#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 2.04 -4.76 3.17 7.64 -1.26 -4.92 113.62 115.53 2ksi n SER 2 Ca 0.00 1.15 -0.35 0.00 1.01 0.00 0.00 58.87 60.69 2ksi n SER 2 Cb 0.00 -1.34 0.03 0.00 -1.01 0.00 0.00 64.21 61.89 2ksi n SER 2 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ksi s LEU 3 N 0.25 3.59 0.05 -3.43 1.43 -1.26 -4.97 118.68 114.34 2ksi s LEU 3 Ca 0.67 2.20 -0.33 0.00 -1.03 0.00 0.00 54.13 55.64 2ksi s LEU 3 Cb -0.72 -4.58 -0.19 0.00 0.03 0.00 0.00 46.19 40.74 2ksi s LEU 3 CO 0.53 -1.52 1.48 0.11 0.23 0.00 0.00 176.35 177.19 2ksi h LYS 4 N 0.67 -1.02 -1.40 1.70 1.57 -1.99 -2.56 116.57 113.54 2ksi h LYS 4 Ca -0.49 0.07 0.40 0.00 -1.87 0.00 0.00 60.65 58.76 2ksi h LYS 4 Cb 1.27 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 33.76 2ksi h LYS 4 CO 0.55 -0.67 1.01 0.77 -0.57 0.00 0.00 179.45 180.54 2ksi h SER 5 N -1.14 0.00 -0.30 0.86 0.02 -1.93 0.17 113.55 111.22 2ksi h SER 5 Ca -0.11 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2ksi h SER 5 Cb 0.83 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 2ksi h SER 5 CO 0.18 0.00 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.02 2ksi h ASP 6 N 0.00 -0.26 -0.94 3.07 3.58 -1.83 -0.92 116.42 119.12 2ksi h ASP 6 Ca 0.66 0.09 0.19 0.00 0.42 0.00 0.00 57.03 58.39 2ksi h ASP 6 Cb 2.68 0.18 -0.08 0.00 1.72 0.00 0.00 39.33 43.83 2ksi h ASP 6 CO -0.01 -0.09 0.60 -0.08 -2.88 0.00 0.00 179.24 176.79 2ksi h GLU 7 N 0.01 0.53 0.61 0.28 4.57 -0.73 -2.13 114.58 117.72 2ksi h GLU 7 Ca 0.15 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2ksi h GLU 7 Cb 0.22 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2ksi h GLU 7 CO -0.30 0.35 -0.48 0.28 -1.18 0.00 0.00 179.01 177.67 2ksi h VAL 8 N 0.54 0.05 -0.66 0.32 2.07 -1.23 0.24 116.25 117.58 2ksi h VAL 8 Ca 0.50 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.15 2ksi h VAL 8 Cb 1.05 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 2ksi h VAL 8 CO -0.24 0.00 0.15 -0.26 0.02 0.00 0.00 177.57 177.24 2ksi h PHE 9 N -1.06 0.23 -0.56 1.57 0.04 -1.29 -0.23 116.94 115.63 2ksi h PHE 9 Ca -0.08 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 2ksi h PHE 9 Cb 0.89 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 2ksi h PHE 9 CO -0.18 -0.05 0.26 0.00 -0.60 0.00 0.00 178.31 177.73 2ksi h ALA 10 N 1.54 0.73 -0.01 2.45 0.00 -1.18 -2.32 119.26 120.47 2ksi h ALA 10 Ca 0.36 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2ksi h ALA 10 Cb 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2ksi h ALA 10 CO -0.45 0.30 -0.05 0.87 0.00 0.00 0.00 179.25 179.92 2ksi h LYS 11 N 0.76 -0.08 -0.19 0.00 1.79 0.10 -0.49 116.57 118.46 2ksi h LYS 11 Ca 0.19 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.71 2ksi h LYS 11 Cb 0.14 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 2ksi h LYS 11 CO -0.02 -0.05 -0.12 0.82 -1.08 0.00 0.00 179.45 179.00 2ksi h ILE 12 N -0.08 0.65 0.02 1.86 2.04 -0.98 -0.80 117.51 120.22 2ksi h ILE 12 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2ksi h ILE 12 Cb 0.11 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2ksi h ILE 12 CO -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 177.97 2ksi h ALA 13 N 1.04 -0.16 -0.60 1.87 0.00 -1.22 -1.55 119.26 118.65 2ksi h ALA 13 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.15 2ksi h ALA 13 Cb 0.27 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2ksi h ALA 13 CO -0.26 -0.62 0.41 -0.22 0.00 0.00 0.00 179.25 178.57 2ksi h LYS 14 N -0.22 0.22 -0.16 0.00 3.64 -0.74 0.43 116.57 119.73 2ksi h LYS 14 Ca 0.04 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 2ksi h LYS 14 Cb 0.26 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2ksi h LYS 14 CO -0.11 0.14 -0.49 -0.09 -2.27 0.00 0.00 179.45 176.64 2ksi h ARG 15 N 0.22 0.43 -0.31 1.90 1.12 -0.18 -2.98 114.38 114.59 2ksi h ARG 15 Ca 0.29 -0.24 -0.02 0.00 -1.11 0.00 0.00 59.98 58.89 2ksi h ARG 15 Cb 0.82 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.79 2ksi h ARG 15 CO -0.06 0.82 0.10 -0.07 -3.11 0.00 0.00 179.97 177.66 2ksi h LEU 16 N 0.34 0.39 -0.60 3.80 3.38 -0.23 -0.56 115.31 121.84 2ksi h LEU 16 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ksi h LEU 16 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2ksi h LEU 16 CO 0.09 0.38 0.00 -0.62 0.09 0.00 0.00 178.44 178.38 2ksi n GLU 17 N -4.39 0.15 -0.02 1.13 1.02 -1.12 -3.00 120.64 114.40 2ksi n GLU 17 Ca 0.01 0.40 -0.13 0.00 -0.02 0.00 0.00 57.16 57.43 2ksi n GLU 17 Cb 0.15 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 29.67 2ksi n GLU 17 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ksi h SER 18 N 0.00 -0.04 -0.70 1.62 0.87 -1.16 -3.43 113.55 110.71 2ksi h SER 18 Ca 0.00 -0.64 -0.59 0.00 -1.23 0.00 0.00 61.79 59.34 2ksi h SER 18 Cb 0.32 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 2ksi h SER 18 CO 0.00 0.65 1.56 -0.38 -0.53 0.00 0.00 176.83 178.13 2ksi n ILE 19 N -4.78 0.04 -1.79 2.23 5.41 -1.16 -4.86 119.36 114.45 2ksi n ILE 19 Ca -0.09 -0.25 -0.39 0.00 1.00 0.00 0.00 62.75 63.02 2ksi n ILE 19 Cb 0.33 -1.36 0.03 0.00 -0.71 0.00 0.00 39.64 37.93 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 8.70 5.54 0.38 4.38 1.11 -1.26 -4.89 116.67 130.63 2ksi s ASP 20 Ca 1.17 2.83 0.28 0.00 0.18 0.00 0.00 52.55 57.01 2ksi s ASP 20 Cb -0.93 -2.64 1.16 0.00 1.07 0.00 0.00 42.92 41.57 2ksi s ASP 20 CO 0.47 -1.39 1.83 1.55 1.18 0.00 0.00 175.17 178.80 2ksi h PRO 21 N 1.85 0.00 -0.00 8.23 0.13 -1.95 -2.47 132.00 137.79 2ksi h PRO 21 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2ksi h PRO 21 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2ksi h PRO 21 CO 0.59 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.36 2ksi n ALA 22 N -1.90 2.67 -3.15 -0.56 0.00 -1.26 -4.61 120.51 111.70 2ksi n ALA 22 Ca 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.30 2ksi n ALA 22 Cb 0.25 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.04 -0.71 0.49 0.00 3.04 -0.93 -5.18 114.94 109.61 2ksi s ASN 23 Ca 0.46 0.24 0.07 0.00 0.04 0.00 0.00 52.86 53.67 2ksi s ASN 23 Cb 0.22 1.51 0.01 0.00 -1.54 0.00 0.00 41.25 41.45 2ksi s ASN 23 CO 0.38 -0.13 0.44 -0.13 -3.04 0.00 0.00 177.10 174.61 2ksi s ARG 24 N 2.93 2.39 0.00 0.43 1.81 -1.26 -4.25 118.95 121.00 2ksi s ARG 24 Ca 0.13 -1.74 0.00 0.00 -1.72 0.00 0.00 55.73 52.40 2ksi s ARG 24 Cb -0.08 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 2ksi s ARG 24 CO -0.19 -0.44 0.00 1.04 -0.68 0.00 0.00 175.30 175.03 2ksi n GLN 25 N -1.71 0.00 -3.66 3.54 6.02 -1.26 -5.05 117.38 115.26 2ksi n GLN 25 Ca 0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.74 2ksi n GLN 25 Cb 0.63 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.73 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2ksi s VAL 26 N 0.00 0.31 -0.13 5.09 1.01 -1.26 -5.12 120.40 120.30 2ksi s VAL 26 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 2ksi s VAL 26 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2ksi s VAL 26 CO 0.00 -0.47 0.71 -1.61 0.00 0.00 0.00 175.10 173.73 2ksi s GLU 27 N 1.93 4.33 0.10 2.72 8.01 -1.26 -5.02 118.70 129.52 2ksi s GLU 27 Ca 0.05 0.83 -0.26 0.00 0.01 0.00 0.00 54.97 55.59 2ksi s GLU 27 Cb -0.17 -3.52 0.08 0.00 -4.31 0.00 0.00 34.13 26.22 2ksi s GLU 27 CO -0.20 -0.12 1.07 -1.01 0.01 0.00 0.00 175.26 175.01 2ksi s HIS 28 N 1.47 -0.08 -0.18 1.61 3.76 -1.26 -5.15 115.29 115.45 2ksi s HIS 28 Ca 0.35 -0.17 -0.12 0.00 -0.15 0.00 0.00 55.06 54.97 2ksi s HIS 28 Cb -0.17 0.62 -0.05 0.00 1.11 0.00 0.00 32.58 34.09 2ksi s HIS 28 CO 0.14 -0.66 0.20 0.08 -0.85 0.00 0.00 174.74 173.65 2ksi s VAL 29 N -2.92 5.37 0.29 -0.90 1.01 -1.26 -4.52 120.40 117.47 2ksi s VAL 29 Ca 0.14 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.57 2ksi s VAL 29 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2ksi s VAL 29 CO 0.01 0.42 -0.10 -0.31 0.00 0.00 0.00 175.10 175.12 2ksi s TYR 30 N 0.39 2.46 -0.02 5.22 2.02 -1.25 -3.04 117.35 123.13 2ksi s TYR 30 Ca 0.12 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.54 2ksi s TYR 30 Cb -0.12 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 2ksi s TYR 30 CO 0.01 0.64 -0.18 0.21 -1.57 0.00 0.00 175.55 174.66 2ksi s LYS 31 N -3.60 1.57 -0.09 -0.62 2.47 -0.39 -2.52 119.74 116.57 2ksi s LYS 31 Ca 0.31 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 2ksi s LYS 31 Cb -0.04 -1.47 0.02 0.00 -1.46 0.00 0.00 37.83 34.88 2ksi s LYS 31 CO 0.17 0.35 -0.07 -0.06 0.16 0.00 0.00 175.35 175.91 2ksi s PHE 32 N -0.31 1.25 -0.08 4.03 0.08 -0.10 -0.61 117.98 122.25 2ksi s PHE 32 Ca 0.04 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.59 2ksi s PHE 32 Cb -0.08 -1.06 -0.01 0.00 -0.57 0.00 0.00 43.02 41.30 2ksi s PHE 32 CO 0.00 -0.40 -0.20 1.03 -0.10 0.00 0.00 175.22 175.55 2ksi s ARG 33 N 1.47 2.78 -0.15 0.44 0.52 -1.02 0.14 118.95 123.13 2ksi s ARG 33 Ca -0.01 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 2ksi s ARG 33 Cb -0.13 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 2ksi s ARG 33 CO -0.05 0.37 -0.10 0.42 0.02 0.00 0.00 175.30 175.97 2ksi s ILE 34 N -0.11 3.25 0.31 1.52 -1.09 -1.00 -1.60 121.20 122.48 2ksi s ILE 34 Ca -0.04 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 57.88 2ksi s ILE 34 Cb -0.14 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 2ksi s ILE 34 CO 0.04 0.50 0.25 -0.89 -1.23 0.00 0.00 174.94 173.61 2ksi s THR 35 N 0.60 3.85 -0.30 2.92 2.01 -1.24 -2.02 115.64 121.45 2ksi s THR 35 Ca -0.06 -1.39 -0.02 0.00 0.31 0.00 0.00 61.69 60.53 2ksi s THR 35 Cb -0.15 -3.26 0.12 0.00 0.01 0.00 0.00 72.50 69.23 2ksi s THR 35 CO 0.03 -0.24 0.22 -1.58 -0.69 0.00 0.00 174.62 172.36 2ksi s GLN 36 N -3.94 0.32 -0.18 4.92 0.74 0.13 -3.60 119.66 118.05 2ksi s GLN 36 Ca 0.38 -0.51 -0.01 0.00 0.05 0.00 0.00 55.36 55.27 2ksi s GLN 36 Cb -0.06 -0.95 0.00 0.00 1.10 0.00 0.00 33.01 33.09 2ksi s GLN 36 CO 0.26 -1.06 0.16 0.41 -0.55 0.00 0.00 175.29 174.51 2ksi n GLY 37 N 5.05 0.64 2.58 2.59 0.00 -1.26 -3.35 105.19 111.43 2ksi n GLY 37 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.79 0.33 2.90 -0.02 0.00 -1.26 -4.98 105.19 101.37 2ksi n GLY 38 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2ksi n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksi s LYS 39 N -0.78 0.70 0.41 1.61 1.02 -1.21 -5.12 119.74 116.36 2ksi s LYS 39 Ca 0.00 -0.10 -0.22 0.00 0.02 0.00 0.00 55.97 55.66 2ksi s LYS 39 Cb 0.00 -0.73 -0.13 0.00 -0.52 0.00 0.00 37.83 36.45 2ksi s LYS 39 CO 0.00 -0.05 0.45 1.55 -0.92 0.00 0.00 175.35 176.39 2ksi n VAL 40 N 3.84 1.54 0.00 3.17 3.14 -1.26 0.22 118.33 128.98 2ksi n VAL 40 Ca -0.24 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 2ksi n VAL 40 Cb 0.52 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 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 -0.84 0.00 -3.61 1.55 3.14 -0.86 -4.57 118.33 113.14 2ksi n VAL 41 Ca 0.12 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.49 2ksi n VAL 41 Cb 0.39 -0.58 -0.01 0.00 -1.06 0.00 0.00 33.84 32.58 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 -1.62 0.33 0.15 1.45 2.20 -1.10 -5.05 119.74 116.11 2ksi s LYS 42 Ca 0.00 -0.16 0.08 0.00 -0.36 0.00 0.00 55.97 55.53 2ksi s LYS 42 Cb 0.00 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 2ksi s LYS 42 CO 0.00 -0.15 -0.09 -0.80 -0.36 0.00 0.00 175.35 173.95 2ksi s ASN 43 N -2.63 4.36 0.02 1.43 0.01 -1.26 -2.39 114.94 114.48 2ksi s ASN 43 Ca 0.12 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.81 2ksi s ASN 43 Cb 0.02 -0.79 -0.01 0.00 0.41 0.00 0.00 41.25 40.88 2ksi s ASN 43 CO -0.04 0.13 -0.07 0.26 -1.51 0.00 0.00 177.10 175.86 2ksi s TRP 44 N -1.53 0.64 0.00 2.20 0.51 0.38 -2.56 118.94 118.59 2ksi s TRP 44 Ca 0.24 -0.30 0.06 0.00 -2.12 0.00 0.00 56.10 53.98 2ksi s TRP 44 Cb -0.10 -0.39 -0.02 0.00 -0.81 0.00 0.00 33.47 32.15 2ksi s TRP 44 CO 0.15 -0.04 -0.20 0.08 -0.51 0.00 0.00 176.95 176.43 2ksi s VAL 45 N -0.76 1.57 -0.61 4.03 1.01 0.67 -0.92 120.40 125.39 2ksi s VAL 45 Ca -0.03 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 2ksi s VAL 45 Cb -0.06 -1.32 0.15 0.00 0.00 0.00 0.00 36.38 35.15 2ksi s VAL 45 CO 0.00 0.36 0.55 -0.32 0.00 0.00 0.00 175.10 175.69 2ksi s MET 46 N -0.69 3.10 -1.24 2.72 1.75 -1.05 -2.14 119.30 121.75 2ksi s MET 46 Ca 0.07 -1.92 -0.20 0.00 -1.25 0.00 0.00 55.69 52.40 2ksi s MET 46 Cb -0.08 -4.29 0.01 0.00 2.84 0.00 0.00 34.83 33.31 2ksi s MET 46 CO 0.00 -1.31 1.80 0.34 -0.65 0.00 0.00 175.02 175.21 2ksi s ASP 47 N 3.12 6.14 0.10 1.11 -1.08 0.11 -3.95 116.67 122.22 2ksi s ASP 47 Ca 0.07 -2.11 0.21 0.00 -0.52 0.00 0.00 52.55 50.20 2ksi s ASP 47 Cb -0.25 -2.58 0.86 0.00 -1.46 0.00 0.00 42.92 39.49 2ksi s ASP 47 CO -0.00 -1.90 1.65 0.18 0.52 0.00 0.00 175.17 175.62 2ksi n LEU 48 N 10.68 0.29 -0.07 -1.34 4.32 -1.26 -0.62 117.00 128.99 2ksi n LEU 48 Ca 0.47 0.56 -0.12 0.00 -0.02 0.00 0.00 56.01 56.90 2ksi n LEU 48 Cb 0.46 -0.50 -0.09 0.00 -1.62 0.00 0.00 43.42 41.67 2ksi n LEU 48 CO 0.73 -0.29 0.04 0.11 -1.22 0.00 0.00 177.39 176.76 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.87 -3.35 116.57 116.14 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2ksi h LYS 49 CO 0.00 0.70 -0.21 0.09 -0.57 0.00 0.00 179.45 179.46 2ksi n ASN 50 N -4.61 0.45 -2.20 0.86 4.13 -1.21 -4.95 115.26 107.73 2ksi n ASN 50 Ca -0.12 -0.30 -0.09 0.00 1.68 0.00 0.00 54.58 55.74 2ksi n ASN 50 Cb 0.40 -0.05 0.04 0.00 -1.54 0.00 0.00 39.78 38.64 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ksi n VAL 51 N -1.18 -2.83 -3.98 2.41 0.31 0.20 -5.05 118.33 108.21 2ksi n VAL 51 Ca 0.10 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 2ksi n VAL 51 Cb 0.31 -3.63 -0.07 0.00 -0.91 0.00 0.00 33.84 29.54 2ksi n VAL 51 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ksi s LYS 52 N -4.80 1.29 -0.32 5.55 1.02 0.02 -4.74 119.74 117.75 2ksi s LYS 52 Ca 0.04 -1.23 0.02 0.00 0.02 0.00 0.00 55.97 54.82 2ksi s LYS 52 Cb -0.02 0.40 0.10 0.00 -0.52 0.00 0.00 37.83 37.79 2ksi s LYS 52 CO 0.37 -0.49 0.07 -0.51 -0.92 0.00 0.00 175.35 173.86 2ksi s LEU 53 N -3.00 3.60 0.54 3.17 1.02 -1.26 0.04 118.68 122.79 2ksi s LEU 53 Ca 0.21 -1.90 0.09 0.00 0.02 0.00 0.00 54.13 52.54 2ksi s LEU 53 Cb 0.02 -1.28 0.07 0.00 0.02 0.00 0.00 46.19 45.02 2ksi s LEU 53 CO 0.04 -0.39 0.74 0.68 0.02 0.00 0.00 176.35 177.44 2ksi s VAL 54 N 1.23 2.35 -0.34 -1.59 -7.23 -0.91 -4.94 120.40 108.97 2ksi s VAL 54 Ca 0.10 -1.00 -0.08 0.00 -1.81 0.00 0.00 61.98 59.20 2ksi s VAL 54 Cb -0.18 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.44 2ksi s VAL 54 CO -0.16 0.00 0.13 -1.83 -0.31 0.00 0.00 175.10 172.93 2ksi s GLU 55 N -4.60 2.76 0.11 4.82 1.03 -1.26 -0.24 118.70 121.33 2ksi s GLU 55 Ca 0.60 -1.09 -0.26 0.00 0.03 0.00 0.00 54.97 54.24 2ksi s GLU 55 Cb -0.07 -3.51 0.08 0.00 -0.80 0.00 0.00 34.13 29.83 2ksi s GLU 55 CO 0.38 -0.63 1.04 -1.12 -1.33 0.00 0.00 175.26 173.60 2ksi s SER 56 N 1.46 -0.14 -0.16 0.83 0.01 -1.06 -4.84 113.70 109.80 2ksi s SER 56 Ca 0.00 -0.34 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2ksi s SER 56 Cb -0.19 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.48 2ksi s SER 56 CO 0.04 -0.75 -0.07 -0.62 0.41 0.00 0.00 173.24 172.25 2ksi s ASP 57 N -2.96 2.74 0.26 2.44 2.15 -1.26 -2.65 116.67 117.38 2ksi s ASP 57 Ca 0.13 -0.60 -0.17 0.00 0.43 0.00 0.00 52.55 52.34 2ksi s ASP 57 Cb 0.00 -0.94 0.01 0.00 -0.30 0.00 0.00 42.92 41.69 2ksi s ASP 57 CO 0.01 -0.16 0.60 -1.81 -0.17 0.00 0.00 175.17 173.63 2ksi s ASP 58 N 1.62 -0.19 0.87 -0.34 1.01 -1.26 -5.13 116.67 113.26 2ksi s ASP 58 Ca 0.02 -0.74 -0.14 0.00 0.71 0.00 0.00 52.55 52.40 2ksi s ASP 58 Cb -0.15 0.65 0.01 0.00 1.01 0.00 0.00 42.92 44.45 2ksi s ASP 58 CO -0.08 -1.23 0.44 0.00 0.21 0.00 0.00 175.17 174.50 2ksi n ALA 59 N -0.42 -2.25 -3.63 5.23 0.00 -1.26 -4.95 120.51 113.23 2ksi n ALA 59 Ca -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 2ksi n ALA 59 Cb 0.61 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.22 -1.97 0.46 0.00 0.00 -1.26 -4.95 121.76 111.82 2ksi s ALA 60 Ca 0.60 1.83 0.28 0.00 0.00 0.00 0.00 51.96 54.66 2ksi s ALA 60 Cb -0.26 -1.34 1.55 0.00 0.00 0.00 0.00 23.12 23.07 2ksi s ALA 60 CO 0.64 -0.24 2.12 0.93 0.00 0.00 0.00 175.76 179.21 2ksi h GLU 61 N 3.94 0.00 -3.44 0.00 3.07 -1.93 -3.41 114.58 112.82 2ksi h GLU 61 Ca -0.27 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.24 2ksi h GLU 61 Cb 1.17 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.72 2ksi h GLU 61 CO 0.14 0.09 -0.74 0.00 -1.40 0.00 0.00 179.01 177.10 2ksi s ALA 62 N -4.31 0.21 -0.16 3.43 0.00 -1.22 -4.69 121.76 115.02 2ksi s ALA 62 Ca -0.03 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 2ksi s ALA 62 Cb 0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2ksi s ALA 62 CO 0.58 -0.32 -0.02 0.99 0.00 0.00 0.00 175.76 176.98 2ksi s THR 63 N 1.69 3.98 -0.18 0.00 2.01 0.15 -1.26 115.64 122.03 2ksi s THR 63 Ca -0.01 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 2ksi s THR 63 Cb -0.12 -2.75 0.04 0.00 0.01 0.00 0.00 72.50 69.68 2ksi s THR 63 CO -0.03 0.48 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.56 2ksi s LEU 64 N 0.42 1.90 -0.16 4.42 1.02 0.22 -0.39 118.68 126.12 2ksi s LEU 64 Ca -0.03 -0.79 -0.06 0.00 0.02 0.00 0.00 54.13 53.27 2ksi s LEU 64 Cb -0.14 -1.03 -0.04 0.00 0.02 0.00 0.00 46.19 45.00 2ksi s LEU 64 CO 0.03 -0.18 0.05 -0.89 0.02 0.00 0.00 176.35 175.38 2ksi s THR 65 N 1.54 4.69 -0.13 5.49 2.01 -1.02 -2.43 115.64 125.79 2ksi s THR 65 Ca -0.01 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 2ksi s THR 65 Cb -0.16 -3.08 0.05 0.00 0.01 0.00 0.00 72.50 69.32 2ksi s THR 65 CO -0.08 0.50 0.55 -0.04 -0.69 0.00 0.00 174.62 174.86 2ksi s MET 66 N 0.07 0.76 0.66 4.92 -1.94 -0.63 -3.95 119.30 119.20 2ksi s MET 66 Ca 0.05 0.47 -0.11 0.00 -1.71 0.00 0.00 55.69 54.39 2ksi s MET 66 Cb -0.12 0.36 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 2ksi s MET 66 CO 0.01 -0.16 1.05 -1.21 -0.01 0.00 0.00 175.02 174.70 2ksi s GLU 67 N -0.38 3.24 0.13 2.03 2.02 -1.26 -3.69 118.70 120.78 2ksi s GLU 67 Ca -0.05 0.71 -0.32 0.00 0.02 0.00 0.00 54.97 55.32 2ksi s GLU 67 Cb -0.03 -2.04 -0.10 0.00 0.10 0.00 0.00 34.13 32.06 2ksi s GLU 67 CO 0.04 -0.82 1.56 0.22 0.02 0.00 0.00 175.26 176.28 2ksi h ASP 68 N -0.50 -1.65 -0.96 -0.19 3.58 -1.93 0.17 116.42 114.94 2ksi h ASP 68 Ca -0.44 0.21 0.21 0.00 0.42 0.00 0.00 57.03 57.43 2ksi h ASP 68 Cb 1.21 0.67 -0.08 0.00 1.72 0.00 0.00 39.33 42.85 2ksi h ASP 68 CO 0.61 -0.45 0.62 -0.78 -2.88 0.00 0.00 179.24 176.37 2ksi h ASP 69 N -0.50 0.52 0.31 2.28 1.82 -1.93 0.28 116.42 119.19 2ksi h ASP 69 Ca 0.06 0.06 -0.13 0.00 -0.39 0.00 0.00 57.03 56.63 2ksi h ASP 69 Cb 0.65 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 2ksi h ASP 69 CO -0.48 0.19 -0.52 0.40 -1.61 0.00 0.00 179.24 177.21 2ksi h ILE 70 N 0.50 1.36 -0.24 2.25 1.08 -1.21 -2.61 117.51 118.64 2ksi h ILE 70 Ca 0.52 -1.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 2ksi h ILE 70 Cb 1.15 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 2ksi h ILE 70 CO -0.25 0.53 0.11 -0.03 -0.69 0.00 0.00 178.15 177.83 2ksi h MET 71 N 0.19 0.35 -0.11 2.37 4.05 0.22 0.38 114.93 122.37 2ksi h MET 71 Ca 0.00 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 2ksi h MET 71 Cb 0.98 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2ksi h MET 71 CO 0.08 0.36 -0.31 0.35 0.23 0.00 0.00 176.91 177.62 2ksi h PHE 72 N 0.25 0.24 0.22 1.39 3.57 -1.43 0.32 116.94 121.50 2ksi h PHE 72 Ca 0.08 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2ksi h PHE 72 Cb 0.13 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2ksi h PHE 72 CO -0.02 0.51 -0.10 0.00 -2.23 0.00 0.00 178.31 176.46 2ksi h ALA 73 N 1.49 -0.30 -0.51 2.41 0.00 -1.12 -3.15 119.26 118.08 2ksi h ALA 73 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ksi h ALA 73 Cb 0.65 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ksi h ALA 73 CO 0.05 -0.28 0.21 0.82 0.00 0.00 0.00 179.25 180.05 2ksi h ILE 74 N -1.06 1.21 -0.92 0.00 1.08 -0.31 0.39 117.51 117.90 2ksi h ILE 74 Ca -0.03 -0.67 0.20 0.00 -0.39 0.00 0.00 64.86 63.97 2ksi h ILE 74 Cb 0.22 0.69 -0.07 0.00 -3.07 0.00 0.00 36.82 34.59 2ksi h ILE 74 CO 0.05 0.25 0.60 1.23 -0.69 0.00 0.00 178.15 179.59 2ksi h GLY 75 N 0.69 1.07 -1.57 5.37 0.00 -0.49 0.30 103.07 108.43 2ksi h GLY 75 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2ksi h GLY 75 CO -0.01 -0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.22 2ksi n THR 76 N -4.56 0.04 -2.52 4.70 -2.24 -1.02 -4.59 114.28 104.08 2ksi n THR 76 Ca 0.20 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 2ksi n THR 76 Cb 0.65 1.19 0.01 0.00 -2.10 0.00 0.00 70.33 70.09 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 1.31 -0.06 0.12 3.38 0.00 0.11 -4.79 105.19 105.26 2ksi n GLY 77 Ca 0.16 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 0.58 0.02 -3.26 4.61 0.00 -0.51 -3.46 119.26 117.24 2ksi h ALA 78 Ca -0.30 -0.88 -0.66 0.00 0.00 0.00 0.00 54.91 53.06 2ksi h ALA 78 Cb 1.21 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 2ksi h ALA 78 CO 0.34 0.60 -0.62 -0.51 0.00 0.00 0.00 179.25 179.06 2ksi s LEU 79 N -7.71 3.66 -0.09 0.00 1.43 -1.23 -5.01 118.68 109.72 2ksi s LEU 79 Ca -0.16 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2ksi s LEU 79 Cb 0.03 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2ksi s LEU 79 CO 0.81 0.28 1.52 -2.16 0.23 0.00 0.00 176.35 177.03 2ksi s PRO 80 N -1.59 4.20 0.42 1.29 0.04 -1.26 -4.59 135.00 133.51 2ksi s PRO 80 Ca 0.20 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.34 2ksi s PRO 80 Cb -0.12 -3.90 0.92 0.00 0.04 0.00 0.00 34.50 31.44 2ksi s PRO 80 CO 0.11 -0.79 2.06 0.00 0.04 0.00 0.00 177.00 178.42 2ksi h ALA 81 N 9.03 1.77 0.32 8.56 0.00 -1.97 0.25 119.26 137.22 2ksi h ALA 81 Ca -0.35 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2ksi h ALA 81 Cb 1.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ksi h ALA 81 CO 0.96 0.19 -0.15 -0.22 0.00 0.00 0.00 179.25 180.03 2ksi h LYS 82 N 0.49 -0.41 -0.52 0.00 3.64 -1.99 -2.81 116.57 114.97 2ksi h LYS 82 Ca 0.15 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2ksi h LYS 82 Cb 0.02 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2ksi h LYS 82 CO -0.04 -0.11 0.34 1.49 -2.27 0.00 0.00 179.45 178.87 2ksi h GLU 83 N -0.98 0.67 -0.29 1.90 4.57 -1.93 0.30 114.58 118.82 2ksi h GLU 83 Ca -0.04 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2ksi h GLU 83 Cb 0.49 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 2ksi h GLU 83 CO 0.07 0.45 -0.23 0.00 -1.18 0.00 0.00 179.01 178.12 2ksi h ALA 84 N 1.20 -0.06 0.00 2.92 0.00 -0.59 -0.74 119.26 121.99 2ksi h ALA 84 Ca 0.20 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2ksi h ALA 84 Cb -0.06 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ksi h ALA 84 CO -0.05 -0.64 -0.48 0.52 0.00 0.00 0.00 179.25 178.60 2ksi h MET 85 N -0.21 0.00 -0.20 0.00 2.86 -1.27 -3.07 114.93 113.05 2ksi h MET 85 Ca 0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2ksi h MET 85 Cb 0.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2ksi h MET 85 CO -0.41 0.48 0.08 0.00 1.06 0.00 0.00 176.91 178.12 2ksi h ALA 86 N 1.52 1.78 -0.41 6.32 0.00 0.10 -1.26 119.26 127.30 2ksi h ALA 86 Ca -0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 2ksi h ALA 86 Cb 1.08 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2ksi h ALA 86 CO 0.06 0.18 0.23 1.04 0.00 0.00 0.00 179.25 180.76 2ksi n GLN 87 N -4.46 1.89 -2.41 0.00 3.00 -0.68 -4.84 117.38 109.88 2ksi n GLN 87 Ca -0.00 -1.41 -0.07 0.00 -0.01 0.00 0.00 57.00 55.51 2ksi n GLN 87 Cb 0.11 -1.62 -0.00 0.00 0.00 0.00 0.00 30.24 28.73 2ksi n GLN 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2ksi n ASP 88 N -0.12 -2.57 -0.74 1.08 9.92 -0.48 -4.76 116.55 118.89 2ksi n ASP 88 Ca 0.24 0.32 0.12 0.00 -0.53 0.00 0.00 54.79 54.95 2ksi n ASP 88 Cb 0.96 -2.26 0.32 0.00 -0.64 0.00 0.00 41.12 39.50 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ksi n LYS 89 N -2.61 2.01 -3.66 -1.24 5.02 -1.18 -4.91 118.16 111.59 2ksi n LYS 89 Ca -0.08 -1.48 -0.15 0.00 -2.02 0.00 0.00 58.31 54.57 2ksi n LYS 89 Cb 0.55 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.86 0.82 -0.27 1.97 -1.94 -1.26 -4.91 119.30 111.85 2ksi s MET 90 Ca 0.34 0.10 0.03 0.00 -1.71 0.00 0.00 55.69 54.45 2ksi s MET 90 Cb 0.20 0.38 0.07 0.00 2.01 0.00 0.00 34.83 37.48 2ksi s MET 90 CO 0.30 -0.23 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.79 2ksi s GLU 91 N -1.07 2.08 -0.02 2.03 2.02 -1.25 -4.79 118.70 117.70 2ksi s GLU 91 Ca -0.11 -1.40 0.07 0.00 0.02 0.00 0.00 54.97 53.55 2ksi s GLU 91 Cb -0.03 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 2ksi s GLU 91 CO 0.06 -0.63 -0.22 0.54 0.02 0.00 0.00 175.26 175.04 2ksi s VAL 92 N 1.10 1.72 -0.16 2.63 0.11 -1.26 -2.43 120.40 122.10 2ksi s VAL 92 Ca -0.06 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 2ksi s VAL 92 Cb -0.20 -1.43 0.05 0.00 -1.53 0.00 0.00 36.38 33.27 2ksi s VAL 92 CO -0.06 0.48 -0.00 -1.81 -3.33 0.00 0.00 175.10 170.39 2ksi s ASP 93 N -0.52 2.66 0.00 3.54 1.01 0.48 -5.00 116.67 118.84 2ksi s ASP 93 Ca 0.08 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 52.70 2ksi s ASP 93 Cb -0.08 -0.69 0.00 0.00 1.01 0.00 0.00 42.92 43.16 2ksi s ASP 93 CO -0.01 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2ksi n GLY 94 N 5.00 1.68 3.66 0.21 0.00 -1.26 0.33 105.19 114.82 2ksi n GLY 94 Ca -0.10 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.66 2.43 -0.32 1.61 0.00 -1.26 -4.84 117.38 114.34 2ksi n GLN 95 Ca 0.00 0.88 0.14 0.00 -0.00 0.00 0.00 57.00 58.02 2ksi n GLN 95 Cb 0.00 -2.82 0.29 0.00 0.00 0.00 0.00 30.24 27.71 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 5.65 0.15 -0.15 1.69 2.07 -1.99 0.29 116.25 123.96 2ksi h VAL 96 Ca -0.48 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2ksi h VAL 96 Cb 1.26 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2ksi h VAL 96 CO 0.95 0.01 0.06 -0.33 0.02 0.00 0.00 177.57 178.28 2ksi h GLU 97 N 0.08 0.13 -0.38 1.57 3.07 -1.96 0.23 114.58 117.32 2ksi h GLU 97 Ca 0.57 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.50 2ksi h GLU 97 Cb 1.18 -0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 28.98 2ksi h GLU 97 CO -0.80 0.09 -0.32 -0.07 -1.40 0.00 0.00 179.01 176.51 2ksi h LEU 98 N 0.13 -1.06 -1.08 1.33 3.38 -0.80 0.88 115.31 118.10 2ksi h LEU 98 Ca 0.06 0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2ksi h LEU 98 Cb 0.03 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2ksi h LEU 98 CO -0.05 -0.32 -0.44 0.16 0.09 0.00 0.00 178.44 177.88 2ksi h ILE 99 N -0.26 1.23 0.00 1.22 3.07 -1.25 -2.49 117.51 119.03 2ksi h ILE 99 Ca 0.17 -1.55 0.00 0.00 1.55 0.00 0.00 64.86 65.02 2ksi h ILE 99 Cb 0.53 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 2ksi h ILE 99 CO -0.52 0.43 0.00 0.15 -1.05 0.00 0.00 178.15 177.16 2ksi h PHE 100 N 0.00 0.00 0.01 0.16 3.57 0.17 -2.69 116.94 118.15 2ksi h PHE 100 Ca -0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 2ksi h PHE 100 Cb 0.82 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 2ksi h PHE 100 CO 0.00 0.00 -0.90 -0.07 -2.23 0.00 0.00 178.31 175.11 2ksi h LEU 101 N 0.00 0.30 0.00 0.59 3.38 -0.48 -3.11 115.31 115.99 2ksi h LEU 101 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2ksi h LEU 101 Cb 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ksi h LEU 101 CO 0.00 1.05 -0.18 0.18 0.09 0.00 0.00 178.44 179.59 2ksi n LEU 102 N -3.67 0.54 0.24 1.67 4.32 -1.03 -3.95 117.00 115.12 2ksi n LEU 102 Ca -0.04 0.42 -0.15 0.00 -0.02 0.00 0.00 56.01 56.22 2ksi n LEU 102 Cb 0.82 -0.33 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 2ksi n LEU 102 CO 0.48 -0.07 0.70 -0.33 -1.22 0.00 0.00 177.39 176.95 2ksi h GLU 103 N 0.00 -0.61 0.00 3.23 5.08 -1.46 -0.96 114.58 119.86 2ksi h GLU 103 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2ksi h GLU 103 Cb 0.65 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2ksi h GLU 103 CO 0.00 -0.41 0.00 -0.35 -1.00 0.00 0.00 179.01 177.25 2ksi n PRO 104 N -5.39 0.00 0.04 2.33 -0.04 -1.25 -2.09 135.00 128.60 2ksi n PRO 104 Ca -0.10 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2ksi n PRO 104 Cb 0.29 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.51 0.43 -0.11 0.54 3.01 -0.80 -4.29 117.46 114.71 2ksi n PHE 105 Ca 0.03 0.12 -0.05 0.00 1.01 0.00 0.00 57.45 58.56 2ksi n PHE 105 Cb 0.17 -0.62 0.02 0.00 -0.01 0.00 0.00 39.48 39.04 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 0.82 -0.89 4.37 2.04 -0.63 -1.26 117.51 121.95 2ksi h ILE 106 Ca 0.00 -0.07 0.18 0.00 1.00 0.00 0.00 64.86 65.97 2ksi h ILE 106 Cb 0.89 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 2ksi h ILE 106 CO 0.00 0.04 0.58 0.00 0.00 0.00 0.00 178.15 178.77 2ksi h ALA 107 N 1.28 2.05 -0.73 1.87 0.00 -1.75 0.99 119.26 122.97 2ksi h ALA 107 Ca 0.18 0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2ksi h ALA 107 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2ksi h ALA 107 CO -0.23 -0.32 0.58 1.03 0.00 0.00 0.00 179.25 180.31 2ksi h SER 108 N 0.52 0.00 -4.52 0.00 0.87 -1.46 -3.41 113.55 105.54 2ksi h SER 108 Ca 0.46 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.56 2ksi h SER 108 Cb 0.99 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 63.05 2ksi h SER 108 CO -0.20 0.00 0.39 -0.76 -0.53 0.00 0.00 176.83 175.74 2ksi s LEU 109 N -8.21 2.54 0.00 2.23 1.43 0.34 -5.03 118.68 111.98 2ksi s LEU 109 Ca -0.05 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 2ksi s LEU 109 Cb 0.19 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2ksi s LEU 109 CO 0.70 -1.91 0.00 0.29 0.23 0.00 0.00 176.35 175.66