#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksi s SER 2 N 0.00 3.90 1.35 3.17 0.01 -1.26 -5.11 113.70 115.75 2ksi s SER 2 Ca 0.00 -0.45 -0.21 0.00 1.31 0.00 0.00 55.95 56.60 2ksi s SER 2 Cb 0.00 -1.63 0.33 0.00 0.21 0.00 0.00 66.02 64.93 2ksi s SER 2 CO 0.00 0.03 0.75 0.00 0.41 0.00 0.00 173.24 174.43 2ksi n LEU 3 N 4.44 -0.52 -0.44 2.44 -0.00 -1.26 -4.52 117.00 117.14 2ksi n LEU 3 Ca -0.19 -0.75 0.36 0.00 -0.00 0.00 0.00 56.01 55.43 2ksi n LEU 3 Cb 0.51 -0.93 0.65 0.00 -0.00 0.00 0.00 43.42 43.65 2ksi n LEU 3 CO 0.28 -4.27 1.27 0.07 -0.00 0.00 0.00 177.39 174.74 2ksi h LYS 4 N -3.43 0.12 -1.51 1.47 2.10 -2.00 0.44 116.57 113.75 2ksi h LYS 4 Ca -0.34 -0.01 0.44 0.00 -2.00 0.00 0.00 60.65 58.74 2ksi h LYS 4 Cb 1.15 -0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.39 2ksi h LYS 4 CO 0.21 0.08 1.12 0.66 -2.00 0.00 0.00 179.45 179.51 2ksi h SER 5 N 0.12 0.00 -0.72 7.07 4.64 -1.88 0.42 113.55 123.20 2ksi h SER 5 Ca 0.77 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 62.20 2ksi h SER 5 Cb 2.49 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.50 2ksi h SER 5 CO -0.32 0.00 0.34 -0.78 -0.87 0.00 0.00 176.83 175.20 2ksi h ASP 6 N 0.00 0.41 -0.90 4.97 3.58 -0.35 -0.36 116.42 123.78 2ksi h ASP 6 Ca 0.72 0.07 0.17 0.00 0.42 0.00 0.00 57.03 58.41 2ksi h ASP 6 Cb 2.94 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 43.93 2ksi h ASP 6 CO -0.01 0.22 0.58 -0.08 -2.88 0.00 0.00 179.24 177.08 2ksi h GLU 7 N 0.56 0.55 0.52 0.28 4.81 -0.35 -2.33 114.58 118.62 2ksi h GLU 7 Ca 0.36 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2ksi h GLU 7 Cb 0.43 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2ksi h GLU 7 CO -0.30 0.36 -0.49 0.28 -0.73 0.00 0.00 179.01 178.13 2ksi h VAL 8 N 0.56 0.00 -0.75 0.32 2.07 -1.16 0.24 116.25 117.53 2ksi h VAL 8 Ca 0.47 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.15 2ksi h VAL 8 Cb 0.94 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 2ksi h VAL 8 CO -0.21 0.00 0.23 -0.26 0.02 0.00 0.00 177.57 177.35 2ksi h PHE 9 N -1.00 0.38 -0.38 1.57 0.04 -1.44 -0.25 116.94 115.86 2ksi h PHE 9 Ca -0.07 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2ksi h PHE 9 Cb 0.85 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 2ksi h PHE 9 CO -0.23 -0.04 0.16 0.00 -0.60 0.00 0.00 178.31 177.60 2ksi h ALA 10 N 1.60 0.49 -0.04 2.45 0.00 -1.16 -1.90 119.26 120.70 2ksi h ALA 10 Ca 0.43 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2ksi h ALA 10 Cb 0.71 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2ksi h ALA 10 CO -0.48 0.09 -0.08 0.87 0.00 0.00 0.00 179.25 179.65 2ksi h LYS 11 N 0.47 -0.12 -0.61 0.00 6.56 0.11 0.20 116.57 123.17 2ksi h LYS 11 Ca 0.13 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.76 2ksi h LYS 11 Cb 0.18 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.83 2ksi h LYS 11 CO -0.01 -0.08 0.41 0.82 -2.06 0.00 0.00 179.45 178.52 2ksi h ILE 12 N -0.12 1.07 0.23 1.86 2.04 -1.03 -0.94 117.51 120.62 2ksi h ILE 12 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2ksi h ILE 12 Cb 0.19 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2ksi h ILE 12 CO -0.12 0.13 -0.11 0.00 0.00 0.00 0.00 178.15 178.05 2ksi h ALA 13 N 1.65 -0.31 -0.50 1.87 0.00 -0.61 -1.75 119.26 119.60 2ksi h ALA 13 Ca 0.25 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2ksi h ALA 13 Cb 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2ksi h ALA 13 CO -0.07 -0.39 0.36 -0.22 0.00 0.00 0.00 179.25 178.93 2ksi h LYS 14 N -0.87 0.02 0.06 0.00 3.64 -0.45 0.37 116.57 119.35 2ksi h LYS 14 Ca -0.03 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 2ksi h LYS 14 Cb 0.51 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2ksi h LYS 14 CO 0.05 0.02 -1.06 0.00 -2.27 0.00 0.00 179.45 176.19 2ksi h ARG 15 N 0.02 0.27 0.01 1.90 -0.00 -1.15 -3.26 114.38 112.17 2ksi h ARG 15 Ca 0.24 -0.37 -0.20 0.00 -0.50 0.00 0.00 59.98 59.15 2ksi h ARG 15 Cb 0.93 0.12 -0.03 0.00 0.00 0.00 0.00 29.97 30.99 2ksi h ARG 15 CO -0.01 1.11 -0.95 1.37 0.00 0.00 0.00 179.97 181.49 2ksi h LEU 16 N 0.12 0.02 -2.04 3.04 8.10 -0.00 -3.18 115.31 121.37 2ksi h LEU 16 Ca -0.09 -0.02 -0.02 0.00 0.11 0.00 0.00 57.88 57.86 2ksi h LEU 16 Cb 1.74 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 41.95 2ksi h LEU 16 CO 0.17 0.96 -0.08 -0.33 -4.11 0.00 0.00 178.44 175.05 2ksi h GLU 17 N 0.01 0.00 0.00 0.17 5.08 -0.42 -1.47 114.58 117.95 2ksi h GLU 17 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2ksi h GLU 17 Cb 1.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 2ksi h GLU 17 CO 0.13 0.08 -0.12 1.03 -1.00 0.00 0.00 179.01 179.13 2ksi h SER 18 N 0.00 0.00 -1.14 1.42 0.87 -1.59 -3.44 113.55 109.67 2ksi h SER 18 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2ksi h SER 18 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2ksi h SER 18 CO 0.01 0.12 1.57 -0.38 -0.53 0.00 0.00 176.83 177.62 2ksi n ILE 19 N -3.20 0.07 -2.81 2.23 5.41 -0.55 -4.91 119.36 115.60 2ksi n ILE 19 Ca 0.02 -0.42 -0.37 0.00 1.00 0.00 0.00 62.75 62.98 2ksi n ILE 19 Cb 0.45 -1.91 -0.06 0.00 -0.71 0.00 0.00 39.64 37.41 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 9.42 7.37 0.28 4.38 1.11 -1.26 -4.95 116.67 133.03 2ksi s ASP 20 Ca 1.10 1.82 0.24 0.00 0.18 0.00 0.00 52.55 55.89 2ksi s ASP 20 Cb -0.65 -2.57 1.01 0.00 1.07 0.00 0.00 42.92 41.78 2ksi s ASP 20 CO 0.40 -0.01 1.73 1.55 1.18 0.00 0.00 175.17 180.02 2ksi h PRO 21 N 3.40 0.00 0.00 8.23 0.13 -1.98 -2.60 132.00 139.18 2ksi h PRO 21 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ksi h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ksi h PRO 21 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2ksi n ALA 22 N -1.80 2.18 -3.15 -0.56 0.00 -1.26 -4.55 120.51 111.37 2ksi n ALA 22 Ca 0.02 -0.11 0.05 0.00 0.00 0.00 0.00 53.44 53.40 2ksi n ALA 22 Cb 0.23 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.54 -0.76 0.00 0.00 2.47 -0.98 -5.18 114.94 107.96 2ksi s ASN 23 Ca 0.22 0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.75 2ksi s ASN 23 Cb 0.15 1.55 0.00 0.00 -1.45 0.00 0.00 41.25 41.50 2ksi s ASN 23 CO 0.34 -0.14 0.00 0.54 -3.72 0.00 0.00 177.10 174.12 2ksi n ARG 24 N 5.32 1.57 0.00 0.43 5.12 -1.26 -4.43 116.66 123.41 2ksi n ARG 24 Ca 0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2ksi n ARG 24 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 2ksi n ARG 24 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2ksi n GLN 25 N -0.43 0.00 -3.96 5.56 1.13 -1.26 -5.10 117.38 113.32 2ksi n GLN 25 Ca -0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2ksi n GLN 25 Cb 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.19 2ksi n GLN 25 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2ksi s VAL 26 N 0.00 1.43 -0.18 5.09 1.01 -1.26 -5.11 120.40 121.37 2ksi s VAL 26 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 2ksi s VAL 26 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2ksi s VAL 26 CO 0.00 0.25 0.45 -1.61 0.00 0.00 0.00 175.10 174.18 2ksi s GLU 27 N 1.51 4.22 0.15 2.72 2.02 -1.26 -5.03 118.70 123.03 2ksi s GLU 27 Ca 0.01 0.31 -0.23 0.00 0.02 0.00 0.00 54.97 55.08 2ksi s GLU 27 Cb -0.15 -3.52 0.08 0.00 0.10 0.00 0.00 34.13 30.64 2ksi s GLU 27 CO -0.09 -0.02 1.09 -3.38 0.02 0.00 0.00 175.26 172.88 2ksi s HIS 28 N 1.22 0.08 -0.08 1.61 -3.43 -1.26 -5.16 115.29 108.27 2ksi s HIS 28 Ca 0.22 -0.44 -0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2ksi s HIS 28 Cb -0.15 0.68 0.02 0.00 -1.43 0.00 0.00 32.58 31.71 2ksi s HIS 28 CO 0.09 -0.82 -0.05 0.08 -2.00 0.00 0.00 174.74 172.04 2ksi s VAL 29 N -2.06 0.69 0.23 -5.38 1.01 -1.26 -4.32 120.40 109.31 2ksi s VAL 29 Ca 0.24 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2ksi s VAL 29 Cb -0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 2ksi s VAL 29 CO 0.05 0.30 -0.14 -0.72 0.00 0.00 0.00 175.10 174.58 2ksi s TYR 30 N 1.51 1.86 -0.01 5.22 1.13 -1.26 -0.76 117.35 125.04 2ksi s TYR 30 Ca -0.01 -0.56 0.00 0.00 -1.41 0.00 0.00 57.07 55.10 2ksi s TYR 30 Cb -0.13 -0.89 -0.04 0.00 -1.10 0.00 0.00 41.96 39.80 2ksi s TYR 30 CO -0.04 0.41 0.04 0.21 -2.51 0.00 0.00 175.55 173.65 2ksi s LYS 31 N -3.64 2.94 -0.14 -3.49 2.20 0.41 -3.27 119.74 114.75 2ksi s LYS 31 Ca 0.25 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2ksi s LYS 31 Cb -0.01 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 2ksi s LYS 31 CO 0.09 0.65 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.53 2ksi s PHE 32 N -1.11 2.11 -0.19 4.03 0.08 0.96 0.59 117.98 124.46 2ksi s PHE 32 Ca 0.20 -1.17 -0.10 0.00 0.12 0.00 0.00 56.93 55.98 2ksi s PHE 32 Cb -0.12 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2ksi s PHE 32 CO 0.11 -0.65 0.16 1.03 -0.10 0.00 0.00 175.22 175.77 2ksi s ARG 33 N 1.47 4.16 -0.57 0.44 0.52 0.14 0.14 118.95 125.24 2ksi s ARG 33 Ca 0.04 -0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2ksi s ARG 33 Cb -0.13 -3.41 0.15 0.00 0.52 0.00 0.00 34.95 32.08 2ksi s ARG 33 CO -0.10 0.32 0.36 0.42 0.02 0.00 0.00 175.30 176.31 2ksi s ILE 34 N 0.30 3.26 0.16 1.52 -1.09 -1.06 -0.83 121.20 123.46 2ksi s ILE 34 Ca 0.10 -3.05 -0.26 0.00 -2.23 0.00 0.00 60.65 55.21 2ksi s ILE 34 Cb -0.11 -3.18 -0.08 0.00 -1.58 0.00 0.00 42.46 37.51 2ksi s ILE 34 CO -0.01 -0.84 0.80 0.42 -1.23 0.00 0.00 174.94 174.08 2ksi s THR 35 N -0.08 4.36 -0.25 2.92 -4.23 -1.13 -2.74 115.64 114.50 2ksi s THR 35 Ca 0.17 1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 62.40 2ksi s THR 35 Cb -0.22 -4.16 0.14 0.00 1.34 0.00 0.00 72.50 69.59 2ksi s THR 35 CO -0.02 0.50 0.39 -1.10 -0.54 0.00 0.00 174.62 173.85 2ksi s GLN 36 N -1.04 0.36 0.00 3.99 -0.21 -0.74 -2.71 119.66 119.31 2ksi s GLN 36 Ca 0.37 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.32 2ksi s GLN 36 Cb -0.23 -0.39 0.00 0.00 1.00 0.00 0.00 33.01 33.38 2ksi s GLN 36 CO 0.27 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 2ksi n GLY 37 N 5.37 1.16 0.00 3.09 0.00 -1.26 -4.38 105.19 109.16 2ksi n GLY 37 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.48 2.89 3.11 -0.02 0.00 -1.26 -5.05 105.19 103.38 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 0.54 0.00 0.00 0.00 173.32 173.86 2ksi s LYS 39 N -0.77 0.69 0.29 1.61 1.02 -1.26 -5.13 119.74 116.20 2ksi s LYS 39 Ca 0.00 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 2ksi s LYS 39 Cb 0.00 0.21 -0.12 0.00 -0.52 0.00 0.00 37.83 37.40 2ksi s LYS 39 CO 0.00 -0.15 1.49 0.28 -0.92 0.00 0.00 175.35 176.05 2ksi n VAL 40 N 0.06 1.25 -0.03 3.17 0.31 -1.26 -1.79 118.33 120.04 2ksi n VAL 40 Ca -0.12 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 63.88 2ksi n VAL 40 Cb 0.62 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 2ksi n VAL 40 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ksi n VAL 41 N 1.63 0.37 -3.64 2.52 0.24 -1.11 -4.82 118.33 113.52 2ksi n VAL 41 Ca 0.08 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 2ksi n VAL 41 Cb 0.35 -0.55 -0.07 0.00 -1.47 0.00 0.00 33.84 32.11 2ksi n VAL 41 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ksi s LYS 42 N -2.26 0.43 0.56 7.34 1.02 -1.22 -5.07 119.74 120.54 2ksi s LYS 42 Ca -0.03 0.54 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 2ksi s LYS 42 Cb 0.03 0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.52 2ksi s LYS 42 CO 0.30 -0.06 0.87 1.21 -0.92 0.00 0.00 175.35 176.75 2ksi s ASN 43 N 0.37 5.80 0.02 2.83 3.84 -1.26 -2.57 114.94 123.97 2ksi s ASN 43 Ca 0.02 0.79 0.01 0.00 0.21 0.00 0.00 52.86 53.89 2ksi s ASN 43 Cb -0.05 -1.88 -0.01 0.00 -0.55 0.00 0.00 41.25 38.76 2ksi s ASN 43 CO -0.09 -0.92 -0.05 0.26 -2.79 0.00 0.00 177.10 173.51 2ksi s TRP 44 N -2.93 0.40 -0.01 0.43 0.51 0.37 -2.92 118.94 114.78 2ksi s TRP 44 Ca 0.52 -0.32 0.03 0.00 -2.12 0.00 0.00 56.10 54.20 2ksi s TRP 44 Cb -0.10 -0.25 -0.00 0.00 -0.81 0.00 0.00 33.47 32.30 2ksi s TRP 44 CO 0.45 -0.08 -0.09 0.08 -0.51 0.00 0.00 176.95 176.81 2ksi s VAL 45 N -0.86 0.72 -0.38 4.03 1.01 0.78 -0.03 120.40 125.68 2ksi s VAL 45 Ca -0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2ksi s VAL 45 Cb -0.06 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2ksi s VAL 45 CO -0.00 0.21 0.22 -0.04 0.00 0.00 0.00 175.10 175.49 2ksi s MET 46 N -0.03 2.84 -0.89 2.72 -1.94 -1.20 -1.64 119.30 119.14 2ksi s MET 46 Ca 0.01 -1.08 -0.20 0.00 -1.71 0.00 0.00 55.69 52.71 2ksi s MET 46 Cb -0.06 -3.75 0.11 0.00 2.01 0.00 0.00 34.83 33.14 2ksi s MET 46 CO -0.00 -0.71 1.15 0.34 -0.01 0.00 0.00 175.02 175.79 2ksi s ASP 47 N 1.56 6.52 0.00 3.03 -1.08 -0.66 -4.40 116.67 121.65 2ksi s ASP 47 Ca 0.02 -1.74 0.29 0.00 -0.52 0.00 0.00 52.55 50.59 2ksi s ASP 47 Cb -0.19 -2.43 1.32 0.00 -1.46 0.00 0.00 42.92 40.16 2ksi s ASP 47 CO 0.07 -1.21 1.95 0.18 0.52 0.00 0.00 175.17 176.68 2ksi n LEU 48 N 7.16 0.00 -0.07 -1.34 4.32 -1.26 -1.50 117.00 124.31 2ksi n LEU 48 Ca 0.20 0.40 -0.10 0.00 -0.02 0.00 0.00 56.01 56.50 2ksi n LEU 48 Cb 0.49 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.81 2ksi n LEU 48 CO 0.56 -0.01 0.06 0.50 -1.22 0.00 0.00 177.39 177.27 2ksi h LYS 49 N 0.00 0.00 -0.01 3.23 3.64 -1.87 -3.35 116.57 118.22 2ksi h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ksi h LYS 49 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2ksi h LYS 49 CO 0.00 0.59 -0.13 -1.71 -2.27 0.00 0.00 179.45 175.94 2ksi n ASN 50 N -4.64 0.64 -2.89 4.20 2.85 -1.24 -4.94 115.26 109.24 2ksi n ASN 50 Ca -0.10 -0.73 -0.15 0.00 -0.11 0.00 0.00 54.58 53.49 2ksi n ASN 50 Cb 0.34 -0.02 0.07 0.00 1.24 0.00 0.00 39.78 41.41 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 -0.81 -3.81 -3.76 3.44 0.31 -0.77 -5.03 118.33 107.90 2ksi n VAL 51 Ca 0.15 -0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.10 2ksi n VAL 51 Cb 0.29 -4.08 -0.09 0.00 -0.91 0.00 0.00 33.84 29.06 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 -5.41 0.66 -0.14 5.55 2.20 -0.56 -4.46 119.74 117.59 2ksi s LYS 52 Ca 0.17 -0.20 -0.07 0.00 -0.36 0.00 0.00 55.97 55.50 2ksi s LYS 52 Cb -0.07 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2ksi s LYS 52 CO 0.57 -0.18 0.13 -1.17 -0.36 0.00 0.00 175.35 174.33 2ksi s LEU 53 N -1.33 4.28 0.13 5.43 2.96 -1.26 -1.65 118.68 127.24 2ksi s LEU 53 Ca -0.14 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2ksi s LEU 53 Cb -0.05 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2ksi s LEU 53 CO 0.04 0.35 0.05 0.68 -1.32 0.00 0.00 176.35 176.15 2ksi s VAL 54 N -0.65 0.11 -0.34 1.68 -7.23 -0.65 -4.96 120.40 108.36 2ksi s VAL 54 Ca 0.13 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 2ksi s VAL 54 Cb -0.12 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.79 2ksi s VAL 54 CO 0.02 -0.47 0.16 -1.83 -0.31 0.00 0.00 175.10 172.68 2ksi s GLU 55 N -4.05 3.06 0.11 4.82 4.04 -1.26 -0.15 118.70 125.27 2ksi s GLU 55 Ca 0.24 -0.91 -0.26 0.00 0.04 0.00 0.00 54.97 54.08 2ksi s GLU 55 Cb 0.07 -3.61 0.08 0.00 0.02 0.00 0.00 34.13 30.69 2ksi s GLU 55 CO 0.02 -0.55 1.03 -1.12 -1.84 0.00 0.00 175.26 172.80 2ksi s SER 56 N 1.56 -0.15 -0.20 0.83 0.01 -1.15 -4.83 113.70 109.77 2ksi s SER 56 Ca 0.03 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.96 2ksi s SER 56 Cb -0.18 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.50 2ksi s SER 56 CO 0.06 -0.76 -0.10 1.51 0.41 0.00 0.00 173.24 174.35 2ksi s ASP 57 N -2.94 3.40 0.24 2.44 1.47 -1.26 -2.62 116.67 117.40 2ksi s ASP 57 Ca 0.12 -0.89 -0.18 0.00 1.18 0.00 0.00 52.55 52.79 2ksi s ASP 57 Cb -0.00 -1.24 0.02 0.00 -0.34 0.00 0.00 42.92 41.36 2ksi s ASP 57 CO 0.01 -0.14 0.60 -1.81 0.68 0.00 0.00 175.17 174.50 2ksi s ASP 58 N 1.39 -0.23 0.87 2.11 1.01 -1.26 -5.13 116.67 115.43 2ksi s ASP 58 Ca -0.01 -0.62 -0.15 0.00 0.71 0.00 0.00 52.55 52.48 2ksi s ASP 58 Cb -0.16 0.64 -0.03 0.00 1.01 0.00 0.00 42.92 44.38 2ksi s ASP 58 CO -0.08 -1.19 0.21 0.00 0.21 0.00 0.00 175.17 174.32 2ksi n ALA 59 N -0.40 -2.78 -3.63 5.23 0.00 -1.26 -4.79 120.51 112.87 2ksi n ALA 59 Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 2ksi n ALA 59 Cb 0.61 -1.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.16 -1.95 -0.19 0.00 0.00 -1.26 -4.83 121.76 111.37 2ksi s ALA 60 Ca 0.57 1.87 0.25 0.00 0.00 0.00 0.00 51.96 54.65 2ksi s ALA 60 Cb -0.26 -1.37 1.24 0.00 0.00 0.00 0.00 23.12 22.73 2ksi s ALA 60 CO 0.67 -0.25 1.77 1.49 0.00 0.00 0.00 175.76 179.44 2ksi h GLU 61 N 4.17 0.00 -2.90 0.00 4.81 -1.33 -3.41 114.58 115.92 2ksi h GLU 61 Ca -0.28 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.76 2ksi h GLU 61 Cb 1.17 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.25 2ksi h GLU 61 CO 0.11 0.00 -0.49 0.00 -0.73 0.00 0.00 179.01 177.91 2ksi s ALA 62 N -3.54 -0.61 -0.19 2.92 0.00 -1.23 -4.53 121.76 114.57 2ksi s ALA 62 Ca -0.00 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 2ksi s ALA 62 Cb 0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2ksi s ALA 62 CO 0.30 -0.43 0.10 0.99 0.00 0.00 0.00 175.76 176.72 2ksi s THR 63 N 1.87 5.10 -0.04 0.00 2.01 0.14 -0.45 115.64 124.28 2ksi s THR 63 Ca -0.04 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2ksi s THR 63 Cb -0.11 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 2ksi s THR 63 CO -0.09 0.45 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.36 2ksi s LEU 64 N 0.36 1.93 -0.06 4.42 1.43 0.20 -1.03 118.68 125.93 2ksi s LEU 64 Ca 0.06 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2ksi s LEU 64 Cb -0.12 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.15 2ksi s LEU 64 CO -0.01 0.16 -0.13 -0.89 0.23 0.00 0.00 176.35 175.71 2ksi s THR 65 N -0.01 1.17 -0.09 5.49 2.01 -1.19 0.24 115.64 123.27 2ksi s THR 65 Ca -0.03 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.20 2ksi s THR 65 Cb -0.11 -1.06 0.06 0.00 0.01 0.00 0.00 72.50 71.40 2ksi s THR 65 CO 0.02 0.36 0.59 -0.04 -0.69 0.00 0.00 174.62 174.86 2ksi s MET 66 N 0.54 0.89 0.58 4.92 -1.94 -0.01 -4.15 119.30 120.13 2ksi s MET 66 Ca -0.13 0.32 -0.07 0.00 -1.71 0.00 0.00 55.69 54.10 2ksi s MET 66 Cb -0.15 0.42 -0.01 0.00 2.01 0.00 0.00 34.83 37.11 2ksi s MET 66 CO 0.03 -0.24 0.91 -1.21 -0.01 0.00 0.00 175.02 174.51 2ksi s GLU 67 N -0.84 3.13 0.12 2.03 2.02 -1.26 -2.83 118.70 121.08 2ksi s GLU 67 Ca -0.09 0.18 -0.31 0.00 0.02 0.00 0.00 54.97 54.77 2ksi s GLU 67 Cb -0.02 -2.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.87 2ksi s GLU 67 CO 0.07 -0.61 1.57 0.22 0.02 0.00 0.00 175.26 176.52 2ksi h ASP 68 N -0.16 -1.50 -0.95 -0.19 3.58 -1.85 -0.59 116.42 114.78 2ksi h ASP 68 Ca -0.46 0.19 0.17 0.00 0.42 0.00 0.00 57.03 57.35 2ksi h ASP 68 Cb 1.24 0.59 -0.10 0.00 1.72 0.00 0.00 39.33 42.78 2ksi h ASP 68 CO 0.61 -0.46 0.55 -0.78 -2.88 0.00 0.00 179.24 176.28 2ksi h ASP 69 N -0.55 0.71 -0.87 2.28 1.82 -1.94 0.53 116.42 118.39 2ksi h ASP 69 Ca 0.05 0.09 0.03 0.00 -0.39 0.00 0.00 57.03 56.81 2ksi h ASP 69 Cb 0.66 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.59 2ksi h ASP 69 CO -0.40 0.28 0.57 0.40 -1.61 0.00 0.00 179.24 178.48 2ksi h ILE 70 N 0.74 1.16 -0.75 2.25 1.08 -1.52 -1.60 117.51 118.86 2ksi h ILE 70 Ca 0.53 -0.38 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 2ksi h ILE 70 Cb 0.76 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 2ksi h ILE 70 CO -0.36 0.20 0.48 0.24 -0.69 0.00 0.00 178.15 178.02 2ksi h MET 71 N 1.10 0.92 -0.01 2.37 2.86 0.20 0.29 114.93 122.66 2ksi h MET 71 Ca 0.34 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 2ksi h MET 71 Cb -0.00 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2ksi h MET 71 CO -0.10 0.61 -0.55 0.35 1.06 0.00 0.00 176.91 178.28 2ksi h PHE 72 N 0.95 0.02 0.20 -0.22 3.57 -1.22 0.55 116.94 120.79 2ksi h PHE 72 Ca 0.30 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2ksi h PHE 72 Cb -0.01 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2ksi h PHE 72 CO -0.03 0.57 -0.10 0.00 -2.23 0.00 0.00 178.31 176.52 2ksi h ALA 73 N 1.43 -0.27 -0.17 2.41 0.00 -0.45 -3.07 119.26 119.15 2ksi h ALA 73 Ca -0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2ksi h ALA 73 Cb 0.98 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ksi h ALA 73 CO 0.07 -0.26 -0.39 0.82 0.00 0.00 0.00 179.25 179.49 2ksi h ILE 74 N -1.06 1.34 -0.95 0.00 2.04 -0.54 0.21 117.51 118.55 2ksi h ILE 74 Ca -0.03 -1.65 0.15 0.00 1.00 0.00 0.00 64.86 64.34 2ksi h ILE 74 Cb 0.25 1.95 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 2ksi h ILE 74 CO 0.05 0.50 0.56 1.23 0.00 0.00 0.00 178.15 180.48 2ksi h GLY 75 N 0.22 1.60 -0.67 5.37 0.00 -0.01 0.31 103.07 109.89 2ksi h GLY 75 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2ksi h GLY 75 CO 0.09 0.01 0.00 -1.30 0.00 0.00 0.00 176.54 175.34 2ksi n THR 76 N -4.76 0.15 -2.05 4.70 -2.24 -1.16 -4.82 114.28 104.10 2ksi n THR 76 Ca 0.20 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 2ksi n THR 76 Cb 0.46 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.13 0.42 0.26 3.38 0.00 0.11 -4.88 105.19 105.60 2ksi n GLY 77 Ca 0.17 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.56 -2.42 4.61 0.00 -0.82 -3.46 119.26 118.28 2ksi h ALA 78 Ca -0.42 -0.43 -0.46 0.00 0.00 0.00 0.00 54.91 53.61 2ksi h ALA 78 Cb 1.28 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 2ksi h ALA 78 CO 0.53 0.61 -0.75 -0.48 0.00 0.00 0.00 179.25 179.17 2ksi s LEU 79 N -8.96 2.52 0.02 0.00 0.05 -1.20 -5.05 118.68 106.06 2ksi s LEU 79 Ca -0.11 -0.97 -0.30 0.00 0.05 0.00 0.00 54.13 52.79 2ksi s LEU 79 Cb 0.11 -0.69 -0.06 0.00 -2.05 0.00 0.00 46.19 43.50 2ksi s LEU 79 CO 0.87 -0.14 1.44 -2.16 -0.55 0.00 0.00 176.35 175.80 2ksi s PRO 80 N -3.38 4.27 0.50 1.48 0.04 -1.26 -4.59 135.00 132.06 2ksi s PRO 80 Ca 0.20 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.49 2ksi s PRO 80 Cb -0.02 -3.55 1.33 0.00 0.04 0.00 0.00 34.50 32.30 2ksi s PRO 80 CO 0.06 -0.59 2.07 0.00 0.04 0.00 0.00 177.00 178.58 2ksi h ALA 81 N 7.82 1.48 0.27 8.56 0.00 -1.97 -1.90 119.26 133.53 2ksi h ALA 81 Ca -0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2ksi h ALA 81 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ksi h ALA 81 CO 0.90 0.16 -0.13 0.87 0.00 0.00 0.00 179.25 181.05 2ksi h LYS 82 N 0.00 -0.35 -0.80 0.00 1.57 -2.00 -3.03 116.57 111.97 2ksi h LYS 82 Ca -0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2ksi h LYS 82 Cb 0.28 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 2ksi h LYS 82 CO 0.02 -0.01 0.49 1.49 -0.57 0.00 0.00 179.45 180.86 2ksi h GLU 83 N -0.92 0.88 -0.37 3.15 4.81 -1.94 0.22 114.58 120.41 2ksi h GLU 83 Ca -0.04 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2ksi h GLU 83 Cb 0.50 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 2ksi h GLU 83 CO 0.06 0.58 -0.16 0.00 -0.73 0.00 0.00 179.01 178.77 2ksi h ALA 84 N 1.37 0.14 0.00 2.92 0.00 -1.41 -0.80 119.26 121.48 2ksi h ALA 84 Ca 0.34 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 2ksi h ALA 84 Cb 0.13 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ksi h ALA 84 CO -0.16 -0.53 -0.56 0.52 0.00 0.00 0.00 179.25 178.52 2ksi h MET 85 N -0.09 0.00 -0.29 0.00 2.86 -1.32 -3.04 114.93 113.05 2ksi h MET 85 Ca 0.18 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2ksi h MET 85 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2ksi h MET 85 CO -0.43 0.56 0.19 0.00 1.06 0.00 0.00 176.91 178.29 2ksi h ALA 86 N 1.44 1.86 -0.46 6.32 0.00 0.85 -0.94 119.26 128.32 2ksi h ALA 86 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 2ksi h ALA 86 Cb 1.24 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 2ksi h ALA 86 CO 0.07 0.12 0.28 1.04 0.00 0.00 0.00 179.25 180.76 2ksi n GLN 87 N -4.49 1.83 -2.24 0.00 6.02 -0.75 -4.84 117.38 112.91 2ksi n GLN 87 Ca 0.02 -1.51 -0.09 0.00 -0.01 0.00 0.00 57.00 55.41 2ksi n GLN 87 Cb 0.11 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 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 -0.22 -3.02 -0.32 1.08 8.00 -0.36 -4.76 116.55 116.94 2ksi n ASP 88 Ca 0.27 0.26 0.14 0.00 0.71 0.00 0.00 54.79 56.17 2ksi n ASP 88 Cb 1.03 -2.67 0.62 0.00 -0.02 0.00 0.00 41.12 40.08 2ksi n ASP 88 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2ksi n LYS 89 N -2.52 1.44 -3.57 -1.24 0.00 -1.15 -4.86 118.16 106.25 2ksi n LYS 89 Ca -0.11 -0.65 -0.16 0.00 0.00 0.00 0.00 58.31 57.40 2ksi n LYS 89 Cb 0.53 -1.46 -0.06 0.00 0.00 0.00 0.00 35.03 34.04 2ksi n LYS 89 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2ksi s MET 90 N -1.97 0.99 -0.27 1.64 -1.94 -1.26 -4.92 119.30 111.57 2ksi s MET 90 Ca 0.39 0.03 0.03 0.00 -1.71 0.00 0.00 55.69 54.42 2ksi s MET 90 Cb 0.20 0.46 0.07 0.00 2.01 0.00 0.00 34.83 37.57 2ksi s MET 90 CO 0.32 -0.32 -0.08 -1.21 -0.01 0.00 0.00 175.02 173.72 2ksi s GLU 91 N -1.63 2.05 -0.02 2.03 2.02 -1.26 -4.85 118.70 117.03 2ksi s GLU 91 Ca -0.10 -1.39 0.06 0.00 0.02 0.00 0.00 54.97 53.57 2ksi s GLU 91 Cb -0.01 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 2ksi s GLU 91 CO 0.05 -0.63 -0.21 0.54 0.02 0.00 0.00 175.26 175.02 2ksi s VAL 92 N 1.11 1.71 -0.18 2.63 0.11 -1.26 -3.17 120.40 121.34 2ksi s VAL 92 Ca -0.05 -0.92 -0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2ksi s VAL 92 Cb -0.20 -1.43 0.05 0.00 -1.53 0.00 0.00 36.38 33.28 2ksi s VAL 92 CO -0.06 0.48 -0.01 -1.81 -3.33 0.00 0.00 175.10 170.37 2ksi s ASP 93 N -0.42 2.98 0.00 3.54 1.01 -0.20 -5.03 116.67 118.55 2ksi s ASP 93 Ca 0.06 -0.79 0.00 0.00 0.71 0.00 0.00 52.55 52.53 2ksi s ASP 93 Cb -0.09 -0.81 0.00 0.00 1.01 0.00 0.00 42.92 43.03 2ksi s ASP 93 CO -0.00 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2ksi n GLY 94 N 4.92 1.77 3.64 0.21 0.00 -1.26 0.23 105.19 114.70 2ksi n GLY 94 Ca -0.10 -0.97 -0.48 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.71 1.99 -0.32 1.61 -0.06 -1.26 -4.82 117.38 113.80 2ksi n GLN 95 Ca 0.00 0.70 0.23 0.00 -2.00 0.00 0.00 57.00 55.93 2ksi n GLN 95 Cb 0.00 -2.66 0.45 0.00 -4.06 0.00 0.00 30.24 23.97 2ksi n GLN 95 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2ksi h VAL 96 N 5.84 0.16 -0.03 1.69 2.07 -1.99 0.32 116.25 124.30 2ksi h VAL 96 Ca -0.45 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2ksi h VAL 96 Cb 1.28 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2ksi h VAL 96 CO 0.96 0.03 -0.02 -0.33 0.02 0.00 0.00 177.57 178.22 2ksi h GLU 97 N 0.15 -0.03 -0.41 1.57 5.08 -1.96 0.28 114.58 119.26 2ksi h GLU 97 Ca 0.72 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.16 2ksi h GLU 97 Cb 1.69 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.85 2ksi h GLU 97 CO -0.72 -0.02 -0.33 -0.07 -1.00 0.00 0.00 179.01 176.87 2ksi h LEU 98 N -0.03 -1.11 -1.18 1.33 3.38 -0.72 0.25 115.31 117.22 2ksi h LEU 98 Ca 0.02 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2ksi h LEU 98 Cb 0.06 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2ksi h LEU 98 CO -0.05 -0.32 -0.17 0.16 0.09 0.00 0.00 178.44 178.14 2ksi h ILE 99 N -0.26 0.43 0.00 1.22 3.07 -1.32 -2.54 117.51 118.12 2ksi h ILE 99 Ca 0.17 -0.98 0.00 0.00 1.55 0.00 0.00 64.86 65.60 2ksi h ILE 99 Cb 0.54 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 2ksi h ILE 99 CO -0.55 0.17 0.00 0.33 -1.05 0.00 0.00 178.15 177.05 2ksi n PHE 100 N -3.33 0.80 0.05 0.16 7.35 0.96 -3.16 117.46 120.29 2ksi n PHE 100 Ca 0.00 0.26 -0.17 0.00 -0.76 0.00 0.00 57.45 56.78 2ksi n PHE 100 Cb 0.40 -0.92 -0.08 0.00 0.35 0.00 0.00 39.48 39.23 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 0.74 -0.14 -2.13 -0.00 -0.45 -3.13 115.31 110.20 2ksi h LEU 101 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.29 2ksi h LEU 101 Cb 0.58 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2ksi h LEU 101 CO 0.00 1.39 -0.10 0.18 -0.00 0.00 0.00 178.44 179.91 2ksi n LEU 102 N -3.80 0.32 0.19 1.67 4.32 -1.19 -3.95 117.00 114.55 2ksi n LEU 102 Ca -0.09 0.12 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 2ksi n LEU 102 Cb 0.86 -0.24 -0.08 0.00 -1.62 0.00 0.00 43.42 42.34 2ksi n LEU 102 CO 0.54 0.06 0.56 -0.33 -1.22 0.00 0.00 177.39 177.00 2ksi h GLU 103 N 0.34 -0.46 0.00 3.23 5.08 -1.49 -2.42 114.58 118.85 2ksi h GLU 103 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2ksi h GLU 103 Cb 0.37 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ksi h GLU 103 CO 0.00 -0.16 0.00 -0.35 -1.00 0.00 0.00 179.01 177.50 2ksi n PRO 104 N -5.18 0.08 0.03 2.33 -0.04 -1.25 -2.03 135.00 128.93 2ksi n PRO 104 Ca -0.10 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 2ksi n PRO 104 Cb 0.27 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.32 -0.30 0.54 3.01 -1.11 -4.21 117.46 114.28 2ksi n PHE 105 Ca 0.05 0.09 0.06 0.00 1.01 0.00 0.00 57.45 58.66 2ksi n PHE 105 Cb 0.15 -0.52 0.26 0.00 -0.01 0.00 0.00 39.48 39.36 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 1.01 -0.55 4.37 2.04 -0.91 -1.70 117.51 121.77 2ksi h ILE 106 Ca 0.00 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2ksi h ILE 106 Cb 0.82 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2ksi h ILE 106 CO 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 178.15 178.30 2ksi h ALA 107 N 1.53 0.74 -0.94 1.87 0.00 -1.75 -2.82 119.26 117.89 2ksi h ALA 107 Ca 0.41 -0.31 0.24 0.00 0.00 0.00 0.00 54.91 55.25 2ksi h ALA 107 Cb 0.31 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2ksi h ALA 107 CO -0.17 0.59 0.64 1.03 0.00 0.00 0.00 179.25 181.34 2ksi h SER 108 N 0.87 0.25 -3.01 0.00 0.87 -1.52 -3.42 113.55 107.59 2ksi h SER 108 Ca 0.15 0.03 -0.44 0.00 -1.23 0.00 0.00 61.79 60.31 2ksi h SER 108 Cb 0.58 -0.01 0.22 0.00 -0.44 0.00 0.00 62.40 62.75 2ksi h SER 108 CO 0.03 0.08 -0.22 0.18 -0.53 0.00 0.00 176.83 176.38 2ksi n LEU 109 N -4.43 -1.79 -0.13 2.23 4.77 -1.06 -5.00 117.00 111.59 2ksi n LEU 109 Ca 0.20 -0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2ksi n LEU 109 Cb 0.85 -1.20 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 2ksi n LEU 109 CO 0.33 -3.30 0.30 0.29 -1.33 0.00 0.00 177.39 173.68