#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh8 s MET 1 N 0.00 3.95 0.47 -1.40 1.00 -1.26 -4.90 119.30 117.16 1sh8 s MET 1 Ca 0.00 -0.34 0.31 0.00 0.00 0.00 0.00 55.69 55.66 1sh8 s MET 1 Cb 0.00 -3.37 1.22 0.00 0.00 0.00 0.00 34.83 32.68 1sh8 s MET 1 CO 0.00 0.10 1.90 -1.00 0.00 0.00 0.00 175.02 176.02 1sh8 h PRO 2 N 7.33 0.00 -3.41 2.03 0.13 -1.87 -3.44 132.00 132.78 1sh8 h PRO 2 Ca -0.37 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.61 1sh8 h PRO 2 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 1sh8 h PRO 2 CO 0.66 0.00 -0.47 -0.51 -0.23 0.00 0.00 178.00 177.45 1sh8 s LEU 3 N -5.75 1.42 0.61 1.56 1.43 -1.26 -4.91 118.68 111.77 1sh8 s LEU 3 Ca 0.02 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.93 1sh8 s LEU 3 Cb 0.09 0.73 -0.03 0.00 0.03 0.00 0.00 46.19 47.01 1sh8 s LEU 3 CO 0.52 -0.31 1.08 -2.16 0.23 0.00 0.00 176.35 175.71 1sh8 s PRO 4 N -1.03 3.15 0.14 1.29 0.04 -1.26 -4.84 135.00 132.49 1sh8 s PRO 4 Ca -0.11 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 1sh8 s PRO 4 Cb -0.06 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1sh8 s PRO 4 CO 0.02 -0.96 1.70 1.15 0.04 0.00 0.00 177.00 178.95 1sh8 h THR 5 N 0.40 0.76 -0.84 1.26 2.02 -1.99 -1.61 112.91 112.91 1sh8 h THR 5 Ca -0.47 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1sh8 h THR 5 Cb 1.23 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1sh8 h THR 5 CO 0.56 0.01 0.39 -0.33 0.37 0.00 0.00 175.52 176.52 1sh8 h GLU 6 N 0.06 1.21 -0.50 6.66 4.39 -1.98 -0.20 114.58 124.22 1sh8 h GLU 6 Ca 0.14 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1sh8 h GLU 6 Cb 0.19 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1sh8 h GLU 6 CO -0.26 0.94 -0.05 1.25 -1.16 0.00 0.00 179.01 179.74 1sh8 h LEU 7 N 1.20 0.91 -0.75 1.33 5.85 -1.92 0.05 115.31 121.96 1sh8 h LEU 7 Ca 0.29 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1sh8 h LEU 7 Cb 0.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1sh8 h LEU 7 CO -0.03 1.02 0.39 0.00 -0.34 0.00 0.00 178.44 179.48 1sh8 h ALA 8 N 0.92 0.97 -0.42 1.25 0.00 -0.86 -0.31 119.26 120.80 1sh8 h ALA 8 Ca 0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1sh8 h ALA 8 Cb 0.59 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sh8 h ALA 8 CO 0.04 0.51 0.03 -0.09 0.00 0.00 0.00 179.25 179.74 1sh8 h ARG 9 N 1.05 0.73 -0.26 0.00 1.12 -0.82 -0.67 114.38 115.53 1sh8 h ARG 9 Ca 0.26 -0.22 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1sh8 h ARG 9 Cb 0.08 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 1sh8 h ARG 9 CO -0.04 0.79 0.17 1.25 -3.11 0.00 0.00 179.97 179.03 1sh8 h HIS 10 N 0.57 0.33 -0.56 2.20 2.76 -0.57 -1.05 115.15 118.82 1sh8 h HIS 10 Ca 0.12 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1sh8 h HIS 10 Cb 0.44 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1sh8 h HIS 10 CO 0.03 0.21 0.22 -0.07 -1.30 0.00 0.00 177.93 177.03 1sh8 h LEU 11 N 0.34 0.78 -0.37 0.26 3.38 -0.95 0.23 115.31 118.99 1sh8 h LEU 11 Ca 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sh8 h LEU 11 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1sh8 h LEU 11 CO -0.02 0.74 0.24 0.74 0.09 0.00 0.00 178.44 180.23 1sh8 h THR 12 N 0.77 1.10 0.00 0.22 2.02 -0.85 -0.92 112.91 115.25 1sh8 h THR 12 Ca 0.19 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 66.98 1sh8 h THR 12 Cb 0.21 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1sh8 h THR 12 CO -0.01 0.10 -1.01 -0.33 0.37 0.00 0.00 175.52 174.64 1sh8 h GLU 13 N 0.49 0.00 0.00 6.66 5.08 -1.08 -3.42 114.58 122.31 1sh8 h GLU 13 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1sh8 h GLU 13 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1sh8 h GLU 13 CO -0.03 0.68 0.00 0.39 -1.00 0.00 0.00 179.01 179.06 1sh8 n GLU 14 N -3.21 4.27 -0.25 2.33 1.02 0.81 -3.24 120.64 122.37 1sh8 n GLU 14 Ca -0.03 -0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 56.95 1sh8 n GLU 14 Cb 0.88 -0.59 0.15 0.00 -0.02 0.00 0.00 31.44 31.86 1sh8 n GLU 14 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1sh8 h LYS 15 N 0.00 1.08 -4.71 3.49 3.64 -1.27 -3.38 116.57 115.42 1sh8 h LYS 15 Ca 0.00 -0.15 -0.68 0.00 -1.27 0.00 0.00 60.65 58.55 1sh8 h LYS 15 Cb 0.01 -0.20 -0.23 0.00 -0.41 0.00 0.00 32.23 31.41 1sh8 h LYS 15 CO 0.00 0.83 -0.53 0.42 -2.27 0.00 0.00 179.45 177.89 1sh8 s ILE 16 N -5.61 4.68 0.27 2.00 1.01 -1.26 -4.99 121.20 117.30 1sh8 s ILE 16 Ca -0.11 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1sh8 s ILE 16 Cb 0.16 -3.46 0.27 0.00 0.01 0.00 0.00 42.46 39.45 1sh8 s ILE 16 CO 0.81 -0.03 1.81 0.00 0.00 0.00 0.00 174.94 177.54 1sh8 h ALA 17 N 8.40 1.44 -0.85 9.38 0.00 -1.93 -0.11 119.26 135.58 1sh8 h ALA 17 Ca -0.30 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.73 1sh8 h ALA 17 Cb 1.13 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1sh8 h ALA 17 CO 0.63 0.13 0.50 0.35 0.00 0.00 0.00 179.25 180.87 1sh8 h PHE 18 N 0.89 0.92 -0.14 0.00 3.57 -1.95 0.49 116.94 120.72 1sh8 h PHE 18 Ca 0.48 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.90 1sh8 h PHE 18 Cb 0.53 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1sh8 h PHE 18 CO -0.02 0.40 -0.34 0.28 -2.23 0.00 0.00 178.31 176.39 1sh8 h VAL 19 N 0.86 1.37 -0.67 1.41 2.07 -1.50 -3.18 116.25 116.60 1sh8 h VAL 19 Ca 0.40 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 66.36 1sh8 h VAL 19 Cb 0.31 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 1sh8 h VAL 19 CO -0.23 0.49 0.36 -0.61 0.02 0.00 0.00 177.57 177.60 1sh8 h GLN 20 N 0.08 0.64 0.00 1.57 -0.00 -0.41 -1.54 115.11 115.44 1sh8 h GLN 20 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 1sh8 h GLN 20 Cb 0.95 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 28.29 1sh8 h GLN 20 CO 0.07 0.42 -0.04 0.00 0.00 0.00 0.00 178.83 179.28 1sh8 h ARG 21 N 0.66 0.00 0.00 1.69 3.08 -0.93 -2.01 114.38 116.87 1sh8 h ARG 21 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1sh8 h ARG 21 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1sh8 h ARG 21 CO -0.21 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.40 1sh8 h SER 22 N 0.00 0.00 0.00 7.04 4.64 -1.26 -3.47 113.55 120.49 1sh8 h SER 22 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sh8 h SER 22 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1sh8 h SER 22 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1sh8 n GLY 23 N 1.23 0.53 3.68 -0.77 0.00 -0.75 -4.63 105.19 104.48 1sh8 n GLY 23 Ca 0.05 -0.26 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1sh8 n GLY 23 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sh8 n LEU 24 N 0.00 3.31 -4.24 0.99 0.00 -1.25 -4.50 117.00 111.30 1sh8 n LEU 24 Ca 0.00 1.16 -0.27 0.00 0.00 0.00 0.00 56.01 56.90 1sh8 n LEU 24 Cb 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 43.42 41.82 1sh8 n LEU 24 CO 0.00 -0.44 -0.53 -0.13 0.00 0.00 0.00 177.39 176.30 1sh8 s ARG 25 N -0.75 1.56 -0.21 1.96 1.81 -0.08 -4.80 118.95 118.46 1sh8 s ARG 25 Ca 0.65 -0.85 -0.15 0.00 -1.72 0.00 0.00 55.73 53.66 1sh8 s ARG 25 Cb -0.62 -1.59 -0.04 0.00 -0.45 0.00 0.00 34.95 32.25 1sh8 s ARG 25 CO 0.52 0.42 0.38 0.00 -0.68 0.00 0.00 175.30 175.95 1sh8 s ALA 26 N -0.64 3.56 -0.14 2.13 0.00 -1.26 -0.16 121.76 125.24 1sh8 s ALA 26 Ca 0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 1sh8 s ALA 26 Cb -0.08 -2.61 -0.24 0.00 0.00 0.00 0.00 23.12 20.18 1sh8 s ALA 26 CO 0.00 -0.30 0.30 0.39 0.00 0.00 0.00 175.76 176.15 1sh8 n GLU 27 N 4.48 0.72 -3.85 0.00 1.02 0.93 -4.93 120.64 119.01 1sh8 n GLU 27 Ca -0.09 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.22 1sh8 n GLU 27 Cb 0.51 -1.70 -0.15 0.00 -0.02 0.00 0.00 31.44 30.08 1sh8 n GLU 27 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sh8 s VAL 28 N -2.52 0.02 -0.22 2.62 1.01 -0.96 -4.97 120.40 115.37 1sh8 s VAL 28 Ca -0.24 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1sh8 s VAL 28 Cb 0.07 -0.09 0.08 0.00 0.00 0.00 0.00 36.38 36.43 1sh8 s VAL 28 CO 0.73 0.06 0.11 -0.76 0.00 0.00 0.00 175.10 175.24 1sh8 s LEU 29 N 0.58 0.45 0.10 3.92 1.43 -1.26 -0.88 118.68 123.02 1sh8 s LEU 29 Ca -0.05 -0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 52.10 1sh8 s LEU 29 Cb -0.07 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1sh8 s LEU 29 CO -0.02 -0.39 0.10 -1.61 0.23 0.00 0.00 176.35 174.67 1sh8 s GLU 30 N 2.12 0.84 0.11 1.70 2.02 -0.08 -4.92 118.70 120.49 1sh8 s GLU 30 Ca 0.05 -1.19 -0.34 0.00 0.02 0.00 0.00 54.97 53.51 1sh8 s GLU 30 Cb -0.16 0.28 -0.13 0.00 0.10 0.00 0.00 34.13 34.22 1sh8 s GLU 30 CO -0.21 -0.24 1.66 -2.30 0.02 0.00 0.00 175.26 174.19 1sh8 n PRO 31 N -0.04 2.20 -0.84 0.39 -0.02 -1.22 -1.37 135.00 134.09 1sh8 n PRO 31 Ca -0.11 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1sh8 n PRO 31 Cb 0.62 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1sh8 n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sh8 n GLY 32 N 3.68 0.93 3.37 -1.23 0.00 -1.26 -4.98 105.19 105.70 1sh8 n GLY 32 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1sh8 n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sh8 s TYR 33 N -3.38 -0.74 0.03 1.61 5.04 -0.47 -0.92 117.35 118.51 1sh8 s TYR 33 Ca 0.00 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1sh8 s TYR 33 Cb 0.00 0.37 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 1sh8 s TYR 33 CO 0.00 -0.40 -0.04 0.14 -1.34 0.00 0.00 175.55 173.91 1sh8 s VAL 34 N 1.52 0.17 -0.05 3.14 -7.23 -0.63 -0.90 120.40 116.42 1sh8 s VAL 34 Ca -0.09 -1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1sh8 s VAL 34 Cb -0.08 -0.43 0.03 0.00 0.56 0.00 0.00 36.38 36.47 1sh8 s VAL 34 CO -0.15 -0.54 0.08 -0.60 -0.31 0.00 0.00 175.10 173.58 1sh8 s ARG 35 N -1.73 -0.04 0.26 4.82 3.52 -0.06 -1.41 118.95 124.31 1sh8 s ARG 35 Ca -0.13 0.39 0.12 0.00 -0.13 0.00 0.00 55.73 55.97 1sh8 s ARG 35 Cb -0.08 -0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 32.86 1sh8 s ARG 35 CO -0.02 -0.29 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.49 1sh8 s LEU 36 N 1.97 2.63 -0.04 -0.88 1.43 -0.10 -0.05 118.68 123.65 1sh8 s LEU 36 Ca 0.02 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1sh8 s LEU 36 Cb -0.12 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1sh8 s LEU 36 CO -0.04 0.05 -0.05 -0.60 0.23 0.00 0.00 176.35 175.95 1sh8 s ARG 37 N -3.33 0.75 -0.24 1.70 3.52 0.77 -1.72 118.95 120.40 1sh8 s ARG 37 Ca 0.28 -0.12 -0.05 0.00 -0.13 0.00 0.00 55.73 55.71 1sh8 s ARG 37 Cb -0.06 -0.76 -0.01 0.00 -1.56 0.00 0.00 34.95 32.56 1sh8 s ARG 37 CO 0.14 -0.04 0.01 1.41 -0.81 0.00 0.00 175.30 176.01 1sh8 s MET 38 N 0.73 3.41 0.43 5.12 -2.45 0.11 -0.90 119.30 125.75 1sh8 s MET 38 Ca -0.10 -0.62 -0.25 0.00 -1.25 0.00 0.00 55.69 53.48 1sh8 s MET 38 Cb -0.13 -3.16 -0.08 0.00 1.25 0.00 0.00 34.83 32.71 1sh8 s MET 38 CO 0.00 -0.23 1.28 -1.25 1.05 0.00 0.00 175.02 175.87 1sh8 s PRO 39 N 1.52 3.87 0.16 4.11 0.04 -1.26 -1.61 135.00 141.82 1sh8 s PRO 39 Ca 0.05 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 1sh8 s PRO 39 Cb -0.15 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.74 1sh8 s PRO 39 CO -0.00 -0.56 1.42 0.78 0.04 0.00 0.00 177.00 178.68 1sh8 h GLY 40 N 2.48 0.66 -5.02 0.56 0.00 -1.91 -3.40 103.07 96.44 1sh8 h GLY 40 Ca -0.50 -0.86 -0.53 0.00 0.00 0.00 0.00 47.33 45.44 1sh8 h GLY 40 CO 0.62 0.77 1.04 0.00 0.00 0.00 0.00 176.54 178.96 1sh8 s ALA 41 N -3.82 3.68 0.00 3.60 0.00 -1.26 -2.09 121.76 121.87 1sh8 s ALA 41 Ca -0.08 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1sh8 s ALA 41 Cb 0.10 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1sh8 s ALA 41 CO 0.86 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1sh8 n GLY 42 N 4.08 1.86 0.56 0.00 0.00 -1.26 -4.86 105.19 105.56 1sh8 n GLY 42 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1sh8 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sh8 n ASN 43 N 0.00 3.26 -4.80 1.61 5.03 -0.89 -5.04 115.26 114.43 1sh8 n ASN 43 Ca 0.00 -3.01 -0.34 0.00 0.87 0.00 0.00 54.58 52.10 1sh8 n ASN 43 Cb 0.00 -0.49 -0.05 0.00 -1.02 0.00 0.00 39.78 38.23 1sh8 n ASN 43 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1sh8 s GLU 44 N -2.78 4.03 0.00 3.52 8.01 -1.23 -0.60 118.70 129.65 1sh8 s GLU 44 Ca 0.37 1.32 0.00 0.00 0.01 0.00 0.00 54.97 56.68 1sh8 s GLU 44 Cb 0.31 -2.24 0.00 0.00 -4.31 0.00 0.00 34.13 27.89 1sh8 s GLU 44 CO 0.07 -0.23 0.00 0.27 0.01 0.00 0.00 175.26 175.38 1sh8 n ASN 45 N -0.63 0.00 0.03 -0.19 0.23 0.93 -4.54 115.26 111.09 1sh8 n ASN 45 Ca 0.07 -0.28 0.13 0.00 -0.53 0.00 0.00 54.58 53.97 1sh8 n ASN 45 Cb 0.52 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.62 1sh8 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sh8 n HIS 46 N -0.43 0.27 -1.56 -2.53 1.44 -1.26 -4.19 115.22 106.97 1sh8 n HIS 46 Ca 0.00 0.08 -0.09 0.00 -2.01 0.00 0.00 57.72 55.70 1sh8 n HIS 46 Cb 0.00 -0.54 0.16 0.00 0.12 0.00 0.00 29.99 29.73 1sh8 n HIS 46 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1sh8 n ILE 47 N -1.75 2.61 -0.93 0.61 -5.35 -1.26 -4.98 119.36 108.30 1sh8 n ILE 47 Ca 0.06 -3.07 0.00 0.00 -0.27 0.00 0.00 62.75 59.47 1sh8 n ILE 47 Cb 0.37 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 1sh8 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sh8 n GLY 48 N -1.04 0.50 3.32 3.28 0.00 -1.26 -5.05 105.19 104.94 1sh8 n GLY 48 Ca 0.36 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1sh8 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sh8 s SER 49 N -2.26 1.10 0.26 1.61 1.04 -1.26 -4.85 113.70 109.33 1sh8 s SER 49 Ca 0.00 -1.59 -0.30 0.00 0.48 0.00 0.00 55.95 54.54 1sh8 s SER 49 Cb 0.00 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.55 1sh8 s SER 49 CO 0.00 -1.06 1.46 -0.32 0.98 0.00 0.00 173.24 174.30 1sh8 s MET 50 N -3.56 4.25 0.35 4.02 -2.45 0.42 -0.05 119.30 122.27 1sh8 s MET 50 Ca 0.38 2.34 -0.28 0.00 -1.25 0.00 0.00 55.69 56.87 1sh8 s MET 50 Cb 0.03 -3.10 -0.11 0.00 1.25 0.00 0.00 34.83 32.91 1sh8 s MET 50 CO 0.22 -0.45 1.37 -0.47 1.05 0.00 0.00 175.02 176.74 1sh8 s TYR 51 N -0.01 2.88 0.35 4.11 5.04 0.23 -4.63 117.35 125.32 1sh8 s TYR 51 Ca 0.60 1.32 0.12 0.00 -2.44 0.00 0.00 57.07 56.67 1sh8 s TYR 51 Cb -0.43 -3.81 0.93 0.00 0.35 0.00 0.00 41.96 39.00 1sh8 s TYR 51 CO 0.44 -2.28 1.78 0.00 -1.34 0.00 0.00 175.55 174.15 1sh8 h ALA 52 N 3.24 1.95 -0.18 3.97 0.00 -1.92 -0.37 119.26 125.95 1sh8 h ALA 52 Ca -0.50 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1sh8 h ALA 52 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1sh8 h ALA 52 CO 0.65 -0.33 -0.14 0.78 0.00 0.00 0.00 179.25 180.20 1sh8 h GLY 53 N 0.57 0.32 1.11 0.00 0.00 -1.96 0.06 103.07 103.16 1sh8 h GLY 53 Ca 0.57 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.50 1sh8 h GLY 53 CO -0.33 0.19 -0.64 0.00 0.00 0.00 0.00 176.54 175.76 1sh8 h ALA 54 N 1.58 0.35 -0.62 3.60 0.00 -1.42 -1.72 119.26 121.03 1sh8 h ALA 54 Ca 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1sh8 h ALA 54 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1sh8 h ALA 54 CO 0.03 0.62 0.31 -0.07 0.00 0.00 0.00 179.25 180.14 1sh8 h LEU 55 N 0.52 0.81 -0.37 0.00 3.38 -1.01 -1.46 115.31 117.17 1sh8 h LEU 55 Ca -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1sh8 h LEU 55 Cb 1.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1sh8 h LEU 55 CO 0.14 0.70 0.22 0.15 0.09 0.00 0.00 178.44 179.74 1sh8 h PHE 56 N 0.85 0.50 -0.65 1.13 3.57 -0.92 -1.13 116.94 120.29 1sh8 h PHE 56 Ca 0.22 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.72 1sh8 h PHE 56 Cb 0.10 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1sh8 h PHE 56 CO -0.00 0.37 0.43 1.15 -2.23 0.00 0.00 178.31 178.03 1sh8 h THR 57 N 0.49 1.16 -0.60 4.41 2.02 -1.04 0.16 112.91 119.50 1sh8 h THR 57 Ca 0.13 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1sh8 h THR 57 Cb 0.02 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1sh8 h THR 57 CO -0.02 0.16 0.27 0.25 0.37 0.00 0.00 175.52 176.54 1sh8 h LEU 58 N 0.88 0.81 -0.72 2.58 5.85 -0.99 -1.68 115.31 122.04 1sh8 h LEU 58 Ca 0.24 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1sh8 h LEU 58 Cb -0.09 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1sh8 h LEU 58 CO -0.06 0.73 -0.64 0.00 -0.34 0.00 0.00 178.44 178.14 1sh8 h ALA 59 N 1.11 0.94 0.21 1.25 0.00 -0.76 -3.33 119.26 118.67 1sh8 h ALA 59 Ca 0.20 -0.58 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 1sh8 h ALA 59 Cb 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sh8 h ALA 59 CO -0.02 0.79 -1.56 1.49 0.00 0.00 0.00 179.25 179.94 1sh8 h GLU 60 N 0.01 0.43 -0.27 0.00 4.22 -0.54 -3.38 114.58 115.07 1sh8 h GLU 60 Ca -0.01 -0.74 0.08 0.00 0.08 0.00 0.00 59.36 58.77 1sh8 h GLU 60 Cb 1.13 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1sh8 h GLU 60 CO 0.08 1.34 0.20 1.25 -2.18 0.00 0.00 179.01 179.70 1sh8 h LEU 61 N 0.12 0.00 -2.02 1.64 5.85 -1.42 -2.58 115.31 116.90 1sh8 h LEU 61 Ca -0.28 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.58 1sh8 h LEU 61 Cb 2.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.12 1sh8 h LEU 61 CO 0.22 0.00 0.41 -0.65 -0.34 0.00 0.00 178.44 178.08 1sh8 h PRO 62 N 0.00 0.00 -0.56 5.25 0.11 -1.74 0.93 132.00 135.99 1sh8 h PRO 62 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1sh8 h PRO 62 Cb 0.52 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1sh8 h PRO 62 CO -0.00 0.00 0.25 0.78 -0.21 0.00 0.00 178.00 178.81 1sh8 h GLY 63 N 0.00 0.88 1.51 -0.55 0.00 -1.75 -0.07 103.07 103.08 1sh8 h GLY 63 Ca 0.23 -0.46 -0.25 0.00 0.00 0.00 0.00 47.33 46.85 1sh8 h GLY 63 CO -0.00 0.43 -1.04 -1.33 0.00 0.00 0.00 176.54 174.60 1sh8 h GLY 64 N 0.76 0.48 0.94 4.60 0.00 -1.15 -2.92 103.07 105.77 1sh8 h GLY 64 Ca 0.19 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 1sh8 h GLY 64 CO -0.02 0.81 0.11 0.00 0.00 0.00 0.00 176.54 177.44 1sh8 h ALA 65 N 0.64 0.53 -0.52 3.60 0.00 -0.76 -1.03 119.26 121.71 1sh8 h ALA 65 Ca -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1sh8 h ALA 65 Cb 1.70 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1sh8 h ALA 65 CO 0.18 0.18 0.19 -0.07 0.00 0.00 0.00 179.25 179.74 1sh8 h LEU 66 N 0.50 0.69 -0.33 0.00 3.38 -1.10 -1.48 115.31 116.98 1sh8 h LEU 66 Ca 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sh8 h LEU 66 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1sh8 h LEU 66 CO -0.00 0.64 0.19 0.15 0.09 0.00 0.00 178.44 179.51 1sh8 h PHE 67 N 0.75 0.45 -0.33 1.13 3.57 -1.25 0.17 116.94 121.42 1sh8 h PHE 67 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1sh8 h PHE 67 Cb 0.17 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1sh8 h PHE 67 CO 0.01 0.35 0.03 -0.07 -2.23 0.00 0.00 178.31 176.39 1sh8 h LEU 68 N 0.42 0.47 0.00 0.59 3.38 -0.60 -1.48 115.31 118.09 1sh8 h LEU 68 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sh8 h LEU 68 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sh8 h LEU 68 CO -0.02 0.52 -0.95 0.35 0.09 0.00 0.00 178.44 178.42 1sh8 n THR 69 N -4.31 0.25 -0.00 0.22 -2.24 -0.61 -4.50 114.28 103.09 1sh8 n THR 69 Ca 0.02 -0.28 0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1sh8 n THR 69 Cb 0.22 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1sh8 n THR 69 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sh8 n SER 70 N -2.07 3.80 -4.50 3.42 7.64 0.58 -3.45 113.62 119.04 1sh8 n SER 70 Ca 0.02 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.66 1sh8 n SER 70 Cb 0.45 1.17 -0.11 0.00 -1.01 0.00 0.00 64.21 64.72 1sh8 n SER 70 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sh8 s PHE 71 N -2.34 2.18 -0.51 1.43 0.08 -0.57 -4.89 117.98 113.36 1sh8 s PHE 71 Ca -0.02 -0.71 -0.27 0.00 0.12 0.00 0.00 56.93 56.04 1sh8 s PHE 71 Cb 0.03 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1sh8 s PHE 71 CO 0.22 0.32 1.79 0.34 -0.10 0.00 0.00 175.22 177.78 1sh8 s ASP 72 N -3.55 5.57 0.00 1.36 -1.08 -1.26 -4.77 116.67 112.95 1sh8 s ASP 72 Ca 0.33 0.65 0.05 0.00 -0.52 0.00 0.00 52.55 53.07 1sh8 s ASP 72 Cb 0.06 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 1sh8 s ASP 72 CO 0.15 -2.08 1.13 -1.54 0.52 0.00 0.00 175.17 173.35 1sh8 n SER 73 N 11.58 0.00 -0.05 -0.34 3.41 -1.26 -2.14 113.62 124.82 1sh8 n SER 73 Ca 0.20 -1.69 -0.07 0.00 -0.26 0.00 0.00 58.87 57.06 1sh8 n SER 73 Cb 0.50 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 1sh8 n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sh8 n ALA 74 N -0.59 1.76 0.01 7.33 0.00 -1.26 -4.60 120.51 123.16 1sh8 n ALA 74 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 1sh8 n ALA 74 Cb 0.02 0.18 0.04 0.00 0.00 0.00 0.00 19.45 19.69 1sh8 n ALA 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1sh8 h ARG 75 N 0.00 0.53 -5.58 0.00 2.43 -1.94 -3.46 114.38 106.36 1sh8 h ARG 75 Ca -0.26 -0.36 -0.58 0.00 -0.81 0.00 0.00 59.98 57.97 1sh8 h ARG 75 Cb 1.45 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 30.92 1sh8 h ARG 75 CO -0.02 0.98 -0.62 -0.06 -1.51 0.00 0.00 179.97 178.73 1sh8 s PHE 76 N -3.90 2.32 -0.02 2.20 0.08 -0.91 -2.86 117.98 114.89 1sh8 s PHE 76 Ca -0.07 -0.72 -0.13 0.00 0.12 0.00 0.00 56.93 56.13 1sh8 s PHE 76 Cb 0.11 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1sh8 s PHE 76 CO 0.84 0.35 0.27 1.52 -0.10 0.00 0.00 175.22 178.10 1sh8 s TYR 77 N -2.87 -0.16 0.16 0.36 -0.85 0.26 -4.60 117.35 109.66 1sh8 s TYR 77 Ca 0.35 0.26 0.03 0.00 -0.52 0.00 0.00 57.07 57.19 1sh8 s TYR 77 Cb 0.08 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1sh8 s TYR 77 CO 0.17 -0.34 0.25 -1.25 -1.52 0.00 0.00 175.55 172.86 1sh8 s PRO 78 N -1.13 3.30 -0.01 -3.49 0.04 -1.26 -0.77 135.00 131.68 1sh8 s PRO 78 Ca -0.12 -0.68 -0.05 0.00 0.04 0.00 0.00 61.00 60.19 1sh8 s PRO 78 Cb -0.05 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1sh8 s PRO 78 CO 0.03 0.50 0.10 0.96 0.04 0.00 0.00 177.00 178.63 1sh8 s ILE 79 N -1.77 0.06 -0.13 0.56 -4.36 -0.68 -4.98 121.20 109.90 1sh8 s ILE 79 Ca 0.34 -0.50 -0.14 0.00 -0.26 0.00 0.00 60.65 60.08 1sh8 s ILE 79 Cb -0.11 -0.31 -0.05 0.00 1.25 0.00 0.00 42.46 43.25 1sh8 s ILE 79 CO 0.27 -0.28 0.32 0.54 0.24 0.00 0.00 174.94 176.04 1sh8 s VAL 80 N -0.92 5.27 -0.21 8.37 0.11 -1.26 -0.95 120.40 130.81 1sh8 s VAL 80 Ca -0.10 0.62 -0.14 0.00 -2.93 0.00 0.00 61.98 59.43 1sh8 s VAL 80 Cb -0.06 -3.65 -0.19 0.00 -1.53 0.00 0.00 36.38 30.95 1sh8 s VAL 80 CO 0.01 0.42 0.06 0.29 -3.33 0.00 0.00 175.10 172.55 1sh8 n LYS 81 N 3.27 0.62 -3.54 1.54 4.76 0.80 -4.96 118.16 120.64 1sh8 n LYS 81 Ca -0.12 0.38 -0.14 0.00 -2.87 0.00 0.00 58.31 55.56 1sh8 n LYS 81 Cb 0.52 -1.65 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 1sh8 n LYS 81 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1sh8 s GLU 82 N -2.46 1.08 -0.24 1.97 -1.05 -1.18 -5.01 118.70 111.81 1sh8 s GLU 82 Ca -0.30 -0.20 -0.22 0.00 -0.15 0.00 0.00 54.97 54.10 1sh8 s GLU 82 Cb 0.09 0.50 0.06 0.00 -0.44 0.00 0.00 34.13 34.34 1sh8 s GLU 82 CO 0.61 -0.40 0.64 1.41 0.95 0.00 0.00 175.26 178.47 1sh8 s MET 83 N -2.47 0.75 -0.09 -4.83 1.75 -1.26 -0.91 119.30 112.23 1sh8 s MET 83 Ca -0.05 0.88 0.03 0.00 -1.25 0.00 0.00 55.69 55.30 1sh8 s MET 83 Cb -0.01 0.36 -0.01 0.00 2.84 0.00 0.00 34.83 38.02 1sh8 s MET 83 CO -0.02 -0.09 -0.18 0.99 -0.65 0.00 0.00 175.02 175.07 1sh8 s THR 84 N 0.32 2.61 -0.16 10.11 2.01 0.14 -4.99 115.64 125.68 1sh8 s THR 84 Ca -0.00 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1sh8 s THR 84 Cb -0.04 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.46 1sh8 s THR 84 CO 0.01 0.55 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.14 1sh8 s LEU 85 N 0.03 1.78 -0.20 4.42 2.96 -1.26 -1.29 118.68 125.12 1sh8 s LEU 85 Ca -0.07 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 1sh8 s LEU 85 Cb -0.15 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 1sh8 s LEU 85 CO 0.05 -0.07 0.03 -0.13 -1.32 0.00 0.00 176.35 174.91 1sh8 s ARG 86 N 1.47 3.74 -0.23 1.98 0.52 0.82 -4.97 118.95 122.29 1sh8 s ARG 86 Ca 0.04 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 54.61 1sh8 s ARG 86 Cb -0.13 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1sh8 s ARG 86 CO -0.10 0.06 0.52 -0.06 0.02 0.00 0.00 175.30 175.74 1sh8 s PHE 87 N 0.91 3.32 -0.25 -0.53 0.08 -1.26 -0.97 117.98 119.28 1sh8 s PHE 87 Ca 0.02 0.71 -0.02 0.00 0.12 0.00 0.00 56.93 57.76 1sh8 s PHE 87 Cb -0.14 -2.69 -0.17 0.00 -0.57 0.00 0.00 43.02 39.44 1sh8 s PHE 87 CO 0.02 -0.19 -0.18 0.54 -0.10 0.00 0.00 175.22 175.31 1sh8 n ARG 88 N 5.15 0.65 -3.46 0.44 5.12 0.06 -4.97 116.66 119.65 1sh8 n ARG 88 Ca -0.04 0.19 -0.14 0.00 -1.93 0.00 0.00 57.85 55.93 1sh8 n ARG 88 Cb 0.50 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.23 1sh8 n ARG 88 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1sh8 s ARG 89 N -2.52 1.18 0.08 5.56 1.70 -0.97 -5.02 118.95 118.98 1sh8 s ARG 89 Ca -0.34 -0.19 -0.36 0.00 -0.47 0.00 0.00 55.73 54.37 1sh8 s ARG 89 Cb 0.10 0.55 -0.16 0.00 -0.57 0.00 0.00 34.95 34.87 1sh8 s ARG 89 CO 0.60 -0.47 1.41 -2.30 -1.08 0.00 0.00 175.30 173.46 1sh8 n PRO 90 N 0.11 1.36 -3.08 3.89 -0.02 -1.26 -4.73 135.00 131.26 1sh8 n PRO 90 Ca -0.18 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 1sh8 n PRO 90 Cb 0.62 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1sh8 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh8 s ALA 91 N 0.73 3.33 -0.06 3.55 0.00 -1.26 -4.97 121.76 123.08 1sh8 s ALA 91 Ca 0.84 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1sh8 s ALA 91 Cb -0.90 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 18.75 1sh8 s ALA 91 CO 0.46 -2.09 -0.00 0.15 0.00 0.00 0.00 175.76 174.28 1sh8 s LYS 92 N 2.93 2.90 1.90 0.00 1.02 -1.26 -0.44 119.74 126.79 1sh8 s LYS 92 Ca 0.19 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1sh8 s LYS 92 Cb -0.18 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1sh8 s LYS 92 CO 0.14 0.68 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 1sh8 n GLY 93 N 1.91 -1.40 3.76 -3.33 0.00 -1.26 -4.62 105.19 100.24 1sh8 n GLY 93 Ca -0.17 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1sh8 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sh8 s ASP 94 N -4.00 7.40 0.01 1.61 1.01 -1.26 -3.50 116.67 117.93 1sh8 s ASP 94 Ca 0.00 2.11 0.08 0.00 0.71 0.00 0.00 52.55 55.45 1sh8 s ASP 94 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1sh8 s ASP 94 CO 0.00 -0.04 -0.23 -0.63 0.21 0.00 0.00 175.17 174.48 1sh8 s ILE 95 N -1.22 2.34 0.27 0.77 -1.09 -0.64 -3.57 121.20 118.07 1sh8 s ILE 95 Ca 0.44 -1.18 0.05 0.00 -2.23 0.00 0.00 60.65 57.73 1sh8 s ILE 95 Cb -0.28 -1.90 -0.06 0.00 -1.58 0.00 0.00 42.46 38.64 1sh8 s ILE 95 CO 0.36 0.46 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.38 1sh8 s ARG 96 N -1.01 1.48 -0.06 2.79 0.52 -0.38 0.07 118.95 122.35 1sh8 s ARG 96 Ca 0.12 -1.76 -0.19 0.00 -0.52 0.00 0.00 55.73 53.38 1sh8 s ARG 96 Cb -0.10 -0.89 0.04 0.00 0.52 0.00 0.00 34.95 34.52 1sh8 s ARG 96 CO 0.01 -0.05 0.44 0.54 0.02 0.00 0.00 175.30 176.26 1sh8 s VAL 97 N -3.23 0.03 0.06 3.52 0.11 -0.70 -1.31 120.40 118.89 1sh8 s VAL 97 Ca 0.30 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.15 1sh8 s VAL 97 Cb 0.05 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1sh8 s VAL 97 CO 0.11 -0.13 -0.10 -1.83 -3.33 0.00 0.00 175.10 169.82 1sh8 s GLU 98 N -0.90 0.68 0.01 1.54 -1.05 -1.26 -0.93 118.70 116.80 1sh8 s GLU 98 Ca -0.10 -0.90 -0.14 0.00 -0.15 0.00 0.00 54.97 53.69 1sh8 s GLU 98 Cb -0.03 -0.51 0.02 0.00 -0.44 0.00 0.00 34.13 33.16 1sh8 s GLU 98 CO 0.05 0.10 0.29 0.00 0.95 0.00 0.00 175.26 176.64 1sh8 s ALA 99 N -1.56 -0.69 0.08 -0.84 0.00 -0.50 -4.76 121.76 113.50 1sh8 s ALA 99 Ca -0.04 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 1sh8 s ALA 99 Cb -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1sh8 s ALA 99 CO 0.01 -0.31 0.09 -0.98 0.00 0.00 0.00 175.76 174.57 1sh8 s ARG 100 N -1.78 0.76 -0.04 0.00 1.70 -1.26 -1.61 118.95 116.72 1sh8 s ARG 100 Ca -0.11 -1.11 -0.01 0.00 -0.47 0.00 0.00 55.73 54.04 1sh8 s ARG 100 Cb -0.04 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1sh8 s ARG 100 CO 0.01 -0.20 0.03 -0.51 -1.08 0.00 0.00 175.30 173.55 1sh8 s LEU 101 N -2.90 0.60 0.70 -1.89 1.43 -0.10 -4.97 118.68 111.55 1sh8 s LEU 101 Ca 0.07 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 1sh8 s LEU 101 Cb 0.06 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.09 1sh8 s LEU 101 CO -0.09 -0.19 1.09 1.51 0.23 0.00 0.00 176.35 178.89 1sh8 s ASP 102 N 1.72 5.00 0.26 2.29 -4.77 -1.26 -4.34 116.67 115.56 1sh8 s ASP 102 Ca -0.00 1.83 -0.02 0.00 -3.30 0.00 0.00 52.55 51.06 1sh8 s ASP 102 Cb -0.13 -2.53 0.52 0.00 -1.09 0.00 0.00 42.92 39.69 1sh8 s ASP 102 CO -0.03 -1.70 1.75 0.00 0.70 0.00 0.00 175.17 175.89 1sh8 h ALA 103 N -0.54 1.21 -0.55 2.11 0.00 -1.96 -1.55 119.26 117.99 1sh8 h ALA 103 Ca -0.45 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1sh8 h ALA 103 Cb 1.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1sh8 h ALA 103 CO 0.54 -0.15 0.17 1.49 0.00 0.00 0.00 179.25 181.30 1sh8 h GLU 104 N 0.55 0.85 -0.58 0.00 4.81 -2.00 -2.21 114.58 116.01 1sh8 h GLU 104 Ca 0.45 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1sh8 h GLU 104 Cb 0.66 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1sh8 h GLU 104 CO -0.38 0.78 0.12 0.00 -0.73 0.00 0.00 179.01 178.80 1sh8 h ARG 105 N 0.76 0.91 -0.48 1.92 2.47 -1.70 -0.99 114.38 117.27 1sh8 h ARG 105 Ca 0.18 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1sh8 h ARG 105 Cb 0.29 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1sh8 h ARG 105 CO -0.00 0.83 0.29 0.82 0.56 0.00 0.00 179.97 182.47 1sh8 h ILE 106 N 0.87 1.15 -0.45 2.04 2.04 -1.07 0.23 117.51 122.32 1sh8 h ILE 106 Ca 0.18 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1sh8 h ILE 106 Cb 0.34 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1sh8 h ILE 106 CO 0.00 0.15 0.21 0.03 0.00 0.00 0.00 178.15 178.54 1sh8 h ARG 107 N 0.64 0.65 -0.37 2.37 3.08 -0.98 -1.72 114.38 118.05 1sh8 h ARG 107 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1sh8 h ARG 107 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1sh8 h ARG 107 CO -0.03 0.56 0.24 1.96 -1.07 0.00 0.00 179.97 181.63 1sh8 h GLN 108 N 0.58 0.49 -0.21 0.04 4.20 -0.83 -1.83 115.11 117.56 1sh8 h GLN 108 Ca 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1sh8 h GLN 108 Cb 0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1sh8 h GLN 108 CO -0.02 0.33 0.11 -0.07 -0.67 0.00 0.00 178.83 178.52 1sh8 h LEU 109 N 0.50 0.26 -0.94 1.46 3.38 -0.78 -0.93 115.31 118.25 1sh8 h LEU 109 Ca 0.13 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1sh8 h LEU 109 Cb -0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1sh8 h LEU 109 CO -0.03 0.27 -0.13 1.05 0.09 0.00 0.00 178.44 179.69 1sh8 h GLU 110 N 0.23 0.63 0.20 1.13 4.11 -1.25 0.81 114.58 120.45 1sh8 h GLU 110 Ca 0.07 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1sh8 h GLU 110 Cb 0.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1sh8 h GLU 110 CO -0.01 0.74 -0.10 1.15 0.07 0.00 0.00 179.01 180.86 1sh8 h THR 111 N 0.57 0.88 -0.74 -1.06 2.02 -1.16 0.75 112.91 114.17 1sh8 h THR 111 Ca 0.10 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1sh8 h THR 111 Cb 0.56 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1sh8 h THR 111 CO 0.04 0.10 0.26 -0.08 0.37 0.00 0.00 175.52 176.21 1sh8 h GLU 112 N -0.50 1.12 -0.30 6.66 4.81 -1.05 0.85 114.58 126.17 1sh8 h GLU 112 Ca -0.03 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 1sh8 h GLU 112 Cb 0.38 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1sh8 h GLU 112 CO 0.05 0.94 -0.26 0.00 -0.73 0.00 0.00 179.01 179.01 1sh8 h ALA 113 N 1.13 1.00 -0.25 2.92 0.00 -0.81 0.28 119.26 123.52 1sh8 h ALA 113 Ca 0.24 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1sh8 h ALA 113 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sh8 h ALA 113 CO -0.01 0.59 -0.35 0.78 0.00 0.00 0.00 179.25 180.26 1sh8 h GLY 114 N 1.01 0.74 1.56 0.00 0.00 -0.41 0.11 103.07 106.08 1sh8 h GLY 114 Ca 0.07 -0.81 -0.28 0.00 0.00 0.00 0.00 47.33 46.31 1sh8 h GLY 114 CO 0.05 0.73 -1.30 0.83 0.00 0.00 0.00 176.54 176.86 1sh8 h GLU 115 N 0.40 0.26 -0.00 4.80 5.08 -0.74 -3.38 114.58 121.00 1sh8 h GLU 115 Ca 0.03 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1sh8 h GLU 115 Cb 0.93 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1sh8 h GLU 115 CO 0.08 1.19 -0.38 0.54 -1.00 0.00 0.00 179.01 179.44 1sh8 n ARG 116 N -3.51 2.66 0.00 2.33 1.74 0.97 -5.00 116.66 115.84 1sh8 n ARG 116 Ca -0.10 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 1sh8 n ARG 116 Cb 1.03 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 1sh8 n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sh8 n GLY 117 N 1.11 2.78 3.47 -0.13 0.00 0.38 -4.99 105.19 107.81 1sh8 n GLY 117 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1sh8 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sh8 s LYS 118 N -0.67 1.14 -0.19 1.61 -2.85 -1.23 -1.32 119.74 116.24 1sh8 s LYS 118 Ca 0.00 -0.08 -0.17 0.00 -1.00 0.00 0.00 55.97 54.73 1sh8 s LYS 118 Cb 0.00 0.53 0.05 0.00 -2.06 0.00 0.00 37.83 36.35 1sh8 s LYS 118 CO 0.00 -0.42 0.50 0.00 0.10 0.00 0.00 175.35 175.53 1sh8 s ALA 119 N -2.32 -1.25 0.00 0.59 0.00 -0.36 -4.06 121.76 114.36 1sh8 s ALA 119 Ca -0.06 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 1sh8 s ALA 119 Cb -0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1sh8 s ALA 119 CO -0.00 -0.25 0.20 -1.21 0.00 0.00 0.00 175.76 174.50 1sh8 s GLU 120 N 0.44 3.46 -0.02 0.00 2.02 -1.26 0.44 118.70 123.78 1sh8 s GLU 120 Ca -0.01 -0.29 -0.03 0.00 0.02 0.00 0.00 54.97 54.65 1sh8 s GLU 120 Cb -0.04 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1sh8 s GLU 120 CO -0.02 0.66 0.08 1.52 0.02 0.00 0.00 175.26 177.52 1sh8 s TYR 121 N -1.35 -0.02 0.23 1.61 -0.85 -0.45 -4.97 117.35 111.56 1sh8 s TYR 121 Ca 0.28 0.06 0.11 0.00 -0.52 0.00 0.00 57.07 57.00 1sh8 s TYR 121 Cb -0.13 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 1sh8 s TYR 121 CO 0.19 -0.10 -0.15 -1.54 -1.52 0.00 0.00 175.55 172.43 1sh8 s SER 122 N -0.40 3.89 -0.02 -0.18 1.04 -1.26 -0.55 113.70 116.22 1sh8 s SER 122 Ca -0.05 -0.81 0.01 0.00 0.48 0.00 0.00 55.95 55.58 1sh8 s SER 122 Cb -0.03 -0.49 0.01 0.00 0.10 0.00 0.00 66.02 65.61 1sh8 s SER 122 CO 0.00 0.07 -0.03 -0.76 0.98 0.00 0.00 173.24 173.50 1sh8 s LEU 123 N -3.18 1.59 -0.30 2.42 1.43 -0.54 -4.99 118.68 115.12 1sh8 s LEU 123 Ca 0.27 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1sh8 s LEU 123 Cb -0.07 -0.27 0.09 0.00 0.03 0.00 0.00 46.19 45.96 1sh8 s LEU 123 CO 0.15 -0.02 0.01 -1.61 0.23 0.00 0.00 176.35 175.11 1sh8 s GLU 124 N 0.47 1.52 0.30 1.70 2.02 -1.26 -0.82 118.70 122.63 1sh8 s GLU 124 Ca -0.05 -1.50 0.10 0.00 0.02 0.00 0.00 54.97 53.55 1sh8 s GLU 124 Cb -0.08 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.25 1sh8 s GLU 124 CO -0.01 -0.82 -0.08 -0.51 0.02 0.00 0.00 175.26 173.86 1sh8 s LEU 125 N 1.14 2.86 -0.06 1.80 1.43 -0.26 -4.96 118.68 120.63 1sh8 s LEU 125 Ca 0.04 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1sh8 s LEU 125 Cb -0.19 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1sh8 s LEU 125 CO -0.10 -0.07 -0.23 -1.10 0.23 0.00 0.00 176.35 175.08 1sh8 s GLN 126 N -3.62 2.36 -0.16 1.70 -0.21 -1.26 -0.92 119.66 117.54 1sh8 s GLN 126 Ca 0.32 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.81 1sh8 s GLN 126 Cb -0.03 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1sh8 s GLN 126 CO 0.18 0.33 0.07 -0.51 -2.12 0.00 0.00 175.29 173.24 1sh8 s LEU 127 N -0.08 3.92 0.13 2.90 1.02 -0.02 -4.46 118.68 122.09 1sh8 s LEU 127 Ca -0.04 0.16 0.08 0.00 0.02 0.00 0.00 54.13 54.35 1sh8 s LEU 127 Cb -0.13 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.06 1sh8 s LEU 127 CO 0.04 0.23 -0.19 0.42 0.02 0.00 0.00 176.35 176.87 1sh8 s THR 128 N 0.02 1.69 0.50 5.49 -4.23 -0.42 -0.92 115.64 117.77 1sh8 s THR 128 Ca 0.06 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1sh8 s THR 128 Cb -0.12 -1.66 0.10 0.00 1.34 0.00 0.00 72.50 72.16 1sh8 s THR 128 CO 0.01 -0.22 0.68 -0.90 -0.54 0.00 0.00 174.62 173.65 1sh8 n ASP 129 N 0.68 0.96 0.22 3.99 5.68 -0.46 -1.25 116.55 126.38 1sh8 n ASP 129 Ca -0.16 -1.80 0.14 0.00 -0.50 0.00 0.00 54.79 52.47 1sh8 n ASP 129 Cb 0.55 -0.44 0.75 0.00 -1.14 0.00 0.00 41.12 40.85 1sh8 n ASP 129 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sh8 h GLU 130 N 0.00 0.00 -0.31 0.11 5.08 -1.82 0.87 114.58 118.52 1sh8 h GLU 130 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1sh8 h GLU 130 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1sh8 h GLU 130 CO 0.25 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 1sh8 n GLN 131 N -2.50 2.42 -0.97 2.33 1.13 -1.26 -4.95 117.38 113.58 1sh8 n GLN 131 Ca -0.02 -2.19 0.00 0.00 -1.94 0.00 0.00 57.00 52.85 1sh8 n GLN 131 Cb 0.11 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1sh8 n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sh8 n GLY 132 N 1.42 0.63 3.75 1.08 0.00 0.30 -5.02 105.19 107.35 1sh8 n GLY 132 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1sh8 n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sh8 s GLU 133 N -0.03 4.60 -0.45 1.61 0.41 -1.26 -4.74 118.70 118.83 1sh8 s GLU 133 Ca 0.00 1.81 -0.28 0.00 -0.41 0.00 0.00 54.97 56.08 1sh8 s GLU 133 Cb 0.00 -3.22 0.03 0.00 -1.78 0.00 0.00 34.13 29.16 1sh8 s GLU 133 CO 0.00 0.12 1.10 0.08 -0.49 0.00 0.00 175.26 176.07 1sh8 s VAL 134 N -0.75 4.28 -0.16 2.63 1.01 -1.26 -1.35 120.40 124.81 1sh8 s VAL 134 Ca 0.47 1.24 0.20 0.00 0.00 0.00 0.00 61.98 63.89 1sh8 s VAL 134 Cb -0.32 -4.56 -0.12 0.00 0.00 0.00 0.00 36.38 31.39 1sh8 s VAL 134 CO 0.39 -0.91 0.82 1.33 0.00 0.00 0.00 175.10 176.73 1sh8 n VAL 135 N 6.65 0.82 -3.47 2.92 0.24 -0.10 -4.46 118.33 120.92 1sh8 n VAL 135 Ca 0.11 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 1sh8 n VAL 135 Cb 0.49 -0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 32.35 1sh8 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sh8 s ALA 136 N -3.15 -1.70 -0.02 2.33 0.00 -1.22 -0.76 121.76 117.24 1sh8 s ALA 136 Ca -0.03 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1sh8 s ALA 136 Cb 0.10 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.65 1sh8 s ALA 136 CO 0.82 -0.59 -0.03 -1.21 0.00 0.00 0.00 175.76 174.75 1sh8 s GLU 137 N -2.62 0.37 0.21 0.00 2.02 -0.14 -0.83 118.70 117.71 1sh8 s GLU 137 Ca -0.03 -0.07 0.09 0.00 0.02 0.00 0.00 54.97 54.98 1sh8 s GLU 137 Cb -0.01 -0.42 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 1sh8 s GLU 137 CO -0.04 -0.00 -0.17 -1.54 0.02 0.00 0.00 175.26 173.53 1sh8 s SER 138 N 0.36 2.89 -0.03 -0.19 1.04 -0.10 -0.13 113.70 117.55 1sh8 s SER 138 Ca -0.04 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.40 1sh8 s SER 138 Cb -0.07 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.89 1sh8 s SER 138 CO -0.01 -0.08 0.04 0.00 0.98 0.00 0.00 173.24 174.18 1sh8 s ALA 139 N -2.60 0.21 0.02 5.32 0.00 -0.41 -1.10 121.76 123.19 1sh8 s ALA 139 Ca 0.23 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 1sh8 s ALA 139 Cb -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1sh8 s ALA 139 CO 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 175.76 175.47 1sh8 s ALA 140 N 1.76 0.14 -0.17 0.00 0.00 -0.00 -0.68 121.76 122.80 1sh8 s ALA 140 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1sh8 s ALA 140 Cb -0.12 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1sh8 s ALA 140 CO -0.03 -0.17 -0.13 -1.17 0.00 0.00 0.00 175.76 174.26 1sh8 s LEU 141 N -1.52 2.59 0.30 0.00 2.96 -0.09 -1.47 118.68 121.44 1sh8 s LEU 141 Ca -0.15 -0.44 0.11 0.00 -0.22 0.00 0.00 54.13 53.43 1sh8 s LEU 141 Cb -0.09 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1sh8 s LEU 141 CO -0.01 0.07 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.66 1sh8 s TYR 142 N 0.93 2.42 -0.05 5.38 2.02 0.29 -0.14 117.35 128.20 1sh8 s TYR 142 Ca -0.03 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1sh8 s TYR 142 Cb -0.15 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1sh8 s TYR 142 CO -0.01 0.65 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.36 1sh8 s GLN 143 N -3.59 1.43 -0.27 -0.62 0.74 -0.12 -1.34 119.66 115.90 1sh8 s GLN 143 Ca 0.31 -0.41 -0.12 0.00 0.05 0.00 0.00 55.36 55.20 1sh8 s GLN 143 Cb -0.03 -1.24 -0.05 0.00 1.10 0.00 0.00 33.01 32.79 1sh8 s GLN 143 CO 0.17 0.10 0.25 -1.17 -0.55 0.00 0.00 175.29 174.09 1sh8 s LEU 144 N 0.38 4.04 0.08 3.68 2.96 0.17 -1.69 118.68 128.30 1sh8 s LEU 144 Ca -0.08 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 1sh8 s LEU 144 Cb -0.12 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1sh8 s LEU 144 CO 0.02 -0.08 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.62 1sh8 s ARG 145 N 1.75 1.32 0.28 1.98 0.52 0.05 -1.22 118.95 123.63 1sh8 s ARG 145 Ca 0.10 -1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 54.15 1sh8 s ARG 145 Cb -0.16 -1.54 -0.06 0.00 0.52 0.00 0.00 34.95 33.71 1sh8 s ARG 145 CO 0.10 0.38 0.58 -1.54 0.02 0.00 0.00 175.30 174.84 1sh8 s SER 146 N -1.56 6.54 0.20 0.23 1.04 -0.44 -0.58 113.70 119.13 1sh8 s SER 146 Ca 0.08 0.87 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 1sh8 s SER 146 Cb -0.09 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.74 1sh8 s SER 146 CO 0.03 -0.17 1.16 -1.00 0.98 0.00 0.00 173.24 174.24 1sh8 s HIS 147 N -2.01 3.48 0.54 5.02 0.09 -1.13 -4.92 115.29 116.37 1sh8 s HIS 147 Ca 0.46 1.51 -0.14 0.00 -0.00 0.00 0.00 55.06 56.90 1sh8 s HIS 147 Cb -0.11 -3.37 -0.06 0.00 -0.00 0.00 0.00 32.58 29.04 1sh8 s HIS 147 CO 0.26 -0.96 0.98 0.00 -0.00 0.00 0.00 174.74 175.03 1sh8 s ALA 148 N -0.30 3.11 0.05 -1.40 0.00 -1.26 -5.01 121.76 116.96 1sh8 s ALA 148 Ca 0.50 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 1sh8 s ALA 148 Cb -0.32 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1sh8 s ALA 148 CO 0.37 -0.39 1.19 0.50 0.00 0.00 0.00 175.76 177.43 1sh8 s ARG 149 N -4.47 4.44 0.21 0.00 3.52 -1.26 -4.95 118.95 116.44 1sh8 s ARG 149 Ca 0.57 1.75 -0.32 0.00 -0.13 0.00 0.00 55.73 57.59 1sh8 s ARG 149 Cb -0.10 -3.36 -0.13 0.00 -1.56 0.00 0.00 34.95 29.79 1sh8 s ARG 149 CO 0.40 -0.25 1.49 -2.30 -0.81 0.00 0.00 175.30 173.83 1sh8 n PRO 150 N 3.96 2.14 -0.20 5.12 -0.02 -1.26 -1.83 135.00 142.91 1sh8 n PRO 150 Ca 0.09 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1sh8 n PRO 150 Cb 0.47 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1sh8 n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sh8 n GLY 151 N 2.64 1.31 0.33 -1.23 0.00 -1.26 -5.34 105.19 101.64 1sh8 n GLY 151 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.30 1sh8 n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18