#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j52 s VAL 1 N 0.00 0.62 0.29 3.17 1.01 -1.26 -5.04 120.40 119.19 1j52 s VAL 1 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 1j52 s VAL 1 Cb 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.67 1j52 s VAL 1 CO 0.00 0.24 0.66 -0.76 0.00 0.00 0.00 175.10 175.25 1j52 s LEU 2 N 0.88 4.09 0.52 3.92 1.02 -1.26 -5.08 118.68 122.76 1j52 s LEU 2 Ca -0.12 1.12 -0.08 0.00 0.02 0.00 0.00 54.13 55.08 1j52 s LEU 2 Cb -0.15 -3.92 -0.04 0.00 0.02 0.00 0.00 46.19 42.10 1j52 s LEU 2 CO 0.01 -0.17 0.87 -0.94 0.02 0.00 0.00 176.35 176.14 1j52 s SER 3 N -2.38 6.30 0.37 2.29 1.04 -1.26 -4.92 113.70 115.14 1j52 s SER 3 Ca 0.51 1.14 0.07 0.00 0.48 0.00 0.00 55.95 58.15 1j52 s SER 3 Cb -0.11 -2.34 0.78 0.00 0.10 0.00 0.00 66.02 64.45 1j52 s SER 3 CO 0.20 -0.65 1.95 -0.08 0.98 0.00 0.00 173.24 175.64 1j52 h GLU 4 N 0.20 0.69 -0.74 4.02 4.57 -1.99 -0.25 114.58 121.08 1j52 h GLU 4 Ca -0.46 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1j52 h GLU 4 Cb 1.20 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 1j52 h GLU 4 CO 0.62 0.46 0.46 0.78 -1.18 0.00 0.00 179.01 180.15 1j52 h GLY 5 N 0.71 1.06 1.00 1.92 0.00 -1.99 -0.16 103.07 105.60 1j52 h GLY 5 Ca 0.33 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 1j52 h GLY 5 CO -0.11 0.41 -0.41 0.83 0.00 0.00 0.00 176.54 177.26 1j52 h GLU 6 N 1.01 0.70 -0.65 4.80 5.08 -1.45 -2.71 114.58 121.37 1j52 h GLU 6 Ca 0.27 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1j52 h GLU 6 Cb -0.07 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1j52 h GLU 6 CO -0.05 1.06 0.33 -1.49 -1.00 0.00 0.00 179.01 177.86 1j52 h TRP 7 N 0.43 0.90 -0.71 4.33 4.06 -0.92 -1.84 115.95 122.19 1j52 h TRP 7 Ca 0.02 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1j52 h TRP 7 Cb 1.01 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.85 1j52 h TRP 7 CO 0.08 0.64 0.41 1.96 -3.56 0.00 0.00 178.44 177.97 1j52 h GLN 8 N 0.92 0.98 -0.69 0.49 7.50 -0.92 0.15 115.11 123.54 1j52 h GLN 8 Ca 0.23 -0.11 -0.07 0.00 0.50 0.00 0.00 58.65 59.21 1j52 h GLN 8 Cb 0.06 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.36 1j52 h GLN 8 CO -0.03 0.72 0.16 -0.07 -1.50 0.00 0.00 178.83 178.11 1j52 h LEU 9 N 0.98 1.05 0.01 1.46 3.38 -1.08 -0.32 115.31 120.79 1j52 h LEU 9 Ca 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1j52 h LEU 9 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1j52 h LEU 9 CO -0.04 1.00 -0.01 0.58 0.09 0.00 0.00 178.44 180.06 1j52 h VAL 10 N 1.05 1.26 0.00 1.22 2.07 -0.82 -2.91 116.25 118.11 1j52 h VAL 10 Ca 0.22 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1j52 h VAL 10 Cb 0.37 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1j52 h VAL 10 CO 0.00 0.21 -0.25 -0.07 0.02 0.00 0.00 177.57 177.48 1j52 h LEU 11 N -0.37 0.00 -0.22 2.57 3.38 -0.66 -1.34 115.31 118.67 1j52 h LEU 11 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1j52 h LEU 11 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1j52 h LEU 11 CO 0.00 0.25 -0.26 -0.74 0.09 0.00 0.00 178.44 177.78 1j52 h HIS 12 N 0.00 0.69 -0.01 1.13 2.76 -1.02 -1.55 115.15 117.15 1j52 h HIS 12 Ca -0.00 -0.22 -0.18 0.00 -2.20 0.00 0.00 60.37 57.77 1j52 h HIS 12 Cb 0.67 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 1j52 h HIS 12 CO 0.00 0.93 -0.79 -0.24 -1.30 0.00 0.00 177.93 176.53 1j52 h VAL 13 N 0.26 1.49 -0.17 5.26 3.04 -1.33 -3.07 116.25 121.74 1j52 h VAL 13 Ca 0.03 -2.50 -0.04 0.00 -1.01 0.00 0.00 66.70 63.18 1j52 h VAL 13 Cb 0.83 2.36 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 1j52 h VAL 13 CO 0.06 0.73 -0.07 -0.25 -1.01 0.00 0.00 177.57 177.03 1j52 h TRP 14 N 0.08 0.26 -0.33 3.17 2.91 -1.16 -1.56 115.95 119.33 1j52 h TRP 14 Ca -0.03 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.95 1j52 h TRP 14 Cb 1.38 -0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.94 1j52 h TRP 14 CO 0.02 0.34 0.12 0.00 -1.03 0.00 0.00 178.44 177.89 1j52 h ALA 15 N 1.68 1.60 -0.09 2.65 0.00 -1.17 -0.61 119.26 123.30 1j52 h ALA 15 Ca 0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 1j52 h ALA 15 Cb 0.30 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1j52 h ALA 15 CO 0.01 0.32 -0.85 0.87 0.00 0.00 0.00 179.25 179.60 1j52 h LYS 16 N 0.47 0.70 -0.87 0.00 1.79 -1.37 -3.15 116.57 114.14 1j52 h LYS 16 Ca 0.12 -0.62 0.03 0.00 -2.18 0.00 0.00 60.65 57.99 1j52 h LYS 16 Cb 0.11 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 1j52 h LYS 16 CO -0.01 1.23 0.56 0.28 -1.08 0.00 0.00 179.45 180.43 1j52 h VAL 17 N 0.45 1.15 0.00 0.50 2.07 -0.80 -2.28 116.25 117.35 1j52 h VAL 17 Ca -0.07 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1j52 h VAL 17 Cb 1.48 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1j52 h VAL 17 CO 0.17 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.34 1j52 n GLU 18 N -4.53 0.07 0.27 1.57 1.02 -0.32 -1.65 120.64 117.06 1j52 n GLU 18 Ca 0.11 0.44 0.16 0.00 -0.02 0.00 0.00 57.16 57.85 1j52 n GLU 18 Cb 0.08 -1.67 0.60 0.00 -0.02 0.00 0.00 31.44 30.43 1j52 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j52 h ALA 19 N 2.20 1.00 -1.01 0.62 0.00 -1.45 -3.36 119.26 117.26 1j52 h ALA 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1j52 h ALA 19 Cb 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.68 1j52 h ALA 19 CO 0.00 0.00 -0.76 -3.47 0.00 0.00 0.00 179.25 175.02 1j52 n ASP 20 N -3.09 -1.59 -0.19 0.00 4.64 -0.66 -5.02 116.55 110.64 1j52 n ASP 20 Ca 0.01 -2.98 -0.07 0.00 -1.38 0.00 0.00 54.79 50.38 1j52 n ASP 20 Cb 0.34 0.71 0.03 0.00 -1.04 0.00 0.00 41.12 41.16 1j52 n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1j52 h VAL 21 N 2.86 1.17 -0.65 5.18 2.07 -1.70 -2.09 116.25 123.09 1j52 h VAL 21 Ca -0.02 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1j52 h VAL 21 Cb 0.97 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1j52 h VAL 21 CO 0.36 0.17 0.22 0.00 0.02 0.00 0.00 177.57 178.34 1j52 h ALA 22 N 1.16 0.85 -0.48 1.67 0.00 -1.90 -0.42 119.26 120.14 1j52 h ALA 22 Ca 0.20 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1j52 h ALA 22 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1j52 h ALA 22 CO -0.04 0.51 -0.18 0.78 0.00 0.00 0.00 179.25 180.32 1j52 h GLY 23 N 0.94 1.03 1.35 0.00 0.00 -1.91 -2.12 103.07 102.36 1j52 h GLY 23 Ca 0.21 -0.88 -0.17 0.00 0.00 0.00 0.00 47.33 46.49 1j52 h GLY 23 CO -0.01 0.80 -0.56 0.45 0.00 0.00 0.00 176.54 177.22 1j52 h HIS 24 N 0.83 0.85 -0.76 5.60 3.86 -1.21 -2.35 115.15 121.97 1j52 h HIS 24 Ca 0.12 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1j52 h HIS 24 Cb 0.74 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 1j52 h HIS 24 CO 0.05 1.08 0.39 0.78 0.86 0.00 0.00 177.93 181.08 1j52 h GLY 25 N 0.92 1.16 0.77 2.45 0.00 -0.99 -1.62 103.07 105.77 1j52 h GLY 25 Ca 0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1j52 h GLY 25 CO 0.11 0.53 -0.04 -1.61 0.00 0.00 0.00 176.54 175.54 1j52 h GLN 26 N 1.07 -0.11 -0.66 4.80 4.15 -1.35 -2.34 115.11 120.67 1j52 h GLN 26 Ca 0.26 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.78 1j52 h GLN 26 Cb 0.09 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 1j52 h GLN 26 CO -0.04 0.14 0.30 -0.44 -1.93 0.00 0.00 178.83 176.86 1j52 h ASP 27 N -0.35 0.36 -0.05 -0.69 3.32 -1.23 -1.66 116.42 116.13 1j52 h ASP 27 Ca -0.01 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1j52 h ASP 27 Cb 0.30 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1j52 h ASP 27 CO 0.02 0.21 0.01 0.40 -1.72 0.00 0.00 179.24 178.16 1j52 h ILE 28 N 0.52 1.18 -0.61 0.35 2.04 -1.27 -1.46 117.51 118.27 1j52 h ILE 28 Ca 0.32 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 1j52 h ILE 28 Cb 0.36 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1j52 h ILE 28 CO -0.28 0.15 0.09 -0.07 0.00 0.00 0.00 178.15 178.04 1j52 h LEU 29 N -0.14 0.96 -0.39 1.44 3.38 -1.26 -0.50 115.31 118.80 1j52 h LEU 29 Ca 0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1j52 h LEU 29 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1j52 h LEU 29 CO 0.00 0.96 -0.07 0.40 0.09 0.00 0.00 178.44 179.82 1j52 h ILE 30 N 0.94 1.27 -0.53 1.22 2.04 -1.32 -0.77 117.51 120.36 1j52 h ILE 30 Ca 0.19 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1j52 h ILE 30 Cb 0.43 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1j52 h ILE 30 CO 0.01 0.38 0.35 -0.09 0.00 0.00 0.00 178.15 178.80 1j52 h ARG 31 N 0.55 0.68 -0.22 2.37 9.65 -1.02 0.55 114.38 126.94 1j52 h ARG 31 Ca 0.10 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1j52 h ARG 31 Cb 0.59 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1j52 h ARG 31 CO 0.03 0.45 0.14 1.25 2.80 0.00 0.00 179.97 184.65 1j52 h LEU 32 N 0.70 0.26 -1.23 3.80 5.85 -0.85 -0.38 115.31 123.46 1j52 h LEU 32 Ca 0.20 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1j52 h LEU 32 Cb -0.06 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1j52 h LEU 32 CO -0.05 0.20 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.64 1j52 h PHE 33 N 0.28 0.00 0.16 1.25 0.04 -0.71 0.34 116.94 118.31 1j52 h PHE 33 Ca 0.08 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.62 1j52 h PHE 33 Cb -0.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.16 1j52 h PHE 33 CO -0.06 0.35 -1.06 0.87 -0.60 0.00 0.00 178.31 177.82 1j52 h LYS 34 N 0.00 0.34 -0.28 1.51 1.57 -0.67 -3.08 116.57 115.96 1j52 h LYS 34 Ca -0.00 -0.58 -0.14 0.00 -1.87 0.00 0.00 60.65 58.06 1j52 h LYS 34 Cb 0.71 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1j52 h LYS 34 CO 0.05 1.28 -0.38 0.77 -0.57 0.00 0.00 179.45 180.60 1j52 h SER 35 N -0.25 0.69 -2.47 0.86 0.02 -0.98 -3.38 113.55 108.03 1j52 h SER 35 Ca -0.19 -0.30 -0.59 0.00 -0.84 0.00 0.00 61.79 59.87 1j52 h SER 35 Cb 1.78 -0.19 -0.38 0.00 0.14 0.00 0.00 62.40 63.74 1j52 h SER 35 CO 0.16 1.00 -0.92 -1.00 -1.14 0.00 0.00 176.83 174.93 1j52 s HIS 36 N -4.31 1.07 0.54 3.45 3.76 0.10 -5.00 115.29 114.90 1j52 s HIS 36 Ca -0.08 -2.16 0.30 0.00 -0.15 0.00 0.00 55.06 52.97 1j52 s HIS 36 Cb 0.12 -0.98 1.46 0.00 1.11 0.00 0.00 32.58 34.29 1j52 s HIS 36 CO 0.84 -0.82 1.91 -1.35 -0.85 0.00 0.00 174.74 174.46 1j52 h PRO 37 N 6.05 0.00 -0.10 8.40 0.11 -1.73 -1.63 132.00 143.09 1j52 h PRO 37 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1j52 h PRO 37 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1j52 h PRO 37 CO 0.35 0.00 -0.02 1.05 -0.21 0.00 0.00 178.00 179.17 1j52 h GLU 38 N 0.00 0.14 -0.00 1.05 9.09 -1.93 -2.09 114.58 120.84 1j52 h GLU 38 Ca 0.36 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.71 1j52 h GLU 38 Cb 1.51 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.58 1j52 h GLU 38 CO -0.00 0.18 -0.23 1.79 0.05 0.00 0.00 179.01 180.80 1j52 h THR 39 N 0.15 1.17 -0.10 -1.06 1.35 -1.64 -2.26 112.91 110.52 1j52 h THR 39 Ca 0.04 -0.79 -0.04 0.00 -0.55 0.00 0.00 66.41 65.06 1j52 h THR 39 Cb 0.14 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1j52 h THR 39 CO 0.00 0.23 -0.12 0.25 -0.25 0.00 0.00 175.52 175.63 1j52 h LEU 40 N 0.00 0.14 -2.61 3.87 5.85 -1.54 -2.05 115.31 118.98 1j52 h LEU 40 Ca -0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1j52 h LEU 40 Cb 0.41 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1j52 h LEU 40 CO 0.03 0.28 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.08 1j52 h GLU 41 N 0.14 0.00 0.00 1.25 4.39 -1.49 -1.42 114.58 117.45 1j52 h GLU 41 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1j52 h GLU 41 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1j52 h GLU 41 CO 0.02 0.00 0.00 0.87 -1.16 0.00 0.00 179.01 178.74 1j52 h LYS 42 N 0.00 0.00 -3.88 2.33 1.79 -1.50 -3.40 116.57 111.91 1j52 h LYS 42 Ca -0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 1j52 h LYS 42 Cb 0.12 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.47 1j52 h LYS 42 CO 0.00 0.00 -0.19 -0.06 -1.08 0.00 0.00 179.45 178.12 1j52 s PHE 43 N -3.21 3.53 0.59 -1.35 0.08 -0.54 -4.88 117.98 112.21 1j52 s PHE 43 Ca 0.08 -2.17 0.29 0.00 0.12 0.00 0.00 56.93 55.25 1j52 s PHE 43 Cb 0.11 -3.53 1.75 0.00 -0.57 0.00 0.00 43.02 40.77 1j52 s PHE 43 CO 0.54 -0.94 2.20 -0.44 -0.10 0.00 0.00 175.22 176.47 1j52 h ASP 44 N 7.75 0.00 0.33 1.36 5.19 -1.82 0.19 116.42 129.42 1j52 h ASP 44 Ca -0.03 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.29 1j52 h ASP 44 Cb 1.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 1j52 h ASP 44 CO 0.78 0.00 -0.37 -0.09 -3.12 0.00 0.00 179.24 176.44 1j52 h ARG 45 N 0.00 0.06 0.00 3.56 2.43 -1.93 -3.33 114.38 115.17 1j52 h ARG 45 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1j52 h ARG 45 Cb 0.18 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1j52 h ARG 45 CO -0.00 0.42 0.00 1.19 -1.51 0.00 0.00 179.97 180.07 1j52 n PHE 46 N -4.09 0.00 -0.32 2.20 3.72 -0.01 -4.79 117.46 114.18 1j52 n PHE 46 Ca -0.02 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.65 1j52 n PHE 46 Cb 0.42 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.54 1j52 n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1j52 h LYS 47 N 0.00 0.26 0.00 -1.08 1.57 -0.84 -1.44 116.57 115.05 1j52 h LYS 47 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j52 h LYS 47 Cb 0.06 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1j52 h LYS 47 CO 0.00 0.17 -0.13 1.12 -0.57 0.00 0.00 179.45 180.04 1j52 h HIS 48 N 0.27 0.00 -2.40 -1.35 2.07 -1.86 -3.44 115.15 108.44 1j52 h HIS 48 Ca 0.59 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 57.58 1j52 h HIS 48 Cb 1.76 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.75 1j52 h HIS 48 CO -0.00 0.13 1.22 -0.51 -3.07 0.00 0.00 177.93 175.70 1j52 s LEU 49 N -7.17 4.35 -0.12 6.12 1.43 -0.54 -4.90 118.68 117.86 1j52 s LEU 49 Ca -0.02 2.53 0.16 0.00 -1.03 0.00 0.00 54.13 55.77 1j52 s LEU 49 Cb 0.13 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.58 1j52 s LEU 49 CO 0.59 -1.08 0.35 0.29 0.23 0.00 0.00 176.35 176.73 1j52 n LYS 50 N 7.53 0.66 -4.29 1.70 5.02 -1.26 -5.01 118.16 122.51 1j52 n LYS 50 Ca 0.20 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.44 1j52 n LYS 50 Cb 0.42 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 1j52 n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1j52 s THR 51 N -2.61 0.87 0.36 -0.18 -4.23 -1.26 -5.03 115.64 103.56 1j52 s THR 51 Ca -0.07 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.47 1j52 s THR 51 Cb 0.07 -2.27 0.20 0.00 1.34 0.00 0.00 72.50 71.84 1j52 s THR 51 CO 0.83 -0.36 1.94 -0.08 -0.54 0.00 0.00 174.62 176.41 1j52 h GLU 52 N 2.55 0.54 -0.67 3.99 4.81 -1.99 -1.92 114.58 121.88 1j52 h GLU 52 Ca -0.38 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1j52 h GLU 52 Cb 1.22 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1j52 h GLU 52 CO 0.63 0.49 0.27 0.00 -0.73 0.00 0.00 179.01 179.67 1j52 h ALA 53 N 1.59 0.88 -0.51 2.92 0.00 -1.99 -0.45 119.26 121.69 1j52 h ALA 53 Ca 0.13 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1j52 h ALA 53 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1j52 h ALA 53 CO -0.01 0.50 -0.05 0.93 0.00 0.00 0.00 179.25 180.62 1j52 h GLU 54 N 0.96 0.89 -0.17 0.00 5.08 -1.78 -2.28 114.58 117.28 1j52 h GLU 54 Ca 0.22 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1j52 h GLU 54 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1j52 h GLU 54 CO -0.02 0.92 0.08 0.52 -1.00 0.00 0.00 179.01 179.51 1j52 h MET 55 N 0.82 0.25 -0.22 2.33 2.86 -0.93 -2.11 114.93 117.93 1j52 h MET 55 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1j52 h MET 55 Cb 0.56 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1j52 h MET 55 CO 0.03 0.30 0.11 0.87 1.06 0.00 0.00 176.91 179.28 1j52 h LYS 56 N 0.14 0.30 0.00 1.72 1.57 -0.95 -2.06 116.57 117.28 1j52 h LYS 56 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1j52 h LYS 56 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j52 h LYS 56 CO -0.01 0.23 -0.22 0.00 -0.57 0.00 0.00 179.45 178.89 1j52 h ALA 57 N 1.82 0.86 -2.08 3.86 0.00 -1.14 -3.45 119.26 119.12 1j52 h ALA 57 Ca 0.08 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 1j52 h ALA 57 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1j52 h ALA 57 CO -0.01 0.00 1.00 0.45 0.00 0.00 0.00 179.25 180.69 1j52 s SER 58 N -4.52 6.69 0.22 0.00 0.15 -0.78 -4.86 113.70 110.60 1j52 s SER 58 Ca 0.09 1.62 0.08 0.00 0.70 0.00 0.00 55.95 58.44 1j52 s SER 58 Cb 0.12 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 1j52 s SER 58 CO 0.64 -1.00 1.50 -0.08 1.20 0.00 0.00 173.24 175.50 1j52 h GLU 59 N 9.33 0.06 -0.59 5.44 4.57 -1.88 -2.81 114.58 128.70 1j52 h GLU 59 Ca -0.30 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.75 1j52 h GLU 59 Cb 1.12 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1j52 h GLU 59 CO 0.99 0.77 0.07 0.22 -1.18 0.00 0.00 179.01 179.88 1j52 h ASP 60 N 0.04 0.96 -0.52 1.04 -0.00 -1.96 -1.77 116.42 114.20 1j52 h ASP 60 Ca -0.01 -0.28 -0.10 0.00 -0.00 0.00 0.00 57.03 56.64 1j52 h ASP 60 Cb 1.31 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 40.36 1j52 h ASP 60 CO 0.10 1.00 -0.08 0.25 -0.00 0.00 0.00 179.24 180.51 1j52 h LEU 61 N 0.90 0.98 -0.91 2.28 6.46 -1.87 -2.48 115.31 120.67 1j52 h LEU 61 Ca 0.18 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 1j52 h LEU 61 Cb 0.46 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1j52 h LEU 61 CO 0.02 1.09 0.10 0.50 -0.62 0.00 0.00 178.44 179.53 1j52 h LYS 62 N 0.85 0.91 -0.64 1.25 3.64 -1.34 -1.55 116.57 119.69 1j52 h LYS 62 Ca 0.14 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1j52 h LYS 62 Cb 0.64 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1j52 h LYS 62 CO 0.04 0.84 0.12 0.87 -2.27 0.00 0.00 179.45 179.04 1j52 h LYS 63 N 0.86 1.06 -0.28 1.90 1.57 -1.17 -2.60 116.57 117.91 1j52 h LYS 63 Ca 0.18 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1j52 h LYS 63 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1j52 h LYS 63 CO 0.01 0.97 -0.28 1.25 -0.57 0.00 0.00 179.45 180.83 1j52 h HIS 64 N 0.97 0.63 -0.77 -1.35 2.76 -1.12 -2.05 115.15 114.22 1j52 h HIS 64 Ca 0.20 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 1j52 h HIS 64 Cb 0.42 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1j52 h HIS 64 CO 0.03 0.78 0.40 0.78 -1.30 0.00 0.00 177.93 178.62 1j52 h GLY 65 N 1.02 1.15 0.98 5.26 0.00 -1.04 -0.27 103.07 110.17 1j52 h GLY 65 Ca 0.07 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1j52 h GLY 65 CO 0.06 0.51 0.07 -2.08 0.00 0.00 0.00 176.54 175.09 1j52 h VAL 66 N 1.08 1.25 -0.52 4.60 2.07 -1.11 -0.94 116.25 122.67 1j52 h VAL 66 Ca 0.27 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1j52 h VAL 66 Cb 0.06 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1j52 h VAL 66 CO -0.04 0.33 0.32 0.74 0.02 0.00 0.00 177.57 178.94 1j52 h THR 67 N 0.68 1.16 -0.03 2.57 2.02 -0.86 -0.56 112.91 117.88 1j52 h THR 67 Ca 0.15 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1j52 h THR 67 Cb 0.40 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1j52 h THR 67 CO 0.01 0.16 0.01 0.58 0.37 0.00 0.00 175.52 176.65 1j52 h VAL 68 N 0.70 1.10 -0.16 3.16 2.07 -0.88 -2.03 116.25 120.22 1j52 h VAL 68 Ca 0.19 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 1j52 h VAL 68 Cb -0.02 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1j52 h VAL 68 CO -0.04 0.08 -0.35 -0.07 0.02 0.00 0.00 177.57 177.21 1j52 h LEU 69 N -0.07 0.33 -0.46 2.57 3.38 -1.10 -1.37 115.31 118.59 1j52 h LEU 69 Ca 0.01 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1j52 h LEU 69 Cb 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1j52 h LEU 69 CO -0.00 0.66 -0.10 0.74 0.09 0.00 0.00 178.44 179.83 1j52 h THR 70 N 0.28 1.27 -0.57 0.22 2.02 -1.04 0.13 112.91 115.22 1j52 h THR 70 Ca 0.03 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 65.90 1j52 h THR 70 Cb 0.75 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1j52 h THR 70 CO 0.06 0.42 -0.01 0.00 0.37 0.00 0.00 175.52 176.36 1j52 h ALA 71 N 0.88 0.76 -0.37 6.16 0.00 -1.13 -2.11 119.26 123.46 1j52 h ALA 71 Ca 0.12 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1j52 h ALA 71 Cb 0.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1j52 h ALA 71 CO 0.04 0.60 -0.22 1.25 0.00 0.00 0.00 179.25 180.93 1j52 h LEU 72 N 0.89 0.83 -0.85 0.00 5.85 -1.13 -2.84 115.31 118.07 1j52 h LEU 72 Ca 0.16 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1j52 h LEU 72 Cb 0.56 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1j52 h LEU 72 CO 0.03 1.07 0.54 1.23 -0.34 0.00 0.00 178.44 180.98 1j52 h GLY 73 N 0.59 1.21 1.51 3.75 0.00 -0.64 -0.28 103.07 109.21 1j52 h GLY 73 Ca 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1j52 h GLY 73 CO 0.06 0.46 0.00 0.00 0.00 0.00 0.00 176.54 177.07 1j52 h ALA 74 N 1.30 1.29 -0.03 3.60 0.00 -1.30 -1.54 119.26 122.58 1j52 h ALA 74 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1j52 h ALA 74 Cb -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1j52 h ALA 74 CO -0.06 0.48 -0.03 0.82 0.00 0.00 0.00 179.25 180.45 1j52 h ILE 75 N 0.58 1.40 -0.91 0.00 2.04 -1.15 -3.20 117.51 116.27 1j52 h ILE 75 Ca 0.12 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1j52 h ILE 75 Cb 0.36 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 1j52 h ILE 75 CO 0.01 0.33 0.60 -0.07 0.00 0.00 0.00 178.15 179.02 1j52 h LEU 76 N -0.42 1.01 -0.74 1.44 3.38 -0.91 -1.94 115.31 117.14 1j52 h LEU 76 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j52 h LEU 76 Cb 0.56 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1j52 h LEU 76 CO 0.01 0.71 0.00 0.29 0.09 0.00 0.00 178.44 179.54 1j52 n LYS 77 N -4.42 0.14 0.03 1.13 5.02 -0.59 -1.56 118.16 117.91 1j52 n LYS 77 Ca 0.11 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 57.00 1j52 n LYS 77 Cb 0.06 -1.82 0.48 0.00 -0.02 0.00 0.00 35.03 33.74 1j52 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j52 n LYS 78 N -2.09 0.10 -3.89 1.97 4.76 -0.73 -4.97 118.16 113.31 1j52 n LYS 78 Ca 0.01 0.07 -0.25 0.00 -2.87 0.00 0.00 58.31 55.28 1j52 n LYS 78 Cb 0.16 -1.60 -0.01 0.00 -1.84 0.00 0.00 35.03 31.74 1j52 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j52 n LYS 79 N -1.77 -3.79 0.00 1.97 5.02 -0.60 -1.99 118.16 117.00 1j52 n LYS 79 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1j52 n LYS 79 Cb 0.37 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 1j52 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j52 n GLY 80 N -1.85 3.40 2.66 0.72 0.00 -1.26 -4.97 105.19 103.89 1j52 n GLY 80 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1j52 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j52 n HIS 81 N -1.69 2.64 -0.39 1.61 8.25 -0.84 -4.66 115.22 120.15 1j52 n HIS 81 Ca 0.00 -2.68 0.05 0.00 -0.26 0.00 0.00 57.72 54.83 1j52 n HIS 81 Cb 0.00 -1.53 0.14 0.00 1.12 0.00 0.00 29.99 29.72 1j52 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1j52 n HIS 82 N 1.28 0.41 -0.27 4.41 1.44 -1.26 -4.75 115.22 116.48 1j52 n HIS 82 Ca 0.49 -0.62 0.04 0.00 -2.01 0.00 0.00 57.72 55.61 1j52 n HIS 82 Cb 0.28 -0.10 0.13 0.00 0.12 0.00 0.00 29.99 30.42 1j52 n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1j52 h GLU 83 N 1.32 0.04 -0.43 -1.40 9.09 -2.00 -0.60 114.58 120.60 1j52 h GLU 83 Ca 0.00 -0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.32 1j52 h GLU 83 Cb 0.85 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.92 1j52 h GLU 83 CO 0.05 0.03 -0.08 0.00 0.05 0.00 0.00 179.01 179.05 1j52 h ALA 84 N 1.77 1.06 0.00 1.06 0.00 -2.01 -2.99 119.26 118.15 1j52 h ALA 84 Ca 0.41 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1j52 h ALA 84 Cb 0.68 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1j52 h ALA 84 CO -0.76 0.58 -0.57 0.93 0.00 0.00 0.00 179.25 179.43 1j52 h GLU 85 N 0.68 0.00 0.02 0.00 3.07 -1.62 -3.31 114.58 113.42 1j52 h GLU 85 Ca 0.12 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.77 1j52 h GLU 85 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1j52 h GLU 85 CO 0.03 0.57 -0.95 -0.07 -1.40 0.00 0.00 179.01 177.19 1j52 h LEU 86 N 0.00 0.28 0.15 1.33 4.07 -1.02 -3.37 115.31 116.75 1j52 h LEU 86 Ca -0.01 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1j52 h LEU 86 Cb 1.22 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.82 1j52 h LEU 86 CO 0.07 1.08 -0.53 0.11 -1.08 0.00 0.00 178.44 178.10 1j52 h LYS 87 N 0.10 -0.74 -0.03 1.13 1.57 -1.62 0.95 116.57 117.94 1j52 h LYS 87 Ca -0.06 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1j52 h LYS 87 Cb 1.60 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 34.08 1j52 h LYS 87 CO 0.15 -0.50 -0.19 -1.00 -0.57 0.00 0.00 179.45 177.34 1j52 h PRO 88 N -0.77 0.04 -0.19 3.15 0.13 -1.78 -0.76 132.00 131.82 1j52 h PRO 88 Ca -0.01 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1j52 h PRO 88 Cb 0.77 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1j52 h PRO 88 CO -0.27 0.23 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.62 1j52 h LEU 89 N 0.04 0.36 -0.65 1.56 3.38 -1.62 -1.24 115.31 117.14 1j52 h LEU 89 Ca 0.01 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1j52 h LEU 89 Cb 0.35 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1j52 h LEU 89 CO 0.02 0.63 0.29 0.00 0.09 0.00 0.00 178.44 179.47 1j52 h ALA 90 N 0.74 0.84 -0.16 1.53 0.00 -0.53 -1.36 119.26 120.33 1j52 h ALA 90 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1j52 h ALA 90 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1j52 h ALA 90 CO 0.02 0.43 0.06 0.37 0.00 0.00 0.00 179.25 180.13 1j52 h GLN 91 N 0.91 0.25 -0.41 0.00 4.15 -1.01 -0.58 115.11 118.41 1j52 h GLN 91 Ca 0.22 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 1j52 h GLN 91 Cb 0.16 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1j52 h GLN 91 CO -0.02 0.34 -0.21 0.66 -1.93 0.00 0.00 178.83 177.67 1j52 h SER 92 N 0.10 0.83 1.12 -0.69 4.64 -1.15 -0.84 113.55 117.55 1j52 h SER 92 Ca 0.05 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1j52 h SER 92 Cb 0.19 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1j52 h SER 92 CO -0.00 1.01 -0.44 0.45 -0.87 0.00 0.00 176.83 176.98 1j52 h HIS 93 N 0.71 0.00 0.07 4.77 3.86 -1.19 -0.07 115.15 123.30 1j52 h HIS 93 Ca 0.10 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.09 1j52 h HIS 93 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1j52 h HIS 93 CO 0.04 0.44 -1.13 0.00 0.86 0.00 0.00 177.93 178.14 1j52 h ALA 94 N 1.56 0.16 0.09 2.45 0.00 -1.00 0.22 119.26 122.75 1j52 h ALA 94 Ca -0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 54.91 53.53 1j52 h ALA 94 Cb 1.12 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1j52 h ALA 94 CO 0.06 0.65 -2.04 2.41 0.00 0.00 0.00 179.25 180.33 1j52 n THR 95 N -4.16 1.72 -0.09 0.00 -1.04 -0.33 -3.85 114.28 106.54 1j52 n THR 95 Ca -0.24 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.05 60.99 1j52 n THR 95 Cb 0.78 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.64 1j52 n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1j52 n LYS 96 N -3.39 0.50 0.12 -2.82 3.00 -0.59 -4.63 118.16 110.34 1j52 n LYS 96 Ca -0.32 0.48 0.01 0.00 -0.00 0.00 0.00 58.31 58.48 1j52 n LYS 96 Cb 1.04 -1.66 -0.00 0.00 0.00 0.00 0.00 35.03 34.41 1j52 n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1j52 h HIS 97 N -1.00 0.00 -5.69 5.64 -0.00 -1.22 -3.49 115.15 109.39 1j52 h HIS 97 Ca -0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.06 1j52 h HIS 97 Cb 0.86 0.00 0.04 0.00 -0.00 0.00 0.00 27.41 28.31 1j52 h HIS 97 CO -0.16 0.56 -0.42 1.63 -0.00 0.00 0.00 177.93 179.55 1j52 n LYS 98 N -3.19 -1.49 -3.66 2.45 4.01 -0.39 -4.98 118.16 110.91 1j52 n LYS 98 Ca 0.00 1.16 -0.39 0.00 -0.51 0.00 0.00 58.31 58.58 1j52 n LYS 98 Cb 0.77 -5.06 -0.12 0.00 -0.51 0.00 0.00 35.03 30.11 1j52 n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1j52 s ILE 99 N -3.11 4.47 0.59 -0.18 -1.09 0.65 -5.01 121.20 117.52 1j52 s ILE 99 Ca 0.13 -0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 1j52 s ILE 99 Cb -0.03 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1j52 s ILE 99 CO 0.78 -0.00 1.13 -2.16 -1.23 0.00 0.00 174.94 173.46 1j52 s PRO 100 N 1.58 3.11 0.37 2.79 0.04 -1.26 -4.80 135.00 136.82 1j52 s PRO 100 Ca 0.04 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.73 1j52 s PRO 100 Cb -0.18 -1.98 0.92 0.00 0.04 0.00 0.00 34.50 33.31 1j52 s PRO 100 CO 0.06 -1.03 1.83 0.82 0.04 0.00 0.00 177.00 178.72 1j52 h ILE 101 N 0.71 0.72 -0.82 0.56 1.08 -1.99 -0.39 117.51 117.38 1j52 h ILE 101 Ca -0.49 -0.20 0.14 0.00 -0.39 0.00 0.00 64.86 63.92 1j52 h ILE 101 Cb 1.26 0.09 -0.09 0.00 -3.07 0.00 0.00 36.82 35.01 1j52 h ILE 101 CO 0.56 0.11 0.41 0.50 -0.69 0.00 0.00 178.15 179.03 1j52 h LYS 102 N 0.58 0.58 0.00 2.37 1.63 -1.91 -0.23 116.57 119.58 1j52 h LYS 102 Ca 0.50 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.20 1j52 h LYS 102 Cb 1.00 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 1j52 h LYS 102 CO -0.24 0.38 -0.30 1.88 -3.45 0.00 0.00 179.45 177.72 1j52 h TYR 103 N 0.60 0.00 0.00 1.91 0.99 -1.43 -1.77 116.97 117.27 1j52 h TYR 103 Ca 0.44 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.06 1j52 h TYR 103 Cb 0.62 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.33 1j52 h TYR 103 CO -0.10 0.30 -0.52 -0.07 -0.00 0.00 0.00 178.16 177.76 1j52 h LEU 104 N 0.00 0.00 -0.27 3.88 3.38 -1.02 -1.99 115.31 119.28 1j52 h LEU 104 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1j52 h LEU 104 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1j52 h LEU 104 CO 0.04 0.52 -0.30 -0.33 0.09 0.00 0.00 178.44 178.46 1j52 h GLU 105 N 0.00 0.68 -0.76 1.13 5.08 -0.84 -1.93 114.58 117.94 1j52 h GLU 105 Ca -0.01 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1j52 h GLU 105 Cb 0.99 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1j52 h GLU 105 CO 0.07 0.98 0.49 0.74 -1.00 0.00 0.00 179.01 180.29 1j52 h PHE 106 N 0.41 0.98 0.00 4.33 0.05 -1.13 -1.66 116.94 119.92 1j52 h PHE 106 Ca 0.04 0.01 -0.13 0.00 3.82 0.00 0.00 57.97 61.72 1j52 h PHE 106 Cb 0.87 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.48 1j52 h PHE 106 CO 0.07 0.63 -0.60 0.97 -0.18 0.00 0.00 178.31 179.20 1j52 h ILE 107 N 1.04 1.43 -0.51 -0.55 2.10 -1.30 -2.01 117.51 117.70 1j52 h ILE 107 Ca 0.28 -2.07 -0.03 0.00 1.08 0.00 0.00 64.86 64.12 1j52 h ILE 107 Cb -0.09 2.12 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 1j52 h ILE 107 CO -0.06 0.59 0.22 0.28 -1.08 0.00 0.00 178.15 178.10 1j52 h SER 108 N 0.00 0.69 -0.69 2.19 0.02 -0.97 -0.09 113.55 114.70 1j52 h SER 108 Ca -0.01 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1j52 h SER 108 Cb 1.07 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 1j52 h SER 108 CO 0.08 0.65 0.37 -0.08 -1.14 0.00 0.00 176.83 176.71 1j52 h GLU 109 N 0.68 0.96 -0.75 3.45 4.57 -1.15 -1.79 114.58 120.55 1j52 h GLU 109 Ca 0.17 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1j52 h GLU 109 Cb 0.17 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1j52 h GLU 109 CO -0.02 0.73 0.31 0.00 -1.18 0.00 0.00 179.01 178.85 1j52 h ALA 110 N 1.18 0.97 -0.30 2.92 0.00 -0.80 -1.55 119.26 121.68 1j52 h ALA 110 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j52 h ALA 110 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1j52 h ALA 110 CO -0.04 0.59 0.14 0.82 0.00 0.00 0.00 179.25 180.76 1j52 h ILE 111 N 1.07 1.15 -0.74 0.00 2.04 -0.69 -1.94 117.51 118.40 1j52 h ILE 111 Ca 0.25 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1j52 h ILE 111 Cb 0.20 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1j52 h ILE 111 CO -0.02 0.16 0.35 0.40 0.00 0.00 0.00 178.15 179.04 1j52 h ILE 112 N 0.35 1.24 -0.23 -0.67 2.04 -1.20 -1.62 117.51 117.42 1j52 h ILE 112 Ca 0.10 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1j52 h ILE 112 Cb 0.12 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1j52 h ILE 112 CO -0.01 0.28 0.13 -0.74 0.00 0.00 0.00 178.15 177.81 1j52 h HIS 113 N 1.04 0.31 -0.56 1.37 2.76 -1.10 -0.95 115.15 118.01 1j52 h HIS 113 Ca 0.25 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1j52 h HIS 113 Cb 0.12 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.96 1j52 h HIS 113 CO 0.01 0.26 0.14 0.28 -1.30 0.00 0.00 177.93 177.32 1j52 h VAL 114 N 0.26 1.25 -0.43 5.26 2.07 -1.20 -1.62 116.25 121.83 1j52 h VAL 114 Ca 0.08 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 1j52 h VAL 114 Cb 0.05 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1j52 h VAL 114 CO -0.01 0.32 -0.14 -0.07 0.02 0.00 0.00 177.57 177.69 1j52 h LEU 115 N 0.80 0.80 -0.67 2.57 3.38 -1.19 -0.69 115.31 120.32 1j52 h LEU 115 Ca 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1j52 h LEU 115 Cb 0.33 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1j52 h LEU 115 CO 0.00 0.95 0.32 -0.74 0.09 0.00 0.00 178.44 179.06 1j52 h HIS 116 N 0.72 0.97 -0.17 1.13 2.76 -0.95 0.64 115.15 120.24 1j52 h HIS 116 Ca 0.12 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.11 1j52 h HIS 116 Cb 0.64 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1j52 h HIS 116 CO 0.03 0.72 -0.38 0.77 -1.30 0.00 0.00 177.93 177.78 1j52 h SER 117 N 0.93 0.63 1.17 3.26 0.02 -0.99 -3.26 113.55 115.31 1j52 h SER 117 Ca 0.23 -0.56 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1j52 h SER 117 Cb 0.12 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1j52 h SER 117 CO -0.03 1.07 -0.87 0.03 -1.14 0.00 0.00 176.83 175.90 1j52 h ARG 118 N 0.21 0.00 -1.78 3.45 3.08 -1.11 -3.40 114.38 114.82 1j52 h ARG 118 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1j52 h ARG 118 Cb 0.98 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.62 1j52 h ARG 118 CO 0.08 0.23 -0.99 0.72 -1.07 0.00 0.00 179.97 178.95 1j52 n HIS 119 N -2.96 1.85 -0.26 3.04 8.25 0.21 -4.93 115.22 120.42 1j52 n HIS 119 Ca -0.02 -3.54 0.10 0.00 -0.26 0.00 0.00 57.72 54.00 1j52 n HIS 119 Cb 0.70 -0.38 0.36 0.00 1.12 0.00 0.00 29.99 31.79 1j52 n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j52 h PRO 120 N 2.93 0.72 0.00 -0.41 0.13 -1.72 -0.25 132.00 133.40 1j52 h PRO 120 Ca 0.09 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1j52 h PRO 120 Cb 0.89 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1j52 h PRO 120 CO 0.63 0.47 -0.14 0.78 -0.23 0.00 0.00 178.00 179.51 1j52 h GLY 121 N 0.74 0.00 -1.04 1.56 0.00 -1.92 -2.95 103.07 99.46 1j52 h GLY 121 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1j52 h GLY 121 CO -0.18 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.06 1j52 n ASN 122 N -3.27 2.81 -2.97 0.19 3.02 -0.45 -4.67 115.26 109.92 1j52 n ASN 122 Ca 0.01 -2.08 -0.17 0.00 -0.03 0.00 0.00 54.58 52.31 1j52 n ASN 122 Cb 0.40 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1j52 n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1j52 n PHE 123 N 0.23 1.03 -0.96 3.10 7.35 -0.23 -4.68 117.46 123.29 1j52 n PHE 123 Ca 0.10 -3.49 -0.06 0.00 -0.76 0.00 0.00 57.45 53.24 1j52 n PHE 123 Cb 0.43 -0.40 0.04 0.00 0.35 0.00 0.00 39.48 39.90 1j52 n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1j52 n GLY 124 N 0.08 -1.71 0.17 7.13 0.00 -1.25 -4.62 105.19 104.99 1j52 n GLY 124 Ca 0.21 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 1j52 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j52 h ALA 125 N -2.03 0.50 -0.52 4.61 0.00 -1.98 -0.67 119.26 119.16 1j52 h ALA 125 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j52 h ALA 125 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1j52 h ALA 125 CO 0.06 -0.18 0.27 -0.44 0.00 0.00 0.00 179.25 178.96 1j52 h ASP 126 N 0.38 0.67 -0.56 0.00 3.45 -1.99 -1.00 116.42 117.37 1j52 h ASP 126 Ca 0.18 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.46 1j52 h ASP 126 Cb 0.11 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1j52 h ASP 126 CO -0.14 0.58 0.08 0.00 -1.57 0.00 0.00 179.24 178.19 1j52 h ALA 127 N 1.11 1.03 -0.41 3.45 0.00 -1.81 -2.08 119.26 120.55 1j52 h ALA 127 Ca 0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1j52 h ALA 127 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1j52 h ALA 127 CO -0.03 0.62 -0.22 0.37 0.00 0.00 0.00 179.25 179.99 1j52 h GLN 128 N 0.91 0.82 -0.53 0.00 4.15 -0.91 -1.35 115.11 118.21 1j52 h GLN 128 Ca 0.18 -0.33 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1j52 h GLN 128 Cb 0.42 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1j52 h GLN 128 CO 0.01 0.96 0.08 0.78 -1.93 0.00 0.00 178.83 178.73 1j52 h GLY 129 N 0.95 0.89 1.24 2.39 0.00 -0.88 -0.07 103.07 107.59 1j52 h GLY 129 Ca 0.10 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 1j52 h GLY 129 CO 0.06 0.51 -0.46 0.00 0.00 0.00 0.00 176.54 176.65 1j52 h ALA 130 N 1.30 0.60 -0.48 3.60 0.00 -1.07 -1.19 119.26 122.01 1j52 h ALA 130 Ca 0.17 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1j52 h ALA 130 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1j52 h ALA 130 CO 0.01 0.68 -0.09 1.98 0.00 0.00 0.00 179.25 181.82 1j52 h MET 131 N 0.65 0.92 -0.65 0.00 -1.53 -1.03 -1.56 114.93 111.73 1j52 h MET 131 Ca 0.04 -0.34 -0.01 0.00 -3.44 0.00 0.00 59.70 55.95 1j52 h MET 131 Cb 1.04 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 32.00 1j52 h MET 131 CO 0.10 0.99 0.38 -0.97 0.14 0.00 0.00 176.91 177.55 1j52 h ASN 132 N 0.77 0.79 -0.92 1.39 -1.24 -0.91 -0.87 115.58 114.59 1j52 h ASN 132 Ca 0.13 -0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1j52 h ASN 132 Cb 0.64 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.44 1j52 h ASN 132 CO 0.04 0.63 0.54 0.11 -1.29 0.00 0.00 177.43 177.46 1j52 h LYS 133 N 0.88 1.25 -0.55 6.67 1.57 -0.97 -0.04 116.57 125.38 1j52 h LYS 133 Ca 0.23 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1j52 h LYS 133 Cb -0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1j52 h LYS 133 CO -0.04 0.89 0.01 0.00 -0.57 0.00 0.00 179.45 179.74 1j52 h ALA 134 N 1.29 0.74 -0.08 3.86 0.00 -0.88 -0.54 119.26 123.65 1j52 h ALA 134 Ca 0.33 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1j52 h ALA 134 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1j52 h ALA 134 CO -0.06 0.55 -0.68 -0.07 0.00 0.00 0.00 179.25 178.99 1j52 h LEU 135 N 0.84 0.42 -0.59 0.00 3.38 -0.99 -1.95 115.31 116.44 1j52 h LEU 135 Ca 0.16 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1j52 h LEU 135 Cb 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1j52 h LEU 135 CO 0.03 0.98 0.11 -0.33 0.09 0.00 0.00 178.44 179.31 1j52 h GLU 136 N 0.26 0.96 -0.27 1.13 5.08 -0.82 -0.91 114.58 120.02 1j52 h GLU 136 Ca -0.02 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1j52 h GLU 136 Cb 1.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1j52 h GLU 136 CO 0.11 0.91 0.16 1.25 -1.00 0.00 0.00 179.01 180.44 1j52 h LEU 137 N 0.86 0.32 -0.13 1.33 5.85 -0.97 -0.37 115.31 122.19 1j52 h LEU 137 Ca 0.18 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1j52 h LEU 137 Cb 0.40 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1j52 h LEU 137 CO 0.01 0.26 -0.10 0.15 -0.34 0.00 0.00 178.44 178.42 1j52 h PHE 138 N 0.34 -0.25 -0.80 1.25 3.04 -1.13 -1.31 116.94 118.07 1j52 h PHE 138 Ca 0.10 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 1j52 h PHE 138 Cb 0.00 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.61 1j52 h PHE 138 CO -0.05 -0.16 0.34 0.00 -2.02 0.00 0.00 178.31 176.43 1j52 h ARG 139 N -0.11 1.19 -0.41 1.11 3.08 -1.00 -0.87 114.38 117.36 1j52 h ARG 139 Ca 0.08 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1j52 h ARG 139 Cb 0.24 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1j52 h ARG 139 CO -0.20 0.94 0.18 -0.22 -1.07 0.00 0.00 179.97 179.60 1j52 h LYS 140 N 1.16 0.61 -0.32 0.04 3.64 -0.76 0.06 116.57 121.00 1j52 h LYS 140 Ca 0.27 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 1j52 h LYS 140 Cb 0.18 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1j52 h LYS 140 CO -0.03 0.56 -0.34 -0.44 -2.27 0.00 0.00 179.45 176.93 1j52 h ASP 141 N 0.53 0.75 -0.58 4.20 3.32 -1.09 -1.86 116.42 121.69 1j52 h ASP 141 Ca 0.14 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 1j52 h ASP 141 Cb 0.17 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1j52 h ASP 141 CO -0.01 1.03 -0.05 0.40 -1.72 0.00 0.00 179.24 178.88 1j52 h ILE 142 N 0.60 1.27 -0.76 0.35 1.08 -0.99 -1.86 117.51 117.21 1j52 h ILE 142 Ca 0.06 -1.21 -0.06 0.00 -0.39 0.00 0.00 64.86 63.26 1j52 h ILE 142 Cb 0.87 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 1j52 h ILE 142 CO 0.08 0.44 0.25 0.00 -0.69 0.00 0.00 178.15 178.22 1j52 h ALA 143 N 0.97 0.99 -0.63 1.87 0.00 -0.84 0.57 119.26 122.19 1j52 h ALA 143 Ca 0.16 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1j52 h ALA 143 Cb 0.62 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1j52 h ALA 143 CO 0.04 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.15 1j52 h ALA 144 N 1.13 1.16 -0.43 0.00 0.00 -1.16 -2.12 119.26 117.84 1j52 h ALA 144 Ca 0.25 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1j52 h ALA 144 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1j52 h ALA 144 CO -0.01 0.58 -0.28 0.87 0.00 0.00 0.00 179.25 180.42 1j52 h LYS 145 N 0.92 0.95 -0.55 0.00 1.79 -0.65 -2.73 116.57 116.30 1j52 h LYS 145 Ca 0.21 -0.44 0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1j52 h LYS 145 Cb 0.27 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.85 1j52 h LYS 145 CO -0.01 1.11 0.23 1.88 -1.08 0.00 0.00 179.45 181.58 1j52 h TYR 146 N 0.79 0.42 -0.54 -1.35 0.99 -0.48 -0.92 116.97 115.87 1j52 h TYR 146 Ca 0.09 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.85 1j52 h TYR 146 Cb 0.86 -0.10 -0.03 0.00 1.00 0.00 0.00 36.73 38.46 1j52 h TYR 146 CO 0.06 0.15 0.35 -0.22 -0.00 0.00 0.00 178.16 178.50 1j52 h LYS 147 N 0.44 0.68 -0.26 4.88 3.64 -1.28 -0.57 116.57 124.09 1j52 h LYS 147 Ca 0.26 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1j52 h LYS 147 Cb 0.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1j52 h LYS 147 CO -0.24 0.45 -0.04 0.93 -2.27 0.00 0.00 179.45 178.28 1j52 h GLU 148 N 0.70 0.41 -0.00 1.90 5.08 -1.07 -2.58 114.58 119.03 1j52 h GLU 148 Ca 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1j52 h GLU 148 Cb -0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1j52 h GLU 148 CO -0.06 0.47 -0.02 1.28 -1.00 0.00 0.00 179.01 179.68 1j52 n LEU 149 N -4.29 0.03 0.00 1.33 4.77 -0.42 -4.92 117.00 113.51 1j52 n LEU 149 Ca 0.01 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1j52 n LEU 149 Cb 0.25 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1j52 n LEU 149 CO 0.38 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1j52 n GLY 150 N 1.41 0.99 1.00 -0.72 0.00 -0.64 -5.00 105.19 102.23 1j52 n GLY 150 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 1j52 n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1j52 n TYR 151 N -2.43 0.00 -1.09 1.61 4.19 -0.32 -5.02 117.16 114.10 1j52 n TYR 151 Ca 0.00 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.19 1j52 n TYR 151 Cb 0.12 -0.03 0.00 0.00 0.49 0.00 0.00 39.34 39.93 1j52 n TYR 151 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1j52 n GLN 152 N -3.45 -0.11 0.00 2.98 -0.06 -1.10 -4.89 117.38 110.75 1j52 n GLN 152 Ca -0.01 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 1j52 n GLN 152 Cb 0.12 -0.22 0.00 0.00 -4.06 0.00 0.00 30.24 26.08 1j52 n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27