#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkz s GLN 2 N 0.00 3.47 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.84 2wkz s GLN 2 Ca 0.00 -0.59 -0.05 0.00 0.05 0.00 0.00 55.36 54.77 2wkz s GLN 2 Cb 0.00 -2.99 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 2wkz s GLN 2 CO 0.00 -0.07 -0.00 0.42 -0.55 0.00 0.00 175.29 175.09 2wkz s ILE 3 N 1.16 3.75 0.72 -2.34 1.01 -1.26 -5.10 121.20 119.14 2wkz s ILE 3 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 2wkz s ILE 3 Cb -0.15 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2wkz s ILE 3 CO -0.00 0.40 1.10 0.42 0.00 0.00 0.00 174.94 176.86 2wkz s THR 4 N 1.46 3.35 -0.24 2.92 -4.23 -1.26 -5.00 115.64 112.65 2wkz s THR 4 Ca 0.05 0.44 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 2wkz s THR 4 Cb -0.15 -3.41 0.50 0.00 1.34 0.00 0.00 72.50 70.78 2wkz s THR 4 CO -0.00 -0.57 1.42 0.18 -0.54 0.00 0.00 174.62 175.11 2wkz n LEU 5 N -3.07 3.89 0.07 4.79 4.77 -1.26 -4.53 117.00 121.66 2wkz n LEU 5 Ca 0.07 -3.45 -0.02 0.00 -0.03 0.00 0.00 56.01 52.58 2wkz n LEU 5 Cb 0.57 -0.59 0.23 0.00 -2.33 0.00 0.00 43.42 41.31 2wkz n LEU 5 CO 0.57 1.01 0.71 -0.50 -1.33 0.00 0.00 177.39 177.85 2wkz h TRP 6 N 1.20 0.38 -1.61 -1.77 4.06 -2.06 -3.44 115.95 112.72 2wkz h TRP 6 Ca 0.12 -0.09 -0.63 0.00 2.06 0.00 0.00 58.89 60.36 2wkz h TRP 6 Cb 1.53 -0.09 -0.13 0.00 -1.00 0.00 0.00 29.16 29.47 2wkz h TRP 6 CO 0.76 0.62 -0.59 -0.65 -3.56 0.00 0.00 178.44 175.01 2wkz s GLN 7 N -4.35 1.98 0.30 0.49 -1.52 -1.26 -5.10 119.66 110.20 2wkz s GLN 7 Ca -0.06 -2.11 -0.29 0.00 -1.95 0.00 0.00 55.36 50.95 2wkz s GLN 7 Cb 0.14 -1.65 -0.10 0.00 -0.22 0.00 0.00 33.01 31.18 2wkz s GLN 7 CO 0.77 -0.06 1.39 1.03 -0.25 0.00 0.00 175.29 178.18 2wkz s ARG 8 N -3.72 4.28 -1.29 2.91 0.52 -1.26 -4.88 118.95 115.50 2wkz s ARG 8 Ca 0.34 2.31 -0.18 0.00 -0.52 0.00 0.00 55.73 57.68 2wkz s ARG 8 Cb 0.10 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.55 2wkz s ARG 8 CO 0.18 -0.34 1.77 -0.35 0.02 0.00 0.00 175.30 176.57 2wkz n PRO 9 N 1.38 3.01 -3.52 3.54 -0.04 -1.26 -4.95 135.00 133.16 2wkz n PRO 9 Ca 0.03 -3.17 -0.38 0.00 -0.04 0.00 0.00 63.50 59.94 2wkz n PRO 9 Cb 0.41 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 2wkz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wkz s LEU 10 N 4.97 4.44 0.09 1.53 1.43 -1.26 -1.31 118.68 128.56 2wkz s LEU 10 Ca 0.56 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2wkz s LEU 10 Cb 0.04 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2wkz s LEU 10 CO 0.08 0.29 -0.02 0.68 0.23 0.00 0.00 176.35 177.62 2wkz s VAL 11 N -0.83 0.37 0.03 -1.59 -7.23 -0.05 -4.95 120.40 106.14 2wkz s VAL 11 Ca 0.23 -1.88 -0.19 0.00 -1.81 0.00 0.00 61.98 58.33 2wkz s VAL 11 Cb -0.16 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.99 2wkz s VAL 11 CO 0.12 -0.80 0.55 -0.89 -0.31 0.00 0.00 175.10 173.76 2wkz s THR 12 N -3.84 4.86 0.18 5.32 2.01 -1.26 -0.50 115.64 122.41 2wkz s THR 12 Ca 0.14 1.16 0.08 0.00 0.31 0.00 0.00 61.69 63.37 2wkz s THR 12 Cb 0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2wkz s THR 12 CO -0.05 0.50 -0.15 0.27 -0.69 0.00 0.00 174.62 174.50 2wkz s ILE 13 N -0.72 1.69 -0.16 1.82 -4.36 0.15 -2.16 121.20 117.46 2wkz s ILE 13 Ca 0.29 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2wkz s ILE 13 Cb -0.18 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.64 2wkz s ILE 13 CO 0.17 -0.49 -0.16 -0.75 0.24 0.00 0.00 174.94 173.94 2wkz s LYS 14 N -3.26 2.55 -0.15 0.37 2.20 -0.22 -1.00 119.74 120.22 2wkz s LYS 14 Ca 0.18 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 2wkz s LYS 14 Cb -0.03 -2.26 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2wkz s LYS 14 CO 0.06 -0.21 0.41 -1.50 -0.36 0.00 0.00 175.35 173.76 2wkz s ILE 15 N 1.37 0.00 -1.27 5.43 2.07 0.25 -1.59 121.20 127.46 2wkz s ILE 15 Ca 0.04 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 2wkz s ILE 15 Cb -0.13 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 41.89 2wkz s ILE 15 CO -0.11 -0.00 0.09 0.61 -1.91 0.00 0.00 174.94 173.62 2wkz n GLY 16 N 2.86 -0.50 2.54 1.50 0.00 -1.26 0.28 105.19 110.60 2wkz n GLY 16 Ca -0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2wkz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkz n GLY 17 N -0.93 0.46 3.62 -0.02 0.00 -1.26 -5.00 105.19 102.05 2wkz n GLY 17 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 2wkz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wkz s GLN 18 N -0.48 2.27 -0.17 1.61 -0.21 0.14 -5.12 119.66 117.71 2wkz s GLN 18 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 55.36 54.27 2wkz s GLN 18 Cb 0.00 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 2wkz s GLN 18 CO 0.00 0.48 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.14 2wkz s LEU 19 N -2.56 3.41 0.10 2.90 1.43 -1.26 -0.58 118.68 122.13 2wkz s LEU 19 Ca 0.25 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2wkz s LEU 19 Cb -0.10 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2wkz s LEU 19 CO 0.16 0.16 0.00 -0.54 0.23 0.00 0.00 176.35 176.37 2wkz s LYS 20 N 0.41 0.82 -0.18 1.70 1.02 -0.17 -4.97 119.74 118.38 2wkz s LYS 20 Ca -0.02 -1.36 -0.08 0.00 0.02 0.00 0.00 55.97 54.53 2wkz s LYS 20 Cb -0.14 0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 37.23 2wkz s LYS 20 CO 0.02 -0.16 0.10 -2.00 -0.92 0.00 0.00 175.35 172.39 2wkz s GLU 21 N -3.95 3.94 0.05 1.68 2.12 -1.26 0.30 118.70 121.56 2wkz s GLU 21 Ca 0.16 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2wkz s GLU 21 Cb 0.07 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 2wkz s GLU 21 CO -0.03 0.38 -0.04 0.00 -0.54 0.00 0.00 175.26 175.03 2wkz s ALA 22 N 0.09 0.49 -0.20 6.30 0.00 0.34 -4.52 121.76 124.26 2wkz s ALA 22 Ca 0.07 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 2wkz s ALA 22 Cb -0.12 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2wkz s ALA 22 CO -0.00 -0.25 0.34 -1.17 0.00 0.00 0.00 175.76 174.68 2wkz s LEU 23 N -2.40 4.16 -0.45 0.00 2.96 0.20 -0.87 118.68 122.27 2wkz s LEU 23 Ca -0.00 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 2wkz s LEU 23 Cb 0.01 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.29 2wkz s LEU 23 CO -0.06 -0.03 1.30 -0.76 -1.32 0.00 0.00 176.35 175.48 2wkz s LEU 24 N 1.17 3.59 -0.35 -0.68 1.43 -0.43 -0.42 118.68 122.99 2wkz s LEU 24 Ca 0.17 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2wkz s LEU 24 Cb -0.14 -3.51 0.10 0.00 0.03 0.00 0.00 46.19 42.67 2wkz s LEU 24 CO 0.07 -1.39 0.07 -0.62 0.23 0.00 0.00 176.35 174.71 2wkz s ASP 25 N 3.37 4.84 0.30 2.29 -1.08 -0.28 -4.77 116.67 121.34 2wkz s ASP 25 Ca 0.55 -2.14 0.24 0.00 -0.52 0.00 0.00 52.55 50.68 2wkz s ASP 25 Cb -0.11 -1.66 1.08 0.00 -1.46 0.00 0.00 42.92 40.77 2wkz s ASP 25 CO 0.32 -0.40 1.73 0.71 0.52 0.00 0.00 175.17 178.04 2wkz h THR 26 N 6.57 0.00 -0.04 1.71 1.35 -1.93 -2.08 112.91 118.49 2wkz h THR 26 Ca -0.05 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2wkz h THR 26 Cb 1.02 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2wkz h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2wkz n GLY 27 N -0.31 0.20 3.57 5.82 0.00 -1.26 -4.83 105.19 108.38 2wkz n GLY 27 Ca 0.01 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 2wkz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkz s ALA 28 N -1.97 3.36 0.20 4.61 0.00 -0.78 -4.98 121.76 122.20 2wkz s ALA 28 Ca 0.36 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 2wkz s ALA 28 Cb 0.21 -2.07 0.13 0.00 0.00 0.00 0.00 23.12 21.38 2wkz s ALA 28 CO 0.32 -0.15 1.64 -0.44 0.00 0.00 0.00 175.76 177.14 2wkz h ASP 29 N 7.44 0.94 -1.99 0.00 3.32 -1.88 0.10 116.42 124.36 2wkz h ASP 29 Ca -0.37 -0.29 -0.59 0.00 0.02 0.00 0.00 57.03 55.79 2wkz h ASP 29 Cb 1.17 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 2wkz h ASP 29 CO 0.64 1.05 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.85 2wkz s ASP 30 N -6.65 3.33 -0.20 6.45 1.01 -1.26 -3.14 116.67 116.20 2wkz s ASP 30 Ca -0.11 -1.57 -0.08 0.00 0.71 0.00 0.00 52.55 51.50 2wkz s ASP 30 Cb 0.13 0.26 -0.04 0.00 1.01 0.00 0.00 42.92 44.28 2wkz s ASP 30 CO 0.85 -0.77 0.09 -0.89 0.21 0.00 0.00 175.17 174.66 2wkz s THR 31 N -3.04 4.94 -0.04 -1.27 2.01 -1.26 -3.02 115.64 113.96 2wkz s THR 31 Ca 0.22 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2wkz s THR 31 Cb 0.05 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.32 2wkz s THR 31 CO 0.11 0.42 -0.03 0.54 -0.69 0.00 0.00 174.62 174.98 2wkz s VAL 32 N 0.62 0.41 0.22 3.82 0.11 -0.66 -0.51 120.40 124.41 2wkz s VAL 32 Ca 0.05 -0.06 0.11 0.00 -2.93 0.00 0.00 61.98 59.14 2wkz s VAL 32 Cb -0.13 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2wkz s VAL 32 CO 0.01 0.19 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.03 2wkz s LEU 33 N 0.87 2.65 0.96 2.54 1.43 0.68 -1.07 118.68 126.74 2wkz s LEU 33 Ca -0.11 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 2wkz s LEU 33 Cb -0.14 -1.30 0.17 0.00 0.03 0.00 0.00 46.19 44.95 2wkz s LEU 33 CO -0.00 0.09 1.10 -1.83 0.23 0.00 0.00 176.35 175.94 2wkz s GLU 34 N -2.98 0.65 0.04 1.70 -1.05 -1.26 -1.57 118.70 114.23 2wkz s GLU 34 Ca 0.25 1.24 -0.38 0.00 -0.15 0.00 0.00 54.97 55.92 2wkz s GLU 34 Cb -0.07 -1.71 -0.18 0.00 -0.44 0.00 0.00 34.13 31.73 2wkz s GLU 34 CO 0.13 -2.78 1.20 0.39 0.95 0.00 0.00 175.26 175.14 2wkz n GLU 35 N -4.31 0.54 -3.66 -4.83 -0.58 -1.23 -4.57 120.64 102.00 2wkz n GLU 35 Ca 0.09 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 2wkz n GLU 35 Cb 0.53 -1.76 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 2wkz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wkz s MET 36 N 0.22 1.00 -0.08 3.49 0.23 -1.26 -5.04 119.30 117.87 2wkz s MET 36 Ca 0.88 -0.50 -0.10 0.00 -1.03 0.00 0.00 55.69 54.94 2wkz s MET 36 Cb -1.12 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 32.51 2wkz s MET 36 CO 0.52 -0.45 0.23 0.45 -2.03 0.00 0.00 175.02 173.74 2wkz s SER 37 N -2.78 6.53 0.04 -1.18 0.15 -1.26 -5.03 113.70 110.17 2wkz s SER 37 Ca 0.10 0.64 0.02 0.00 0.70 0.00 0.00 55.95 57.41 2wkz s SER 37 Cb -0.01 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.15 2wkz s SER 37 CO -0.02 0.38 -0.07 -0.76 1.20 0.00 0.00 173.24 173.96 2wkz s LEU 38 N -1.08 2.23 0.62 3.45 1.43 -1.26 -4.92 118.68 119.15 2wkz s LEU 38 Ca 0.18 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 2wkz s LEU 38 Cb -0.14 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 2wkz s LEU 38 CO 0.08 -0.17 1.04 -2.84 0.23 0.00 0.00 176.35 174.69 2wkz s PRO 39 N -1.40 3.33 0.37 1.29 0.02 -1.26 -4.96 135.00 132.39 2wkz s PRO 39 Ca -0.09 1.01 0.00 0.00 0.02 0.00 0.00 61.00 61.94 2wkz s PRO 39 Cb -0.09 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2wkz s PRO 39 CO 0.00 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 2wkz n GLY 40 N -1.70 -2.40 3.88 0.52 0.00 -1.26 -4.94 105.19 99.30 2wkz n GLY 40 Ca 0.08 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2wkz n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkz s ARG 41 N -0.39 3.60 0.09 1.61 0.52 -1.26 -5.09 118.95 118.03 2wkz s ARG 41 Ca 0.00 0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 55.70 2wkz s ARG 41 Cb 0.00 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2wkz s ARG 41 CO 0.00 -0.42 0.18 1.67 0.02 0.00 0.00 175.30 176.75 2wkz s TRP 42 N -2.99 0.21 0.06 -0.53 1.48 -1.26 -4.42 118.94 111.50 2wkz s TRP 42 Ca 0.53 -0.64 0.03 0.00 -1.06 0.00 0.00 56.10 54.96 2wkz s TRP 42 Cb -0.11 -0.09 -0.03 0.00 -1.16 0.00 0.00 33.47 32.09 2wkz s TRP 42 CO 0.49 -0.55 -0.10 0.15 -4.06 0.00 0.00 176.95 172.89 2wkz s LYS 43 N -3.88 0.69 0.47 3.25 1.02 -0.86 -4.91 119.74 115.53 2wkz s LYS 43 Ca 0.06 -0.93 -0.21 0.00 0.02 0.00 0.00 55.97 54.92 2wkz s LYS 43 Cb 0.05 -0.49 -0.09 0.00 -0.52 0.00 0.00 37.83 36.78 2wkz s LYS 43 CO -0.10 0.09 1.03 -2.14 -0.92 0.00 0.00 175.35 173.31 2wkz s PRO 44 N -2.00 3.87 -0.03 -1.68 0.02 -1.26 0.03 135.00 133.95 2wkz s PRO 44 Ca -0.03 1.34 -0.15 0.00 0.02 0.00 0.00 61.00 62.18 2wkz s PRO 44 Cb -0.08 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.34 2wkz s PRO 44 CO 0.01 -0.37 0.33 0.21 -0.33 0.00 0.00 177.00 176.84 2wkz s LYS 45 N -3.19 0.66 -0.18 5.54 2.20 -0.76 -4.85 119.74 119.15 2wkz s LYS 45 Ca 0.66 -0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 56.14 2wkz s LYS 45 Cb -0.16 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2wkz s LYS 45 CO 0.19 -0.18 -0.08 1.41 -0.36 0.00 0.00 175.35 176.34 2wkz s MET 46 N -1.18 3.39 0.03 4.03 -2.45 -1.26 -0.98 119.30 120.88 2wkz s MET 46 Ca -0.12 -0.64 0.08 0.00 -1.25 0.00 0.00 55.69 53.76 2wkz s MET 46 Cb -0.05 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.14 2wkz s MET 46 CO 0.04 -0.03 -0.25 0.96 1.05 0.00 0.00 175.02 176.79 2wkz s ILE 47 N 1.02 2.26 0.10 10.11 -4.36 -0.69 -4.95 121.20 124.70 2wkz s ILE 47 Ca -0.00 -1.28 0.10 0.00 -0.26 0.00 0.00 60.65 59.21 2wkz s ILE 47 Cb -0.15 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 2wkz s ILE 47 CO -0.01 0.41 -0.27 -0.83 0.24 0.00 0.00 174.94 174.49 2wkz s GLY 48 N -1.13 1.52 0.00 6.27 0.00 -1.26 -1.40 107.32 111.31 2wkz s GLY 48 Ca 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.44 2wkz s GLY 48 CO 0.02 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.38 2wkz n GLY 49 N 1.20 4.31 3.72 0.20 0.00 -0.23 -4.98 105.19 109.42 2wkz n GLY 49 Ca -0.18 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2wkz n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wkz s ILE 50 N -1.26 2.88 0.00 -0.61 -1.09 -1.26 -1.96 121.20 117.90 2wkz s ILE 50 Ca 0.00 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 2wkz s ILE 50 Cb 0.00 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 2wkz s ILE 50 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 2wkz n GLY 51 N 3.26 1.37 0.00 6.18 0.00 -1.26 -4.96 105.19 109.78 2wkz n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wkz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wkz n GLY 52 N -2.00 0.32 3.77 -0.02 0.00 -0.83 -5.07 105.19 101.36 2wkz n GLY 52 Ca 0.00 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 2wkz n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wkz s PHE 53 N 0.00 3.07 0.05 1.61 0.40 -1.26 -1.06 117.98 120.79 2wkz s PHE 53 Ca 0.00 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.32 2wkz s PHE 53 Cb 0.00 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2wkz s PHE 53 CO 0.00 0.52 -0.11 0.96 0.70 0.00 0.00 175.22 177.29 2wkz s ILE 54 N -1.76 0.83 -0.07 0.64 -4.36 -0.49 -4.96 121.20 111.03 2wkz s ILE 54 Ca 0.30 -1.17 -0.16 0.00 -0.26 0.00 0.00 60.65 59.36 2wkz s ILE 54 Cb -0.10 -0.84 -0.05 0.00 1.25 0.00 0.00 42.46 42.72 2wkz s ILE 54 CO 0.22 -0.29 0.42 -0.75 0.24 0.00 0.00 174.94 174.79 2wkz s LYS 55 N -1.61 4.13 0.24 0.37 2.20 -1.26 -1.70 119.74 122.11 2wkz s LYS 55 Ca -0.06 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 2wkz s LYS 55 Cb -0.10 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2wkz s LYS 55 CO 0.01 0.42 0.09 0.14 -0.36 0.00 0.00 175.35 175.65 2wkz s VAL 56 N -0.22 0.53 -0.16 4.02 -7.23 -0.15 -4.46 120.40 112.74 2wkz s VAL 56 Ca 0.24 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2wkz s VAL 56 Cb -0.16 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2wkz s VAL 56 CO 0.11 -0.07 0.07 -0.13 -0.31 0.00 0.00 175.10 174.77 2wkz s ARG 57 N -4.03 3.74 -0.29 4.82 0.52 0.45 -1.83 118.95 122.33 2wkz s ARG 57 Ca 0.36 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 55.15 2wkz s ARG 57 Cb 0.08 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 2wkz s ARG 57 CO 0.12 0.43 0.17 -1.14 0.02 0.00 0.00 175.30 174.90 2wkz s GLN 58 N -0.08 3.76 -0.16 3.54 0.74 0.10 -0.82 119.66 126.75 2wkz s GLN 58 Ca 0.07 -0.44 -0.02 0.00 0.05 0.00 0.00 55.36 55.02 2wkz s GLN 58 Cb -0.12 -3.60 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 2wkz s GLN 58 CO 0.01 -0.25 -0.08 0.71 -0.55 0.00 0.00 175.29 175.13 2wkz s TYR 59 N 1.71 2.91 0.28 1.67 1.51 -0.52 -2.04 117.35 122.87 2wkz s TYR 59 Ca 0.06 -0.62 0.06 0.00 -1.01 0.00 0.00 57.07 55.56 2wkz s TYR 59 Cb -0.16 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2wkz s TYR 59 CO 0.09 -0.24 0.38 -0.51 -1.11 0.00 0.00 175.55 174.15 2wkz s ASP 60 N 0.63 6.04 -1.30 2.29 -0.00 -1.26 -0.43 116.67 122.64 2wkz s ASP 60 Ca -0.05 -0.10 -0.05 0.00 -0.00 0.00 0.00 52.55 52.36 2wkz s ASP 60 Cb -0.15 -1.52 -0.00 0.00 -0.00 0.00 0.00 42.92 41.24 2wkz s ASP 60 CO 0.03 -0.22 0.62 0.00 -0.00 0.00 0.00 175.17 175.60 2wkz n GLN 61 N -1.47 -3.48 -4.03 8.23 1.13 -1.20 -4.90 117.38 111.66 2wkz n GLN 61 Ca -0.05 0.52 -0.35 0.00 -1.94 0.00 0.00 57.00 55.17 2wkz n GLN 61 Cb 0.58 -4.74 -0.09 0.00 0.11 0.00 0.00 30.24 26.10 2wkz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wkz s ILE 62 N -3.73 4.90 0.03 5.09 -1.09 0.25 -4.80 121.20 121.86 2wkz s ILE 62 Ca 0.11 -0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.27 2wkz s ILE 62 Cb -0.04 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 2wkz s ILE 62 CO 0.85 0.53 0.82 -0.22 -1.23 0.00 0.00 174.94 175.68 2wkz s LEU 63 N -0.21 4.42 0.01 2.97 2.96 -1.26 -1.49 118.68 126.07 2wkz s LEU 63 Ca 0.08 1.49 -0.06 0.00 -0.22 0.00 0.00 54.13 55.42 2wkz s LEU 63 Cb -0.12 -3.31 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 2wkz s LEU 63 CO 0.01 -0.06 0.10 -0.63 -1.32 0.00 0.00 176.35 174.45 2wkz s ILE 64 N 0.27 0.09 -0.17 6.68 1.01 -0.43 -4.51 121.20 124.14 2wkz s ILE 64 Ca 0.42 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2wkz s ILE 64 Cb -0.21 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2wkz s ILE 64 CO 0.24 -0.41 -0.20 -1.61 0.00 0.00 0.00 174.94 172.97 2wkz s GLU 65 N -1.41 2.91 -0.24 2.79 2.02 -0.62 -0.90 118.70 123.24 2wkz s GLU 65 Ca -0.15 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 2wkz s GLU 65 Cb -0.08 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.67 2wkz s GLU 65 CO 0.01 -0.19 -0.04 0.42 0.02 0.00 0.00 175.26 175.48 2wkz s ILE 66 N 1.25 3.12 -1.65 -1.63 1.01 0.54 -1.05 121.20 122.80 2wkz s ILE 66 Ca 0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 2wkz s ILE 66 Cb -0.13 -2.53 0.12 0.00 0.01 0.00 0.00 42.46 39.93 2wkz s ILE 66 CO -0.11 0.26 0.63 0.00 0.00 0.00 0.00 174.94 175.72 2wkz n GLY 68 N -1.59 1.89 3.61 0.00 0.00 -1.26 -5.04 105.19 102.79 2wkz n GLY 68 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2wkz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wkz s HIS 69 N -2.33 3.25 0.43 1.61 4.02 0.58 -5.08 115.29 117.75 2wkz s HIS 69 Ca 0.00 0.06 -0.21 0.00 1.02 0.00 0.00 55.06 55.93 2wkz s HIS 69 Cb 0.00 -2.25 -0.11 0.00 -1.02 0.00 0.00 32.58 29.21 2wkz s HIS 69 CO 0.00 -0.03 0.96 0.15 1.02 0.00 0.00 174.74 176.84 2wkz s LYS 70 N 1.15 4.22 0.22 1.40 1.02 -1.26 -0.34 119.74 126.15 2wkz s LYS 70 Ca 0.06 1.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.99 2wkz s LYS 70 Cb -0.14 -2.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.98 2wkz s LYS 70 CO 0.05 -0.04 0.79 0.00 -0.92 0.00 0.00 175.35 175.23 2wkz s ALA 71 N -2.11 -1.41 0.00 5.17 0.00 -0.08 -4.82 121.76 118.51 2wkz s ALA 71 Ca 0.61 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2wkz s ALA 71 Cb -0.11 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 2wkz s ALA 71 CO 0.15 -1.00 -0.05 0.42 0.00 0.00 0.00 175.76 175.28 2wkz s ILE 72 N -3.68 0.37 -0.82 0.00 1.01 -1.26 -1.32 121.20 115.51 2wkz s ILE 72 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2wkz s ILE 72 Cb -0.04 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.09 2wkz s ILE 72 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2wkz n GLY 73 N 2.73 -1.33 3.73 6.18 0.00 -0.55 -4.90 105.19 111.06 2wkz n GLY 73 Ca -0.14 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2wkz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wkz s THR 74 N -2.48 4.46 -0.07 2.61 2.01 -1.26 -0.58 115.64 120.33 2wkz s THR 74 Ca 0.00 2.07 0.02 0.00 0.31 0.00 0.00 61.69 64.09 2wkz s THR 74 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 2wkz s THR 74 CO 0.00 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.44 2wkz s VAL 75 N -0.08 1.20 -0.04 3.82 1.01 0.42 -4.48 120.40 122.24 2wkz s VAL 75 Ca 0.47 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 2wkz s VAL 75 Cb -0.24 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2wkz s VAL 75 CO 0.30 0.37 0.18 -0.76 0.00 0.00 0.00 175.10 175.19 2wkz s LEU 76 N 0.68 4.38 -0.09 3.92 1.43 0.33 -1.44 118.68 127.90 2wkz s LEU 76 Ca -0.14 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2wkz s LEU 76 Cb -0.16 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.63 2wkz s LEU 76 CO 0.04 0.31 -0.14 -0.69 0.23 0.00 0.00 176.35 176.09 2wkz s VAL 77 N -1.22 1.37 -0.10 -1.59 1.01 0.00 -0.23 120.40 119.64 2wkz s VAL 77 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2wkz s VAL 77 Cb -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2wkz s VAL 77 CO 0.14 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2wkz n GLY 78 N 3.97 -1.21 2.30 4.51 0.00 -0.61 -0.41 105.19 113.74 2wkz n GLY 78 Ca -0.21 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 2wkz n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wkz n PRO 79 N 0.00 1.64 -2.94 1.61 -0.04 -1.26 -3.53 135.00 130.48 2wkz n PRO 79 Ca 0.00 -0.94 -0.39 0.00 -0.04 0.00 0.00 63.50 62.13 2wkz n PRO 79 Cb 0.00 -2.04 -0.06 0.00 -0.04 0.00 0.00 33.50 31.36 2wkz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2wkz s THR 80 N 2.17 4.32 0.47 0.52 -1.32 -1.26 -4.96 115.64 115.59 2wkz s THR 80 Ca 0.44 1.74 0.18 0.00 -1.21 0.00 0.00 61.69 62.84 2wkz s THR 80 Cb 0.18 -4.14 0.23 0.00 -1.51 0.00 0.00 72.50 67.27 2wkz s THR 80 CO -0.01 0.46 2.06 -0.65 -2.21 0.00 0.00 174.62 174.27 2wkz h PRO 81 N 4.11 0.00 -3.69 7.08 0.11 -1.98 -3.43 132.00 134.20 2wkz h PRO 81 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2wkz h PRO 81 Cb 1.20 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 2wkz h PRO 81 CO 0.66 0.12 -0.41 0.54 -0.21 0.00 0.00 178.00 178.70 2wkz s VAL 82 N -4.66 0.13 0.04 3.15 0.11 -1.26 -5.09 120.40 112.82 2wkz s VAL 82 Ca -0.04 -1.04 -0.30 0.00 -2.93 0.00 0.00 61.98 57.66 2wkz s VAL 82 Cb 0.16 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 2wkz s VAL 82 CO 0.66 -0.57 1.22 0.20 -3.33 0.00 0.00 175.10 173.28 2wkz s ASN 83 N -2.37 7.04 -0.10 3.54 0.01 -1.26 -4.73 114.94 117.07 2wkz s ASN 83 Ca -0.01 2.01 0.03 0.00 -0.71 0.00 0.00 52.86 54.17 2wkz s ASN 83 Cb 0.01 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2wkz s ASN 83 CO -0.07 -0.52 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.19 2wkz s ILE 84 N 1.33 1.69 -0.37 0.60 1.01 -0.23 -0.63 121.20 124.61 2wkz s ILE 84 Ca 0.59 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 2wkz s ILE 84 Cb -0.29 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2wkz s ILE 84 CO 0.28 0.48 0.25 -0.63 0.00 0.00 0.00 174.94 175.32 2wkz s ILE 85 N 0.62 5.13 0.70 2.92 -1.09 0.44 -1.65 121.20 128.26 2wkz s ILE 85 Ca -0.14 -0.48 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 2wkz s ILE 85 Cb -0.16 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.10 2wkz s ILE 85 CO 0.04 -0.14 0.97 0.61 -1.23 0.00 0.00 174.94 175.18 2wkz n GLY 86 N 5.10 0.93 0.37 6.18 0.00 -1.17 -1.12 105.19 115.49 2wkz n GLY 86 Ca -0.12 -2.07 0.17 0.00 0.00 0.00 0.00 46.02 44.00 2wkz n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wkz h ARG 87 N 0.00 0.16 0.00 1.61 3.08 -1.05 -1.52 114.38 116.66 2wkz h ARG 87 Ca -0.32 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 2wkz h ARG 87 Cb 1.24 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 2wkz h ARG 87 CO 0.36 0.11 -0.00 -2.95 -1.07 0.00 0.00 179.97 176.42 2wkz h ASN 88 N 0.17 0.00 0.00 7.04 -1.07 -1.81 -2.27 115.58 117.64 2wkz h ASN 88 Ca 0.28 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.48 2wkz h ASN 88 Cb 0.88 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.10 2wkz h ASN 88 CO -0.04 0.00 -1.77 0.18 0.07 0.00 0.00 177.43 175.86 2wkz n LEU 89 N -3.87 0.00 -0.17 6.14 4.77 -0.77 -4.42 117.00 118.68 2wkz n LEU 89 Ca -0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2wkz n LEU 89 Cb 0.08 0.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.66 2wkz n LEU 89 CO 0.28 0.23 1.19 -0.07 -1.33 0.00 0.00 177.39 177.68 2wkz h LEU 90 N 0.00 0.79 -0.67 2.23 3.38 -1.05 -2.04 115.31 117.94 2wkz h LEU 90 Ca -0.25 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2wkz h LEU 90 Cb 1.48 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2wkz h LEU 90 CO 0.01 0.60 0.27 0.71 0.09 0.00 0.00 178.44 180.13 2wkz h THR 91 N 0.91 1.24 -0.13 0.22 1.35 -1.64 -1.37 112.91 113.49 2wkz h THR 91 Ca 0.24 -0.75 -0.01 0.00 -0.55 0.00 0.00 66.41 65.33 2wkz h THR 91 Cb -0.04 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 2wkz h THR 91 CO -0.05 0.30 0.01 1.56 -0.25 0.00 0.00 175.52 177.10 2wkz h GLN 92 N 0.95 0.18 -0.40 4.72 1.08 -1.58 -1.06 115.11 118.99 2wkz h GLN 92 Ca 0.22 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2wkz h GLN 92 Cb 0.21 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2wkz h GLN 92 CO -0.02 0.19 0.00 0.44 -0.95 0.00 0.00 178.83 178.49 2wkz n ILE 93 N -4.44 0.53 -2.26 2.54 -5.35 -1.14 -4.93 119.36 104.31 2wkz n ILE 93 Ca -0.01 -0.61 -0.09 0.00 -0.27 0.00 0.00 62.75 61.76 2wkz n ILE 93 Cb 0.14 0.46 -0.00 0.00 -1.74 0.00 0.00 39.64 38.50 2wkz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wkz n GLY 94 N 1.30 0.01 3.71 3.28 0.00 -0.40 -5.00 105.19 108.09 2wkz n GLY 94 Ca 0.17 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2wkz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkz s THR 96 N 0.85 0.84 -0.08 0.00 -4.23 -1.26 -4.67 115.64 107.10 2wkz s THR 96 Ca 0.52 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 2wkz s THR 96 Cb -0.22 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 2wkz s THR 96 CO 0.28 -0.80 0.29 -0.76 -0.54 0.00 0.00 174.62 173.10 2wkz s LEU 97 N -2.98 4.39 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.95 2wkz s LEU 97 Ca 0.12 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2wkz s LEU 97 Cb 0.03 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2wkz s LEU 97 CO -0.03 0.30 0.02 0.20 0.23 0.00 0.00 176.35 177.07 2wkz s ASN 98 N -0.72 0.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.11 2wkz s ASN 98 Ca 0.19 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 2wkz s ASN 98 Cb -0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2wkz s ASN 98 CO 0.08 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.79