#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4h s GLN 2 N 0.00 3.21 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.56 1d4h s GLN 2 Ca 0.00 -0.72 -0.07 0.00 0.05 0.00 0.00 55.36 54.62 1d4h s GLN 2 Cb 0.00 -2.77 -0.03 0.00 1.10 0.00 0.00 33.01 31.32 1d4h s GLN 2 CO 0.00 -0.15 0.05 0.42 -0.55 0.00 0.00 175.29 175.06 1d4h s ILE 3 N 1.25 4.16 0.63 -2.34 1.01 -1.26 -5.10 121.20 119.55 1d4h s ILE 3 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.36 1d4h s ILE 3 Cb -0.14 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 1d4h s ILE 3 CO -0.06 0.37 1.00 0.42 0.00 0.00 0.00 174.94 176.67 1d4h s THR 4 N 1.46 4.10 -0.23 2.92 -4.23 -1.26 -5.00 115.64 113.39 1d4h s THR 4 Ca 0.05 0.50 0.14 0.00 -1.18 0.00 0.00 61.69 61.20 1d4h s THR 4 Cb -0.15 -3.65 0.57 0.00 1.34 0.00 0.00 72.50 70.60 1d4h s THR 4 CO 0.02 -0.80 1.50 0.18 -0.54 0.00 0.00 174.62 174.98 1d4h n LEU 5 N -2.76 4.35 0.08 4.79 4.77 -1.26 -4.52 117.00 122.46 1d4h n LEU 5 Ca 0.05 -3.24 0.02 0.00 -0.03 0.00 0.00 56.01 52.81 1d4h n LEU 5 Cb 0.56 -0.60 0.38 0.00 -2.33 0.00 0.00 43.42 41.42 1d4h n LEU 5 CO 0.56 0.84 0.93 -0.50 -1.33 0.00 0.00 177.39 177.89 1d4h h TRP 6 N 1.76 0.34 -2.67 -1.77 4.06 -2.06 -3.43 115.95 112.19 1d4h h TRP 6 Ca 0.10 -0.03 -0.49 0.00 2.06 0.00 0.00 58.89 60.53 1d4h h TRP 6 Cb 1.66 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.58 1d4h h TRP 6 CO 0.77 0.40 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.75 1d4h s GLN 7 N -4.87 1.60 0.30 0.49 1.11 -1.26 -5.10 119.66 111.92 1d4h s GLN 7 Ca -0.06 -1.84 -0.30 0.00 0.01 0.00 0.00 55.36 53.17 1d4h s GLN 7 Cb 0.16 -1.07 -0.12 0.00 -1.01 0.00 0.00 33.01 30.97 1d4h s GLN 7 CO 0.74 -0.04 1.59 0.54 0.01 0.00 0.00 175.29 178.12 1d4h n ARG 8 N -0.63 2.69 -2.54 2.91 1.74 -1.26 -4.86 116.66 114.70 1d4h n ARG 8 Ca -0.04 0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 57.56 1d4h n ARG 8 Cb 0.65 -2.73 -0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1d4h n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1d4h n PRO 9 N 2.06 3.16 -3.49 5.56 -0.04 -1.26 -4.95 135.00 136.04 1d4h n PRO 9 Ca 0.08 -3.24 -0.38 0.00 -0.04 0.00 0.00 63.50 59.92 1d4h n PRO 9 Cb 0.37 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 1d4h n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4h s LEU 10 N 4.29 4.40 0.15 1.53 1.43 -1.26 -1.42 118.68 127.80 1d4h s LEU 10 Ca 0.54 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1d4h s LEU 10 Cb 0.04 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1d4h s LEU 10 CO 0.08 0.23 0.02 0.68 0.23 0.00 0.00 176.35 177.59 1d4h s VAL 11 N -0.52 0.45 -0.04 -1.59 -7.23 0.60 -4.94 120.40 107.13 1d4h s VAL 11 Ca 0.23 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1d4h s VAL 11 Cb -0.16 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1d4h s VAL 11 CO 0.11 -0.49 0.45 -0.89 -0.31 0.00 0.00 175.10 173.97 1d4h s THR 12 N -3.81 5.05 0.20 5.32 2.01 -1.26 -0.33 115.64 122.82 1d4h s THR 12 Ca 0.23 0.92 0.08 0.00 0.31 0.00 0.00 61.69 63.24 1d4h s THR 12 Cb 0.07 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1d4h s THR 12 CO 0.03 0.48 -0.16 0.27 -0.69 0.00 0.00 174.62 174.55 1d4h s ILE 13 N -0.43 1.83 -0.13 1.82 -4.36 0.41 -2.91 121.20 117.43 1d4h s ILE 13 Ca 0.25 -2.17 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1d4h s ILE 13 Cb -0.16 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1d4h s ILE 13 CO 0.13 -0.52 -0.13 -0.75 0.24 0.00 0.00 174.94 173.91 1d4h s LYS 14 N -3.45 2.14 -0.09 0.37 2.20 -0.19 -1.37 119.74 119.35 1d4h s LYS 14 Ca 0.22 -0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.29 1d4h s LYS 14 Cb -0.02 -1.96 0.05 0.00 -1.51 0.00 0.00 37.83 34.39 1d4h s LYS 14 CO 0.08 -0.20 0.19 -1.50 -0.36 0.00 0.00 175.35 173.56 1d4h s ILE 15 N 1.40 -0.20 -1.44 5.43 2.07 -0.30 -1.32 121.20 126.85 1d4h s ILE 15 Ca 0.02 0.26 -0.01 0.00 -1.41 0.00 0.00 60.65 59.50 1d4h s ILE 15 Cb -0.13 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.14 1d4h s ILE 15 CO -0.08 0.11 0.20 0.61 -1.91 0.00 0.00 174.94 173.86 1d4h n GLY 16 N 4.84 -0.35 2.22 1.50 0.00 -1.26 -1.74 105.19 110.41 1d4h n GLY 16 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1d4h n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4h n GLY 17 N -1.17 0.45 3.47 -0.02 0.00 -1.26 -5.02 105.19 101.65 1d4h n GLY 17 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1d4h n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4h s GLN 18 N -0.29 2.43 -0.10 1.61 -0.21 -0.71 -5.11 119.66 117.28 1d4h s GLN 18 Ca 0.00 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.51 1d4h s GLN 18 Cb 0.00 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.62 1d4h s GLN 18 CO 0.00 0.61 0.29 -0.51 -2.12 0.00 0.00 175.29 173.56 1d4h s LEU 19 N -0.85 4.35 0.11 2.90 1.43 -1.26 -1.15 118.68 124.21 1d4h s LEU 19 Ca 0.12 0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 53.79 1d4h s LEU 19 Cb -0.11 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1d4h s LEU 19 CO 0.01 0.25 0.19 -0.54 0.23 0.00 0.00 176.35 176.49 1d4h s LYS 20 N -0.41 0.91 -0.16 1.70 1.02 -0.47 -4.98 119.74 117.35 1d4h s LYS 20 Ca 0.18 -1.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.02 1d4h s LYS 20 Cb -0.14 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 1d4h s LYS 20 CO 0.07 -0.30 0.15 -1.21 -0.92 0.00 0.00 175.35 173.14 1d4h s GLU 21 N -3.91 3.89 0.05 1.68 2.02 -1.26 -0.44 118.70 120.73 1d4h s GLU 21 Ca 0.10 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 54.93 1d4h s GLU 21 Cb 0.05 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1d4h s GLU 21 CO -0.07 0.50 -0.05 0.00 0.02 0.00 0.00 175.26 175.66 1d4h s ALA 22 N -0.22 0.52 -0.18 5.21 0.00 0.55 -4.42 121.76 123.21 1d4h s ALA 22 Ca 0.11 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 1d4h s ALA 22 Cb -0.12 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1d4h s ALA 22 CO 0.01 -0.20 0.22 -1.17 0.00 0.00 0.00 175.76 174.62 1d4h s LEU 23 N -2.24 4.22 -0.49 0.00 2.96 0.15 -0.29 118.68 122.98 1d4h s LEU 23 Ca -0.02 0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.98 1d4h s LEU 23 Cb -0.02 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.45 1d4h s LEU 23 CO -0.04 0.13 1.19 -0.76 -1.32 0.00 0.00 176.35 175.54 1d4h s LEU 24 N 0.47 3.58 -0.35 -0.68 1.43 -0.51 -0.38 118.68 122.24 1d4h s LEU 24 Ca 0.13 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1d4h s LEU 24 Cb -0.12 -3.46 0.10 0.00 0.03 0.00 0.00 46.19 42.74 1d4h s LEU 24 CO 0.01 -1.34 0.08 -0.62 0.23 0.00 0.00 176.35 174.72 1d4h s ASP 25 N 2.79 4.91 0.32 2.29 -1.08 -0.31 -4.79 116.67 120.80 1d4h s ASP 25 Ca 0.49 -2.01 0.26 0.00 -0.52 0.00 0.00 52.55 50.76 1d4h s ASP 25 Cb -0.08 -1.69 1.05 0.00 -1.46 0.00 0.00 42.92 40.73 1d4h s ASP 25 CO 0.31 -0.41 1.77 0.71 0.52 0.00 0.00 175.17 178.07 1d4h h THR 26 N 6.53 0.00 -0.00 1.71 1.35 -1.93 -2.57 112.91 118.00 1d4h h THR 26 Ca -0.09 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1d4h h THR 26 Cb 1.03 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1d4h h THR 26 CO 0.57 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 176.24 1d4h n GLY 27 N 0.09 -1.12 3.66 5.82 0.00 -1.26 -4.79 105.19 107.59 1d4h n GLY 27 Ca 0.02 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1d4h n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4h s ALA 28 N -2.75 3.59 0.16 4.61 0.00 -0.97 -4.97 121.76 121.44 1d4h s ALA 28 Ca 0.20 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 1d4h s ALA 28 Cb 0.19 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.88 1d4h s ALA 28 CO 0.56 -0.24 1.56 -0.44 0.00 0.00 0.00 175.76 177.19 1d4h h ASP 29 N 7.47 1.03 -1.71 0.00 3.32 -1.87 0.53 116.42 125.20 1d4h h ASP 29 Ca -0.37 -0.39 -0.61 0.00 0.02 0.00 0.00 57.03 55.68 1d4h h ASP 29 Cb 1.17 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.30 1d4h h ASP 29 CO 0.68 1.19 -0.55 -1.81 -1.72 0.00 0.00 179.24 177.03 1d4h s ASP 30 N -6.72 3.51 -0.17 6.45 1.01 -1.26 -2.44 116.67 117.04 1d4h s ASP 30 Ca -0.11 -1.56 -0.12 0.00 0.71 0.00 0.00 52.55 51.47 1d4h s ASP 30 Cb 0.12 0.23 -0.05 0.00 1.01 0.00 0.00 42.92 44.23 1d4h s ASP 30 CO 0.87 -0.75 0.23 -0.89 0.21 0.00 0.00 175.17 174.85 1d4h s THR 31 N -2.98 5.34 -0.05 -1.27 2.01 -1.26 -3.40 115.64 114.03 1d4h s THR 31 Ca 0.21 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1d4h s THR 31 Cb 0.05 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 69.01 1d4h s THR 31 CO 0.11 0.42 -0.05 0.54 -0.69 0.00 0.00 174.62 174.95 1d4h s VAL 32 N 0.36 0.59 0.21 3.82 0.11 -0.74 -0.25 120.40 124.50 1d4h s VAL 32 Ca 0.14 -0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.16 1d4h s VAL 32 Cb -0.12 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1d4h s VAL 32 CO 0.02 0.25 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.16 1d4h s LEU 33 N 1.11 2.87 0.92 2.54 1.43 0.78 -0.72 118.68 127.62 1d4h s LEU 33 Ca -0.08 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 1d4h s LEU 33 Cb -0.14 -1.51 0.15 0.00 0.03 0.00 0.00 46.19 44.72 1d4h s LEU 33 CO -0.01 0.08 1.12 -1.83 0.23 0.00 0.00 176.35 175.93 1d4h s GLU 34 N -3.08 1.00 -0.03 1.70 -1.05 -1.26 -1.66 118.70 114.33 1d4h s GLU 34 Ca 0.26 1.33 -0.39 0.00 -0.15 0.00 0.00 54.97 56.02 1d4h s GLU 34 Cb -0.08 -1.74 -0.18 0.00 -0.44 0.00 0.00 34.13 31.69 1d4h s GLU 34 CO 0.15 -2.57 1.28 0.39 0.95 0.00 0.00 175.26 175.46 1d4h n GLU 35 N -4.17 0.56 -3.59 -4.83 -0.58 -1.19 -4.54 120.64 102.30 1d4h n GLU 35 Ca 0.10 0.20 -0.07 0.00 -0.42 0.00 0.00 57.16 56.97 1d4h n GLU 35 Cb 0.53 -1.78 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 1d4h n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d4h s MET 36 N 0.75 1.00 -0.10 3.49 0.23 -1.26 -5.03 119.30 118.39 1d4h s MET 36 Ca 0.90 -0.45 -0.14 0.00 -1.03 0.00 0.00 55.69 54.97 1d4h s MET 36 Cb -1.14 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 32.52 1d4h s MET 36 CO 0.56 -0.45 0.35 0.45 -2.03 0.00 0.00 175.02 173.90 1d4h s SER 37 N -2.67 6.59 0.07 -1.18 0.15 -1.26 -5.04 113.70 110.36 1d4h s SER 37 Ca 0.07 0.70 0.04 0.00 0.70 0.00 0.00 55.95 57.46 1d4h s SER 37 Cb -0.01 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.05 1d4h s SER 37 CO -0.05 0.17 -0.11 -0.76 1.20 0.00 0.00 173.24 173.68 1d4h s LEU 38 N -0.06 2.30 0.64 3.45 1.43 -1.26 -5.05 118.68 120.13 1d4h s LEU 38 Ca 0.20 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 1d4h s LEU 38 Cb -0.14 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1d4h s LEU 38 CO 0.08 -0.15 1.07 -2.84 0.23 0.00 0.00 176.35 174.73 1d4h s PRO 39 N -1.91 3.07 0.00 1.29 0.02 -1.26 -4.93 135.00 131.28 1d4h s PRO 39 Ca -0.03 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.14 1d4h s PRO 39 Cb -0.09 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1d4h s PRO 39 CO 0.01 -1.01 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 1d4h n GLY 40 N -1.25 -0.31 3.89 0.52 0.00 -1.26 -4.96 105.19 101.81 1d4h n GLY 40 Ca 0.09 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1d4h n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4h s ARG 41 N -1.57 3.64 0.20 1.61 0.52 -1.26 -5.09 118.95 117.00 1d4h s ARG 41 Ca 0.00 0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1d4h s ARG 41 Cb 0.00 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.07 1d4h s ARG 41 CO 0.00 -0.17 -0.02 1.67 0.02 0.00 0.00 175.30 176.80 1d4h s TRP 42 N -2.63 1.41 0.03 -0.53 1.48 -1.26 -4.63 118.94 112.80 1d4h s TRP 42 Ca 0.50 -0.92 0.07 0.00 -1.06 0.00 0.00 56.10 54.69 1d4h s TRP 42 Cb -0.10 -0.80 -0.02 0.00 -1.16 0.00 0.00 33.47 31.39 1d4h s TRP 42 CO 0.40 -0.07 -0.21 0.15 -4.06 0.00 0.00 176.95 173.17 1d4h s LYS 43 N -3.86 1.46 0.43 3.25 1.02 -0.73 -4.88 119.74 116.44 1d4h s LYS 43 Ca 0.25 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 55.14 1d4h s LYS 43 Cb 0.05 -1.53 -0.09 0.00 -0.52 0.00 0.00 37.83 35.74 1d4h s LYS 43 CO 0.06 0.40 1.02 -1.25 -0.92 0.00 0.00 175.35 174.66 1d4h s PRO 44 N -0.97 4.07 0.05 -1.68 0.04 -1.26 0.06 135.00 135.30 1d4h s PRO 44 Ca 0.08 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 1d4h s PRO 44 Cb -0.08 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1d4h s PRO 44 CO 0.01 -0.20 0.34 0.21 0.04 0.00 0.00 177.00 177.40 1d4h s LYS 45 N -2.84 0.85 -0.16 4.56 2.20 -0.65 -4.87 119.74 118.83 1d4h s LYS 45 Ca 0.61 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1d4h s LYS 45 Cb -0.18 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1d4h s LYS 45 CO 0.22 -0.28 -0.18 1.41 -0.36 0.00 0.00 175.35 176.16 1d4h s MET 46 N -2.57 3.12 0.01 4.03 -2.45 -1.26 -0.74 119.30 119.44 1d4h s MET 46 Ca -0.05 -0.79 0.07 0.00 -1.25 0.00 0.00 55.69 53.68 1d4h s MET 46 Cb -0.01 -2.57 -0.03 0.00 1.25 0.00 0.00 34.83 33.47 1d4h s MET 46 CO -0.03 -0.04 -0.22 0.96 1.05 0.00 0.00 175.02 176.73 1d4h s ILE 47 N 0.93 2.42 -0.02 10.11 -4.36 -0.73 -4.94 121.20 124.60 1d4h s ILE 47 Ca -0.04 -1.14 0.08 0.00 -0.26 0.00 0.00 60.65 59.29 1d4h s ILE 47 Cb -0.15 -1.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 1d4h s ILE 47 CO -0.03 0.46 -0.25 -0.83 0.24 0.00 0.00 174.94 174.53 1d4h s GLY 48 N -1.01 1.28 0.00 6.27 0.00 -1.26 -1.22 107.32 111.38 1d4h s GLY 48 Ca 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1d4h s GLY 48 CO 0.02 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.82 1d4h n GLY 49 N 2.46 5.13 3.69 0.20 0.00 -0.52 -4.97 105.19 111.19 1d4h n GLY 49 Ca -0.16 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1d4h n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4h s ILE 50 N 0.52 3.48 0.00 -0.61 -1.09 -1.26 -2.50 121.20 119.73 1d4h s ILE 50 Ca 0.00 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1d4h s ILE 50 Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1d4h s ILE 50 CO 0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1d4h n GLY 51 N 3.68 3.23 0.00 6.18 0.00 -1.26 -4.97 105.19 112.05 1d4h n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1d4h n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4h n GLY 52 N -1.53 0.69 3.84 -0.02 0.00 -1.04 -5.09 105.19 102.04 1d4h n GLY 52 Ca 0.00 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1d4h n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4h s PHE 53 N -1.16 3.25 0.06 1.61 0.40 -1.26 -1.43 117.98 119.45 1d4h s PHE 53 Ca 0.00 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1d4h s PHE 53 Cb 0.00 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1d4h s PHE 53 CO 0.00 0.52 -0.10 0.96 0.70 0.00 0.00 175.22 177.30 1d4h s ILE 54 N -1.76 0.77 -0.09 0.64 -4.36 -0.36 -4.96 121.20 111.08 1d4h s ILE 54 Ca 0.32 -1.26 -0.18 0.00 -0.26 0.00 0.00 60.65 59.26 1d4h s ILE 54 Cb -0.10 -0.90 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 1d4h s ILE 54 CO 0.25 -0.38 0.49 -0.75 0.24 0.00 0.00 174.94 174.79 1d4h s LYS 55 N -1.90 4.31 0.25 0.37 2.20 -1.26 -1.78 119.74 121.92 1d4h s LYS 55 Ca -0.04 0.49 0.03 0.00 -0.36 0.00 0.00 55.97 56.09 1d4h s LYS 55 Cb -0.08 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1d4h s LYS 55 CO 0.01 0.22 0.02 0.14 -0.36 0.00 0.00 175.35 175.38 1d4h s VAL 56 N 0.40 1.01 -0.19 4.02 -7.23 0.09 -4.44 120.40 114.05 1d4h s VAL 56 Ca 0.27 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1d4h s VAL 56 Cb -0.16 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1d4h s VAL 56 CO 0.12 -0.23 0.03 -0.13 -0.31 0.00 0.00 175.10 174.58 1d4h s ARG 57 N -3.89 3.82 -0.25 4.82 0.52 0.13 -1.64 118.95 122.46 1d4h s ARG 57 Ca 0.31 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 1d4h s ARG 57 Cb 0.06 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 1d4h s ARG 57 CO 0.11 0.18 0.35 -1.14 0.02 0.00 0.00 175.30 174.81 1d4h s GLN 58 N 0.60 4.05 -0.09 3.54 0.74 0.11 -0.55 119.66 128.05 1d4h s GLN 58 Ca 0.01 0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.47 1d4h s GLN 58 Cb -0.13 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 1d4h s GLN 58 CO 0.02 -0.20 -0.16 0.71 -0.55 0.00 0.00 175.29 175.11 1d4h s TYR 59 N 1.83 2.71 0.29 1.67 1.51 -0.23 -1.77 117.35 123.36 1d4h s TYR 59 Ca 0.15 -0.53 0.07 0.00 -1.01 0.00 0.00 57.07 55.75 1d4h s TYR 59 Cb -0.15 -1.74 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1d4h s TYR 59 CO 0.09 -0.10 0.24 -0.51 -1.11 0.00 0.00 175.55 174.16 1d4h s ASP 60 N -0.05 5.45 -1.46 2.29 1.01 -1.26 -0.32 116.67 122.33 1d4h s ASP 60 Ca -0.04 -0.34 -0.09 0.00 0.71 0.00 0.00 52.55 52.79 1d4h s ASP 60 Cb -0.14 -1.23 0.06 0.00 1.01 0.00 0.00 42.92 42.61 1d4h s ASP 60 CO 0.04 -0.18 0.90 0.00 0.21 0.00 0.00 175.17 176.15 1d4h n GLN 61 N -1.27 -5.45 -3.48 8.23 1.13 -1.22 -4.92 117.38 110.39 1d4h n GLN 61 Ca -0.05 0.61 -0.38 0.00 -1.94 0.00 0.00 57.00 55.24 1d4h n GLN 61 Cb 0.59 -5.41 -0.06 0.00 0.11 0.00 0.00 30.24 25.47 1d4h n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1d4h s ILE 62 N -3.42 5.10 -0.12 5.09 -1.09 -0.39 -4.80 121.20 121.57 1d4h s ILE 62 Ca 0.45 0.81 -0.18 0.00 -2.23 0.00 0.00 60.65 59.51 1d4h s ILE 62 Cb -0.22 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1d4h s ILE 62 CO 0.82 0.51 0.46 -0.22 -1.23 0.00 0.00 174.94 175.28 1d4h s LEU 63 N -0.57 4.28 0.01 2.97 2.96 -1.26 -1.73 118.68 125.34 1d4h s LEU 63 Ca 0.23 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 1d4h s LEU 63 Cb -0.16 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1d4h s LEU 63 CO 0.11 0.03 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.48 1d4h s ILE 64 N 0.52 0.43 -0.28 6.68 1.01 0.46 -4.53 121.20 125.49 1d4h s ILE 64 Ca 0.25 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 1d4h s ILE 64 Cb -0.15 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1d4h s ILE 64 CO 0.10 -0.04 0.03 -1.61 0.00 0.00 0.00 174.94 173.42 1d4h s GLU 65 N -0.56 3.00 -0.32 2.79 2.02 -0.43 -0.34 118.70 124.87 1d4h s GLU 65 Ca -0.02 -0.90 -0.07 0.00 0.02 0.00 0.00 54.97 54.00 1d4h s GLU 65 Cb -0.04 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 30.97 1d4h s GLU 65 CO -0.00 -0.43 0.10 0.42 0.02 0.00 0.00 175.26 175.37 1d4h s ILE 66 N 1.44 3.91 -1.35 -1.63 1.01 0.28 -1.02 121.20 123.84 1d4h s ILE 66 Ca 0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1d4h s ILE 66 Cb -0.17 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.24 1d4h s ILE 66 CO 0.00 -0.06 0.52 0.00 0.00 0.00 0.00 174.94 175.41 1d4h n GLY 68 N -1.26 0.95 3.56 0.00 0.00 -1.26 -5.04 105.19 102.13 1d4h n GLY 68 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1d4h n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4h s HIS 69 N -2.62 3.19 0.23 1.61 4.02 0.35 -5.08 115.29 117.00 1d4h s HIS 69 Ca 0.00 -0.06 -0.30 0.00 1.02 0.00 0.00 55.06 55.72 1d4h s HIS 69 Cb 0.00 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.58 29.20 1d4h s HIS 69 CO 0.00 -0.16 1.05 0.15 1.02 0.00 0.00 174.74 176.80 1d4h s LYS 70 N 1.43 4.69 -0.02 1.40 1.02 -1.26 -0.55 119.74 126.44 1d4h s LYS 70 Ca 0.06 1.68 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 1d4h s LYS 70 Cb -0.15 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1d4h s LYS 70 CO 0.06 0.25 0.21 0.00 -0.92 0.00 0.00 175.35 174.95 1d4h s ALA 71 N -0.84 -0.51 -0.02 5.17 0.00 0.54 -4.85 121.76 121.26 1d4h s ALA 71 Ca 0.45 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1d4h s ALA 71 Cb -0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1d4h s ALA 71 CO 0.36 -0.20 -0.20 0.42 0.00 0.00 0.00 175.76 176.14 1d4h s ILE 72 N -1.05 1.62 -1.16 0.00 1.01 -1.26 -0.41 121.20 119.95 1d4h s ILE 72 Ca -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1d4h s ILE 72 Cb -0.06 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1d4h s ILE 72 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1d4h n GLY 73 N 2.65 -1.44 3.76 6.18 0.00 -0.71 -4.92 105.19 110.71 1d4h n GLY 73 Ca -0.16 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 1d4h n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4h s THR 74 N -2.30 3.61 -0.06 2.61 2.01 -1.26 -1.26 115.64 118.98 1d4h s THR 74 Ca 0.00 1.59 0.02 0.00 0.31 0.00 0.00 61.69 63.61 1d4h s THR 74 Cb 0.00 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.53 1d4h s THR 74 CO 0.00 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 1d4h s VAL 75 N -1.21 0.93 -0.11 3.82 1.01 0.56 -4.43 120.40 120.97 1d4h s VAL 75 Ca 0.45 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1d4h s VAL 75 Cb -0.30 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1d4h s VAL 75 CO 0.38 0.31 0.15 -0.76 0.00 0.00 0.00 175.10 175.19 1d4h s LEU 76 N 0.83 4.39 -0.10 3.92 1.43 0.65 -1.06 118.68 128.75 1d4h s LEU 76 Ca -0.12 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1d4h s LEU 76 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1d4h s LEU 76 CO 0.02 0.41 -0.21 -0.69 0.23 0.00 0.00 176.35 176.10 1d4h s VAL 77 N -1.03 1.85 -0.00 -1.59 1.01 0.29 -0.15 120.40 120.77 1d4h s VAL 77 Ca 0.15 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1d4h s VAL 77 Cb -0.12 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.67 1d4h s VAL 77 CO 0.05 0.51 0.50 0.61 0.00 0.00 0.00 175.10 176.77 1d4h n GLY 78 N 3.72 0.50 2.30 4.51 0.00 -0.66 0.20 105.19 115.76 1d4h n GLY 78 Ca -0.20 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1d4h n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4h n PRO 79 N -0.36 1.27 -2.96 1.61 -0.04 -1.26 -3.17 135.00 130.09 1d4h n PRO 79 Ca 0.02 -0.71 -0.39 0.00 -0.04 0.00 0.00 63.50 62.38 1d4h n PRO 79 Cb 0.23 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 31.73 1d4h n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4h s THR 80 N 2.19 4.36 0.41 0.52 -1.32 -1.26 -4.96 115.64 115.58 1d4h s THR 80 Ca 0.37 1.68 0.10 0.00 -1.21 0.00 0.00 61.69 62.63 1d4h s THR 80 Cb 0.16 -4.09 0.19 0.00 -1.51 0.00 0.00 72.50 67.25 1d4h s THR 80 CO -0.01 0.42 1.97 -0.65 -2.21 0.00 0.00 174.62 174.14 1d4h h PRO 81 N 4.00 0.22 -3.71 7.08 0.11 -1.98 -3.43 132.00 134.29 1d4h h PRO 81 Ca -0.47 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1d4h h PRO 81 Cb 1.20 -0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.09 1d4h h PRO 81 CO 0.66 0.31 -0.50 0.54 -0.21 0.00 0.00 178.00 178.80 1d4h s VAL 82 N -4.86 0.12 0.07 3.15 0.11 -1.26 -5.07 120.40 112.65 1d4h s VAL 82 Ca -0.06 -0.97 -0.31 0.00 -2.93 0.00 0.00 61.98 57.71 1d4h s VAL 82 Cb 0.16 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 1d4h s VAL 82 CO 0.72 -0.54 1.27 0.20 -3.33 0.00 0.00 175.10 173.42 1d4h s ASN 83 N -1.94 6.99 -0.12 3.54 0.01 -1.26 -4.76 114.94 117.39 1d4h s ASN 83 Ca -0.07 2.10 0.03 0.00 -0.71 0.00 0.00 52.86 54.21 1d4h s ASN 83 Cb -0.03 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1d4h s ASN 83 CO -0.03 -0.55 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.16 1d4h s ILE 84 N 1.23 2.10 -0.39 0.60 1.01 0.11 -0.67 121.20 125.18 1d4h s ILE 84 Ca 0.61 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1d4h s ILE 84 Cb -0.31 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.35 1d4h s ILE 84 CO 0.29 0.55 0.27 -0.63 0.00 0.00 0.00 174.94 175.42 1d4h s ILE 85 N 0.59 5.06 0.59 2.92 -1.09 0.49 -1.78 121.20 127.97 1d4h s ILE 85 Ca -0.13 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1d4h s ILE 85 Cb -0.17 -3.80 0.12 0.00 -1.58 0.00 0.00 42.46 37.03 1d4h s ILE 85 CO 0.03 -0.26 0.81 0.61 -1.23 0.00 0.00 174.94 174.90 1d4h n GLY 86 N 5.11 0.75 0.37 6.18 0.00 -1.22 -1.17 105.19 115.22 1d4h n GLY 86 Ca -0.11 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.02 1d4h n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4h h ARG 87 N 0.00 0.42 -0.08 1.61 3.08 -0.87 -1.04 114.38 117.50 1d4h h ARG 87 Ca -0.27 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 59.78 1d4h h ARG 87 Cb 1.00 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1d4h h ARG 87 CO 0.29 0.28 0.07 -2.95 -1.07 0.00 0.00 179.97 176.59 1d4h h ASN 88 N 0.43 0.00 0.00 7.04 -1.07 -1.74 -2.14 115.58 118.09 1d4h h ASN 88 Ca 0.34 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.50 1d4h h ASN 88 Cb 0.73 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.94 1d4h h ASN 88 CO -0.11 0.00 -1.95 0.18 0.07 0.00 0.00 177.43 175.63 1d4h n LEU 89 N -4.16 0.00 -0.08 6.14 4.77 -0.77 -4.40 117.00 118.50 1d4h n LEU 89 Ca -0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1d4h n LEU 89 Cb 0.18 0.29 0.31 0.00 -2.33 0.00 0.00 43.42 41.87 1d4h n LEU 89 CO 0.31 0.29 1.10 -0.07 -1.33 0.00 0.00 177.39 177.69 1d4h h LEU 90 N 0.00 0.62 -0.99 2.23 3.38 -0.93 -2.06 115.31 117.57 1d4h h LEU 90 Ca -0.32 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1d4h h LEU 90 Cb 1.67 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1d4h h LEU 90 CO 0.02 0.53 0.07 0.71 0.09 0.00 0.00 178.44 179.86 1d4h h THR 91 N 0.70 1.23 0.00 0.22 1.35 -1.61 -1.67 112.91 113.13 1d4h h THR 91 Ca 0.18 -0.89 -0.04 0.00 -0.55 0.00 0.00 66.41 65.10 1d4h h THR 91 Cb 0.07 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.25 1d4h h THR 91 CO -0.02 0.32 -0.19 1.56 -0.25 0.00 0.00 175.52 176.94 1d4h h GLN 92 N 0.77 0.00 -0.40 4.72 1.08 -1.58 -2.01 115.11 117.68 1d4h h GLN 92 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1d4h h GLN 92 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1d4h h GLN 92 CO 0.01 0.19 0.00 0.44 -0.95 0.00 0.00 178.83 178.51 1d4h n ILE 93 N -3.72 0.52 -2.09 2.54 -5.35 -1.09 -4.94 119.36 105.23 1d4h n ILE 93 Ca -0.02 -0.71 -0.06 0.00 -0.27 0.00 0.00 62.75 61.69 1d4h n ILE 93 Cb 0.30 0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1d4h n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4h n GLY 94 N 1.47 0.14 3.73 3.28 0.00 -0.76 -5.01 105.19 108.04 1d4h n GLY 94 Ca 0.19 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1d4h n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4h s THR 96 N 0.27 0.67 -0.15 0.00 -4.23 -1.26 -4.68 115.64 106.26 1d4h s THR 96 Ca 0.50 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1d4h s THR 96 Cb -0.26 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1d4h s THR 96 CO 0.31 -0.65 0.10 -0.76 -0.54 0.00 0.00 174.62 173.08 1d4h s LEU 97 N -3.11 4.12 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.54 1d4h s LEU 97 Ca 0.19 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1d4h s LEU 97 Cb 0.06 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1d4h s LEU 97 CO 0.00 0.29 -0.06 0.20 0.23 0.00 0.00 176.35 177.01 1d4h s ASN 98 N -0.29 0.69 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.21 1d4h s ASN 98 Ca 0.10 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.29 1d4h s ASN 98 Cb -0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 1d4h s ASN 98 CO 0.01 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.82