#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n24 h GLU 43 N 0.00 0.24 0.44 -1.09 5.08 -2.07 -2.47 114.58 114.71 3n24 h GLU 43 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3n24 h GLU 43 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3n24 h GLU 43 CO 0.00 0.16 -0.21 1.96 -1.00 0.00 0.00 179.01 179.92 3n24 h GLN 44 N 0.25 -0.56 -0.02 2.33 4.20 -2.09 0.39 115.11 119.60 3n24 h GLN 44 Ca 0.66 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.41 3n24 h GLN 44 Cb 1.93 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.84 3n24 h GLN 44 CO -0.29 -0.38 0.00 -2.13 -0.67 0.00 0.00 178.83 175.36 3n24 n ARG 45 N -3.95 0.00 0.00 1.46 3.00 -0.93 -1.89 116.66 114.35 3n24 n ARG 45 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 3n24 n ARG 45 Cb 0.23 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 32.00 3n24 n ARG 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3n24 n SER 47 N 0.19 0.00 0.05 6.15 2.88 0.13 -2.17 113.62 120.85 3n24 n SER 47 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3n24 n SER 47 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 3n24 n SER 47 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3n24 h HIS 48 N 0.00 0.56 -0.50 0.66 -0.00 -1.64 -1.45 115.15 112.78 3n24 h HIS 48 Ca 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.12 3n24 h HIS 48 Cb 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3n24 h HIS 48 CO 0.00 0.99 0.29 0.45 -0.00 0.00 0.00 177.93 179.66 3n24 h HIS 49 N 0.30 0.68 -0.69 2.45 3.86 -1.71 -1.52 115.15 118.51 3n24 h HIS 49 Ca -0.02 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3n24 h HIS 49 Cb 1.27 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 3n24 h HIS 49 CO 0.04 0.49 0.13 1.88 0.86 0.00 0.00 177.93 181.33 3n24 h TYR 50 N 0.67 1.19 -0.79 2.45 0.05 -1.81 -1.79 116.97 116.93 3n24 h TYR 50 Ca 0.18 -0.15 0.12 0.00 0.05 0.00 0.00 58.73 58.93 3n24 h TYR 50 Cb 0.02 -0.33 -0.09 0.00 1.01 0.00 0.00 36.73 37.34 3n24 h TYR 50 CO -0.02 0.98 0.40 0.00 -1.05 0.00 0.00 178.16 178.46 3n24 h ALA 51 N 1.08 1.15 -0.62 3.88 0.00 -1.02 0.30 119.26 124.03 3n24 h ALA 51 Ca 0.21 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3n24 h ALA 51 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3n24 h ALA 51 CO 0.01 -0.07 0.12 1.15 0.00 0.00 0.00 179.25 180.46 3n24 h THR 52 N 0.61 1.26 -0.77 0.00 2.02 -0.72 -0.12 112.91 115.18 3n24 h THR 52 Ca 0.42 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 3n24 h THR 52 Cb 0.53 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3n24 h THR 52 CO -0.33 0.36 0.47 0.40 0.37 0.00 0.00 175.52 176.80 3n24 h ILE 53 N 0.93 1.21 -0.79 3.11 1.08 -0.50 -1.08 117.51 121.48 3n24 h ILE 53 Ca 0.19 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3n24 h ILE 53 Cb 0.40 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.23 3n24 h ILE 53 CO 0.01 0.22 0.51 -0.08 -0.69 0.00 0.00 178.15 178.12 3n24 h GLU 54 N 1.06 1.05 -0.30 2.37 4.57 0.40 -0.92 114.58 122.82 3n24 h GLU 54 Ca 0.28 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3n24 h GLU 54 Cb -0.05 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.29 3n24 h GLU 54 CO -0.05 0.71 0.09 0.28 -1.18 0.00 0.00 179.01 178.86 3n24 h VAL 55 N 1.07 1.21 -0.60 0.32 2.07 -0.27 -2.62 116.25 117.43 3n24 h VAL 55 Ca 0.29 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3n24 h VAL 55 Cb -0.09 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3n24 h VAL 55 CO -0.06 0.22 0.17 0.77 0.02 0.00 0.00 177.57 178.69 3n24 h SER 56 N 0.32 0.89 -0.56 0.57 4.64 -0.88 -1.25 113.55 117.28 3n24 h SER 56 Ca 0.09 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.11 3n24 h SER 56 Cb 0.26 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3n24 h SER 56 CO -0.00 0.88 0.02 -0.61 -0.87 0.00 0.00 176.83 176.25 3n24 h GLN 57 N 0.86 1.00 -0.32 4.77 5.75 -1.16 -1.90 115.11 124.11 3n24 h GLN 57 Ca 0.19 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3n24 h GLN 57 Cb 0.32 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3n24 h GLN 57 CO -0.00 0.97 0.09 1.96 -2.65 0.00 0.00 178.83 179.19 3n24 h GLN 58 N 0.92 0.51 -0.85 1.69 4.20 -1.13 -1.99 115.11 118.46 3n24 h GLN 58 Ca 0.17 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3n24 h GLN 58 Cb 0.50 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3n24 h GLN 58 CO 0.02 0.56 0.40 -0.07 -0.67 0.00 0.00 178.83 179.07 3n24 h LEU 59 N 0.36 1.11 -0.96 1.46 3.38 -1.05 -1.54 115.31 118.07 3n24 h LEU 59 Ca 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3n24 h LEU 59 Cb 0.27 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3n24 h LEU 59 CO -0.00 0.94 0.18 0.03 0.09 0.00 0.00 178.44 179.68 3n24 h ARG 60 N 1.21 0.94 -0.47 1.13 3.08 -1.25 -0.50 114.38 118.52 3n24 h ARG 60 Ca 0.29 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 3n24 h ARG 60 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3n24 h ARG 60 CO -0.04 0.81 -0.01 0.37 -1.07 0.00 0.00 179.97 180.04 3n24 h GLN 61 N 0.91 0.84 -0.73 0.04 4.15 -0.97 -1.54 115.11 117.80 3n24 h GLN 61 Ca 0.20 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 3n24 h GLN 61 Cb 0.27 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 3n24 h GLN 61 CO -0.01 0.89 0.30 -0.07 -1.93 0.00 0.00 178.83 178.01 3n24 h LEU 62 N 0.69 1.00 -0.72 -2.39 3.38 -1.06 -0.49 115.31 115.72 3n24 h LEU 62 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3n24 h LEU 62 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3n24 h LEU 62 CO 0.03 0.90 0.39 0.25 0.09 0.00 0.00 178.44 180.09 3n24 h LEU 63 N 1.05 0.91 -0.59 1.67 5.85 -0.97 -0.89 115.31 122.34 3n24 h LEU 63 Ca 0.24 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3n24 h LEU 63 Cb 0.20 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3n24 h LEU 63 CO -0.02 0.75 0.36 1.23 -0.34 0.00 0.00 178.44 180.42 3n24 h GLY 64 N 1.00 0.85 0.38 3.75 0.00 -0.97 -1.53 103.07 106.55 3n24 h GLY 64 Ca 0.25 -0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.34 3n24 h GLY 64 CO -0.04 0.34 0.29 -0.55 0.00 0.00 0.00 176.54 176.58 3n24 h ASP 65 N 0.79 0.33 -0.63 0.19 3.32 -0.61 -2.21 116.42 117.60 3n24 h ASP 65 Ca 0.21 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 3n24 h ASP 65 Cb -0.03 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3n24 h ASP 65 CO -0.04 0.18 0.18 1.56 -1.72 0.00 0.00 179.24 179.40 3n24 h GLN 66 N 0.49 1.02 -0.06 3.56 4.20 -0.21 -1.32 115.11 122.78 3n24 h GLN 66 Ca 0.34 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3n24 h GLN 66 Cb 0.42 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3n24 h GLN 66 CO -0.31 0.88 0.04 -0.07 -0.67 0.00 0.00 178.83 178.70 3n24 h LEU 67 N 0.98 0.07 0.26 1.46 3.38 -0.85 -1.30 115.31 119.30 3n24 h LEU 67 Ca 0.21 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3n24 h LEU 67 Cb 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3n24 h LEU 67 CO -0.00 0.08 -0.40 0.58 0.09 0.00 0.00 178.44 178.78 3n24 h VAL 68 N 0.05 0.18 -0.95 1.22 2.07 -1.10 0.33 116.25 118.05 3n24 h VAL 68 Ca 0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.79 3n24 h VAL 68 Cb 0.02 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 29.85 3n24 h VAL 68 CO -0.00 0.00 0.48 0.40 0.02 0.00 0.00 177.57 178.46 3n24 h ILE 69 N -0.73 0.45 0.00 4.57 2.04 -1.17 -0.95 117.51 121.72 3n24 h ILE 69 Ca -0.01 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3n24 h ILE 69 Cb 0.70 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3n24 h ILE 69 CO -0.15 0.08 -0.25 -0.07 0.00 0.00 0.00 178.15 177.76 3n24 h LEU 70 N 0.43 0.00 0.00 1.44 3.38 -0.08 -3.15 115.31 117.33 3n24 h LEU 70 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 3n24 h LEU 70 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3n24 h LEU 70 CO -0.54 0.25 -1.03 0.18 0.09 0.00 0.00 178.44 177.39 3n24 n LEU 71 N -3.24 0.77 -4.58 1.67 4.77 -0.01 -4.92 117.00 111.48 3n24 n LEU 71 Ca 0.02 0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 55.92 3n24 n LEU 71 Cb 0.55 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 3n24 n LEU 71 CO 0.35 -0.15 0.41 0.54 -1.33 0.00 0.00 177.39 177.21 3n24 n ARG 72 N -2.56 0.51 0.29 3.23 1.74 -0.68 -4.81 116.66 114.38 3n24 n ARG 72 Ca 0.00 0.22 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 3n24 n ARG 72 Cb 0.53 -2.11 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 3n24 n ARG 72 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3n24 h GLU 73 N -0.16 -0.74 -3.87 5.56 4.39 -1.91 -3.33 114.58 114.51 3n24 h GLU 73 Ca -0.47 0.05 -0.70 0.00 0.34 0.00 0.00 59.36 58.58 3n24 h GLU 73 Cb 1.34 0.17 -0.34 0.00 -0.10 0.00 0.00 28.75 29.82 3n24 h GLU 73 CO 0.46 -0.49 -0.38 0.99 -1.16 0.00 0.00 179.01 178.43 3n24 s THR 74 N -6.05 3.78 0.13 1.13 2.01 -1.26 -5.08 115.64 110.30 3n24 s THR 74 Ca -0.17 -2.62 -0.30 0.00 0.31 0.00 0.00 61.69 58.91 3n24 s THR 74 Cb 0.05 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 3n24 s THR 74 CO 0.63 -0.84 1.12 -2.84 -0.69 0.00 0.00 174.62 172.00 3n24 s PRO 75 N 0.35 4.54 -0.28 4.92 0.02 -1.25 -5.00 135.00 138.30 3n24 s PRO 75 Ca 0.14 1.71 -0.21 0.00 0.02 0.00 0.00 61.00 62.66 3n24 s PRO 75 Cb -0.21 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 30.99 3n24 s PRO 75 CO -0.04 -0.04 0.67 0.34 -0.33 0.00 0.00 177.00 177.60 3n24 s ASP 76 N 0.36 6.59 0.54 2.53 -1.08 -1.26 -4.90 116.67 119.44 3n24 s ASP 76 Ca 0.53 0.64 0.21 0.00 -0.52 0.00 0.00 52.55 53.40 3n24 s ASP 76 Cb -0.29 -2.35 1.45 0.00 -1.46 0.00 0.00 42.92 40.27 3n24 s ASP 76 CO 0.33 -0.46 2.18 1.23 0.52 0.00 0.00 175.17 178.97 3n24 h GLY 77 N 9.10 0.00 0.83 2.66 0.00 -1.97 -1.88 103.07 111.81 3n24 h GLY 77 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3n24 h GLY 77 CO 0.81 0.00 0.03 0.06 0.00 0.00 0.00 176.54 177.44 3n24 h GLN 78 N 0.00 0.22 -0.25 4.80 3.07 -2.00 -0.66 115.11 120.29 3n24 h GLN 78 Ca 0.01 -0.05 -0.14 0.00 0.09 0.00 0.00 58.65 58.55 3n24 h GLN 78 Cb 0.03 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 3n24 h GLN 78 CO -0.00 0.38 -0.40 0.00 0.09 0.00 0.00 178.83 178.90 3n24 h ALA 79 N 0.83 0.39 -0.30 0.06 0.00 -1.90 -2.22 119.26 116.12 3n24 h ALA 79 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3n24 h ALA 79 Cb 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3n24 h ALA 79 CO 0.00 0.49 0.06 1.25 0.00 0.00 0.00 179.25 181.05 3n24 h LEU 80 N 0.44 0.02 -0.81 0.00 5.85 -1.30 -1.47 115.31 118.03 3n24 h LEU 80 Ca 0.02 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3n24 h LEU 80 Cb 0.99 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3n24 h LEU 80 CO 0.09 0.04 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.07 3n24 h GLU 81 N 0.17 0.80 -0.83 1.25 4.22 -1.02 0.52 114.58 119.69 3n24 h GLU 81 Ca 0.14 -0.26 0.06 0.00 0.08 0.00 0.00 59.36 59.38 3n24 h GLU 81 Cb 0.15 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3n24 h GLU 81 CO -0.18 0.86 0.51 -0.09 -2.18 0.00 0.00 179.01 177.93 3n24 h ARG 82 N 0.73 0.90 -0.13 1.92 2.43 -1.07 0.34 114.38 119.50 3n24 h ARG 82 Ca 0.13 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 3n24 h ARG 82 Cb 0.57 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3n24 h ARG 82 CO 0.03 0.59 -0.55 1.03 -1.51 0.00 0.00 179.97 179.57 3n24 h SER 83 N 0.93 0.70 -0.43 -3.80 0.87 -0.47 -1.62 113.55 109.72 3n24 h SER 83 Ca 0.36 -0.63 0.07 0.00 -1.23 0.00 0.00 61.79 60.37 3n24 h SER 83 Cb 0.17 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 61.86 3n24 h SER 83 CO -0.17 1.21 0.05 1.56 -0.53 0.00 0.00 176.83 178.95 3n24 h GLN 84 N 0.24 0.17 -0.83 2.24 4.20 -0.60 -0.50 115.11 120.02 3n24 h GLN 84 Ca -0.03 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3n24 h GLN 84 Cb 1.19 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 3n24 h GLN 84 CO 0.11 0.11 0.54 -0.97 -0.67 0.00 0.00 178.83 177.95 3n24 h ASN 85 N 0.18 0.89 -0.36 1.46 -1.24 -0.18 -1.28 115.58 115.05 3n24 h ASN 85 Ca 0.21 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.26 3n24 h ASN 85 Cb 0.29 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 3n24 h ASN 85 CO -0.31 0.62 0.14 0.44 -1.29 0.00 0.00 177.43 177.03 3n24 h ASP 86 N 1.05 0.16 -0.18 1.15 3.32 -0.72 -0.42 116.42 120.78 3n24 h ASP 86 Ca 0.33 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.44 3n24 h ASP 86 Cb -0.01 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3n24 h ASP 86 CO -0.11 0.13 0.04 0.15 -1.72 0.00 0.00 179.24 177.73 3n24 h PHE 87 N 0.30 0.07 -0.66 4.55 3.57 -0.29 0.21 116.94 124.68 3n24 h PHE 87 Ca 0.16 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.80 3n24 h PHE 87 Cb 0.13 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.78 3n24 h PHE 87 CO -0.14 0.02 0.20 -0.09 -2.23 0.00 0.00 178.31 176.08 3n24 h ARG 88 N 0.11 0.33 -0.20 1.11 2.43 -1.02 0.14 114.38 117.27 3n24 h ARG 88 Ca 0.08 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3n24 h ARG 88 Cb 0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3n24 h ARG 88 CO -0.10 0.22 0.05 0.00 -1.51 0.00 0.00 179.97 178.63 3n24 h ARG 89 N 0.34 0.32 -0.55 0.20 3.08 0.27 -1.02 114.38 117.02 3n24 h ARG 89 Ca 0.35 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 3n24 h ARG 89 Cb 0.52 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3n24 h ARG 89 CO -0.40 0.44 -0.01 0.28 -1.07 0.00 0.00 179.97 179.22 3n24 h VAL 90 N 0.14 1.26 -0.09 2.04 2.07 -0.60 -1.97 116.25 119.10 3n24 h VAL 90 Ca 0.06 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3n24 h VAL 90 Cb 0.26 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3n24 h VAL 90 CO -0.00 0.40 0.02 0.25 0.02 0.00 0.00 177.57 178.25 3n24 h LEU 91 N 0.87 0.15 -0.26 2.57 5.85 -0.53 -1.51 115.31 122.45 3n24 h LEU 91 Ca 0.16 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.43 3n24 h LEU 91 Cb 0.52 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3n24 h LEU 91 CO 0.03 0.36 -0.64 -0.33 -0.34 0.00 0.00 178.44 177.51 3n24 h GLU 92 N -0.07 0.82 -0.41 1.25 4.39 -1.11 0.57 114.58 120.02 3n24 h GLU 92 Ca 0.03 -0.58 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 3n24 h GLU 92 Cb 0.27 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3n24 h GLU 92 CO 0.00 1.20 0.21 -0.56 -1.16 0.00 0.00 179.01 178.70 3n24 h GLN 93 N 0.60 0.57 -0.09 2.33 3.07 -1.43 -0.66 115.11 119.51 3n24 h GLN 93 Ca -0.01 -0.06 0.02 0.00 0.09 0.00 0.00 58.65 58.69 3n24 h GLN 93 Cb 1.25 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.67 3n24 h GLN 93 CO 0.14 0.44 -0.05 0.78 0.09 0.00 0.00 178.83 180.22 3n24 h GLY 94 N 0.67 0.03 2.00 0.06 0.00 -0.19 -2.18 103.07 103.46 3n24 h GLY 94 Ca 0.15 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3n24 h GLY 94 CO -0.02 -0.07 -0.18 3.21 0.00 0.00 0.00 176.54 179.48 3n24 h ARG 95 N -0.05 0.00 -0.08 4.80 3.08 -0.58 -2.55 114.38 118.99 3n24 h ARG 95 Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 3n24 h ARG 95 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3n24 h ARG 95 CO -0.12 0.18 -0.72 0.00 -1.07 0.00 0.00 179.97 178.24 3n24 h ALA 96 N 1.82 0.61 -0.01 0.04 0.00 -0.71 -3.38 119.26 117.64 3n24 h ALA 96 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3n24 h ALA 96 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3n24 h ALA 96 CO 0.02 0.76 -0.11 0.09 0.00 0.00 0.00 179.25 180.02 3n24 n ASN 97 N -3.84 1.18 -4.78 0.00 5.03 -0.86 -5.01 115.26 106.98 3n24 n ASN 97 Ca -0.04 -1.09 -0.39 0.00 0.87 0.00 0.00 54.58 53.93 3n24 n ASN 97 Cb 0.70 0.34 -0.06 0.00 -1.02 0.00 0.00 39.78 39.74 3n24 n ASN 97 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3n24 s THR 98 N -0.96 4.57 -0.24 3.41 2.01 -0.98 -4.98 115.64 118.47 3n24 s THR 98 Ca 0.07 1.53 -0.16 0.00 0.31 0.00 0.00 61.69 63.44 3n24 s THR 98 Cb 0.06 -4.06 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 3n24 s THR 98 CO 0.15 0.49 -0.10 0.52 -0.69 0.00 0.00 174.62 175.00 3n24 n VAL 99 N 1.95 1.54 -1.75 3.82 0.31 -1.26 -4.88 118.33 118.06 3n24 n VAL 99 Ca -0.06 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 3n24 n VAL 99 Cb 0.50 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 3n24 n VAL 99 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3n24 s ASP 100 N -7.18 6.40 0.21 4.52 2.15 -1.26 -4.89 116.67 116.62 3n24 s ASP 100 Ca -0.34 2.84 -0.08 0.00 0.43 0.00 0.00 52.55 55.40 3n24 s ASP 100 Cb 0.11 -2.60 0.15 0.00 -0.30 0.00 0.00 42.92 40.28 3n24 s ASP 100 CO 0.55 -0.96 1.78 -1.28 -0.17 0.00 0.00 175.17 175.09 3n24 h SER 101 N 6.84 1.08 -0.10 -0.34 0.87 -2.00 -1.64 113.55 118.26 3n24 h SER 101 Ca -0.43 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 59.83 3n24 h SER 101 Cb 1.20 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 3n24 h SER 101 CO 0.95 0.95 -0.37 0.00 -0.53 0.00 0.00 176.83 177.84 3n24 h ALA 102 N 1.17 0.86 0.00 6.23 0.00 -2.00 -2.75 119.26 122.76 3n24 h ALA 102 Ca 0.26 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3n24 h ALA 102 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3n24 h ALA 102 CO -0.02 0.64 -0.45 0.93 0.00 0.00 0.00 179.25 180.34 3n24 h GLU 103 N 0.51 0.00 -0.29 0.00 5.08 -1.86 -1.38 114.58 116.65 3n24 h GLU 103 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3n24 h GLU 103 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3n24 h GLU 103 CO 0.07 0.45 0.08 0.37 -1.00 0.00 0.00 179.01 178.99 3n24 h GLN 104 N 0.00 0.45 -0.44 2.33 5.75 -1.07 -0.19 115.11 121.94 3n24 h GLN 104 Ca -0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3n24 h GLN 104 Cb 0.88 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 3n24 h GLN 104 CO 0.06 0.52 0.25 0.00 -2.65 0.00 0.00 178.83 177.00 3n24 h ALA 105 N 0.91 0.56 -0.81 3.38 0.00 -1.27 -1.34 119.26 120.70 3n24 h ALA 105 Ca 0.09 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3n24 h ALA 105 Cb 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3n24 h ALA 105 CO -0.00 0.08 0.53 0.00 0.00 0.00 0.00 179.25 179.86 3n24 h ALA 106 N 1.10 1.56 -0.09 0.00 0.00 -1.01 -1.33 119.26 119.49 3n24 h ALA 106 Ca 0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 3n24 h ALA 106 Cb 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3n24 h ALA 106 CO -0.03 0.34 -0.79 -0.07 0.00 0.00 0.00 179.25 178.71 3n24 h LEU 107 N 0.94 0.64 -0.64 0.00 3.38 -0.47 -1.98 115.31 117.18 3n24 h LEU 107 Ca 0.34 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3n24 h LEU 107 Cb 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3n24 h LEU 107 CO -0.11 1.21 0.36 0.44 0.09 0.00 0.00 178.44 180.42 3n24 h ASP 108 N 0.35 0.53 -0.77 -0.43 3.32 -0.87 -0.90 116.42 117.66 3n24 h ASP 108 Ca -0.05 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.04 3n24 h ASP 108 Cb 1.39 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.82 3n24 h ASP 108 CO 0.14 0.35 0.50 1.23 -1.72 0.00 0.00 179.24 179.74 3n24 h GLY 109 N 0.66 1.08 1.01 2.75 0.00 -0.99 -1.70 103.07 105.88 3n24 h GLY 109 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3n24 h GLY 109 CO -0.18 0.41 0.53 -2.08 0.00 0.00 0.00 176.54 175.22 3n24 h VAL 110 N 1.04 1.22 -0.07 4.60 2.07 -0.83 -1.55 116.25 122.73 3n24 h VAL 110 Ca 0.28 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3n24 h VAL 110 Cb -0.10 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.68 3n24 h VAL 110 CO -0.06 0.22 0.04 -0.09 0.02 0.00 0.00 177.57 177.70 3n24 h ARG 111 N 1.14 0.11 -0.32 1.57 1.12 -0.67 0.28 114.38 117.60 3n24 h ARG 111 Ca 0.30 -0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.20 3n24 h ARG 111 Cb -0.09 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 29.81 3n24 h ARG 111 CO -0.06 0.18 0.08 -0.44 -3.11 0.00 0.00 179.97 176.62 3n24 h ASP 112 N 0.00 0.06 -0.32 -3.80 3.32 -1.27 -1.56 116.42 112.85 3n24 h ASP 112 Ca 0.03 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3n24 h ASP 112 Cb 0.11 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3n24 h ASP 112 CO -0.00 0.07 0.12 0.00 -1.72 0.00 0.00 179.24 177.70 3n24 h ALA 113 N 1.23 1.49 -0.33 3.45 0.00 -0.95 -2.32 119.26 121.83 3n24 h ALA 113 Ca 0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3n24 h ALA 113 Cb 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n24 h ALA 113 CO -0.18 0.38 -0.44 -0.92 0.00 0.00 0.00 179.25 178.09 3n24 h TYR 114 N 0.55 1.04 -0.47 0.00 3.20 0.20 -0.22 116.97 121.27 3n24 h TYR 114 Ca 0.13 -0.33 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 3n24 h TYR 114 Cb 0.17 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3n24 h TYR 114 CO 0.01 1.14 0.28 -0.07 -1.64 0.00 0.00 178.16 177.87 3n24 h LEU 115 N 0.68 0.57 -0.77 2.82 3.38 -1.12 -0.54 115.31 120.32 3n24 h LEU 115 Ca 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3n24 h LEU 115 Cb 1.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3n24 h LEU 115 CO 0.10 0.46 0.28 -0.61 0.09 0.00 0.00 178.44 178.76 3n24 h GLN 116 N 0.62 1.18 -0.06 1.13 4.15 -1.20 -0.06 115.11 120.87 3n24 h GLN 116 Ca 0.17 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.37 3n24 h GLN 116 Cb 0.01 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 3n24 h GLN 116 CO -0.03 0.98 -0.04 1.25 -1.93 0.00 0.00 178.83 179.06 3n24 h LEU 117 N 1.14 -0.12 -1.20 -2.39 5.85 -0.40 -2.69 115.31 115.49 3n24 h LEU 117 Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3n24 h LEU 117 Cb 0.26 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3n24 h LEU 117 CO -0.01 -0.05 0.49 1.56 -0.34 0.00 0.00 178.44 180.09 3n24 h GLN 118 N -0.04 1.03 0.00 1.25 4.20 -0.50 -1.47 115.11 119.58 3n24 h GLN 118 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3n24 h GLN 118 Cb 0.10 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3n24 h GLN 118 CO -0.09 0.70 0.00 0.00 -0.67 0.00 0.00 178.83 178.77 3n24 h ALA 119 N 1.49 1.00 -0.18 3.87 0.00 -0.74 -2.72 119.26 121.98 3n24 h ALA 119 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3n24 h ALA 119 Cb -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3n24 h ALA 119 CO -0.06 0.00 -0.14 0.72 0.00 0.00 0.00 179.25 179.77 3n24 n HIS 120 N -2.69 0.59 -3.26 0.00 8.25 -0.58 -4.98 115.22 112.55 3n24 n HIS 120 Ca -0.00 -1.31 -0.42 0.00 -0.26 0.00 0.00 57.72 55.73 3n24 n HIS 120 Cb 0.18 -0.33 -0.08 0.00 1.12 0.00 0.00 29.99 30.88 3n24 n HIS 120 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3n24 s THR 121 N -3.09 5.03 0.09 1.59 2.01 -1.03 -5.04 115.64 115.20 3n24 s THR 121 Ca 0.40 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 3n24 s THR 121 Cb 0.36 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.91 3n24 s THR 121 CO 0.01 -0.26 0.12 -0.81 -0.69 0.00 0.00 174.62 172.99 3n24 n PRO 122 N 5.72 0.29 0.00 4.92 -0.05 -1.26 -5.06 135.00 139.56 3n24 n PRO 122 Ca -0.05 -0.27 0.00 0.00 -0.05 0.00 0.00 63.50 63.12 3n24 n PRO 122 Cb 0.49 -0.10 0.00 0.00 -0.05 0.00 0.00 33.50 33.83 3n24 n PRO 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3n24 n ALA 123 N -3.03 0.00 -1.95 0.55 0.00 -1.26 -5.15 120.51 109.67 3n24 n ALA 123 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3n24 n ALA 123 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3n24 n ALA 123 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3n24 n ASP 133 N 0.00 0.00 -0.05 0.00 9.92 -1.26 -5.29 116.55 119.87 3n24 n ASP 133 Ca 0.00 -1.09 -0.19 0.00 -0.53 0.00 0.00 54.79 52.98 3n24 n ASP 133 Cb 0.00 -0.02 -0.13 0.00 -0.64 0.00 0.00 41.12 40.33 3n24 n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3n24 n GLY 134 N 0.00 -0.51 0.34 0.44 0.00 -1.26 -3.56 105.19 100.64 3n24 n GLY 134 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 3n24 n GLY 134 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3n24 h PHE 135 N 0.04 1.17 -0.44 1.61 3.57 -2.02 -3.03 116.94 117.84 3n24 h PHE 135 Ca -0.48 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.05 3n24 h PHE 135 Cb 1.99 -0.36 -0.07 0.00 2.79 0.00 0.00 35.95 40.29 3n24 h PHE 135 CO 0.05 0.84 0.02 0.77 -2.23 0.00 0.00 178.31 177.76 3n24 h SER 136 N 1.16 -0.15 -0.18 0.41 0.02 -1.99 0.21 113.55 113.04 3n24 h SER 136 Ca 0.28 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 3n24 h SER 136 Cb 0.10 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3n24 h SER 136 CO -0.04 -0.04 -0.00 -0.33 -1.14 0.00 0.00 176.83 175.28 3n24 h GLU 137 N 0.13 0.31 -0.60 3.45 4.39 -1.60 0.13 114.58 120.79 3n24 h GLU 137 Ca 0.22 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.89 3n24 h GLU 137 Cb 0.31 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 3n24 h GLU 137 CO -0.35 0.53 0.27 0.00 -1.16 0.00 0.00 179.01 178.30 3n24 h ALA 138 N 0.78 0.79 0.48 3.43 0.00 -1.38 0.15 119.26 123.50 3n24 h ALA 138 Ca 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3n24 h ALA 138 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3n24 h ALA 138 CO 0.01 -0.11 -0.34 0.35 0.00 0.00 0.00 179.25 179.16 3n24 h PHE 139 N 0.50 -0.90 -0.69 0.00 3.57 -0.81 -0.13 116.94 118.48 3n24 h PHE 139 Ca 0.29 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.93 3n24 h PHE 139 Cb 0.28 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.25 3n24 h PHE 139 CO -0.13 -0.50 0.14 -0.91 -2.23 0.00 0.00 178.31 174.68 3n24 h ASN 140 N -0.79 -0.04 -0.63 0.41 2.35 -0.38 0.26 115.58 116.76 3n24 h ASN 140 Ca -0.05 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3n24 h ASN 140 Cb 0.67 0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 3n24 h ASN 140 CO 0.02 -0.04 0.42 1.23 -1.65 0.00 0.00 177.43 177.41 3n24 h GLY 141 N 0.24 0.88 0.88 2.83 0.00 -0.55 -2.30 103.07 105.06 3n24 h GLY 141 Ca 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3n24 h GLY 141 CO -0.49 0.32 0.07 -2.00 0.00 0.00 0.00 176.54 174.45 3n24 h LEU 142 N 0.85 0.26 -0.67 3.11 6.46 0.43 -1.64 115.31 124.12 3n24 h LEU 142 Ca 0.23 -0.17 -0.12 0.00 -0.12 0.00 0.00 57.88 57.70 3n24 h LEU 142 Cb -0.10 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 3n24 h LEU 142 CO -0.05 0.36 -0.22 0.08 -0.62 0.00 0.00 178.44 177.98 3n24 h ARG 143 N 0.14 0.80 -0.95 1.25 0.11 -0.90 0.62 114.38 115.46 3n24 h ARG 143 Ca 0.06 -0.32 0.01 0.00 0.10 0.00 0.00 59.98 59.83 3n24 h ARG 143 Cb 0.18 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 31.18 3n24 h ARG 143 CO -0.00 0.95 0.63 -0.07 0.10 0.00 0.00 179.97 181.57 3n24 h LEU 144 N 0.69 1.09 -0.49 0.08 3.38 -1.29 0.32 115.31 119.09 3n24 h LEU 144 Ca 0.10 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3n24 h LEU 144 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3n24 h LEU 144 CO 0.06 0.80 -0.45 0.03 0.09 0.00 0.00 178.44 178.96 3n24 h ARG 145 N 1.29 0.74 -0.20 1.13 2.47 -0.79 -1.19 114.38 117.83 3n24 h ARG 145 Ca 0.35 -0.41 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 3n24 h ARG 145 Cb -0.15 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.19 3n24 h ARG 145 CO -0.07 1.03 -0.29 -0.07 0.56 0.00 0.00 179.97 181.13 3n24 h LEU 146 N 0.59 0.39 -0.09 3.04 3.38 -0.37 -1.35 115.31 120.90 3n24 h LEU 146 Ca 0.04 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3n24 h LEU 146 Cb 1.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3n24 h LEU 146 CO 0.10 0.67 -0.04 -0.61 0.09 0.00 0.00 178.44 178.65 3n24 h GLN 147 N 0.34 -0.03 -0.98 1.13 5.75 -0.07 -0.56 115.11 120.69 3n24 h GLN 147 Ca 0.05 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3n24 h GLN 147 Cb 0.68 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 3n24 h GLN 147 CO 0.05 -0.02 0.65 -0.44 -2.65 0.00 0.00 178.83 176.42 3n24 h ASP 148 N -0.03 1.09 -0.00 -0.69 3.32 -0.74 -0.92 116.42 118.45 3n24 h ASP 148 Ca 0.05 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3n24 h ASP 148 Cb 0.10 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3n24 h ASP 148 CO -0.11 0.76 0.00 0.25 -1.72 0.00 0.00 179.24 178.42 3n24 h LEU 149 N 1.27 0.00 -0.50 1.55 5.85 -0.90 -1.23 115.31 121.35 3n24 h LEU 149 Ca 0.38 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3n24 h LEU 149 Cb -0.05 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3n24 h LEU 149 CO -0.11 0.10 0.20 -0.61 -0.34 0.00 0.00 178.44 177.68 3n24 h GLN 150 N -0.09 0.75 -0.32 1.25 4.15 -0.57 -0.77 115.11 119.51 3n24 h GLN 150 Ca 0.00 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.20 3n24 h GLN 150 Cb 0.10 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3n24 h GLN 150 CO -0.00 0.66 -0.19 1.96 -1.93 0.00 0.00 178.83 179.33 3n24 h GLN 151 N 0.67 0.59 -0.03 1.69 1.08 -1.13 -0.85 115.11 117.13 3n24 h GLN 151 Ca 0.17 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3n24 h GLN 151 Cb 0.19 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3n24 h GLN 151 CO -0.01 0.75 0.01 1.25 -0.95 0.00 0.00 178.83 179.88 3n24 h LEU 152 N 0.53 0.04 -0.80 1.46 5.85 -0.74 -0.64 115.31 121.01 3n24 h LEU 152 Ca 0.09 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3n24 h LEU 152 Cb 0.62 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3n24 h LEU 152 CO 0.04 0.14 0.17 0.00 -0.34 0.00 0.00 178.44 178.45 3n24 h ALA 153 N 0.90 1.02 -0.70 1.25 0.00 -0.87 -2.47 119.26 118.40 3n24 h ALA 153 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3n24 h ALA 153 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3n24 h ALA 153 CO -0.00 0.64 0.28 -0.07 0.00 0.00 0.00 179.25 180.10 3n24 h LEU 154 N 1.02 0.97 -0.42 0.00 3.38 -1.11 -2.43 115.31 116.71 3n24 h LEU 154 Ca 0.22 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3n24 h LEU 154 Cb 0.35 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3n24 h LEU 154 CO 0.00 0.88 0.15 0.00 0.09 0.00 0.00 178.44 179.55 3n24 h ALA 155 N 1.13 0.50 -0.66 1.53 0.00 -0.81 -1.88 119.26 119.06 3n24 h ALA 155 Ca 0.23 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3n24 h ALA 155 Cb 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3n24 h ALA 155 CO -0.02 -0.24 0.31 0.78 0.00 0.00 0.00 179.25 180.07 3n24 h GLY 156 N 0.31 0.97 0.82 0.00 0.00 -1.13 0.40 103.07 104.44 3n24 h GLY 156 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3n24 h GLY 156 CO -0.21 0.04 -0.32 -2.22 0.00 0.00 0.00 176.54 173.83 3n24 h ILE 157 N 0.53 0.34 -0.73 2.60 1.08 -0.90 0.36 117.51 120.80 3n24 h ILE 157 Ca 0.33 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.91 3n24 h ILE 157 Cb 0.35 0.34 -0.08 0.00 -3.07 0.00 0.00 36.82 34.36 3n24 h ILE 157 CO -0.27 0.00 0.34 0.77 -0.69 0.00 0.00 178.15 178.30 3n24 h SER 158 N -0.78 0.40 0.77 1.72 4.64 -1.04 -1.88 113.55 117.38 3n24 h SER 158 Ca -0.05 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3n24 h SER 158 Cb 0.64 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3n24 h SER 158 CO 0.04 0.20 -0.47 -0.08 -0.87 0.00 0.00 176.83 175.65 3n24 h GLU 159 N 0.54 -1.12 -0.98 4.77 4.57 -0.56 -3.03 114.58 118.77 3n24 h GLU 159 Ca 0.38 0.08 0.21 0.00 -1.18 0.00 0.00 59.36 58.84 3n24 h GLU 159 Cb 0.48 0.26 -0.09 0.00 -0.16 0.00 0.00 28.75 29.23 3n24 h GLU 159 CO -0.32 -0.75 0.62 0.00 -1.18 0.00 0.00 179.01 177.38 3n24 h ALA 160 N -1.06 1.92 -0.02 2.92 0.00 -0.38 -3.51 119.26 119.13 3n24 h ALA 160 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3n24 h ALA 160 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3n24 h ALA 160 CO 0.10 -0.28 0.00 -0.85 0.00 0.00 0.00 179.25 178.22