#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksi n SER 2 N 0.00 0.35 -4.70 7.83 3.41 -1.26 -4.90 113.62 114.35 2ksi n SER 2 Ca 0.00 0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 59.00 2ksi n SER 2 Cb 0.00 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 62.59 2ksi n SER 2 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ksi s LEU 3 N -1.12 4.34 0.22 1.04 1.43 -1.26 -4.93 118.68 118.40 2ksi s LEU 3 Ca 0.72 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.68 2ksi s LEU 3 Cb -0.44 -3.57 0.30 0.00 0.03 0.00 0.00 46.19 42.50 2ksi s LEU 3 CO 0.50 -0.52 1.64 0.07 0.23 0.00 0.00 176.35 178.27 2ksi h LYS 4 N 7.04 0.05 -1.41 1.70 2.10 -2.00 0.32 116.57 124.38 2ksi h LYS 4 Ca -0.39 -0.00 0.42 0.00 -2.00 0.00 0.00 60.65 58.67 2ksi h LYS 4 Cb 1.20 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 32.44 2ksi h LYS 4 CO 0.83 0.03 0.98 0.77 -2.00 0.00 0.00 179.45 180.07 2ksi h SER 5 N 0.05 0.12 -0.43 7.07 0.02 -1.91 0.33 113.55 118.79 2ksi h SER 5 Ca 0.33 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.40 2ksi h SER 5 Cb 0.54 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 2ksi h SER 5 CO -0.62 -0.03 0.08 -0.78 -1.14 0.00 0.00 176.83 174.33 2ksi h ASP 6 N 0.07 -0.01 -0.98 3.07 1.82 -0.73 -1.21 116.42 118.46 2ksi h ASP 6 Ca 0.73 0.08 0.11 0.00 -0.39 0.00 0.00 57.03 57.56 2ksi h ASP 6 Cb 2.64 0.11 -0.08 0.00 0.68 0.00 0.00 39.33 42.68 2ksi h ASP 6 CO -0.15 0.03 0.62 -0.08 -1.61 0.00 0.00 179.24 178.05 2ksi h GLU 7 N 0.21 0.95 0.58 0.28 4.81 -0.46 -2.52 114.58 118.43 2ksi h GLU 7 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2ksi h GLU 7 Cb 0.27 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2ksi h GLU 7 CO -0.28 0.63 -0.36 0.28 -0.73 0.00 0.00 179.01 178.55 2ksi h VAL 8 N 0.98 0.27 -0.92 0.32 2.07 -1.25 -2.17 116.25 115.55 2ksi h VAL 8 Ca 0.47 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.21 2ksi h VAL 8 Cb 0.45 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 2ksi h VAL 8 CO -0.23 0.00 0.46 -0.26 0.02 0.00 0.00 177.57 177.56 2ksi h PHE 9 N -0.89 0.78 -0.22 1.57 0.04 -1.10 0.12 116.94 117.23 2ksi h PHE 9 Ca -0.07 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2ksi h PHE 9 Cb 0.73 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2ksi h PHE 9 CO -0.10 0.02 0.13 0.00 -0.60 0.00 0.00 178.31 177.76 2ksi h ALA 10 N 1.69 0.27 -0.35 2.45 0.00 -1.10 -2.40 119.26 119.83 2ksi h ALA 10 Ca 0.57 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.54 2ksi h ALA 10 Cb 1.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2ksi h ALA 10 CO -0.49 -0.27 -0.02 0.87 0.00 0.00 0.00 179.25 179.34 2ksi h LYS 11 N 0.27 0.07 -0.77 0.00 1.79 -0.36 0.13 116.57 117.70 2ksi h LYS 11 Ca 0.09 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.65 2ksi h LYS 11 Cb -0.01 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.55 2ksi h LYS 11 CO -0.04 0.05 0.42 0.82 -1.08 0.00 0.00 179.45 179.61 2ksi h ILE 12 N 0.07 0.88 0.23 1.86 2.04 -1.18 0.54 117.51 121.96 2ksi h ILE 12 Ca 0.17 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2ksi h ILE 12 Cb 0.24 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2ksi h ILE 12 CO -0.30 0.13 -0.11 0.00 0.00 0.00 0.00 178.15 177.86 2ksi h ALA 13 N 1.44 -0.31 -0.63 1.87 0.00 -0.81 -2.66 119.26 118.17 2ksi h ALA 13 Ca 0.38 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.24 2ksi h ALA 13 Cb 0.37 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2ksi h ALA 13 CO -0.26 -0.49 0.43 -0.22 0.00 0.00 0.00 179.25 178.71 2ksi h LYS 14 N -0.68 0.22 -0.21 0.00 3.64 -0.47 0.60 116.57 119.67 2ksi h LYS 14 Ca -0.03 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 2ksi h LYS 14 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2ksi h LYS 14 CO 0.05 0.15 -0.41 -0.09 -2.27 0.00 0.00 179.45 176.87 2ksi h ARG 15 N 0.23 0.48 -0.34 1.90 9.65 -0.78 -2.93 114.38 122.60 2ksi h ARG 15 Ca 0.30 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2ksi h ARG 15 Cb 0.87 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.44 2ksi h ARG 15 CO -0.06 0.81 0.18 -0.07 2.80 0.00 0.00 179.97 183.64 2ksi h LEU 16 N 0.40 0.40 -1.77 3.80 3.38 -0.52 -0.43 115.31 120.57 2ksi h LEU 16 Ca 0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ksi h LEU 16 Cb 0.89 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2ksi h LEU 16 CO 0.08 0.33 0.00 -0.33 0.09 0.00 0.00 178.44 178.60 2ksi h GLU 17 N 0.46 0.00 0.06 1.13 5.08 -1.40 -2.32 114.58 117.59 2ksi h GLU 17 Ca 0.12 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.26 2ksi h GLU 17 Cb 0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.28 2ksi h GLU 17 CO -0.02 0.00 -0.91 0.77 -1.00 0.00 0.00 179.01 177.85 2ksi h SER 18 N 0.00 0.70 -0.74 1.42 0.02 -1.18 -3.44 113.55 110.33 2ksi h SER 18 Ca 0.00 -0.80 -0.59 0.00 -0.84 0.00 0.00 61.79 59.56 2ksi h SER 18 Cb 0.15 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2ksi h SER 18 CO 0.00 1.42 1.56 -0.38 -1.14 0.00 0.00 176.83 178.29 2ksi n ILE 19 N -4.01 0.05 -2.03 3.27 5.41 -0.88 -4.87 119.36 116.29 2ksi n ILE 19 Ca -0.12 -0.27 -0.38 0.00 1.00 0.00 0.00 62.75 62.98 2ksi n ILE 19 Cb 0.83 -1.41 0.01 0.00 -0.71 0.00 0.00 39.64 38.35 2ksi n ILE 19 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2ksi s ASP 20 N 8.73 5.84 0.54 4.38 1.11 -1.25 -4.92 116.67 131.10 2ksi s ASP 20 Ca 1.16 2.55 0.33 0.00 0.18 0.00 0.00 52.55 56.77 2ksi s ASP 20 Cb -0.91 -2.62 1.36 0.00 1.07 0.00 0.00 42.92 41.82 2ksi s ASP 20 CO 0.46 -1.16 1.98 1.55 1.18 0.00 0.00 175.17 179.18 2ksi h PRO 21 N 1.93 0.00 -0.16 8.23 0.13 -1.97 -2.40 132.00 137.76 2ksi h PRO 21 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ksi h PRO 21 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2ksi h PRO 21 CO 0.59 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2ksi n ALA 22 N -2.12 2.52 -3.15 -0.56 0.00 -1.26 -4.67 120.51 111.27 2ksi n ALA 22 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 53.44 53.04 2ksi n ALA 22 Cb 0.31 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 2ksi n ALA 22 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ksi s ASN 23 N -1.46 -1.13 0.03 0.00 2.47 -0.90 -5.17 114.94 108.77 2ksi s ASN 23 Ca 0.29 0.39 0.00 0.00 0.42 0.00 0.00 52.86 53.96 2ksi s ASN 23 Cb 0.15 1.82 0.00 0.00 -1.45 0.00 0.00 41.25 41.77 2ksi s ASN 23 CO 0.23 -0.21 0.00 0.54 -3.72 0.00 0.00 177.10 173.94 2ksi n ARG 24 N 5.38 1.30 -3.01 0.43 5.12 -1.26 -3.96 116.66 120.66 2ksi n ARG 24 Ca 0.02 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.85 2ksi n ARG 24 Cb 0.54 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.82 2ksi n ARG 24 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2ksi s GLN 25 N -1.19 0.96 -0.24 5.56 -1.52 -1.26 -5.05 119.66 116.92 2ksi s GLN 25 Ca 0.00 -1.10 -0.06 0.00 -1.95 0.00 0.00 55.36 52.25 2ksi s GLN 25 Cb 0.00 -0.34 0.02 0.00 -0.22 0.00 0.00 33.01 32.48 2ksi s GLN 25 CO 0.00 -1.30 0.13 0.28 -0.25 0.00 0.00 175.29 174.15 2ksi n VAL 26 N 3.30-12.35 -2.85 1.09 0.31 -1.26 -4.93 118.33 101.64 2ksi n VAL 26 Ca 0.18 2.31 -0.41 0.00 -0.01 0.00 0.00 64.34 66.41 2ksi n VAL 26 Cb 0.54 -6.70 -0.04 0.00 -0.91 0.00 0.00 33.84 26.73 2ksi n VAL 26 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2ksi s GLU 27 N -1.13 4.39 0.15 5.55 2.02 -1.26 -5.00 118.70 123.42 2ksi s GLU 27 Ca -0.15 1.13 -0.23 0.00 0.02 0.00 0.00 54.97 55.74 2ksi s GLU 27 Cb 0.01 -3.52 0.08 0.00 0.10 0.00 0.00 34.13 30.80 2ksi s GLU 27 CO 0.78 -0.20 1.08 -3.38 0.02 0.00 0.00 175.26 173.56 2ksi s HIS 28 N 1.67 0.07 -0.02 1.61 -3.43 -1.26 -5.17 115.29 108.76 2ksi s HIS 28 Ca 0.42 -0.42 0.05 0.00 -0.80 0.00 0.00 55.06 54.31 2ksi s HIS 28 Cb -0.18 0.68 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 2ksi s HIS 28 CO 0.17 -0.81 -0.18 0.08 -2.00 0.00 0.00 174.74 172.00 2ksi s VAL 29 N -2.12 1.42 0.04 -5.38 1.01 -1.26 -4.82 120.40 109.28 2ksi s VAL 29 Ca 0.23 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2ksi s VAL 29 Cb -0.02 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2ksi s VAL 29 CO 0.04 0.40 -0.07 -0.72 0.00 0.00 0.00 175.10 174.75 2ksi s TYR 30 N -0.27 0.62 0.06 5.22 1.13 -1.26 -1.82 117.35 121.02 2ksi s TYR 30 Ca 0.04 -0.46 0.03 0.00 -1.41 0.00 0.00 57.07 55.26 2ksi s TYR 30 Cb -0.08 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.36 2ksi s TYR 30 CO 0.00 -0.08 0.07 0.21 -2.51 0.00 0.00 175.55 173.24 2ksi s LYS 31 N -1.43 2.88 0.08 -3.49 2.20 -0.97 -3.23 119.74 115.79 2ksi s LYS 31 Ca -0.09 -0.66 0.10 0.00 -0.36 0.00 0.00 55.97 54.95 2ksi s LYS 31 Cb -0.09 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.46 2ksi s LYS 31 CO 0.00 0.58 -0.27 -0.06 -0.36 0.00 0.00 175.35 175.25 2ksi s PHE 32 N -1.33 2.30 -0.08 4.03 0.40 0.11 -0.94 117.98 122.47 2ksi s PHE 32 Ca 0.27 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 2ksi s PHE 32 Cb -0.12 -1.33 0.02 0.00 0.51 0.00 0.00 43.02 42.10 2ksi s PHE 32 CO 0.20 0.21 -0.12 1.03 0.70 0.00 0.00 175.22 177.24 2ksi s ARG 33 N -1.56 1.71 -0.41 0.44 0.52 -0.56 -0.19 118.95 118.91 2ksi s ARG 33 Ca 0.12 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.94 2ksi s ARG 33 Cb -0.10 -1.48 0.11 0.00 0.52 0.00 0.00 34.95 34.01 2ksi s ARG 33 CO 0.04 -0.04 0.17 0.42 0.02 0.00 0.00 175.30 175.91 2ksi s ILE 34 N 0.88 2.90 0.18 1.52 -1.09 -1.09 -0.90 121.20 123.61 2ksi s ILE 34 Ca -0.10 -2.33 -0.27 0.00 -2.23 0.00 0.00 60.65 55.72 2ksi s ILE 34 Cb -0.15 -3.03 -0.08 0.00 -1.58 0.00 0.00 42.46 37.62 2ksi s ILE 34 CO 0.01 -0.68 0.83 0.42 -1.23 0.00 0.00 174.94 174.28 2ksi s THR 35 N 0.85 4.29 -0.27 2.92 -4.23 -1.25 -1.34 115.64 116.60 2ksi s THR 35 Ca 0.11 1.82 -0.00 0.00 -1.18 0.00 0.00 61.69 62.43 2ksi s THR 35 Cb -0.21 -4.20 0.15 0.00 1.34 0.00 0.00 72.50 69.57 2ksi s THR 35 CO -0.05 0.51 0.38 -1.10 -0.54 0.00 0.00 174.62 173.82 2ksi s GLN 36 N -1.13 0.37 0.00 3.99 -0.21 -0.28 -3.88 119.66 118.53 2ksi s GLN 36 Ca 0.37 0.29 0.00 0.00 0.02 0.00 0.00 55.36 56.05 2ksi s GLN 36 Cb -0.24 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.35 2ksi s GLN 36 CO 0.28 -0.85 0.00 0.41 -2.12 0.00 0.00 175.29 173.01 2ksi n GLY 37 N 5.35 1.13 0.00 3.09 0.00 -1.26 -4.35 105.19 109.15 2ksi n GLY 37 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2ksi n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksi n GLY 38 N -1.55 1.50 3.12 -0.02 0.00 -1.26 -5.06 105.19 101.92 2ksi n GLY 38 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2ksi n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksi s LYS 39 N -0.75 0.72 0.16 1.61 2.20 -1.26 -5.12 119.74 117.30 2ksi s LYS 39 Ca 0.00 -1.29 -0.33 0.00 -0.36 0.00 0.00 55.97 53.99 2ksi s LYS 39 Cb 0.00 0.12 -0.12 0.00 -1.51 0.00 0.00 37.83 36.32 2ksi s LYS 39 CO 0.00 -0.12 1.71 1.55 -0.36 0.00 0.00 175.35 178.13 2ksi n VAL 40 N 0.03 0.12 -0.03 4.02 3.14 -1.26 -1.12 118.33 123.23 2ksi n VAL 40 Ca -0.12 -0.02 -0.05 0.00 -2.96 0.00 0.00 64.34 61.19 2ksi n VAL 40 Cb 0.61 -1.87 -0.13 0.00 -1.06 0.00 0.00 33.84 31.40 2ksi n VAL 40 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2ksi n VAL 41 N 4.03 1.27 -3.61 1.55 3.14 -0.45 -4.81 118.33 119.45 2ksi n VAL 41 Ca 0.17 -0.76 -0.05 0.00 -2.96 0.00 0.00 64.34 60.74 2ksi n VAL 41 Cb 0.33 -0.66 -0.04 0.00 -1.06 0.00 0.00 33.84 32.41 2ksi n VAL 41 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2ksi s LYS 42 N -2.73 0.26 0.29 1.45 2.20 -1.22 -5.05 119.74 114.94 2ksi s LYS 42 Ca -0.06 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2ksi s LYS 42 Cb 0.08 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2ksi s LYS 42 CO 0.83 -0.09 0.49 0.54 -0.36 0.00 0.00 175.35 176.75 2ksi s ASN 43 N -1.42 6.33 0.03 1.43 2.20 -1.26 -2.66 114.94 119.58 2ksi s ASN 43 Ca 0.07 0.41 0.03 0.00 -0.94 0.00 0.00 52.86 52.43 2ksi s ASN 43 Cb -0.01 -2.01 -0.02 0.00 -2.00 0.00 0.00 41.25 37.21 2ksi s ASN 43 CO -0.05 -0.19 -0.10 0.26 -2.94 0.00 0.00 177.10 174.08 2ksi s TRP 44 N -2.14 0.83 -0.02 1.54 0.51 0.74 -2.76 118.94 117.64 2ksi s TRP 44 Ca 0.39 -0.33 0.04 0.00 -2.12 0.00 0.00 56.10 54.09 2ksi s TRP 44 Cb -0.10 -0.50 -0.01 0.00 -0.81 0.00 0.00 33.47 32.05 2ksi s TRP 44 CO 0.33 -0.02 -0.14 0.08 -0.51 0.00 0.00 176.95 176.70 2ksi s VAL 45 N -0.81 1.10 -0.56 4.03 1.01 0.94 0.04 120.40 126.16 2ksi s VAL 45 Ca -0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 2ksi s VAL 45 Cb -0.07 -0.93 0.13 0.00 0.00 0.00 0.00 36.38 35.51 2ksi s VAL 45 CO 0.01 0.32 0.52 -0.04 0.00 0.00 0.00 175.10 175.91 2ksi s MET 46 N -0.16 3.02 -0.87 2.72 -1.94 -1.20 -1.94 119.30 118.93 2ksi s MET 46 Ca 0.02 -1.72 -0.24 0.00 -1.71 0.00 0.00 55.69 52.04 2ksi s MET 46 Cb -0.07 -4.30 0.05 0.00 2.01 0.00 0.00 34.83 32.52 2ksi s MET 46 CO 0.00 -1.34 1.30 0.34 -0.01 0.00 0.00 175.02 175.31 2ksi s ASP 47 N 3.54 6.36 0.00 3.03 2.15 0.45 -4.62 116.67 127.58 2ksi s ASP 47 Ca 0.04 -1.12 0.30 0.00 0.43 0.00 0.00 52.55 52.20 2ksi s ASP 47 Cb -0.29 -2.53 1.38 0.00 -0.30 0.00 0.00 42.92 41.18 2ksi s ASP 47 CO 0.03 -1.57 1.94 0.18 -0.17 0.00 0.00 175.17 175.58 2ksi n LEU 48 N 8.66 0.46 -0.07 -1.34 4.77 -1.26 -1.07 117.00 127.15 2ksi n LEU 48 Ca 0.17 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 2ksi n LEU 48 Cb 0.49 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2ksi n LEU 48 CO 0.66 0.08 -0.15 0.11 -1.33 0.00 0.00 177.39 176.76 2ksi h LYS 49 N 0.63 0.00 -0.00 3.23 1.57 -1.91 -3.37 116.57 116.71 2ksi h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ksi h LYS 49 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2ksi h LYS 49 CO 0.00 0.48 -0.25 -1.71 -0.57 0.00 0.00 179.45 177.40 2ksi n ASN 50 N -4.61 0.73 -2.12 0.86 2.85 -1.25 -4.95 115.26 106.77 2ksi n ASN 50 Ca -0.13 -0.62 -0.08 0.00 -0.11 0.00 0.00 54.58 53.64 2ksi n ASN 50 Cb 0.36 0.07 0.04 0.00 1.24 0.00 0.00 39.78 41.49 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ksi n VAL 51 N -0.93 -2.72 -3.90 3.44 0.31 -0.88 -5.06 118.33 108.59 2ksi n VAL 51 Ca 0.11 -0.22 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 2ksi n VAL 51 Cb 0.33 -3.62 -0.07 0.00 -0.91 0.00 0.00 33.84 29.57 2ksi n VAL 51 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2ksi s LYS 52 N -4.67 1.10 -0.33 5.55 2.20 -0.23 -4.70 119.74 118.66 2ksi s LYS 52 Ca 0.01 -1.07 0.04 0.00 -0.36 0.00 0.00 55.97 54.59 2ksi s LYS 52 Cb -0.00 0.39 0.10 0.00 -1.51 0.00 0.00 37.83 36.80 2ksi s LYS 52 CO 0.34 -0.40 0.04 -0.51 -0.36 0.00 0.00 175.35 174.45 2ksi s LEU 53 N -2.93 4.49 0.58 5.43 1.02 -1.26 -0.41 118.68 125.60 2ksi s LEU 53 Ca 0.13 -2.06 0.06 0.00 0.02 0.00 0.00 54.13 52.28 2ksi s LEU 53 Cb 0.03 -1.57 0.08 0.00 0.02 0.00 0.00 46.19 44.74 2ksi s LEU 53 CO -0.03 -0.36 0.79 0.68 0.02 0.00 0.00 176.35 177.44 2ksi s VAL 54 N 0.96 2.37 -0.30 -1.59 -7.23 -0.82 -4.92 120.40 108.87 2ksi s VAL 54 Ca 0.09 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2ksi s VAL 54 Cb -0.19 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.27 2ksi s VAL 54 CO -0.09 0.00 0.07 -1.83 -0.31 0.00 0.00 175.10 172.94 2ksi s GLU 55 N -4.73 2.91 0.05 4.82 1.03 -1.26 -0.04 118.70 121.48 2ksi s GLU 55 Ca 0.61 -0.97 -0.28 0.00 0.03 0.00 0.00 54.97 54.36 2ksi s GLU 55 Cb -0.07 -3.34 0.09 0.00 -0.80 0.00 0.00 34.13 30.01 2ksi s GLU 55 CO 0.39 -0.51 0.98 -1.12 -1.33 0.00 0.00 175.26 173.67 2ksi s SER 56 N 1.44 -0.24 -0.20 0.83 0.01 -1.11 -4.85 113.70 109.59 2ksi s SER 56 Ca 0.01 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2ksi s SER 56 Cb -0.18 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.48 2ksi s SER 56 CO 0.02 -0.69 -0.14 1.51 0.41 0.00 0.00 173.24 174.34 2ksi s ASP 57 N -2.71 3.38 0.21 2.44 -4.77 -1.26 -2.96 116.67 111.01 2ksi s ASP 57 Ca 0.09 -0.83 -0.17 0.00 -3.30 0.00 0.00 52.55 48.34 2ksi s ASP 57 Cb -0.01 -1.37 0.02 0.00 -1.09 0.00 0.00 42.92 40.48 2ksi s ASP 57 CO -0.03 -0.09 0.53 -1.81 0.70 0.00 0.00 175.17 174.47 2ksi s ASP 58 N 1.32 -0.22 0.95 2.11 1.11 -1.26 -5.13 116.67 115.54 2ksi s ASP 58 Ca 0.01 -0.59 -0.14 0.00 0.18 0.00 0.00 52.55 52.01 2ksi s ASP 58 Cb -0.15 0.59 -0.01 0.00 1.07 0.00 0.00 42.92 44.43 2ksi s ASP 58 CO -0.10 -1.10 0.16 0.00 1.18 0.00 0.00 175.17 175.31 2ksi n ALA 59 N -0.36 -3.16 -3.64 5.23 0.00 -1.26 -4.77 120.51 112.56 2ksi n ALA 59 Ca -0.08 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 2ksi n ALA 59 Cb 0.62 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 2ksi n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ksi s ALA 60 N -2.29 -1.99 -0.28 0.00 0.00 -1.26 -4.81 121.76 111.13 2ksi s ALA 60 Ca 0.54 1.86 0.23 0.00 0.00 0.00 0.00 51.96 54.59 2ksi s ALA 60 Cb -0.21 -1.45 1.14 0.00 0.00 0.00 0.00 23.12 22.60 2ksi s ALA 60 CO 0.70 -0.23 1.70 0.39 0.00 0.00 0.00 175.76 178.33 2ksi n GLU 61 N 2.14 0.17 -3.69 0.00 4.71 -0.76 -4.49 120.64 118.73 2ksi n GLU 61 Ca -0.12 0.56 -0.13 0.00 -0.01 0.00 0.00 57.16 57.46 2ksi n GLU 61 Cb 0.56 -1.95 -0.13 0.00 -1.01 0.00 0.00 31.44 28.91 2ksi n GLU 61 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ksi s ALA 62 N -3.48 -0.59 -0.21 0.62 0.00 -1.22 -4.47 121.76 112.41 2ksi s ALA 62 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2ksi s ALA 62 Cb 0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2ksi s ALA 62 CO 0.28 -0.46 0.13 0.99 0.00 0.00 0.00 175.76 176.71 2ksi s THR 63 N 1.95 5.38 -0.02 0.00 2.01 0.25 -2.28 115.64 122.93 2ksi s THR 63 Ca -0.03 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.20 2ksi s THR 63 Cb -0.11 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2ksi s THR 63 CO -0.09 0.42 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.34 2ksi s LEU 64 N 0.51 2.00 -0.01 4.42 1.02 -0.12 -0.69 118.68 125.81 2ksi s LEU 64 Ca 0.08 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 53.94 2ksi s LEU 64 Cb -0.12 -0.83 0.01 0.00 0.02 0.00 0.00 46.19 45.27 2ksi s LEU 64 CO -0.01 0.18 -0.01 0.28 0.02 0.00 0.00 176.35 176.82 2ksi s THR 65 N -0.29 0.17 -0.18 5.49 -1.32 -1.20 -1.50 115.64 116.81 2ksi s THR 65 Ca 0.04 -0.02 -0.23 0.00 -1.21 0.00 0.00 61.69 60.28 2ksi s THR 65 Cb -0.07 -0.19 0.06 0.00 -1.51 0.00 0.00 72.50 70.78 2ksi s THR 65 CO -0.00 0.09 0.60 -0.04 -2.21 0.00 0.00 174.62 173.06 2ksi s MET 66 N 0.37 0.78 0.67 7.08 -1.94 -0.08 -4.19 119.30 121.99 2ksi s MET 66 Ca -0.03 0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 54.50 2ksi s MET 66 Cb -0.06 0.37 -0.00 0.00 2.01 0.00 0.00 34.83 37.15 2ksi s MET 66 CO -0.01 -0.14 1.05 -1.21 -0.01 0.00 0.00 175.02 174.70 2ksi s GLU 67 N -0.09 3.10 0.13 2.03 8.01 -1.26 -3.89 118.70 126.73 2ksi s GLU 67 Ca -0.03 0.92 -0.32 0.00 0.01 0.00 0.00 54.97 55.55 2ksi s GLU 67 Cb -0.04 -2.01 -0.09 0.00 -4.31 0.00 0.00 34.13 27.68 2ksi s GLU 67 CO 0.03 -0.97 1.56 0.22 0.01 0.00 0.00 175.26 176.11 2ksi h ASP 68 N -0.58 -1.72 -0.94 -0.19 3.58 -1.92 0.23 116.42 114.89 2ksi h ASP 68 Ca -0.44 0.23 0.16 0.00 0.42 0.00 0.00 57.03 57.40 2ksi h ASP 68 Cb 1.21 0.70 -0.08 0.00 1.72 0.00 0.00 39.33 42.88 2ksi h ASP 68 CO 0.58 -0.42 0.60 -0.78 -2.88 0.00 0.00 179.24 176.34 2ksi h ASP 69 N -0.44 0.68 -0.26 2.28 3.58 -1.93 -1.20 116.42 119.14 2ksi h ASP 69 Ca 0.08 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 2ksi h ASP 69 Cb 0.62 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2ksi h ASP 69 CO -0.54 0.31 0.03 0.40 -2.88 0.00 0.00 179.24 176.56 2ksi h ILE 70 N 0.70 1.24 -0.75 2.25 1.08 -1.19 -2.59 117.51 118.26 2ksi h ILE 70 Ca 0.49 -0.82 0.15 0.00 -0.39 0.00 0.00 64.86 64.28 2ksi h ILE 70 Cb 0.81 1.28 -0.10 0.00 -3.07 0.00 0.00 36.82 35.74 2ksi h ILE 70 CO -0.25 0.26 0.28 -0.03 -0.69 0.00 0.00 178.15 177.72 2ksi h MET 71 N 0.23 0.40 -0.05 2.37 4.05 0.57 0.38 114.93 122.88 2ksi h MET 71 Ca 0.08 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 2ksi h MET 71 Cb 0.36 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2ksi h MET 71 CO 0.01 0.27 -0.32 0.35 0.23 0.00 0.00 176.91 177.44 2ksi h PHE 72 N 0.41 0.11 0.20 1.39 3.57 -1.36 0.48 116.94 121.75 2ksi h PHE 72 Ca 0.42 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 2ksi h PHE 72 Cb 0.64 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2ksi h PHE 72 CO -0.18 0.41 -0.10 0.00 -2.23 0.00 0.00 178.31 176.22 2ksi h ALA 73 N 1.59 -0.27 -0.27 2.41 0.00 -0.26 -3.04 119.26 119.42 2ksi h ALA 73 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2ksi h ALA 73 Cb 0.62 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ksi h ALA 73 CO 0.05 -0.26 -0.00 0.82 0.00 0.00 0.00 179.25 179.85 2ksi h ILE 74 N -1.06 1.26 -1.00 0.00 2.04 -0.47 0.29 117.51 118.58 2ksi h ILE 74 Ca -0.03 -0.93 0.17 0.00 1.00 0.00 0.00 64.86 65.07 2ksi h ILE 74 Cb 0.26 1.33 -0.10 0.00 -0.74 0.00 0.00 36.82 37.57 2ksi h ILE 74 CO 0.05 0.30 0.62 1.23 0.00 0.00 0.00 178.15 180.34 2ksi h GLY 75 N 0.27 1.69 -1.67 5.37 0.00 -0.19 0.33 103.07 108.87 2ksi h GLY 75 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2ksi h GLY 75 CO 0.01 0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.26 2ksi n THR 76 N -4.71 0.56 -1.89 4.70 -2.24 -1.15 -4.54 114.28 105.02 2ksi n THR 76 Ca 0.22 -0.61 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 2ksi n THR 76 Cb 0.51 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2ksi n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ksi n GLY 77 N 1.27 0.85 0.28 3.38 0.00 0.12 -4.85 105.19 106.23 2ksi n GLY 77 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 2ksi n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksi h ALA 78 N 0.55 0.72 -3.40 4.61 0.00 -0.66 -3.45 119.26 117.62 2ksi h ALA 78 Ca -0.40 -0.40 -0.64 0.00 0.00 0.00 0.00 54.91 53.47 2ksi h ALA 78 Cb 1.25 -0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.69 2ksi h ALA 78 CO 0.54 0.67 -0.83 -0.51 0.00 0.00 0.00 179.25 179.11 2ksi s LEU 79 N -8.99 2.39 0.04 0.00 1.43 -1.20 -5.03 118.68 107.31 2ksi s LEU 79 Ca -0.11 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 2ksi s LEU 79 Cb 0.12 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 2ksi s LEU 79 CO 0.86 0.11 1.42 -2.16 0.23 0.00 0.00 176.35 176.82 2ksi s PRO 80 N -2.44 4.29 0.48 1.29 0.04 -1.26 -4.60 135.00 132.80 2ksi s PRO 80 Ca 0.17 2.03 0.19 0.00 0.04 0.00 0.00 61.00 63.42 2ksi s PRO 80 Cb -0.08 -3.49 1.19 0.00 0.04 0.00 0.00 34.50 32.16 2ksi s PRO 80 CO 0.08 -0.55 2.04 0.00 0.04 0.00 0.00 177.00 178.61 2ksi h ALA 81 N 7.61 1.60 0.32 8.56 0.00 -1.97 -0.86 119.26 134.51 2ksi h ALA 81 Ca -0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2ksi h ALA 81 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ksi h ALA 81 CO 0.89 0.18 -0.15 -0.22 0.00 0.00 0.00 179.25 179.95 2ksi h LYS 82 N 0.00 -0.41 -0.63 0.00 3.64 -1.99 -2.90 116.57 114.29 2ksi h LYS 82 Ca -0.00 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2ksi h LYS 82 Cb 0.28 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 2ksi h LYS 82 CO 0.02 -0.11 0.40 1.49 -2.27 0.00 0.00 179.45 178.99 2ksi h GLU 83 N -0.98 0.79 -0.32 1.90 4.57 -1.95 0.28 114.58 118.86 2ksi h GLU 83 Ca -0.04 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2ksi h GLU 83 Cb 0.49 -0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 28.83 2ksi h GLU 83 CO 0.07 0.52 -0.21 0.00 -1.18 0.00 0.00 179.01 178.21 2ksi h ALA 84 N 1.25 -0.00 0.00 2.92 0.00 -1.24 -0.78 119.26 121.40 2ksi h ALA 84 Ca 0.24 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2ksi h ALA 84 Cb -0.05 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ksi h ALA 84 CO -0.07 -0.61 -0.51 0.52 0.00 0.00 0.00 179.25 178.59 2ksi h MET 85 N -0.18 0.00 -0.47 0.00 2.86 -1.28 -3.14 114.93 112.73 2ksi h MET 85 Ca 0.17 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2ksi h MET 85 Cb 0.43 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2ksi h MET 85 CO -0.43 0.51 0.31 0.00 1.06 0.00 0.00 176.91 178.36 2ksi h ALA 86 N 1.49 1.82 -0.33 6.32 0.00 0.99 -0.62 119.26 128.92 2ksi h ALA 86 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2ksi h ALA 86 Cb 1.15 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2ksi h ALA 86 CO 0.07 0.13 0.18 1.04 0.00 0.00 0.00 179.25 180.67 2ksi n GLN 87 N -4.48 1.72 -2.41 0.00 6.02 -0.78 -4.83 117.38 112.62 2ksi n GLN 87 Ca 0.05 -1.14 -0.07 0.00 -0.01 0.00 0.00 57.00 55.84 2ksi n GLN 87 Cb 0.16 -1.53 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 2ksi n GLN 87 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2ksi n ASP 88 N -0.03 -2.59 -0.56 1.08 8.00 -0.24 -4.76 116.55 117.46 2ksi n ASP 88 Ca 0.19 0.32 0.11 0.00 0.71 0.00 0.00 54.79 56.13 2ksi n ASP 88 Cb 0.86 -2.28 0.40 0.00 -0.02 0.00 0.00 41.12 40.07 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ksi n LYS 89 N -2.62 1.74 -3.66 -1.24 5.02 -1.20 -4.87 118.16 111.33 2ksi n LYS 89 Ca -0.08 -1.10 -0.15 0.00 -2.02 0.00 0.00 58.31 54.96 2ksi n LYS 89 Cb 0.55 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 34.06 2ksi n LYS 89 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ksi s MET 90 N -1.83 0.79 -0.30 1.97 -1.94 -1.26 -4.90 119.30 111.83 2ksi s MET 90 Ca 0.34 0.23 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 2ksi s MET 90 Cb 0.18 0.37 0.06 0.00 2.01 0.00 0.00 34.83 37.45 2ksi s MET 90 CO 0.28 -0.20 -0.01 -1.21 -0.01 0.00 0.00 175.02 173.86 2ksi s GLU 91 N -0.81 2.27 -0.03 2.03 0.41 -1.26 -4.86 118.70 116.44 2ksi s GLU 91 Ca -0.09 -1.38 0.05 0.00 -0.41 0.00 0.00 54.97 53.14 2ksi s GLU 91 Cb -0.03 -3.13 -0.01 0.00 -1.78 0.00 0.00 34.13 29.18 2ksi s GLU 91 CO 0.05 -0.66 -0.19 0.54 -0.49 0.00 0.00 175.26 174.51 2ksi s VAL 92 N 1.17 1.55 -0.17 2.63 0.11 -1.26 -3.27 120.40 121.16 2ksi s VAL 92 Ca -0.04 -0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 58.18 2ksi s VAL 92 Cb -0.20 -1.31 0.05 0.00 -1.53 0.00 0.00 36.38 33.39 2ksi s VAL 92 CO -0.03 0.44 0.00 -1.81 -3.33 0.00 0.00 175.10 170.37 2ksi s ASP 93 N -0.23 2.81 0.00 3.54 1.01 0.14 -5.02 116.67 118.92 2ksi s ASP 93 Ca 0.02 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.56 2ksi s ASP 93 Cb -0.10 -0.71 0.00 0.00 1.01 0.00 0.00 42.92 43.12 2ksi s ASP 93 CO 0.01 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2ksi n GLY 94 N 4.98 1.69 3.65 0.21 0.00 -1.26 0.86 105.19 115.32 2ksi n GLY 94 Ca -0.10 -0.96 -0.49 0.00 0.00 0.00 0.00 46.02 44.47 2ksi n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksi n GLN 95 N -0.68 1.99 -0.32 1.61 0.00 -1.26 -4.82 117.38 113.89 2ksi n GLN 95 Ca 0.00 0.70 0.18 0.00 -0.00 0.00 0.00 57.00 57.88 2ksi n GLN 95 Cb 0.00 -2.65 0.36 0.00 0.00 0.00 0.00 30.24 27.95 2ksi n GLN 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2ksi h VAL 96 N 5.78 0.15 -0.05 1.69 2.07 -1.99 0.29 116.25 124.20 2ksi h VAL 96 Ca -0.45 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2ksi h VAL 96 Cb 1.28 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2ksi h VAL 96 CO 0.96 0.02 -0.02 -0.33 0.02 0.00 0.00 177.57 178.22 2ksi h GLU 97 N 0.10 -0.01 -0.43 1.57 5.08 -1.96 0.27 114.58 119.21 2ksi h GLU 97 Ca 0.63 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.08 2ksi h GLU 97 Cb 1.40 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.56 2ksi h GLU 97 CO -0.77 -0.01 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.85 2ksi h LEU 98 N -0.01 -1.04 -1.13 1.33 3.38 -0.79 0.24 115.31 117.29 2ksi h LEU 98 Ca 0.03 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2ksi h LEU 98 Cb 0.05 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2ksi h LEU 98 CO -0.06 -0.31 -0.19 0.16 0.09 0.00 0.00 178.44 178.13 2ksi h ILE 99 N -0.23 0.48 0.00 1.22 3.07 -1.27 -2.59 117.51 118.19 2ksi h ILE 99 Ca 0.19 -1.05 0.00 0.00 1.55 0.00 0.00 64.86 65.55 2ksi h ILE 99 Cb 0.53 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2ksi h ILE 99 CO -0.55 0.19 0.00 0.33 -1.05 0.00 0.00 178.15 177.07 2ksi n PHE 100 N -3.35 0.77 0.07 0.16 7.35 0.93 -2.99 117.46 120.41 2ksi n PHE 100 Ca 0.00 0.26 -0.10 0.00 -0.76 0.00 0.00 57.45 56.85 2ksi n PHE 100 Cb 0.42 -0.92 -0.01 0.00 0.35 0.00 0.00 39.48 39.31 2ksi n PHE 100 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2ksi h LEU 101 N 0.00 0.38 -0.15 -2.13 -0.00 -0.58 -3.09 115.31 109.74 2ksi h LEU 101 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2ksi h LEU 101 Cb 0.54 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 2ksi h LEU 101 CO 0.00 1.09 -0.21 0.18 -0.00 0.00 0.00 178.44 179.50 2ksi n LEU 102 N -3.71 0.44 0.11 1.67 4.32 -1.16 -4.01 117.00 114.66 2ksi n LEU 102 Ca -0.05 0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.89 2ksi n LEU 102 Cb 0.80 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 2ksi n LEU 102 CO 0.49 0.09 0.67 -0.33 -1.22 0.00 0.00 177.39 177.09 2ksi h GLU 103 N 0.36 -0.24 0.00 3.23 5.08 -1.51 -2.08 114.58 119.42 2ksi h GLU 103 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2ksi h GLU 103 Cb 0.44 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ksi h GLU 103 CO 0.00 0.02 0.00 -0.35 -1.00 0.00 0.00 179.01 177.68 2ksi n PRO 104 N -5.09 0.08 0.01 2.33 -0.04 -1.26 -2.06 135.00 128.98 2ksi n PRO 104 Ca -0.09 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2ksi n PRO 104 Cb 0.20 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2ksi n PRO 104 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ksi n PHE 105 N -1.42 0.19 -0.14 0.54 3.01 -1.06 -4.37 117.46 114.22 2ksi n PHE 105 Ca 0.05 0.05 -0.04 0.00 1.01 0.00 0.00 57.45 58.53 2ksi n PHE 105 Cb 0.15 -0.47 0.04 0.00 -0.01 0.00 0.00 39.48 39.19 2ksi n PHE 105 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2ksi h ILE 106 N 0.00 0.71 -0.84 4.37 2.04 -0.79 -0.96 117.51 122.03 2ksi h ILE 106 Ca 0.00 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.88 2ksi h ILE 106 Cb 0.87 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2ksi h ILE 106 CO 0.00 0.03 0.55 0.00 0.00 0.00 0.00 178.15 178.73 2ksi h ALA 107 N 1.36 1.62 -0.56 1.87 0.00 -1.76 -0.68 119.26 121.11 2ksi h ALA 107 Ca 0.22 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.27 2ksi h ALA 107 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ksi h ALA 107 CO -0.32 0.24 0.56 1.03 0.00 0.00 0.00 179.25 180.76 2ksi h SER 108 N 0.89 0.00 -4.06 0.00 0.87 -1.40 -3.41 113.55 106.44 2ksi h SER 108 Ca 0.37 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.47 2ksi h SER 108 Cb 0.29 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.35 2ksi h SER 108 CO -0.14 0.00 0.32 -0.76 -0.53 0.00 0.00 176.83 175.71 2ksi s LEU 109 N -7.47 2.69 0.00 2.23 1.43 -0.26 -5.02 118.68 112.28 2ksi s LEU 109 Ca -0.04 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 2ksi s LEU 109 Cb 0.16 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.34 2ksi s LEU 109 CO 0.57 -1.85 0.00 0.29 0.23 0.00 0.00 176.35 175.59