#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrw s GLN 2 N 0.00 3.12 -0.16 -0.52 0.74 -1.26 -5.09 119.66 116.50 1mrw s GLN 2 Ca 0.00 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.61 1mrw s GLN 2 Cb 0.00 -2.57 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 1mrw s GLN 2 CO 0.00 -0.04 -0.11 0.42 -0.55 0.00 0.00 175.29 175.02 1mrw s ILE 3 N 0.92 3.14 0.71 -2.34 1.01 -1.26 -5.12 121.20 118.26 1mrw s ILE 3 Ca -0.04 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 1mrw s ILE 3 Cb -0.15 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1mrw s ILE 3 CO -0.03 0.50 1.08 0.42 0.00 0.00 0.00 174.94 176.92 1mrw s THR 4 N 0.67 3.16 -0.19 2.92 -4.23 -1.26 -5.01 115.64 111.70 1mrw s THR 4 Ca -0.06 0.29 0.17 0.00 -1.18 0.00 0.00 61.69 60.91 1mrw s THR 4 Cb -0.15 -3.36 0.45 0.00 1.34 0.00 0.00 72.50 70.78 1mrw s THR 4 CO 0.02 -0.45 1.33 0.18 -0.54 0.00 0.00 174.62 175.16 1mrw n LEU 5 N -3.01 3.39 0.10 4.79 4.77 -1.26 -4.58 117.00 121.20 1mrw n LEU 5 Ca 0.07 -2.98 0.10 0.00 -0.03 0.00 0.00 56.01 53.16 1mrw n LEU 5 Cb 0.58 -0.49 0.58 0.00 -2.33 0.00 0.00 43.42 41.76 1mrw n LEU 5 CO 0.57 0.68 1.13 -0.50 -1.33 0.00 0.00 177.39 177.94 1mrw h TRP 6 N 1.28 0.19 -4.24 -1.77 4.06 -2.06 -3.43 115.95 109.98 1mrw h TRP 6 Ca 0.00 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.69 1mrw h TRP 6 Cb 1.28 -0.06 -0.15 0.00 -1.00 0.00 0.00 29.16 29.23 1mrw h TRP 6 CO 0.34 0.11 -0.63 0.15 -3.56 0.00 0.00 178.44 174.85 1mrw s LYS 7 N -5.21 1.18 0.18 0.49 1.02 -1.26 -5.11 119.74 111.03 1mrw s LYS 7 Ca -0.06 -1.61 -0.33 0.00 0.02 0.00 0.00 55.97 53.99 1mrw s LYS 7 Cb 0.18 0.06 -0.14 0.00 -0.52 0.00 0.00 37.83 37.41 1mrw s LYS 7 CO 0.71 -0.30 1.43 0.54 -0.92 0.00 0.00 175.35 176.81 1mrw n ARG 8 N -0.28 1.86 -2.35 1.68 1.74 -1.26 -4.84 116.66 113.21 1mrw n ARG 8 Ca -0.01 0.67 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 1mrw n ARG 8 Cb 0.65 -2.34 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 1mrw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mrw n PRO 9 N 2.56 2.99 -3.44 5.56 -0.04 -1.26 -4.96 135.00 136.41 1mrw n PRO 9 Ca 0.15 -3.07 -0.38 0.00 -0.04 0.00 0.00 63.50 60.16 1mrw n PRO 9 Cb 0.28 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.22 1mrw n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mrw s LEU 10 N 4.24 4.48 0.09 1.53 1.43 -1.26 -1.63 118.68 127.57 1mrw s LEU 10 Ca 0.54 1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 1mrw s LEU 10 Cb 0.06 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1mrw s LEU 10 CO 0.05 0.30 -0.01 0.68 0.23 0.00 0.00 176.35 177.60 1mrw s VAL 11 N -1.03 0.33 0.12 -1.59 -7.23 0.24 -4.95 120.40 106.29 1mrw s VAL 11 Ca 0.25 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.38 1mrw s VAL 11 Cb -0.17 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 34.96 1mrw s VAL 11 CO 0.15 -0.80 0.57 -0.89 -0.31 0.00 0.00 175.10 173.82 1mrw s THR 12 N -3.87 4.79 0.09 5.32 2.01 -1.26 -0.53 115.64 122.19 1mrw s THR 12 Ca 0.14 1.03 0.02 0.00 0.31 0.00 0.00 61.69 63.19 1mrw s THR 12 Cb 0.07 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1mrw s THR 12 CO -0.05 0.39 -0.07 0.27 -0.69 0.00 0.00 174.62 174.47 1mrw s ILE 13 N -1.30 0.70 -0.19 1.82 -4.36 0.14 -3.64 121.20 114.36 1mrw s ILE 13 Ca 0.34 -1.83 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 1mrw s ILE 13 Cb -0.17 -1.56 0.04 0.00 1.25 0.00 0.00 42.46 42.02 1mrw s ILE 13 CO 0.19 -0.81 -0.14 -0.75 0.24 0.00 0.00 174.94 173.68 1mrw s LYS 14 N -3.55 2.38 -0.02 0.37 2.20 -0.35 -1.01 119.74 119.75 1mrw s LYS 14 Ca 0.09 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1mrw s LYS 14 Cb 0.03 -2.48 0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1mrw s LYS 14 CO -0.04 -0.35 0.01 -1.50 -0.36 0.00 0.00 175.35 173.11 1mrw s ILE 15 N 1.34 0.08 -1.56 5.43 2.07 0.04 -1.25 121.20 127.35 1mrw s ILE 15 Ca 0.00 0.13 -0.04 0.00 -1.41 0.00 0.00 60.65 59.33 1mrw s ILE 15 Cb -0.15 -0.19 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1mrw s ILE 15 CO -0.09 0.12 0.45 0.61 -1.91 0.00 0.00 174.94 174.11 1mrw n GLY 16 N 4.10 -0.52 2.74 1.50 0.00 -1.26 -0.91 105.19 110.84 1mrw n GLY 16 Ca -0.27 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1mrw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mrw n GLY 17 N -1.36 0.51 3.55 -0.02 0.00 -1.26 -5.00 105.19 101.61 1mrw n GLY 17 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1mrw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mrw s GLN 18 N -0.45 2.43 0.05 1.61 -0.21 -0.09 -5.12 119.66 117.88 1mrw s GLN 18 Ca 0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 55.36 54.48 1mrw s GLN 18 Cb 0.00 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.54 1mrw s GLN 18 CO 0.00 0.59 0.40 -0.51 -2.12 0.00 0.00 175.29 173.65 1mrw s LEU 19 N -1.38 4.38 0.07 2.90 1.43 -1.26 -0.78 118.68 124.04 1mrw s LEU 19 Ca 0.16 0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 53.90 1mrw s LEU 19 Cb -0.11 -2.86 0.05 0.00 0.03 0.00 0.00 46.19 43.30 1mrw s LEU 19 CO 0.06 0.22 0.48 -0.54 0.23 0.00 0.00 176.35 176.80 1mrw s LYS 20 N -1.66 1.04 -0.08 1.70 1.02 -0.18 -4.98 119.74 116.60 1mrw s LYS 20 Ca 0.30 -0.38 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 1mrw s LYS 20 Cb -0.15 0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 37.59 1mrw s LYS 20 CO 0.16 -0.39 0.26 -2.00 -0.92 0.00 0.00 175.35 172.47 1mrw s GLU 21 N -2.84 3.70 0.08 1.68 2.12 -1.26 0.27 118.70 122.45 1mrw s GLU 21 Ca -0.03 0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 1mrw s GLU 21 Cb -0.00 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1mrw s GLU 21 CO -0.05 0.70 0.11 0.00 -0.54 0.00 0.00 175.26 175.47 1mrw s ALA 22 N -0.92 0.08 -0.21 6.30 0.00 0.31 -4.50 121.76 122.82 1mrw s ALA 22 Ca 0.18 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1mrw s ALA 22 Cb -0.14 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1mrw s ALA 22 CO 0.08 -0.46 0.11 -1.17 0.00 0.00 0.00 175.76 174.31 1mrw s LEU 23 N -2.89 3.93 -0.53 0.00 2.96 0.37 -0.59 118.68 121.93 1mrw s LEU 23 Ca 0.06 0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 1mrw s LEU 23 Cb 0.06 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1mrw s LEU 23 CO -0.10 0.11 1.26 -0.76 -1.32 0.00 0.00 176.35 175.54 1mrw s LEU 24 N 0.75 3.50 -0.34 -0.68 1.43 -0.64 -0.37 118.68 122.32 1mrw s LEU 24 Ca 0.06 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1mrw s LEU 24 Cb -0.13 -3.29 0.09 0.00 0.03 0.00 0.00 46.19 42.90 1mrw s LEU 24 CO 0.02 -1.47 0.05 -0.62 0.23 0.00 0.00 176.35 174.55 1mrw s ASP 25 N 3.30 4.80 0.27 2.29 -1.08 -0.50 -4.79 116.67 120.96 1mrw s ASP 25 Ca 0.49 -2.02 0.24 0.00 -0.52 0.00 0.00 52.55 50.73 1mrw s ASP 25 Cb -0.09 -1.65 0.99 0.00 -1.46 0.00 0.00 42.92 40.72 1mrw s ASP 25 CO 0.28 -0.37 1.73 0.35 0.52 0.00 0.00 175.17 177.67 1mrw n THR 26 N 4.33 0.81 0.71 1.71 -2.24 -1.26 -2.40 114.28 115.94 1mrw n THR 26 Ca 0.00 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1mrw n THR 26 Cb 0.42 -1.15 0.27 0.00 -2.10 0.00 0.00 70.33 67.78 1mrw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mrw n GLY 27 N 0.05 -1.44 3.65 3.38 0.00 -1.26 -4.84 105.19 104.73 1mrw n GLY 27 Ca 0.02 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1mrw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrw s ALA 28 N -3.10 3.56 0.23 4.61 0.00 -1.01 -4.95 121.76 121.10 1mrw s ALA 28 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1mrw s ALA 28 Cb 0.15 -2.83 0.24 0.00 0.00 0.00 0.00 23.12 20.67 1mrw s ALA 28 CO 0.68 -0.52 1.58 -0.44 0.00 0.00 0.00 175.76 177.06 1mrw h ASP 29 N 7.60 0.48 -1.73 0.00 3.32 -1.88 -1.11 116.42 123.10 1mrw h ASP 29 Ca -0.32 -0.23 -0.55 0.00 0.02 0.00 0.00 57.03 55.94 1mrw h ASP 29 Cb 1.15 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.48 1mrw h ASP 29 CO 0.73 0.89 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.82 1mrw s ASP 30 N -6.88 4.55 -0.24 6.45 1.01 -1.26 -3.54 116.67 116.76 1mrw s ASP 30 Ca -0.06 -0.93 -0.09 0.00 0.71 0.00 0.00 52.55 52.18 1mrw s ASP 30 Cb 0.12 -0.58 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 1mrw s ASP 30 CO 0.81 -0.43 0.11 -0.89 0.21 0.00 0.00 175.17 174.99 1mrw s THR 31 N -2.52 4.88 -0.10 -1.27 2.01 -1.26 -3.07 115.64 114.31 1mrw s THR 31 Ca 0.40 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1mrw s THR 31 Cb 0.01 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.26 1mrw s THR 31 CO 0.23 0.35 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 1mrw s VAL 32 N 1.23 1.49 0.09 3.82 1.01 -0.26 -0.81 120.40 126.97 1mrw s VAL 32 Ca 0.06 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1mrw s VAL 32 Cb -0.14 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1mrw s VAL 32 CO 0.05 0.44 -0.26 -0.63 0.00 0.00 0.00 175.10 174.69 1mrw s ILE 33 N 0.91 2.18 1.04 2.22 -1.09 0.39 -0.01 121.20 126.84 1mrw s ILE 33 Ca -0.08 -1.60 -0.12 0.00 -2.23 0.00 0.00 60.65 56.62 1mrw s ILE 33 Cb -0.15 -1.90 0.20 0.00 -1.58 0.00 0.00 42.46 39.02 1mrw s ILE 33 CO -0.00 0.19 0.99 -1.84 -1.23 0.00 0.00 174.94 173.06 1mrw n GLU 34 N 1.27 -1.37 -1.62 2.79 0.28 -1.26 -1.73 120.64 119.00 1mrw n GLU 34 Ca -0.18 -0.35 -0.51 0.00 -0.16 0.00 0.00 57.16 55.96 1mrw n GLU 34 Cb 0.53 -2.23 -0.06 0.00 1.43 0.00 0.00 31.44 31.11 1mrw n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1mrw n GLU 35 N -4.31 1.37 -3.51 3.44 -0.58 -1.21 -4.57 120.64 111.27 1mrw n GLU 35 Ca 0.07 0.50 -0.09 0.00 -0.42 0.00 0.00 57.16 57.22 1mrw n GLU 35 Cb 0.53 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.21 1mrw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mrw s MET 36 N 1.10 1.00 0.04 3.49 0.23 -1.26 -5.05 119.30 118.84 1mrw s MET 36 Ca 0.86 -0.40 -0.24 0.00 -1.03 0.00 0.00 55.69 54.88 1mrw s MET 36 Cb -0.91 0.44 -0.06 0.00 -1.53 0.00 0.00 34.83 32.78 1mrw s MET 36 CO 0.48 -0.44 0.71 0.45 -2.03 0.00 0.00 175.02 174.19 1mrw s SER 37 N -2.60 7.15 0.04 -1.18 0.15 -1.26 -5.05 113.70 110.94 1mrw s SER 37 Ca 0.05 1.37 0.03 0.00 0.70 0.00 0.00 55.95 58.09 1mrw s SER 37 Cb -0.01 -2.44 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1mrw s SER 37 CO -0.09 0.05 -0.09 -0.76 1.20 0.00 0.00 173.24 173.55 1mrw s LEU 38 N -0.15 2.23 0.72 3.45 1.43 -1.26 -4.92 118.68 120.18 1mrw s LEU 38 Ca 0.36 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1mrw s LEU 38 Cb -0.20 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.78 1mrw s LEU 38 CO 0.21 -0.14 1.07 -2.84 0.23 0.00 0.00 176.35 174.88 1mrw s PRO 39 N -1.43 2.77 0.32 1.29 0.02 -1.26 -4.95 135.00 131.76 1mrw s PRO 39 Ca -0.07 0.85 0.00 0.00 0.02 0.00 0.00 61.00 61.81 1mrw s PRO 39 Cb -0.09 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.45 1mrw s PRO 39 CO 0.01 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 1mrw n GLY 40 N -2.09 -2.47 3.95 0.52 0.00 -1.26 -4.92 105.19 98.91 1mrw n GLY 40 Ca 0.07 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 1mrw n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mrw s ARG 41 N -0.56 2.96 0.16 1.61 6.06 -1.26 -5.10 118.95 122.82 1mrw s ARG 41 Ca 0.00 -0.44 -0.11 0.00 -2.50 0.00 0.00 55.73 52.69 1mrw s ARG 41 Cb 0.00 -2.49 -0.00 0.00 0.06 0.00 0.00 34.95 32.52 1mrw s ARG 41 CO 0.00 -0.41 0.32 1.67 -2.50 0.00 0.00 175.30 174.38 1mrw s TRP 42 N -2.67 0.27 0.03 5.12 1.48 -1.26 -4.47 118.94 117.44 1mrw s TRP 42 Ca 0.51 -0.63 0.01 0.00 -1.06 0.00 0.00 56.10 54.92 1mrw s TRP 42 Cb -0.10 0.03 -0.02 0.00 -1.16 0.00 0.00 33.47 32.22 1mrw s TRP 42 CO 0.39 -0.74 -0.04 -1.59 -4.06 0.00 0.00 176.95 170.91 1mrw s LYS 43 N -3.94 0.38 0.69 3.25 -2.85 -1.03 -4.93 119.74 111.30 1mrw s LYS 43 Ca 0.14 -0.65 -0.15 0.00 -1.00 0.00 0.00 55.97 54.32 1mrw s LYS 43 Cb 0.03 -0.02 0.02 0.00 -2.06 0.00 0.00 37.83 35.79 1mrw s LYS 43 CO -0.02 -0.02 1.13 -2.14 0.10 0.00 0.00 175.35 174.40 1mrw s PRO 44 N -1.48 2.58 -0.13 1.78 0.02 -1.26 -0.67 135.00 135.84 1mrw s PRO 44 Ca -0.14 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 1mrw s PRO 44 Cb -0.10 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.57 1mrw s PRO 44 CO -0.01 -1.44 0.69 0.21 -0.33 0.00 0.00 177.00 176.13 1mrw s LYS 45 N -4.11 0.98 -0.14 5.54 2.20 -0.51 -4.80 119.74 118.90 1mrw s LYS 45 Ca 0.68 0.51 -0.02 0.00 -0.36 0.00 0.00 55.97 56.79 1mrw s LYS 45 Cb -0.22 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1mrw s LYS 45 CO 0.43 -0.25 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.45 1mrw s MET 46 N -0.65 3.50 0.05 4.03 -1.94 -1.26 -0.51 119.30 122.52 1mrw s MET 46 Ca -0.07 -0.59 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 1mrw s MET 46 Cb -0.02 -2.78 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 1mrw s MET 46 CO 0.07 0.25 -0.17 0.96 -0.01 0.00 0.00 175.02 176.12 1mrw s ILE 47 N 0.29 1.39 0.06 2.53 -4.36 -0.72 -4.97 121.20 115.42 1mrw s ILE 47 Ca -0.06 -1.15 -0.03 0.00 -0.26 0.00 0.00 60.65 59.15 1mrw s ILE 47 Cb -0.15 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.29 1mrw s ILE 47 CO 0.04 0.07 0.02 -0.83 0.24 0.00 0.00 174.94 174.47 1mrw s GLY 48 N -1.26 0.38 0.00 6.27 0.00 -1.26 -0.84 107.32 110.61 1mrw s GLY 48 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1mrw s GLY 48 CO 0.02 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.55 1mrw n GLY 49 N 0.15 2.99 0.32 0.20 0.00 0.78 -4.94 105.19 104.69 1mrw n GLY 49 Ca -0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1mrw n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mrw h ILE 50 N 0.00 0.17 -0.03 -0.61 1.08 -2.04 -0.32 117.51 115.75 1mrw h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1mrw h ILE 50 Cb 0.00 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 1mrw h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1mrw n GLY 51 N -1.48 -0.43 0.00 5.37 0.00 -1.26 -5.03 105.19 102.35 1mrw n GLY 51 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1mrw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mrw n GLY 52 N 1.05 0.18 3.62 -0.02 0.00 -0.13 -5.04 105.19 104.84 1mrw n GLY 52 Ca 0.19 -1.97 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 1mrw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mrw s PHE 53 N 0.00 2.76 0.06 1.61 0.40 -1.26 -0.16 117.98 121.40 1mrw s PHE 53 Ca 0.00 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 1mrw s PHE 53 Cb 0.00 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1mrw s PHE 53 CO 0.00 0.50 -0.09 0.96 0.70 0.00 0.00 175.22 177.29 1mrw s ILE 54 N -1.62 0.70 -0.06 0.64 -4.36 -0.02 -4.97 121.20 111.51 1mrw s ILE 54 Ca 0.26 -1.32 -0.12 0.00 -0.26 0.00 0.00 60.65 59.20 1mrw s ILE 54 Cb -0.10 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1mrw s ILE 54 CO 0.17 -0.46 0.31 -0.75 0.24 0.00 0.00 174.94 174.45 1mrw s LYS 55 N -2.12 3.83 0.27 0.37 2.20 -1.26 -1.76 119.74 121.28 1mrw s LYS 55 Ca -0.03 0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1mrw s LYS 55 Cb -0.07 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 1mrw s LYS 55 CO -0.00 0.64 0.15 0.14 -0.36 0.00 0.00 175.35 175.91 1mrw s VAL 56 N -0.80 0.27 -0.20 4.02 -7.23 0.33 -4.47 120.40 112.31 1mrw s VAL 56 Ca 0.20 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1mrw s VAL 56 Cb -0.15 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1mrw s VAL 56 CO 0.09 0.00 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.73 1mrw s ARG 57 N -3.94 3.55 -0.21 4.82 0.52 0.26 -1.43 118.95 122.53 1mrw s ARG 57 Ca 0.37 -0.55 -0.20 0.00 -0.52 0.00 0.00 55.73 54.83 1mrw s ARG 57 Cb 0.06 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1mrw s ARG 57 CO 0.16 -0.01 0.61 -1.14 0.02 0.00 0.00 175.30 174.94 1mrw s GLN 58 N 1.02 4.19 -0.08 3.54 0.74 0.16 -0.71 119.66 128.52 1mrw s GLN 58 Ca 0.01 0.56 0.04 0.00 0.05 0.00 0.00 55.36 56.02 1mrw s GLN 58 Cb -0.14 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.37 1mrw s GLN 58 CO 0.01 -0.25 -0.20 0.71 -0.55 0.00 0.00 175.29 175.00 1mrw s TYR 59 N 1.96 2.59 0.32 1.67 1.51 -0.30 -2.47 117.35 122.64 1mrw s TYR 59 Ca 0.27 -0.69 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 1mrw s TYR 59 Cb -0.16 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1mrw s TYR 59 CO 0.10 -0.20 0.38 -0.51 -1.11 0.00 0.00 175.55 174.21 1mrw s ASP 60 N -0.02 5.71 -1.46 2.29 1.01 -1.26 -0.54 116.67 122.40 1mrw s ASP 60 Ca -0.06 -0.29 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 1mrw s ASP 60 Cb -0.15 -1.19 0.02 0.00 1.01 0.00 0.00 42.92 42.61 1mrw s ASP 60 CO 0.05 -0.35 0.44 0.00 0.21 0.00 0.00 175.17 175.52 1mrw n GLN 61 N -1.49 -3.13 -3.67 8.23 6.02 -1.16 -4.89 117.38 117.28 1mrw n GLN 61 Ca -0.02 0.38 -0.37 0.00 -0.01 0.00 0.00 57.00 56.98 1mrw n GLN 61 Cb 0.59 -4.54 -0.07 0.00 1.02 0.00 0.00 30.24 27.24 1mrw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1mrw s ILE 62 N -3.90 5.32 -0.12 5.09 -1.09 0.29 -4.76 121.20 122.03 1mrw s ILE 62 Ca 0.11 0.46 -0.16 0.00 -2.23 0.00 0.00 60.65 58.83 1mrw s ILE 62 Cb -0.06 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1mrw s ILE 62 CO 0.90 0.52 0.40 -0.63 -1.23 0.00 0.00 174.94 174.90 1mrw s ILE 63 N -0.43 5.21 -0.05 2.92 1.01 -1.26 -1.37 121.20 127.24 1mrw s ILE 63 Ca 0.17 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.62 1mrw s ILE 63 Cb -0.13 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1mrw s ILE 63 CO 0.05 0.39 -0.09 -0.63 0.00 0.00 0.00 174.94 174.66 1mrw s ILE 64 N 0.31 0.86 -0.26 2.92 1.09 0.68 -4.39 121.20 122.41 1mrw s ILE 64 Ca 0.22 -0.33 -0.12 0.00 -1.10 0.00 0.00 60.65 59.31 1mrw s ILE 64 Cb -0.14 -0.81 -0.05 0.00 -1.06 0.00 0.00 42.46 40.40 1mrw s ILE 64 CO 0.08 0.29 0.25 -0.70 -0.10 0.00 0.00 174.94 174.76 1mrw s GLU 65 N 0.67 4.02 -0.18 2.79 2.12 -0.38 -0.77 118.70 126.96 1mrw s GLU 65 Ca -0.12 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1mrw s GLU 65 Cb -0.14 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.66 1mrw s GLU 65 CO 0.02 -0.14 -0.14 0.42 -0.54 0.00 0.00 175.26 174.88 1mrw s ILE 66 N 1.64 1.77 -1.70 -3.70 1.01 0.96 -1.21 121.20 119.97 1mrw s ILE 66 Ca 0.10 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1mrw s ILE 66 Cb -0.15 -1.72 0.14 0.00 0.01 0.00 0.00 42.46 40.74 1mrw s ILE 66 CO 0.09 0.35 0.56 0.00 0.00 0.00 0.00 174.94 175.94 1mrw n GLY 68 N -1.56 2.46 3.73 0.00 0.00 -1.26 -5.02 105.19 103.53 1mrw n GLY 68 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1mrw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mrw s HIS 69 N -2.22 3.45 -0.10 1.61 4.02 0.12 -5.07 115.29 117.11 1mrw s HIS 69 Ca 0.00 0.56 -0.18 0.00 1.02 0.00 0.00 55.06 56.46 1mrw s HIS 69 Cb 0.00 -2.32 -0.04 0.00 -1.02 0.00 0.00 32.58 29.19 1mrw s HIS 69 CO 0.00 0.24 0.47 0.15 1.02 0.00 0.00 174.74 176.62 1mrw s LYS 70 N 0.47 4.28 0.04 1.40 1.02 -1.26 -0.03 119.74 125.67 1mrw s LYS 70 Ca 0.15 0.46 0.04 0.00 0.02 0.00 0.00 55.97 56.64 1mrw s LYS 70 Cb -0.13 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1mrw s LYS 70 CO 0.03 0.24 -0.12 0.00 -0.92 0.00 0.00 175.35 174.58 1mrw s ALA 71 N 0.34 1.02 -0.04 5.17 0.00 0.05 -4.91 121.76 123.38 1mrw s ALA 71 Ca 0.26 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1mrw s ALA 71 Cb -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1mrw s ALA 71 CO 0.11 0.17 -0.22 0.42 0.00 0.00 0.00 175.76 176.24 1mrw s ILE 72 N -0.89 1.77 -1.34 0.00 1.09 -1.26 -0.23 121.20 120.34 1mrw s ILE 72 Ca -0.00 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 1mrw s ILE 72 Cb -0.08 -1.49 0.00 0.00 -1.06 0.00 0.00 42.46 39.83 1mrw s ILE 72 CO 0.01 0.50 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 1mrw n GLY 73 N 2.87 -1.33 3.73 6.18 0.00 -0.47 -4.91 105.19 111.27 1mrw n GLY 73 Ca -0.17 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1mrw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrw s THR 74 N -2.84 4.23 -0.07 2.61 2.01 -1.26 -0.55 115.64 119.77 1mrw s THR 74 Ca 0.00 1.89 0.03 0.00 0.31 0.00 0.00 61.69 63.92 1mrw s THR 74 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1mrw s THR 74 CO 0.00 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 1mrw s VAL 75 N -0.13 1.33 -0.14 3.82 1.01 0.29 -4.47 120.40 122.12 1mrw s VAL 75 Ca 0.48 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1mrw s VAL 75 Cb -0.26 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1mrw s VAL 75 CO 0.32 0.40 0.15 -0.76 0.00 0.00 0.00 175.10 175.21 1mrw s LEU 76 N 0.59 4.34 -0.14 3.92 1.43 0.01 -1.14 118.68 127.69 1mrw s LEU 76 Ca -0.15 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1mrw s LEU 76 Cb -0.16 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1mrw s LEU 76 CO 0.05 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 176.07 1mrw s VAL 77 N -0.63 1.99 0.00 -1.59 1.01 0.11 -0.46 120.40 120.83 1mrw s VAL 77 Ca 0.14 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1mrw s VAL 77 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1mrw s VAL 77 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1mrw n GLY 78 N 4.11 0.98 2.22 4.51 0.00 -0.71 -0.58 105.19 115.72 1mrw n GLY 78 Ca -0.20 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1mrw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mrw n PRO 79 N 0.00 1.99 -2.83 1.61 -0.04 -1.26 -3.32 135.00 131.15 1mrw n PRO 79 Ca 0.00 -1.12 -0.39 0.00 -0.04 0.00 0.00 63.50 61.96 1mrw n PRO 79 Cb 0.00 -2.12 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 1mrw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mrw s THR 80 N 1.85 4.20 0.30 0.52 -1.32 -1.26 -4.95 115.64 114.98 1mrw s THR 80 Ca 0.53 1.89 0.25 0.00 -1.21 0.00 0.00 61.69 63.15 1mrw s THR 80 Cb 0.22 -4.17 0.25 0.00 -1.51 0.00 0.00 72.50 67.28 1mrw s THR 80 CO -0.01 0.39 1.95 -0.65 -2.21 0.00 0.00 174.62 174.08 1mrw h PRO 81 N 3.87 0.00 -3.07 7.08 0.11 -1.98 -3.44 132.00 134.56 1mrw h PRO 81 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1mrw h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 1mrw h PRO 81 CO 0.67 0.19 -0.35 0.08 -0.21 0.00 0.00 178.00 178.37 1mrw s VAL 82 N -3.96 0.03 0.09 3.15 1.01 -1.26 -5.12 120.40 114.33 1mrw s VAL 82 Ca -0.01 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1mrw s VAL 82 Cb 0.12 -0.48 -0.07 0.00 0.00 0.00 0.00 36.38 35.95 1mrw s VAL 82 CO 0.62 -0.11 1.38 0.20 0.00 0.00 0.00 175.10 177.18 1mrw s ASN 83 N -0.43 6.85 -0.13 3.32 0.01 -1.26 -4.85 114.94 118.45 1mrw s ASN 83 Ca -0.05 2.27 0.03 0.00 -0.71 0.00 0.00 52.86 54.39 1mrw s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1mrw s ASN 83 CO 0.02 -0.65 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.11 1mrw s ILE 84 N 1.31 2.17 -0.43 0.60 1.01 0.98 -0.48 121.20 126.36 1mrw s ILE 84 Ca 0.64 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1mrw s ILE 84 Cb -0.35 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.29 1mrw s ILE 84 CO 0.30 0.55 0.34 -0.63 0.00 0.00 0.00 174.94 175.50 1mrw s ILE 85 N 0.68 5.23 0.56 2.92 -1.09 0.50 -1.11 121.20 128.90 1mrw s ILE 85 Ca -0.10 -0.76 -0.03 0.00 -2.23 0.00 0.00 60.65 57.53 1mrw s ILE 85 Cb -0.16 -4.00 0.12 0.00 -1.58 0.00 0.00 42.46 36.83 1mrw s ILE 85 CO 0.01 -0.41 0.77 0.61 -1.23 0.00 0.00 174.94 174.69 1mrw n GLY 86 N 5.17 0.09 0.32 6.18 0.00 -1.17 -1.41 105.19 114.36 1mrw n GLY 86 Ca -0.11 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.05 1mrw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mrw h ARG 87 N 0.00 0.45 -0.36 1.61 3.08 -1.32 -0.41 114.38 117.43 1mrw h ARG 87 Ca -0.25 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.87 1mrw h ARG 87 Cb 0.85 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1mrw h ARG 87 CO 0.24 0.30 0.25 -2.95 -1.07 0.00 0.00 179.97 176.74 1mrw h ASN 88 N 0.46 0.04 0.00 7.04 -1.07 -1.82 -1.89 115.58 118.34 1mrw h ASN 88 Ca 0.17 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.24 1mrw h ASN 88 Cb 0.10 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.28 1mrw h ASN 88 CO -0.04 0.03 -2.14 0.18 0.07 0.00 0.00 177.43 175.53 1mrw n LEU 89 N -4.44 0.07 -0.06 6.14 4.77 -0.89 -4.38 117.00 118.21 1mrw n LEU 89 Ca 0.05 -0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1mrw n LEU 89 Cb 0.40 0.38 0.37 0.00 -2.33 0.00 0.00 43.42 42.24 1mrw n LEU 89 CO 0.36 0.42 1.18 -0.07 -1.33 0.00 0.00 177.39 177.95 1mrw h LEU 90 N 0.00 0.58 -0.70 2.23 3.38 -0.74 -1.85 115.31 118.21 1mrw h LEU 90 Ca -0.45 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1mrw h LEU 90 Cb 2.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 1mrw h LEU 90 CO 0.02 0.43 0.20 0.71 0.09 0.00 0.00 178.44 179.89 1mrw h THR 91 N 0.69 1.26 0.00 0.22 1.35 -1.57 -1.79 112.91 113.07 1mrw h THR 91 Ca 0.19 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 1mrw h THR 91 Cb -0.07 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1mrw h THR 91 CO -0.04 0.36 -0.07 1.56 -0.25 0.00 0.00 175.52 177.08 1mrw h GLN 92 N 1.04 0.00 -0.56 4.72 1.08 -1.54 -1.30 115.11 118.56 1mrw h GLN 92 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1mrw h GLN 92 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1mrw h GLN 92 CO -0.00 0.07 0.00 0.44 -0.95 0.00 0.00 178.83 178.39 1mrw n ILE 93 N -3.85 0.74 -2.07 2.54 -5.35 -1.10 -4.94 119.36 105.34 1mrw n ILE 93 Ca -0.02 -0.82 -0.09 0.00 -0.27 0.00 0.00 62.75 61.54 1mrw n ILE 93 Cb 0.17 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.66 1mrw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mrw n GLY 94 N 1.53 0.12 3.72 3.28 0.00 -0.49 -5.00 105.19 108.35 1mrw n GLY 94 Ca 0.21 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1mrw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrw s THR 96 N 0.56 0.71 -0.17 0.00 -4.23 -1.26 -4.66 115.64 106.59 1mrw s THR 96 Ca 0.49 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1mrw s THR 96 Cb -0.22 -2.03 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 1mrw s THR 96 CO 0.28 -0.56 0.16 -0.76 -0.54 0.00 0.00 174.62 173.20 1mrw s LEU 97 N -3.15 4.27 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.64 1mrw s LEU 97 Ca 0.21 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1mrw s LEU 97 Cb 0.06 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1mrw s LEU 97 CO 0.02 0.24 -0.05 0.20 0.23 0.00 0.00 176.35 176.99 1mrw s ASN 98 N -0.05 0.75 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.51 1mrw s ASN 98 Ca 0.11 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 1mrw s ASN 98 Cb -0.12 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 1mrw s ASN 98 CO 0.01 0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.76