#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 3.55 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.90 2o4n s GLN 2 Ca 0.00 -0.53 -0.03 0.00 0.05 0.00 0.00 55.36 54.84 2o4n s GLN 2 Cb 0.00 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.88 2o4n s GLN 2 CO 0.00 -0.20 -0.04 0.42 -0.55 0.00 0.00 175.29 174.92 2o4n s ILE 3 N 1.57 3.19 0.82 -2.34 1.01 -1.26 -5.11 121.20 119.09 2o4n s ILE 3 Ca 0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2o4n s ILE 3 Cb -0.15 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.87 2o4n s ILE 3 CO 0.02 0.30 1.09 0.42 0.00 0.00 0.00 174.94 176.77 2o4n s THR 4 N 1.42 2.98 -0.16 2.92 -4.23 -1.26 -5.01 115.64 112.30 2o4n s THR 4 Ca 0.03 0.32 0.17 0.00 -1.18 0.00 0.00 61.69 61.03 2o4n s THR 4 Cb -0.15 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 71.09 2o4n s THR 4 CO -0.04 -0.42 1.24 0.18 -0.54 0.00 0.00 174.62 175.05 2o4n n LEU 5 N -3.57 2.86 -0.12 4.79 4.77 -1.26 -4.58 117.00 119.89 2o4n n LEU 5 Ca 0.07 -3.19 -0.00 0.00 -0.03 0.00 0.00 56.01 52.86 2o4n n LEU 5 Cb 0.56 -0.48 0.26 0.00 -2.33 0.00 0.00 43.42 41.43 2o4n n LEU 5 CO 0.56 0.80 1.08 -0.50 -1.33 0.00 0.00 177.39 178.00 2o4n h TRP 6 N 0.59 0.79 -1.39 -1.77 4.06 -2.06 -3.44 115.95 112.73 2o4n h TRP 6 Ca 0.01 -0.03 -0.63 0.00 2.06 0.00 0.00 58.89 60.30 2o4n h TRP 6 Cb 1.15 -0.25 -0.13 0.00 -1.00 0.00 0.00 29.16 28.93 2o4n h TRP 6 CO 0.25 0.59 -0.57 0.15 -3.56 0.00 0.00 178.44 175.30 2o4n s LYS 7 N -5.42 2.01 0.16 0.49 1.02 -1.26 -5.11 119.74 111.63 2o4n s LYS 7 Ca -0.10 -2.18 -0.32 0.00 0.02 0.00 0.00 55.97 53.39 2o4n s LYS 7 Cb 0.16 -1.52 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 2o4n s LYS 7 CO 0.78 -0.16 1.62 1.03 -0.92 0.00 0.00 175.35 177.70 2o4n s ARG 8 N -3.77 4.19 -1.17 1.68 0.52 -1.26 -4.89 118.95 114.24 2o4n s ARG 8 Ca 0.26 2.42 -0.21 0.00 -0.52 0.00 0.00 55.73 57.68 2o4n s ARG 8 Cb 0.07 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 2o4n s ARG 8 CO 0.13 -0.66 1.90 -0.35 0.02 0.00 0.00 175.30 176.34 2o4n n PRO 9 N 4.23 1.95 -3.45 3.54 -0.04 -1.26 -4.95 135.00 135.01 2o4n n PRO 9 Ca 0.15 -2.57 -0.38 0.00 -0.04 0.00 0.00 63.50 60.66 2o4n n PRO 9 Cb 0.38 -3.59 -0.06 0.00 -0.04 0.00 0.00 33.50 30.19 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 8.36 4.37 0.13 1.53 1.43 -1.26 -1.42 118.68 131.81 2o4n s LEU 10 Ca 0.64 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 2o4n s LEU 10 Cb 0.02 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2o4n s LEU 10 CO 0.12 0.19 -0.09 0.68 0.23 0.00 0.00 176.35 177.47 2o4n s VAL 11 N -0.27 1.01 0.03 -1.59 -7.23 -0.12 -4.95 120.40 107.28 2o4n s VAL 11 Ca 0.23 -1.95 -0.24 0.00 -1.81 0.00 0.00 61.98 58.21 2o4n s VAL 11 Cb -0.15 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2o4n s VAL 11 CO 0.11 -0.74 0.72 -0.89 -0.31 0.00 0.00 175.10 173.99 2o4n s THR 12 N -3.23 4.79 0.03 5.32 2.01 -1.26 -1.11 115.64 122.19 2o4n s THR 12 Ca 0.13 1.53 0.05 0.00 0.31 0.00 0.00 61.69 63.72 2o4n s THR 12 Cb 0.02 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2o4n s THR 12 CO -0.01 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.44 2o4n s VAL 13 N -0.04 1.27 -0.24 3.82 1.01 0.59 -4.09 120.40 122.72 2o4n s VAL 13 Ca 0.37 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2o4n s VAL 13 Cb -0.20 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2o4n s VAL 13 CO 0.21 0.13 0.10 -0.75 0.00 0.00 0.00 175.10 174.79 2o4n s LYS 14 N -0.98 3.79 -0.17 2.72 2.20 -0.05 -1.35 119.74 125.90 2o4n s LYS 14 Ca 0.04 -0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 2o4n s LYS 14 Cb -0.08 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2o4n s LYS 14 CO 0.01 -0.09 0.42 -1.50 -0.36 0.00 0.00 175.35 173.83 2o4n s ILE 15 N 1.39 -0.02 -1.39 5.43 2.07 -0.19 -1.68 121.20 126.82 2o4n s ILE 15 Ca 0.06 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.28 2o4n s ILE 15 Cb -0.15 -0.61 0.04 0.00 0.13 0.00 0.00 42.46 41.87 2o4n s ILE 15 CO 0.05 0.02 0.53 0.61 -1.91 0.00 0.00 174.94 174.25 2o4n n GLY 16 N 3.77 -0.50 2.93 1.50 0.00 -1.26 -1.08 105.19 110.54 2o4n n GLY 16 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.58 3.67 -0.02 0.00 -1.26 -5.02 105.19 101.83 2o4n n GLY 17 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.39 2.42 -0.19 1.61 -0.21 -0.24 -5.12 119.66 117.54 2o4n s GLN 18 Ca 0.00 -1.16 -0.09 0.00 0.02 0.00 0.00 55.36 54.13 2o4n s GLN 18 Cb 0.00 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 2o4n s GLN 18 CO 0.00 0.43 0.11 -0.51 -2.12 0.00 0.00 175.29 173.20 2o4n s LEU 19 N -3.14 4.08 0.01 2.90 1.43 -1.26 -1.02 118.68 121.67 2o4n s LEU 19 Ca 0.29 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.53 2o4n s LEU 19 Cb -0.09 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2o4n s LEU 19 CO 0.19 0.19 0.08 -0.54 0.23 0.00 0.00 176.35 176.51 2o4n s LYS 20 N 0.27 0.43 0.08 1.70 1.02 -0.46 -4.97 119.74 117.80 2o4n s LYS 20 Ca 0.07 -0.49 -0.25 0.00 0.02 0.00 0.00 55.97 55.32 2o4n s LYS 20 Cb -0.12 0.17 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 2o4n s LYS 20 CO -0.01 -0.10 0.77 -2.00 -0.92 0.00 0.00 175.35 173.09 2o4n s GLU 21 N -1.47 4.51 0.01 1.68 2.12 -1.26 -0.30 118.70 123.99 2o4n s GLU 21 Ca -0.15 1.09 -0.08 0.00 0.36 0.00 0.00 54.97 56.19 2o4n s GLU 21 Cb -0.08 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2o4n s GLU 21 CO 0.00 0.37 0.15 0.00 -0.54 0.00 0.00 175.26 175.25 2o4n s ALA 22 N -0.38 -0.35 -0.15 6.30 0.00 -0.26 -4.48 121.76 122.44 2o4n s ALA 22 Ca 0.38 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 2o4n s ALA 22 Cb -0.21 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2o4n s ALA 22 CO 0.24 -0.23 0.39 -1.17 0.00 0.00 0.00 175.76 174.99 2o4n s LEU 23 N -1.46 4.24 -0.45 0.00 2.96 -0.02 -0.95 118.68 123.00 2o4n s LEU 23 Ca -0.14 0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 2o4n s LEU 23 Cb -0.07 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.12 2o4n s LEU 23 CO 0.01 0.02 1.11 -0.76 -1.32 0.00 0.00 176.35 175.41 2o4n s LEU 24 N 0.71 3.71 -0.40 -0.68 1.43 -0.51 -0.09 118.68 122.85 2o4n s LEU 24 Ca 0.21 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2o4n s LEU 24 Cb -0.14 -3.52 0.11 0.00 0.03 0.00 0.00 46.19 42.68 2o4n s LEU 24 CO 0.07 -1.18 0.14 -0.62 0.23 0.00 0.00 176.35 174.99 2o4n s ASP 25 N 2.33 4.44 0.58 2.29 -1.08 -0.53 -4.80 116.67 119.90 2o4n s ASP 25 Ca 0.47 -2.42 0.35 0.00 -0.52 0.00 0.00 52.55 50.42 2o4n s ASP 25 Cb -0.08 -1.50 1.73 0.00 -1.46 0.00 0.00 42.92 41.62 2o4n s ASP 25 CO 0.29 -0.33 2.14 0.71 0.52 0.00 0.00 175.17 178.50 2o4n h THR 26 N 6.11 0.21 0.00 1.71 1.35 -1.94 -2.59 112.91 117.76 2o4n h THR 26 Ca -0.06 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2o4n h THR 26 Cb 0.97 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2o4n h THR 26 CO 0.57 0.04 -0.24 0.61 -0.25 0.00 0.00 175.52 176.25 2o4n n GLY 27 N -0.58 -1.59 3.68 5.82 0.00 -1.26 -4.75 105.19 106.51 2o4n n GLY 27 Ca -0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.12 3.51 0.21 4.61 0.00 -0.97 -4.93 121.76 121.07 2o4n s ALA 28 Ca 0.09 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.32 2o4n s ALA 28 Cb 0.13 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.93 2o4n s ALA 28 CO 0.64 -0.79 1.83 -0.44 0.00 0.00 0.00 175.76 177.01 2o4n h ASP 29 N 7.31 1.01 -2.63 0.00 3.32 -1.88 0.14 116.42 123.70 2o4n h ASP 29 Ca -0.28 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.13 2o4n h ASP 29 Cb 1.12 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.28 2o4n h ASP 29 CO 0.90 0.82 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.85 2o4n s ASP 30 N -6.14 2.91 -0.20 6.45 1.01 -1.26 -2.45 116.67 117.00 2o4n s ASP 30 Ca -0.13 -1.46 -0.06 0.00 0.71 0.00 0.00 52.55 51.61 2o4n s ASP 30 Cb 0.16 0.02 -0.03 0.00 1.01 0.00 0.00 42.92 44.08 2o4n s ASP 30 CO 0.81 -0.66 0.03 -0.89 0.21 0.00 0.00 175.17 174.67 2o4n s THR 31 N -3.13 4.31 -0.07 -1.27 2.01 -1.26 -3.04 115.64 113.20 2o4n s THR 31 Ca 0.31 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2o4n s THR 31 Cb 0.07 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.65 2o4n s THR 31 CO 0.14 0.43 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 2o4n s ILE 32 N 0.78 0.92 0.01 1.82 1.01 -0.94 -0.69 121.20 124.11 2o4n s ILE 32 Ca 0.02 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2o4n s ILE 32 Cb -0.14 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2o4n s ILE 32 CO 0.02 0.32 -0.08 -0.36 0.00 0.00 0.00 174.94 174.84 2o4n s PHE 33 N 1.02 2.84 1.02 3.97 0.40 0.10 -0.86 117.98 126.48 2o4n s PHE 33 Ca -0.08 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.06 2o4n s PHE 33 Cb -0.15 -1.59 0.18 0.00 0.51 0.00 0.00 43.02 41.97 2o4n s PHE 33 CO -0.00 0.35 0.92 0.39 0.70 0.00 0.00 175.22 177.58 2o4n n GLU 34 N 1.57 -1.20 -1.61 0.44 1.02 -1.26 -1.85 120.64 117.74 2o4n n GLU 34 Ca -0.16 -0.30 -0.61 0.00 -0.02 0.00 0.00 57.16 56.07 2o4n n GLU 34 Cb 0.52 -2.19 -0.08 0.00 -0.02 0.00 0.00 31.44 29.67 2o4n n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2o4n n GLU 35 N -4.01 0.23 -3.52 3.49 -0.58 -1.24 -4.64 120.64 110.37 2o4n n GLU 35 Ca 0.07 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 2o4n n GLU 35 Cb 0.54 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 2o4n n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o4n s MET 36 N 1.40 1.24 -0.01 3.49 0.23 -1.26 -5.05 119.30 119.35 2o4n s MET 36 Ca 0.96 -0.52 -0.22 0.00 -1.03 0.00 0.00 55.69 54.88 2o4n s MET 36 Cb -1.29 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 32.49 2o4n s MET 36 CO 0.65 -0.55 0.65 0.45 -2.03 0.00 0.00 175.02 174.19 2o4n s SER 37 N -2.72 7.02 0.08 -1.18 0.15 -1.26 -5.04 113.70 110.75 2o4n s SER 37 Ca 0.04 1.22 0.03 0.00 0.70 0.00 0.00 55.95 57.94 2o4n s SER 37 Cb -0.02 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2o4n s SER 37 CO -0.08 0.04 -0.09 -0.76 1.20 0.00 0.00 173.24 173.55 2o4n s LEU 38 N 0.03 2.37 0.57 3.45 1.43 -1.26 -4.87 118.68 120.40 2o4n s LEU 38 Ca 0.34 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2o4n s LEU 38 Cb -0.19 -0.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.73 2o4n s LEU 38 CO 0.18 -0.26 0.99 -2.16 0.23 0.00 0.00 176.35 175.33 2o4n s PRO 39 N -2.56 3.70 0.40 1.29 0.05 -1.26 -4.99 135.00 131.63 2o4n s PRO 39 Ca 0.02 0.75 0.00 0.00 0.05 0.00 0.00 61.00 61.82 2o4n s PRO 39 Cb -0.04 -2.13 0.00 0.00 0.05 0.00 0.00 34.50 32.38 2o4n s PRO 39 CO -0.00 -0.43 0.00 0.41 0.05 0.00 0.00 177.00 177.02 2o4n n GLY 40 N -2.31 -2.28 3.81 0.56 0.00 -1.26 -4.93 105.19 98.78 2o4n n GLY 40 Ca 0.06 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.28 3.79 0.08 1.61 0.52 -1.26 -5.08 118.95 118.33 2o4n s ARG 41 Ca 0.00 1.20 -0.08 0.00 -0.52 0.00 0.00 55.73 56.33 2o4n s ARG 41 Cb 0.00 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.36 2o4n s ARG 41 CO 0.00 -0.42 0.16 1.67 0.02 0.00 0.00 175.30 176.73 2o4n s TRP 42 N -2.26 0.20 0.05 -0.53 1.48 -1.26 -4.34 118.94 112.28 2o4n s TRP 42 Ca 0.64 -0.65 0.04 0.00 -1.06 0.00 0.00 56.10 55.07 2o4n s TRP 42 Cb -0.14 -0.10 -0.02 0.00 -1.16 0.00 0.00 33.47 32.05 2o4n s TRP 42 CO 0.25 -0.53 -0.12 -1.59 -4.06 0.00 0.00 176.95 170.90 2o4n s LYS 43 N -3.87 0.77 0.14 3.25 -2.85 -1.02 -4.94 119.74 111.23 2o4n s LYS 43 Ca 0.05 -0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 2o4n s LYS 43 Cb 0.05 -0.73 -0.07 0.00 -2.06 0.00 0.00 37.83 35.02 2o4n s LYS 43 CO -0.11 0.17 1.10 -1.25 0.10 0.00 0.00 175.35 175.36 2o4n s PRO 44 N -1.41 4.57 0.30 1.78 0.04 -1.26 -0.98 135.00 138.04 2o4n s PRO 44 Ca -0.02 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.75 2o4n s PRO 44 Cb -0.09 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2o4n s PRO 44 CO 0.01 0.01 0.21 0.96 0.04 0.00 0.00 177.00 178.24 2o4n s ILE 45 N 0.09 0.09 -0.10 0.56 -4.36 -0.27 -4.94 121.20 112.27 2o4n s ILE 45 Ca 0.51 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2o4n s ILE 45 Cb -0.29 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 40.95 2o4n s ILE 45 CO 0.33 0.00 -0.13 -0.04 0.24 0.00 0.00 174.94 175.34 2o4n s MET 46 N -3.71 2.00 0.11 0.37 -1.94 -1.26 -1.45 119.30 113.42 2o4n s MET 46 Ca 0.39 -0.48 0.10 0.00 -1.71 0.00 0.00 55.69 53.98 2o4n s MET 46 Cb 0.04 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.10 2o4n s MET 46 CO 0.21 -0.08 -0.25 0.96 -0.01 0.00 0.00 175.02 175.85 2o4n s ILE 47 N 1.04 2.07 0.18 2.53 -4.36 -0.55 -4.95 121.20 117.15 2o4n s ILE 47 Ca -0.06 -1.65 0.10 0.00 -0.26 0.00 0.00 60.65 58.78 2o4n s ILE 47 Cb -0.15 -1.84 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 2o4n s ILE 47 CO -0.02 0.07 -0.21 -0.83 0.24 0.00 0.00 174.94 174.20 2o4n s GLY 48 N -1.92 1.55 0.00 6.27 0.00 -1.26 -1.33 107.32 110.64 2o4n s GLY 48 Ca 0.11 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2o4n s GLY 48 CO 0.05 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.15 2o4n n GLY 49 N 0.25 3.16 3.75 0.20 0.00 -0.44 -4.98 105.19 107.14 2o4n n GLY 49 Ca -0.13 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 2o4n n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o4n s ILE 50 N -1.48 2.33 0.00 -0.61 1.09 -1.26 -1.66 121.20 119.61 2o4n s ILE 50 Ca 0.00 0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.83 2o4n s ILE 50 Cb 0.00 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.22 2o4n s ILE 50 CO 0.00 0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.50 2o4n n GLY 51 N 2.03 0.79 0.00 6.18 0.00 -1.26 -4.92 105.19 108.01 2o4n n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.27 0.02 3.68 -0.02 0.00 -0.66 -5.04 105.19 100.91 2o4n n GLY 52 Ca 0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 2.98 0.03 1.61 0.40 -1.26 -1.33 117.98 120.41 2o4n s PHE 53 Ca 0.00 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 2o4n s PHE 53 Cb 0.00 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 2o4n s PHE 53 CO 0.00 0.48 -0.08 0.96 0.70 0.00 0.00 175.22 177.28 2o4n s ILE 54 N -1.32 0.56 -0.06 0.64 -4.36 -0.44 -4.98 121.20 111.25 2o4n s ILE 54 Ca 0.26 -0.87 -0.15 0.00 -0.26 0.00 0.00 60.65 59.62 2o4n s ILE 54 Cb -0.12 -0.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.96 2o4n s ILE 54 CO 0.18 -0.23 0.40 -0.75 0.24 0.00 0.00 174.94 174.78 2o4n s LYS 55 N -1.20 4.06 0.05 0.37 2.20 -1.26 -1.49 119.74 122.47 2o4n s LYS 55 Ca -0.06 0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 2o4n s LYS 55 Cb -0.08 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2o4n s LYS 55 CO 0.00 0.50 -0.04 0.14 -0.36 0.00 0.00 175.35 175.60 2o4n s VAL 56 N -0.44 0.27 -0.23 4.02 -7.23 -0.53 -4.44 120.40 111.83 2o4n s VAL 56 Ca 0.23 -1.74 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 2o4n s VAL 56 Cb -0.16 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 2o4n s VAL 56 CO 0.11 -0.93 0.22 -0.13 -0.31 0.00 0.00 175.10 174.05 2o4n s ARG 57 N -3.68 4.09 -0.32 4.82 0.52 0.15 -1.11 118.95 123.42 2o4n s ARG 57 Ca 0.05 -0.16 -0.20 0.00 -0.52 0.00 0.00 55.73 54.91 2o4n s ARG 57 Cb 0.06 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2o4n s ARG 57 CO -0.08 0.02 0.60 -1.14 0.02 0.00 0.00 175.30 174.72 2o4n s GLN 58 N 1.17 3.83 -0.13 3.54 0.74 -0.15 -0.99 119.66 127.66 2o4n s GLN 58 Ca 0.10 0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.67 2o4n s GLN 58 Cb -0.14 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2o4n s GLN 58 CO 0.06 -0.60 -0.05 0.71 -0.55 0.00 0.00 175.29 174.86 2o4n s TYR 59 N 2.57 3.00 0.25 1.67 1.51 -0.56 -2.42 117.35 123.37 2o4n s TYR 59 Ca 0.24 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 2o4n s TYR 59 Cb -0.15 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 2o4n s TYR 59 CO 0.12 0.04 0.26 -0.51 -1.11 0.00 0.00 175.55 174.35 2o4n s ASP 60 N 0.10 5.83 -1.25 2.29 1.01 -1.26 -0.93 116.67 122.46 2o4n s ASP 60 Ca -0.01 -0.13 -0.03 0.00 0.71 0.00 0.00 52.55 53.09 2o4n s ASP 60 Cb -0.14 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.21 2o4n s ASP 60 CO 0.03 -0.06 0.76 0.00 0.21 0.00 0.00 175.17 176.11 2o4n n GLN 61 N -1.28 -4.41 -3.61 8.23 6.02 -1.17 -4.93 117.38 116.23 2o4n n GLN 61 Ca -0.08 0.65 -0.36 0.00 -0.01 0.00 0.00 57.00 57.20 2o4n n GLN 61 Cb 0.58 -5.20 -0.08 0.00 1.02 0.00 0.00 30.24 26.56 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 -3.59 5.35 0.11 5.09 -1.09 0.08 -4.82 121.20 122.33 2o4n s ILE 62 Ca 0.10 0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.61 2o4n s ILE 62 Cb -0.02 -3.56 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2o4n s ILE 62 CO 0.80 0.40 1.05 -0.22 -1.23 0.00 0.00 174.94 175.74 2o4n s LEU 63 N 0.50 4.45 0.13 2.97 2.96 -1.26 -1.81 118.68 126.63 2o4n s LEU 63 Ca 0.13 1.91 0.05 0.00 -0.22 0.00 0.00 54.13 55.99 2o4n s LEU 63 Cb -0.12 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2o4n s LEU 63 CO 0.02 -0.21 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.21 2o4n s ILE 64 N 0.25 1.18 -0.04 6.68 2.07 -0.21 -4.42 121.20 126.71 2o4n s ILE 64 Ca 0.50 -1.90 -0.01 0.00 -1.41 0.00 0.00 60.65 57.83 2o4n s ILE 64 Cb -0.26 -1.68 0.03 0.00 0.13 0.00 0.00 42.46 40.68 2o4n s ILE 64 CO 0.31 -0.63 0.03 -0.70 -1.91 0.00 0.00 174.94 172.05 2o4n s GLU 65 N -3.30 0.11 -0.21 3.50 2.12 -0.68 -1.23 118.70 119.03 2o4n s GLU 65 Ca 0.13 0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.71 2o4n s GLU 65 Cb -0.00 -0.53 0.04 0.00 0.26 0.00 0.00 34.13 33.89 2o4n s GLU 65 CO 0.01 -0.26 -0.13 0.42 -0.54 0.00 0.00 175.26 174.76 2o4n s ILE 66 N 1.70 1.89 -1.48 -3.70 1.01 0.08 -0.87 121.20 119.83 2o4n s ILE 66 Ca -0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 2o4n s ILE 66 Cb -0.13 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.50 2o4n s ILE 66 CO -0.03 0.24 0.51 0.00 0.00 0.00 0.00 174.94 175.66 2o4n n GLY 68 N -1.87 2.26 3.62 0.00 0.00 -1.26 -5.00 105.19 102.94 2o4n n GLY 68 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.44 3.27 0.20 1.61 4.02 0.03 -5.07 115.29 116.91 2o4n s HIS 69 Ca 0.00 0.64 -0.18 0.00 1.02 0.00 0.00 55.06 56.54 2o4n s HIS 69 Cb 0.00 -2.72 -0.08 0.00 -1.02 0.00 0.00 32.58 28.77 2o4n s HIS 69 CO 0.00 -0.28 0.66 0.21 1.02 0.00 0.00 174.74 176.35 2o4n s LYS 70 N 2.29 4.14 0.23 1.40 2.20 -1.26 -0.74 119.74 128.00 2o4n s LYS 70 Ca 0.21 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.43 2o4n s LYS 70 Cb -0.16 -2.88 -0.01 0.00 -1.51 0.00 0.00 37.83 33.28 2o4n s LYS 70 CO 0.09 0.42 0.44 0.00 -0.36 0.00 0.00 175.35 175.94 2o4n s ALA 71 N -1.52 -0.16 0.01 3.13 0.00 -0.36 -4.75 121.76 118.11 2o4n s ALA 71 Ca 0.41 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2o4n s ALA 71 Cb -0.16 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 2o4n s ALA 71 CO 0.20 -0.82 -0.03 -1.50 0.00 0.00 0.00 175.76 173.62 2o4n s ILE 72 N -4.02 0.19 -0.69 0.00 2.07 -1.26 -1.05 121.20 116.44 2o4n s ILE 72 Ca 0.22 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 2o4n s ILE 72 Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 42.46 42.38 2o4n s ILE 72 CO 0.08 -0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2o4n n GLY 73 N 2.60 -1.27 3.73 1.50 0.00 -0.75 -4.91 105.19 106.08 2o4n n GLY 73 Ca -0.16 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.86 4.13 -0.10 2.61 2.01 -1.26 -0.74 115.64 119.43 2o4n s THR 74 Ca 0.00 1.75 0.02 0.00 0.31 0.00 0.00 61.69 63.77 2o4n s THR 74 Cb 0.00 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.41 2o4n s THR 74 CO 0.00 0.26 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.35 2o4n s VAL 75 N 0.08 1.44 0.17 3.82 1.01 -0.10 -4.53 120.40 122.29 2o4n s VAL 75 Ca 0.50 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 2o4n s VAL 75 Cb -0.27 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2o4n s VAL 75 CO 0.32 0.43 0.39 -0.76 0.00 0.00 0.00 175.10 175.48 2o4n s LEU 76 N 0.91 4.24 -0.04 3.92 1.43 0.13 -1.49 118.68 127.78 2o4n s LEU 76 Ca -0.09 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 2o4n s LEU 76 Cb -0.15 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 42.79 2o4n s LEU 76 CO -0.00 0.01 -0.03 -0.69 0.23 0.00 0.00 176.35 175.87 2o4n s VAL 77 N -1.74 0.41 -2.75 -1.59 1.01 -0.16 -0.72 120.40 114.85 2o4n s VAL 77 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2o4n s VAL 77 Cb -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2o4n s VAL 77 CO 0.26 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2o4n n GLY 78 N 4.18 -0.79 2.01 4.51 0.00 -0.77 0.34 105.19 114.67 2o4n n GLY 78 Ca -0.24 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2o4n n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4n n PRO 79 N 0.00 1.96 -2.39 1.61 -0.04 -1.26 -3.68 135.00 131.20 2o4n n PRO 79 Ca 0.00 -1.06 -0.37 0.00 -0.04 0.00 0.00 63.50 62.03 2o4n n PRO 79 Cb 0.00 -1.94 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 2o4n n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4n s THR 80 N 0.60 3.39 0.27 0.52 -1.32 -1.26 -4.95 115.64 112.89 2o4n s THR 80 Ca 0.61 1.05 0.37 0.00 -1.21 0.00 0.00 61.69 62.51 2o4n s THR 80 Cb 0.30 -3.54 0.38 0.00 -1.51 0.00 0.00 72.50 68.14 2o4n s THR 80 CO -0.02 -0.00 2.10 1.55 -2.21 0.00 0.00 174.62 176.04 2o4n h PRO 81 N 2.26 0.00 -2.40 7.08 0.13 -1.98 -3.43 132.00 133.66 2o4n h PRO 81 Ca -0.49 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2o4n h PRO 81 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2o4n h PRO 81 CO 0.61 0.00 0.45 -0.48 -0.23 0.00 0.00 178.00 178.35 2o4n s LEU 82 N -5.81 -0.38 0.21 1.56 2.34 -1.26 -5.08 118.68 110.26 2o4n s LEU 82 Ca -0.02 -0.04 -0.30 0.00 0.06 0.00 0.00 54.13 53.83 2o4n s LEU 82 Cb 0.10 2.13 -0.09 0.00 -0.56 0.00 0.00 46.19 47.78 2o4n s LEU 82 CO 0.43 -0.70 1.30 0.20 -1.06 0.00 0.00 176.35 176.51 2o4n s ASN 83 N -2.56 6.91 -0.06 1.48 0.01 -1.26 -4.62 114.94 114.84 2o4n s ASN 83 Ca 0.05 2.40 0.01 0.00 -0.71 0.00 0.00 52.86 54.62 2o4n s ASN 83 Cb -0.01 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2o4n s ASN 83 CO -0.09 -0.51 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.22 2o4n s VAL 84 N 0.02 0.80 -0.31 1.60 1.01 -0.04 -0.84 120.40 122.63 2o4n s VAL 84 Ca 0.56 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2o4n s VAL 84 Cb -0.36 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2o4n s VAL 84 CO 0.39 0.28 0.45 -0.63 0.00 0.00 0.00 175.10 175.60 2o4n s ILE 85 N 0.85 5.09 0.65 2.22 -1.09 0.87 -2.21 121.20 127.58 2o4n s ILE 85 Ca -0.12 0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.78 2o4n s ILE 85 Cb -0.15 -3.85 0.11 0.00 -1.58 0.00 0.00 42.46 36.99 2o4n s ILE 85 CO 0.01 -0.05 0.90 -0.83 -1.23 0.00 0.00 174.94 173.74 2o4n s GLY 86 N 1.69 1.75 0.42 6.18 0.00 -1.17 -1.45 107.32 114.74 2o4n s GLY 86 Ca 0.17 -1.91 0.12 0.00 0.00 0.00 0.00 44.72 43.11 2o4n s GLY 86 CO 0.11 -1.39 1.96 3.21 0.00 0.00 0.00 173.10 177.00 2o4n h ARG 87 N -0.21 0.47 -0.42 2.90 3.08 -0.70 -1.76 114.38 117.74 2o4n h ARG 87 Ca -0.34 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 59.81 2o4n h ARG 87 Cb 1.28 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2o4n h ARG 87 CO 0.40 0.31 0.45 -2.95 -1.07 0.00 0.00 179.97 177.11 2o4n h ASN 88 N 0.48 0.00 0.00 7.04 -1.07 -1.74 -2.40 115.58 117.89 2o4n h ASN 88 Ca 0.30 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.45 2o4n h ASN 88 Cb 0.55 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.76 2o4n h ASN 88 CO -0.09 0.00 -1.84 0.18 0.07 0.00 0.00 177.43 175.74 2o4n n LEU 89 N -3.73 1.16 -0.28 6.14 4.77 -0.79 -4.53 117.00 119.75 2o4n n LEU 89 Ca 0.08 -0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 2o4n n LEU 89 Cb 0.63 -0.03 0.29 0.00 -2.33 0.00 0.00 43.42 41.98 2o4n n LEU 89 CO 0.28 0.48 1.24 -0.07 -1.33 0.00 0.00 177.39 177.98 2o4n h LEU 90 N 0.00 0.81 -0.94 2.23 3.38 -1.10 -2.13 115.31 117.56 2o4n h LEU 90 Ca -0.33 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2o4n h LEU 90 Cb 1.66 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 2o4n h LEU 90 CO -0.01 0.49 0.61 0.71 0.09 0.00 0.00 178.44 180.34 2o4n h THR 91 N 0.91 1.15 -0.04 0.22 1.35 -1.68 -0.68 112.91 114.14 2o4n h THR 91 Ca 0.39 -0.41 -0.13 0.00 -0.55 0.00 0.00 66.41 65.72 2o4n h THR 91 Cb 0.33 -0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.61 2o4n h THR 91 CO -0.16 0.22 -0.55 1.56 -0.25 0.00 0.00 175.52 176.33 2o4n h GLN 92 N 1.18 0.12 -0.05 4.72 1.08 -1.62 -0.68 115.11 119.86 2o4n h GLN 92 Ca 0.38 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2o4n h GLN 92 Cb 0.01 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2o4n h GLN 92 CO -0.12 0.64 0.00 0.44 -0.95 0.00 0.00 178.83 178.83 2o4n n ILE 93 N -3.90 0.05 -1.92 2.54 -5.35 -1.15 -4.91 119.36 104.73 2o4n n ILE 93 Ca -0.02 -0.16 -0.04 0.00 -0.27 0.00 0.00 62.75 62.26 2o4n n ILE 93 Cb 0.57 0.06 -0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 1.04 0.29 3.69 3.28 0.00 -0.26 -5.00 105.19 108.22 2o4n n GLY 94 Ca 0.18 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 2.07 1.90 -0.13 0.00 -4.23 -1.26 -4.63 115.64 109.37 2o4n s THR 96 Ca 0.56 -2.22 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 2o4n s THR 96 Cb -0.25 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 2o4n s THR 96 CO 0.23 -0.40 0.31 -0.76 -0.54 0.00 0.00 174.62 173.46 2o4n s LEU 97 N -3.44 4.29 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.38 2o4n s LEU 97 Ca 0.28 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2o4n s LEU 97 Cb 0.01 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 2o4n s LEU 97 CO 0.11 0.15 -0.09 0.20 0.23 0.00 0.00 176.35 176.96 2o4n s ASN 98 N 0.12 1.12 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.04 2o4n s ASN 98 Ca 0.18 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 2o4n s ASN 98 Cb -0.14 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 2o4n s ASN 98 CO 0.06 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.91