n s THR 4 N 1.41 2.34 -0.19 2.92 -4.23 -1.26 -5.04 115.64 111.59 2o4n s THR 4 Ca 0.05 -0.39 0.15 0.00 -1.18 0.00 0.00 61.69 60.32 2o4n s THR 4 Cb -0.14 -2.95 0.41 0.00 1.34 0.00 0.00 72.50 71.16 2o4n s THR 4 CO -0.05 0.00 1.29 0.18 -0.54 0.00 0.00 174.62 175.50 2o4n n LEU 5 N -2.81 3.12 0.14 4.79 4.77 -1.26 -4.56 117.00 121.18 2o4n n LEU 5 Ca 0.09 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 2o4n n LEU 5 Cb 0.60 -0.52 0.14 0.00 -2.33 0.00 0.00 43.42 41.31 2o4n n LEU 5 CO 0.49 0.96 0.47 -0.50 -1.33 0.00 0.00 177.39 177.48 2o4n h TRP 6 N 0.81 0.00 -2.09 -1.77 4.06 -2.06 -3.43 115.95 111.47 2o4n h TRP 6 Ca 0.04 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.42 2o4n h TRP 6 Cb 1.23 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.28 2o4n h TRP 6 CO 0.48 0.61 -0.65 0.15 -3.56 0.00 0.00 178.44 175.47 2o4n s LYS 7 N -3.34 2.12 0.22 0.49 1.02 -1.26 -5.11 119.74 113.88 2o4n s LYS 7 Ca 0.00 -1.60 -0.32 0.00 0.02 0.00 0.00 55.97 54.07 2o4n s LYS 7 Cb 0.11 -2.02 -0.13 0.00 -0.52 0.00 0.00 37.83 35.27 2o4n s LYS 7 CO 0.75 0.26 1.56 0.54 -0.92 0.00 0.00 175.35 177.55 2o4n n ARG 8 N -0.89 2.34 -1.21 1.68 1.74 -1.26 -4.85 116.66 114.21 2o4n n ARG 8 Ca -0.05 0.84 -0.37 0.00 -0.77 0.00 0.00 57.85 57.50 2o4n n ARG 8 Cb 0.60 -2.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 2o4n n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4n n PRO 9 N 2.90 2.32 -3.25 5.56 -0.04 -1.26 -4.91 135.00 136.32 2o4n n PRO 9 Ca 0.14 -1.98 -0.38 0.00 -0.04 0.00 0.00 63.50 61.23 2o4n n PRO 9 Cb 0.32 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 2o4n n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4n s LEU 10 N 0.98 4.27 0.24 1.53 1.43 -1.26 -0.63 118.68 125.23 2o4n s LEU 10 Ca 0.52 0.88 0.07 0.00 -1.03 0.00 0.00 54.13 54.57 2o4n s LEU 10 Cb 0.14 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 2o4n s LEU 10 CO 0.00 -0.05 -0.11 0.68 0.23 0.00 0.00 176.35 177.10 2o4n s VAL 11 N 0.80 1.71 0.18 -1.59 -7.23 0.42 -4.93 120.40 109.76 2o4n s VAL 11 Ca 0.28 -2.18 -0.28 0.00 -1.81 0.00 0.00 61.98 57.99 2o4n s VAL 11 Cb -0.16 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 2o4n s VAL 11 CO 0.12 -0.45 0.88 -0.89 -0.31 0.00 0.00 175.10 174.45 2o4n s THR 12 N -2.98 4.29 0.14 5.32 2.01 -1.26 -1.03 115.64 122.13 2o4n s THR 12 Ca 0.26 1.94 0.06 0.00 0.31 0.00 0.00 61.69 64.26 2o4n s THR 12 Cb 0.01 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2o4n s THR 12 CO 0.09 0.46 -0.15 0.54 -0.69 0.00 0.00 174.62 174.88 2o4n s VAL 13 N -0.85 1.45 -0.19 3.82 0.11 0.18 -2.84 120.40 122.09 2o4n s VAL 13 Ca 0.40 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.62 2o4n s VAL 13 Cb -0.24 -1.67 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2o4n s VAL 13 CO 0.29 -0.44 -0.17 -0.75 -3.33 0.00 0.00 175.10 170.70 2o4n s LYS 14 N -2.88 3.08 -0.03 1.54 2.20 -0.01 -0.87 119.74 122.78 2o4n s LYS 14 Ca 0.12 -0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 54.93 2o4n s LYS 14 Cb -0.04 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2o4n s LYS 14 CO 0.04 -0.19 0.06 -1.50 -0.36 0.00 0.00 175.35 173.40 2o4n s ILE 15 N 1.30 -0.04 -1.38 5.43 2.07 -0.42 -1.26 121.20 126.91 2o4n s ILE 15 Ca 0.05 0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.34 2o4n s ILE 15 Cb -0.13 -0.11 0.05 0.00 0.13 0.00 0.00 42.46 42.39 2o4n s ILE 15 CO -0.10 0.05 0.55 0.61 -1.91 0.00 0.00 174.94 174.14 2o4n n GLY 16 N 3.79 -0.50 2.55 1.50 0.00 -1.26 -1.46 105.19 109.80 2o4n n GLY 16 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2o4n n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4n n GLY 17 N -1.31 0.40 3.41 -0.02 0.00 -1.26 -5.00 105.19 101.41 2o4n n GLY 17 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2o4n n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4n s GLN 18 N -0.60 1.48 -0.07 1.61 -0.21 -0.54 -5.12 119.66 116.21 2o4n s GLN 18 Ca 0.00 -1.44 -0.19 0.00 0.02 0.00 0.00 55.36 53.75 2o4n s GLN 18 Cb 0.00 -1.88 -0.05 0.00 1.00 0.00 0.00 33.01 32.09 2o4n s GLN 18 CO 0.00 0.42 0.52 -0.51 -2.12 0.00 0.00 175.29 173.61 2o4n s LEU 19 N -2.41 4.33 0.05 2.90 1.02 -1.26 -1.30 118.68 122.02 2o4n s LEU 19 Ca 0.18 0.95 -0.03 0.00 0.02 0.00 0.00 54.13 55.25 2o4n s LEU 19 Cb -0.09 -2.78 -0.03 0.00 0.02 0.00 0.00 46.19 43.31 2o4n s LEU 19 CO 0.08 0.04 0.02 -0.54 0.02 0.00 0.00 176.35 175.98 2o4n s LYS 20 N 0.28 0.62 0.02 1.70 1.02 -0.05 -4.97 119.74 118.37 2o4n s LYS 20 Ca 0.28 -1.06 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 2o4n s LYS 20 Cb -0.16 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 2o4n s LYS 20 CO 0.13 -0.14 0.51 -2.00 -0.92 0.00 0.00 175.35 172.93 2o4n s GLU 21 N -3.53 4.13 -0.01 1.68 2.12 -1.26 0.50 118.70 122.32 2o4n s GLU 21 Ca 0.03 0.60 -0.08 0.00 0.36 0.00 0.00 54.97 55.88 2o4n s GLU 21 Cb 0.05 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.18 2o4n s GLU 21 CO -0.09 0.59 0.16 0.00 -0.54 0.00 0.00 175.26 175.38 2o4n s ALA 22 N -0.84 -0.38 -0.12 6.30 0.00 -0.20 -4.38 121.76 122.13 2o4n s ALA 22 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 51.96 52.03 2o4n s ALA 22 Cb -0.18 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2o4n s ALA 22 CO 0.16 -0.19 0.58 -1.17 0.00 0.00 0.00 175.76 175.14 2o4n s LEU 23 N -1.14 4.25 -0.39 0.00 2.96 0.36 -0.44 118.68 124.28 2o4n s LEU 23 Ca -0.12 0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 54.42 2o4n s LEU 23 Cb -0.06 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.78 2o4n s LEU 23 CO 0.02 -0.10 1.36 -0.76 -1.32 0.00 0.00 176.35 175.54 2o4n s LEU 24 N 1.01 3.67 -0.33 -0.68 1.43 0.19 -0.53 118.68 123.43 2o4n s LEU 24 Ca 0.30 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2o4n s LEU 24 Cb -0.16 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.62 2o4n s LEU 24 CO 0.13 -1.33 0.11 -0.62 0.23 0.00 0.00 176.35 174.87 2o4n s ASP 25 N 3.50 4.07 0.41 2.29 -1.08 -0.75 -4.77 116.67 120.34 2o4n s ASP 25 Ca 0.59 -1.86 0.29 0.00 -0.52 0.00 0.00 52.55 51.05 2o4n s ASP 25 Cb -0.14 -0.99 1.09 0.00 -1.46 0.00 0.00 42.92 41.43 2o4n s ASP 25 CO 0.30 -0.39 1.84 0.71 0.52 0.00 0.00 175.17 178.15 2o4n h THR 26 N 6.32 0.00 0.00 1.71 1.35 -1.94 -2.60 112.91 117.75 2o4n h THR 26 Ca -0.10 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2o4n h THR 26 Cb 1.00 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2o4n h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2o4n n GLY 27 N 0.23 -1.06 3.56 5.82 0.00 -1.26 -4.78 105.19 107.70 2o4n n GLY 27 Ca 0.02 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2o4n n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4n s ALA 28 N -2.76 3.32 0.30 4.61 0.00 -0.98 -4.98 121.76 121.27 2o4n s ALA 28 Ca 0.15 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2o4n s ALA 28 Cb 0.13 -2.03 0.48 0.00 0.00 0.00 0.00 23.12 21.70 2o4n s ALA 28 CO 0.33 -0.14 1.81 -0.44 0.00 0.00 0.00 175.76 177.33 2o4n h ASP 29 N 7.42 0.59 -2.98 0.00 3.32 -1.87 0.26 116.42 123.16 2o4n h ASP 29 Ca -0.37 -0.13 -0.49 0.00 0.02 0.00 0.00 57.03 56.06 2o4n h ASP 29 Cb 1.17 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 2o4n h ASP 29 CO 0.64 0.68 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.35 2o4n s ASP 30 N -6.71 2.71 -0.23 6.45 1.01 -1.26 -2.45 116.67 116.19 2o4n s ASP 30 Ca -0.08 -1.19 -0.09 0.00 0.71 0.00 0.00 52.55 51.90 2o4n s ASP 30 Cb 0.15 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.88 2o4n s ASP 30 CO 0.78 -0.35 0.12 -0.89 0.21 0.00 0.00 175.17 175.05 2o4n s THR 31 N -3.03 4.95 -0.03 -1.27 2.01 -1.26 -3.22 115.64 113.78 2o4n s THR 31 Ca 0.29 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.35 2o4n s THR 31 Cb 0.04 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.25 2o4n s THR 31 CO 0.12 0.36 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.79 2o4n s ILE 32 N 1.14 0.88 0.05 1.82 2.07 -0.39 -0.92 121.20 125.85 2o4n s ILE 32 Ca 0.06 -0.40 0.09 0.00 -1.41 0.00 0.00 60.65 58.99 2o4n s ILE 32 Cb -0.14 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 2o4n s ILE 32 CO 0.04 0.28 -0.25 -0.36 -1.91 0.00 0.00 174.94 172.74 2o4n s PHE 33 N 0.29 2.16 0.85 3.50 0.40 -0.18 -0.64 117.98 124.35 2o4n s PHE 33 Ca -0.05 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.74 2o4n s PHE 33 Cb -0.10 -1.28 0.04 0.00 0.51 0.00 0.00 43.02 42.19 2o4n s PHE 33 CO 0.01 0.13 0.76 0.39 0.70 0.00 0.00 175.22 177.21 2o4n n GLU 34 N 1.74 -0.01 -1.59 0.44 1.02 -1.26 -2.46 120.64 118.52 2o4n n GLU 34 Ca -0.17 0.06 -0.62 0.00 -0.02 0.00 0.00 57.16 56.41 2o4n n GLU 34 Cb 0.52 -2.08 -0.09 0.00 -0.02 0.00 0.00 31.44 29.77 2o4n n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2o4n n GLU 35 N -2.20 0.03 -3.78 3.49 4.07 -1.26 -4.76 120.64 116.23 2o4n n GLU 35 Ca 0.10 0.01 -0.06 0.00 -0.06 0.00 0.00 57.16 57.15 2o4n n GLU 35 Cb 0.51 -1.52 -0.02 0.00 -0.06 0.00 0.00 31.44 30.36 2o4n n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2o4n s MET 36 N 1.10 1.50 -0.09 5.31 0.23 -1.26 -5.08 119.30 121.01 2o4n s MET 36 Ca 0.96 -0.81 -0.18 0.00 -1.03 0.00 0.00 55.69 54.63 2o4n s MET 36 Cb -1.34 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.43 2o4n s MET 36 CO 0.66 -0.68 0.49 -1.12 -2.03 0.00 0.00 175.02 172.33 2o4n s SER 37 N -2.91 6.74 0.08 -1.18 0.01 -1.26 -5.08 113.70 110.10 2o4n s SER 37 Ca 0.11 0.88 0.06 0.00 1.31 0.00 0.00 55.95 58.31 2o4n s SER 37 Cb -0.04 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 2o4n s SER 37 CO 0.04 0.05 -0.16 -0.76 0.41 0.00 0.00 173.24 172.81 2o4n s LEU 38 N 0.33 2.29 0.59 2.44 1.43 -1.26 -4.97 118.68 119.52 2o4n s LEU 38 Ca 0.26 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 2o4n s LEU 38 Cb -0.16 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2o4n s LEU 38 CO 0.12 -0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.58 2o4n s PRO 39 N -1.80 3.24 0.10 1.29 0.04 -1.26 -4.96 135.00 131.65 2o4n s PRO 39 Ca 0.01 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2o4n s PRO 39 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2o4n s PRO 39 CO 0.03 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2o4n n GLY 40 N -0.53 -1.91 3.89 0.56 0.00 -1.26 -4.90 105.19 101.05 2o4n n GLY 40 Ca 0.10 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 2o4n n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4n s ARG 41 N -0.08 3.61 0.20 1.61 0.52 -1.26 -5.11 118.95 118.44 2o4n s ARG 41 Ca 0.00 0.35 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 2o4n s ARG 41 Cb 0.00 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 2o4n s ARG 41 CO 0.00 -0.22 -0.08 1.67 0.02 0.00 0.00 175.30 176.69 2o4n s TRP 42 N -2.71 1.54 0.16 -0.53 1.48 -1.26 -4.62 118.94 113.00 2o4n s TRP 42 Ca 0.49 -0.74 0.06 0.00 -1.06 0.00 0.00 56.10 54.85 2o4n s TRP 42 Cb -0.10 -0.81 -0.04 0.00 -1.16 0.00 0.00 33.47 31.35 2o4n s TRP 42 CO 0.43 0.15 -0.13 0.15 -4.06 0.00 0.00 176.95 173.49 2o4n s LYS 43 N -3.75 1.14 0.10 3.25 1.02 -0.90 -4.88 119.74 115.73 2o4n s LYS 43 Ca 0.23 -1.45 -0.22 0.00 0.02 0.00 0.00 55.97 54.55 2o4n s LYS 43 Cb 0.03 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.40 2o4n s LYS 43 CO 0.06 0.14 0.68 -1.25 -0.92 0.00 0.00 175.35 174.05 2o4n s PRO 44 N -3.45 4.39 -0.02 -1.68 0.04 -1.26 -1.04 135.00 131.98 2o4n s PRO 44 Ca 0.17 0.95 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 2o4n s PRO 44 Cb -0.00 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2o4n s PRO 44 CO 0.03 0.56 0.05 0.42 0.04 0.00 0.00 177.00 178.11 2o4n s ILE 45 N -0.97 -0.01 -0.11 0.56 -1.09 -1.02 -4.93 121.20 113.63 2o4n s ILE 45 Ca 0.33 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.76 2o4n s ILE 45 Cb -0.21 -0.08 -0.03 0.00 -1.58 0.00 0.00 42.46 40.56 2o4n s ILE 45 CO 0.22 0.01 -0.08 -0.04 -1.23 0.00 0.00 174.94 173.82 2o4n s MET 46 N 0.15 3.20 0.07 2.79 -1.94 -1.26 -0.76 119.30 121.55 2o4n s MET 46 Ca -0.01 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 2o4n s MET 46 Cb -0.02 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 2o4n s MET 46 CO -0.00 0.41 -0.12 0.96 -0.01 0.00 0.00 175.02 176.26 2o4n s ILE 47 N -0.13 0.98 -0.04 2.53 -4.36 -0.88 -5.00 121.20 114.30 2o4n s ILE 47 Ca 0.01 -1.33 -0.02 0.00 -0.26 0.00 0.00 60.65 59.05 2o4n s ILE 47 Cb -0.13 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.50 2o4n s ILE 47 CO 0.03 -0.32 0.11 -0.83 0.24 0.00 0.00 174.94 174.17 2o4n s GLY 48 N -1.85 2.07 0.26 6.27 0.00 -1.26 -1.47 107.32 111.34 2o4n s GLY 48 Ca -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.92 2o4n s GLY 48 CO 0.02 -0.64 0.05 0.61 0.00 0.00 0.00 173.10 173.14 2o4n n GLY 49 N 1.36 3.69 0.24 0.20 0.00 0.02 -4.99 105.19 105.70 2o4n n GLY 49 Ca -0.14 -2.14 0.16 0.00 0.00 0.00 0.00 46.02 43.89 2o4n n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2o4n h ILE 50 N 1.30 0.00 0.00 -0.61 -0.00 -2.01 -2.94 117.51 113.25 2o4n h ILE 50 Ca -0.21 -0.40 0.00 0.00 -0.00 0.00 0.00 64.86 64.25 2o4n h ILE 50 Cb 0.73 1.32 0.00 0.00 -0.00 0.00 0.00 36.82 38.87 2o4n h ILE 50 CO 0.34 0.00 -0.74 0.61 -0.00 0.00 0.00 178.15 178.36 2o4n n GLY 51 N -0.03 -1.25 0.00 0.16 0.00 -1.26 -5.07 105.19 97.74 2o4n n GLY 51 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2o4n n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4n n GLY 52 N 1.43 0.91 3.87 -0.02 0.00 -1.11 -5.11 105.19 105.15 2o4n n GLY 52 Ca 0.04 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 2o4n n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4n s PHE 53 N -2.46 3.54 0.10 1.61 0.40 -1.26 -0.80 117.98 119.11 2o4n s PHE 53 Ca 0.00 0.42 0.06 0.00 -0.60 0.00 0.00 56.93 56.81 2o4n s PHE 53 Cb 0.00 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 2o4n s PHE 53 CO 0.00 0.68 -0.15 0.96 0.70 0.00 0.00 175.22 177.40 2o4n s ILE 54 N -1.15 1.33 -0.07 0.64 -4.36 -0.54 -4.99 121.20 112.05 2o4n s ILE 54 Ca 0.20 -1.54 -0.12 0.00 -0.26 0.00 0.00 60.65 58.93 2o4n s ILE 54 Cb -0.12 -1.38 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 2o4n s ILE 54 CO 0.11 -0.28 0.30 -0.75 0.24 0.00 0.00 174.94 174.55 2o4n s LYS 55 N -2.20 3.83 0.20 0.37 2.47 -1.26 -2.08 119.74 121.07 2o4n s LYS 55 Ca 0.05 0.17 0.01 0.00 -1.56 0.00 0.00 55.97 54.64 2o4n s LYS 55 Cb -0.08 -3.25 -0.05 0.00 -1.46 0.00 0.00 37.83 32.99 2o4n s LYS 55 CO 0.03 0.62 0.05 0.14 0.16 0.00 0.00 175.35 176.36 2o4n s VAL 56 N -0.74 0.49 -0.17 4.02 -7.23 0.06 -4.60 120.40 112.23 2o4n s VAL 56 Ca 0.19 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 2o4n s VAL 56 Cb -0.14 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2o4n s VAL 56 CO 0.08 -0.26 0.06 -0.13 -0.31 0.00 0.00 175.10 174.54 2o4n s ARG 57 N -4.00 3.90 -0.32 4.82 0.52 0.58 -2.45 118.95 122.00 2o4n s ARG 57 Ca 0.30 -0.34 -0.08 0.00 -0.52 0.00 0.00 55.73 55.09 2o4n s ARG 57 Cb 0.07 -3.19 0.01 0.00 0.52 0.00 0.00 34.95 32.37 2o4n s ARG 57 CO 0.08 0.32 0.12 -1.14 0.02 0.00 0.00 175.30 174.70 2o4n s GLN 58 N 0.23 3.02 -0.11 3.54 0.74 -0.21 -0.38 119.66 126.48 2o4n s GLN 58 Ca 0.04 -0.92 -0.04 0.00 0.05 0.00 0.00 55.36 54.49 2o4n s GLN 58 Cb -0.12 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2o4n s GLN 58 CO 0.00 -0.52 0.05 0.71 -0.55 0.00 0.00 175.29 174.99 2o4n s TYR 59 N 1.51 3.29 0.15 1.67 1.51 -0.37 -2.11 117.35 123.01 2o4n s TYR 59 Ca 0.02 0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.40 2o4n s TYR 59 Cb -0.18 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 2o4n s TYR 59 CO 0.04 0.49 0.01 -0.51 -1.11 0.00 0.00 175.55 174.47 2o4n s ASP 60 N -0.71 4.90 -1.32 2.29 1.01 -1.26 -1.21 116.67 120.37 2o4n s ASP 60 Ca 0.12 -0.32 -0.01 0.00 0.71 0.00 0.00 52.55 53.05 2o4n s ASP 60 Cb -0.12 -1.10 0.01 0.00 1.01 0.00 0.00 42.92 42.72 2o4n s ASP 60 CO 0.02 0.11 0.71 0.00 0.21 0.00 0.00 175.17 176.23 2o4n n GLN 61 N 0.03 -4.94 -3.28 8.23 6.02 -1.10 -4.91 117.38 117.42 2o4n n GLN 61 Ca -0.10 0.62 -0.39 0.00 -0.01 0.00 0.00 57.00 57.12 2o4n n GLN 61 Cb 0.54 -5.19 -0.07 0.00 1.02 0.00 0.00 30.24 26.55 2o4n n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2o4n s ILE 62 N -3.65 5.14 0.06 5.09 -1.09 0.56 -4.71 121.20 122.60 2o4n s ILE 62 Ca 0.04 0.92 -0.31 0.00 -2.23 0.00 0.00 60.65 59.08 2o4n s ILE 62 Cb -0.02 -3.82 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 2o4n s ILE 62 CO 0.81 0.23 1.25 -0.76 -1.23 0.00 0.00 174.94 175.25 2o4n s LEU 63 N 1.29 4.36 -0.04 2.97 1.43 -1.26 -1.86 118.68 125.58 2o4n s LEU 63 Ca 0.24 2.08 -0.02 0.00 -1.03 0.00 0.00 54.13 55.41 2o4n s LEU 63 Cb -0.15 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.51 2o4n s LEU 63 CO 0.10 -0.53 0.08 -0.51 0.23 0.00 0.00 176.35 175.71 2o4n s ILE 64 N 1.20 -0.04 -0.27 -0.59 2.07 0.06 -4.41 121.20 119.22 2o4n s ILE 64 Ca 0.60 0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.88 2o4n s ILE 64 Cb -0.31 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 2o4n s ILE 64 CO 0.29 0.06 0.18 -0.70 -1.91 0.00 0.00 174.94 172.86 2o4n s GLU 65 N 0.80 3.94 -0.30 3.50 2.12 -0.39 -0.25 118.70 128.13 2o4n s GLU 65 Ca -0.06 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2o4n s GLU 65 Cb -0.09 -3.63 0.06 0.00 0.26 0.00 0.00 34.13 30.74 2o4n s GLU 65 CO -0.03 -0.16 -0.02 0.42 -0.54 0.00 0.00 175.26 174.92 2o4n s ILE 66 N 1.69 2.65 -1.39 -3.70 1.01 0.23 -0.83 121.20 120.86 2o4n s ILE 66 Ca 0.07 -1.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.06 2o4n s ILE 66 Cb -0.16 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.75 2o4n s ILE 66 CO 0.10 -0.16 0.80 0.00 0.00 0.00 0.00 174.94 175.68 2o4n n GLY 68 N -1.64 1.46 3.79 0.00 0.00 -1.26 -5.03 105.19 102.51 2o4n n GLY 68 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2o4n n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4n s HIS 69 N -3.05 3.47 0.05 1.61 4.02 -0.23 -5.08 115.29 116.07 2o4n s HIS 69 Ca 0.00 0.39 -0.25 0.00 1.02 0.00 0.00 55.06 56.22 2o4n s HIS 69 Cb 0.00 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.58 29.47 2o4n s HIS 69 CO 0.00 0.49 0.77 0.15 1.02 0.00 0.00 174.74 177.17 2o4n s LYS 70 N -0.31 4.51 0.06 1.40 -0.14 -1.26 0.74 119.74 124.73 2o4n s LYS 70 Ca 0.11 1.08 0.04 0.00 -1.36 0.00 0.00 55.97 55.84 2o4n s LYS 70 Cb -0.12 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.65 2o4n s LYS 70 CO 0.01 0.30 -0.11 0.00 -0.76 0.00 0.00 175.35 174.79 2o4n s ALA 71 N -0.12 0.89 -0.19 5.17 0.00 0.66 -4.78 121.76 123.38 2o4n s ALA 71 Ca 0.39 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 2o4n s ALA 71 Cb -0.21 -0.03 0.06 0.00 0.00 0.00 0.00 23.12 22.95 2o4n s ALA 71 CO 0.23 0.07 0.09 0.42 0.00 0.00 0.00 175.76 176.58 2o4n s ILE 72 N -1.35 -0.04 0.00 0.00 1.01 -1.26 -0.76 121.20 118.81 2o4n s ILE 72 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2o4n s ILE 72 Cb -0.10 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2o4n s ILE 72 CO 0.01 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.24 2o4n n GLY 73 N 5.26 2.35 3.71 6.18 0.00 -0.78 -4.78 105.19 117.13 2o4n n GLY 73 Ca -0.07 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2o4n n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4n s THR 74 N -2.75 4.87 -0.10 2.61 2.01 -1.26 -0.32 115.64 120.69 2o4n s THR 74 Ca 0.00 2.05 0.01 0.00 0.31 0.00 0.00 61.69 64.07 2o4n s THR 74 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.21 2o4n s THR 74 CO 0.00 0.16 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.28 2o4n s VAL 75 N 0.99 1.27 0.07 3.82 1.01 -0.35 -4.50 120.40 122.72 2o4n s VAL 75 Ca 0.52 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2o4n s VAL 75 Cb -0.21 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 2o4n s VAL 75 CO 0.28 0.40 0.37 -0.76 0.00 0.00 0.00 175.10 175.39 2o4n s LEU 76 N 1.17 4.35 -0.09 3.92 1.43 -0.10 -1.23 118.68 128.12 2o4n s LEU 76 Ca -0.04 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2o4n s LEU 76 Cb -0.14 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.14 2o4n s LEU 76 CO -0.03 0.18 -0.16 -0.69 0.23 0.00 0.00 176.35 175.88 2o4n s VAL 77 N -1.40 1.47 -0.10 -1.59 1.01 0.49 -1.01 120.40 119.25 2o4n s VAL 77 Ca 0.33 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2o4n s VAL 77 Cb -0.14 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2o4n s VAL 77 CO 0.18 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2o4n n GLY 78 N 3.89 -1.16 3.56 4.51 0.00 -1.03 -0.31 105.19 114.65 2o4n n GLY 78 Ca -0.21 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 2o4n n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2o4n s PRO 79 N -1.29 2.77 0.05 1.61 0.04 -1.26 -4.12 135.00 132.79 2o4n s PRO 79 Ca 0.00 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.01 2o4n s PRO 79 Cb 0.00 -4.36 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 2o4n s PRO 79 CO 0.00 -2.55 -0.12 -0.08 0.04 0.00 0.00 177.00 174.29 2o4n s THR 80 N 8.82 0.93 0.61 1.26 -1.32 -1.26 -5.02 115.64 119.66 2o4n s THR 80 Ca 0.74 -1.09 0.31 0.00 -1.21 0.00 0.00 61.69 60.45 2o4n s THR 80 Cb -0.16 -0.89 0.36 0.00 -1.51 0.00 0.00 72.50 70.30 2o4n s THR 80 CO 0.25 -0.17 2.12 1.55 -2.21 0.00 0.00 174.62 176.17 2o4n h PRO 81 N 4.65 0.00 -1.74 7.08 0.13 -1.99 -3.46 132.00 136.67 2o4n h PRO 81 Ca -0.38 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.02 2o4n h PRO 81 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2o4n h PRO 81 CO 0.42 0.00 0.71 -0.48 -0.23 0.00 0.00 178.00 178.42 2o4n s LEU 82 N -7.24 -0.10 0.19 1.56 2.34 -1.26 -5.11 118.68 109.06 2o4n s LEU 82 Ca -0.05 -0.21 -0.30 0.00 0.06 0.00 0.00 54.13 53.63 2o4n s LEU 82 Cb 0.14 1.64 -0.08 0.00 -0.56 0.00 0.00 46.19 47.33 2o4n s LEU 82 CO 0.50 -0.49 1.19 0.20 -1.06 0.00 0.00 176.35 176.69 2o4n s ASN 83 N -2.93 7.10 -0.10 1.48 0.01 -1.26 -4.67 114.94 114.57 2o4n s ASN 83 Ca 0.13 2.23 0.01 0.00 -0.71 0.00 0.00 52.86 54.53 2o4n s ASN 83 Cb 0.03 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.10 2o4n s ASN 83 CO -0.02 -0.35 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.41 2o4n s VAL 84 N -0.14 1.25 -0.33 1.60 1.01 0.18 -0.49 120.40 123.48 2o4n s VAL 84 Ca 0.52 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2o4n s VAL 84 Cb -0.32 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2o4n s VAL 84 CO 0.37 0.39 0.50 -0.63 0.00 0.00 0.00 175.10 175.73 2o4n s ILE 85 N 1.14 5.04 0.36 2.22 -1.09 0.31 -1.27 121.20 127.91 2o4n s ILE 85 Ca -0.05 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 2o4n s ILE 85 Cb -0.14 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.88 2o4n s ILE 85 CO -0.03 -0.15 0.50 0.61 -1.23 0.00 0.00 174.94 174.64 2o4n n GLY 86 N 4.74 1.56 0.29 6.18 0.00 -1.20 -1.81 105.19 114.96 2o4n n GLY 86 Ca -0.05 -2.13 0.12 0.00 0.00 0.00 0.00 46.02 43.96 2o4n n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4n h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.91 -1.15 114.38 117.01 2o4n h ARG 87 Ca -0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2o4n h ARG 87 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2o4n h ARG 87 CO 0.22 0.00 -0.11 -2.95 -1.07 0.00 0.00 179.97 176.06 2o4n h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.75 -0.78 115.58 119.03 2o4n h ASN 88 Ca 0.02 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.11 2o4n h ASN 88 Cb 0.08 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.27 2o4n h ASN 88 CO -0.00 0.11 -2.05 0.18 0.07 0.00 0.00 177.43 175.74 2o4n n LEU 89 N -4.39 0.43 -0.29 6.14 4.77 -0.88 -4.06 117.00 118.73 2o4n n LEU 89 Ca -0.03 -0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.01 2o4n n LEU 89 Cb 0.18 0.22 0.22 0.00 -2.33 0.00 0.00 43.42 41.72 2o4n n LEU 89 CO 0.35 0.44 1.08 -0.07 -1.33 0.00 0.00 177.39 177.86 2o4n h LEU 90 N 0.00 0.48 -0.68 2.23 3.38 -1.11 -1.50 115.31 118.10 2o4n h LEU 90 Ca -0.41 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2o4n h LEU 90 Cb 1.90 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 2o4n h LEU 90 CO 0.01 0.19 0.08 0.71 0.09 0.00 0.00 178.44 179.52 2o4n h THR 91 N 0.58 1.26 -0.36 0.22 1.35 -1.34 -1.79 112.91 112.84 2o4n h THR 91 Ca 0.46 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2o4n h THR 91 Cb 0.67 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 2o4n h THR 91 CO -0.38 0.40 0.23 1.56 -0.25 0.00 0.00 175.52 177.09 2o4n h GLN 92 N 1.02 0.47 -0.01 4.72 4.20 -1.43 -2.10 115.11 121.97 2o4n h GLN 92 Ca 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2o4n h GLN 92 Cb 0.47 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2o4n h GLN 92 CO 0.02 0.31 -0.03 0.44 -0.67 0.00 0.00 178.83 178.90 2o4n n ILE 93 N -4.48 0.00 -0.91 2.54 -5.35 -0.90 -4.95 119.36 105.32 2o4n n ILE 93 Ca 0.02 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2o4n n ILE 93 Cb 0.06 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 2o4n n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4n n GLY 94 N 1.19 0.88 3.73 3.28 0.00 -0.79 -5.04 105.19 108.44 2o4n n GLY 94 Ca 0.18 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2o4n n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4n s THR 96 N -0.14 1.47 -0.06 0.00 -4.23 -1.26 -4.68 115.64 106.74 2o4n s THR 96 Ca 0.45 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 2o4n s THR 96 Cb -0.23 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 2o4n s THR 96 CO 0.29 -0.60 0.39 -0.76 -0.54 0.00 0.00 174.62 173.40 2o4n s LEU 97 N -3.27 4.38 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.62 2o4n s LEU 97 Ca 0.22 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2o4n s LEU 97 Cb 0.01 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2o4n s LEU 97 CO 0.05 0.21 -0.07 0.20 0.23 0.00 0.00 176.35 176.97 2o4n s ASN 98 N -0.38 1.09 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.51 2o4n s ASN 98 Ca 0.22 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 2o4n s ASN 98 Cb -0.15 -0.36 0.00 0.00 -0.02 0.00 0.00 41.25 40.72 2o4n s ASN 98 CO 0.10 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.88