#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1onl s ILE 3 N 0.00 1.71 0.79 5.18 1.01 -1.26 -4.42 121.20 124.21 1onl s ILE 3 Ca 0.00 -2.89 -0.14 0.00 0.00 0.00 0.00 60.65 57.62 1onl s ILE 3 Cb 0.00 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.35 1onl s ILE 3 CO 0.00 -0.91 1.13 -0.81 0.00 0.00 0.00 174.94 174.35 1onl n PRO 4 N 3.24 0.27 -1.36 2.79 -0.04 -1.26 -4.91 135.00 133.73 1onl n PRO 4 Ca 0.11 0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.47 1onl n PRO 4 Cb 0.35 -2.38 0.11 0.00 -0.04 0.00 0.00 33.50 31.54 1onl n PRO 4 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1onl n LYS 5 N -2.89 2.64 -0.17 0.54 5.02 -1.26 -4.46 118.16 117.58 1onl n LYS 5 Ca 0.13 -3.38 0.06 0.00 -2.02 0.00 0.00 58.31 53.10 1onl n LYS 5 Cb 0.50 -2.19 0.15 0.00 -0.02 0.00 0.00 35.03 33.47 1onl n LYS 5 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1onl n ASP 6 N -0.96 2.89 -3.05 4.39 5.68 -1.26 -4.95 116.55 119.29 1onl n ASP 6 Ca 0.54 -1.95 -0.13 0.00 -0.50 0.00 0.00 54.79 52.76 1onl n ASP 6 Cb 0.98 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 40.72 1onl n ASP 6 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1onl s ARG 7 N -1.00 2.07 0.40 0.11 3.03 -1.26 -4.70 118.95 117.60 1onl s ARG 7 Ca 0.24 -1.69 0.06 0.00 2.03 0.00 0.00 55.73 56.37 1onl s ARG 7 Cb 0.13 0.51 0.00 0.00 -1.03 0.00 0.00 34.95 34.56 1onl s ARG 7 CO 0.17 -0.90 0.56 -0.06 -1.13 0.00 0.00 175.30 173.94 1onl s PHE 8 N -2.68 2.96 0.08 5.89 0.40 -0.59 -4.36 117.98 119.68 1onl s PHE 8 Ca 0.26 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1onl s PHE 8 Cb -0.02 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1onl s PHE 8 CO 0.18 -0.31 -0.05 0.71 0.70 0.00 0.00 175.22 176.46 1onl s TYR 9 N -2.34 0.71 0.23 0.36 2.02 0.29 -1.51 117.35 117.11 1onl s TYR 9 Ca 0.51 -1.00 0.10 0.00 -0.37 0.00 0.00 57.07 56.32 1onl s TYR 9 Cb -0.10 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.96 1onl s TYR 9 CO 0.33 -0.27 -0.19 0.95 -1.57 0.00 0.00 175.55 174.80 1onl s THR 10 N -3.78 2.19 -2.00 -0.71 -4.23 -0.52 -1.41 115.64 105.18 1onl s THR 10 Ca 0.10 -2.21 0.15 0.00 -1.18 0.00 0.00 61.69 58.55 1onl s THR 10 Cb 0.07 -2.13 0.43 0.00 1.34 0.00 0.00 72.50 72.20 1onl s THR 10 CO -0.07 -0.37 1.39 2.29 -0.54 0.00 0.00 174.62 177.32 1onl n LYS 11 N -0.24 0.71 -0.77 3.99 2.85 -1.26 -1.68 118.16 121.76 1onl n LYS 11 Ca -0.08 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.25 1onl n LYS 11 Cb 0.59 -1.33 0.37 0.00 -0.65 0.00 0.00 35.03 34.00 1onl n LYS 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1onl n THR 12 N -0.83 2.61 -3.61 0.58 -2.24 -1.26 -4.94 114.28 104.59 1onl n THR 12 Ca 0.11 -1.52 -0.23 0.00 -2.27 0.00 0.00 64.05 60.14 1onl n THR 12 Cb 0.05 -0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.10 1onl n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1onl n HIS 13 N 0.36 -2.61 -4.42 4.78 8.25 -0.67 -5.00 115.22 115.89 1onl n HIS 13 Ca 0.26 0.98 -0.22 0.00 -0.26 0.00 0.00 57.72 58.48 1onl n HIS 13 Cb 1.11 -4.89 -0.10 0.00 1.12 0.00 0.00 29.99 27.23 1onl n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1onl s GLU 14 N -6.12 1.53 0.02 -0.41 2.02 -1.25 -2.21 118.70 112.28 1onl s GLU 14 Ca 0.43 -1.72 0.04 0.00 0.02 0.00 0.00 54.97 53.75 1onl s GLU 14 Cb -0.20 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.61 1onl s GLU 14 CO 0.75 0.21 -0.12 1.67 0.02 0.00 0.00 175.26 177.79 1onl s TRP 15 N -2.78 1.07 -0.27 1.61 1.48 0.14 -1.43 118.94 118.75 1onl s TRP 15 Ca 0.27 -0.31 0.01 0.00 -1.06 0.00 0.00 56.10 55.01 1onl s TRP 15 Cb -0.01 -0.65 0.05 0.00 -1.16 0.00 0.00 33.47 31.70 1onl s TRP 15 CO 0.11 0.01 -0.08 0.00 -4.06 0.00 0.00 176.95 172.94 1onl s ALA 16 N -0.71 2.64 -0.45 2.67 0.00 -0.57 -2.47 121.76 122.87 1onl s ALA 16 Ca 0.01 -1.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 1onl s ALA 16 Cb -0.07 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.41 1onl s ALA 16 CO 0.01 -1.15 0.45 -1.17 0.00 0.00 0.00 175.76 173.90 1onl s LEU 17 N 1.18 5.14 0.37 0.00 0.20 0.36 -1.54 118.68 124.39 1onl s LEU 17 Ca -0.06 -0.94 -0.28 0.00 0.69 0.00 0.00 54.13 53.54 1onl s LEU 17 Cb -0.19 -2.31 -0.10 0.00 -0.43 0.00 0.00 46.19 43.15 1onl s LEU 17 CO -0.04 -0.65 1.34 -2.84 -0.29 0.00 0.00 176.35 173.86 1onl s PRO 18 N 2.05 4.16 -0.43 0.98 0.02 -1.26 -0.55 135.00 139.97 1onl s PRO 18 Ca 0.10 2.26 0.06 0.00 0.02 0.00 0.00 61.00 63.43 1onl s PRO 18 Cb -0.20 -2.93 0.17 0.00 0.02 0.00 0.00 34.50 31.56 1onl s PRO 18 CO 0.11 -0.37 0.55 -1.21 -0.33 0.00 0.00 177.00 175.75 1onl s GLU 19 N -2.02 0.84 6.79 5.54 2.02 -0.19 -4.91 118.70 126.77 1onl s GLU 19 Ca 0.53 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1onl s GLU 19 Cb -0.40 -0.36 0.00 0.00 0.10 0.00 0.00 34.13 33.47 1onl s GLU 19 CO 0.53 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.97 1onl n GLY 20 N 3.81 1.33 2.13 -1.39 0.00 -1.26 -2.99 105.19 106.82 1onl n GLY 20 Ca 0.15 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1onl n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1onl n ASP 21 N 7.29 3.85 -3.35 1.61 3.85 -1.26 -4.92 116.55 123.62 1onl n ASP 21 Ca 0.00 -3.47 -0.17 0.00 -0.71 0.00 0.00 54.79 50.44 1onl n ASP 21 Cb 0.00 -0.81 -0.06 0.00 -1.35 0.00 0.00 41.12 38.90 1onl n ASP 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1onl s THR 22 N -3.08 0.00 -0.07 2.12 -4.23 -1.16 -4.08 115.64 105.13 1onl s THR 22 Ca 0.54 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 1onl s THR 22 Cb 0.45 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.75 1onl s THR 22 CO 0.11 0.00 0.30 0.68 -0.54 0.00 0.00 174.62 175.17 1onl s VAL 23 N -3.30 0.02 0.13 2.29 -7.23 -0.26 -1.02 120.40 111.03 1onl s VAL 23 Ca 0.36 -0.21 -0.09 0.00 -1.81 0.00 0.00 61.98 60.23 1onl s VAL 23 Cb 0.01 -0.50 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 1onl s VAL 23 CO 0.23 -0.11 0.43 -0.76 -0.31 0.00 0.00 175.10 174.58 1onl s LEU 24 N -0.44 4.29 -0.02 1.32 1.43 0.29 -0.48 118.68 125.07 1onl s LEU 24 Ca -0.06 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 1onl s LEU 24 Cb -0.04 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1onl s LEU 24 CO 0.02 0.09 -0.15 -0.69 0.23 0.00 0.00 176.35 175.85 1onl s VAL 25 N -1.55 1.19 0.08 -1.59 1.01 0.64 -0.48 120.40 119.69 1onl s VAL 25 Ca 0.38 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1onl s VAL 25 Cb -0.13 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1onl s VAL 25 CO 0.20 0.34 0.15 0.61 0.00 0.00 0.00 175.10 176.41 1onl n GLY 26 N 2.87 1.97 3.64 4.51 0.00 -1.03 0.59 105.19 117.73 1onl n GLY 26 Ca -0.16 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1onl n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1onl s ILE 27 N -2.77 3.70 0.99 -0.61 -4.36 -1.26 -0.68 121.20 116.20 1onl s ILE 27 Ca 0.04 -1.14 -0.12 0.00 -0.26 0.00 0.00 60.65 59.16 1onl s ILE 27 Cb -0.01 -2.76 0.18 0.00 1.25 0.00 0.00 42.46 41.12 1onl s ILE 27 CO 0.03 0.10 1.08 0.42 0.24 0.00 0.00 174.94 176.81 1onl s THR 28 N -1.29 2.33 0.26 8.37 -4.23 -0.94 -4.53 115.64 115.61 1onl s THR 28 Ca 0.24 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1onl s THR 28 Cb -0.11 -2.40 0.26 0.00 1.34 0.00 0.00 72.50 71.59 1onl s THR 28 CO 0.16 -0.14 1.86 -0.78 -0.54 0.00 0.00 174.62 175.19 1onl h ASP 29 N -1.94 0.97 -0.34 3.99 3.58 -1.93 -1.46 116.42 119.28 1onl h ASP 29 Ca -0.52 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 56.92 1onl h ASP 29 Cb 1.30 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1onl h ASP 29 CO 0.52 0.60 0.13 0.22 -2.88 0.00 0.00 179.24 177.82 1onl h TYR 30 N 1.09 0.52 0.14 0.28 3.20 -1.91 -1.53 116.97 118.77 1onl h TYR 30 Ca 0.43 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.27 1onl h TYR 30 Cb 0.23 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1onl h TYR 30 CO -0.01 0.49 -0.26 0.00 -1.64 0.00 0.00 178.16 176.74 1onl h ALA 31 N 0.97 -0.46 -0.43 1.82 0.00 -1.58 0.15 119.26 119.73 1onl h ALA 31 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1onl h ALA 31 Cb 0.20 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1onl h ALA 31 CO -0.01 -0.81 -0.05 -0.56 0.00 0.00 0.00 179.25 177.83 1onl h GLN 32 N -0.49 0.73 -0.74 0.00 -0.00 -1.39 -1.01 115.11 112.22 1onl h GLN 32 Ca 0.02 -0.21 -0.03 0.00 -0.00 0.00 0.00 58.65 58.43 1onl h GLN 32 Cb 0.50 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.48 27.87 1onl h GLN 32 CO -0.14 0.78 0.34 0.22 -0.00 0.00 0.00 178.83 180.03 1onl h ASP 33 N 0.68 0.98 0.84 0.06 3.58 -0.80 -1.08 116.42 120.67 1onl h ASP 33 Ca 0.13 -0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1onl h ASP 33 Cb 0.49 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1onl h ASP 33 CO 0.03 0.85 -0.60 0.00 -2.88 0.00 0.00 179.24 176.63 1onl h ALA 34 N 1.17 0.84 0.02 -0.78 0.00 -0.39 -3.28 119.26 116.85 1onl h ALA 34 Ca 0.25 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 1onl h ALA 34 Cb 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1onl h ALA 34 CO -0.03 0.75 -0.76 1.25 0.00 0.00 0.00 179.25 180.47 1onl h LEU 35 N 0.00 0.63 0.00 0.00 5.85 -0.83 -3.51 115.31 117.45 1onl h LEU 35 Ca -0.01 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.93 1onl h LEU 35 Cb 1.18 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1onl h LEU 35 CO 0.08 1.33 0.00 0.61 -0.34 0.00 0.00 178.44 180.12 1onl n GLY 36 N 1.15 -2.57 3.52 3.75 0.00 -0.44 -4.71 105.19 105.89 1onl n GLY 36 Ca -0.11 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1onl n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1onl n ASP 37 N 0.00 1.87 -4.58 1.61 9.92 -1.26 -4.85 116.55 119.26 1onl n ASP 37 Ca 0.00 -0.08 -0.41 0.00 -0.53 0.00 0.00 54.79 53.77 1onl n ASP 37 Cb 0.00 -1.35 -0.03 0.00 -0.64 0.00 0.00 41.12 39.10 1onl n ASP 37 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1onl s VAL 38 N 10.03 3.40 -1.51 2.53 1.01 -1.26 -2.75 120.40 131.85 1onl s VAL 38 Ca 1.10 0.36 0.23 0.00 0.00 0.00 0.00 61.98 63.67 1onl s VAL 38 Cb -0.60 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1onl s VAL 38 CO 0.38 -0.50 1.16 1.33 0.00 0.00 0.00 175.10 177.47 1onl n VAL 39 N 7.42 0.00 -3.57 2.92 0.24 -0.09 -3.38 118.33 121.87 1onl n VAL 39 Ca 0.23 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.34 62.28 1onl n VAL 39 Cb 0.49 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 1onl n VAL 39 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1onl s TYR 40 N -2.72 -0.54 -0.04 6.34 5.04 -1.04 -4.89 117.35 119.50 1onl s TYR 40 Ca 0.15 1.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1onl s TYR 40 Cb 0.18 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.91 1onl s TYR 40 CO 0.68 -0.44 -0.04 0.08 -1.34 0.00 0.00 175.55 174.49 1onl s VAL 41 N -0.84 0.47 -0.78 3.14 1.01 -1.26 -0.64 120.40 121.49 1onl s VAL 41 Ca -0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1onl s VAL 41 Cb -0.01 -0.51 0.21 0.00 0.00 0.00 0.00 36.38 36.06 1onl s VAL 41 CO 0.04 0.21 0.71 -1.61 0.00 0.00 0.00 175.10 174.46 1onl s GLU 42 N 0.97 3.46 0.62 2.72 2.02 0.73 -4.87 118.70 124.35 1onl s GLU 42 Ca -0.10 -2.39 -0.19 0.00 0.02 0.00 0.00 54.97 52.31 1onl s GLU 42 Cb -0.14 -4.36 -0.02 0.00 0.10 0.00 0.00 34.13 29.71 1onl s GLU 42 CO -0.00 -1.28 1.31 1.28 0.02 0.00 0.00 175.26 176.58 1onl n LEU 43 N 4.06 5.89 -4.78 1.80 4.77 -1.26 -1.97 117.00 125.52 1onl n LEU 43 Ca 0.11 0.87 -0.34 0.00 -0.03 0.00 0.00 56.01 56.61 1onl n LEU 43 Cb 0.46 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1onl n LEU 43 CO 0.35 -0.90 0.76 -2.16 -1.33 0.00 0.00 177.39 174.11 1onl s PRO 44 N -3.24 3.35 -0.23 3.23 0.04 -1.25 -4.89 135.00 132.01 1onl s PRO 44 Ca 0.80 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 1onl s PRO 44 Cb -0.39 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1onl s PRO 44 CO 0.43 -0.83 1.56 -2.00 0.04 0.00 0.00 177.00 176.20 1onl s GLU 45 N -3.47 3.82 0.28 4.56 2.12 -1.26 -4.90 118.70 119.84 1onl s GLU 45 Ca 0.70 1.59 -0.30 0.00 0.36 0.00 0.00 54.97 57.31 1onl s GLU 45 Cb -0.21 -4.01 -0.12 0.00 0.26 0.00 0.00 34.13 30.05 1onl s GLU 45 CO 0.29 -1.26 1.62 0.28 -0.54 0.00 0.00 175.26 175.65 1onl n VAL 46 N 6.37 0.84 0.00 3.70 0.31 -1.26 -2.17 118.33 126.12 1onl n VAL 46 Ca 0.18 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1onl n VAL 46 Cb 0.45 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1onl n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1onl n GLY 47 N 2.48 2.17 3.77 2.92 0.00 0.46 -4.99 105.19 111.99 1onl n GLY 47 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1onl n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1onl s ARG 48 N -0.68 4.21 -0.16 1.61 3.52 -0.92 -4.76 118.95 121.77 1onl s ARG 48 Ca 0.00 1.95 -0.12 0.00 -0.13 0.00 0.00 55.73 57.43 1onl s ARG 48 Cb 0.00 -2.86 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 1onl s ARG 48 CO 0.00 -0.22 0.23 0.08 -0.81 0.00 0.00 175.30 174.59 1onl s VAL 49 N -1.30 5.34 0.24 7.11 1.01 -1.26 -1.46 120.40 130.08 1onl s VAL 49 Ca 0.53 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1onl s VAL 49 Cb -0.34 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1onl s VAL 49 CO 0.43 0.43 0.01 0.68 0.00 0.00 0.00 175.10 176.66 1onl s VAL 50 N 0.22 1.00 0.26 2.92 -7.23 0.24 -4.99 120.40 112.83 1onl s VAL 50 Ca 0.14 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1onl s VAL 50 Cb -0.12 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1onl s VAL 50 CO 0.02 -0.26 0.09 -1.61 -0.31 0.00 0.00 175.10 173.03 1onl s GLU 51 N -3.88 2.56 0.12 4.82 0.41 -1.26 -1.41 118.70 120.05 1onl s GLU 51 Ca 0.30 -1.27 -0.33 0.00 -0.41 0.00 0.00 54.97 53.26 1onl s GLU 51 Cb 0.06 -2.33 -0.12 0.00 -1.78 0.00 0.00 34.13 29.96 1onl s GLU 51 CO 0.10 0.37 1.75 1.17 -0.49 0.00 0.00 175.26 178.15 1onl n LYS 52 N -1.03 2.49 -0.08 1.61 4.81 -1.26 -1.44 118.16 123.27 1onl n LYS 52 Ca -0.07 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1onl n LYS 52 Cb 0.59 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1onl n LYS 52 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1onl n GLY 53 N 3.96 2.11 3.77 3.14 0.00 1.00 -4.94 105.19 114.23 1onl n GLY 53 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1onl n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1onl s GLU 54 N -0.25 4.29 -0.12 1.61 2.12 -0.52 -4.59 118.70 121.25 1onl s GLU 54 Ca 0.00 2.15 -0.30 0.00 0.36 0.00 0.00 54.97 57.18 1onl s GLU 54 Cb 0.00 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 1onl s GLU 54 CO 0.00 -0.22 1.23 0.00 -0.54 0.00 0.00 175.26 175.74 1onl s ALA 55 N -1.18 3.59 0.00 6.30 0.00 -1.26 -1.19 121.76 128.01 1onl s ALA 55 Ca 0.50 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1onl s ALA 55 Cb -0.38 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1onl s ALA 55 CO 0.50 -0.99 0.07 1.33 0.00 0.00 0.00 175.76 176.67 1onl n VAL 56 N 5.03 0.00 -3.45 0.00 0.24 0.02 -4.97 118.33 115.21 1onl n VAL 56 Ca 0.13 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 1onl n VAL 56 Cb 0.45 1.07 -0.02 0.00 -1.47 0.00 0.00 33.84 33.87 1onl n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1onl s ALA 57 N -0.52 -1.58 -0.03 2.33 0.00 -1.05 -3.77 121.76 117.14 1onl s ALA 57 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1onl s ALA 57 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1onl s ALA 57 CO 0.00 -0.79 -0.11 0.08 0.00 0.00 0.00 175.76 174.95 1onl s VAL 58 N -3.76 0.93 -0.29 0.00 1.01 -0.83 0.11 120.40 117.57 1onl s VAL 58 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1onl s VAL 58 Cb -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.58 1onl s VAL 58 CO -0.12 0.29 -0.00 -0.69 0.00 0.00 0.00 175.10 174.58 1onl s VAL 59 N 0.26 3.13 -0.19 2.92 1.01 0.14 -0.19 120.40 127.49 1onl s VAL 59 Ca -0.05 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.66 1onl s VAL 59 Cb -0.10 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1onl s VAL 59 CO 0.01 0.00 0.11 -1.61 0.00 0.00 0.00 175.10 173.62 1onl s GLU 60 N 1.32 4.07 0.43 2.72 2.02 0.18 -0.53 118.70 128.91 1onl s GLU 60 Ca -0.02 -0.24 0.06 0.00 0.02 0.00 0.00 54.97 54.79 1onl s GLU 60 Cb -0.18 -3.35 0.06 0.00 0.10 0.00 0.00 34.13 30.76 1onl s GLU 60 CO -0.01 0.34 0.52 -1.13 0.02 0.00 0.00 175.26 175.00 1onl n SER 61 N 3.38 1.82 0.00 -0.19 3.41 -0.34 -0.92 113.62 120.78 1onl n SER 61 Ca -0.16 -2.25 0.11 0.00 -0.26 0.00 0.00 58.87 56.31 1onl n SER 61 Cb 0.52 -0.24 0.60 0.00 -0.26 0.00 0.00 64.21 64.83 1onl n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1onl n VAL 62 N -1.82 0.24 0.01 -3.33 0.24 -1.11 -4.23 118.33 108.32 1onl n VAL 62 Ca 0.08 0.06 -0.01 0.00 -2.04 0.00 0.00 64.34 62.43 1onl n VAL 62 Cb 0.46 -0.68 -0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1onl n VAL 62 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1onl n LYS 63 N -1.25 0.05 -4.34 7.34 2.85 -1.26 -5.11 118.16 116.44 1onl n LYS 63 Ca 0.12 0.02 -0.24 0.00 -1.05 0.00 0.00 58.31 57.16 1onl n LYS 63 Cb 0.17 -0.36 -0.08 0.00 -0.65 0.00 0.00 35.03 34.11 1onl n LYS 63 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1onl s THR 64 N -1.52 3.05 -0.40 0.58 -4.23 -1.26 -5.11 115.64 106.75 1onl s THR 64 Ca -0.03 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1onl s THR 64 Cb 0.00 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.22 1onl s THR 64 CO 0.04 -0.34 0.20 0.00 -0.54 0.00 0.00 174.62 173.98 1onl s ALA 65 N -2.41 3.17 -0.20 3.99 0.00 -1.26 -1.20 121.76 123.85 1onl s ALA 65 Ca 0.32 -2.30 -0.21 0.00 0.00 0.00 0.00 51.96 49.77 1onl s ALA 65 Cb -0.05 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1onl s ALA 65 CO 0.19 -1.68 0.63 0.45 0.00 0.00 0.00 175.76 175.35 1onl s SER 66 N 1.91 6.69 0.32 0.00 0.15 0.31 -4.89 113.70 118.18 1onl s SER 66 Ca 0.04 0.84 -0.22 0.00 0.70 0.00 0.00 55.95 57.31 1onl s SER 66 Cb -0.23 -2.35 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 1onl s SER 66 CO -0.01 -0.27 0.86 -1.81 1.20 0.00 0.00 173.24 173.20 1onl s ASP 67 N 1.20 7.09 -0.13 5.45 1.11 -1.26 0.26 116.67 130.39 1onl s ASP 67 Ca 0.29 1.61 -0.00 0.00 0.18 0.00 0.00 52.55 54.62 1onl s ASP 67 Cb -0.16 -2.50 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1onl s ASP 67 CO 0.10 -0.13 -0.12 -0.63 1.18 0.00 0.00 175.17 175.58 1onl s ILE 68 N -1.77 3.18 0.17 0.77 -1.09 0.31 -4.90 121.20 117.86 1onl s ILE 68 Ca 0.52 -0.62 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 1onl s ILE 68 Cb -0.15 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1onl s ILE 68 CO 0.20 0.52 0.11 -0.31 -1.23 0.00 0.00 174.94 174.23 1onl s TYR 69 N 0.27 3.07 -0.17 3.97 1.51 -1.26 -0.80 117.35 123.94 1onl s TYR 69 Ca -0.09 -0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 1onl s TYR 69 Cb -0.15 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 1onl s TYR 69 CO 0.05 0.52 1.30 0.00 -1.11 0.00 0.00 175.55 176.31 1onl s ALA 70 N -1.79 3.63 0.32 3.71 0.00 -0.33 -4.86 121.76 122.45 1onl s ALA 70 Ca 0.30 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.79 1onl s ALA 70 Cb -0.10 -3.65 0.73 0.00 0.00 0.00 0.00 23.12 20.11 1onl s ALA 70 CO 0.22 -1.25 1.82 -1.35 0.00 0.00 0.00 175.76 175.21 1onl h PRO 71 N 8.43 0.76 -4.79 0.00 0.11 -1.91 0.28 132.00 134.88 1onl h PRO 71 Ca -0.27 -0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.42 1onl h PRO 71 Cb 1.11 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 31.91 1onl h PRO 71 CO 0.97 0.51 -0.56 0.14 -0.21 0.00 0.00 178.00 178.85 1onl s VAL 72 N -5.81 0.11 0.35 3.15 -7.23 -1.26 -4.43 120.40 105.28 1onl s VAL 72 Ca -0.11 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.80 1onl s VAL 72 Cb 0.23 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 1onl s VAL 72 CO 0.80 0.00 1.09 0.00 -0.31 0.00 0.00 175.10 176.68 1onl s ALA 73 N -3.74 3.24 0.00 1.32 0.00 -1.26 -4.05 121.76 117.26 1onl s ALA 73 Ca 0.38 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1onl s ALA 73 Cb 0.05 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1onl s ALA 73 CO 0.19 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1onl n GLY 74 N 0.76 -0.56 3.15 0.00 0.00 -0.50 -1.49 105.19 106.56 1onl n GLY 74 Ca 0.02 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1onl n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1onl s GLU 75 N -0.95 1.88 -0.30 1.61 2.12 -0.81 0.83 118.70 123.08 1onl s GLU 75 Ca 0.00 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 1onl s GLU 75 Cb 0.00 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.76 1onl s GLU 75 CO 0.00 0.25 1.45 0.42 -0.54 0.00 0.00 175.26 176.84 1onl s ILE 76 N 0.03 3.92 -0.77 -3.70 -1.09 -0.54 -1.19 121.20 117.86 1onl s ILE 76 Ca -0.04 1.02 0.10 0.00 -2.23 0.00 0.00 60.65 59.50 1onl s ILE 76 Cb -0.12 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1onl s ILE 76 CO 0.02 -0.46 0.56 1.33 -1.23 0.00 0.00 174.94 175.16 1onl n VAL 77 N 6.49 0.00 -3.56 2.92 0.24 -0.68 0.17 118.33 123.91 1onl n VAL 77 Ca 0.17 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 1onl n VAL 77 Cb 0.46 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.86 1onl n VAL 77 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1onl s GLU 78 N -1.56 0.73 0.06 7.34 2.12 -1.21 -4.88 118.70 121.30 1onl s GLU 78 Ca 0.07 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.56 1onl s GLU 78 Cb 0.08 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 1onl s GLU 78 CO 0.31 -0.24 -0.10 0.54 -0.54 0.00 0.00 175.26 175.23 1onl s VAL 79 N -1.32 0.78 -0.73 3.70 0.11 -1.26 -1.33 120.40 120.35 1onl s VAL 79 Ca -0.03 -1.27 -0.22 0.00 -2.93 0.00 0.00 61.98 57.53 1onl s VAL 79 Cb -0.00 -0.91 0.08 0.00 -1.53 0.00 0.00 36.38 34.02 1onl s VAL 79 CO 0.03 -0.39 1.00 0.21 -3.33 0.00 0.00 175.10 172.62 1onl s ASN 80 N -1.83 6.28 0.58 3.54 2.47 -0.98 -4.90 114.94 120.10 1onl s ASN 80 Ca -0.04 -1.25 0.27 0.00 0.42 0.00 0.00 52.86 52.26 1onl s ASN 80 Cb -0.08 -2.41 1.65 0.00 -1.45 0.00 0.00 41.25 38.95 1onl s ASN 80 CO 0.01 -1.35 2.15 -0.07 -3.72 0.00 0.00 177.10 174.12 1onl h LEU 81 N 11.14 0.00 -1.55 3.21 4.07 -1.95 -2.55 115.31 127.68 1onl h LEU 81 Ca -0.18 0.00 0.19 0.00 0.08 0.00 0.00 57.88 57.97 1onl h LEU 81 Cb 1.06 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 1onl h LEU 81 CO 1.17 0.00 0.57 0.00 -1.08 0.00 0.00 178.44 179.10 1onl h ALA 82 N 1.86 2.19 0.00 1.53 0.00 -1.95 0.13 119.26 123.02 1onl h ALA 82 Ca 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1onl h ALA 82 Cb 0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1onl h ALA 82 CO -0.00 -0.45 -0.03 -0.07 0.00 0.00 0.00 179.25 178.70 1onl h LEU 83 N 0.40 0.00 -1.44 0.00 3.38 -1.66 0.18 115.31 116.17 1onl h LEU 83 Ca 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 1onl h LEU 83 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1onl h LEU 83 CO -0.15 0.03 -0.02 -0.33 0.09 0.00 0.00 178.44 178.06 1onl h GLU 84 N 0.00 0.34 0.00 1.13 5.08 -0.92 -3.05 114.58 117.16 1onl h GLU 84 Ca -0.00 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1onl h GLU 84 Cb 0.56 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1onl h GLU 84 CO 0.00 0.39 -1.64 1.63 -1.00 0.00 0.00 179.01 178.39 1onl n LYS 85 N -4.33 2.12 -3.28 2.33 4.76 -1.07 -4.79 118.16 113.89 1onl n LYS 85 Ca 0.00 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.19 1onl n LYS 85 Cb 0.21 -1.24 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 1onl n LYS 85 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1onl n THR 86 N -2.43 2.21 0.27 -0.18 -1.04 0.61 -4.92 114.28 108.81 1onl n THR 86 Ca -0.16 -5.19 0.11 0.00 -2.04 0.00 0.00 64.05 56.77 1onl n THR 86 Cb 0.79 -1.87 0.75 0.00 -1.82 0.00 0.00 70.33 68.17 1onl n THR 86 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1onl h PRO 87 N 3.85 0.00 0.00 -2.82 0.13 -1.73 -2.53 132.00 128.90 1onl h PRO 87 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1onl h PRO 87 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1onl h PRO 87 CO 0.79 0.06 0.01 -0.85 -0.23 0.00 0.00 178.00 177.79 1onl n GLU 88 N -4.01 0.08 0.30 0.86 0.28 -1.22 -1.53 120.64 115.40 1onl n GLU 88 Ca -0.03 0.57 0.20 0.00 -0.16 0.00 0.00 57.16 57.75 1onl n GLU 88 Cb 0.15 -1.77 1.09 0.00 1.43 0.00 0.00 31.44 32.33 1onl n GLU 88 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1onl h LEU 89 N 0.00 0.00 -0.52 -1.84 3.38 -1.79 -0.72 115.31 113.82 1onl h LEU 89 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1onl h LEU 89 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1onl h LEU 89 CO 0.00 0.00 -0.32 0.58 0.09 0.00 0.00 178.44 178.79 1onl h VAL 90 N 0.00 1.28 0.04 1.22 2.07 -1.54 -1.21 116.25 118.11 1onl h VAL 90 Ca 0.00 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 1onl h VAL 90 Cb 0.01 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1onl h VAL 90 CO 0.00 0.50 -0.33 0.78 0.02 0.00 0.00 177.57 178.53 1onl h ASN 91 N 0.71 0.22 0.80 0.57 -0.26 -1.37 -2.85 115.58 113.40 1onl h ASN 91 Ca 0.07 -0.91 -0.06 0.00 -0.56 0.00 0.00 56.30 54.85 1onl h ASN 91 Cb 0.88 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.07 1onl h ASN 91 CO 0.08 1.11 -0.27 1.56 -1.06 0.00 0.00 177.43 178.85 1onl h GLN 92 N -0.63 0.00 -0.06 0.81 4.20 -1.47 -3.39 115.11 114.56 1onl h GLN 92 Ca -0.05 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.41 1onl h GLN 92 Cb 1.19 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.82 1onl h GLN 92 CO 0.06 0.27 -0.48 -3.47 -0.67 0.00 0.00 178.83 174.54 1onl n ASP 93 N -3.50 -2.41 -0.18 1.46 2.03 -0.46 -5.01 116.55 108.50 1onl n ASP 93 Ca -0.00 -3.58 0.29 0.00 0.52 0.00 0.00 54.79 52.01 1onl n ASP 93 Cb 0.43 1.84 0.73 0.00 -0.72 0.00 0.00 41.12 43.39 1onl n ASP 93 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1onl h PRO 94 N 3.27 0.00 0.00 -0.67 0.13 -1.60 0.46 132.00 133.58 1onl h PRO 94 Ca -0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 1onl h PRO 94 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1onl h PRO 94 CO 0.19 0.00 -1.50 0.66 -0.23 0.00 0.00 178.00 177.12 1onl n TYR 95 N -4.20 0.61 0.00 1.56 4.01 -1.26 -4.16 117.16 113.73 1onl n TYR 95 Ca 0.19 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1onl n TYR 95 Cb 0.98 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1onl n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1onl n GLY 96 N 1.30 0.33 0.00 2.72 0.00 -0.68 -4.71 105.19 104.15 1onl n GLY 96 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1onl n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1onl n GLU 97 N 0.00 0.01 -0.04 1.61 1.02 -1.22 -2.10 120.64 119.92 1onl n GLU 97 Ca 0.00 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1onl n GLU 97 Cb 0.00 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.30 1onl n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1onl n GLY 98 N -1.19 0.44 3.67 0.62 0.00 0.06 -4.81 105.19 103.99 1onl n GLY 98 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1onl n GLY 98 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1onl n TRP 99 N 0.56 1.83 -0.07 1.61 4.27 -0.89 -4.69 117.44 120.05 1onl n TRP 99 Ca 0.17 0.52 -0.22 0.00 -3.89 0.00 0.00 57.50 54.08 1onl n TRP 99 Cb 0.42 -2.33 -0.12 0.00 -1.36 0.00 0.00 31.31 27.92 1onl n TRP 99 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 1onl n ILE 100 N -0.32 1.61 -3.76 -1.67 5.41 0.20 -4.67 119.36 116.16 1onl n ILE 100 Ca 0.08 -0.30 -0.08 0.00 1.00 0.00 0.00 62.75 63.45 1onl n ILE 100 Cb 0.39 -1.89 -0.02 0.00 -0.71 0.00 0.00 39.64 37.41 1onl n ILE 100 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1onl s PHE 101 N -2.45 -0.27 -0.21 1.39 -0.12 -1.10 -2.32 117.98 112.91 1onl s PHE 101 Ca -0.28 -0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 56.41 1onl s PHE 101 Cb 0.07 0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 43.12 1onl s PHE 101 CO 0.64 -1.15 0.00 0.50 -0.05 0.00 0.00 175.22 175.16 1onl s ARG 102 N -3.88 3.59 -0.08 1.99 3.52 -0.44 -0.26 118.95 123.38 1onl s ARG 102 Ca 0.09 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 1onl s ARG 102 Cb -0.05 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 1onl s ARG 102 CO 0.03 -0.04 -0.09 -1.17 -0.81 0.00 0.00 175.30 173.21 1onl s LEU 103 N 1.13 2.99 -0.52 -0.88 2.96 0.37 -1.69 118.68 123.05 1onl s LEU 103 Ca 0.03 -0.13 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 1onl s LEU 103 Cb -0.14 -1.65 0.13 0.00 0.50 0.00 0.00 46.19 45.03 1onl s LEU 103 CO 0.01 0.31 0.41 -0.75 -1.32 0.00 0.00 176.35 175.01 1onl s LYS 104 N -0.49 2.64 0.38 1.98 2.20 -0.33 -1.11 119.74 125.01 1onl s LYS 104 Ca 0.07 -1.85 -0.26 0.00 -0.36 0.00 0.00 55.97 53.57 1onl s LYS 104 Cb -0.12 -4.01 -0.11 0.00 -1.51 0.00 0.00 37.83 32.07 1onl s LYS 104 CO 0.02 -1.22 1.14 -2.30 -0.36 0.00 0.00 175.35 172.63 1onl n PRO 105 N 4.82 1.68 0.02 4.03 -0.02 -1.26 -1.92 135.00 142.36 1onl n PRO 105 Ca -0.07 0.60 -0.04 0.00 -2.02 0.00 0.00 63.50 61.97 1onl n PRO 105 Cb 0.41 -2.16 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 1onl n PRO 105 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1onl h ARG 106 N 1.99 0.47 -2.88 -0.52 0.11 -1.62 -3.41 114.38 108.51 1onl h ARG 106 Ca -0.45 -0.18 -0.32 0.00 0.10 0.00 0.00 59.98 59.13 1onl h ARG 106 Cb 1.31 -0.02 -0.36 0.00 1.11 0.00 0.00 29.97 32.01 1onl h ARG 106 CO 0.60 0.70 -0.65 0.34 0.10 0.00 0.00 179.97 181.06 1onl s ASP 107 N -6.82 1.18 0.59 0.08 2.15 -1.26 -5.02 116.67 107.56 1onl s ASP 107 Ca -0.07 0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.22 1onl s ASP 107 Cb 0.14 0.25 1.66 0.00 -0.30 0.00 0.00 42.92 44.67 1onl s ASP 107 CO 0.79 -0.29 2.11 0.24 -0.17 0.00 0.00 175.17 177.85 1onl h MET 108 N 8.35 0.00 0.00 4.34 2.86 -1.95 -0.95 114.93 127.58 1onl h MET 108 Ca -0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1onl h MET 108 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1onl h MET 108 CO 0.21 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.59 1onl n GLY 109 N -1.40 -1.09 0.22 8.32 0.00 -1.26 -2.23 105.19 107.75 1onl n GLY 109 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1onl n GLY 109 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1onl h ASP 110 N 0.00 0.28 -0.88 1.61 3.45 -1.61 -2.60 116.42 116.67 1onl h ASP 110 Ca 0.00 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.42 1onl h ASP 110 Cb 0.24 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 38.88 1onl h ASP 110 CO 0.00 0.54 0.58 -0.07 -1.57 0.00 0.00 179.24 178.72 1onl h LEU 111 N 0.26 0.92 -0.86 1.55 4.07 -1.64 0.42 115.31 120.03 1onl h LEU 111 Ca 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1onl h LEU 111 Cb 0.59 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1onl h LEU 111 CO 0.04 0.62 0.13 0.47 -1.08 0.00 0.00 178.44 178.62 1onl n ASP 112 N -4.46 0.33 -1.49 -0.43 10.43 -0.98 -0.15 116.55 119.80 1onl n ASP 112 Ca 0.12 0.59 0.06 0.00 2.57 0.00 0.00 54.79 58.13 1onl n ASP 112 Cb 0.14 -0.60 0.30 0.00 1.84 0.00 0.00 41.12 42.80 1onl n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1onl n GLU 113 N -1.96 3.73 -4.09 -1.24 -0.58 0.14 -4.91 120.64 111.73 1onl n GLU 113 Ca -0.01 -2.35 -0.25 0.00 -0.42 0.00 0.00 57.16 54.13 1onl n GLU 113 Cb 0.15 -1.99 -0.06 0.00 -0.57 0.00 0.00 31.44 28.98 1onl n GLU 113 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1onl s LEU 114 N -1.94 2.98 0.37 -4.62 1.43 0.78 -5.13 118.68 112.56 1onl s LEU 114 Ca 0.41 -1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 52.16 1onl s LEU 114 Cb 0.30 -1.38 -0.10 0.00 0.03 0.00 0.00 46.19 45.04 1onl s LEU 114 CO 0.14 -0.70 0.89 -0.76 0.23 0.00 0.00 176.35 176.15 1onl s LEU 115 N -4.00 4.08 0.55 1.79 1.43 -0.50 -4.84 118.68 117.18 1onl s LEU 115 Ca 0.37 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 55.16 1onl s LEU 115 Cb 0.02 -4.27 0.06 0.00 0.03 0.00 0.00 46.19 42.03 1onl s LEU 115 CO 0.21 -0.24 0.59 1.51 0.23 0.00 0.00 176.35 178.65 1onl s ASP 116 N -2.05 4.88 0.23 2.29 1.47 -1.26 0.11 116.67 122.34 1onl s ASP 116 Ca 0.57 -1.03 -0.15 0.00 1.18 0.00 0.00 52.55 53.11 1onl s ASP 116 Cb -0.12 0.31 0.26 0.00 -0.34 0.00 0.00 42.92 43.03 1onl s ASP 116 CO 0.17 -1.19 1.58 0.00 0.68 0.00 0.00 175.17 176.40 1onl h ALA 117 N 0.49 0.27 -0.33 2.11 0.00 -1.83 0.83 119.26 120.81 1onl h ALA 117 Ca -0.34 0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1onl h ALA 117 Cb 1.29 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1onl h ALA 117 CO 0.49 -0.54 0.10 0.78 0.00 0.00 0.00 179.25 180.08 1onl h GLY 118 N -0.05 0.40 0.89 0.00 0.00 -1.95 -1.74 103.07 100.62 1onl h GLY 118 Ca 0.34 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1onl h GLY 118 CO -0.85 0.01 0.47 -1.33 0.00 0.00 0.00 176.54 174.84 1onl h GLY 119 N 0.23 1.06 1.67 4.60 0.00 -1.29 -2.31 103.07 107.04 1onl h GLY 119 Ca 0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1onl h GLY 119 CO -0.17 0.31 -0.21 -1.82 0.00 0.00 0.00 176.54 174.65 1onl h TYR 120 N 0.92 0.42 -0.69 5.60 3.20 -0.64 -1.99 116.97 123.78 1onl h TYR 120 Ca 0.29 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1onl h TYR 120 Cb -0.00 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 1onl h TYR 120 CO -0.04 0.58 0.32 0.37 -1.64 0.00 0.00 178.16 177.75 1onl h GLN 121 N 0.35 1.01 0.03 1.82 4.15 -0.82 -2.44 115.11 119.21 1onl h GLN 121 Ca 0.06 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.33 1onl h GLN 121 Cb 0.57 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1onl h GLN 121 CO 0.04 0.80 -0.36 1.49 -1.93 0.00 0.00 178.83 178.88 1onl h GLU 122 N 0.97 -0.45 -0.86 1.69 4.57 -0.85 -0.67 114.58 118.98 1onl h GLU 122 Ca 0.24 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.57 1onl h GLU 122 Cb 0.14 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 28.70 1onl h GLU 122 CO -0.03 -0.30 -0.44 0.28 -1.18 0.00 0.00 179.01 177.34 1onl h VAL 123 N -0.47 0.04 -0.67 0.32 2.07 -1.29 0.16 116.25 116.40 1onl h VAL 123 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 1onl h VAL 123 Cb 0.49 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 1onl h VAL 123 CO -0.22 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.74 1onl h LEU 124 N -0.07 0.62 0.00 2.57 3.38 -1.02 -1.72 115.31 119.07 1onl h LEU 124 Ca 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1onl h LEU 124 Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1onl h LEU 124 CO -0.88 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 177.44 1onl n GLU 125 N -4.47 0.03 -0.29 1.13 1.02 0.47 -3.15 120.64 115.37 1onl n GLU 125 Ca 0.09 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1onl n GLU 125 Cb 0.20 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.26 1onl n GLU 125 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1onl n SER 126 N -1.49 1.92 -4.28 1.62 3.41 -0.67 -5.00 113.62 109.13 1onl n SER 126 Ca 0.07 -3.15 -0.33 0.00 -0.26 0.00 0.00 58.87 55.21 1onl n SER 126 Cb 0.31 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 1onl n SER 126 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1onl s GLU 127 N -2.58 3.22 0.00 4.33 2.12 -0.91 -5.02 118.70 119.85 1onl s GLU 127 Ca 0.30 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1onl s GLU 127 Cb 0.28 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1onl s GLU 127 CO -0.00 0.11 0.19 0.00 -0.54 0.00 0.00 175.26 175.02