#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6o s GLN 2 N 0.00 3.85 -0.30 0.54 0.74 -1.26 -5.07 119.66 118.16 3i6o s GLN 2 Ca 0.00 -0.37 -0.07 0.00 0.05 0.00 0.00 55.36 54.96 3i6o s GLN 2 Cb 0.00 -3.52 0.01 0.00 1.10 0.00 0.00 33.01 30.60 3i6o s GLN 2 CO 0.00 -0.15 0.10 0.42 -0.55 0.00 0.00 175.29 175.10 3i6o s ILE 3 N 1.62 4.06 0.83 -2.34 1.01 -1.26 -5.09 121.20 120.03 3i6o s ILE 3 Ca 0.07 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3i6o s ILE 3 Cb -0.15 -3.12 0.09 0.00 0.01 0.00 0.00 42.46 39.29 3i6o s ILE 3 CO 0.08 0.04 1.19 0.42 0.00 0.00 0.00 174.94 176.67 3i6o s THR 4 N 1.51 2.00 -0.18 2.92 -4.23 -1.26 -5.01 115.64 111.39 3i6o s THR 4 Ca 0.02 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.68 3i6o s THR 4 Cb -0.17 -2.98 0.37 0.00 1.34 0.00 0.00 72.50 71.05 3i6o s THR 4 CO 0.03 0.00 1.19 0.18 -0.54 0.00 0.00 174.62 175.48 3i6o n LEU 5 N -3.39 2.56 0.19 4.79 4.77 -1.26 -4.58 117.00 120.09 3i6o n LEU 5 Ca 0.08 -3.57 0.05 0.00 -0.03 0.00 0.00 56.01 52.54 3i6o n LEU 5 Cb 0.61 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.69 3i6o n LEU 5 CO 0.56 1.12 0.91 -0.50 -1.33 0.00 0.00 177.39 178.15 3i6o h TRP 6 N 0.58 0.07 -2.60 -1.77 4.06 -2.05 -3.44 115.95 110.80 3i6o h TRP 6 Ca 0.00 -0.01 -0.51 0.00 2.06 0.00 0.00 58.89 60.44 3i6o h TRP 6 Cb 1.00 -0.02 -0.14 0.00 -1.00 0.00 0.00 29.16 29.00 3i6o h TRP 6 CO 0.44 0.22 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.36 3i6o s LYS 7 N -4.70 1.73 0.30 0.49 -2.85 -1.26 -5.11 119.74 108.35 3i6o s LYS 7 Ca -0.04 -1.97 -0.30 0.00 -1.00 0.00 0.00 55.97 52.66 3i6o s LYS 7 Cb 0.16 -0.98 -0.12 0.00 -2.06 0.00 0.00 37.83 34.83 3i6o s LYS 7 CO 0.71 -0.19 1.51 0.54 0.10 0.00 0.00 175.35 178.01 3i6o n ARG 8 N -0.76 2.52 -2.64 1.78 1.74 -1.26 -4.87 116.66 113.17 3i6o n ARG 8 Ca -0.03 0.89 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 3i6o n ARG 8 Cb 0.67 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 3i6o n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i6o n PRO 9 N 1.64 3.23 -3.59 5.56 -0.04 -1.26 -4.95 135.00 135.60 3i6o n PRO 9 Ca 0.07 -3.40 -0.37 0.00 -0.04 0.00 0.00 63.50 59.76 3i6o n PRO 9 Cb 0.36 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 3i6o n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i6o s LEU 10 N 3.48 4.39 0.15 1.53 1.43 -1.26 -1.05 118.68 127.35 3i6o s LEU 10 Ca 0.51 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 3i6o s LEU 10 Cb 0.03 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3i6o s LEU 10 CO 0.06 0.28 -0.01 0.68 0.23 0.00 0.00 176.35 177.58 3i6o s VAL 11 N -0.63 0.65 0.05 -1.59 -7.23 -0.00 -4.95 120.40 106.70 3i6o s VAL 11 Ca 0.20 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.20 3i6o s VAL 11 Cb -0.15 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 3i6o s VAL 11 CO 0.09 -0.57 0.60 -0.89 -0.31 0.00 0.00 175.10 174.02 3i6o s THR 12 N -3.67 4.77 0.19 5.32 2.01 -1.26 -0.94 115.64 122.06 3i6o s THR 12 Ca 0.21 1.28 0.09 0.00 0.31 0.00 0.00 61.69 63.58 3i6o s THR 12 Cb 0.06 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3i6o s THR 12 CO 0.02 0.50 -0.19 0.27 -0.69 0.00 0.00 174.62 174.53 3i6o s ILE 13 N -0.75 2.01 -0.15 1.82 -4.36 0.18 -1.37 121.20 118.57 3i6o s ILE 13 Ca 0.30 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.66 3i6o s ILE 13 Cb -0.19 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3i6o s ILE 13 CO 0.19 -0.33 -0.20 -0.75 0.24 0.00 0.00 174.94 174.09 3i6o s LYS 14 N -3.01 2.82 -0.09 0.37 2.20 0.04 -1.29 119.74 120.78 3i6o s LYS 14 Ca 0.20 -0.77 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 3i6o s LYS 14 Cb -0.05 -2.35 0.04 0.00 -1.51 0.00 0.00 37.83 33.95 3i6o s LYS 14 CO 0.08 -0.10 0.22 -1.50 -0.36 0.00 0.00 175.35 173.70 3i6o s ILE 15 N 1.03 -0.03 -1.35 5.43 2.07 -0.04 -1.59 121.20 126.73 3i6o s ILE 15 Ca -0.03 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.25 3i6o s ILE 15 Cb -0.14 -0.33 0.04 0.00 0.13 0.00 0.00 42.46 42.15 3i6o s ILE 15 CO -0.06 0.04 0.45 0.61 -1.91 0.00 0.00 174.94 174.07 3i6o n GLY 16 N 3.76 -0.50 2.83 1.50 0.00 -1.26 -0.93 105.19 110.60 3i6o n GLY 16 Ca -0.21 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i6o n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6o n GLY 17 N -1.23 0.62 3.58 -0.02 0.00 -1.26 -5.02 105.19 101.86 3i6o n GLY 17 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3i6o n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6o s GLN 18 N -0.31 2.59 0.01 1.61 -0.21 -0.10 -5.11 119.66 118.14 3i6o s GLN 18 Ca 0.00 -0.68 -0.21 0.00 0.02 0.00 0.00 55.36 54.50 3i6o s GLN 18 Cb 0.00 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 3i6o s GLN 18 CO 0.00 0.62 0.61 -0.51 -2.12 0.00 0.00 175.29 173.89 3i6o s LEU 19 N -1.19 4.43 0.06 2.90 1.43 -1.26 -0.86 118.68 124.19 3i6o s LEU 19 Ca 0.15 1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 3i6o s LEU 19 Cb -0.11 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 3i6o s LEU 19 CO 0.05 0.11 0.05 -0.54 0.23 0.00 0.00 176.35 176.25 3i6o s LYS 20 N -0.26 0.67 -0.07 1.70 1.02 -0.41 -4.99 119.74 117.40 3i6o s LYS 20 Ca 0.32 -1.06 -0.10 0.00 0.02 0.00 0.00 55.97 55.14 3i6o s LYS 20 Cb -0.19 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.33 3i6o s LYS 20 CO 0.18 -0.16 0.25 -2.00 -0.92 0.00 0.00 175.35 172.70 3i6o s GLU 21 N -3.67 3.64 0.03 1.68 2.12 -1.26 -0.65 118.70 120.59 3i6o s GLU 21 Ca 0.04 0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 3i6o s GLU 21 Cb 0.05 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 3i6o s GLU 21 CO -0.09 0.74 0.16 0.00 -0.54 0.00 0.00 175.26 175.52 3i6o s ALA 22 N -1.06 -0.28 -0.15 6.30 0.00 -0.11 -4.48 121.76 121.97 3i6o s ALA 22 Ca 0.19 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 3i6o s ALA 22 Cb -0.14 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3i6o s ALA 22 CO 0.08 -0.31 0.46 -1.17 0.00 0.00 0.00 175.76 174.82 3i6o s LEU 23 N -1.92 4.23 -0.39 0.00 2.96 0.13 -0.82 118.68 122.87 3i6o s LEU 23 Ca -0.07 0.71 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 3i6o s LEU 23 Cb -0.03 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 44.04 3i6o s LEU 23 CO -0.03 -0.04 1.30 -0.76 -1.32 0.00 0.00 176.35 175.51 3i6o s LEU 24 N 0.91 3.71 -0.40 -0.68 1.43 -0.22 -0.69 118.68 122.74 3i6o s LEU 24 Ca 0.24 0.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3i6o s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3i6o s LEU 24 CO 0.09 -1.26 0.16 -0.62 0.23 0.00 0.00 176.35 174.96 3i6o s ASP 25 N 3.15 4.19 0.46 2.29 -1.08 -0.40 -4.78 116.67 120.50 3i6o s ASP 25 Ca 0.56 -2.38 0.31 0.00 -0.52 0.00 0.00 52.55 50.53 3i6o s ASP 25 Cb -0.13 -1.30 1.40 0.00 -1.46 0.00 0.00 42.92 41.43 3i6o s ASP 25 CO 0.29 -0.32 1.94 0.71 0.52 0.00 0.00 175.17 178.30 3i6o h THR 26 N 5.94 0.00 -0.06 1.71 1.35 -1.93 -2.41 112.91 117.50 3i6o h THR 26 Ca -0.06 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3i6o h THR 26 Cb 0.96 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3i6o h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3i6o n GLY 27 N -0.26 -0.22 3.50 5.82 0.00 -1.26 -4.79 105.19 107.98 3i6o n GLY 27 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 3i6o n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6o s ALA 28 N -1.93 3.21 0.21 4.61 0.00 -0.91 -4.99 121.76 121.96 3i6o s ALA 28 Ca 0.36 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 3i6o s ALA 28 Cb 0.19 -1.99 0.16 0.00 0.00 0.00 0.00 23.12 21.48 3i6o s ALA 28 CO 0.30 -0.24 1.54 -0.44 0.00 0.00 0.00 175.76 176.91 3i6o h ASP 29 N 7.68 0.58 -2.75 0.00 3.32 -1.86 0.16 116.42 123.55 3i6o h ASP 29 Ca -0.37 -0.29 -0.52 0.00 0.02 0.00 0.00 57.03 55.87 3i6o h ASP 29 Cb 1.18 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 3i6o h ASP 29 CO 0.61 0.99 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.65 3i6o s ASP 30 N -6.90 2.91 -0.19 6.45 1.01 -1.26 -2.32 116.67 116.37 3i6o s ASP 30 Ca -0.07 -1.24 -0.20 0.00 0.71 0.00 0.00 52.55 51.75 3i6o s ASP 30 Cb 0.12 -0.20 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 3i6o s ASP 30 CO 0.83 -0.38 0.58 -0.89 0.21 0.00 0.00 175.17 175.51 3i6o s THR 31 N -2.99 5.07 -0.10 -1.27 2.01 -1.26 -3.66 115.64 113.44 3i6o s THR 31 Ca 0.32 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.40 3i6o s THR 31 Cb 0.05 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.69 3i6o s THR 31 CO 0.14 0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.45 3i6o s VAL 32 N 1.66 1.06 0.05 3.82 1.01 -0.39 -1.10 120.40 126.50 3i6o s VAL 32 Ca 0.27 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.00 3i6o s VAL 32 Cb -0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3i6o s VAL 32 CO 0.10 0.37 -0.25 -0.63 0.00 0.00 0.00 175.10 174.68 3i6o s ILE 33 N 1.47 2.06 1.04 2.22 -1.09 0.16 -0.76 121.20 126.30 3i6o s ILE 33 Ca 0.01 -1.37 -0.13 0.00 -2.23 0.00 0.00 60.65 56.93 3i6o s ILE 33 Cb -0.13 -1.77 0.17 0.00 -1.58 0.00 0.00 42.46 39.14 3i6o s ILE 33 CO -0.06 0.34 0.77 -1.84 -1.23 0.00 0.00 174.94 172.92 3i6o n GLU 34 N 1.77 -1.28 -1.67 2.79 0.28 -1.25 -1.33 120.64 119.95 3i6o n GLU 34 Ca -0.17 -0.33 -0.46 0.00 -0.16 0.00 0.00 57.16 56.04 3i6o n GLU 34 Cb 0.52 -2.10 -0.04 0.00 1.43 0.00 0.00 31.44 31.26 3i6o n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3i6o n GLU 35 N -3.64 2.10 -3.56 3.44 -0.58 -1.24 -4.53 120.64 112.63 3i6o n GLU 35 Ca 0.06 0.75 -0.08 0.00 -0.42 0.00 0.00 57.16 57.47 3i6o n GLU 35 Cb 0.55 -2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 28.91 3i6o n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i6o s MET 36 N 0.43 1.05 0.06 3.49 0.23 -1.26 -5.04 119.30 118.26 3i6o s MET 36 Ca 0.75 -0.45 -0.07 0.00 -1.03 0.00 0.00 55.69 54.89 3i6o s MET 36 Cb -0.67 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.02 3i6o s MET 36 CO 0.42 -0.47 0.33 -1.12 -2.03 0.00 0.00 175.02 172.15 3i6o s SER 37 N -2.66 6.53 0.06 -1.18 0.01 -1.26 -5.02 113.70 110.17 3i6o s SER 37 Ca 0.06 0.62 0.04 0.00 1.31 0.00 0.00 55.95 57.98 3i6o s SER 37 Cb -0.01 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.08 3i6o s SER 37 CO -0.07 0.18 -0.12 -0.76 0.41 0.00 0.00 173.24 172.88 3i6o s LEU 38 N -2.05 2.25 0.58 2.44 1.43 -1.26 -4.91 118.68 117.17 3i6o s LEU 38 Ca 0.33 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3i6o s LEU 38 Cb -0.13 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 3i6o s LEU 38 CO 0.19 -0.10 1.00 -2.16 0.23 0.00 0.00 176.35 175.51 3i6o s PRO 39 N -1.58 3.66 0.38 1.29 0.04 -1.26 -4.94 135.00 132.60 3i6o s PRO 39 Ca -0.04 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3i6o s PRO 39 Cb -0.10 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3i6o s PRO 39 CO 0.02 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3i6o n GLY 40 N -2.47 -1.83 3.86 0.56 0.00 -1.26 -4.98 105.19 99.07 3i6o n GLY 40 Ca 0.06 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3i6o n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6o s ARG 41 N 0.00 3.69 0.15 1.61 0.52 -1.26 -5.07 118.95 118.58 3i6o s ARG 41 Ca 0.00 0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 3i6o s ARG 41 Cb 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3i6o s ARG 41 CO 0.00 -0.50 0.31 1.67 0.02 0.00 0.00 175.30 176.81 3i6o s TRP 42 N -2.98 0.19 0.02 -0.53 1.48 -1.26 -4.41 118.94 111.45 3i6o s TRP 42 Ca 0.57 -0.56 -0.00 0.00 -1.06 0.00 0.00 56.10 55.04 3i6o s TRP 42 Cb -0.11 0.05 -0.02 0.00 -1.16 0.00 0.00 33.47 32.23 3i6o s TRP 42 CO 0.46 -0.71 -0.03 -1.59 -4.06 0.00 0.00 176.95 171.03 3i6o s LYS 43 N -3.91 0.35 0.60 3.25 -2.85 -0.85 -4.93 119.74 111.40 3i6o s LYS 43 Ca 0.11 -0.68 -0.16 0.00 -1.00 0.00 0.00 55.97 54.24 3i6o s LYS 43 Cb 0.03 0.12 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 3i6o s LYS 43 CO -0.04 -0.06 1.06 -1.25 0.10 0.00 0.00 175.35 175.16 3i6o s PRO 44 N -1.74 3.27 0.03 1.78 0.04 -1.26 -0.26 135.00 136.85 3i6o s PRO 44 Ca -0.13 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 3i6o s PRO 44 Cb -0.08 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3i6o s PRO 44 CO -0.02 -0.85 0.39 0.21 0.04 0.00 0.00 177.00 176.76 3i6o s LYS 45 N -4.03 0.86 -0.12 4.56 2.20 -0.46 -4.84 119.74 117.90 3i6o s LYS 45 Ca 0.64 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3i6o s LYS 45 Cb -0.17 0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 3i6o s LYS 45 CO 0.37 -0.28 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.32 3i6o s MET 46 N -2.18 3.26 0.02 4.03 -1.94 -1.26 -0.79 119.30 120.44 3i6o s MET 46 Ca -0.07 -0.66 0.06 0.00 -1.71 0.00 0.00 55.69 53.31 3i6o s MET 46 Cb -0.02 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 3i6o s MET 46 CO -0.00 0.30 -0.19 0.96 -0.01 0.00 0.00 175.02 176.07 3i6o s ILE 47 N 0.14 1.50 -0.12 2.53 -4.36 -0.55 -4.97 121.20 115.37 3i6o s ILE 47 Ca -0.06 -1.01 0.02 0.00 -0.26 0.00 0.00 60.65 59.33 3i6o s ILE 47 Cb -0.15 -1.29 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 3i6o s ILE 47 CO 0.04 0.25 -0.18 -0.83 0.24 0.00 0.00 174.94 174.47 3i6o s GLY 48 N -0.89 1.44 0.00 6.27 0.00 -1.26 -1.03 107.32 111.85 3i6o s GLY 48 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.84 3i6o s GLY 48 CO 0.01 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.51 3i6o n GLY 49 N 3.61 6.02 3.74 0.20 0.00 -0.00 -4.96 105.19 113.81 3i6o n GLY 49 Ca -0.19 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 3i6o n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6o s ILE 50 N 0.19 2.74 0.00 -0.61 1.01 -1.26 -1.95 121.20 121.31 3i6o s ILE 50 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.26 3i6o s ILE 50 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3i6o s ILE 50 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3i6o n GLY 51 N 2.39 1.92 0.00 6.18 0.00 -1.26 -4.96 105.19 109.46 3i6o n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i6o n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6o n GLY 52 N -2.00 0.10 3.89 -0.02 0.00 -0.82 -5.04 105.19 101.29 3i6o n GLY 52 Ca 0.00 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 3i6o n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i6o s PHE 53 N 0.00 3.42 0.08 1.61 0.40 -1.26 -0.82 117.98 121.40 3i6o s PHE 53 Ca 0.00 0.15 0.06 0.00 -0.60 0.00 0.00 56.93 56.55 3i6o s PHE 53 Cb 0.00 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 3i6o s PHE 53 CO 0.00 0.55 -0.17 0.96 0.70 0.00 0.00 175.22 177.26 3i6o s ILE 54 N -1.59 1.38 -0.00 0.64 -4.36 -0.20 -4.97 121.20 112.10 3i6o s ILE 54 Ca 0.33 -1.36 -0.24 0.00 -0.26 0.00 0.00 60.65 59.13 3i6o s ILE 54 Cb -0.12 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 3i6o s ILE 54 CO 0.27 -0.11 0.71 -0.75 0.24 0.00 0.00 174.94 175.30 3i6o s LYS 55 N -1.71 4.44 0.23 0.37 2.20 -1.26 -1.48 119.74 122.53 3i6o s LYS 55 Ca 0.02 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.61 3i6o s LYS 55 Cb -0.10 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3i6o s LYS 55 CO 0.03 0.22 -0.01 0.14 -0.36 0.00 0.00 175.35 175.37 3i6o s VAL 56 N 0.24 1.05 -0.21 4.02 -7.23 0.03 -4.41 120.40 113.87 3i6o s VAL 56 Ca 0.37 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.42 3i6o s VAL 56 Cb -0.19 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 3i6o s VAL 56 CO 0.20 -0.34 0.10 -0.13 -0.31 0.00 0.00 175.10 174.63 3i6o s ARG 57 N -3.86 4.00 -0.30 4.82 0.52 0.13 -1.35 118.95 122.92 3i6o s ARG 57 Ca 0.28 -0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 55.01 3i6o s ARG 57 Cb 0.06 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 3i6o s ARG 57 CO 0.08 0.16 0.40 -1.14 0.02 0.00 0.00 175.30 174.82 3i6o s GLN 58 N 0.73 3.86 -0.14 3.54 0.74 0.64 -0.94 119.66 128.10 3i6o s GLN 58 Ca 0.05 -0.07 -0.02 0.00 0.05 0.00 0.00 55.36 55.38 3i6o s GLN 58 Cb -0.13 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3i6o s GLN 58 CO 0.02 -0.39 -0.09 0.71 -0.55 0.00 0.00 175.29 174.98 3i6o s TYR 59 N 2.13 2.89 0.24 1.67 1.51 -0.45 -2.01 117.35 123.34 3i6o s TYR 59 Ca 0.15 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 3i6o s TYR 59 Cb -0.16 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3i6o s TYR 59 CO 0.11 -0.16 0.31 -0.51 -1.11 0.00 0.00 175.55 174.19 3i6o s ASP 60 N 0.39 6.08 -1.30 2.29 1.01 -1.26 -0.95 116.67 122.93 3i6o s ASP 60 Ca -0.08 -0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.15 3i6o s ASP 60 Cb -0.15 -1.72 -0.00 0.00 1.01 0.00 0.00 42.92 42.06 3i6o s ASP 60 CO 0.04 -0.07 0.72 0.00 0.21 0.00 0.00 175.17 176.08 3i6o n GLN 61 N -1.35 -4.98 -3.83 8.23 6.02 -1.18 -4.91 117.38 115.38 3i6o n GLN 61 Ca -0.09 0.64 -0.36 0.00 -0.01 0.00 0.00 57.00 57.18 3i6o n GLN 61 Cb 0.57 -5.22 -0.10 0.00 1.02 0.00 0.00 30.24 26.51 3i6o n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i6o s ILE 62 N -3.65 4.88 0.13 5.09 -1.09 -0.12 -4.84 121.20 121.60 3i6o s ILE 62 Ca 0.01 0.01 -0.25 0.00 -2.23 0.00 0.00 60.65 58.19 3i6o s ILE 62 Cb -0.00 -3.25 -0.07 0.00 -1.58 0.00 0.00 42.46 37.56 3i6o s ILE 62 CO 0.81 0.39 0.77 -0.63 -1.23 0.00 0.00 174.94 175.05 3i6o s ILE 63 N 0.92 4.49 0.05 2.92 1.01 -1.26 -1.50 121.20 127.83 3i6o s ILE 63 Ca 0.05 1.68 0.01 0.00 0.00 0.00 0.00 60.65 62.39 3i6o s ILE 63 Cb -0.14 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 3i6o s ILE 63 CO 0.03 0.47 -0.05 -0.51 0.00 0.00 0.00 174.94 174.88 3i6o s ILE 64 N -0.78 0.35 -0.17 2.92 2.07 -0.35 -4.53 121.20 120.72 3i6o s ILE 64 Ca 0.37 -1.36 -0.00 0.00 -1.41 0.00 0.00 60.65 58.24 3i6o s ILE 64 Cb -0.22 -0.91 -0.00 0.00 0.13 0.00 0.00 42.46 41.45 3i6o s ILE 64 CO 0.25 -0.66 -0.14 -1.61 -1.91 0.00 0.00 174.94 170.87 3i6o s GLU 65 N -2.52 3.23 -0.20 3.50 2.02 -0.62 -0.92 118.70 123.19 3i6o s GLU 65 Ca -0.04 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3i6o s GLU 65 Cb -0.03 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.55 3i6o s GLU 65 CO -0.04 -0.04 -0.12 0.42 0.02 0.00 0.00 175.26 175.50 3i6o s ILE 66 N 0.98 1.77 -1.63 -1.63 1.01 0.83 -0.78 121.20 121.75 3i6o s ILE 66 Ca -0.02 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 3i6o s ILE 66 Cb -0.15 -1.80 0.15 0.00 0.01 0.00 0.00 42.46 40.67 3i6o s ILE 66 CO -0.02 0.22 0.76 0.00 0.00 0.00 0.00 174.94 175.89 3i6o n ALA 67 N 4.65 -1.22 0.00 9.38 0.00 -0.47 -0.68 120.51 132.16 3i6o n ALA 67 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i6o n ALA 67 Cb 0.47 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.48 3i6o n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6o n GLY 68 N -1.35 1.03 3.61 0.00 0.00 -1.26 -5.03 105.19 102.19 3i6o n GLY 68 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3i6o n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i6o s HIS 69 N -2.31 3.24 0.21 1.61 4.02 0.14 -5.07 115.29 117.14 3i6o s HIS 69 Ca 0.00 0.04 -0.21 0.00 1.02 0.00 0.00 55.06 55.92 3i6o s HIS 69 Cb 0.00 -2.16 -0.08 0.00 -1.02 0.00 0.00 32.58 29.32 3i6o s HIS 69 CO 0.00 0.05 0.73 0.21 1.02 0.00 0.00 174.74 176.74 3i6o s LYS 70 N 0.78 4.30 0.31 1.40 2.20 -1.26 -0.12 119.74 127.35 3i6o s LYS 70 Ca 0.05 0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 56.48 3i6o s LYS 70 Cb -0.13 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 3i6o s LYS 70 CO 0.02 0.43 0.54 0.00 -0.36 0.00 0.00 175.35 175.98 3i6o s ALA 71 N -1.44 0.08 -0.01 3.13 0.00 -0.10 -4.87 121.76 118.55 3i6o s ALA 71 Ca 0.41 -1.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3i6o s ALA 71 Cb -0.18 1.03 0.00 0.00 0.00 0.00 0.00 23.12 23.97 3i6o s ALA 71 CO 0.22 -0.85 0.05 -1.50 0.00 0.00 0.00 175.76 173.67 3i6o s ILE 72 N -3.31 0.03 -0.78 0.00 2.07 -1.26 -1.21 121.20 116.74 3i6o s ILE 72 Ca 0.24 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 3i6o s ILE 72 Cb -0.01 -0.14 0.00 0.00 0.13 0.00 0.00 42.46 42.43 3i6o s ILE 72 CO 0.14 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 3i6o n GLY 73 N 2.67 -1.26 3.74 1.50 0.00 -0.56 -4.92 105.19 106.36 3i6o n GLY 73 Ca -0.15 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 3i6o n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6o s THR 74 N -3.00 4.20 -0.07 2.61 2.01 -1.26 -0.94 115.64 119.19 3i6o s THR 74 Ca 0.00 2.05 0.03 0.00 0.31 0.00 0.00 61.69 64.08 3i6o s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 3i6o s THR 74 CO 0.00 0.42 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 3i6o s VAL 75 N -0.71 1.47 -0.15 3.82 1.01 -0.13 -4.52 120.40 121.19 3i6o s VAL 75 Ca 0.44 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3i6o s VAL 75 Cb -0.25 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3i6o s VAL 75 CO 0.32 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 175.22 3i6o s LEU 76 N 0.45 4.31 -0.12 3.92 1.43 -0.26 -1.34 118.68 127.07 3i6o s LEU 76 Ca -0.14 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3i6o s LEU 76 Cb -0.16 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 43.99 3i6o s LEU 76 CO 0.05 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 176.05 3i6o s VAL 77 N -0.46 1.92 -1.67 -1.59 1.01 -0.11 -0.67 120.40 118.82 3i6o s VAL 77 Ca 0.12 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3i6o s VAL 77 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3i6o s VAL 77 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3i6o n GLY 78 N 3.92 -1.11 2.56 4.51 0.00 -0.44 -0.69 105.19 113.94 3i6o n GLY 78 Ca -0.20 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3i6o n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i6o n PRO 79 N 0.00 3.50 -3.05 1.61 -0.04 -1.26 -3.66 135.00 132.10 3i6o n PRO 79 Ca 0.00 -2.69 -0.39 0.00 -0.04 0.00 0.00 63.50 60.38 3i6o n PRO 79 Cb 0.00 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 3i6o n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3i6o s THR 80 N 1.86 4.53 0.21 0.52 -1.32 -1.26 -4.97 115.64 115.21 3i6o s THR 80 Ca 0.55 1.58 0.36 0.00 -1.21 0.00 0.00 61.69 62.97 3i6o s THR 80 Cb 0.15 -4.08 0.40 0.00 -1.51 0.00 0.00 72.50 67.47 3i6o s THR 80 CO -0.07 0.49 2.06 1.55 -2.21 0.00 0.00 174.62 176.44 3i6o h PRO 81 N 4.68 0.00 -3.53 7.08 0.13 -1.98 -3.44 132.00 134.95 3i6o h PRO 81 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 3i6o h PRO 81 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 3i6o h PRO 81 CO 0.67 0.00 -0.60 0.14 -0.23 0.00 0.00 178.00 177.98 3i6o s VAL 82 N -3.76 0.01 0.14 1.56 -7.23 -1.26 -5.11 120.40 104.76 3i6o s VAL 82 Ca -0.00 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.77 3i6o s VAL 82 Cb 0.10 -0.17 -0.07 0.00 0.56 0.00 0.00 36.38 36.79 3i6o s VAL 82 CO 0.52 -0.05 1.24 0.20 -0.31 0.00 0.00 175.10 176.70 3i6o s ASN 83 N -0.14 7.02 -0.13 4.85 0.01 -1.26 -4.83 114.94 120.47 3i6o s ASN 83 Ca -0.02 2.21 0.02 0.00 -0.71 0.00 0.00 52.86 54.36 3i6o s ASN 83 Cb -0.02 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3i6o s ASN 83 CO 0.00 -0.46 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.33 3i6o s ILE 84 N 0.44 1.70 -0.41 0.60 1.01 0.06 -0.69 121.20 123.91 3i6o s ILE 84 Ca 0.57 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 3i6o s ILE 84 Cb -0.33 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.62 3i6o s ILE 84 CO 0.34 0.48 0.49 -0.63 0.00 0.00 0.00 174.94 175.61 3i6o s ILE 85 N 1.01 5.03 0.56 2.92 -1.09 0.13 -1.27 121.20 128.51 3i6o s ILE 85 Ca -0.05 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 3i6o s ILE 85 Cb -0.15 -4.05 0.11 0.00 -1.58 0.00 0.00 42.46 36.79 3i6o s ILE 85 CO -0.03 -0.41 0.78 0.61 -1.23 0.00 0.00 174.94 174.65 3i6o n GLY 86 N 5.04 1.00 0.31 6.18 0.00 -1.24 -1.27 105.19 115.21 3i6o n GLY 86 Ca -0.06 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 43.98 3i6o n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i6o h ARG 87 N 0.00 0.28 -0.07 1.61 3.08 -0.61 -0.47 114.38 118.21 3i6o h ARG 87 Ca -0.26 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.79 3i6o h ARG 87 Cb 1.00 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 3i6o h ARG 87 CO 0.30 0.19 0.07 -2.95 -1.07 0.00 0.00 179.97 176.50 3i6o h ASN 88 N 0.29 0.00 0.00 7.04 -1.07 -1.72 -1.87 115.58 118.26 3i6o h ASN 88 Ca 0.15 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.33 3i6o h ASN 88 Cb 0.22 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.43 3i6o h ASN 88 CO -0.03 0.00 -1.79 0.18 0.07 0.00 0.00 177.43 175.86 3i6o n LEU 89 N -4.00 0.00 -0.21 6.14 4.77 -0.75 -4.50 117.00 118.45 3i6o n LEU 89 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 3i6o n LEU 89 Cb 0.17 0.25 0.32 0.00 -2.33 0.00 0.00 43.42 41.83 3i6o n LEU 89 CO 0.29 0.25 1.22 -0.07 -1.33 0.00 0.00 177.39 177.75 3i6o h LEU 90 N 0.00 0.72 -1.68 2.23 3.38 -0.85 -1.00 115.31 118.11 3i6o h LEU 90 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3i6o h LEU 90 Cb 1.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3i6o h LEU 90 CO 0.01 0.47 -0.01 0.71 0.09 0.00 0.00 178.44 179.71 3i6o h THR 91 N 0.82 1.10 0.00 0.22 1.35 -1.57 -2.29 112.91 112.54 3i6o h THR 91 Ca 0.33 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3i6o h THR 91 Cb 0.24 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3i6o h THR 91 CO -0.11 0.12 0.00 1.56 -0.25 0.00 0.00 175.52 176.84 3i6o h GLN 92 N 0.18 0.00 -0.29 4.72 1.08 -1.41 -2.11 115.11 117.27 3i6o h GLN 92 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3i6o h GLN 92 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3i6o h GLN 92 CO 0.00 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 3i6o n ILE 93 N -2.39 0.37 -2.15 2.54 -5.35 -1.08 -4.89 119.36 106.40 3i6o n ILE 93 Ca 0.05 -0.63 -0.04 0.00 -0.27 0.00 0.00 62.75 61.86 3i6o n ILE 93 Cb 0.43 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 3i6o n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i6o n GLY 94 N 1.41 0.27 3.74 3.28 0.00 -0.79 -5.00 105.19 108.09 3i6o n GLY 94 Ca 0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3i6o n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6o s ALA 95 N -2.30 3.28 0.09 4.61 0.00 -0.88 -5.05 121.76 121.51 3i6o s ALA 95 Ca 0.01 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3i6o s ALA 95 Cb -0.01 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3i6o s ALA 95 CO 0.02 0.05 -0.09 0.95 0.00 0.00 0.00 175.76 176.69 3i6o s THR 96 N -0.38 0.84 -0.10 0.00 -4.23 -1.26 -4.73 115.64 105.77 3i6o s THR 96 Ca 0.45 -1.57 -0.14 0.00 -1.18 0.00 0.00 61.69 59.25 3i6o s THR 96 Cb -0.24 -1.26 -0.05 0.00 1.34 0.00 0.00 72.50 72.29 3i6o s THR 96 CO 0.30 -0.56 0.33 -0.76 -0.54 0.00 0.00 174.62 173.39 3i6o s LEU 97 N -2.35 4.34 -0.04 4.79 1.43 -1.26 -5.09 118.68 120.49 3i6o s LEU 97 Ca 0.03 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 3i6o s LEU 97 Cb -0.03 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.76 3i6o s LEU 97 CO -0.01 0.20 -0.08 0.20 0.23 0.00 0.00 176.35 176.90 3i6o s ASN 98 N -0.20 1.19 0.00 2.29 0.01 -1.26 -5.30 114.94 111.67 3i6o s ASN 98 Ca 0.20 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 3i6o s ASN 98 Cb -0.14 -0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.07 3i6o s ASN 98 CO 0.08 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.90