#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 -0.41 0.39 2.12 1.01 -1.26 -4.70 121.20 118.35 1onl s ILE 3 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 1onl s ILE 3 Cb 0.00 -0.75 -0.12 0.00 0.01 0.00 0.00 42.46 41.60 1onl s ILE 3 CO 0.00 -0.50 0.96 -0.81 0.00 0.00 0.00 174.94 174.59 1onl n PRO 4 N 4.62 1.27 -1.31 2.79 -0.04 -1.26 -4.90 135.00 136.18 1onl n PRO 4 Ca 0.07 0.45 -0.28 0.00 -0.04 0.00 0.00 63.50 63.70 1onl n PRO 4 Cb 0.46 -1.94 0.12 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.34 2.54 -0.02 0.54 4.01 -1.26 -4.32 118.16 119.99 1onl n LYS 5 Ca 0.10 -3.25 0.01 0.00 -0.51 0.00 0.00 58.31 54.66 1onl n LYS 5 Cb 0.37 -2.22 0.02 0.00 -0.51 0.00 0.00 35.03 32.69 1onl n LYS 5 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1onl n ASP 6 N -1.00 1.70 -3.81 4.39 5.68 -1.26 -4.92 116.55 117.32 1onl n ASP 6 Ca 0.59 -1.57 -0.15 0.00 -0.50 0.00 0.00 54.79 53.15 1onl n ASP 6 Cb 1.06 -0.02 -0.09 0.00 -1.14 0.00 0.00 41.12 40.93 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 -0.61 1.47 0.39 0.11 1.70 -1.26 -4.44 118.95 116.30 1onl s ARG 7 Ca 0.03 -1.78 0.02 0.00 -0.47 0.00 0.00 55.73 53.53 1onl s ARG 7 Cb 0.02 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 1onl s ARG 7 CO 0.03 -0.52 0.58 -0.06 -1.08 0.00 0.00 175.30 174.25 1onl s PHE 8 N -3.82 3.25 0.05 5.89 0.40 0.18 -4.29 117.98 119.65 1onl s PHE 8 Ca 0.39 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.86 1onl s PHE 8 Cb 0.05 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1onl s PHE 8 CO 0.19 -0.15 -0.07 0.71 0.70 0.00 0.00 175.22 176.59 1onl s TYR 9 N -2.39 0.70 0.15 0.36 2.02 0.74 -0.39 117.35 118.55 1onl s TYR 9 Ca 0.45 -0.61 0.08 0.00 -0.37 0.00 0.00 57.07 56.62 1onl s TYR 9 Cb -0.10 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1onl s TYR 9 CO 0.35 -0.11 -0.05 0.99 -1.57 0.00 0.00 175.55 175.16 1onl s THR 10 N -1.94 3.49 -1.28 -0.71 2.01 0.87 -1.87 115.64 116.21 1onl s THR 10 Ca -0.05 -1.43 0.18 0.00 0.31 0.00 0.00 61.69 60.70 1onl s THR 10 Cb -0.06 -2.71 0.26 0.00 0.01 0.00 0.00 72.50 70.00 1onl s THR 10 CO -0.01 -0.04 1.57 2.29 -0.69 0.00 0.00 174.62 177.74 1onl n LYS 11 N 0.18 0.17 -0.61 4.92 2.85 -1.26 -1.63 118.16 122.78 1onl n LYS 11 Ca -0.11 0.14 0.06 0.00 -1.05 0.00 0.00 58.31 57.35 1onl n LYS 11 Cb 0.54 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.71 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 -1.36 1.84 -3.33 0.58 -2.24 -1.26 -4.93 114.28 103.58 1onl n THR 12 Ca 0.07 -0.98 -0.18 0.00 -2.27 0.00 0.00 64.05 60.69 1onl n THR 12 Cb 0.17 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.55 -2.20 -4.34 4.78 8.25 -0.65 -5.02 115.22 116.60 1onl n HIS 13 Ca 0.20 0.77 -0.26 0.00 -0.26 0.00 0.00 57.72 58.18 1onl n HIS 13 Cb 0.88 -4.08 -0.13 0.00 1.12 0.00 0.00 29.99 27.78 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 -5.99 1.27 0.04 -0.41 2.02 -1.25 -2.15 118.70 112.23 1onl s GLU 14 Ca 0.44 -1.28 0.09 0.00 0.02 0.00 0.00 54.97 54.24 1onl s GLU 14 Cb -0.19 -1.61 -0.03 0.00 0.10 0.00 0.00 34.13 32.40 1onl s GLU 14 CO 0.55 0.37 -0.25 1.67 0.02 0.00 0.00 175.26 177.62 1onl s TRP 15 N -1.23 2.24 -0.23 1.61 1.48 -0.15 -0.09 118.94 122.56 1onl s TRP 15 Ca 0.11 -0.41 0.02 0.00 -1.06 0.00 0.00 56.10 54.76 1onl s TRP 15 Cb -0.10 -1.34 0.05 0.00 -1.16 0.00 0.00 33.47 30.92 1onl s TRP 15 CO 0.05 0.11 -0.12 0.00 -4.06 0.00 0.00 176.95 172.94 1onl s ALA 16 N -0.79 2.39 -0.43 2.67 0.00 0.48 -2.25 121.76 123.82 1onl s ALA 16 Ca 0.11 -1.55 -0.19 0.00 0.00 0.00 0.00 51.96 50.33 1onl s ALA 16 Cb -0.10 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1onl s ALA 16 CO 0.02 -0.99 0.57 -1.17 0.00 0.00 0.00 175.76 174.18 1onl s LEU 17 N 1.20 4.61 0.32 0.00 0.20 -0.13 0.52 118.68 125.41 1onl s LEU 17 Ca -0.05 -0.43 -0.29 0.00 0.69 0.00 0.00 54.13 54.05 1onl s LEU 17 Cb -0.18 -2.60 -0.11 0.00 -0.43 0.00 0.00 46.19 42.86 1onl s LEU 17 CO -0.07 -0.69 1.58 -2.84 -0.29 0.00 0.00 176.35 174.03 1onl s PRO 18 N 2.56 4.10 -0.31 0.98 0.02 -1.26 -1.52 135.00 139.58 1onl s PRO 18 Ca 0.19 2.61 0.06 0.00 0.02 0.00 0.00 61.00 63.87 1onl s PRO 18 Cb -0.15 -3.00 0.19 0.00 0.02 0.00 0.00 34.50 31.56 1onl s PRO 18 CO 0.17 -0.63 0.57 -1.21 -0.33 0.00 0.00 177.00 175.57 1onl s GLU 19 N -1.04 0.58 7.97 5.54 2.02 -0.63 -4.93 118.70 128.22 1onl s GLU 19 Ca 0.60 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.98 1onl s GLU 19 Cb -0.48 0.16 0.00 0.00 0.10 0.00 0.00 34.13 33.91 1onl s GLU 19 CO 0.53 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1onl n GLY 20 N 5.28 4.06 1.54 -1.39 0.00 -1.26 -1.38 105.19 112.04 1onl n GLY 20 Ca 0.05 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 8.58 3.29 -2.64 1.61 5.75 -1.26 -4.98 116.55 126.91 1onl n ASP 21 Ca 0.00 -3.57 -0.14 0.00 -0.01 0.00 0.00 54.79 51.07 1onl n ASP 21 Cb 0.00 -0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 39.34 1onl n ASP 21 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1onl n THR 22 N -0.94 0.00 -3.69 2.12 -2.24 -0.48 -4.24 114.28 104.82 1onl n THR 22 Ca 0.40 -1.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.43 1onl n THR 22 Cb 1.24 0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 70.15 1onl n THR 22 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1onl s VAL 23 N -2.86 -0.03 0.40 2.28 -7.23 -0.22 -1.60 120.40 111.14 1onl s VAL 23 Ca 0.25 0.09 -0.23 0.00 -1.81 0.00 0.00 61.98 60.28 1onl s VAL 23 Cb 0.01 -0.62 -0.10 0.00 0.56 0.00 0.00 36.38 36.23 1onl s VAL 23 CO 0.17 0.04 0.97 -0.76 -0.31 0.00 0.00 175.10 175.21 1onl s LEU 24 N 1.41 4.08 -0.02 1.32 1.43 -0.57 -1.52 118.68 124.80 1onl s LEU 24 Ca -0.10 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1onl s LEU 24 Cb -0.08 -4.33 -0.00 0.00 0.03 0.00 0.00 46.19 41.80 1onl s LEU 24 CO -0.13 -0.33 -0.12 -0.69 0.23 0.00 0.00 176.35 175.32 1onl s VAL 25 N -1.92 0.96 0.04 -1.59 1.01 0.43 -0.95 120.40 118.37 1onl s VAL 25 Ca 0.58 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1onl s VAL 25 Cb -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1onl s VAL 25 CO 0.19 0.28 0.07 0.61 0.00 0.00 0.00 175.10 176.25 1onl n GLY 26 N 3.10 2.42 3.52 4.51 0.00 -0.96 0.29 105.19 118.07 1onl n GLY 26 Ca -0.17 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.70 3.03 1.11 -0.61 -4.36 -1.26 -0.98 121.20 115.43 1onl s ILE 27 Ca 0.02 -1.41 -0.14 0.00 -0.26 0.00 0.00 60.65 58.87 1onl s ILE 27 Cb -0.00 -2.40 0.25 0.00 1.25 0.00 0.00 42.46 41.56 1onl s ILE 27 CO 0.02 0.11 1.06 0.42 0.24 0.00 0.00 174.94 176.79 1onl s THR 28 N -1.16 1.90 0.26 8.37 -4.23 -0.91 -4.49 115.64 115.37 1onl s THR 28 Ca 0.19 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.69 1onl s THR 28 Cb -0.11 -2.34 0.09 0.00 1.34 0.00 0.00 72.50 71.48 1onl s THR 28 CO 0.11 0.00 1.73 -0.78 -0.54 0.00 0.00 174.62 175.14 1onl h ASP 29 N -2.33 0.68 -0.26 3.99 1.82 -1.93 -1.99 116.42 116.40 1onl h ASP 29 Ca -0.55 -0.20 0.02 0.00 -0.39 0.00 0.00 57.03 55.91 1onl h ASP 29 Cb 1.33 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 1onl h ASP 29 CO 0.51 0.82 0.10 0.22 -1.61 0.00 0.00 179.24 179.28 1onl h TYR 30 N 0.63 0.19 -0.33 0.28 3.20 -1.91 -1.97 116.97 117.05 1onl h TYR 30 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1onl h TYR 30 Cb 0.56 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1onl h TYR 30 CO 0.03 0.09 0.22 0.00 -1.64 0.00 0.00 178.16 176.86 1onl h ALA 31 N 1.15 0.42 0.00 1.82 0.00 -1.73 -2.37 119.26 118.55 1onl h ALA 31 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1onl h ALA 31 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1onl h ALA 31 CO -0.10 -0.11 -0.24 -0.56 0.00 0.00 0.00 179.25 178.23 1onl h GLN 32 N 0.45 0.00 -0.22 0.00 -0.00 -1.17 -2.06 115.11 112.11 1onl h GLN 32 Ca 0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.57 1onl h GLN 32 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.43 1onl h GLN 32 CO -0.03 0.24 -0.64 0.22 -0.00 0.00 0.00 178.83 178.62 1onl h ASP 33 N 0.00 0.90 0.85 0.06 3.58 -1.05 -1.58 116.42 119.18 1onl h ASP 33 Ca -0.00 -0.53 -0.04 0.00 0.42 0.00 0.00 57.03 56.88 1onl h ASP 33 Cb 0.56 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1onl h ASP 33 CO 0.03 1.32 -0.18 0.00 -2.88 0.00 0.00 179.24 177.53 1onl h ALA 34 N 0.68 1.05 0.13 -0.78 0.00 -1.02 -3.10 119.26 116.23 1onl h ALA 34 Ca -0.01 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 1onl h ALA 34 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1onl h ALA 34 CO 0.14 0.22 -1.64 -0.07 0.00 0.00 0.00 179.25 177.89 1onl h LEU 35 N 0.00 0.43 0.00 0.00 3.38 -1.22 -3.48 115.31 114.41 1onl h LEU 35 Ca -0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1onl h LEU 35 Cb 0.65 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1onl h LEU 35 CO 0.02 1.55 0.00 0.61 0.09 0.00 0.00 178.44 180.71 1onl n GLY 36 N 1.74 -1.91 3.49 0.83 0.00 -0.61 -4.46 105.19 104.27 1onl n GLY 36 Ca -0.20 -1.46 -0.49 0.00 0.00 0.00 0.00 46.02 43.87 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 0.64 2.41 -4.70 1.61 8.00 -1.26 -4.87 116.55 118.38 1onl n ASP 37 Ca 0.00 0.39 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 1onl n ASP 37 Cb 0.00 -1.33 -0.03 0.00 -0.02 0.00 0.00 41.12 39.75 1onl n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1onl s VAL 38 N 7.37 4.25 -0.07 2.53 1.01 -1.26 -1.94 120.40 132.28 1onl s VAL 38 Ca 1.07 1.60 0.07 0.00 0.00 0.00 0.00 61.98 64.72 1onl s VAL 38 Cb -0.75 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 31.51 1onl s VAL 38 CO 0.46 0.06 0.04 1.33 0.00 0.00 0.00 175.10 177.00 1onl n VAL 39 N 4.29 0.48 -3.82 2.92 0.24 0.13 -3.98 118.33 118.59 1onl n VAL 39 Ca 0.10 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1onl n VAL 39 Cb 0.47 -0.67 -0.11 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.23 -0.13 -0.13 6.34 5.04 -0.75 -4.80 117.35 120.69 1onl s TYR 40 Ca -0.04 0.28 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1onl s TYR 40 Cb 0.03 0.03 0.04 0.00 0.35 0.00 0.00 41.96 42.41 1onl s TYR 40 CO 0.33 -0.20 -0.01 0.08 -1.34 0.00 0.00 175.55 174.41 1onl s VAL 41 N -0.55 0.67 -0.74 3.14 1.01 -1.26 0.42 120.40 123.09 1onl s VAL 41 Ca -0.06 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1onl s VAL 41 Cb -0.04 -0.91 0.12 0.00 0.00 0.00 0.00 36.38 35.55 1onl s VAL 41 CO 0.01 0.11 0.89 -0.70 0.00 0.00 0.00 175.10 175.42 1onl s GLU 42 N 1.83 3.30 0.51 2.72 2.12 0.45 -4.83 118.70 124.80 1onl s GLU 42 Ca 0.02 -1.52 -0.22 0.00 0.36 0.00 0.00 54.97 53.61 1onl s GLU 42 Cb -0.14 -4.48 -0.06 0.00 0.26 0.00 0.00 34.13 29.70 1onl s GLU 42 CO -0.07 -1.63 1.30 -0.51 -0.54 0.00 0.00 175.26 173.81 1onl s LEU 43 N 2.61 3.93 0.90 2.70 1.43 -1.26 -2.26 118.68 126.72 1onl s LEU 43 Ca 0.21 2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 1onl s LEU 43 Cb -0.15 -4.23 0.13 0.00 0.03 0.00 0.00 46.19 41.97 1onl s LEU 43 CO 0.00 -1.32 1.09 -2.16 0.23 0.00 0.00 176.35 174.19 1onl s PRO 44 N -2.79 1.24 -0.24 1.29 0.04 -1.25 -4.92 135.00 128.37 1onl s PRO 44 Ca 0.68 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.22 1onl s PRO 44 Cb -0.37 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1onl s PRO 44 CO 0.44 -2.24 0.96 -2.00 0.04 0.00 0.00 177.00 174.20 1onl s GLU 45 N -4.96 4.22 0.61 4.56 2.12 -1.26 -4.93 118.70 119.06 1onl s GLU 45 Ca 0.63 1.19 -0.19 0.00 0.36 0.00 0.00 54.97 56.96 1onl s GLU 45 Cb -0.18 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1onl s GLU 45 CO 0.57 -0.59 1.22 0.08 -0.54 0.00 0.00 175.26 175.99 1onl s VAL 46 N 3.07 2.54 0.00 3.70 1.01 -1.26 -2.58 120.40 126.87 1onl s VAL 46 Ca 0.40 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1onl s VAL 46 Cb -0.15 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1onl s VAL 46 CO 0.07 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1onl n GLY 47 N 0.55 2.68 3.73 4.51 0.00 0.10 -4.98 105.19 111.78 1onl n GLY 47 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.18 4.62 -0.40 1.61 3.52 -1.07 -4.82 118.95 122.23 1onl s ARG 48 Ca 0.00 1.55 -0.20 0.00 -0.13 0.00 0.00 55.73 56.96 1onl s ARG 48 Cb 0.00 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1onl s ARG 48 CO 0.00 0.08 0.59 0.08 -0.81 0.00 0.00 175.30 175.24 1onl s VAL 49 N 0.23 4.90 0.34 7.11 1.01 -1.26 -1.21 120.40 131.52 1onl s VAL 49 Ca 0.50 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.76 1onl s VAL 49 Cb -0.25 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1onl s VAL 49 CO 0.31 -0.45 0.08 0.68 0.00 0.00 0.00 175.10 175.72 1onl s VAL 50 N 2.64 2.86 0.32 2.92 -7.23 0.78 -4.99 120.40 117.70 1onl s VAL 50 Ca 0.21 -1.82 0.07 0.00 -1.81 0.00 0.00 61.98 58.63 1onl s VAL 50 Cb -0.15 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1onl s VAL 50 CO 0.17 -0.19 0.33 -1.61 -0.31 0.00 0.00 175.10 173.48 1onl s GLU 51 N -3.79 2.89 0.10 4.82 0.41 -1.26 -1.61 118.70 120.26 1onl s GLU 51 Ca 0.36 -1.16 -0.31 0.00 -0.41 0.00 0.00 54.97 53.45 1onl s GLU 51 Cb -0.01 -2.60 -0.09 0.00 -1.78 0.00 0.00 34.13 29.65 1onl s GLU 51 CO 0.21 0.14 1.64 0.21 -0.49 0.00 0.00 175.26 176.98 1onl s LYS 52 N -4.02 4.20 0.00 1.61 2.20 -1.26 -2.14 119.74 120.32 1onl s LYS 52 Ca 0.41 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1onl s LYS 52 Cb -0.07 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1onl s LYS 52 CO 0.28 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1onl n GLY 53 N 3.95 0.86 3.71 5.54 0.00 -0.07 -4.93 105.19 114.25 1onl n GLY 53 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.28 4.54 0.09 1.61 2.12 -0.91 -4.66 118.70 121.21 1onl s GLU 54 Ca 0.00 1.54 -0.31 0.00 0.36 0.00 0.00 54.97 56.57 1onl s GLU 54 Cb 0.00 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 1onl s GLU 54 CO 0.00 -0.07 1.77 0.00 -0.54 0.00 0.00 175.26 176.41 1onl s ALA 55 N 0.83 3.72 0.00 6.30 0.00 -1.26 -1.66 121.76 129.69 1onl s ALA 55 Ca 0.53 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1onl s ALA 55 Cb -0.24 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1onl s ALA 55 CO 0.29 -1.21 0.00 1.33 0.00 0.00 0.00 175.76 176.17 1onl n VAL 56 N 4.80 0.00 -4.07 0.00 0.24 0.13 -4.94 118.33 114.49 1onl n VAL 56 Ca 0.17 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.37 1onl n VAL 56 Cb 0.39 0.16 -0.07 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.82 0.25 -0.04 2.33 0.00 -0.96 -3.82 121.76 117.70 1onl s ALA 57 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1onl s ALA 57 Cb 0.00 1.18 0.03 0.00 0.00 0.00 0.00 23.12 24.33 1onl s ALA 57 CO 0.00 -0.77 0.03 0.08 0.00 0.00 0.00 175.76 175.10 1onl s VAL 58 N -4.04 0.05 -0.25 0.00 1.01 -0.96 0.50 120.40 116.70 1onl s VAL 58 Ca 0.28 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 1onl s VAL 58 Cb 0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1onl s VAL 58 CO 0.10 0.17 0.12 0.54 0.00 0.00 0.00 175.10 176.04 1onl s VAL 59 N 1.71 4.82 -0.11 2.92 0.11 -0.28 -0.41 120.40 129.15 1onl s VAL 59 Ca -0.00 -0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1onl s VAL 59 Cb -0.13 -3.26 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 1onl s VAL 59 CO -0.03 0.32 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.39 1onl s GLU 60 N 1.49 3.23 0.40 1.54 0.41 0.17 -1.43 118.70 124.50 1onl s GLU 60 Ca 0.06 -0.53 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 1onl s GLU 60 Cb -0.15 -2.75 -0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1onl s GLU 60 CO 0.06 0.45 0.01 -1.13 -0.49 0.00 0.00 175.26 174.16 1onl n SER 61 N 2.90 2.93 -0.05 -0.19 3.41 -0.67 0.19 113.62 122.14 1onl n SER 61 Ca -0.18 -2.77 -0.15 0.00 -0.26 0.00 0.00 58.87 55.52 1onl n SER 61 Cb 0.53 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.74 1onl n SER 61 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1onl h VAL 62 N 1.24 1.35 0.18 -3.33 -1.51 -1.65 -3.36 116.25 109.17 1onl h VAL 62 Ca -0.33 -1.62 -0.25 0.00 -1.23 0.00 0.00 66.70 63.27 1onl h VAL 62 Cb 1.01 1.99 0.03 0.00 -2.13 0.00 0.00 31.29 32.19 1onl h VAL 62 CO 0.54 0.49 -1.08 0.07 -1.23 0.00 0.00 177.57 176.37 1onl h LYS 63 N 0.15 0.40 0.00 5.19 2.10 -1.86 -3.49 116.57 119.06 1onl h LYS 63 Ca -0.00 -0.68 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 1onl h LYS 63 Cb 0.96 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1onl h LYS 63 CO 0.08 1.32 0.00 0.25 -2.00 0.00 0.00 179.45 179.10 1onl n THR 64 N -3.97 0.00 -3.63 0.07 -2.24 -1.26 -5.19 114.28 98.07 1onl n THR 64 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1onl n THR 64 Cb 0.93 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1onl n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1onl s ALA 65 N -1.70 -2.15 -0.22 6.98 0.00 -1.26 -1.66 121.76 121.74 1onl s ALA 65 Ca 0.00 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 1onl s ALA 65 Cb 0.00 0.34 0.06 0.00 0.00 0.00 0.00 23.12 23.52 1onl s ALA 65 CO 0.00 -1.00 0.59 0.45 0.00 0.00 0.00 175.76 175.80 1onl s SER 66 N -2.89 -0.62 0.14 0.00 0.15 -0.52 -5.01 113.70 104.96 1onl s SER 66 Ca 0.13 1.20 -0.23 0.00 0.70 0.00 0.00 55.95 57.75 1onl s SER 66 Cb 0.04 1.21 -0.08 0.00 -1.71 0.00 0.00 66.02 65.48 1onl s SER 66 CO -0.03 -0.21 0.71 -1.81 1.20 0.00 0.00 173.24 173.10 1onl s ASP 67 N 0.34 7.28 -0.15 5.45 1.11 -1.26 -1.12 116.67 128.32 1onl s ASP 67 Ca -0.00 1.52 -0.07 0.00 0.18 0.00 0.00 52.55 54.18 1onl s ASP 67 Cb -0.04 -2.45 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1onl s ASP 67 CO 0.00 0.22 0.10 -0.63 1.18 0.00 0.00 175.17 176.05 1onl s ILE 68 N -1.15 5.18 0.27 0.77 -1.09 0.18 -4.96 121.20 120.39 1onl s ILE 68 Ca 0.34 0.10 0.09 0.00 -2.23 0.00 0.00 60.65 58.95 1onl s ILE 68 Cb -0.22 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1onl s ILE 68 CO 0.24 0.54 0.01 -0.31 -1.23 0.00 0.00 174.94 174.18 1onl s TYR 69 N -0.35 2.72 -0.05 3.97 1.51 -1.26 0.20 117.35 124.09 1onl s TYR 69 Ca 0.10 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.65 1onl s TYR 69 Cb -0.12 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1onl s TYR 69 CO 0.01 0.61 1.38 0.00 -1.11 0.00 0.00 175.55 176.45 1onl s ALA 70 N -2.31 3.59 0.25 3.71 0.00 -0.66 -4.87 121.76 121.47 1onl s ALA 70 Ca 0.32 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.00 1onl s ALA 70 Cb -0.06 -3.61 0.39 0.00 0.00 0.00 0.00 23.12 19.83 1onl s ALA 70 CO 0.20 -1.02 1.85 -1.35 0.00 0.00 0.00 175.76 175.45 1onl h PRO 71 N 8.12 0.99 -4.29 0.00 0.11 -1.93 -0.16 132.00 134.84 1onl h PRO 71 Ca -0.35 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.51 1onl h PRO 71 Cb 1.16 -0.22 -0.13 0.00 0.11 0.00 0.00 31.00 31.92 1onl h PRO 71 CO 0.92 0.66 -0.44 0.14 -0.21 0.00 0.00 178.00 179.07 1onl s VAL 72 N -6.04 0.00 0.48 3.15 -7.23 -1.26 -4.60 120.40 104.90 1onl s VAL 72 Ca -0.12 -1.80 -0.23 0.00 -1.81 0.00 0.00 61.98 58.02 1onl s VAL 72 Cb 0.19 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.65 1onl s VAL 72 CO 0.80 0.00 1.20 0.00 -0.31 0.00 0.00 175.10 176.79 1onl s ALA 73 N -4.03 2.93 0.00 1.32 0.00 -1.26 -4.36 121.76 116.36 1onl s ALA 73 Ca 0.34 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1onl s ALA 73 Cb 0.04 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1onl s ALA 73 CO 0.12 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1onl n GLY 74 N 0.49 -0.56 3.11 0.00 0.00 -0.63 -0.38 105.19 107.21 1onl n GLY 74 Ca 0.08 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.20 1.94 -0.25 1.61 2.12 -0.55 -0.15 118.70 122.21 1onl s GLU 75 Ca 0.00 -0.58 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1onl s GLU 75 Cb 0.00 -1.61 -0.02 0.00 0.26 0.00 0.00 34.13 32.76 1onl s GLU 75 CO 0.00 0.16 1.58 0.42 -0.54 0.00 0.00 175.26 176.88 1onl s ILE 76 N 0.29 3.74 -1.31 -3.70 -1.09 -0.35 -1.07 121.20 117.72 1onl s ILE 76 Ca -0.10 0.82 0.11 0.00 -2.23 0.00 0.00 60.65 59.25 1onl s ILE 76 Cb -0.14 -3.79 0.09 0.00 -1.58 0.00 0.00 42.46 37.05 1onl s ILE 76 CO 0.04 -0.36 0.85 1.33 -1.23 0.00 0.00 174.94 175.57 1onl n VAL 77 N 6.52 0.04 -3.59 2.92 0.24 0.64 0.02 118.33 125.13 1onl n VAL 77 Ca 0.19 -0.52 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 1onl n VAL 77 Cb 0.46 1.20 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.89 0.45 -0.04 7.34 2.12 -1.15 -4.92 118.70 121.61 1onl s GLU 78 Ca 0.13 0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 1onl s GLU 78 Cb 0.09 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.70 1onl s GLU 78 CO 0.13 -0.16 0.10 0.54 -0.54 0.00 0.00 175.26 175.34 1onl s VAL 79 N -1.49 -0.00 -0.51 3.70 0.11 -1.26 0.02 120.40 120.97 1onl s VAL 79 Ca 0.03 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 58.81 1onl s VAL 79 Cb -0.01 -0.15 0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1onl s VAL 79 CO -0.03 0.01 1.37 0.21 -3.33 0.00 0.00 175.10 173.33 1onl s ASN 80 N 0.15 6.27 0.40 3.54 3.84 -0.77 -4.89 114.94 123.48 1onl s ASN 80 Ca -0.01 0.45 0.21 0.00 0.21 0.00 0.00 52.86 53.73 1onl s ASN 80 Cb -0.02 -2.55 0.68 0.00 -0.55 0.00 0.00 41.25 38.82 1onl s ASN 80 CO -0.00 -1.56 1.72 -0.07 -2.79 0.00 0.00 177.10 174.40 1onl h LEU 81 N 12.53 0.00 -2.45 3.21 3.38 -1.94 -3.13 115.31 126.91 1onl h LEU 81 Ca -0.26 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1onl h LEU 81 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1onl h LEU 81 CO 1.15 0.30 0.16 0.00 0.09 0.00 0.00 178.44 180.14 1onl h ALA 82 N 1.70 1.37 0.00 1.53 0.00 -1.95 0.33 119.26 122.23 1onl h ALA 82 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1onl h ALA 82 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1onl h ALA 82 CO 0.04 -0.19 0.00 -0.07 0.00 0.00 0.00 179.25 179.03 1onl h LEU 83 N 0.00 0.00 -0.92 0.00 3.38 -1.76 -0.60 115.31 115.42 1onl h LEU 83 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1onl h LEU 83 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1onl h LEU 83 CO -0.00 0.00 0.07 -0.33 0.09 0.00 0.00 178.44 178.27 1onl h GLU 84 N 0.00 0.87 0.00 1.13 5.08 -1.14 -2.83 114.58 117.70 1onl h GLU 84 Ca 0.00 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1onl h GLU 84 Cb 0.71 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1onl h GLU 84 CO 0.00 0.82 -1.41 1.17 -1.00 0.00 0.00 179.01 178.59 1onl n LYS 85 N -4.24 0.57 -3.04 2.33 0.00 -1.22 -4.72 118.16 107.85 1onl n LYS 85 Ca 0.03 -0.07 -0.24 0.00 0.00 0.00 0.00 58.31 58.03 1onl n LYS 85 Cb 0.27 -1.20 -0.04 0.00 0.00 0.00 0.00 35.03 34.06 1onl n LYS 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1onl n THR 86 N -1.86 2.09 0.30 3.15 -1.04 -0.23 -4.89 114.28 111.79 1onl n THR 86 Ca -0.03 -5.27 0.19 0.00 -2.04 0.00 0.00 64.05 56.90 1onl n THR 86 Cb 0.29 -1.14 0.93 0.00 -1.82 0.00 0.00 70.33 68.60 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 3.06 0.00 0.00 -2.82 0.13 -1.69 -2.20 132.00 128.48 1onl h PRO 87 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1onl h PRO 87 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1onl h PRO 87 CO 0.73 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1onl n GLU 88 N -2.86 0.03 0.24 0.86 0.00 -1.26 -2.33 120.64 115.33 1onl n GLU 88 Ca -0.02 0.27 0.13 0.00 0.00 0.00 0.00 57.16 57.55 1onl n GLU 88 Cb 0.13 -1.50 0.77 0.00 0.00 0.00 0.00 31.44 30.83 1onl n GLU 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1onl h LEU 89 N 0.00 0.00 -1.49 -1.84 3.38 -1.76 0.27 115.31 113.87 1onl h LEU 89 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1onl h LEU 89 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1onl h LEU 89 CO 0.00 0.00 0.07 0.58 0.09 0.00 0.00 178.44 179.18 1onl h VAL 90 N 0.00 1.14 0.03 1.22 2.07 -1.72 0.15 116.25 119.15 1onl h VAL 90 Ca 0.03 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1onl h VAL 90 Cb 0.15 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1onl h VAL 90 CO -0.00 0.17 -0.63 0.78 0.02 0.00 0.00 177.57 177.91 1onl h ASN 91 N 0.41 0.11 0.48 0.57 -0.26 -1.21 -3.15 115.58 112.52 1onl h ASN 91 Ca 0.10 -0.84 -0.07 0.00 -0.56 0.00 0.00 56.30 54.92 1onl h ASN 91 Cb 0.16 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1onl h ASN 91 CO -0.00 1.26 -0.35 1.56 -1.06 0.00 0.00 177.43 178.84 1onl h GLN 92 N -0.83 0.00 -0.20 0.81 4.20 -1.14 -3.39 115.11 114.56 1onl h GLN 92 Ca -0.15 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.32 1onl h GLN 92 Cb 1.27 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.89 1onl h GLN 92 CO -0.03 0.35 -0.53 -3.47 -0.67 0.00 0.00 178.83 174.47 1onl n ASP 93 N -3.89 -2.72 -0.20 1.46 2.03 0.52 -5.02 116.55 108.72 1onl n ASP 93 Ca -0.01 -3.24 0.12 0.00 0.52 0.00 0.00 54.79 52.17 1onl n ASP 93 Cb 0.41 1.66 0.42 0.00 -0.72 0.00 0.00 41.12 42.89 1onl n ASP 93 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1onl h PRO 94 N 4.06 0.58 0.00 -0.67 0.11 -1.62 0.56 132.00 135.01 1onl h PRO 94 Ca -0.12 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1onl h PRO 94 Cb 1.02 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1onl h PRO 94 CO 0.32 0.38 -1.23 0.66 -0.21 0.00 0.00 178.00 177.93 1onl n TYR 95 N -4.51 0.38 0.00 0.65 4.01 -1.26 -4.15 117.16 112.27 1onl n TYR 95 Ca 0.14 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1onl n TYR 95 Cb 0.43 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.53 0.00 2.72 0.00 -0.95 -4.76 105.19 104.03 1onl n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 1.61 -0.58 -1.22 -2.04 120.64 118.41 1onl n GLU 97 Ca 0.00 0.36 0.14 0.00 -0.42 0.00 0.00 57.16 57.25 1onl n GLU 97 Cb 0.00 -1.50 0.64 0.00 -0.57 0.00 0.00 31.44 30.01 1onl n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1onl n GLY 98 N -1.35 -0.81 3.45 0.62 0.00 0.19 -4.85 105.19 102.44 1onl n GLY 98 Ca 0.00 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.80 -0.88 -0.08 1.61 4.27 -0.87 -4.60 117.44 116.10 1onl n TRP 99 Ca 0.16 0.39 -0.16 0.00 -3.89 0.00 0.00 57.50 54.01 1onl n TRP 99 Cb 0.26 -1.92 -0.07 0.00 -1.36 0.00 0.00 31.31 28.23 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 -2.00 0.93 -3.92 -1.67 5.41 0.15 -4.66 119.36 113.60 1onl n ILE 100 Ca 0.11 -0.28 -0.09 0.00 1.00 0.00 0.00 62.75 63.49 1onl n ILE 100 Cb 0.49 -1.49 -0.05 0.00 -0.71 0.00 0.00 39.64 37.88 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 -2.32 0.20 -0.05 1.39 -0.12 -1.12 -1.84 117.98 114.12 1onl s PHE 101 Ca -0.23 -0.57 0.05 0.00 -0.05 0.00 0.00 56.93 56.13 1onl s PHE 101 Cb 0.08 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 1onl s PHE 101 CO 0.33 -0.98 -0.18 0.50 -0.05 0.00 0.00 175.22 174.83 1onl s ARG 102 N -3.97 2.51 0.02 1.99 3.52 0.10 -0.43 118.95 122.69 1onl s ARG 102 Ca 0.18 -0.78 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 1onl s ARG 102 Cb -0.01 -2.29 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 1onl s ARG 102 CO 0.06 0.53 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.72 1onl s LEU 103 N -0.51 2.12 -0.46 -0.88 2.96 -0.58 -0.26 118.68 121.07 1onl s LEU 103 Ca 0.07 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1onl s LEU 103 Cb -0.11 -0.91 0.12 0.00 0.50 0.00 0.00 46.19 45.79 1onl s LEU 103 CO 0.01 0.17 0.29 -0.75 -1.32 0.00 0.00 176.35 174.75 1onl s LYS 104 N -0.87 2.25 0.36 1.98 2.20 -0.23 -1.05 119.74 124.38 1onl s LYS 104 Ca 0.06 -1.88 -0.27 0.00 -0.36 0.00 0.00 55.97 53.52 1onl s LYS 104 Cb -0.08 -3.74 -0.12 0.00 -1.51 0.00 0.00 37.83 32.39 1onl s LYS 104 CO 0.01 -1.13 1.24 -2.30 -0.36 0.00 0.00 175.35 172.81 1onl n PRO 105 N 4.59 1.96 0.13 4.03 -0.02 -1.26 -1.49 135.00 142.94 1onl n PRO 105 Ca -0.03 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 1onl n PRO 105 Cb 0.41 -2.28 0.50 0.00 -0.02 0.00 0.00 33.50 32.10 1onl n PRO 105 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1onl n ARG 106 N 0.40 0.17 -3.15 -0.52 1.74 0.48 -4.42 116.66 111.37 1onl n ARG 106 Ca 0.06 0.47 0.04 0.00 -0.77 0.00 0.00 57.85 57.65 1onl n ARG 106 Cb 0.37 -1.87 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 1onl n ARG 106 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1onl s ASP 107 N -4.11 -1.32 0.60 0.55 2.15 -1.26 -5.02 116.67 108.25 1onl s ASP 107 Ca 0.03 0.61 0.29 0.00 0.43 0.00 0.00 52.55 53.90 1onl s ASP 107 Cb 0.08 2.02 1.50 0.00 -0.30 0.00 0.00 42.92 46.23 1onl s ASP 107 CO 0.33 -0.25 1.90 0.24 -0.17 0.00 0.00 175.17 177.23 1onl h MET 108 N 7.97 0.00 0.00 4.34 2.86 -1.94 0.23 114.93 128.39 1onl h MET 108 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1onl h MET 108 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1onl h MET 108 CO 0.18 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.93 1onl h GLY 109 N 0.00 0.00 2.00 8.32 0.00 -1.97 -2.70 103.07 108.72 1onl h GLY 109 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1onl h GLY 109 CO -0.00 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 175.92 1onl h ASP 110 N 0.00 0.00 0.46 0.19 3.45 -0.97 -2.25 116.42 117.30 1onl h ASP 110 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1onl h ASP 110 Cb 0.28 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1onl h ASP 110 CO 0.00 0.07 -0.03 -0.07 -1.57 0.00 0.00 179.24 177.64 1onl h LEU 111 N 0.00 0.00 0.00 1.55 3.38 -1.68 -1.71 115.31 116.86 1onl h LEU 111 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1onl h LEU 111 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1onl h LEU 111 CO 0.01 0.03 0.00 -0.90 0.09 0.00 0.00 178.44 177.67 1onl n ASP 112 N -3.23 0.00 -0.57 -0.43 3.85 -0.85 -1.23 116.55 114.09 1onl n ASP 112 Ca -0.01 -0.19 0.12 0.00 -0.71 0.00 0.00 54.79 54.00 1onl n ASP 112 Cb 0.20 -0.14 0.18 0.00 -1.35 0.00 0.00 41.12 40.01 1onl n ASP 112 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1onl n GLU 113 N -1.14 1.52 -2.75 0.11 4.07 -0.64 -4.95 120.64 116.85 1onl n GLU 113 Ca 0.09 -1.15 -0.23 0.00 -0.06 0.00 0.00 57.16 55.82 1onl n GLU 113 Cb 0.08 -1.48 0.11 0.00 -0.06 0.00 0.00 31.44 30.09 1onl n GLU 113 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1onl s LEU 114 N -2.28 2.95 0.06 4.31 1.43 -0.37 -5.12 118.68 119.67 1onl s LEU 114 Ca 0.25 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1onl s LEU 114 Cb 0.19 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1onl s LEU 114 CO 0.45 -1.82 0.11 -0.76 0.23 0.00 0.00 176.35 174.56 1onl s LEU 115 N -5.04 3.95 0.76 1.79 1.43 -0.78 -4.92 118.68 115.87 1onl s LEU 115 Ca 0.67 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1onl s LEU 115 Cb -0.04 -2.56 0.15 0.00 0.03 0.00 0.00 46.19 43.77 1onl s LEU 115 CO 0.44 0.19 1.04 1.51 0.23 0.00 0.00 176.35 179.75 1onl s ASP 116 N -2.31 4.13 0.23 2.29 1.47 -1.26 -0.18 116.67 121.03 1onl s ASP 116 Ca 0.30 -0.47 -0.07 0.00 1.18 0.00 0.00 52.55 53.49 1onl s ASP 116 Cb -0.12 0.21 0.37 0.00 -0.34 0.00 0.00 42.92 43.04 1onl s ASP 116 CO 0.22 -2.03 1.73 0.00 0.68 0.00 0.00 175.17 175.78 1onl h ALA 117 N -0.65 0.93 -0.18 2.11 0.00 -1.83 -1.68 119.26 117.95 1onl h ALA 117 Ca -0.35 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1onl h ALA 117 Cb 1.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1onl h ALA 117 CO 0.37 -0.20 0.12 0.78 0.00 0.00 0.00 179.25 180.31 1onl h GLY 118 N 0.42 0.25 0.31 0.00 0.00 -1.93 -2.31 103.07 99.81 1onl h GLY 118 Ca 0.37 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.64 1onl h GLY 118 CO -0.37 0.09 -0.30 -1.33 0.00 0.00 0.00 176.54 174.64 1onl h GLY 119 N 0.24 -0.45 0.25 4.60 0.00 -1.69 -1.38 103.07 104.64 1onl h GLY 119 Ca 0.07 0.36 0.12 0.00 0.00 0.00 0.00 47.33 47.87 1onl h GLY 119 CO -0.01 -0.22 0.27 -1.82 0.00 0.00 0.00 176.54 174.75 1onl h TYR 120 N -0.42 0.46 -0.86 5.60 3.20 -1.26 0.17 116.97 123.85 1onl h TYR 120 Ca 0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1onl h TYR 120 Cb 0.53 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1onl h TYR 120 CO -0.34 0.08 0.56 0.37 -1.64 0.00 0.00 178.16 177.19 1onl h GLN 121 N 0.43 1.07 -0.36 1.82 4.15 -0.82 -1.26 115.11 120.14 1onl h GLN 121 Ca 0.37 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 1onl h GLN 121 Cb 0.51 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1onl h GLN 121 CO -0.36 0.71 -0.06 0.93 -1.93 0.00 0.00 178.83 178.11 1onl h GLU 122 N 1.10 0.61 -0.45 1.69 5.08 0.30 -2.06 114.58 120.84 1onl h GLU 122 Ca 0.34 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1onl h GLU 122 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1onl h GLU 122 CO -0.11 0.67 0.12 0.28 -1.00 0.00 0.00 179.01 178.97 1onl h VAL 123 N 0.57 1.23 -0.57 3.13 2.07 0.17 -1.52 116.25 121.33 1onl h VAL 123 Ca 0.11 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1onl h VAL 123 Cb 0.46 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1onl h VAL 123 CO 0.02 0.29 0.10 -0.07 0.02 0.00 0.00 177.57 177.93 1onl h LEU 124 N 0.60 0.85 -0.83 2.57 3.38 -1.02 -2.86 115.31 118.00 1onl h LEU 124 Ca 0.14 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1onl h LEU 124 Cb 0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1onl h LEU 124 CO 0.00 0.85 -0.48 -0.33 0.09 0.00 0.00 178.44 178.57 1onl h GLU 125 N 0.85 0.00 0.00 1.13 5.08 -1.21 -2.83 114.58 117.60 1onl h GLU 125 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1onl h GLU 125 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1onl h GLU 125 CO 0.01 0.48 0.00 0.66 -1.00 0.00 0.00 179.01 179.15 1onl h SER 126 N 0.00 0.00 -1.58 1.42 4.64 -1.05 -3.41 113.55 113.58 1onl h SER 126 Ca -0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1onl h SER 126 Cb 1.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 1onl h SER 126 CO 0.06 0.00 1.15 -0.70 -0.87 0.00 0.00 176.83 176.47 1onl s GLU 127 N -3.48 2.89 0.00 4.77 2.12 -1.07 -5.11 118.70 118.81 1onl s GLU 127 Ca 0.03 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1onl s GLU 127 Cb 0.08 -4.69 0.00 0.00 0.26 0.00 0.00 34.13 29.79 1onl s GLU 127 CO 0.56 -2.70 0.00 0.00 -0.54 0.00 0.00 175.26 172.58