#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4s s GLN 2 N 0.00 3.81 -0.16 0.54 0.74 -1.26 -5.09 119.66 118.24 1d4s s GLN 2 Ca 0.00 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1d4s s GLN 2 Cb 0.00 -3.20 0.02 0.00 1.10 0.00 0.00 33.01 30.92 1d4s s GLN 2 CO 0.00 0.42 -0.20 0.42 -0.55 0.00 0.00 175.29 175.39 1d4s s ILE 3 N -0.04 1.99 0.62 -2.34 1.01 -1.26 -5.12 121.20 116.06 1d4s s ILE 3 Ca 0.07 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 1d4s s ILE 3 Cb -0.12 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1d4s s ILE 3 CO 0.01 0.53 0.94 0.42 0.00 0.00 0.00 174.94 176.83 1d4s s THR 4 N 1.14 3.24 -0.38 2.92 -4.23 -1.26 -5.02 115.64 112.05 1d4s s THR 4 Ca 0.01 -0.08 0.16 0.00 -1.18 0.00 0.00 61.69 60.59 1d4s s THR 4 Cb -0.14 -3.31 0.56 0.00 1.34 0.00 0.00 72.50 70.95 1d4s s THR 4 CO -0.09 -0.33 1.47 0.18 -0.54 0.00 0.00 174.62 175.31 1d4s n LEU 5 N -2.68 4.11 -0.28 4.79 4.77 -1.26 -4.45 117.00 122.00 1d4s n LEU 5 Ca 0.06 -2.81 0.01 0.00 -0.03 0.00 0.00 56.01 53.23 1d4s n LEU 5 Cb 0.58 -0.53 0.21 0.00 -2.33 0.00 0.00 43.42 41.36 1d4s n LEU 5 CO 0.52 0.69 1.26 -0.50 -1.33 0.00 0.00 177.39 178.03 1d4s h TRP 6 N 2.37 1.06 -0.56 -1.77 4.06 -2.06 -3.44 115.95 115.61 1d4s h TRP 6 Ca 0.00 0.03 -0.64 0.00 2.06 0.00 0.00 58.89 60.34 1d4s h TRP 6 Cb 1.43 -0.36 -0.10 0.00 -1.00 0.00 0.00 29.16 29.13 1d4s h TRP 6 CO 0.57 0.64 -0.45 -0.65 -3.56 0.00 0.00 178.44 175.00 1d4s s GLN 7 N -5.94 2.21 0.34 0.49 1.11 -1.26 -5.08 119.66 111.53 1d4s s GLN 7 Ca -0.12 -2.23 -0.28 0.00 0.01 0.00 0.00 55.36 52.75 1d4s s GLN 7 Cb 0.18 -1.76 -0.10 0.00 -1.01 0.00 0.00 33.01 30.33 1d4s s GLN 7 CO 0.80 -0.42 1.24 1.03 0.01 0.00 0.00 175.29 177.95 1d4s s ARG 8 N -4.01 4.31 -1.28 2.91 1.81 -1.26 -4.86 118.95 116.57 1d4s s ARG 8 Ca 0.18 2.06 -0.18 0.00 -1.72 0.00 0.00 55.73 56.07 1d4s s ARG 8 Cb 0.01 -2.98 0.02 0.00 -0.45 0.00 0.00 34.95 31.54 1d4s s ARG 8 CO 0.11 -0.17 1.95 -0.35 -0.68 0.00 0.00 175.30 176.16 1d4s n PRO 9 N 0.66 2.70 -3.21 3.54 -0.04 -1.26 -4.94 135.00 132.44 1d4s n PRO 9 Ca 0.01 -2.80 -0.39 0.00 -0.04 0.00 0.00 63.50 60.29 1d4s n PRO 9 Cb 0.43 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 1d4s n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4s s LEU 10 N 4.08 4.38 0.14 1.53 1.43 -1.26 -1.43 118.68 127.55 1d4s s LEU 10 Ca 0.54 1.09 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1d4s s LEU 10 Cb 0.08 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1d4s s LEU 10 CO 0.03 0.06 -0.10 0.68 0.23 0.00 0.00 176.35 177.25 1d4s s VAL 11 N 0.08 1.14 -0.03 -1.59 -7.23 0.93 -4.94 120.40 108.76 1d4s s VAL 11 Ca 0.31 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 1d4s s VAL 11 Cb -0.17 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1d4s s VAL 11 CO 0.16 -0.74 0.40 -0.89 -0.31 0.00 0.00 175.10 173.72 1d4s s THR 12 N -3.27 5.08 0.37 5.32 2.01 -1.26 0.19 115.64 124.07 1d4s s THR 12 Ca 0.16 0.82 0.06 0.00 0.31 0.00 0.00 61.69 63.04 1d4s s THR 12 Cb 0.02 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1d4s s THR 12 CO 0.00 0.54 0.02 0.27 -0.69 0.00 0.00 174.62 174.76 1d4s s ILE 13 N -0.77 1.68 -0.06 1.82 -4.36 0.50 -3.45 121.20 116.56 1d4s s ILE 13 Ca 0.23 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 1d4s s ILE 13 Cb -0.16 -2.87 0.01 0.00 1.25 0.00 0.00 42.46 40.69 1d4s s ILE 13 CO 0.12 -0.03 -0.12 -0.54 0.24 0.00 0.00 174.94 174.61 1d4s s LYS 14 N -3.78 1.64 -0.28 0.37 1.02 -0.19 -0.10 119.74 118.43 1d4s s LYS 14 Ca 0.35 -0.40 -0.22 0.00 0.02 0.00 0.00 55.97 55.72 1d4s s LYS 14 Cb 0.09 -1.37 0.08 0.00 -0.52 0.00 0.00 37.83 36.11 1d4s s LYS 14 CO 0.17 0.03 0.77 -1.50 -0.92 0.00 0.00 175.35 173.90 1d4s s ILE 15 N 0.63 0.00 -2.08 2.17 2.07 -1.01 -2.31 121.20 120.67 1d4s s ILE 15 Ca -0.14 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1d4s s ILE 15 Cb -0.15 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.44 1d4s s ILE 15 CO 0.03 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 1d4s n GLY 16 N 3.20 1.40 2.08 1.50 0.00 -1.26 -0.65 105.19 111.46 1d4s n GLY 16 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1d4s n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4s n GLY 17 N -0.52 0.58 2.97 -0.02 0.00 -1.26 -5.03 105.19 101.91 1d4s n GLY 17 Ca -0.21 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1d4s n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4s s GLN 18 N -2.42 1.94 0.24 1.61 -0.21 0.18 -5.12 119.66 115.89 1d4s s GLN 18 Ca 0.00 -0.58 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 1d4s s GLN 18 Cb 0.00 -2.10 -0.09 0.00 1.00 0.00 0.00 33.01 31.82 1d4s s GLN 18 CO 0.00 -0.33 1.23 -0.51 -2.12 0.00 0.00 175.29 173.56 1d4s s LEU 19 N 1.52 4.46 0.21 2.90 1.43 -1.26 -2.41 118.68 125.53 1d4s s LEU 19 Ca 0.02 2.37 -0.05 0.00 -1.03 0.00 0.00 54.13 55.44 1d4s s LEU 19 Cb -0.14 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1d4s s LEU 19 CO -0.09 -0.39 0.25 -0.54 0.23 0.00 0.00 176.35 175.81 1d4s s LYS 20 N -0.75 1.31 -0.11 1.70 1.02 0.85 -4.95 119.74 118.82 1d4s s LYS 20 Ca 0.51 -1.48 0.01 0.00 0.02 0.00 0.00 55.97 55.04 1d4s s LYS 20 Cb -0.35 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1d4s s LYS 20 CO 0.41 -0.47 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.23 1d4s s GLU 21 N -4.10 3.14 0.16 1.68 2.12 -1.26 0.19 118.70 120.63 1d4s s GLU 21 Ca 0.32 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.98 1d4s s GLU 21 Cb 0.04 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1d4s s GLU 21 CO 0.10 0.33 0.02 0.00 -0.54 0.00 0.00 175.26 175.18 1d4s s ALA 22 N 0.04 1.19 -0.22 6.30 0.00 0.49 -4.62 121.76 124.94 1d4s s ALA 22 Ca -0.04 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 1d4s s ALA 22 Cb -0.14 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1d4s s ALA 22 CO 0.04 -0.38 0.11 -1.17 0.00 0.00 0.00 175.76 174.36 1d4s s LEU 23 N -3.13 3.91 -0.67 0.00 2.96 -0.53 -0.05 118.68 121.17 1d4s s LEU 23 Ca 0.24 0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 53.94 1d4s s LEU 23 Cb 0.07 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.76 1d4s s LEU 23 CO 0.03 0.09 1.18 -0.76 -1.32 0.00 0.00 176.35 175.57 1d4s s LEU 24 N 0.89 3.50 -0.33 -0.68 1.43 -0.52 -0.98 118.68 121.99 1d4s s LEU 24 Ca 0.06 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1d4s s LEU 24 Cb -0.13 -2.71 0.07 0.00 0.03 0.00 0.00 46.19 43.45 1d4s s LEU 24 CO 0.03 -1.64 0.05 -0.62 0.23 0.00 0.00 176.35 174.40 1d4s s ASP 25 N 3.47 4.94 0.00 2.29 3.68 -0.96 -4.81 116.67 125.28 1d4s s ASP 25 Ca 0.34 -1.60 0.31 0.00 2.13 0.00 0.00 52.55 53.73 1d4s s ASP 25 Cb -0.10 -1.72 1.61 0.00 -1.45 0.00 0.00 42.92 41.26 1d4s s ASP 25 CO 0.17 -0.35 2.09 0.35 0.13 0.00 0.00 175.17 177.57 1d4s n THR 26 N 4.55 0.00 0.85 1.71 -2.24 -1.26 -2.96 114.28 114.93 1d4s n THR 26 Ca -0.08 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1d4s n THR 26 Cb 0.43 -0.49 0.11 0.00 -2.10 0.00 0.00 70.33 68.28 1d4s n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4s n GLY 27 N 1.22 -1.20 3.65 3.38 0.00 -1.26 -4.82 105.19 106.16 1d4s n GLY 27 Ca 0.17 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1d4s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4s s ALA 28 N -3.07 3.56 0.23 4.61 0.00 -1.15 -4.96 121.76 120.98 1d4s s ALA 28 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1d4s s ALA 28 Cb 0.16 -2.97 0.25 0.00 0.00 0.00 0.00 23.12 20.55 1d4s s ALA 28 CO 0.76 -0.61 1.64 -0.44 0.00 0.00 0.00 175.76 177.12 1d4s h ASP 29 N 7.58 0.67 -1.12 0.00 3.45 -1.89 -0.46 116.42 124.65 1d4s h ASP 29 Ca -0.30 -0.25 -0.61 0.00 0.43 0.00 0.00 57.03 56.29 1d4s h ASP 29 Cb 1.14 -0.19 -0.10 0.00 -0.56 0.00 0.00 39.33 39.62 1d4s h ASP 29 CO 0.77 0.91 -0.49 -1.81 -1.57 0.00 0.00 179.24 177.05 1d4s s ASP 30 N -6.79 4.27 -0.25 6.45 1.01 -1.26 -2.73 116.67 117.37 1d4s s ASP 30 Ca -0.08 -1.32 -0.07 0.00 0.71 0.00 0.00 52.55 51.78 1d4s s ASP 30 Cb 0.13 -0.06 -0.03 0.00 1.01 0.00 0.00 42.92 43.97 1d4s s ASP 30 CO 0.82 -0.70 0.07 -0.89 0.21 0.00 0.00 175.17 174.69 1d4s s THR 31 N -2.72 4.37 -0.12 -1.27 2.01 -1.26 -3.13 115.64 113.51 1d4s s THR 31 Ca 0.29 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1d4s s THR 31 Cb 0.04 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1d4s s THR 31 CO 0.16 0.34 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.54 1d4s s VAL 32 N 1.54 1.91 0.28 3.82 1.01 -0.44 -1.33 120.40 127.19 1d4s s VAL 32 Ca 0.06 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.25 1d4s s VAL 32 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1d4s s VAL 32 CO 0.04 0.52 -0.13 -0.76 0.00 0.00 0.00 175.10 174.77 1d4s s LEU 33 N 0.72 2.78 0.72 3.92 1.43 -0.31 -0.83 118.68 127.11 1d4s s LEU 33 Ca -0.10 -0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 51.94 1d4s s LEU 33 Cb -0.16 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.81 1d4s s LEU 33 CO 0.01 0.01 1.13 -1.83 0.23 0.00 0.00 176.35 175.91 1d4s s GLU 34 N -3.57 2.39 0.12 1.70 -1.05 -1.26 -2.52 118.70 114.51 1d4s s GLU 34 Ca 0.31 1.46 -0.30 0.00 -0.15 0.00 0.00 54.97 56.28 1d4s s GLU 34 Cb -0.05 -1.89 -0.17 0.00 -0.44 0.00 0.00 34.13 31.58 1d4s s GLU 34 CO 0.17 -1.58 0.66 -1.91 0.95 0.00 0.00 175.26 173.55 1d4s n GLU 35 N -2.84 0.00 -3.69 -4.83 4.07 -0.99 -4.65 120.64 107.71 1d4s n GLU 35 Ca 0.11 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.20 1d4s n GLU 35 Cb 0.52 -1.10 -0.01 0.00 -0.06 0.00 0.00 31.44 30.79 1d4s n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4s s MET 36 N -0.61 0.82 -0.26 5.31 0.23 -1.26 -5.01 119.30 118.53 1d4s s MET 36 Ca 0.69 -0.46 -0.09 0.00 -1.03 0.00 0.00 55.69 54.80 1d4s s MET 36 Cb -0.98 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 32.56 1d4s s MET 36 CO 0.53 -0.38 0.13 0.45 -2.03 0.00 0.00 175.02 173.72 1d4s s SER 37 N -2.96 5.69 0.09 -1.18 0.15 -1.26 -5.04 113.70 109.19 1d4s s SER 37 Ca 0.13 -0.06 0.09 0.00 0.70 0.00 0.00 55.95 56.81 1d4s s SER 37 Cb 0.02 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1d4s s SER 37 CO -0.01 -0.01 -0.20 -0.76 1.20 0.00 0.00 173.24 173.46 1d4s s LEU 38 N 1.51 2.58 0.61 3.45 1.43 -1.26 -4.95 118.68 122.05 1d4s s LEU 38 Ca 0.06 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1d4s s LEU 38 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1d4s s LEU 38 CO 0.07 0.21 1.03 -2.16 0.23 0.00 0.00 176.35 175.72 1d4s s PRO 39 N -1.83 3.57 0.00 1.29 0.04 -1.26 -4.92 135.00 131.89 1d4s s PRO 39 Ca 0.16 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1d4s s PRO 39 Cb -0.10 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1d4s s PRO 39 CO 0.07 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1d4s n GLY 40 N -2.41 -0.50 3.89 0.56 0.00 -1.26 -4.97 105.19 100.50 1d4s n GLY 40 Ca 0.06 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 1d4s n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4s s ARG 41 N -1.09 3.65 0.13 1.61 0.52 -1.26 -5.10 118.95 117.41 1d4s s ARG 41 Ca 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 1d4s s ARG 41 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1d4s s ARG 41 CO 0.00 -0.08 -0.06 1.67 0.02 0.00 0.00 175.30 176.85 1d4s s TRP 42 N -2.50 1.06 0.14 -0.53 1.48 -1.26 -4.66 118.94 112.67 1d4s s TRP 42 Ca 0.48 -0.89 0.09 0.00 -1.06 0.00 0.00 56.10 54.72 1d4s s TRP 42 Cb -0.10 -0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 31.58 1d4s s TRP 42 CO 0.37 -0.10 -0.16 -1.59 -4.06 0.00 0.00 176.95 171.41 1d4s s LYS 43 N -3.83 1.84 0.28 3.25 0.00 -0.72 -4.85 119.74 115.71 1d4s s LYS 43 Ca 0.16 -1.22 -0.28 0.00 0.00 0.00 0.00 55.97 54.62 1d4s s LYS 43 Cb 0.05 -2.11 -0.09 0.00 0.00 0.00 0.00 37.83 35.67 1d4s s LYS 43 CO -0.02 0.46 0.98 -1.25 0.00 0.00 0.00 175.35 175.53 1d4s s PRO 44 N -2.34 4.69 0.13 1.78 0.04 -1.26 -0.52 135.00 137.52 1d4s s PRO 44 Ca 0.20 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 1d4s s PRO 44 Cb -0.10 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1d4s s PRO 44 CO 0.11 0.34 0.22 0.21 0.04 0.00 0.00 177.00 177.93 1d4s s LYS 45 N -1.58 1.02 -0.18 4.56 2.20 -0.01 -4.90 119.74 120.85 1d4s s LYS 45 Ca 0.46 -1.14 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1d4s s LYS 45 Cb -0.25 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1d4s s LYS 45 CO 0.31 -0.35 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.12 1d4s s MET 46 N -3.94 3.02 -0.05 4.03 -1.94 -1.26 -1.10 119.30 118.07 1d4s s MET 46 Ca 0.14 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.36 1d4s s MET 46 Cb 0.04 -2.58 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 1d4s s MET 46 CO -0.03 -0.18 -0.24 0.96 -0.01 0.00 0.00 175.02 175.52 1d4s s ILE 47 N 1.24 1.94 0.23 2.53 -4.36 -1.12 -4.98 121.20 116.67 1d4s s ILE 47 Ca 0.03 -1.01 0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1d4s s ILE 47 Cb -0.13 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.90 1d4s s ILE 47 CO -0.11 0.54 0.20 -0.83 0.24 0.00 0.00 174.94 174.99 1d4s s GLY 48 N -0.24 1.46 0.00 6.27 0.00 -1.26 -1.98 107.32 111.57 1d4s s GLY 48 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1d4s s GLY 48 CO 0.02 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.36 1d4s n GLY 49 N -1.01 1.63 3.70 0.20 0.00 -1.00 -4.97 105.19 103.74 1d4s n GLY 49 Ca -0.08 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1d4s n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4s s ILE 50 N -2.77 2.61 0.00 -0.61 1.09 -1.26 -1.18 121.20 119.08 1d4s s ILE 50 Ca 0.00 0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.74 1d4s s ILE 50 Cb 0.00 -3.12 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 1d4s s ILE 50 CO 0.00 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.45 1d4s n GLY 51 N 4.10 2.63 0.00 6.18 0.00 -1.26 -5.01 105.19 111.84 1d4s n GLY 51 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1d4s n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4s n GLY 52 N -0.77 -0.22 3.87 -0.02 0.00 -0.33 -5.05 105.19 102.67 1d4s n GLY 52 Ca 0.00 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1d4s n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4s s PHE 53 N 0.00 3.53 -0.02 1.61 0.08 -1.26 -2.37 117.98 119.54 1d4s s PHE 53 Ca 0.00 0.81 0.04 0.00 0.12 0.00 0.00 56.93 57.90 1d4s s PHE 53 Cb 0.00 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1d4s s PHE 53 CO 0.00 0.43 -0.14 0.96 -0.10 0.00 0.00 175.22 176.37 1d4s s ILE 54 N -1.56 1.16 0.19 0.64 -4.36 -0.84 -4.99 121.20 111.44 1d4s s ILE 54 Ca 0.39 -0.60 -0.30 0.00 -0.26 0.00 0.00 60.65 59.87 1d4s s ILE 54 Cb -0.13 -0.98 -0.08 0.00 1.25 0.00 0.00 42.46 42.52 1d4s s ILE 54 CO 0.20 0.33 0.97 -0.75 0.24 0.00 0.00 174.94 175.93 1d4s s LYS 55 N -0.16 4.77 0.15 0.37 2.20 -1.26 -2.79 119.74 123.02 1d4s s LYS 55 Ca 0.02 1.50 0.02 0.00 -0.36 0.00 0.00 55.97 57.16 1d4s s LYS 55 Cb -0.08 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1d4s s LYS 55 CO 0.00 0.35 -0.04 0.14 -0.36 0.00 0.00 175.35 175.45 1d4s s VAL 56 N -0.64 0.80 -0.24 4.02 -7.23 -0.25 -4.35 120.40 112.51 1d4s s VAL 56 Ca 0.44 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1d4s s VAL 56 Cb -0.25 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1d4s s VAL 56 CO 0.32 -0.63 0.07 -0.13 -0.31 0.00 0.00 175.10 174.42 1d4s s ARG 57 N -3.86 3.72 -0.33 4.82 0.52 0.95 -0.83 118.95 123.94 1d4s s ARG 57 Ca 0.20 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 1d4s s ARG 57 Cb 0.05 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 1d4s s ARG 57 CO 0.01 -0.10 0.33 -1.14 0.02 0.00 0.00 175.30 174.43 1d4s s GLN 58 N 1.38 3.59 -0.16 3.54 0.74 0.33 -0.66 119.66 128.42 1d4s s GLN 58 Ca 0.05 -0.42 -0.07 0.00 0.05 0.00 0.00 55.36 54.97 1d4s s GLN 58 Cb -0.15 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.13 1d4s s GLN 58 CO 0.04 -0.48 0.09 0.71 -0.55 0.00 0.00 175.29 175.09 1d4s s TYR 59 N 1.96 3.36 0.33 1.67 1.51 0.04 -1.75 117.35 124.46 1d4s s TYR 59 Ca 0.11 0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.50 1d4s s TYR 59 Cb -0.17 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1d4s s TYR 59 CO 0.11 0.36 0.26 -0.51 -1.11 0.00 0.00 175.55 174.66 1d4s s ASP 60 N -0.13 5.17 -1.32 2.29 -0.00 -1.26 0.25 116.67 121.68 1d4s s ASP 60 Ca 0.08 -0.54 -0.08 0.00 -0.00 0.00 0.00 52.55 52.01 1d4s s ASP 60 Cb -0.12 -0.94 0.00 0.00 -0.00 0.00 0.00 42.92 41.86 1d4s s ASP 60 CO 0.01 -0.33 0.54 0.00 -0.00 0.00 0.00 175.17 175.39 1d4s n GLN 61 N -1.32 -2.50 -3.92 8.23 6.02 -1.25 -4.90 117.38 117.74 1d4s n GLN 61 Ca -0.02 0.40 -0.36 0.00 -0.01 0.00 0.00 57.00 57.00 1d4s n GLN 61 Cb 0.60 -4.29 -0.07 0.00 1.02 0.00 0.00 30.24 27.50 1d4s n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4s s ILE 62 N -3.79 5.32 -0.03 5.09 -1.09 -0.58 -4.72 121.20 121.41 1d4s s ILE 62 Ca 0.17 0.14 -0.22 0.00 -2.23 0.00 0.00 60.65 58.51 1d4s s ILE 62 Cb -0.07 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1d4s s ILE 62 CO 0.89 0.58 0.66 -0.22 -1.23 0.00 0.00 174.94 175.62 1d4s s LEU 63 N -0.73 4.37 -0.01 2.97 0.20 -1.26 -0.61 118.68 123.61 1d4s s LEU 63 Ca 0.13 1.20 0.02 0.00 0.69 0.00 0.00 54.13 56.16 1d4s s LEU 63 Cb -0.12 -3.03 -0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1d4s s LEU 63 CO 0.03 -0.01 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.39 1d4s s ILE 64 N 0.32 0.41 -0.36 6.68 1.01 0.27 -4.69 121.20 124.84 1d4s s ILE 64 Ca 0.35 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.73 1d4s s ILE 64 Cb -0.18 -0.36 0.05 0.00 0.01 0.00 0.00 42.46 41.98 1d4s s ILE 64 CO 0.18 0.13 0.14 -1.61 0.00 0.00 0.00 174.94 173.78 1d4s s GLU 65 N 0.01 2.58 -0.24 2.79 2.02 -0.98 -1.40 118.70 123.49 1d4s s GLU 65 Ca 0.00 -1.27 -0.00 0.00 0.02 0.00 0.00 54.97 53.72 1d4s s GLU 65 Cb -0.04 -3.54 0.03 0.00 0.10 0.00 0.00 34.13 30.69 1d4s s GLU 65 CO -0.00 -0.75 -0.10 -1.50 0.02 0.00 0.00 175.26 172.93 1d4s s ILE 66 N 1.39 2.58 -1.12 -1.63 2.07 0.23 -1.02 121.20 123.71 1d4s s ILE 66 Ca -0.00 -1.11 -0.01 0.00 -1.41 0.00 0.00 60.65 58.12 1d4s s ILE 66 Cb -0.20 -2.30 -0.01 0.00 0.13 0.00 0.00 42.46 40.07 1d4s s ILE 66 CO 0.02 0.23 0.94 0.00 -1.91 0.00 0.00 174.94 174.23 1d4s n GLY 68 N -1.14 0.06 3.30 0.00 0.00 -1.26 -4.93 105.19 101.22 1d4s n GLY 68 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1d4s n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4s s HIS 69 N -2.40 2.95 0.51 1.61 4.02 -0.81 -5.09 115.29 116.08 1d4s s HIS 69 Ca 0.00 -0.97 -0.20 0.00 1.02 0.00 0.00 55.06 54.92 1d4s s HIS 69 Cb 0.00 -2.09 -0.07 0.00 -1.02 0.00 0.00 32.58 29.39 1d4s s HIS 69 CO 0.00 -0.56 1.07 0.15 1.02 0.00 0.00 174.74 176.42 1d4s s LYS 70 N 1.46 3.62 -0.28 1.40 1.02 -1.26 -0.60 119.74 125.09 1d4s s LYS 70 Ca 0.06 1.42 -0.23 0.00 0.02 0.00 0.00 55.97 57.23 1d4s s LYS 70 Cb -0.14 -2.06 0.13 0.00 -0.52 0.00 0.00 37.83 35.24 1d4s s LYS 70 CO -0.04 -0.60 1.05 0.00 -0.92 0.00 0.00 175.35 174.85 1d4s s ALA 71 N -1.97 -2.04 0.14 5.17 0.00 -0.49 -4.81 121.76 117.75 1d4s s ALA 71 Ca 0.68 1.92 0.10 0.00 0.00 0.00 0.00 51.96 54.66 1d4s s ALA 71 Cb -0.18 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1d4s s ALA 71 CO 0.24 -0.25 -0.19 -1.50 0.00 0.00 0.00 175.76 174.06 1d4s s ILE 72 N 0.41 2.74 0.00 0.00 -1.16 -1.25 0.94 121.20 122.88 1d4s s ILE 72 Ca 0.01 -1.66 0.00 0.00 -0.51 0.00 0.00 60.65 58.49 1d4s s ILE 72 Cb -0.05 -2.28 0.00 0.00 0.61 0.00 0.00 42.46 40.74 1d4s s ILE 72 CO -0.09 0.02 0.00 0.61 -2.81 0.00 0.00 174.94 172.68 1d4s n GLY 73 N 0.58 1.14 3.75 1.50 0.00 0.22 -4.85 105.19 107.54 1d4s n GLY 73 Ca -0.15 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1d4s n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4s s THR 74 N -2.00 2.86 -0.04 2.61 2.01 -1.26 -1.52 115.64 118.30 1d4s s THR 74 Ca 0.00 0.79 0.02 0.00 0.31 0.00 0.00 61.69 62.81 1d4s s THR 74 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.02 1d4s s THR 74 CO 0.00 0.15 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.29 1d4s s VAL 75 N -0.52 0.94 -0.16 3.82 1.01 0.14 -4.50 120.40 121.12 1d4s s VAL 75 Ca 0.53 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1d4s s VAL 75 Cb -0.39 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1d4s s VAL 75 CO 0.46 0.30 -0.03 -0.76 0.00 0.00 0.00 175.10 175.07 1d4s s LEU 76 N 0.39 3.24 -0.18 3.92 1.43 -0.44 -0.78 118.68 126.26 1d4s s LEU 76 Ca -0.08 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1d4s s LEU 76 Cb -0.12 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 1d4s s LEU 76 CO 0.02 0.15 -0.00 -0.69 0.23 0.00 0.00 176.35 176.05 1d4s s VAL 77 N 0.49 4.11 0.00 -1.59 1.01 0.17 -1.16 120.40 123.42 1d4s s VAL 77 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1d4s s VAL 77 Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1d4s s VAL 77 CO 0.03 0.46 0.06 0.61 0.00 0.00 0.00 175.10 176.25 1d4s n GLY 78 N 3.83 0.89 1.84 4.51 0.00 -1.05 -0.04 105.19 115.17 1d4s n GLY 78 Ca -0.17 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1d4s n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4s n PRO 79 N -0.04 0.89 -2.39 1.61 -0.04 -1.26 -2.34 135.00 131.42 1d4s n PRO 79 Ca 0.00 -0.23 -0.39 0.00 -0.04 0.00 0.00 63.50 62.84 1d4s n PRO 79 Cb 0.03 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 1d4s n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4s s THR 80 N 1.02 3.32 0.23 0.52 -1.32 -1.26 -4.95 115.64 113.20 1d4s s THR 80 Ca 0.15 1.23 -0.03 0.00 -1.21 0.00 0.00 61.69 61.84 1d4s s THR 80 Cb 0.07 -3.75 0.05 0.00 -1.51 0.00 0.00 72.50 67.36 1d4s s THR 80 CO 0.00 0.23 1.66 1.55 -2.21 0.00 0.00 174.62 175.85 1d4s h PRO 81 N 3.32 0.74 -4.67 7.08 0.13 -1.97 -3.43 132.00 133.20 1d4s h PRO 81 Ca -0.48 -0.28 -0.27 0.00 -0.87 0.00 0.00 66.00 64.11 1d4s h PRO 81 Cb 1.22 -0.04 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 1d4s h PRO 81 CO 0.65 0.87 -0.72 0.12 -0.23 0.00 0.00 178.00 178.69 1d4s s PHE 82 N -4.65 0.80 -0.02 1.56 5.36 -1.26 -5.04 117.98 114.73 1d4s s PHE 82 Ca -0.09 -0.65 -0.30 0.00 -0.96 0.00 0.00 56.93 54.93 1d4s s PHE 82 Cb 0.13 -0.47 -0.03 0.00 -0.34 0.00 0.00 43.02 42.31 1d4s s PHE 82 CO 0.83 -0.09 1.07 -0.80 -1.46 0.00 0.00 175.22 174.76 1d4s s ASN 83 N -2.14 7.23 -0.09 6.13 0.01 -1.26 -4.64 114.94 120.17 1d4s s ASN 83 Ca -0.01 1.73 -0.01 0.00 -0.71 0.00 0.00 52.86 53.87 1d4s s ASN 83 Cb -0.04 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1d4s s ASN 83 CO -0.01 -0.40 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.44 1d4s s VAL 84 N 1.45 0.77 -0.38 1.60 1.01 -0.01 -1.45 120.40 123.39 1d4s s VAL 84 Ca 0.53 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1d4s s VAL 84 Cb -0.23 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1d4s s VAL 84 CO 0.25 0.32 0.68 -0.63 0.00 0.00 0.00 175.10 175.72 1d4s s ILE 85 N 1.69 4.82 0.80 2.22 -1.09 -0.15 -1.33 121.20 128.16 1d4s s ILE 85 Ca 0.03 0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.95 1d4s s ILE 85 Cb -0.13 -4.15 0.16 0.00 -1.58 0.00 0.00 42.46 36.76 1d4s s ILE 85 CO -0.06 -0.43 1.10 -0.83 -1.23 0.00 0.00 174.94 173.48 1d4s s GLY 86 N 1.88 1.76 0.50 6.18 0.00 -1.19 -2.25 107.32 114.20 1d4s s GLY 86 Ca 0.26 -1.70 0.22 0.00 0.00 0.00 0.00 44.72 43.50 1d4s s GLY 86 CO 0.17 -1.04 1.97 3.21 0.00 0.00 0.00 173.10 177.41 1d4s h ARG 87 N -0.86 0.13 -1.00 2.90 3.08 -1.17 -0.82 114.38 116.64 1d4s h ARG 87 Ca -0.37 -0.01 0.26 0.00 0.07 0.00 0.00 59.98 59.94 1d4s h ARG 87 Cb 1.25 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 1d4s h ARG 87 CO 0.37 0.08 0.57 -2.95 -1.07 0.00 0.00 179.97 176.98 1d4s h ASN 88 N 0.13 0.61 0.00 7.04 -1.07 -1.74 -1.16 115.58 119.38 1d4s h ASN 88 Ca 0.29 0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.81 1d4s h ASN 88 Cb 0.96 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1d4s h ASN 88 CO -0.04 0.03 -0.92 0.18 0.07 0.00 0.00 177.43 176.76 1d4s n LEU 89 N -4.94 0.37 0.12 6.14 4.77 -0.63 -4.45 117.00 118.37 1d4s n LEU 89 Ca 0.28 -0.32 -0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1d4s n LEU 89 Cb 0.80 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.18 1d4s n LEU 89 CO 0.14 0.09 0.71 -0.07 -1.33 0.00 0.00 177.39 176.93 1d4s h LEU 90 N 0.00 0.18 -0.20 2.23 3.38 -0.02 -2.69 115.31 118.19 1d4s h LEU 90 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1d4s h LEU 90 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1d4s h LEU 90 CO 0.00 0.52 0.04 0.71 0.09 0.00 0.00 178.44 179.80 1d4s h THR 91 N 0.15 1.22 -0.39 0.22 1.35 -1.55 -0.82 112.91 113.10 1d4s h THR 91 Ca 0.02 -0.72 0.11 0.00 -0.55 0.00 0.00 66.41 65.27 1d4s h THR 91 Cb 0.69 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.41 1d4s h THR 91 CO 0.05 0.22 0.47 1.56 -0.25 0.00 0.00 175.52 177.57 1d4s h GLN 92 N 0.13 0.00 -0.33 4.72 1.08 -1.70 0.82 115.11 119.84 1d4s h GLN 92 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1d4s h GLN 92 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1d4s h GLN 92 CO 0.00 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 1d4s n ILE 93 N -3.58 2.19 -2.97 2.54 -5.35 -1.15 -4.93 119.36 106.12 1d4s n ILE 93 Ca 0.07 -1.69 -0.17 0.00 -0.27 0.00 0.00 62.75 60.68 1d4s n ILE 93 Cb 0.63 -0.16 0.04 0.00 -1.74 0.00 0.00 39.64 38.41 1d4s n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4s n GLY 94 N -0.18 -0.21 3.74 3.28 0.00 0.28 -4.99 105.19 107.11 1d4s n GLY 94 Ca 0.21 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1d4s n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4s s THR 96 N -0.45 1.07 -0.13 0.00 -4.23 -1.26 -4.72 115.64 105.92 1d4s s THR 96 Ca 0.45 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1d4s s THR 96 Cb -0.25 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 1d4s s THR 96 CO 0.31 -0.06 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.95 1d4s s LEU 97 N -3.42 2.55 0.05 4.79 2.96 -1.26 -5.09 118.68 119.26 1d4s s LEU 97 Ca 0.35 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1d4s s LEU 97 Cb 0.08 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 1d4s s LEU 97 CO 0.14 0.16 -0.14 0.20 -1.32 0.00 0.00 176.35 175.38 1d4s s ASN 98 N 0.39 1.70 0.00 3.68 -0.87 -1.26 -5.29 114.94 113.29 1d4s s ASN 98 Ca -0.12 -0.50 0.00 0.00 -1.57 0.00 0.00 52.86 50.66 1d4s s ASN 98 Cb -0.16 -0.09 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 1d4s s ASN 98 CO 0.06 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.82