#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcw s GLN 2 N 0.00 0.38 -0.14 0.54 0.74 -1.26 -5.12 119.66 114.80 1tcw s GLN 2 Ca 0.00 0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.96 1tcw s GLN 2 Cb 0.00 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.26 1tcw s GLN 2 CO 0.00 -0.07 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.41 1tcw s PHE 3 N 0.45 2.52 -2.06 1.67 0.40 -1.26 -5.04 117.98 114.67 1tcw s PHE 3 Ca -0.02 -1.32 0.11 0.00 -0.60 0.00 0.00 56.93 55.10 1tcw s PHE 3 Cb -0.04 -1.74 0.42 0.00 0.51 0.00 0.00 43.02 42.17 1tcw s PHE 3 CO -0.02 -0.63 1.31 0.43 0.70 0.00 0.00 175.22 177.00 1tcw n SER 4 N 4.27 1.11 -0.00 1.36 7.64 -1.26 -4.96 113.62 121.77 1tcw n SER 4 Ca -0.20 -1.87 -0.00 0.00 1.01 0.00 0.00 58.87 57.82 1tcw n SER 4 Cb 0.51 -0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1tcw n SER 4 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1tcw n LEU 5 N 0.05 0.84 0.03 -3.43 4.77 -1.26 -4.77 117.00 113.24 1tcw n LEU 5 Ca 0.10 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 1tcw n LEU 5 Cb 0.20 -2.19 -0.06 0.00 -2.33 0.00 0.00 43.42 39.03 1tcw n LEU 5 CO 0.07 -0.85 0.19 -0.50 -1.33 0.00 0.00 177.39 174.97 1tcw h TRP 6 N 0.00 0.88 -3.13 -1.77 4.06 -2.05 -3.44 115.95 110.50 1tcw h TRP 6 Ca -0.00 -0.44 -0.64 0.00 2.06 0.00 0.00 58.89 59.86 1tcw h TRP 6 Cb 0.85 -0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.80 1tcw h TRP 6 CO 0.53 1.27 -0.58 1.03 -3.56 0.00 0.00 178.44 177.12 1tcw s ARG 7 N -3.45 3.00 0.07 0.49 1.81 -1.26 -5.08 118.95 114.53 1tcw s ARG 7 Ca -0.08 -0.59 -0.31 0.00 -1.72 0.00 0.00 55.73 53.04 1tcw s ARG 7 Cb 0.08 -2.81 -0.09 0.00 -0.45 0.00 0.00 34.95 31.69 1tcw s ARG 7 CO 0.89 0.60 1.80 1.03 -0.68 0.00 0.00 175.30 178.95 1tcw s ARG 8 N -2.13 4.16 -0.07 3.54 0.52 -1.26 -4.85 118.95 118.85 1tcw s ARG 8 Ca 0.27 2.49 -0.30 0.00 -0.52 0.00 0.00 55.73 57.67 1tcw s ARG 8 Cb -0.12 -3.79 -0.36 0.00 0.52 0.00 0.00 34.95 31.20 1tcw s ARG 8 CO 0.19 -0.84 1.60 -0.35 0.02 0.00 0.00 175.30 175.92 1tcw n PRO 9 N 6.30 0.01 -3.90 3.54 -0.04 -1.26 -4.92 135.00 134.73 1tcw n PRO 9 Ca 0.18 -1.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.26 1tcw n PRO 9 Cb 0.40 -2.56 -0.07 0.00 -0.04 0.00 0.00 33.50 31.23 1tcw n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1tcw s VAL 10 N 7.61 5.28 0.31 0.52 0.11 -1.26 -0.95 120.40 132.02 1tcw s VAL 10 Ca 0.68 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.90 1tcw s VAL 10 Cb 0.13 -3.34 -0.01 0.00 -1.53 0.00 0.00 36.38 31.63 1tcw s VAL 10 CO 0.33 0.55 0.14 1.33 -3.33 0.00 0.00 175.10 174.12 1tcw n VAL 11 N 2.63 0.00 -4.25 2.04 0.24 0.44 -4.90 118.33 114.52 1tcw n VAL 11 Ca -0.18 -1.89 -0.35 0.00 -2.04 0.00 0.00 64.34 59.88 1tcw n VAL 11 Cb 0.54 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.55 1tcw n VAL 11 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1tcw s THR 12 N -2.83 4.41 0.27 3.34 2.01 -1.26 -0.23 115.64 121.35 1tcw s THR 12 Ca 0.20 -0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.11 1tcw s THR 12 Cb 0.01 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1tcw s THR 12 CO 0.14 0.54 -0.15 0.00 -0.69 0.00 0.00 174.62 174.45 1tcw s ALA 13 N -0.21 2.52 -0.25 7.40 0.00 0.31 -4.32 121.76 127.20 1tcw s ALA 13 Ca 0.06 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 1tcw s ALA 13 Cb -0.12 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.95 1tcw s ALA 13 CO 0.02 0.15 0.07 -1.01 0.00 0.00 0.00 175.76 174.98 1tcw s HIS 14 N -2.72 1.28 -0.29 0.00 3.76 -0.58 -0.88 115.29 115.87 1tcw s HIS 14 Ca 0.28 -1.24 -0.16 0.00 -0.15 0.00 0.00 55.06 53.79 1tcw s HIS 14 Cb -0.02 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 1tcw s HIS 14 CO 0.12 -0.74 0.42 0.42 -0.85 0.00 0.00 174.74 174.11 1tcw s ILE 15 N 1.77 5.13 -1.19 0.60 1.01 0.12 -2.88 121.20 125.76 1tcw s ILE 15 Ca 0.04 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.11 1tcw s ILE 15 Cb -0.17 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1tcw s ILE 15 CO -0.18 0.05 0.22 1.21 0.00 0.00 0.00 174.94 176.25 1tcw n GLU 16 N 5.44 -0.71 0.00 2.79 2.13 -0.78 0.82 120.64 130.33 1tcw n GLU 16 Ca -0.07 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1tcw n GLU 16 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 1tcw n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tcw n GLY 17 N -2.17 2.86 3.66 8.31 0.00 -1.26 -5.03 105.19 111.55 1tcw n GLY 17 Ca -0.20 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1tcw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tcw s GLN 18 N 0.00 4.19 0.17 1.61 -0.21 0.24 -4.88 119.66 120.77 1tcw s GLN 18 Ca 0.00 1.77 -0.32 0.00 0.02 0.00 0.00 55.36 56.83 1tcw s GLN 18 Cb 0.00 -3.84 -0.12 0.00 1.00 0.00 0.00 33.01 30.05 1tcw s GLN 18 CO 0.00 -0.78 1.75 -2.30 -2.12 0.00 0.00 175.29 171.83 1tcw n PRO 19 N 6.82 2.68 -3.77 2.91 -0.02 -1.26 0.11 135.00 142.47 1tcw n PRO 19 Ca 0.15 0.97 -0.13 0.00 -2.02 0.00 0.00 63.50 62.47 1tcw n PRO 19 Cb 0.44 -2.82 -0.11 0.00 -0.02 0.00 0.00 33.50 30.99 1tcw n PRO 19 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1tcw s VAL 20 N 1.73 0.00 -0.21 -1.45 -7.23 -0.05 -4.95 120.40 108.23 1tcw s VAL 20 Ca 0.78 -0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.69 1tcw s VAL 20 Cb -0.53 -0.43 -0.00 0.00 0.56 0.00 0.00 36.38 35.98 1tcw s VAL 20 CO 0.35 -0.00 0.89 -1.61 -0.31 0.00 0.00 175.10 174.42 1tcw s GLU 21 N 0.16 4.24 0.16 4.82 0.41 -1.26 -0.53 118.70 126.70 1tcw s GLU 21 Ca -0.00 1.09 0.08 0.00 -0.41 0.00 0.00 54.97 55.73 1tcw s GLU 21 Cb -0.02 -3.62 -0.04 0.00 -1.78 0.00 0.00 34.13 28.67 1tcw s GLU 21 CO 0.00 -0.49 -0.17 0.14 -0.49 0.00 0.00 175.26 174.25 1tcw s VAL 22 N 2.73 1.73 -0.20 2.63 -7.23 0.68 -4.42 120.40 116.32 1tcw s VAL 22 Ca 0.39 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.56 1tcw s VAL 22 Cb -0.16 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1tcw s VAL 22 CO 0.09 -0.36 0.10 -0.22 -0.31 0.00 0.00 175.10 174.39 1tcw s LEU 23 N -2.70 3.93 -0.60 1.32 2.96 0.66 -0.42 118.68 123.83 1tcw s LEU 23 Ca 0.15 0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.89 1tcw s LEU 23 Cb -0.05 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1tcw s LEU 23 CO 0.06 0.14 1.57 -0.76 -1.32 0.00 0.00 176.35 176.04 1tcw s LEU 24 N 0.61 3.32 -0.26 -0.68 1.02 -0.13 -0.86 118.68 121.71 1tcw s LEU 24 Ca 0.05 0.23 -0.02 0.00 0.02 0.00 0.00 54.13 54.41 1tcw s LEU 24 Cb -0.13 -2.80 0.03 0.00 0.02 0.00 0.00 46.19 43.31 1tcw s LEU 24 CO 0.01 -1.97 -0.04 -0.62 0.02 0.00 0.00 176.35 173.75 1tcw s ASP 25 N 5.71 4.46 0.17 2.29 2.15 0.49 -4.80 116.67 127.13 1tcw s ASP 25 Ca 0.56 -0.91 0.26 0.00 0.43 0.00 0.00 52.55 52.89 1tcw s ASP 25 Cb -0.12 -1.69 0.75 0.00 -0.30 0.00 0.00 42.92 41.56 1tcw s ASP 25 CO 0.22 -0.15 1.69 0.35 -0.17 0.00 0.00 175.17 177.12 1tcw n THR 26 N 4.68 0.50 1.28 1.71 -2.24 -1.26 -2.99 114.28 115.96 1tcw n THR 26 Ca -0.16 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1tcw n THR 26 Cb 0.47 -0.48 0.62 0.00 -2.10 0.00 0.00 70.33 68.83 1tcw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tcw n GLY 27 N 1.33 -1.19 3.63 3.38 0.00 -1.26 -4.79 105.19 106.29 1tcw n GLY 27 Ca 0.05 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1tcw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcw s ALA 28 N -2.67 3.41 0.15 4.61 0.00 -1.16 -4.99 121.76 121.12 1tcw s ALA 28 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 1tcw s ALA 28 Cb 0.20 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1tcw s ALA 28 CO 0.51 0.13 1.35 -0.44 0.00 0.00 0.00 175.76 177.30 1tcw h ASP 29 N 6.81 0.42 -1.40 0.00 5.19 -1.88 0.11 116.42 125.67 1tcw h ASP 29 Ca -0.37 -0.33 -0.63 0.00 -0.62 0.00 0.00 57.03 55.08 1tcw h ASP 29 Cb 1.17 -0.13 -0.13 0.00 0.18 0.00 0.00 39.33 40.42 1tcw h ASP 29 CO 0.70 1.12 -0.52 -1.81 -3.12 0.00 0.00 179.24 175.61 1tcw s ASP 30 N -7.01 3.65 -0.18 6.45 1.01 -1.26 -3.19 116.67 116.13 1tcw s ASP 30 Ca -0.05 -1.65 -0.04 0.00 0.71 0.00 0.00 52.55 51.53 1tcw s ASP 30 Cb 0.10 0.48 -0.02 0.00 1.01 0.00 0.00 42.92 44.48 1tcw s ASP 30 CO 0.85 -0.86 -0.04 -0.44 0.21 0.00 0.00 175.17 174.88 1tcw s SER 31 N -3.77 4.54 -0.08 0.27 0.01 -1.26 -2.55 113.70 110.86 1tcw s SER 31 Ca 0.13 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1tcw s SER 31 Cb 0.02 -1.76 0.02 0.00 0.21 0.00 0.00 66.02 64.52 1tcw s SER 31 CO 0.08 0.09 -0.06 -0.63 0.41 0.00 0.00 173.24 173.13 1tcw s ILE 32 N 0.85 0.75 0.12 1.44 1.01 -0.26 -0.75 121.20 124.37 1tcw s ILE 32 Ca -0.01 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1tcw s ILE 32 Cb -0.15 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1tcw s ILE 32 CO 0.01 0.30 -0.24 0.68 0.00 0.00 0.00 174.94 175.70 1tcw s VAL 33 N 1.41 1.97 0.21 2.92 -7.23 -0.26 -0.80 120.40 118.61 1tcw s VAL 33 Ca -0.02 -1.67 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 1tcw s VAL 33 Cb -0.13 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1tcw s VAL 33 CO -0.03 -0.01 -0.15 0.28 -0.31 0.00 0.00 175.10 174.88 1tcw s THR 34 N -1.17 1.81 0.00 5.32 -1.32 -1.26 -2.94 115.64 116.08 1tcw s THR 34 Ca 0.10 -2.21 0.00 0.00 -1.21 0.00 0.00 61.69 58.38 1tcw s THR 34 Cb -0.10 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 1tcw s THR 34 CO 0.05 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.52 1tcw n GLY 35 N -0.35 0.54 3.10 6.08 0.00 -1.26 -4.99 105.19 108.31 1tcw n GLY 35 Ca -0.08 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1tcw n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1tcw s ILE 36 N -2.00 0.13 -0.03 -0.61 2.07 -1.26 -5.14 121.20 114.36 1tcw s ILE 36 Ca 0.00 -1.07 -0.00 0.00 -1.41 0.00 0.00 60.65 58.17 1tcw s ILE 36 Cb 0.00 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.81 1tcw s ILE 36 CO 0.00 -0.59 0.02 -1.61 -1.91 0.00 0.00 174.94 170.85 1tcw s GLU 37 N -2.41 0.18 0.00 3.50 8.01 -1.26 -5.02 118.70 121.69 1tcw s GLU 37 Ca -0.07 0.17 0.13 0.00 0.01 0.00 0.00 54.97 55.21 1tcw s GLU 37 Cb -0.02 -0.48 0.12 0.00 -4.31 0.00 0.00 34.13 29.43 1tcw s GLU 37 CO -0.04 -0.20 0.93 1.28 0.01 0.00 0.00 175.26 177.25 1tcw n LEU 38 N 4.48 2.14 0.00 1.80 4.77 -1.26 -5.12 117.00 123.81 1tcw n LEU 38 Ca -0.20 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 1tcw n LEU 38 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1tcw n LEU 38 CO 0.18 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1tcw n GLY 39 N 0.73 1.65 0.21 -0.72 0.00 -1.26 -4.84 105.19 100.96 1tcw n GLY 39 Ca 0.08 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 44.04 1tcw n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tcw h PRO 40 N 0.00 0.00 -5.16 1.61 0.13 -2.03 -3.40 132.00 123.15 1tcw h PRO 40 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1tcw h PRO 40 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1tcw h PRO 40 CO 0.00 0.00 0.92 -1.01 -0.23 0.00 0.00 178.00 177.68 1tcw s HIS 41 N -3.23 3.04 0.19 1.56 3.76 -1.26 -4.92 115.29 114.43 1tcw s HIS 41 Ca 0.07 -1.32 -0.08 0.00 -0.15 0.00 0.00 55.06 53.58 1tcw s HIS 41 Cb 0.06 -4.33 -0.01 0.00 1.11 0.00 0.00 32.58 29.41 1tcw s HIS 41 CO 0.64 -1.55 0.30 1.52 -0.85 0.00 0.00 174.74 174.81 1tcw s TYR 42 N 2.97 0.54 -0.17 1.40 -0.85 -1.26 -4.85 117.35 115.13 1tcw s TYR 42 Ca 0.34 -0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 56.01 1tcw s TYR 42 Cb -0.04 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.20 1tcw s TYR 42 CO -0.10 -0.77 -0.14 0.99 -1.52 0.00 0.00 175.55 174.02 1tcw s THR 43 N -4.02 2.73 0.42 -3.49 2.01 -0.77 -4.91 115.64 107.61 1tcw s THR 43 Ca 0.23 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 1tcw s THR 43 Cb 0.03 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 1tcw s THR 43 CO 0.04 0.50 1.37 -2.84 -0.69 0.00 0.00 174.62 173.00 1tcw s PRO 44 N 1.03 3.90 0.13 4.92 0.02 -1.26 -0.41 135.00 143.32 1tcw s PRO 44 Ca -0.01 2.29 -0.06 0.00 0.02 0.00 0.00 61.00 63.24 1tcw s PRO 44 Cb -0.15 -2.75 -0.02 0.00 0.02 0.00 0.00 34.50 31.60 1tcw s PRO 44 CO -0.03 -0.60 0.18 0.15 -0.33 0.00 0.00 177.00 176.37 1tcw s LYS 45 N -2.28 0.99 -0.08 5.54 -0.14 0.09 -4.90 119.74 118.96 1tcw s LYS 45 Ca 0.58 -1.20 0.03 0.00 -1.36 0.00 0.00 55.97 54.02 1tcw s LYS 45 Cb -0.41 0.32 0.01 0.00 -1.68 0.00 0.00 37.83 36.07 1tcw s LYS 45 CO 0.53 -0.32 -0.18 0.42 -0.76 0.00 0.00 175.35 175.04 1tcw s ILE 46 N -3.96 1.54 0.22 2.17 -1.09 -1.26 0.19 121.20 119.01 1tcw s ILE 46 Ca 0.16 -0.73 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1tcw s ILE 46 Cb 0.05 -1.36 -0.05 0.00 -1.58 0.00 0.00 42.46 39.52 1tcw s ILE 46 CO -0.03 0.44 -0.04 0.68 -1.23 0.00 0.00 174.94 174.77 1tcw s VAL 47 N 0.44 1.20 -0.08 2.92 -7.23 -0.40 -4.95 120.40 112.30 1tcw s VAL 47 Ca -0.15 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 57.99 1tcw s VAL 47 Cb -0.16 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1tcw s VAL 47 CO 0.06 -0.42 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.42 1tcw s GLY 48 N -3.30 1.45 0.00 2.32 0.00 -1.26 -1.22 107.32 105.31 1tcw s GLY 48 Ca 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1tcw s GLY 48 CO 0.07 -0.52 0.00 0.61 0.00 0.00 0.00 173.10 173.26 1tcw n GLY 49 N 2.96 4.73 0.08 0.20 0.00 -0.98 -4.98 105.19 107.21 1tcw n GLY 49 Ca -0.18 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 1tcw n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1tcw h ILE 50 N 0.00 1.08 -0.01 -0.61 2.10 -2.03 -3.20 117.51 114.84 1tcw h ILE 50 Ca 0.00 -2.86 0.00 0.00 1.08 0.00 0.00 64.86 63.08 1tcw h ILE 50 Cb 0.00 2.52 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 1tcw h ILE 50 CO 0.00 0.62 -0.49 0.61 -1.08 0.00 0.00 178.15 177.81 1tcw n GLY 51 N 1.48 -0.54 0.00 8.18 0.00 -1.26 -5.04 105.19 108.01 1tcw n GLY 51 Ca -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1tcw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tcw n GLY 52 N 1.42 0.80 3.71 -0.02 0.00 -1.21 -5.10 105.19 104.79 1tcw n GLY 52 Ca 0.09 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1tcw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tcw s PHE 53 N -1.25 3.47 0.36 1.61 0.08 -1.26 -2.32 117.98 118.66 1tcw s PHE 53 Ca 0.00 1.36 0.08 0.00 0.12 0.00 0.00 56.93 58.49 1tcw s PHE 53 Cb 0.00 -3.38 -0.07 0.00 -0.57 0.00 0.00 43.02 39.00 1tcw s PHE 53 CO 0.00 -1.11 -0.05 0.96 -0.10 0.00 0.00 175.22 174.92 1tcw s ILE 54 N 0.99 2.06 -0.08 0.64 -4.36 -0.36 -4.96 121.20 115.13 1tcw s ILE 54 Ca 0.58 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 1tcw s ILE 54 Cb -0.29 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.63 1tcw s ILE 54 CO 0.29 -0.13 -0.03 0.20 0.24 0.00 0.00 174.94 175.51 1tcw s ASN 55 N -3.62 4.96 0.19 4.36 -0.87 -1.26 -1.28 114.94 117.42 1tcw s ASN 55 Ca 0.33 0.07 0.03 0.00 -1.57 0.00 0.00 52.86 51.72 1tcw s ASN 55 Cb 0.05 -1.33 -0.05 0.00 -0.02 0.00 0.00 41.25 39.91 1tcw s ASN 55 CO 0.17 0.37 -0.03 0.42 -2.57 0.00 0.00 177.10 175.46 1tcw s THR 56 N -0.85 0.98 -0.23 1.60 -4.23 0.13 -4.57 115.64 108.46 1tcw s THR 56 Ca 0.13 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 1tcw s THR 56 Cb -0.11 -2.13 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1tcw s THR 56 CO 0.02 -0.49 0.05 -0.54 -0.54 0.00 0.00 174.62 173.11 1tcw s LYS 57 N -3.84 3.66 -0.20 3.99 1.02 -0.55 -0.73 119.74 123.09 1tcw s LYS 57 Ca 0.24 -0.48 -0.06 0.00 0.02 0.00 0.00 55.97 55.68 1tcw s LYS 57 Cb 0.05 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1tcw s LYS 57 CO 0.05 -0.11 0.04 -2.00 -0.92 0.00 0.00 175.35 172.41 1tcw s GLU 58 N 1.37 3.78 -0.16 1.68 2.12 0.45 -1.03 118.70 126.91 1tcw s GLU 58 Ca 0.05 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 54.96 1tcw s GLU 58 Cb -0.15 -3.17 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1tcw s GLU 58 CO 0.03 0.11 -0.21 0.71 -0.54 0.00 0.00 175.26 175.36 1tcw s TYR 59 N 0.79 2.73 0.23 5.30 2.02 -0.12 -1.85 117.35 126.45 1tcw s TYR 59 Ca 0.02 -1.51 -0.03 0.00 -0.37 0.00 0.00 57.07 55.18 1tcw s TYR 59 Cb -0.14 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 1tcw s TYR 59 CO 0.02 -0.72 0.45 0.15 -1.57 0.00 0.00 175.55 173.88 1tcw s LYS 60 N 1.08 3.58 -1.58 -0.62 1.02 -1.26 -0.65 119.74 121.31 1tcw s LYS 60 Ca -0.00 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.77 1tcw s LYS 60 Cb -0.14 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1tcw s LYS 60 CO -0.08 0.34 0.56 0.09 -0.92 0.00 0.00 175.35 175.33 1tcw n ASN 61 N -0.66 -6.12 -4.69 2.83 3.02 0.21 -4.89 115.26 104.96 1tcw n ASN 61 Ca -0.03 -0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 1tcw n ASN 61 Cb 0.54 -4.95 -0.03 0.00 -0.61 0.00 0.00 39.78 34.73 1tcw n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tcw s VAL 62 N -3.17 4.45 0.23 2.41 1.01 0.19 -4.72 120.40 120.81 1tcw s VAL 62 Ca 0.28 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 1tcw s VAL 62 Cb -0.12 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 1tcw s VAL 62 CO 0.34 0.01 1.00 -1.59 0.00 0.00 0.00 175.10 174.86 1tcw s LYS 63 N 2.03 4.76 0.04 2.72 -2.85 -1.26 -1.15 119.74 124.02 1tcw s LYS 63 Ca 0.53 1.59 0.02 0.00 -1.00 0.00 0.00 55.97 57.11 1tcw s LYS 63 Cb -0.22 -3.27 -0.02 0.00 -2.06 0.00 0.00 37.83 32.26 1tcw s LYS 63 CO 0.21 0.37 -0.07 0.42 0.10 0.00 0.00 175.35 176.38 1tcw s ILE 64 N -0.96 0.47 -0.09 3.79 1.01 0.62 -1.87 121.20 124.16 1tcw s ILE 64 Ca 0.43 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.04 1tcw s ILE 64 Cb -0.28 -0.54 0.05 0.00 0.01 0.00 0.00 42.46 41.70 1tcw s ILE 64 CO 0.34 -0.37 0.10 -0.70 0.00 0.00 0.00 174.94 174.32 1tcw s GLU 65 N -1.48 0.00 -0.06 2.79 2.56 -1.14 -0.17 118.70 121.19 1tcw s GLU 65 Ca -0.10 0.30 -0.04 0.00 0.00 0.00 0.00 54.97 55.13 1tcw s GLU 65 Cb -0.10 -0.82 0.02 0.00 2.00 0.00 0.00 34.13 35.24 1tcw s GLU 65 CO 0.00 -0.43 0.16 0.08 -0.56 0.00 0.00 175.26 174.51 1tcw s VAL 66 N 2.21 -0.02 0.00 3.70 1.01 -0.86 -1.53 120.40 124.92 1tcw s VAL 66 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1tcw s VAL 66 Cb -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1tcw s VAL 66 CO -0.06 0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.25 1tcw n LEU 67 N 3.46 0.00 -2.00 3.92 4.32 -1.26 -2.11 117.00 123.33 1tcw n LEU 67 Ca -0.18 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.74 1tcw n LEU 67 Cb 0.56 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.65 1tcw n LEU 67 CO 0.20 0.00 1.04 0.61 -1.22 0.00 0.00 177.39 178.02 1tcw n GLY 68 N 0.00 3.62 3.39 -0.72 0.00 -1.26 -4.95 105.19 105.27 1tcw n GLY 68 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1tcw n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tcw s LYS 69 N -2.91 1.91 -0.27 1.61 3.01 -0.90 -5.08 119.74 117.12 1tcw s LYS 69 Ca 0.53 -1.06 -0.07 0.00 -1.01 0.00 0.00 55.97 54.37 1tcw s LYS 69 Cb 0.43 -2.06 -0.01 0.00 -1.01 0.00 0.00 37.83 35.18 1tcw s LYS 69 CO 0.13 0.52 0.07 1.03 0.51 0.00 0.00 175.35 177.61 1tcw s ARG 70 N -1.30 3.36 0.34 1.68 0.52 -1.26 -2.02 118.95 120.27 1tcw s ARG 70 Ca 0.13 -0.67 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1tcw s ARG 70 Cb -0.10 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 1tcw s ARG 70 CO 0.03 -0.31 0.15 0.96 0.02 0.00 0.00 175.30 176.14 1tcw s ILE 71 N 1.55 0.47 -0.02 1.52 -4.36 0.76 -4.99 121.20 116.12 1tcw s ILE 71 Ca 0.05 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.47 1tcw s ILE 71 Cb -0.16 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.06 1tcw s ILE 71 CO 0.02 0.00 -0.11 -0.75 0.24 0.00 0.00 174.94 174.34 1tcw s LYS 72 N -3.77 1.06 0.04 0.37 2.20 -1.26 -0.28 119.74 118.10 1tcw s LYS 72 Ca 0.32 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1tcw s LYS 72 Cb 0.04 -0.99 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 1tcw s LYS 72 CO 0.17 0.18 0.07 0.41 -0.36 0.00 0.00 175.35 175.82 1tcw n GLY 73 N 3.08 2.29 3.57 5.54 0.00 -0.30 -4.90 105.19 114.46 1tcw n GLY 73 Ca -0.16 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1tcw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcw s THR 74 N -2.76 4.46 -0.00 2.61 2.01 -1.26 0.55 115.64 121.25 1tcw s THR 74 Ca 0.02 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 61.93 1tcw s THR 74 Cb -0.00 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1tcw s THR 74 CO 0.02 0.45 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.57 1tcw s ILE 75 N 0.56 1.53 0.04 1.82 -1.09 0.18 -4.58 121.20 119.65 1tcw s ILE 75 Ca 0.01 -0.89 0.07 0.00 -2.23 0.00 0.00 60.65 57.61 1tcw s ILE 75 Cb -0.13 -1.29 -0.03 0.00 -1.58 0.00 0.00 42.46 39.43 1tcw s ILE 75 CO 0.02 0.37 -0.17 -0.04 -1.23 0.00 0.00 174.94 173.89 1tcw s MET 76 N -0.60 2.10 0.09 2.79 -1.94 0.07 -0.94 119.30 120.86 1tcw s MET 76 Ca 0.07 -0.97 0.09 0.00 -1.71 0.00 0.00 55.69 53.17 1tcw s MET 76 Cb -0.08 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 1tcw s MET 76 CO -0.00 0.54 -0.20 0.95 -0.01 0.00 0.00 175.02 176.30 1tcw s THR 77 N -0.92 2.68 -1.06 2.05 -4.23 -0.20 -1.10 115.64 112.85 1tcw s THR 77 Ca 0.15 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1tcw s THR 77 Cb -0.11 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1tcw s THR 77 CO 0.05 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1tcw n GLY 78 N 1.15 -0.96 3.02 3.99 0.00 -1.15 -1.48 105.19 109.76 1tcw n GLY 78 Ca -0.16 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1tcw n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tcw n ASP 79 N 0.36 5.15 -4.88 1.61 -0.08 -1.26 -4.41 116.55 113.05 1tcw n ASP 79 Ca 0.00 -3.08 -0.36 0.00 -1.51 0.00 0.00 54.79 49.84 1tcw n ASP 79 Cb 0.00 -1.50 -0.06 0.00 2.34 0.00 0.00 41.12 41.91 1tcw n ASP 79 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1tcw s THR 80 N 0.60 5.45 0.58 5.18 -1.32 -1.26 -4.98 115.64 119.89 1tcw s THR 80 Ca 0.40 0.09 0.29 0.00 -1.21 0.00 0.00 61.69 61.26 1tcw s THR 80 Cb 0.06 -3.42 0.35 0.00 -1.51 0.00 0.00 72.50 67.98 1tcw s THR 80 CO 0.01 0.53 2.24 -0.65 -2.21 0.00 0.00 174.62 174.54 1tcw h PRO 81 N 4.64 0.00 -3.02 7.08 0.11 -1.98 -3.44 132.00 135.38 1tcw h PRO 81 Ca -0.53 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 1tcw h PRO 81 Cb 1.22 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.09 1tcw h PRO 81 CO 0.61 0.01 -0.33 -1.50 -0.21 0.00 0.00 178.00 176.58 1tcw s ILE 82 N -4.62 0.02 0.06 4.15 2.07 -1.26 -5.14 121.20 116.48 1tcw s ILE 82 Ca -0.05 -0.19 -0.31 0.00 -1.41 0.00 0.00 60.65 58.70 1tcw s ILE 82 Cb 0.15 -0.50 -0.06 0.00 0.13 0.00 0.00 42.46 42.18 1tcw s ILE 82 CO 0.56 -0.10 1.30 0.20 -1.91 0.00 0.00 174.94 174.99 1tcw s ASN 83 N -0.39 6.94 -0.05 4.50 0.01 -1.26 -4.85 114.94 119.84 1tcw s ASN 83 Ca -0.05 2.13 0.05 0.00 -0.71 0.00 0.00 52.86 54.27 1tcw s ASN 83 Cb -0.03 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1tcw s ASN 83 CO 0.02 -0.59 -0.18 0.27 -1.51 0.00 0.00 177.10 175.10 1tcw s ILE 84 N 1.42 1.53 -0.37 0.60 -4.36 0.02 -0.25 121.20 119.80 1tcw s ILE 84 Ca 0.62 -0.77 -0.08 0.00 -0.26 0.00 0.00 60.65 60.15 1tcw s ILE 84 Cb -0.32 -1.31 0.05 0.00 1.25 0.00 0.00 42.46 42.12 1tcw s ILE 84 CO 0.28 0.44 0.17 -0.36 0.24 0.00 0.00 174.94 175.71 1tcw s PHE 85 N 0.01 3.28 0.48 1.37 0.40 -0.04 -1.10 117.98 122.38 1tcw s PHE 85 Ca -0.04 -1.34 0.01 0.00 -0.60 0.00 0.00 56.93 54.97 1tcw s PHE 85 Cb -0.12 -2.50 0.09 0.00 0.51 0.00 0.00 43.02 41.01 1tcw s PHE 85 CO 0.02 -0.74 0.65 0.41 0.70 0.00 0.00 175.22 176.27 1tcw n GLY 86 N 4.88 0.99 0.31 4.36 0.00 -1.06 -0.38 105.19 114.29 1tcw n GLY 86 Ca -0.11 -2.05 0.17 0.00 0.00 0.00 0.00 46.02 44.02 1tcw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1tcw h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.87 -0.89 114.38 117.31 1tcw h ARG 87 Ca -0.22 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.71 1tcw h ARG 87 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1tcw h ARG 87 CO 0.25 0.00 -0.57 -2.95 -1.07 0.00 0.00 179.97 175.63 1tcw h ASN 88 N 0.00 0.00 0.04 7.04 7.08 -1.81 -2.55 115.58 125.38 1tcw h ASN 88 Ca 0.00 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.84 1tcw h ASN 88 Cb 0.39 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.57 1tcw h ASN 88 CO 0.00 0.57 -2.36 0.18 -2.08 0.00 0.00 177.43 173.75 1tcw n LEU 89 N -3.53 2.69 -0.29 6.14 4.77 -0.38 -3.55 117.00 122.84 1tcw n LEU 89 Ca -0.00 -0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 1tcw n LEU 89 Cb 0.65 -0.85 0.28 0.00 -2.33 0.00 0.00 43.42 41.17 1tcw n LEU 89 CO 0.41 0.88 1.24 -0.07 -1.33 0.00 0.00 177.39 178.52 1tcw h LEU 90 N 0.02 0.83 -0.30 2.23 3.38 -1.51 0.16 115.31 120.12 1tcw h LEU 90 Ca -0.54 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.25 1tcw h LEU 90 Cb 1.95 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1tcw h LEU 90 CO -0.04 0.50 -0.69 0.71 0.09 0.00 0.00 178.44 179.01 1tcw h THR 91 N 0.93 1.31 -0.96 0.22 1.35 -1.65 -0.04 112.91 114.06 1tcw h THR 91 Ca 0.41 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1tcw h THR 91 Cb 0.35 1.91 -0.05 0.00 -1.73 0.00 0.00 68.15 68.64 1tcw h THR 91 CO -0.17 0.61 0.62 0.00 -0.25 0.00 0.00 175.52 176.32 1tcw h ALA 92 N 0.74 1.27 0.00 6.62 0.00 -0.85 0.36 119.26 127.40 1tcw h ALA 92 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tcw h ALA 92 Cb 1.29 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1tcw h ALA 92 CO 0.14 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.97 1tcw h LEU 93 N 1.31 0.00 0.00 0.00 4.07 -0.68 -3.48 115.31 116.53 1tcw h LEU 93 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.31 1tcw h LEU 93 Cb -0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1tcw h LEU 93 CO -0.07 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.90 1tcw n GLY 94 N 0.65 0.65 3.78 0.83 0.00 0.11 -5.06 105.19 106.15 1tcw n GLY 94 Ca 0.03 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1tcw n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tcw s MET 95 N -0.70 2.68 0.21 1.61 -1.94 -0.20 -4.97 119.30 115.98 1tcw s MET 95 Ca 0.00 1.23 -0.00 0.00 -1.71 0.00 0.00 55.69 55.21 1tcw s MET 95 Cb 0.00 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1tcw s MET 95 CO 0.00 -1.32 0.11 -1.54 -0.01 0.00 0.00 175.02 172.26 1tcw s SER 96 N -3.06 0.49 -0.17 3.03 1.04 -1.26 -4.66 113.70 109.12 1tcw s SER 96 Ca 0.63 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1tcw s SER 96 Cb -0.18 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1tcw s SER 96 CO 0.48 -0.79 -0.17 -0.22 0.98 0.00 0.00 173.24 173.52 1tcw s LEU 97 N -3.20 2.32 0.12 2.42 2.96 -1.26 -5.09 118.68 116.95 1tcw s LEU 97 Ca 0.37 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1tcw s LEU 97 Cb 0.07 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1tcw s LEU 97 CO 0.12 0.04 -0.13 0.20 -1.32 0.00 0.00 176.35 175.26 1tcw s ASN 98 N 1.08 1.86 0.00 3.68 0.02 -1.26 -5.30 114.94 115.02 1tcw s ASN 98 Ca -0.00 -0.84 0.00 0.00 -1.02 0.00 0.00 52.86 50.99 1tcw s ASN 98 Cb -0.14 -0.05 0.00 0.00 0.02 0.00 0.00 41.25 41.08 1tcw s ASN 98 CO -0.06 -0.20 0.25 -0.11 0.02 0.00 0.00 177.10 177.01