#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wl0 s GLN 2 N 0.00 3.18 -0.26 0.54 0.74 -1.26 -5.09 119.66 117.51 2wl0 s GLN 2 Ca 0.00 -0.76 -0.11 0.00 0.05 0.00 0.00 55.36 54.55 2wl0 s GLN 2 Cb 0.00 -3.04 -0.05 0.00 1.10 0.00 0.00 33.01 31.02 2wl0 s GLN 2 CO 0.00 -0.29 0.18 0.42 -0.55 0.00 0.00 175.29 175.05 2wl0 s ILE 3 N 1.44 5.31 0.75 -2.34 -1.09 -1.26 -5.09 121.20 118.92 2wl0 s ILE 3 Ca 0.04 0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.52 2wl0 s ILE 3 Cb -0.15 -3.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 2wl0 s ILE 3 CO -0.03 0.29 1.11 0.42 -1.23 0.00 0.00 174.94 175.50 2wl0 s THR 4 N 1.48 2.61 -0.20 2.92 -4.23 -1.26 -5.01 115.64 111.95 2wl0 s THR 4 Ca 0.07 0.10 0.15 0.00 -1.18 0.00 0.00 61.69 60.83 2wl0 s THR 4 Cb -0.15 -3.18 0.46 0.00 1.34 0.00 0.00 72.50 70.98 2wl0 s THR 4 CO 0.08 -0.22 1.36 0.18 -0.54 0.00 0.00 174.62 175.48 2wl0 n LEU 5 N -3.11 3.54 0.14 4.79 4.77 -1.26 -4.54 117.00 121.33 2wl0 n LEU 5 Ca 0.07 -3.31 0.01 0.00 -0.03 0.00 0.00 56.01 52.75 2wl0 n LEU 5 Cb 0.60 -0.55 0.30 0.00 -2.33 0.00 0.00 43.42 41.44 2wl0 n LEU 5 CO 0.56 0.90 0.69 -0.50 -1.33 0.00 0.00 177.39 177.71 2wl0 h TRP 6 N 1.12 0.12 -2.66 -1.77 4.06 -2.05 -3.44 115.95 111.33 2wl0 h TRP 6 Ca 0.06 -0.03 -0.49 0.00 2.06 0.00 0.00 58.89 60.49 2wl0 h TRP 6 Cb 1.38 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 29.37 2wl0 h TRP 6 CO 0.56 0.48 -0.66 -0.65 -3.56 0.00 0.00 178.44 174.60 2wl0 s GLN 7 N -4.16 1.57 0.28 0.49 1.11 -1.26 -5.10 119.66 112.59 2wl0 s GLN 7 Ca -0.03 -1.81 -0.30 0.00 0.01 0.00 0.00 55.36 53.23 2wl0 s GLN 7 Cb 0.14 -1.12 -0.12 0.00 -1.01 0.00 0.00 33.01 30.91 2wl0 s GLN 7 CO 0.75 0.00 1.63 0.54 0.01 0.00 0.00 175.29 178.22 2wl0 n ARG 8 N -0.60 2.75 -2.41 2.91 1.74 -1.26 -4.85 116.66 114.94 2wl0 n ARG 8 Ca -0.05 0.98 -0.38 0.00 -0.77 0.00 0.00 57.85 57.63 2wl0 n ARG 8 Cb 0.64 -2.78 -0.02 0.00 -1.02 0.00 0.00 32.46 29.28 2wl0 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wl0 s PRO 9 N -0.28 3.48 -0.06 5.56 0.04 -1.26 -4.95 135.00 137.53 2wl0 s PRO 9 Ca 0.65 -1.68 -0.14 0.00 0.04 0.00 0.00 61.00 59.87 2wl0 s PRO 9 Cb -0.49 -5.43 -0.05 0.00 0.04 0.00 0.00 34.50 28.57 2wl0 s PRO 9 CO 0.46 -2.83 0.37 -0.51 0.04 0.00 0.00 177.00 174.54 2wl0 s LEU 10 N 6.52 4.40 0.18 -3.56 1.43 -1.26 -1.68 118.68 124.70 2wl0 s LEU 10 Ca 0.58 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 2wl0 s LEU 10 Cb 0.02 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2wl0 s LEU 10 CO 0.09 0.25 0.02 0.68 0.23 0.00 0.00 176.35 177.61 2wl0 s VAL 11 N -0.55 0.61 -0.06 -1.59 -7.23 -0.07 -4.96 120.40 106.54 2wl0 s VAL 11 Ca 0.22 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.28 2wl0 s VAL 11 Cb -0.15 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2wl0 s VAL 11 CO 0.10 -0.41 0.35 -0.89 -0.31 0.00 0.00 175.10 173.94 2wl0 s THR 12 N -3.71 5.18 0.17 5.32 2.01 -1.26 -0.71 115.64 122.65 2wl0 s THR 12 Ca 0.26 0.69 0.08 0.00 0.31 0.00 0.00 61.69 63.03 2wl0 s THR 12 Cb 0.06 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2wl0 s THR 12 CO 0.05 0.52 -0.18 0.27 -0.69 0.00 0.00 174.62 174.60 2wl0 s ILE 13 N -0.59 1.83 -0.17 1.82 -4.36 0.49 -2.85 121.20 117.36 2wl0 s ILE 13 Ca 0.21 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 2wl0 s ILE 13 Cb -0.15 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.69 2wl0 s ILE 13 CO 0.10 -0.36 -0.20 -0.75 0.24 0.00 0.00 174.94 173.96 2wl0 s LYS 14 N -2.95 3.00 -0.17 0.37 2.20 0.27 -1.77 119.74 120.68 2wl0 s LYS 14 Ca 0.17 -0.84 -0.17 0.00 -0.36 0.00 0.00 55.97 54.77 2wl0 s LYS 14 Cb -0.05 -2.54 0.05 0.00 -1.51 0.00 0.00 37.83 33.78 2wl0 s LYS 14 CO 0.07 -0.16 0.49 -1.50 -0.36 0.00 0.00 175.35 173.88 2wl0 s ILE 15 N 1.17 0.00 -1.37 5.43 2.07 -0.16 -1.53 121.20 126.82 2wl0 s ILE 15 Ca 0.02 -0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.23 2wl0 s ILE 15 Cb -0.14 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.78 2wl0 s ILE 15 CO -0.10 -0.01 0.16 0.61 -1.91 0.00 0.00 174.94 173.68 2wl0 n GLY 16 N 2.72 -0.50 2.43 1.50 0.00 -1.26 0.06 105.19 110.14 2wl0 n GLY 16 Ca -0.14 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 2wl0 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wl0 n GLY 17 N -1.02 0.37 3.58 -0.02 0.00 -1.26 -4.99 105.19 101.84 2wl0 n GLY 17 Ca -0.15 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 2wl0 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wl0 s GLN 18 N -1.12 2.09 -0.17 1.61 -0.21 0.11 -5.12 119.66 116.84 2wl0 s GLN 18 Ca 0.00 -1.41 -0.02 0.00 0.02 0.00 0.00 55.36 53.94 2wl0 s GLN 18 Cb 0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.90 2wl0 s GLN 18 CO 0.00 0.39 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.98 2wl0 s LEU 19 N -3.27 2.92 0.06 2.90 1.43 -1.26 -0.99 118.68 120.47 2wl0 s LEU 19 Ca 0.28 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2wl0 s LEU 19 Cb -0.07 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2wl0 s LEU 19 CO 0.17 0.09 -0.04 -0.54 0.23 0.00 0.00 176.35 176.27 2wl0 s LYS 20 N 0.80 0.65 -0.14 1.70 1.02 -0.73 -4.98 119.74 118.05 2wl0 s LYS 20 Ca -0.03 -1.23 -0.11 0.00 0.02 0.00 0.00 55.97 54.63 2wl0 s LYS 20 Cb -0.15 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.24 2wl0 s LYS 20 CO 0.01 -0.09 0.21 -2.00 -0.92 0.00 0.00 175.35 172.57 2wl0 s GLU 21 N -3.84 3.97 0.07 1.68 2.12 -1.26 -0.38 118.70 121.06 2wl0 s GLU 21 Ca 0.07 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2wl0 s GLU 21 Cb 0.07 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2wl0 s GLU 21 CO -0.09 0.46 -0.05 0.00 -0.54 0.00 0.00 175.26 175.04 2wl0 s ALA 22 N -0.15 0.73 -0.23 6.30 0.00 0.11 -4.61 121.76 123.92 2wl0 s ALA 22 Ca 0.14 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 2wl0 s ALA 22 Cb -0.13 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2wl0 s ALA 22 CO 0.03 -0.30 0.12 -1.17 0.00 0.00 0.00 175.76 174.44 2wl0 s LEU 23 N -2.95 3.95 -0.43 0.00 2.96 -0.34 -0.89 118.68 120.98 2wl0 s LEU 23 Ca 0.09 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.78 2wl0 s LEU 23 Cb 0.06 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.71 2wl0 s LEU 23 CO -0.07 0.08 1.53 -0.76 -1.32 0.00 0.00 176.35 175.81 2wl0 s LEU 24 N 0.94 3.52 -0.41 -0.68 1.43 -0.68 -0.60 118.68 122.19 2wl0 s LEU 24 Ca 0.06 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2wl0 s LEU 24 Cb -0.13 -3.39 0.11 0.00 0.03 0.00 0.00 46.19 42.81 2wl0 s LEU 24 CO 0.03 -1.61 0.16 -0.62 0.23 0.00 0.00 176.35 174.54 2wl0 s ASP 25 N 4.80 4.84 0.30 2.29 -1.08 -0.36 -4.80 116.67 122.67 2wl0 s ASP 25 Ca 0.65 -2.34 0.24 0.00 -0.52 0.00 0.00 52.55 50.58 2wl0 s ASP 25 Cb -0.15 -1.70 1.09 0.00 -1.46 0.00 0.00 42.92 40.70 2wl0 s ASP 25 CO 0.31 -0.39 1.73 0.71 0.52 0.00 0.00 175.17 178.04 2wl0 h THR 26 N 6.24 0.00 -0.01 1.71 1.35 -1.93 -1.62 112.91 118.65 2wl0 h THR 26 Ca -0.07 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2wl0 h THR 26 Cb 1.00 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2wl0 h THR 26 CO 0.61 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.43 2wl0 n GLY 27 N -0.41 -0.03 3.59 5.82 0.00 -1.26 -4.83 105.19 108.07 2wl0 n GLY 27 Ca 0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2wl0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wl0 s ALA 28 N -2.11 3.46 0.16 4.61 0.00 -0.61 -4.98 121.76 122.29 2wl0 s ALA 28 Ca 0.34 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2wl0 s ALA 28 Cb 0.20 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 21.10 2wl0 s ALA 28 CO 0.37 -0.29 1.59 -0.44 0.00 0.00 0.00 175.76 177.00 2wl0 h ASP 29 N 7.75 0.93 -0.59 0.00 5.19 -1.88 0.16 116.42 127.98 2wl0 h ASP 29 Ca -0.37 -0.33 -0.66 0.00 -0.62 0.00 0.00 57.03 55.05 2wl0 h ASP 29 Cb 1.18 -0.25 -0.12 0.00 0.18 0.00 0.00 39.33 40.31 2wl0 h ASP 29 CO 0.62 1.04 -0.50 -1.81 -3.12 0.00 0.00 179.24 175.47 2wl0 s ASP 30 N -6.49 4.16 -0.19 6.45 1.01 -1.26 -3.32 116.67 117.02 2wl0 s ASP 30 Ca -0.12 -1.56 -0.04 0.00 0.71 0.00 0.00 52.55 51.54 2wl0 s ASP 30 Cb 0.12 0.36 -0.02 0.00 1.01 0.00 0.00 42.92 44.39 2wl0 s ASP 30 CO 0.84 -0.81 -0.03 -0.89 0.21 0.00 0.00 175.17 174.49 2wl0 s THR 31 N -2.84 3.72 -0.05 -1.27 2.01 -1.26 -2.57 115.64 113.38 2wl0 s THR 31 Ca 0.14 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2wl0 s THR 31 Cb 0.02 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.89 2wl0 s THR 31 CO 0.07 0.44 -0.06 0.54 -0.69 0.00 0.00 174.62 174.93 2wl0 s VAL 32 N 0.97 0.68 0.23 3.82 0.11 -0.52 -0.39 120.40 125.30 2wl0 s VAL 32 Ca 0.01 -0.20 0.10 0.00 -2.93 0.00 0.00 61.98 58.96 2wl0 s VAL 32 Cb -0.14 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 2wl0 s VAL 32 CO 0.01 0.26 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.18 2wl0 s LEU 33 N 0.94 2.90 1.04 2.54 1.43 0.62 -0.97 118.68 127.19 2wl0 s LEU 33 Ca -0.10 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.16 2wl0 s LEU 33 Cb -0.14 -1.51 0.21 0.00 0.03 0.00 0.00 46.19 44.78 2wl0 s LEU 33 CO 0.00 0.06 1.07 -1.61 0.23 0.00 0.00 176.35 176.11 2wl0 s GLU 34 N -3.20 0.11 -0.09 1.70 2.02 -1.26 -1.88 118.70 116.10 2wl0 s GLU 34 Ca 0.27 0.94 -0.39 0.00 0.02 0.00 0.00 54.97 55.81 2wl0 s GLU 34 Cb -0.07 -1.67 -0.17 0.00 0.10 0.00 0.00 34.13 32.32 2wl0 s GLU 34 CO 0.16 -3.06 1.42 0.39 0.02 0.00 0.00 175.26 174.19 2wl0 n GLU 35 N -4.46 0.82 -3.73 1.61 -0.58 -1.22 -4.57 120.64 108.51 2wl0 n GLU 35 Ca 0.06 0.30 -0.07 0.00 -0.42 0.00 0.00 57.16 57.03 2wl0 n GLU 35 Cb 0.54 -1.91 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 2wl0 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wl0 s MET 36 N 1.46 1.47 -0.10 3.49 0.23 -1.26 -5.05 119.30 119.54 2wl0 s MET 36 Ca 0.91 -0.76 -0.10 0.00 -1.03 0.00 0.00 55.69 54.72 2wl0 s MET 36 Cb -1.10 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 32.69 2wl0 s MET 36 CO 0.57 -0.67 0.22 0.45 -2.03 0.00 0.00 175.02 173.56 2wl0 s SER 37 N -2.86 6.49 0.00 -1.18 0.15 -1.26 -5.03 113.70 110.01 2wl0 s SER 37 Ca 0.09 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.33 2wl0 s SER 37 Cb -0.04 -2.12 -0.01 0.00 -1.71 0.00 0.00 66.02 62.15 2wl0 s SER 37 CO 0.01 0.36 -0.03 -0.76 1.20 0.00 0.00 173.24 174.02 2wl0 s LEU 38 N -0.86 2.05 0.61 3.45 1.43 -1.26 -4.90 118.68 119.20 2wl0 s LEU 38 Ca 0.17 -0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 2wl0 s LEU 38 Cb -0.13 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 2wl0 s LEU 38 CO 0.06 -0.03 1.03 -2.16 0.23 0.00 0.00 176.35 175.49 2wl0 s PRO 39 N -0.35 3.43 0.07 1.29 0.04 -1.26 -4.96 135.00 133.26 2wl0 s PRO 39 Ca -0.02 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2wl0 s PRO 39 Cb -0.03 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2wl0 s PRO 39 CO -0.00 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2wl0 n GLY 40 N -1.78 -3.26 3.88 0.56 0.00 -1.26 -4.97 105.19 98.36 2wl0 n GLY 40 Ca 0.07 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2wl0 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wl0 s ARG 41 N -0.69 3.60 0.19 1.61 3.03 -1.26 -5.09 118.95 120.33 2wl0 s ARG 41 Ca 0.00 0.60 -0.12 0.00 2.03 0.00 0.00 55.73 58.24 2wl0 s ARG 41 Cb 0.00 -2.17 0.00 0.00 -1.03 0.00 0.00 34.95 31.75 2wl0 s ARG 41 CO 0.00 -0.45 0.38 1.67 -1.13 0.00 0.00 175.30 175.78 2wl0 s TRP 42 N -3.02 0.26 -0.00 5.89 1.48 -1.26 -4.45 118.94 117.83 2wl0 s TRP 42 Ca 0.53 -0.61 -0.05 0.00 -1.06 0.00 0.00 56.10 54.90 2wl0 s TRP 42 Cb -0.11 0.11 -0.00 0.00 -1.16 0.00 0.00 33.47 32.31 2wl0 s TRP 42 CO 0.50 -0.82 0.11 -1.59 -4.06 0.00 0.00 176.95 171.08 2wl0 s LYS 43 N -3.95 0.39 0.60 3.25 -2.85 -1.02 -4.92 119.74 111.24 2wl0 s LYS 43 Ca 0.16 -0.33 -0.17 0.00 -1.00 0.00 0.00 55.97 54.62 2wl0 s LYS 43 Cb 0.01 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2wl0 s LYS 43 CO 0.01 -0.09 1.12 -1.25 0.10 0.00 0.00 175.35 175.25 2wl0 s PRO 44 N -1.14 3.08 -0.09 1.78 0.04 -1.26 -0.36 135.00 137.05 2wl0 s PRO 44 Ca -0.12 1.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 2wl0 s PRO 44 Cb -0.07 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.54 2wl0 s PRO 44 CO 0.01 -1.05 0.49 0.21 0.04 0.00 0.00 177.00 176.70 2wl0 s LYS 45 N -3.66 0.75 -0.23 4.56 2.20 -0.75 -4.84 119.74 117.77 2wl0 s LYS 45 Ca 0.70 0.27 -0.05 0.00 -0.36 0.00 0.00 55.97 56.53 2wl0 s LYS 45 Cb -0.23 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2wl0 s LYS 45 CO 0.34 -0.18 0.00 -1.64 -0.36 0.00 0.00 175.35 173.51 2wl0 s MET 46 N -0.70 3.52 0.02 4.03 -1.94 -1.26 -1.10 119.30 121.87 2wl0 s MET 46 Ca -0.08 -0.55 0.07 0.00 -1.71 0.00 0.00 55.69 53.42 2wl0 s MET 46 Cb -0.03 -3.13 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 2wl0 s MET 46 CO 0.05 -0.16 -0.19 0.96 -0.01 0.00 0.00 175.02 175.67 2wl0 s ILE 47 N 1.44 2.67 0.10 2.53 -0.00 -0.90 -4.95 121.20 122.09 2wl0 s ILE 47 Ca 0.05 -1.15 0.10 0.00 -0.00 0.00 0.00 60.65 59.66 2wl0 s ILE 47 Cb -0.15 -2.09 -0.04 0.00 -0.00 0.00 0.00 42.46 40.19 2wl0 s ILE 47 CO 0.00 0.40 -0.25 -0.83 -0.00 0.00 0.00 174.94 174.25 2wl0 s GLY 48 N -1.25 1.54 0.00 6.27 0.00 -1.26 -1.57 107.32 111.05 2wl0 s GLY 48 Ca 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2wl0 s GLY 48 CO 0.04 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.42 2wl0 n GLY 49 N 1.18 3.63 3.67 0.20 0.00 -0.50 -4.98 105.19 108.39 2wl0 n GLY 49 Ca -0.17 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2wl0 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wl0 s ILE 50 N -2.25 3.11 0.00 -0.61 -1.09 -1.26 -1.73 121.20 117.37 2wl0 s ILE 50 Ca 0.00 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2wl0 s ILE 50 Cb 0.00 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2wl0 s ILE 50 CO 0.00 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 2wl0 n GLY 51 N 4.32 2.06 0.00 6.18 0.00 -1.26 -5.01 105.19 111.48 2wl0 n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wl0 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wl0 n GLY 52 N -0.84 0.54 3.77 -0.02 0.00 -0.70 -5.07 105.19 102.87 2wl0 n GLY 52 Ca 0.00 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 2wl0 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wl0 s PHE 53 N -0.11 3.10 0.11 1.61 0.40 -1.26 -1.41 117.98 120.43 2wl0 s PHE 53 Ca 0.00 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 2wl0 s PHE 53 Cb 0.00 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 2wl0 s PHE 53 CO 0.00 0.52 -0.11 0.96 0.70 0.00 0.00 175.22 177.28 2wl0 s ILE 54 N -1.70 1.10 -0.15 0.64 -4.36 -0.61 -4.97 121.20 111.16 2wl0 s ILE 54 Ca 0.30 -1.71 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 2wl0 s ILE 54 Cb -0.10 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 2wl0 s ILE 54 CO 0.22 -0.53 0.27 -0.75 0.24 0.00 0.00 174.94 174.40 2wl0 s LYS 55 N -2.84 4.16 0.25 0.37 2.20 -1.26 -2.11 119.74 120.51 2wl0 s LYS 55 Ca 0.08 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.78 2wl0 s LYS 55 Cb -0.03 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2wl0 s LYS 55 CO 0.01 0.32 0.05 0.14 -0.36 0.00 0.00 175.35 175.51 2wl0 s VAL 56 N 0.22 0.83 -0.18 4.02 -7.23 -0.26 -4.37 120.40 113.43 2wl0 s VAL 56 Ca 0.16 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 2wl0 s VAL 56 Cb -0.13 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2wl0 s VAL 56 CO 0.04 -0.16 0.11 -0.13 -0.31 0.00 0.00 175.10 174.64 2wl0 s ARG 57 N -3.94 3.95 -0.35 4.82 0.52 0.11 -1.82 118.95 122.24 2wl0 s ARG 57 Ca 0.33 -0.24 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 2wl0 s ARG 57 Cb 0.07 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 2wl0 s ARG 57 CO 0.11 0.40 0.23 -1.14 0.02 0.00 0.00 175.30 174.91 2wl0 s GLN 58 N 0.06 3.28 -0.16 3.54 0.74 0.51 -0.86 119.66 126.77 2wl0 s GLN 58 Ca 0.08 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 54.67 2wl0 s GLN 58 Cb -0.12 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 2wl0 s GLN 58 CO -0.00 -0.52 -0.03 0.71 -0.55 0.00 0.00 175.29 174.90 2wl0 s TYR 59 N 1.67 3.04 0.31 1.67 1.51 -0.69 -2.44 117.35 122.42 2wl0 s TYR 59 Ca 0.05 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 2wl0 s TYR 59 Cb -0.18 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2wl0 s TYR 59 CO 0.09 -0.05 0.33 -0.51 -1.11 0.00 0.00 175.55 174.30 2wl0 s ASP 60 N 0.43 5.64 -1.23 2.29 1.01 -1.26 -0.65 116.67 122.90 2wl0 s ASP 60 Ca -0.03 -0.30 -0.15 0.00 0.71 0.00 0.00 52.55 52.78 2wl0 s ASP 60 Cb -0.14 -1.22 -0.00 0.00 1.01 0.00 0.00 42.92 42.57 2wl0 s ASP 60 CO 0.03 -0.29 0.67 0.00 0.21 0.00 0.00 175.17 175.79 2wl0 n GLN 61 N -1.42 -1.91 -3.78 8.23 6.02 -1.16 -4.90 117.38 118.46 2wl0 n GLN 61 Ca -0.03 0.42 -0.36 0.00 -0.01 0.00 0.00 57.00 57.02 2wl0 n GLN 61 Cb 0.59 -4.18 -0.13 0.00 1.02 0.00 0.00 30.24 27.54 2wl0 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wl0 s ILE 62 N -3.62 4.16 0.27 5.09 -1.09 0.11 -4.81 121.20 121.31 2wl0 s ILE 62 Ca 0.32 -0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 58.22 2wl0 s ILE 62 Cb -0.12 -2.94 -0.10 0.00 -1.58 0.00 0.00 42.46 37.72 2wl0 s ILE 62 CO 0.87 0.35 1.39 -2.84 -1.23 0.00 0.00 174.94 173.49 2wl0 s PRO 63 N 1.58 4.30 0.02 2.79 0.02 -1.26 -2.38 135.00 140.08 2wl0 s PRO 63 Ca 0.06 2.26 -0.09 0.00 0.02 0.00 0.00 61.00 63.25 2wl0 s PRO 63 Cb -0.15 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2wl0 s PRO 63 CO 0.02 -0.34 0.18 -1.50 -0.33 0.00 0.00 177.00 175.03 2wl0 s ILE 64 N -0.32 0.10 -0.07 2.83 -1.16 -0.06 -4.50 121.20 118.02 2wl0 s ILE 64 Ca 0.56 -0.82 0.01 0.00 -0.51 0.00 0.00 60.65 59.89 2wl0 s ILE 64 Cb -0.41 -0.75 0.02 0.00 0.61 0.00 0.00 42.46 41.93 2wl0 s ILE 64 CO 0.46 -0.45 -0.07 -0.70 -2.81 0.00 0.00 174.94 171.37 2wl0 s GLU 65 N -2.13 1.22 -0.17 3.50 2.12 -0.58 -0.79 118.70 121.87 2wl0 s GLU 65 Ca -0.09 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.06 2wl0 s GLU 65 Cb -0.03 -1.22 0.02 0.00 0.26 0.00 0.00 34.13 33.16 2wl0 s GLU 65 CO -0.02 -0.14 -0.17 0.42 -0.54 0.00 0.00 175.26 174.81 2wl0 s ILE 66 N 1.24 1.83 -1.63 -3.70 1.01 0.54 -0.56 121.20 119.93 2wl0 s ILE 66 Ca -0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2wl0 s ILE 66 Cb -0.14 -1.69 0.13 0.00 0.01 0.00 0.00 42.46 40.76 2wl0 s ILE 66 CO -0.02 0.48 0.86 0.00 0.00 0.00 0.00 174.94 176.27 2wl0 n GLY 68 N -1.53 1.97 3.59 0.00 0.00 -1.26 -5.01 105.19 102.95 2wl0 n GLY 68 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2wl0 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wl0 s HIS 69 N -2.85 3.24 0.43 1.61 4.02 0.85 -5.07 115.29 117.52 2wl0 s HIS 69 Ca 0.00 0.34 -0.19 0.00 1.02 0.00 0.00 55.06 56.23 2wl0 s HIS 69 Cb 0.00 -2.61 -0.10 0.00 -1.02 0.00 0.00 32.58 28.85 2wl0 s HIS 69 CO 0.00 -0.28 0.93 0.15 1.02 0.00 0.00 174.74 176.56 2wl0 s LYS 70 N 2.09 4.14 0.22 1.40 1.02 -1.26 -0.34 119.74 127.00 2wl0 s LYS 70 Ca 0.15 1.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.94 2wl0 s LYS 70 Cb -0.16 -2.20 0.05 0.00 -0.52 0.00 0.00 37.83 35.00 2wl0 s LYS 70 CO 0.10 -0.05 0.90 0.00 -0.92 0.00 0.00 175.35 175.37 2wl0 s ALA 71 N -2.25 -1.43 -0.03 5.17 0.00 0.03 -4.81 121.76 118.44 2wl0 s ALA 71 Ca 0.60 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2wl0 s ALA 71 Cb -0.09 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.75 2wl0 s ALA 71 CO 0.17 -1.04 0.18 -1.50 0.00 0.00 0.00 175.76 173.57 2wl0 s ILE 72 N -3.15 0.04 -1.42 0.00 2.07 -1.26 -0.88 121.20 116.61 2wl0 s ILE 72 Ca 0.14 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 2wl0 s ILE 72 Cb -0.03 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.19 2wl0 s ILE 72 CO 0.05 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 2wl0 n GLY 73 N 2.17 -1.16 3.73 1.50 0.00 -1.00 -4.88 105.19 105.54 2wl0 n GLY 73 Ca -0.18 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2wl0 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wl0 s THR 74 N -3.00 4.68 -0.10 2.61 2.01 -1.26 -0.71 115.64 119.87 2wl0 s THR 74 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 2wl0 s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2wl0 s THR 74 CO 0.00 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 2wl0 s VAL 75 N 0.31 1.56 -0.01 3.82 1.01 0.18 -4.49 120.40 122.77 2wl0 s VAL 75 Ca 0.46 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2wl0 s VAL 75 Cb -0.22 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2wl0 s VAL 75 CO 0.27 0.45 0.27 -0.76 0.00 0.00 0.00 175.10 175.33 2wl0 s LEU 76 N 0.75 4.38 -0.10 3.92 1.43 0.48 -1.70 118.68 127.85 2wl0 s LEU 76 Ca -0.11 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2wl0 s LEU 76 Cb -0.16 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.51 2wl0 s LEU 76 CO 0.02 0.28 -0.09 -0.69 0.23 0.00 0.00 176.35 176.10 2wl0 s VAL 77 N -1.24 1.07 0.00 -1.59 1.01 -0.04 -0.28 120.40 119.34 2wl0 s VAL 77 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2wl0 s VAL 77 Cb -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2wl0 s VAL 77 CO 0.14 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2wl0 n GLY 78 N 4.53 0.89 2.17 4.51 0.00 -0.79 0.09 105.19 116.60 2wl0 n GLY 78 Ca -0.16 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 2wl0 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wl0 n PRO 79 N 0.00 1.51 -2.75 1.61 -0.04 -1.26 -3.42 135.00 130.65 2wl0 n PRO 79 Ca 0.00 -0.79 -0.40 0.00 -0.04 0.00 0.00 63.50 62.27 2wl0 n PRO 79 Cb 0.00 -1.91 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 2wl0 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2wl0 s THR 80 N 1.68 4.25 -0.46 0.52 -1.32 -1.26 -4.93 115.64 114.11 2wl0 s THR 80 Ca 0.48 2.08 0.19 0.00 -1.21 0.00 0.00 61.69 63.22 2wl0 s THR 80 Cb 0.22 -4.32 0.19 0.00 -1.51 0.00 0.00 72.50 67.07 2wl0 s THR 80 CO -0.00 0.43 1.57 -0.81 -2.21 0.00 0.00 174.62 173.59 2wl0 n PRO 81 N 2.01 0.13 -3.48 7.08 -0.04 -1.26 -4.69 135.00 134.75 2wl0 n PRO 81 Ca -0.00 0.52 -0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2wl0 n PRO 81 Cb 0.48 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 2wl0 n PRO 81 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2wl0 s THR 82 N -3.36 0.00 -0.01 0.52 -1.32 -1.26 -5.11 115.64 105.10 2wl0 s THR 82 Ca 0.01 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.19 2wl0 s THR 82 Cb 0.07 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.01 2wl0 s THR 82 CO 0.23 0.00 1.25 0.20 -2.21 0.00 0.00 174.62 174.10 2wl0 s ASN 83 N -2.16 7.00 -0.07 8.08 0.01 -1.26 -4.72 114.94 121.82 2wl0 s ASN 83 Ca -0.02 1.95 0.04 0.00 -0.71 0.00 0.00 52.86 54.12 2wl0 s ASN 83 Cb -0.01 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2wl0 s ASN 83 CO -0.05 -0.59 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.07 2wl0 s VAL 84 N 1.94 1.68 -0.35 1.60 1.01 -0.14 -1.19 120.40 124.94 2wl0 s VAL 84 Ca 0.59 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2wl0 s VAL 84 Cb -0.28 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.65 2wl0 s VAL 84 CO 0.25 0.47 0.20 -0.63 0.00 0.00 0.00 175.10 175.40 2wl0 s ILE 85 N 0.31 4.72 0.42 2.22 1.01 0.23 -1.44 121.20 128.67 2wl0 s ILE 85 Ca -0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 2wl0 s ILE 85 Cb -0.16 -3.54 0.09 0.00 0.01 0.00 0.00 42.46 38.86 2wl0 s ILE 85 CO 0.06 -0.12 0.57 0.61 0.00 0.00 0.00 174.94 176.06 2wl0 n GLY 86 N 5.02 0.28 0.26 6.18 0.00 -1.06 -1.23 105.19 114.64 2wl0 n GLY 86 Ca -0.12 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.03 2wl0 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wl0 h ARG 87 N 0.00 0.11 -0.06 1.61 3.08 -0.76 -1.89 114.38 116.46 2wl0 h ARG 87 Ca -0.19 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.87 2wl0 h ARG 87 Cb 0.65 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 2wl0 h ARG 87 CO 0.18 0.11 0.10 -2.95 -1.07 0.00 0.00 179.97 176.34 2wl0 h ASN 88 N 0.11 0.00 0.00 7.04 -1.07 -1.81 -2.13 115.58 117.72 2wl0 h ASN 88 Ca 0.03 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.19 2wl0 h ASN 88 Cb 0.06 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.27 2wl0 h ASN 88 CO -0.00 0.00 -1.77 0.18 0.07 0.00 0.00 177.43 175.91 2wl0 n LEU 89 N -3.55 0.27 -0.20 6.14 4.77 -1.00 -4.48 117.00 118.95 2wl0 n LEU 89 Ca -0.01 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 2wl0 n LEU 89 Cb 0.19 0.20 0.28 0.00 -2.33 0.00 0.00 43.42 41.76 2wl0 n LEU 89 CO 0.24 0.32 1.23 -0.07 -1.33 0.00 0.00 177.39 177.78 2wl0 h LEU 90 N 0.00 0.79 -0.72 2.23 3.38 -1.04 -2.12 115.31 117.84 2wl0 h LEU 90 Ca -0.30 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2wl0 h LEU 90 Cb 1.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 2wl0 h LEU 90 CO 0.01 0.56 0.27 0.71 0.09 0.00 0.00 178.44 180.07 2wl0 h THR 91 N 0.92 1.25 -0.05 0.22 1.35 -1.63 -1.48 112.91 113.50 2wl0 h THR 91 Ca 0.28 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 2wl0 h THR 91 Cb -0.01 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 66.84 2wl0 h THR 91 CO -0.07 0.33 -0.12 1.56 -0.25 0.00 0.00 175.52 176.96 2wl0 h GLN 92 N 1.04 0.07 -0.47 4.72 1.08 -1.61 -1.61 115.11 118.33 2wl0 h GLN 92 Ca 0.24 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2wl0 h GLN 92 Cb 0.24 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2wl0 h GLN 92 CO -0.02 0.20 0.00 0.44 -0.95 0.00 0.00 178.83 178.50 2wl0 n ILE 93 N -4.36 0.62 -2.56 2.54 -5.35 -1.12 -4.93 119.36 104.20 2wl0 n ILE 93 Ca -0.02 -0.67 -0.12 0.00 -0.27 0.00 0.00 62.75 61.67 2wl0 n ILE 93 Cb 0.21 0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.58 2wl0 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wl0 n GLY 94 N 1.35 -0.00 3.73 3.28 0.00 -0.61 -5.01 105.19 107.93 2wl0 n GLY 94 Ca 0.18 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 2wl0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wl0 s THR 96 N 0.39 0.50 -0.04 0.00 -4.23 -1.26 -4.66 115.64 106.33 2wl0 s THR 96 Ca 0.42 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 2wl0 s THR 96 Cb -0.20 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2wl0 s THR 96 CO 0.24 -0.85 0.38 -0.76 -0.54 0.00 0.00 174.62 173.08 2wl0 s LEU 97 N -2.80 4.42 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.16 2wl0 s LEU 97 Ca 0.07 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2wl0 s LEU 97 Cb 0.04 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2wl0 s LEU 97 CO -0.06 0.27 0.02 0.20 0.23 0.00 0.00 176.35 177.01 2wl0 s ASN 98 N -0.71 0.00 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.10 2wl0 s ASN 98 Ca 0.22 0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2wl0 s ASN 98 Cb -0.16 0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2wl0 s ASN 98 CO 0.11 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.83