#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwk s MET 0 N 0.00 2.68 -0.32 -1.46 1.00 -1.26 -5.02 119.30 114.92 3lwk s MET 0 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 55.69 56.69 3lwk s MET 0 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 34.83 32.85 3lwk s MET 0 CO 0.00 -1.31 0.22 -1.12 0.00 0.00 0.00 175.02 172.81 3lwk s SER 8 N -3.39 6.00 0.35 3.03 0.01 -1.26 -5.07 113.70 113.37 3lwk s SER 8 Ca 0.61 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 57.46 3lwk s SER 8 Cb -0.16 -2.12 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 3lwk s SER 8 CO 0.52 -0.19 0.66 0.00 0.41 0.00 0.00 173.24 174.65 3lwk s ALA 9 N 1.72 3.49 0.57 1.44 0.00 -1.26 -5.11 121.76 122.60 3lwk s ALA 9 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 3lwk s ALA 9 Cb -0.17 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.48 3lwk s ALA 9 CO 0.10 0.10 0.20 0.41 0.00 0.00 0.00 175.76 176.58 3lwk n GLY 10 N -1.16 0.32 3.74 0.00 0.00 -1.26 -5.08 105.19 101.74 3lwk n GLY 10 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 3lwk n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lwk s PRO 11 N -3.04 2.18 0.36 1.61 0.02 -1.26 -4.89 135.00 129.98 3lwk s PRO 11 Ca 0.13 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.37 3lwk s PRO 11 Cb -0.01 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 3lwk s PRO 11 CO 0.09 -1.75 1.43 -1.58 -0.33 0.00 0.00 177.00 174.86 3lwk s TRP 12 N -2.37 2.73 -0.27 6.54 0.52 -1.26 -4.67 118.94 120.15 3lwk s TRP 12 Ca 0.68 1.24 -0.23 0.00 0.02 0.00 0.00 56.10 57.81 3lwk s TRP 12 Cb -0.23 -3.92 0.07 0.00 -1.15 0.00 0.00 33.47 28.24 3lwk s TRP 12 CO 0.48 -2.65 0.73 0.15 0.02 0.00 0.00 176.95 175.68 3lwk s LYS 13 N -1.99 0.80 0.05 4.98 1.02 -0.46 -4.53 119.74 119.60 3lwk s LYS 13 Ca 0.52 1.02 -0.01 0.00 0.02 0.00 0.00 55.97 57.52 3lwk s LYS 13 Cb -0.44 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.18 3lwk s LYS 13 CO 0.60 -0.11 -0.03 0.00 -0.92 0.00 0.00 175.35 174.89 3lwk s MET 14 N 0.61 0.57 -0.04 1.68 0.23 -0.78 -0.92 119.30 120.65 3lwk s MET 14 Ca -0.02 -1.14 0.03 0.00 -1.03 0.00 0.00 55.69 53.53 3lwk s MET 14 Cb -0.05 0.19 0.01 0.00 -1.53 0.00 0.00 34.83 33.44 3lwk s MET 14 CO -0.03 -0.10 -0.10 0.08 -2.03 0.00 0.00 175.02 172.84 3lwk s VAL 15 N -3.57 0.90 0.12 5.16 1.01 0.42 -0.49 120.40 123.95 3lwk s VAL 15 Ca 0.04 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3lwk s VAL 15 Cb 0.05 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3lwk s VAL 15 CO -0.09 0.28 -0.17 0.68 0.00 0.00 0.00 175.10 175.81 3lwk s VAL 16 N 0.33 2.91 0.11 2.92 -7.23 0.21 -0.77 120.40 118.87 3lwk s VAL 16 Ca -0.06 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.66 3lwk s VAL 16 Cb -0.11 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3lwk s VAL 16 CO 0.01 0.09 -0.13 0.26 -0.31 0.00 0.00 175.10 175.02 3lwk s TRP 17 N -1.19 1.29 -2.29 2.82 0.51 -0.34 -1.33 118.94 118.41 3lwk s TRP 17 Ca 0.19 -0.57 0.20 0.00 -2.12 0.00 0.00 56.10 53.80 3lwk s TRP 17 Cb -0.10 -0.69 0.58 0.00 -0.81 0.00 0.00 33.47 32.45 3lwk s TRP 17 CO 0.11 0.10 1.46 -0.40 -0.51 0.00 0.00 176.95 177.71 3lwk n ASP 18 N 0.62 2.38 -4.26 2.95 5.75 -0.41 -1.09 116.55 122.49 3lwk n ASP 18 Ca -0.16 -1.86 -0.15 0.00 -0.01 0.00 0.00 54.79 52.61 3lwk n ASP 18 Cb 0.57 -0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.37 3lwk n ASP 18 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3lwk s GLU 19 N -1.62 1.11 0.86 0.11 2.02 -1.05 -4.35 118.70 115.77 3lwk s GLU 19 Ca 0.34 -1.48 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 3lwk s GLU 19 Cb 0.19 -0.67 0.11 0.00 0.10 0.00 0.00 34.13 33.86 3lwk s GLU 19 CO 0.27 0.07 1.15 -0.51 0.02 0.00 0.00 175.26 176.26 3lwk s ASP 20 N -3.19 3.37 -1.62 -0.19 1.11 -1.26 -3.69 116.67 111.21 3lwk s ASP 20 Ca 0.18 2.17 -0.02 0.00 0.18 0.00 0.00 52.55 55.06 3lwk s ASP 20 Cb 0.02 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.45 3lwk s ASP 20 CO 0.02 -2.80 0.27 0.61 1.18 0.00 0.00 175.17 174.45 3lwk n GLY 21 N 0.02 -0.47 2.73 0.21 0.00 0.21 -3.26 105.19 104.64 3lwk n GLY 21 Ca 0.12 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3lwk n GLY 21 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3lwk n PHE 22 N -4.23 -1.59 -4.22 1.61 3.72 -1.24 -5.02 117.46 106.49 3lwk n PHE 22 Ca -0.18 0.49 -0.24 0.00 -0.05 0.00 0.00 57.45 57.47 3lwk n PHE 22 Cb 0.65 -3.53 -0.08 0.00 -0.94 0.00 0.00 39.48 35.58 3lwk n PHE 22 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3lwk s GLN 23 N -5.55 2.20 2.12 -1.08 -0.21 -1.20 -5.05 119.66 110.89 3lwk s GLN 23 Ca 0.28 -1.73 0.00 0.00 0.02 0.00 0.00 55.36 53.94 3lwk s GLN 23 Cb -0.13 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.88 3lwk s GLN 23 CO 0.35 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 3lwk n GLY 24 N -1.09 -0.73 3.77 3.09 0.00 -1.26 -2.53 105.19 106.43 3lwk n GLY 24 Ca -0.03 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3lwk n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lwk s ARG 25 N 0.00 4.37 0.05 1.61 0.52 -1.26 -4.82 118.95 119.43 3lwk s ARG 25 Ca 0.00 1.89 0.07 0.00 -0.52 0.00 0.00 55.73 57.17 3lwk s ARG 25 Cb 0.00 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 3lwk s ARG 25 CO 0.00 -0.06 -0.20 0.50 0.02 0.00 0.00 175.30 175.56 3lwk s ARG 26 N -1.84 1.33 -0.16 3.54 3.52 -1.26 -1.29 118.95 122.78 3lwk s ARG 26 Ca 0.50 -0.95 -0.12 0.00 -0.13 0.00 0.00 55.73 55.03 3lwk s ARG 26 Cb -0.33 -1.45 0.05 0.00 -1.56 0.00 0.00 34.95 31.66 3lwk s ARG 26 CO 0.42 0.37 0.41 -1.58 -0.81 0.00 0.00 175.30 174.11 3lwk s HIS 27 N -0.85 -0.54 -0.11 5.12 2.46 -0.44 -5.00 115.29 115.93 3lwk s HIS 27 Ca 0.07 1.22 -0.04 0.00 0.47 0.00 0.00 55.06 56.78 3lwk s HIS 27 Cb -0.09 0.22 -0.04 0.00 -0.13 0.00 0.00 32.58 32.55 3lwk s HIS 27 CO 0.02 -0.29 0.05 -2.00 -2.47 0.00 0.00 174.74 170.05 3lwk s GLU 28 N 0.88 3.29 -0.08 2.88 2.12 -1.26 -0.62 118.70 125.91 3lwk s GLU 28 Ca -0.05 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 54.97 3lwk s GLU 28 Cb -0.06 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 3lwk s GLU 28 CO -0.07 0.64 -0.12 -0.06 -0.54 0.00 0.00 175.26 175.10 3lwk s PHE 29 N -0.67 2.78 -0.14 5.30 0.08 0.36 -4.98 117.98 120.72 3lwk s PHE 29 Ca 0.11 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.91 3lwk s PHE 29 Cb -0.12 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3lwk s PHE 29 CO 0.02 0.09 0.71 0.25 -0.10 0.00 0.00 175.22 176.19 3lwk n THR 30 N 2.68 0.34 -4.01 0.64 -2.24 -1.26 -1.87 114.28 108.56 3lwk n THR 30 Ca -0.18 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 60.82 3lwk n THR 30 Cb 0.52 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 3lwk n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lwk s ALA 31 N -0.41 0.09 0.72 6.98 0.00 -1.26 -4.88 121.76 123.00 3lwk s ALA 31 Ca 0.02 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.71 3lwk s ALA 31 Cb 0.01 1.05 0.03 0.00 0.00 0.00 0.00 23.12 24.21 3lwk s ALA 31 CO 0.02 -0.85 1.23 -1.83 0.00 0.00 0.00 175.76 174.33 3lwk s GLU 32 N -3.38 2.17 -0.18 0.00 -1.05 -1.26 -4.88 118.70 110.12 3lwk s GLU 32 Ca 0.25 1.84 -0.01 0.00 -0.15 0.00 0.00 54.97 56.90 3lwk s GLU 32 Cb -0.01 -1.83 0.05 0.00 -0.44 0.00 0.00 34.13 31.90 3lwk s GLU 32 CO 0.14 -1.83 -0.04 0.00 0.95 0.00 0.00 175.26 174.48 3lwk n PRO 34 N 4.86 0.18 -3.42 0.00 -0.04 -1.26 -1.49 135.00 133.83 3lwk n PRO 34 Ca -0.12 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 3lwk n PRO 34 Cb 0.47 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 3lwk n PRO 34 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3lwk s SER 35 N -4.05 -0.52 0.58 3.54 0.15 -1.26 0.00 113.70 112.15 3lwk s SER 35 Ca 0.10 0.73 0.37 0.00 0.70 0.00 0.00 55.95 57.85 3lwk s SER 35 Cb 0.13 1.55 1.68 0.00 -1.71 0.00 0.00 66.02 67.67 3lwk s SER 35 CO 0.52 -0.10 2.10 -0.37 1.20 0.00 0.00 173.24 176.59 3lwk h VAL 36 N 5.40 0.01 0.00 4.45 -1.51 -1.32 -1.93 116.25 121.35 3lwk h VAL 36 Ca -0.17 -0.37 -0.04 0.00 -1.23 0.00 0.00 66.70 64.89 3lwk h VAL 36 Cb 1.13 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.64 3lwk h VAL 36 CO 0.10 0.00 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.17 3lwk h LEU 37 N 0.00 0.00 -0.93 4.19 3.38 -1.82 -1.32 115.31 118.81 3lwk h LEU 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lwk h LEU 37 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3lwk h LEU 37 CO 0.00 0.20 0.00 -0.62 0.09 0.00 0.00 178.44 178.11 3lwk n GLU 38 N -4.29 0.14 0.00 1.13 1.02 -0.72 -1.12 120.64 116.80 3lwk n GLU 38 Ca -0.02 0.52 0.13 0.00 -0.02 0.00 0.00 57.16 57.76 3lwk n GLU 38 Cb 0.26 -1.86 0.37 0.00 -0.02 0.00 0.00 31.44 30.19 3lwk n GLU 38 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3lwk n LEU 39 N -2.15 0.36 0.00 -4.62 4.77 -0.50 -4.94 117.00 109.92 3lwk n LEU 39 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3lwk n LEU 39 Cb 0.12 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3lwk n LEU 39 CO 0.13 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3lwk n GLY 40 N 1.49 0.73 3.77 -0.72 0.00 -0.28 -5.07 105.19 105.11 3lwk n GLY 40 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3lwk n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lwk s PHE 41 N -2.55 2.73 -0.13 1.61 0.40 -1.17 -4.96 117.98 113.90 3lwk s PHE 41 Ca 0.00 1.53 0.17 0.00 -0.60 0.00 0.00 56.93 58.03 3lwk s PHE 41 Cb 0.00 -3.38 -0.24 0.00 0.51 0.00 0.00 43.02 39.91 3lwk s PHE 41 CO 0.00 -1.67 0.39 0.39 0.70 0.00 0.00 175.22 175.03 3lwk n GLU 42 N -0.90 0.66 -3.46 0.44 1.02 -1.26 -4.04 120.64 113.10 3lwk n GLU 42 Ca 0.10 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 3lwk n GLU 42 Cb 0.49 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3lwk n GLU 42 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3lwk s THR 43 N -2.75 0.00 -0.21 2.62 -1.32 -1.26 -4.96 115.64 107.76 3lwk s THR 43 Ca -0.07 -0.09 -0.02 0.00 -1.21 0.00 0.00 61.69 60.30 3lwk s THR 43 Cb 0.08 -1.09 0.01 0.00 -1.51 0.00 0.00 72.50 69.99 3lwk s THR 43 CO 0.84 0.00 -0.11 -0.69 -2.21 0.00 0.00 174.62 172.45 3lwk s VAL 44 N -3.72 2.79 -0.10 5.08 1.01 -1.26 -4.24 120.40 119.96 3lwk s VAL 44 Ca 0.02 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.37 3lwk s VAL 44 Cb -0.01 -2.25 -0.12 0.00 0.00 0.00 0.00 36.38 34.00 3lwk s VAL 44 CO -0.11 0.46 0.23 0.54 0.00 0.00 0.00 175.10 176.21 3lwk n ARG 45 N 4.71 1.21 -3.58 2.72 1.74 -0.25 -4.54 116.66 118.68 3lwk n ARG 45 Ca -0.19 -0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 56.72 3lwk n ARG 45 Cb 0.50 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.78 3lwk n ARG 45 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3lwk s SER 46 N -2.69 -0.32 0.17 0.55 1.04 -1.12 -3.85 113.70 107.47 3lwk s SER 46 Ca -0.02 -0.24 -0.23 0.00 0.48 0.00 0.00 55.95 55.94 3lwk s SER 46 Cb 0.06 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.75 3lwk s SER 46 CO 0.35 -0.89 0.61 -1.48 0.98 0.00 0.00 173.24 172.81 3lwk s LEU 47 N -2.79 -0.55 -0.03 2.42 0.05 -0.37 -1.20 118.68 116.20 3lwk s LEU 47 Ca 0.03 -0.04 0.02 0.00 0.05 0.00 0.00 54.13 54.20 3lwk s LEU 47 Cb 0.01 2.60 0.00 0.00 -2.05 0.00 0.00 46.19 46.76 3lwk s LEU 47 CO -0.12 -0.99 -0.09 -0.54 -0.55 0.00 0.00 176.35 174.06 3lwk s LYS 48 N -3.75 1.00 -0.35 1.48 1.02 0.05 -0.75 119.74 118.44 3lwk s LYS 48 Ca 0.02 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.58 3lwk s LYS 48 Cb -0.01 -0.93 -0.00 0.00 -0.52 0.00 0.00 37.83 36.37 3lwk s LYS 48 CO -0.12 0.10 0.23 0.08 -0.92 0.00 0.00 175.35 174.72 3lwk s VAL 49 N 0.25 5.01 -0.03 3.17 1.01 -0.33 -0.44 120.40 129.04 3lwk s VAL 49 Ca -0.04 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3lwk s VAL 49 Cb -0.09 -3.65 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 3lwk s VAL 49 CO 0.01 -0.09 0.71 -0.07 0.00 0.00 0.00 175.10 175.65 3lwk h LEU 50 N 8.48 0.13 -7.04 3.92 3.38 -1.31 -2.02 115.31 120.84 3lwk h LEU 50 Ca -0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 3lwk h LEU 50 Cb 1.14 -0.04 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 3lwk h LEU 50 CO 0.65 1.21 0.00 -0.55 0.09 0.00 0.00 178.44 179.84 3lwk s SER 51 N -6.44 -0.82 0.00 -0.43 0.15 -1.04 -4.93 113.70 100.20 3lwk s SER 51 Ca -0.08 1.39 0.00 0.00 0.70 0.00 0.00 55.95 57.97 3lwk s SER 51 Cb 0.08 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 3lwk s SER 51 CO 0.82 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.64 3lwk n GLY 52 N 3.77 -1.84 3.03 9.45 0.00 -1.17 -1.36 105.19 117.07 3lwk n GLY 52 Ca -0.18 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 3lwk n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lwk s ALA 53 N -1.47 0.94 0.13 4.61 0.00 -1.26 -3.79 121.76 120.92 3lwk s ALA 53 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.61 3lwk s ALA 53 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3lwk s ALA 53 CO 0.00 0.18 -0.14 -1.58 0.00 0.00 0.00 175.76 174.22 3lwk s TRP 54 N 0.01 1.45 -0.18 0.00 0.52 -0.24 -0.79 118.94 119.71 3lwk s TRP 54 Ca -0.00 -0.55 -0.02 0.00 0.02 0.00 0.00 56.10 55.54 3lwk s TRP 54 Cb -0.07 -0.75 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 3lwk s TRP 54 CO 0.00 0.17 -0.10 0.08 0.02 0.00 0.00 176.95 177.12 3lwk s VAL 55 N -2.19 3.04 0.15 4.03 1.01 0.84 -0.20 120.40 127.07 3lwk s VAL 55 Ca 0.10 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3lwk s VAL 55 Cb -0.05 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 3lwk s VAL 55 CO 0.03 0.48 0.41 -0.83 0.00 0.00 0.00 175.10 175.19 3lwk s GLY 56 N 1.06 2.26 -0.01 4.51 0.00 0.40 -1.03 107.32 114.51 3lwk s GLY 56 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.27 3lwk s GLY 56 CO -0.02 -0.38 -0.13 -1.36 0.00 0.00 0.00 173.10 171.21 3lwk s PHE 57 N -1.65 1.20 0.16 1.90 0.08 0.26 -0.66 117.98 119.29 3lwk s PHE 57 Ca 0.41 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 57.08 3lwk s PHE 57 Cb -0.12 -0.78 0.09 0.00 -0.57 0.00 0.00 43.02 41.65 3lwk s PHE 57 CO 0.23 -0.02 1.75 1.49 -0.10 0.00 0.00 175.22 178.57 3lwk h GLU 58 N 5.81 0.28 -6.19 0.44 4.81 -1.19 -0.02 114.58 118.52 3lwk h GLU 58 Ca -0.34 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 58.35 3lwk h GLU 58 Cb 1.16 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 3lwk h GLU 58 CO 0.49 0.19 -0.56 -1.01 -0.73 0.00 0.00 179.01 177.38 3lwk s HIS 59 N -6.15 2.93 0.91 0.92 3.76 -0.39 -3.26 115.29 114.00 3lwk s HIS 59 Ca -0.13 -0.18 -0.13 0.00 -0.15 0.00 0.00 55.06 54.47 3lwk s HIS 59 Cb 0.13 -1.37 0.05 0.00 1.11 0.00 0.00 32.58 32.50 3lwk s HIS 59 CO 0.72 0.52 0.62 0.00 -0.85 0.00 0.00 174.74 175.75 3lwk n ALA 60 N -1.09 -1.95 -1.56 -1.40 0.00 -1.26 -3.52 120.51 109.73 3lwk n ALA 60 Ca -0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 3lwk n ALA 60 Cb 0.59 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 3lwk n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lwk n GLY 61 N 1.22 0.73 3.62 0.00 0.00 0.10 -3.34 105.19 107.51 3lwk n GLY 61 Ca 0.09 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 3lwk n GLY 61 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3lwk n PHE 62 N -3.15 -2.84 -4.37 1.61 3.72 -1.24 -5.01 117.46 106.18 3lwk n PHE 62 Ca -0.10 1.01 -0.24 0.00 -0.05 0.00 0.00 57.45 58.07 3lwk n PHE 62 Cb 0.39 -4.98 -0.09 0.00 -0.94 0.00 0.00 39.48 33.86 3lwk n PHE 62 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3lwk s GLN 63 N -6.32 1.99 0.82 -1.08 -1.52 -1.21 -5.03 119.66 107.31 3lwk s GLN 63 Ca 0.58 -1.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.44 3lwk s GLN 63 Cb -0.26 -1.99 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 3lwk s GLN 63 CO 0.74 0.36 0.00 0.41 -0.25 0.00 0.00 175.29 176.55 3lwk n GLY 64 N -0.64 -1.76 3.75 3.09 0.00 -1.26 -1.26 105.19 107.11 3lwk n GLY 64 Ca -0.07 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3lwk n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lwk n GLN 65 N 0.00 2.38 -4.23 1.61 1.13 -1.26 -4.67 117.38 112.35 3lwk n GLN 65 Ca 0.00 0.84 -0.33 0.00 -1.94 0.00 0.00 57.00 55.57 3lwk n GLN 65 Cb 0.00 -2.56 -0.08 0.00 0.11 0.00 0.00 30.24 27.70 3lwk n GLN 65 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3lwk s GLN 66 N -2.16 2.85 -0.08 -1.09 -0.21 -1.26 -1.28 119.66 116.44 3lwk s GLN 66 Ca 0.56 -0.59 -0.01 0.00 0.02 0.00 0.00 55.36 55.35 3lwk s GLN 66 Cb -0.49 -2.71 0.03 0.00 1.00 0.00 0.00 33.01 30.83 3lwk s GLN 66 CO 0.61 0.63 -0.03 0.71 -2.12 0.00 0.00 175.29 175.09 3lwk s TYR 67 N -1.13 0.92 0.02 0.91 2.02 0.17 -4.44 117.35 115.82 3lwk s TYR 67 Ca 0.21 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.27 3lwk s TYR 67 Cb -0.12 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3lwk s TYR 67 CO 0.12 -0.35 1.06 -1.50 -1.57 0.00 0.00 175.55 173.30 3lwk s ILE 68 N 1.65 4.58 -0.41 2.71 1.10 -1.26 -0.46 121.20 129.12 3lwk s ILE 68 Ca 0.01 1.85 0.03 0.00 -0.51 0.00 0.00 60.65 62.03 3lwk s ILE 68 Cb -0.13 -4.19 0.12 0.00 0.15 0.00 0.00 42.46 38.41 3lwk s ILE 68 CO -0.05 0.14 0.16 -0.76 -2.11 0.00 0.00 174.94 172.33 3lwk s LEU 69 N 1.05 3.68 0.59 8.50 1.43 0.72 -4.96 118.68 129.70 3lwk s LEU 69 Ca 0.54 -2.42 0.01 0.00 -1.03 0.00 0.00 54.13 51.23 3lwk s LEU 69 Cb -0.24 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.69 3lwk s LEU 69 CO 0.28 -0.32 0.83 -1.61 0.23 0.00 0.00 176.35 175.77 3lwk s GLU 70 N 0.56 2.33 0.14 1.70 2.02 -1.26 -1.08 118.70 123.12 3lwk s GLU 70 Ca 0.14 -0.86 -0.34 0.00 0.02 0.00 0.00 54.97 53.93 3lwk s GLU 70 Cb -0.22 -2.45 -0.14 0.00 0.10 0.00 0.00 34.13 31.42 3lwk s GLU 70 CO -0.07 -0.90 1.56 0.54 0.02 0.00 0.00 175.26 176.41 3lwk n ARG 71 N -2.47 2.04 -1.88 1.61 1.74 -1.25 -4.64 116.66 111.81 3lwk n ARG 71 Ca 0.10 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 3lwk n ARG 71 Cb 0.60 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 3lwk n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lwk n GLY 72 N 3.34 -0.02 3.38 -0.13 0.00 -0.76 -4.96 105.19 106.03 3lwk n GLY 72 Ca 0.17 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 3lwk n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lwk s GLU 73 N -2.00 2.88 -0.46 1.61 2.02 -1.26 -1.19 118.70 120.29 3lwk s GLU 73 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.27 3lwk s GLU 73 Cb 0.00 -2.42 0.14 0.00 0.10 0.00 0.00 34.13 31.95 3lwk s GLU 73 CO 0.00 0.39 0.26 0.71 0.02 0.00 0.00 175.26 176.64 3lwk s TYR 74 N -0.14 2.18 -0.59 1.61 2.02 0.07 -5.01 117.35 117.50 3lwk s TYR 74 Ca -0.02 -2.56 0.25 0.00 -0.37 0.00 0.00 57.07 54.37 3lwk s TYR 74 Cb -0.14 -2.01 0.89 0.00 -0.40 0.00 0.00 41.96 40.30 3lwk s TYR 74 CO 0.04 -0.77 1.75 -1.00 -1.57 0.00 0.00 175.55 174.00 3lwk h PRO 75 N 6.59 0.00 -3.08 -1.71 0.13 -1.90 -0.98 132.00 131.06 3lwk h PRO 75 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3lwk h PRO 75 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 3lwk h PRO 75 CO 0.52 0.00 0.22 -1.54 -0.23 0.00 0.00 178.00 176.97 3lwk s SER 76 N -4.49 -0.05 0.50 1.44 1.04 -1.25 -0.62 113.70 110.27 3lwk s SER 76 Ca 0.07 -0.96 0.20 0.00 0.48 0.00 0.00 55.95 55.74 3lwk s SER 76 Cb 0.11 0.79 1.29 0.00 0.10 0.00 0.00 66.02 68.30 3lwk s SER 76 CO 0.51 -1.53 2.08 4.11 0.98 0.00 0.00 173.24 179.39 3lwk h TRP 77 N 2.01 0.00 0.00 5.02 5.08 -1.89 -1.30 115.95 124.87 3lwk h TRP 77 Ca -0.27 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.70 3lwk h TRP 77 Cb 1.25 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.41 3lwk h TRP 77 CO 1.01 0.11 -0.01 0.38 -1.28 0.00 0.00 178.44 178.64 3lwk h ASP 78 N 0.00 0.00 0.95 0.11 2.03 -1.93 -0.07 116.42 117.51 3lwk h ASP 78 Ca -0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 3lwk h ASP 78 Cb 0.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 3lwk h ASP 78 CO 0.01 0.01 -0.27 0.00 -1.03 0.00 0.00 179.24 177.96 3lwk h ALA 79 N 1.99 1.00 0.00 4.15 0.00 -1.61 -2.94 119.26 121.85 3lwk h ALA 79 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3lwk h ALA 79 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3lwk h ALA 79 CO 0.00 0.33 -1.66 -2.67 0.00 0.00 0.00 179.25 175.25 3lwk n TRP 80 N -3.41 0.00 0.44 0.00 2.14 -0.76 -4.75 117.44 111.10 3lwk n TRP 80 Ca 0.00 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.63 3lwk n TRP 80 Cb 0.46 -0.44 0.04 0.00 -0.81 0.00 0.00 31.31 30.56 3lwk n TRP 80 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3lwk n GLY 81 N 2.20 -0.38 3.05 -1.67 0.00 -0.11 -4.81 105.19 103.47 3lwk n GLY 81 Ca -0.13 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 3lwk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lwk n GLY 82 N 0.61 1.76 0.00 -0.02 0.00 -1.11 -4.97 105.19 101.45 3lwk n GLY 82 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3lwk n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lwk n ALA 88 N 5.95 0.00 0.30 4.61 0.00 -1.26 -4.88 120.51 125.23 3lwk n ALA 88 Ca 0.23 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.83 3lwk n ALA 88 Cb 0.15 0.00 0.94 0.00 0.00 0.00 0.00 19.45 20.54 3lwk n ALA 88 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3lwk h GLU 89 N 0.00 0.00 -5.07 0.00 3.07 -1.95 -3.42 114.58 107.21 3lwk h GLU 89 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 3lwk h GLU 89 Cb 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.76 3lwk h GLU 89 CO 0.00 0.03 -0.52 0.50 -1.40 0.00 0.00 179.01 177.62 3lwk s ARG 90 N -4.38 4.03 -0.11 2.33 3.52 -1.26 -4.91 118.95 118.18 3lwk s ARG 90 Ca -0.04 -0.29 -0.02 0.00 -0.13 0.00 0.00 55.73 55.25 3lwk s ARG 90 Cb 0.14 -3.52 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 3lwk s ARG 90 CO 0.52 0.04 0.00 -1.17 -0.81 0.00 0.00 175.30 173.88 3lwk s LEU 91 N 1.12 0.80 0.00 -0.88 2.96 -1.26 -4.28 118.68 117.14 3lwk s LEU 91 Ca 0.07 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3lwk s LEU 91 Cb -0.14 -0.53 0.00 0.00 0.50 0.00 0.00 46.19 46.03 3lwk s LEU 91 CO 0.05 -0.21 0.00 0.41 -1.32 0.00 0.00 176.35 175.28 3lwk n THR 92 N 5.10 0.00 -4.14 3.68 -1.04 -0.04 -4.10 114.28 113.74 3lwk n THR 92 Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.84 3lwk n THR 92 Cb 0.49 -0.60 -0.10 0.00 -1.82 0.00 0.00 70.33 68.30 3lwk n THR 92 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3lwk s SER 93 N -2.65 0.77 -0.13 8.00 1.04 -1.07 -0.95 113.70 118.70 3lwk s SER 93 Ca 0.00 -1.04 -0.13 0.00 0.48 0.00 0.00 55.95 55.26 3lwk s SER 93 Cb 0.00 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.32 3lwk s SER 93 CO 0.00 -0.56 0.37 -0.36 0.98 0.00 0.00 173.24 173.67 3lwk s PHE 94 N -3.80 -0.40 -0.02 5.02 0.08 -0.55 -0.57 117.98 117.73 3lwk s PHE 94 Ca 0.12 0.97 -0.13 0.00 0.12 0.00 0.00 56.93 58.01 3lwk s PHE 94 Cb 0.07 0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.68 3lwk s PHE 94 CO -0.06 -0.20 0.28 -0.98 -0.10 0.00 0.00 175.22 174.15 3lwk s ARG 95 N 0.14 0.60 0.40 0.44 1.70 -0.19 -0.68 118.95 121.36 3lwk s ARG 95 Ca -0.00 -0.17 -0.26 0.00 -0.47 0.00 0.00 55.73 54.82 3lwk s ARG 95 Cb -0.03 0.26 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 3lwk s ARG 95 CO 0.01 -0.16 1.33 -2.14 -1.08 0.00 0.00 175.30 173.26 3lwk s PRO 96 N -1.18 3.98 -1.30 3.89 0.02 -1.26 -0.11 135.00 139.03 3lwk s PRO 96 Ca -0.12 2.21 -0.17 0.00 0.02 0.00 0.00 61.00 62.93 3lwk s PRO 96 Cb -0.05 -2.78 0.08 0.00 0.02 0.00 0.00 34.50 31.76 3lwk s PRO 96 CO 0.03 -0.50 1.74 0.00 -0.33 0.00 0.00 177.00 177.93 3lwk n ALA 97 N 0.17 3.70 0.20 -1.55 0.00 0.03 -4.78 120.51 118.28 3lwk n ALA 97 Ca 0.03 -3.89 0.06 0.00 0.00 0.00 0.00 53.44 49.64 3lwk n ALA 97 Cb 0.43 -3.55 0.56 0.00 0.00 0.00 0.00 19.45 16.89 3lwk n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lwk h ALA 98 N 7.43 1.85 -0.00 0.00 0.00 -1.91 -0.90 119.26 125.74 3lwk h ALA 98 Ca 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3lwk h ALA 98 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3lwk h ALA 98 CO 1.46 0.12 -0.07 0.00 0.00 0.00 0.00 179.25 180.75 3lwk n ALA 100 N -1.00 0.60 -2.92 0.00 0.00 -0.34 -3.57 120.51 113.27 3lwk n ALA 100 Ca 0.15 0.45 -0.00 0.00 0.00 0.00 0.00 53.44 54.04 3lwk n ALA 100 Cb 0.26 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3lwk n ALA 100 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3lwk s ASN 101 N 1.16 -1.01 0.22 0.00 3.84 -1.26 -4.75 114.94 113.13 3lwk s ASN 101 Ca 0.82 -0.75 -0.08 0.00 0.21 0.00 0.00 52.86 53.06 3lwk s ASN 101 Cb -0.77 1.31 0.30 0.00 -0.55 0.00 0.00 41.25 41.53 3lwk s ASN 101 CO 0.43 -0.09 1.77 -0.74 -2.79 0.00 0.00 177.10 175.68 3lwk h HIS 102 N 5.76 0.57 0.00 0.43 -0.00 -1.92 -0.05 115.15 119.94 3lwk h HIS 102 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3lwk h HIS 102 Cb 1.18 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 3lwk h HIS 102 CO 0.04 0.21 0.00 0.54 -0.00 0.00 0.00 177.93 178.71 3lwk n ARG 103 N -4.89 0.12 -2.69 5.26 1.74 -1.26 -3.77 116.66 111.16 3lwk n ARG 103 Ca 0.10 0.19 -0.23 0.00 -0.77 0.00 0.00 57.85 57.14 3lwk n ARG 103 Cb 0.26 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 3lwk n ARG 103 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3lwk n ASP 104 N -1.88 3.80 -4.30 0.55 2.03 -0.05 -5.04 116.55 111.67 3lwk n ASP 104 Ca 0.05 -3.49 -0.32 0.00 0.52 0.00 0.00 54.79 51.54 3lwk n ASP 104 Cb 0.32 -0.51 -0.16 0.00 -0.72 0.00 0.00 41.12 40.05 3lwk n ASP 104 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3lwk s SER 105 N -3.36 3.55 -0.13 1.67 0.01 -1.13 -2.90 113.70 111.42 3lwk s SER 105 Ca 0.44 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 57.19 3lwk s SER 105 Cb 0.37 -1.48 0.05 0.00 0.21 0.00 0.00 66.02 65.17 3lwk s SER 105 CO -0.13 0.17 0.32 -0.60 0.41 0.00 0.00 173.24 173.40 3lwk s ARG 106 N 0.31 0.30 -0.00 12.44 3.52 -0.63 -4.47 118.95 130.42 3lwk s ARG 106 Ca -0.14 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 3lwk s ARG 106 Cb -0.17 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.19 3lwk s ARG 106 CO 0.07 -0.14 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.23 3lwk s LEU 107 N 1.10 1.94 -0.13 -0.88 2.96 0.18 -0.65 118.68 123.20 3lwk s LEU 107 Ca -0.08 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3lwk s LEU 107 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 3lwk s LEU 107 CO -0.08 0.02 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.96 3lwk s THR 108 N 0.03 3.21 0.09 3.68 2.01 -0.05 -0.27 115.64 124.34 3lwk s THR 108 Ca 0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3lwk s THR 108 Cb -0.02 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3lwk s THR 108 CO -0.00 0.52 -0.07 0.27 -0.69 0.00 0.00 174.62 174.65 3lwk s ILE 109 N 0.33 3.60 0.03 1.82 -4.36 -0.04 -0.62 121.20 121.96 3lwk s ILE 109 Ca -0.09 -1.15 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 3lwk s ILE 109 Cb -0.16 -2.69 -0.02 0.00 1.25 0.00 0.00 42.46 40.85 3lwk s ILE 109 CO 0.05 0.13 -0.11 -0.36 0.24 0.00 0.00 174.94 174.89 3lwk s PHE 110 N -1.23 1.00 0.26 1.37 0.40 -0.38 -0.91 117.98 118.48 3lwk s PHE 110 Ca 0.23 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 3lwk s PHE 110 Cb -0.11 -0.60 0.34 0.00 0.51 0.00 0.00 43.02 43.16 3lwk s PHE 110 CO 0.15 0.00 1.66 0.93 0.70 0.00 0.00 175.22 178.67 3lwk h GLU 111 N 5.09 0.47 -5.81 0.44 4.39 -1.31 0.38 114.58 118.23 3lwk h GLU 111 Ca -0.36 -0.21 -0.59 0.00 0.34 0.00 0.00 59.36 58.55 3lwk h GLU 111 Cb 1.18 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 3lwk h GLU 111 CO 0.45 0.75 -0.42 -0.65 -1.16 0.00 0.00 179.01 177.98 3lwk s GLN 112 N -4.32 2.25 0.85 2.33 -1.52 -0.75 -2.79 119.66 115.71 3lwk s GLN 112 Ca -0.07 -1.98 -0.11 0.00 -1.95 0.00 0.00 55.36 51.25 3lwk s GLN 112 Cb 0.13 -1.98 0.10 0.00 -0.22 0.00 0.00 33.01 31.04 3lwk s GLN 112 CO 0.80 -0.36 1.09 -1.21 -0.25 0.00 0.00 175.29 175.36 3lwk s GLU 113 N -4.06 1.66 -1.58 2.91 2.02 -1.25 -2.44 118.70 115.96 3lwk s GLU 113 Ca 0.33 0.83 -0.01 0.00 0.02 0.00 0.00 54.97 56.14 3lwk s GLU 113 Cb 0.01 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.38 3lwk s GLU 113 CO 0.19 -1.96 0.08 0.09 0.02 0.00 0.00 175.26 173.68 3lwk n ASN 114 N -3.69 -5.48 -2.22 -0.19 3.02 -0.21 -2.61 115.26 103.88 3lwk n ASN 114 Ca 0.07 -0.05 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 3lwk n ASN 114 Cb 0.55 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 3lwk n ASN 114 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3lwk n PHE 115 N -4.07 -1.08 -4.08 3.10 0.99 -1.26 -5.01 117.46 106.05 3lwk n PHE 115 Ca -0.21 0.11 -0.22 0.00 -0.00 0.00 0.00 57.45 57.14 3lwk n PHE 115 Cb 0.66 -3.71 -0.04 0.00 -1.00 0.00 0.00 39.48 35.39 3lwk n PHE 115 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3lwk s LEU 116 N -5.39 3.94 0.00 4.37 1.43 -1.07 -5.03 118.68 116.93 3lwk s LEU 116 Ca 0.07 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3lwk s LEU 116 Cb -0.03 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3lwk s LEU 116 CO 0.08 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3lwk n GLY 117 N -1.24 -1.92 3.76 -3.19 0.00 -1.26 -1.80 105.19 99.54 3lwk n GLY 117 Ca -0.08 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 3lwk n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lwk s LYS 118 N -0.02 3.47 0.20 1.61 1.02 -1.26 -4.66 119.74 120.10 3lwk s LYS 118 Ca 0.00 2.04 0.10 0.00 0.02 0.00 0.00 55.97 58.13 3lwk s LYS 118 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 3lwk s LYS 118 CO 0.00 -0.86 -0.15 -1.59 -0.92 0.00 0.00 175.35 171.82 3lwk s LYS 119 N -2.76 1.84 0.00 1.68 -2.85 -1.26 -1.48 119.74 114.91 3lwk s LYS 119 Ca 0.67 -1.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.23 3lwk s LYS 119 Cb -0.35 -2.00 -0.01 0.00 -2.06 0.00 0.00 37.83 33.41 3lwk s LYS 119 CO 0.43 0.40 -0.08 0.20 0.10 0.00 0.00 175.35 176.40 3lwk s GLY 120 N -2.93 0.43 -0.19 0.59 0.00 -0.09 -4.99 107.32 100.15 3lwk s GLY 120 Ca 0.25 -0.43 -0.04 0.00 0.00 0.00 0.00 44.72 44.50 3lwk s GLY 120 CO 0.14 -0.39 -0.04 -0.54 0.00 0.00 0.00 173.10 172.27 3lwk s GLU 121 N -0.44 3.54 -0.09 2.90 0.41 -1.26 -0.86 118.70 122.90 3lwk s GLU 121 Ca 0.01 -0.57 0.04 0.00 -0.41 0.00 0.00 54.97 54.04 3lwk s GLU 121 Cb -0.04 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 3lwk s GLU 121 CO -0.00 0.04 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.09 3lwk s LEU 122 N 0.89 1.98 -0.00 1.80 1.02 0.63 -4.96 118.68 120.03 3lwk s LEU 122 Ca -0.00 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.65 3lwk s LEU 122 Cb -0.15 -1.27 0.01 0.00 0.02 0.00 0.00 46.19 44.80 3lwk s LEU 122 CO 0.01 0.13 0.67 -1.54 0.02 0.00 0.00 176.35 175.64 3lwk n SER 123 N 3.61 0.51 -3.67 2.29 3.41 -1.26 -0.64 113.62 117.85 3lwk n SER 123 Ca -0.20 -1.37 -0.21 0.00 -0.26 0.00 0.00 58.87 56.83 3lwk n SER 123 Cb 0.53 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 3lwk n SER 123 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3lwk s ASP 124 N -0.39 1.93 0.09 4.04 1.01 -1.26 -4.84 116.67 117.24 3lwk s ASP 124 Ca 0.01 -1.70 -0.13 0.00 0.71 0.00 0.00 52.55 51.44 3lwk s ASP 124 Cb 0.01 0.53 -0.06 0.00 1.01 0.00 0.00 42.92 44.41 3lwk s ASP 124 CO 0.00 -1.00 0.46 -1.81 0.21 0.00 0.00 175.17 173.03 3lwk s ASP 125 N -3.43 6.75 -0.37 0.27 1.01 -1.26 -4.63 116.67 115.00 3lwk s ASP 125 Ca 0.35 0.94 0.01 0.00 0.71 0.00 0.00 52.55 54.56 3lwk s ASP 125 Cb 0.03 -2.24 0.12 0.00 1.01 0.00 0.00 42.92 41.84 3lwk s ASP 125 CO 0.22 0.18 0.17 -0.31 0.21 0.00 0.00 175.17 175.64 3lwk s TYR 126 N -1.35 1.86 -0.58 4.23 2.02 0.64 -4.96 117.35 119.22 3lwk s TYR 126 Ca 0.33 -2.10 0.21 0.00 -0.37 0.00 0.00 57.07 55.14 3lwk s TYR 126 Cb -0.15 -1.80 0.90 0.00 -0.40 0.00 0.00 41.96 40.51 3lwk s TYR 126 CO 0.18 -0.83 1.64 -0.35 -1.57 0.00 0.00 175.55 174.61 3lwk n PRO 127 N 4.18 0.15 -3.47 -1.71 -0.04 -1.26 -1.20 135.00 131.64 3lwk n PRO 127 Ca 0.04 0.41 -0.20 0.00 -0.04 0.00 0.00 63.50 63.70 3lwk n PRO 127 Cb 0.38 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 3lwk n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3lwk s SER 128 N -3.94 1.91 0.27 3.54 0.15 -1.26 -0.40 113.70 113.97 3lwk s SER 128 Ca 0.04 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 56.03 3lwk s SER 128 Cb 0.09 0.26 0.33 0.00 -1.71 0.00 0.00 66.02 64.99 3lwk s SER 128 CO 0.34 -0.37 1.94 -0.07 1.20 0.00 0.00 173.24 176.28 3lwk h LEU 129 N 8.32 1.08 -1.00 3.45 3.38 -1.36 -2.48 115.31 126.70 3lwk h LEU 129 Ca -0.16 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3lwk h LEU 129 Cb 1.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3lwk h LEU 129 CO 0.33 0.78 -0.35 1.56 0.09 0.00 0.00 178.44 180.85 3lwk h GLN 130 N 1.28 0.27 0.00 1.13 4.20 -1.80 -1.80 115.11 118.38 3lwk h GLN 130 Ca 0.35 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 3lwk h GLN 130 Cb -0.13 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3lwk h GLN 130 CO -0.08 0.59 -0.17 0.00 -0.67 0.00 0.00 178.83 178.50 3lwk h ALA 131 N 1.40 1.48 -0.51 3.87 0.00 -1.79 -2.63 119.26 121.09 3lwk h ALA 131 Ca 0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3lwk h ALA 131 Cb 0.74 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3lwk h ALA 131 CO 0.06 0.22 0.11 -1.33 0.00 0.00 0.00 179.25 178.30 3lwk n MET 132 N -4.00 3.24 0.00 0.00 2.81 -0.72 -4.94 117.12 113.51 3lwk n MET 132 Ca -0.02 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 3lwk n MET 132 Cb 0.26 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 3lwk n MET 132 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3lwk n GLY 133 N -0.38 0.44 3.75 3.03 0.00 -0.99 -5.06 105.19 105.97 3lwk n GLY 133 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 3lwk n GLY 133 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3lwk s TRP 134 N -2.00 3.01 -0.25 1.61 -0.11 -0.95 -4.95 118.94 115.30 3lwk s TRP 134 Ca 0.00 1.04 -0.20 0.00 1.22 0.00 0.00 56.10 58.17 3lwk s TRP 134 Cb 0.00 -3.82 -0.02 0.00 -1.50 0.00 0.00 33.47 28.13 3lwk s TRP 134 CO 0.00 -2.64 0.60 -1.21 -4.62 0.00 0.00 176.95 169.08 3lwk s GLU 135 N -0.45 4.10 0.06 5.86 2.02 -1.26 -4.39 118.70 124.64 3lwk s GLU 135 Ca 0.59 0.49 0.00 0.00 0.02 0.00 0.00 54.97 56.07 3lwk s GLU 135 Cb -0.42 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.16 3lwk s GLU 135 CO 0.44 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.74 3lwk n GLY 136 N 4.22 -3.10 0.08 -1.39 0.00 -1.26 -4.67 105.19 99.07 3lwk n GLY 136 Ca -0.02 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.33 3lwk n GLY 136 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3lwk n ASN 137 N -0.44 0.89 -4.39 1.61 5.15 -1.26 -4.84 115.26 111.97 3lwk n ASN 137 Ca 0.00 -0.72 -0.30 0.00 -0.60 0.00 0.00 54.58 52.96 3lwk n ASN 137 Cb 0.00 0.51 -0.14 0.00 -0.53 0.00 0.00 39.78 39.63 3lwk n ASN 137 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3lwk s GLU 138 N -2.88 1.87 -0.02 1.20 2.02 -1.26 -1.23 118.70 118.40 3lwk s GLU 138 Ca 0.12 -1.08 0.05 0.00 0.02 0.00 0.00 54.97 54.08 3lwk s GLU 138 Cb 0.17 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 3lwk s GLU 138 CO 0.72 0.52 -0.16 0.08 0.02 0.00 0.00 175.26 176.44 3lwk s VAL 139 N -0.87 1.32 -0.12 2.63 1.01 -0.58 -4.80 120.40 118.98 3lwk s VAL 139 Ca 0.13 -0.69 0.13 0.00 0.00 0.00 0.00 61.98 61.55 3lwk s VAL 139 Cb -0.10 -1.11 -0.18 0.00 0.00 0.00 0.00 36.38 34.98 3lwk s VAL 139 CO 0.04 0.38 0.09 0.61 0.00 0.00 0.00 175.10 176.22 3lwk n GLY 140 N 2.86 -0.70 3.58 4.51 0.00 0.13 -4.79 105.19 110.77 3lwk n GLY 140 Ca -0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 3lwk n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lwk s SER 141 N -4.58 -0.34 -0.03 1.61 1.04 -1.02 -3.93 113.70 106.45 3lwk s SER 141 Ca -0.07 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 3lwk s SER 141 Cb 0.05 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.80 3lwk s SER 141 CO 0.59 -1.10 0.08 -0.36 0.98 0.00 0.00 173.24 173.43 3lwk s PHE 142 N -3.85 -0.09 -0.22 5.02 0.08 -0.66 -1.25 117.98 117.01 3lwk s PHE 142 Ca 0.08 0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.37 3lwk s PHE 142 Cb -0.02 0.03 0.04 0.00 -0.57 0.00 0.00 43.02 42.50 3lwk s PHE 142 CO -0.03 -0.05 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.33 3lwk s HIS 143 N 0.08 2.85 -0.47 0.36 5.65 0.21 -0.94 115.29 123.03 3lwk s HIS 143 Ca -0.00 -1.88 -0.25 0.00 0.25 0.00 0.00 55.06 53.18 3lwk s HIS 143 Cb -0.01 -1.84 0.03 0.00 -1.18 0.00 0.00 32.58 29.58 3lwk s HIS 143 CO -0.00 -0.82 0.89 0.08 -0.65 0.00 0.00 174.74 174.24 3lwk s VAL 144 N 1.25 4.51 0.10 0.89 1.01 0.54 -0.87 120.40 127.84 3lwk s VAL 144 Ca -0.02 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 3lwk s VAL 144 Cb -0.17 -4.41 -0.19 0.00 0.00 0.00 0.00 36.38 31.61 3lwk s VAL 144 CO -0.09 -0.83 1.26 0.45 0.00 0.00 0.00 175.10 175.89 3lwk h HIS 145 N 9.08 0.97 -2.75 5.22 3.86 -1.20 -3.38 115.15 126.95 3lwk h HIS 145 Ca -0.24 -0.49 0.03 0.00 -1.16 0.00 0.00 60.37 58.51 3lwk h HIS 145 Cb 1.08 -0.13 -0.13 0.00 1.06 0.00 0.00 27.41 29.29 3lwk h HIS 145 CO 0.85 1.31 0.31 0.45 0.86 0.00 0.00 177.93 181.72 3lwk s SER 146 N -7.18 -0.49 0.00 2.45 0.15 -1.01 -4.93 113.70 102.69 3lwk s SER 146 Ca -0.09 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.53 3lwk s SER 146 Cb 0.08 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 3lwk s SER 146 CO 0.90 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 175.09 3lwk n GLY 147 N -0.34 -2.30 3.19 9.45 0.00 -1.14 -1.60 105.19 112.45 3lwk n GLY 147 Ca -0.14 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 3lwk n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lwk s ALA 148 N -1.03 1.62 0.13 4.61 0.00 -1.23 -2.85 121.76 123.01 3lwk s ALA 148 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3lwk s ALA 148 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3lwk s ALA 148 CO 0.00 0.39 -0.17 -1.58 0.00 0.00 0.00 175.76 174.40 3lwk s TRP 149 N -0.41 1.63 -0.10 0.00 0.52 -0.25 -0.89 118.94 119.44 3lwk s TRP 149 Ca 0.06 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 55.71 3lwk s TRP 149 Cb -0.08 -0.84 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 3lwk s TRP 149 CO -0.00 0.23 -0.13 0.54 0.02 0.00 0.00 176.95 177.61 3lwk s VAL 150 N -1.91 1.30 -0.03 4.03 0.11 -0.02 0.07 120.40 123.94 3lwk s VAL 150 Ca 0.11 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 3lwk s VAL 150 Cb -0.06 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 3lwk s VAL 150 CO 0.05 0.40 0.11 0.00 -3.33 0.00 0.00 175.10 172.32 3lwk s SER 152 N -1.61 2.27 0.24 0.00 0.01 -0.15 -0.91 113.70 113.56 3lwk s SER 152 Ca 0.22 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 3lwk s SER 152 Cb -0.12 -0.19 0.35 0.00 0.21 0.00 0.00 66.02 66.27 3lwk s SER 152 CO 0.13 0.14 1.84 -0.61 0.41 0.00 0.00 173.24 175.14 3lwk h GLN 153 N 4.94 0.90 -5.94 12.44 4.15 -1.29 -0.75 115.11 129.56 3lwk h GLN 153 Ca -0.41 -0.05 -0.60 0.00 0.77 0.00 0.00 58.65 58.35 3lwk h GLN 153 Cb 1.16 -0.20 -0.12 0.00 0.21 0.00 0.00 27.48 28.53 3lwk h GLN 153 CO 0.44 0.59 -0.63 -0.06 -1.93 0.00 0.00 178.83 177.25 3lwk s PHE 154 N -6.05 2.50 0.81 3.99 0.08 -0.13 -3.02 117.98 116.15 3lwk s PHE 154 Ca -0.13 -0.50 -0.13 0.00 0.12 0.00 0.00 56.93 56.30 3lwk s PHE 154 Cb 0.19 -1.53 0.08 0.00 -0.57 0.00 0.00 43.02 41.19 3lwk s PHE 154 CO 0.79 0.49 1.17 -2.14 -0.10 0.00 0.00 175.22 175.42 3lwk s PRO 155 N -3.70 1.72 -0.93 0.24 0.02 -1.26 -3.39 135.00 127.70 3lwk s PRO 155 Ca 0.35 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3lwk s PRO 155 Cb 0.02 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.74 3lwk s PRO 155 CO 0.18 -2.12 0.00 0.41 -0.33 0.00 0.00 177.00 175.14 3lwk n GLY 156 N 0.14 0.76 2.69 0.52 0.00 0.47 -3.78 105.19 105.97 3lwk n GLY 156 Ca 0.12 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3lwk n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3lwk n TYR 157 N -3.12 -1.62 -4.39 1.61 4.01 -1.22 -5.03 117.16 107.41 3lwk n TYR 157 Ca -0.10 0.62 -0.24 0.00 -0.16 0.00 0.00 57.90 58.03 3lwk n TYR 157 Cb 0.39 -3.76 -0.09 0.00 -0.31 0.00 0.00 39.34 35.58 3lwk n TYR 157 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3lwk s ARG 158 N -5.36 1.97 1.21 -0.72 0.52 -1.23 -5.01 118.95 110.33 3lwk s ARG 158 Ca 0.19 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 3lwk s ARG 158 Cb -0.08 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3lwk s ARG 158 CO 0.46 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.53 3lwk n GLY 159 N -0.76 -1.74 3.75 -3.53 0.00 -1.26 -0.96 105.19 100.69 3lwk n GLY 159 Ca -0.06 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3lwk n GLY 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3lwk s PHE 160 N 0.00 2.85 0.08 1.61 -0.12 -1.26 -4.69 117.98 116.45 3lwk s PHE 160 Ca 0.00 0.89 0.04 0.00 -0.05 0.00 0.00 56.93 57.81 3lwk s PHE 160 Cb 0.00 -3.97 -0.04 0.00 -0.63 0.00 0.00 43.02 38.38 3lwk s PHE 160 CO 0.00 -3.20 0.03 -0.65 -0.05 0.00 0.00 175.22 171.35 3lwk s GLN 161 N -0.51 2.69 -0.03 1.99 -0.21 -1.26 -2.14 119.66 120.18 3lwk s GLN 161 Ca 0.61 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 55.24 3lwk s GLN 161 Cb -0.45 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 30.96 3lwk s GLN 161 CO 0.47 0.56 -0.01 0.71 -2.12 0.00 0.00 175.29 174.89 3lwk s TYR 162 N -1.31 0.41 -0.16 0.91 2.02 -0.08 -4.32 117.35 114.82 3lwk s TYR 162 Ca 0.26 -0.05 -0.08 0.00 -0.37 0.00 0.00 57.07 56.83 3lwk s TYR 162 Cb -0.12 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 3lwk s TYR 162 CO 0.19 -0.14 0.12 0.08 -1.57 0.00 0.00 175.55 174.23 3lwk s VAL 163 N 0.97 5.35 -0.13 0.71 1.01 -1.26 -0.57 120.40 126.48 3lwk s VAL 163 Ca -0.10 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3lwk s VAL 163 Cb -0.14 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3lwk s VAL 163 CO -0.01 0.53 -0.19 -0.76 0.00 0.00 0.00 175.10 174.67 3lwk s LEU 164 N -0.35 2.31 0.07 3.92 1.43 0.11 -4.98 118.68 121.19 3lwk s LEU 164 Ca 0.11 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3lwk s LEU 164 Cb -0.12 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3lwk s LEU 164 CO 0.01 0.13 -0.19 -1.61 0.23 0.00 0.00 176.35 174.92 3lwk s GLU 165 N 0.55 1.94 0.61 1.70 0.41 -1.26 -1.09 118.70 121.56 3lwk s GLU 165 Ca -0.12 -1.06 0.40 0.00 -0.41 0.00 0.00 54.97 53.78 3lwk s GLU 165 Cb -0.16 -2.14 1.96 0.00 -1.78 0.00 0.00 34.13 32.01 3lwk s GLU 165 CO 0.04 0.52 2.19 0.00 -0.49 0.00 0.00 175.26 177.52 3lwk n ASP 167 N -3.05 3.21 -4.50 0.00 5.75 -1.26 -1.62 116.55 115.08 3lwk n ASP 167 Ca -0.01 -2.31 -0.43 0.00 -0.01 0.00 0.00 54.79 52.03 3lwk n ASP 167 Cb 0.17 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 3lwk n ASP 167 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3lwk s HIS 168 N -1.56 2.76 -1.39 2.11 2.46 -1.10 -4.27 115.29 114.31 3lwk s HIS 168 Ca 0.29 -0.21 -0.05 0.00 0.47 0.00 0.00 55.06 55.56 3lwk s HIS 168 Cb 0.19 -4.12 0.03 0.00 -0.13 0.00 0.00 32.58 28.55 3lwk s HIS 168 CO 0.13 -1.44 0.78 0.72 -2.47 0.00 0.00 174.74 172.47 3lwk n HIS 169 N 7.50 -2.04 -2.33 3.88 8.25 -1.26 0.10 115.22 129.32 3lwk n HIS 169 Ca -0.00 0.86 -0.18 0.00 -0.26 0.00 0.00 57.72 58.13 3lwk n HIS 169 Cb 0.47 -4.23 -0.01 0.00 1.12 0.00 0.00 29.99 27.33 3lwk n HIS 169 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3lwk n SER 170 N -2.98 -5.28 0.00 0.41 7.64 -1.26 -1.23 113.62 110.91 3lwk n SER 170 Ca -0.19 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3lwk n SER 170 Cb 0.63 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 3lwk n SER 170 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lwk n GLY 171 N -0.90 0.77 3.69 0.23 0.00 0.11 -4.82 105.19 104.27 3lwk n GLY 171 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3lwk n GLY 171 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lwk s ASP 172 N -2.98 7.15 -0.52 1.61 1.01 -0.37 -0.34 116.67 122.23 3lwk s ASP 172 Ca 0.00 1.41 0.04 0.00 0.71 0.00 0.00 52.55 54.71 3lwk s ASP 172 Cb 0.00 -2.51 0.15 0.00 1.01 0.00 0.00 42.92 41.57 3lwk s ASP 172 CO 0.00 -0.37 0.34 -0.31 0.21 0.00 0.00 175.17 175.04 3lwk s TYR 173 N 1.79 2.41 -0.59 4.23 2.02 -0.12 -4.62 117.35 122.48 3lwk s TYR 173 Ca 0.45 -2.76 0.25 0.00 -0.37 0.00 0.00 57.07 54.64 3lwk s TYR 173 Cb -0.18 -2.03 0.60 0.00 -0.40 0.00 0.00 41.96 39.95 3lwk s TYR 173 CO 0.18 -0.71 1.70 0.87 -1.57 0.00 0.00 175.55 176.01 3lwk h LYS 174 N 6.07 0.00 -4.94 -0.62 1.79 -1.91 -1.76 116.57 115.20 3lwk h LYS 174 Ca 0.09 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.22 3lwk h LYS 174 Cb 0.87 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.31 3lwk h LYS 174 CO 0.55 0.00 -0.75 -1.01 -1.08 0.00 0.00 179.45 177.16 3lwk s HIS 175 N -3.16 0.95 0.19 -1.35 3.76 -1.26 -1.04 115.29 113.38 3lwk s HIS 175 Ca 0.09 -0.51 0.35 0.00 -0.15 0.00 0.00 55.06 54.84 3lwk s HIS 175 Cb 0.09 -0.54 1.70 0.00 1.11 0.00 0.00 32.58 34.94 3lwk s HIS 175 CO 0.63 -0.02 2.05 0.27 -0.85 0.00 0.00 174.74 176.82 3lwk h PHE 176 N 4.27 0.00 -0.27 1.40 -0.00 -1.89 -1.05 116.94 119.39 3lwk h PHE 176 Ca -0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.49 3lwk h PHE 176 Cb 1.20 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.13 3lwk h PHE 176 CO 0.64 0.00 -0.26 0.07 -0.00 0.00 0.00 178.31 178.75 3lwk h ARG 177 N 0.00 0.54 -0.03 6.09 -0.00 -1.96 -2.76 114.38 116.26 3lwk h ARG 177 Ca 0.00 -0.21 -0.08 0.00 -0.00 0.00 0.00 59.98 59.69 3lwk h ARG 177 Cb 0.21 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.14 3lwk h ARG 177 CO 0.00 0.75 -0.36 0.93 -0.00 0.00 0.00 179.97 181.30 3lwk h GLU 178 N 0.47 0.06 0.00 0.08 5.08 -1.59 -3.53 114.58 115.15 3lwk h GLU 178 Ca 0.07 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 3lwk h GLU 178 Cb 0.71 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3lwk h GLU 178 CO 0.05 0.41 -1.59 0.91 -1.00 0.00 0.00 179.01 177.80 3lwk n TRP 179 N -4.10 0.00 -3.64 4.33 5.03 -1.04 -5.05 117.44 112.97 3lwk n TRP 179 Ca -0.02 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.22 3lwk n TRP 179 Cb 0.41 -0.39 -0.09 0.00 -1.03 0.00 0.00 31.31 30.21 3lwk n TRP 179 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 3lwk n PRO 184 N -3.15 2.33 -4.69 -0.99 -0.04 -1.26 -5.00 135.00 122.19 3lwk n PRO 184 Ca -0.20 -4.57 -0.33 0.00 -0.04 0.00 0.00 63.50 58.36 3lwk n PRO 184 Cb 0.67 -2.30 -0.13 0.00 -0.04 0.00 0.00 33.50 31.70 3lwk n PRO 184 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3lwk s THR 185 N -1.94 3.33 -0.66 0.52 -4.23 -1.26 -5.02 115.64 106.38 3lwk s THR 185 Ca 0.32 -0.58 0.16 0.00 -1.18 0.00 0.00 61.69 60.41 3lwk s THR 185 Cb 0.04 -2.40 0.74 0.00 1.34 0.00 0.00 72.50 72.22 3lwk s THR 185 CO -0.09 0.54 1.66 0.49 -0.54 0.00 0.00 174.62 176.67 3lwk n PHE 186 N 3.19 1.67 -2.76 3.99 3.72 -1.26 -4.94 117.46 121.06 3lwk n PHE 186 Ca -0.18 -0.68 -0.42 0.00 -0.05 0.00 0.00 57.45 56.11 3lwk n PHE 186 Cb 0.53 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3lwk n PHE 186 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3lwk s GLN 187 N -2.31 4.14 -0.06 -1.08 0.74 -1.26 -1.52 119.66 118.31 3lwk s GLN 187 Ca 0.51 1.05 -0.03 0.00 0.05 0.00 0.00 55.36 56.95 3lwk s GLN 187 Cb 0.36 -3.68 0.04 0.00 1.10 0.00 0.00 33.01 30.83 3lwk s GLN 187 CO 0.19 -0.67 0.12 0.08 -0.55 0.00 0.00 175.29 174.46 3lwk s VAL 188 N 3.17 -0.17 0.00 1.34 1.01 -0.37 -4.19 120.40 121.20 3lwk s VAL 188 Ca 0.40 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3lwk s VAL 188 Cb -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3lwk s VAL 188 CO 0.10 0.14 0.15 0.00 0.00 0.00 0.00 175.10 175.49 3lwk n GLN 189 N 5.04 4.11 -3.74 2.72 6.02 -0.31 -4.33 117.38 126.89 3lwk n GLN 189 Ca -0.10 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 56.61 3lwk n GLN 189 Cb 0.50 -0.63 -0.09 0.00 1.02 0.00 0.00 30.24 31.04 3lwk n GLN 189 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3lwk s SER 190 N -0.63 -0.29 -0.08 1.08 1.04 -1.11 -1.22 113.70 112.49 3lwk s SER 190 Ca 0.00 0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 3lwk s SER 190 Cb 0.00 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3lwk s SER 190 CO 0.00 -0.34 0.21 -0.63 0.98 0.00 0.00 173.24 173.46 3lwk s ILE 191 N -0.75 -0.01 0.15 -1.02 1.01 -0.34 -0.98 121.20 119.25 3lwk s ILE 191 Ca -0.08 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 3lwk s ILE 191 Cb -0.04 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 3lwk s ILE 191 CO 0.03 0.02 0.17 0.00 0.00 0.00 0.00 174.94 175.16 3lwk s ARG 192 N 0.44 1.04 0.33 2.79 1.70 -0.60 -0.26 118.95 124.39 3lwk s ARG 192 Ca -0.03 -1.30 -0.25 0.00 -0.47 0.00 0.00 55.73 53.69 3lwk s ARG 192 Cb -0.04 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.55 3lwk s ARG 192 CO -0.02 -0.34 0.93 1.03 -1.08 0.00 0.00 175.30 175.82 3lwk s ARG 193 N -4.00 4.53 0.13 3.89 0.52 -1.26 -0.84 118.95 121.91 3lwk s ARG 193 Ca 0.20 1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 56.44 3lwk s ARG 193 Cb 0.05 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 3lwk s ARG 193 CO 0.01 0.26 0.76 0.42 0.02 0.00 0.00 175.30 176.76 3lwk s ILE 194 N -1.67 4.49 -0.41 1.52 1.01 -0.07 -4.86 121.20 121.22 3lwk s ILE 194 Ca 0.51 1.64 -0.15 0.00 0.00 0.00 0.00 60.65 62.65 3lwk s ILE 194 Cb -0.18 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.20 3lwk s ILE 194 CO 0.22 0.49 0.29 -1.58 0.00 0.00 0.00 174.94 174.36 3lwk s GLN 195 N -0.87 2.97 0.00 2.79 2.00 -1.26 -3.92 119.66 121.37 3lwk s GLN 195 Ca 0.36 -1.01 0.24 0.00 -2.00 0.00 0.00 55.36 52.94 3lwk s GLN 195 Cb -0.22 -3.96 1.41 0.00 0.80 0.00 0.00 33.01 31.04 3lwk s GLN 195 CO 0.25 -0.74 1.78 0.00 -0.50 0.00 0.00 175.29 176.08