#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 6.75 -0.09 7.83 1.04 -1.26 -5.05 113.70 122.93 2ksi s SER 2 Ca 0.00 1.61 -0.16 0.00 0.48 0.00 0.00 55.95 57.88 2ksi s SER 2 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 2ksi s SER 2 CO 0.00 -0.49 0.42 -0.76 0.98 0.00 0.00 173.24 173.39 2ksi s LEU 3 N -3.70 4.33 0.47 2.42 1.43 -1.26 -4.95 118.68 117.43 2ksi s LEU 3 Ca 0.60 0.81 0.32 0.00 -1.03 0.00 0.00 54.13 54.84 2ksi s LEU 3 Cb -0.10 -2.61 1.44 0.00 0.03 0.00 0.00 46.19 44.96 2ksi s LEU 3 CO 0.24 0.12 1.67 0.11 0.23 0.00 0.00 176.35 178.72 2ksi h LYS 4 N 6.07 0.11 -1.00 1.70 6.56 -1.98 0.47 116.57 128.50 2ksi h LYS 4 Ca -0.44 -0.01 0.29 0.00 -1.06 0.00 0.00 60.65 59.43 2ksi h LYS 4 Cb 1.19 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.78 2ksi h LYS 4 CO 0.71 0.07 0.93 0.77 -2.06 0.00 0.00 179.45 179.88 2ksi h SER 5 N 0.11 0.00 -0.47 0.86 0.02 -1.92 0.19 113.55 112.34 2ksi h SER 5 Ca 0.76 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.79 2ksi h SER 5 Cb 2.52 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 65.00 2ksi h SER 5 CO -0.27 0.00 0.08 -2.24 -1.14 0.00 0.00 176.83 173.26 2ksi h ASP 6 N 0.00 -0.03 -0.96 3.07 2.03 -0.44 -0.79 116.42 119.30 2ksi h ASP 6 Ca 0.48 0.09 0.18 0.00 -0.73 0.00 0.00 57.03 57.04 2ksi h ASP 6 Cb 2.34 0.13 -0.09 0.00 -0.83 0.00 0.00 39.33 40.87 2ksi h ASP 6 CO -0.01 0.02 0.61 -0.08 -1.03 0.00 0.00 179.24 178.75 2ksi h GLU 7 N 0.21 0.66 0.38 4.15 4.57 -0.82 -2.10 114.58 121.63 2ksi h GLU 7 Ca 0.23 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2ksi h GLU 7 Cb 0.31 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 2ksi h GLU 7 CO -0.32 0.44 -0.43 0.28 -1.18 0.00 0.00 179.01 177.80 2ksi h VAL 8 N 0.68 0.13 -0.81 0.32 2.07 -1.25 0.30 116.25 117.69 2ksi h VAL 8 Ca 0.52 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.19 2ksi h VAL 8 Cb 0.91 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 2ksi h VAL 8 CO -0.28 0.00 0.38 -0.26 0.02 0.00 0.00 177.57 177.43 2ksi h PHE 9 N -0.85 0.66 -0.38 1.57 0.04 -1.32 -0.31 116.94 116.35 2ksi h PHE 9 Ca -0.03 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2ksi h PHE 9 Cb 0.77 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 2ksi h PHE 9 CO -0.25 0.12 0.03 0.00 -0.60 0.00 0.00 178.31 177.61 2ksi h ALA 10 N 1.57 0.51 0.03 2.45 0.00 -1.05 -2.38 119.26 120.38 2ksi h ALA 10 Ca 0.45 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2ksi h ALA 10 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2ksi h ALA 10 CO -0.39 0.24 -0.09 0.87 0.00 0.00 0.00 179.25 179.88 2ksi h LYS 11 N 0.48 -0.17 0.05 0.00 1.79 0.92 0.11 116.57 119.75 2ksi h LYS 11 Ca 0.11 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2ksi h LYS 11 Cb 0.41 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2ksi h LYS 11 CO 0.01 -0.11 -0.25 0.82 -1.08 0.00 0.00 179.45 178.84 2ksi h ILE 12 N -0.17 0.43 0.34 1.86 2.04 -1.09 0.38 117.51 121.30 2ksi h ILE 12 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2ksi h ILE 12 Cb 0.20 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2ksi h ILE 12 CO -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.79 2ksi h ALA 13 N 0.38 -0.65 -0.32 1.87 0.00 -1.27 0.37 119.26 119.63 2ksi h ALA 13 Ca 0.05 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2ksi h ALA 13 Cb 0.48 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ksi h ALA 13 CO -0.19 -0.89 0.22 -0.22 0.00 0.00 0.00 179.25 178.17 2ksi h LYS 14 N -0.65 0.11 0.06 0.00 3.64 -0.60 -1.08 116.57 118.06 2ksi h LYS 14 Ca -0.02 -0.01 -0.26 0.00 -1.27 0.00 0.00 60.65 59.09 2ksi h LYS 14 Cb 0.58 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2ksi h LYS 14 CO -0.03 0.07 -1.11 0.00 -2.27 0.00 0.00 179.45 176.11 2ksi h ARG 15 N 0.11 0.48 0.00 1.90 2.47 0.54 -3.18 114.38 116.71 2ksi h ARG 15 Ca 0.15 -0.60 -0.01 0.00 -1.26 0.00 0.00 59.98 58.26 2ksi h ARG 15 Cb 0.44 0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.95 2ksi h ARG 15 CO -0.02 1.24 -0.03 1.37 0.56 0.00 0.00 179.97 183.09 2ksi h LEU 16 N 0.23 0.00 -0.89 3.04 8.10 0.90 -2.57 115.31 124.13 2ksi h LEU 16 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.86 2ksi h LEU 16 Cb 1.77 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.99 2ksi h LEU 16 CO 0.20 0.03 0.00 -0.62 -4.11 0.00 0.00 178.44 173.94 2ksi n GLU 17 N -3.14 0.14 0.19 0.17 1.02 -0.58 -1.48 120.64 116.96 2ksi n GLU 17 Ca 0.00 0.51 0.14 0.00 -0.02 0.00 0.00 57.16 57.79 2ksi n GLU 17 Cb 0.31 -1.85 0.47 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.00 -1.80 1.62 0.87 -1.63 -3.46 113.55 109.16 2ksi h SER 18 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 2ksi h SER 18 Cb 0.17 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.23 2ksi h SER 18 CO 0.00 0.00 0.01 -0.38 -0.53 0.00 0.00 176.83 175.93 2ksi n ILE 19 N -2.68 1.45 -4.71 2.23 5.41 -0.55 -4.97 119.36 115.54 2ksi n ILE 19 Ca 0.03 -0.36 -0.31 0.00 1.00 0.00 0.00 62.75 63.10 2ksi n ILE 19 Cb 0.36 -0.61 -0.13 0.00 -0.71 0.00 0.00 39.64 38.55 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 -0.43 3.91 0.00 4.38 1.11 -1.26 -5.01 116.67 119.37 2ksi s ASP 20 Ca 0.68 -0.35 0.14 0.00 0.18 0.00 0.00 52.55 53.20 2ksi s ASP 20 Cb -0.86 -0.70 0.68 0.00 1.07 0.00 0.00 42.92 43.11 2ksi s ASP 20 CO 0.56 0.28 1.43 -0.81 1.18 0.00 0.00 175.17 177.81 2ksi n PRO 21 N 1.74 0.12 0.00 8.23 -0.04 -1.26 -2.14 135.00 141.64 2ksi n PRO 21 Ca -0.16 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.64 2ksi n PRO 21 Cb 0.52 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.10 2ksi n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksi n ALA 22 N -1.38 2.75 -3.15 0.55 0.00 -1.26 -4.74 120.51 113.27 2ksi n ALA 22 Ca 0.05 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.28 2ksi n ALA 22 Cb 0.14 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.43 -0.02 0.53 0.00 2.47 -0.91 -5.18 114.94 109.40 2ksi s ASN 23 Ca 0.30 0.01 0.09 0.00 0.42 0.00 0.00 52.86 53.68 2ksi s ASN 23 Cb 0.20 1.02 0.06 0.00 -1.45 0.00 0.00 41.25 41.08 2ksi s ASN 23 CO 0.46 -0.00 0.66 -0.13 -3.72 0.00 0.00 177.10 174.37 2ksi s ARG 24 N 3.00 2.40 -0.14 0.43 1.81 -1.25 -4.32 118.95 120.88 2ksi s ARG 24 Ca 0.01 -1.63 -0.06 0.00 -1.72 0.00 0.00 55.73 52.34 2ksi s ARG 24 Cb -0.06 -2.56 -0.06 0.00 -0.45 0.00 0.00 34.95 31.82 2ksi s ARG 24 CO -0.11 -0.67 -0.17 0.94 -0.68 0.00 0.00 175.30 174.61 2ksi n GLN 25 N -2.05 0.30 0.00 3.54 -0.06 -1.26 -5.09 117.38 112.76 2ksi n GLN 25 Ca 0.11 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 2ksi n GLN 25 Cb 0.62 -1.03 0.00 0.00 -4.06 0.00 0.00 30.24 25.76 2ksi n GLN 25 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2ksi n VAL 26 N -3.51 0.00 -3.61 1.69 3.14 -1.26 -5.15 118.33 109.64 2ksi n VAL 26 Ca -0.27 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.74 2ksi n VAL 26 Cb 0.70 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.38 2ksi n VAL 26 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ksi s GLU 27 N 0.00 4.05 0.09 1.45 2.02 -1.26 -5.04 118.70 120.01 2ksi s GLU 27 Ca 0.00 -0.23 -0.25 0.00 0.02 0.00 0.00 54.97 54.51 2ksi s GLU 27 Cb 0.00 -3.57 0.09 0.00 0.10 0.00 0.00 34.13 30.74 2ksi s GLU 27 CO 0.00 -0.02 1.15 -1.01 0.02 0.00 0.00 175.26 175.40 2ksi s HIS 28 N 1.29 0.05 -0.16 1.61 3.76 -1.26 -5.15 115.29 115.44 2ksi s HIS 28 Ca 0.09 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.61 2ksi s HIS 28 Cb -0.14 0.64 -0.04 0.00 1.11 0.00 0.00 32.58 34.15 2ksi s HIS 28 CO 0.07 -0.63 0.06 0.08 -0.85 0.00 0.00 174.74 173.46 2ksi s VAL 29 N -2.08 4.77 0.40 -0.90 1.01 -1.26 -4.42 120.40 117.92 2ksi s VAL 29 Ca 0.25 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.26 2ksi s VAL 29 Cb -0.02 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 2ksi s VAL 29 CO 0.03 0.51 0.08 -0.31 0.00 0.00 0.00 175.10 175.40 2ksi s TYR 30 N -0.01 2.56 -0.02 5.22 1.51 -1.26 -2.72 117.35 122.63 2ksi s TYR 30 Ca 0.06 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 2ksi s TYR 30 Cb -0.12 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2ksi s TYR 30 CO 0.01 0.35 0.00 0.21 -1.11 0.00 0.00 175.55 175.01 2ksi s LYS 31 N -3.79 0.20 -0.17 -0.62 2.20 -0.71 -3.42 119.74 113.43 2ksi s LYS 31 Ca 0.37 0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 56.05 2ksi s LYS 31 Cb 0.06 -0.36 0.04 0.00 -1.51 0.00 0.00 37.83 36.06 2ksi s LYS 31 CO 0.20 -0.10 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.96 2ksi s PHE 32 N 0.78 1.87 -0.13 4.03 0.40 0.10 -0.14 117.98 124.90 2ksi s PHE 32 Ca -0.07 -1.20 -0.12 0.00 -0.60 0.00 0.00 56.93 54.93 2ksi s PHE 32 Cb -0.11 -1.40 -0.05 0.00 0.51 0.00 0.00 43.02 41.98 2ksi s PHE 32 CO -0.02 -0.65 0.27 0.50 0.70 0.00 0.00 175.22 176.03 2ksi s ARG 33 N 1.58 4.04 -0.27 0.44 3.52 -0.76 0.15 118.95 127.65 2ksi s ARG 33 Ca 0.00 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.67 2ksi s ARG 33 Cb -0.15 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.93 2ksi s ARG 33 CO -0.08 0.43 -0.04 0.42 -0.81 0.00 0.00 175.30 175.22 2ksi s ILE 34 N -0.10 2.87 -0.07 4.11 -1.09 -0.71 -2.56 121.20 123.65 2ksi s ILE 34 Ca 0.17 -1.23 0.01 0.00 -2.23 0.00 0.00 60.65 57.37 2ksi s ILE 34 Cb -0.13 -2.56 -0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2ksi s ILE 34 CO 0.05 0.05 -0.09 0.42 -1.23 0.00 0.00 174.94 174.14 2ksi s THR 35 N 1.28 3.52 -0.56 2.92 -4.23 -1.25 -0.41 115.64 116.90 2ksi s THR 35 Ca -0.03 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 2ksi s THR 35 Cb -0.18 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.36 2ksi s THR 35 CO -0.03 0.59 0.49 0.00 -0.54 0.00 0.00 174.62 175.13 2ksi s GLN 36 N -0.65 2.91 0.00 3.99 -2.07 0.17 -2.61 119.66 121.41 2ksi s GLN 36 Ca 0.10 -1.87 0.00 0.00 -1.82 0.00 0.00 55.36 51.77 2ksi s GLN 36 Cb -0.11 -4.19 0.00 0.00 -1.09 0.00 0.00 33.01 27.62 2ksi s GLN 36 CO 0.02 -1.28 0.00 0.41 -1.32 0.00 0.00 175.29 173.12 2ksi n GLY 37 N 4.90 1.77 0.00 2.60 0.00 -1.26 -3.56 105.19 109.63 2ksi n GLY 37 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.00 3.97 -0.02 0.00 -1.26 -5.14 105.19 102.73 2ksi n GLY 38 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.69 3.33 -0.25 1.61 -0.14 -1.23 -5.01 119.74 117.37 2ksi s LYS 39 Ca 0.00 -0.67 -0.27 0.00 -1.36 0.00 0.00 55.97 53.67 2ksi s LYS 39 Cb 0.00 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 2ksi s LYS 39 CO 0.00 0.19 0.94 0.08 -0.76 0.00 0.00 175.35 175.80 2ksi s VAL 40 N -2.18 4.73 -0.03 3.17 1.01 -1.26 0.46 120.40 126.31 2ksi s VAL 40 Ca 0.40 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 64.13 2ksi s VAL 40 Cb -0.09 -4.23 -0.27 0.00 0.00 0.00 0.00 36.38 31.79 2ksi s VAL 40 CO 0.32 -0.17 0.74 1.62 0.00 0.00 0.00 175.10 177.61 2ksi h VAL 41 N 5.48 1.01 -1.18 2.92 3.04 -1.06 -3.46 116.25 122.99 2ksi h VAL 41 Ca -0.21 -2.70 0.21 0.00 -1.01 0.00 0.00 66.70 62.99 2ksi h VAL 41 Cb 1.08 2.66 -0.26 0.00 -2.01 0.00 0.00 31.29 32.75 2ksi h VAL 41 CO 0.94 0.78 0.86 -0.75 -1.01 0.00 0.00 177.57 178.39 2ksi s LYS 42 N -2.60 0.19 0.52 4.17 2.47 -1.04 -5.07 119.74 118.38 2ksi s LYS 42 Ca -0.11 0.04 -0.02 0.00 -1.56 0.00 0.00 55.97 54.33 2ksi s LYS 42 Cb 0.07 0.09 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 2ksi s LYS 42 CO 0.83 -0.06 0.77 -0.80 0.16 0.00 0.00 175.35 176.25 2ksi s ASN 43 N -1.06 5.64 -0.00 1.43 0.01 -1.26 -1.75 114.94 117.95 2ksi s ASN 43 Ca 0.06 0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 52.60 2ksi s ASN 43 Cb -0.01 -1.49 -0.00 0.00 0.41 0.00 0.00 41.25 40.16 2ksi s ASN 43 CO -0.06 -0.91 0.02 0.26 -1.51 0.00 0.00 177.10 174.90 2ksi s TRP 44 N -2.75 0.04 0.00 2.20 0.51 0.41 -3.17 118.94 116.19 2ksi s TRP 44 Ca 0.52 -0.08 0.07 0.00 -2.12 0.00 0.00 56.10 54.48 2ksi s TRP 44 Cb -0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 33.47 32.50 2ksi s TRP 44 CO 0.41 -0.07 -0.21 0.08 -0.51 0.00 0.00 176.95 176.65 2ksi s VAL 45 N -0.42 1.63 -0.52 4.03 1.01 0.12 0.02 120.40 126.29 2ksi s VAL 45 Ca -0.05 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 2ksi s VAL 45 Cb -0.03 -1.38 0.13 0.00 0.00 0.00 0.00 36.38 35.10 2ksi s VAL 45 CO -0.00 0.38 0.46 -0.04 0.00 0.00 0.00 175.10 175.89 2ksi s MET 46 N -0.70 2.84 -1.14 2.72 -1.94 -1.22 -1.94 119.30 117.92 2ksi s MET 46 Ca 0.08 -1.72 -0.20 0.00 -1.71 0.00 0.00 55.69 52.14 2ksi s MET 46 Cb -0.08 -4.19 0.07 0.00 2.01 0.00 0.00 34.83 32.64 2ksi s MET 46 CO 0.00 -1.29 1.55 -0.51 -0.01 0.00 0.00 175.02 174.76 2ksi s ASP 47 N 3.33 6.69 0.00 3.03 1.11 0.97 -3.99 116.67 127.81 2ksi s ASP 47 Ca 0.04 -2.02 0.24 0.00 0.18 0.00 0.00 52.55 50.99 2ksi s ASP 47 Cb -0.29 -2.55 1.10 0.00 1.07 0.00 0.00 42.92 42.25 2ksi s ASP 47 CO 0.02 -1.28 1.77 0.18 1.18 0.00 0.00 175.17 177.04 2ksi n LEU 48 N 8.30 0.00 -0.07 1.23 4.32 -1.26 -0.86 117.00 128.66 2ksi n LEU 48 Ca 0.39 0.40 -0.08 0.00 -0.02 0.00 0.00 56.01 56.70 2ksi n LEU 48 Cb 0.48 -0.40 -0.05 0.00 -1.62 0.00 0.00 43.42 41.83 2ksi n LEU 48 CO 0.69 -0.08 -0.11 0.11 -1.22 0.00 0.00 177.39 176.78 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.87 -3.36 116.57 116.14 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 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2ksi h LYS 49 CO 0.00 0.41 -0.11 0.09 -0.57 0.00 0.00 179.45 179.27 2ksi n ASN 50 N -4.63 0.36 -2.24 0.86 3.02 -1.24 -4.93 115.26 106.46 2ksi n ASN 50 Ca -0.10 -0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 53.96 2ksi n ASN 50 Cb 0.31 -0.12 0.05 0.00 -0.61 0.00 0.00 39.78 39.40 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2ksi n VAL 51 N -1.09 -2.82 -3.96 2.41 0.31 -0.47 -5.05 118.33 107.66 2ksi n VAL 51 Ca 0.13 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2ksi n VAL 51 Cb 0.28 -3.61 -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 -0.75 -1.32 0.00 0.00 176.83 174.76 2ksi s LYS 52 N -4.91 1.24 -0.32 5.55 2.20 -0.04 -4.80 119.74 118.65 2ksi s LYS 52 Ca 0.06 -1.18 0.02 0.00 -0.36 0.00 0.00 55.97 54.51 2ksi s LYS 52 Cb -0.03 0.40 0.10 0.00 -1.51 0.00 0.00 37.83 36.79 2ksi s LYS 52 CO 0.38 -0.47 0.06 -0.51 -0.36 0.00 0.00 175.35 174.46 2ksi s LEU 53 N -2.98 3.74 0.59 5.43 1.02 -1.26 -0.02 118.68 125.20 2ksi s LEU 53 Ca 0.18 -1.92 0.06 0.00 0.02 0.00 0.00 54.13 52.48 2ksi s LEU 53 Cb 0.03 -1.33 0.09 0.00 0.02 0.00 0.00 46.19 44.99 2ksi s LEU 53 CO 0.02 -0.39 0.82 0.68 0.02 0.00 0.00 176.35 177.50 2ksi s VAL 54 N 1.19 2.27 -0.29 -1.59 -7.23 -0.82 -4.92 120.40 109.01 2ksi s VAL 54 Ca 0.10 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 2ksi s VAL 54 Cb -0.18 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.38 2ksi s VAL 54 CO -0.14 0.00 0.05 -1.83 -0.31 0.00 0.00 175.10 172.87 2ksi s GLU 55 N -4.76 2.97 0.10 4.82 -1.05 -1.26 0.16 118.70 119.68 2ksi s GLU 55 Ca 0.62 -0.93 -0.26 0.00 -0.15 0.00 0.00 54.97 54.25 2ksi s GLU 55 Cb -0.06 -3.30 0.08 0.00 -0.44 0.00 0.00 34.13 30.40 2ksi s GLU 55 CO 0.40 -0.46 0.97 -1.12 0.95 0.00 0.00 175.26 175.99 2ksi s SER 56 N 1.45 -0.21 -0.16 0.83 0.01 -1.19 -4.83 113.70 109.59 2ksi s SER 56 Ca 0.01 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2ksi s SER 56 Cb -0.17 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.52 2ksi s SER 56 CO 0.01 -0.78 -0.11 -0.62 0.41 0.00 0.00 173.24 172.15 2ksi s ASP 57 N -2.82 2.90 0.15 2.44 2.15 -1.26 -2.72 116.67 117.50 2ksi s ASP 57 Ca 0.11 -0.63 -0.12 0.00 0.43 0.00 0.00 52.55 52.34 2ksi s ASP 57 Cb -0.01 -1.13 0.01 0.00 -0.30 0.00 0.00 42.92 41.50 2ksi s ASP 57 CO -0.01 -0.11 0.34 -1.81 -0.17 0.00 0.00 175.17 173.41 2ksi s ASP 58 N 1.50 -0.06 -0.87 -0.34 1.11 -1.26 -5.09 116.67 111.66 2ksi s ASP 58 Ca 0.02 -0.64 -0.25 0.00 0.18 0.00 0.00 52.55 51.86 2ksi s ASP 58 Cb -0.14 0.45 -0.02 0.00 1.07 0.00 0.00 42.92 44.29 2ksi s ASP 58 CO -0.09 -0.89 1.77 0.00 1.18 0.00 0.00 175.17 177.14 2ksi s ALA 59 N -3.90 2.06 0.37 5.23 0.00 -1.26 -4.91 121.76 119.35 2ksi s ALA 59 Ca 0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 2ksi s ALA 59 Cb 0.02 -4.49 -0.04 0.00 0.00 0.00 0.00 23.12 18.62 2ksi s ALA 59 CO -0.05 -4.29 0.61 0.00 0.00 0.00 0.00 175.76 172.03 2ksi s ALA 60 N 8.47 3.61 0.45 0.00 0.00 -1.26 -4.98 121.76 128.05 2ksi s ALA 60 Ca 0.62 -0.75 0.32 0.00 0.00 0.00 0.00 51.96 52.14 2ksi s ALA 60 Cb -0.06 -2.26 1.67 0.00 0.00 0.00 0.00 23.12 22.46 2ksi s ALA 60 CO 0.02 -0.06 2.14 1.49 0.00 0.00 0.00 175.76 179.35 2ksi h GLU 61 N 0.77 0.00 -3.46 0.00 4.22 -1.88 -3.41 114.58 110.82 2ksi h GLU 61 Ca -0.49 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.59 2ksi h GLU 61 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 2ksi h GLU 61 CO 0.62 0.07 -0.74 0.00 -2.18 0.00 0.00 179.01 176.78 2ksi s ALA 62 N -4.18 0.27 -0.22 2.92 0.00 -1.24 -4.68 121.76 114.62 2ksi s ALA 62 Ca -0.03 0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.01 2ksi s ALA 62 Cb 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2ksi s ALA 62 CO 0.54 -0.34 0.11 0.99 0.00 0.00 0.00 175.76 177.06 2ksi s THR 63 N 1.74 5.03 -0.29 0.00 2.01 0.21 -1.75 115.64 122.60 2ksi s THR 63 Ca -0.00 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.08 2ksi s THR 63 Cb -0.12 -3.32 0.08 0.00 0.01 0.00 0.00 72.50 69.15 2ksi s THR 63 CO -0.03 0.39 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.51 2ksi s LEU 64 N 0.87 3.69 -0.22 4.42 1.02 0.79 -0.26 118.68 129.00 2ksi s LEU 64 Ca 0.06 -1.68 -0.10 0.00 0.02 0.00 0.00 54.13 52.42 2ksi s LEU 64 Cb -0.13 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.58 2ksi s LEU 64 CO 0.03 -0.30 0.15 -0.89 0.02 0.00 0.00 176.35 175.36 2ksi s THR 65 N 1.13 5.38 -0.16 5.49 2.01 -1.02 -1.82 115.64 126.64 2ksi s THR 65 Ca 0.01 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 2ksi s THR 65 Cb -0.19 -3.49 0.05 0.00 0.01 0.00 0.00 72.50 68.88 2ksi s THR 65 CO -0.08 0.39 0.49 -0.04 -0.69 0.00 0.00 174.62 174.69 2ksi s MET 66 N 0.73 0.62 0.58 4.92 -1.94 -1.06 -3.67 119.30 119.47 2ksi s MET 66 Ca 0.08 0.59 -0.15 0.00 -1.71 0.00 0.00 55.69 54.50 2ksi s MET 66 Cb -0.12 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 36.97 2ksi s MET 66 CO 0.02 -0.10 1.03 -1.21 -0.01 0.00 0.00 175.02 174.75 2ksi s GLU 67 N 0.03 3.53 0.18 2.03 0.41 -1.26 -3.81 118.70 119.81 2ksi s GLU 67 Ca -0.02 1.04 -0.20 0.00 -0.41 0.00 0.00 54.97 55.38 2ksi s GLU 67 Cb -0.03 -2.07 0.11 0.00 -1.78 0.00 0.00 34.13 30.35 2ksi s GLU 67 CO 0.02 -0.63 1.61 0.22 -0.49 0.00 0.00 175.26 175.99 2ksi h ASP 68 N 0.41 -0.93 -0.97 -0.19 3.58 -1.86 0.29 116.42 116.76 2ksi h ASP 68 Ca -0.46 0.19 0.24 0.00 0.42 0.00 0.00 57.03 57.42 2ksi h ASP 68 Cb 1.20 0.47 -0.07 0.00 1.72 0.00 0.00 39.33 42.65 2ksi h ASP 68 CO 0.59 -0.28 0.65 -2.24 -2.88 0.00 0.00 179.24 175.08 2ksi h ASP 69 N -0.17 0.32 1.56 2.28 3.04 -1.93 0.72 116.42 122.23 2ksi h ASP 69 Ca 0.21 0.04 -0.05 0.00 -3.24 0.00 0.00 57.03 53.99 2ksi h ASP 69 Cb 0.51 -0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 38.78 2ksi h ASP 69 CO -0.56 0.10 -0.24 0.40 -2.04 0.00 0.00 179.24 176.90 2ksi h ILE 70 N 0.30 0.43 0.10 4.15 1.08 -0.84 -2.97 117.51 119.76 2ksi h ILE 70 Ca 0.51 -1.47 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 2ksi h ILE 70 Cb 1.46 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 37.30 2ksi h ILE 70 CO -0.17 0.23 -0.05 -0.03 -0.69 0.00 0.00 178.15 177.44 2ksi h MET 71 N 0.00 -0.12 0.00 2.37 4.05 0.17 0.16 114.93 121.56 2ksi h MET 71 Ca -0.00 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 2ksi h MET 71 Cb 1.08 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 2ksi h MET 71 CO 0.03 0.06 -0.53 0.27 0.23 0.00 0.00 176.91 176.97 2ksi h PHE 72 N -0.29 0.00 0.44 1.39 -5.15 -1.60 0.26 116.94 111.99 2ksi h PHE 72 Ca -0.01 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.74 2ksi h PHE 72 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.42 2ksi h PHE 72 CO -0.02 0.53 -0.21 0.00 -2.00 0.00 0.00 178.31 176.61 2ksi h ALA 73 N 1.47 -0.59 -0.22 12.09 0.00 -1.35 -2.83 119.26 127.83 2ksi h ALA 73 Ca -0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 2ksi h ALA 73 Cb 0.99 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ksi h ALA 73 CO 0.07 -0.55 -0.32 0.82 0.00 0.00 0.00 179.25 179.28 2ksi h ILE 74 N -1.16 1.32 -0.94 0.00 2.04 -0.75 0.22 117.51 118.24 2ksi h ILE 74 Ca -0.06 -1.52 0.16 0.00 1.00 0.00 0.00 64.86 64.44 2ksi h ILE 74 Cb 0.45 1.77 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 2ksi h ILE 74 CO 0.10 0.47 0.60 1.23 0.00 0.00 0.00 178.15 180.55 2ksi h GLY 75 N 0.30 1.37 -1.48 5.37 0.00 -0.61 0.29 103.07 108.32 2ksi h GLY 75 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2ksi h GLY 75 CO 0.07 0.05 0.00 -1.30 0.00 0.00 0.00 176.54 175.37 2ksi n THR 76 N -4.61 0.39 -2.25 4.70 -2.24 -1.07 -4.49 114.28 104.72 2ksi n THR 76 Ca 0.19 -0.53 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 2ksi n THR 76 Cb 0.51 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.03 0.23 3.38 0.00 0.10 -4.87 105.19 105.26 2ksi n GLY 77 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 0.82 0.33 -3.28 4.61 0.00 -0.80 -3.46 119.26 117.48 2ksi h ALA 78 Ca -0.47 -0.59 -0.64 0.00 0.00 0.00 0.00 54.91 53.20 2ksi h ALA 78 Cb 1.36 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.93 2ksi h ALA 78 CO 0.58 0.68 -0.83 -0.51 0.00 0.00 0.00 179.25 179.18 2ksi s LEU 79 N -8.45 2.41 0.02 0.00 1.43 -1.20 -5.04 118.68 107.86 2ksi s LEU 79 Ca -0.10 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.85 2ksi s LEU 79 Cb 0.09 -1.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 2ksi s LEU 79 CO 0.90 0.11 1.43 -2.16 0.23 0.00 0.00 176.35 176.86 2ksi s PRO 80 N -2.56 4.28 0.46 1.29 0.04 -1.26 -4.62 135.00 132.63 2ksi s PRO 80 Ca 0.18 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.42 2ksi s PRO 80 Cb -0.08 -3.53 1.10 0.00 0.04 0.00 0.00 34.50 32.03 2ksi s PRO 80 CO 0.09 -0.57 2.01 0.00 0.04 0.00 0.00 177.00 178.57 2ksi h ALA 81 N 7.74 1.62 0.28 8.56 0.00 -1.98 -0.50 119.26 134.97 2ksi h ALA 81 Ca -0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2ksi h ALA 81 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2ksi h ALA 81 CO 0.90 0.21 -0.13 -0.22 0.00 0.00 0.00 179.25 180.01 2ksi h LYS 82 N 0.00 -0.36 -0.55 0.00 3.64 -1.99 -2.86 116.57 114.45 2ksi h LYS 82 Ca -0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ksi h LYS 82 Cb 0.32 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2ksi h LYS 82 CO 0.02 -0.03 0.34 1.49 -2.27 0.00 0.00 179.45 179.01 2ksi h GLU 83 N -0.93 0.74 -0.35 1.90 4.57 -1.95 0.29 114.58 118.85 2ksi h GLU 83 Ca -0.04 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.16 2ksi h GLU 83 Cb 0.50 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.85 2ksi h GLU 83 CO 0.06 0.52 -0.20 0.00 -1.18 0.00 0.00 179.01 178.21 2ksi h ALA 84 N 1.17 0.04 0.00 2.92 0.00 -1.18 -0.66 119.26 121.56 2ksi h ALA 84 Ca 0.20 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2ksi h ALA 84 Cb -0.04 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ksi h ALA 84 CO -0.04 -0.58 -0.50 0.52 0.00 0.00 0.00 179.25 178.65 2ksi h MET 85 N -0.15 0.00 -0.38 0.00 2.86 -1.29 -3.15 114.93 112.82 2ksi h MET 85 Ca 0.18 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2ksi h MET 85 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2ksi h MET 85 CO -0.44 0.50 0.25 0.00 1.06 0.00 0.00 176.91 178.28 2ksi h ALA 86 N 1.50 1.81 -0.27 6.32 0.00 0.11 -0.98 119.26 127.75 2ksi h ALA 86 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2ksi h ALA 86 Cb 1.17 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 2ksi h ALA 86 CO 0.06 0.15 0.16 1.04 0.00 0.00 0.00 179.25 180.66 2ksi n GLN 87 N -4.48 1.53 -2.26 0.00 6.02 -0.76 -4.82 117.38 112.61 2ksi n GLN 87 Ca 0.03 -0.90 -0.07 0.00 -0.01 0.00 0.00 57.00 56.05 2ksi n GLN 87 Cb 0.12 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 2ksi n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ksi n ASP 88 N 0.05 -2.61 -0.65 1.08 -0.08 -0.37 -4.75 116.55 109.21 2ksi n ASP 88 Ca 0.16 0.30 0.12 0.00 -1.51 0.00 0.00 54.79 53.86 2ksi n ASP 88 Cb 0.79 -2.33 0.38 0.00 2.34 0.00 0.00 41.12 42.29 2ksi n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ksi n LYS 89 N -2.49 1.87 -3.75 -0.67 4.76 -1.22 -4.88 118.16 111.78 2ksi n LYS 89 Ca -0.09 -1.29 -0.13 0.00 -2.87 0.00 0.00 58.31 53.93 2ksi n LYS 89 Cb 0.51 -1.45 -0.09 0.00 -1.84 0.00 0.00 35.03 32.16 2ksi n LYS 89 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2ksi s MET 90 N -1.86 0.60 -0.26 1.97 -1.94 -1.26 -4.87 119.30 111.67 2ksi s MET 90 Ca 0.35 0.08 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 2ksi s MET 90 Cb 0.20 0.27 0.07 0.00 2.01 0.00 0.00 34.83 37.38 2ksi s MET 90 CO 0.30 -0.14 -0.07 -1.83 -0.01 0.00 0.00 175.02 173.27 2ksi s GLU 91 N -0.77 1.91 -0.00 2.03 -1.05 -1.24 -4.86 118.70 114.72 2ksi s GLU 91 Ca -0.09 -1.29 0.07 0.00 -0.15 0.00 0.00 54.97 53.51 2ksi s GLU 91 Cb -0.04 -2.81 -0.02 0.00 -0.44 0.00 0.00 34.13 30.82 2ksi s GLU 91 CO 0.03 -0.63 -0.22 0.54 0.95 0.00 0.00 175.26 175.93 2ksi s VAL 92 N 1.18 1.76 -0.17 1.83 0.11 -1.26 -2.43 120.40 121.42 2ksi s VAL 92 Ca -0.05 -1.02 -0.02 0.00 -2.93 0.00 0.00 61.98 57.96 2ksi s VAL 92 Cb -0.19 -1.48 0.05 0.00 -1.53 0.00 0.00 36.38 33.23 2ksi s VAL 92 CO -0.06 0.43 0.00 -1.81 -3.33 0.00 0.00 175.10 170.33 2ksi s ASP 93 N -0.69 2.78 0.00 3.54 1.01 0.64 -5.00 116.67 118.95 2ksi s ASP 93 Ca 0.09 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 52.64 2ksi s ASP 93 Cb -0.09 -0.71 0.00 0.00 1.01 0.00 0.00 42.92 43.14 2ksi s ASP 93 CO -0.00 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 175.74 2ksi n GLY 94 N 4.98 1.59 3.64 0.21 0.00 -1.26 0.68 105.19 115.04 2ksi n GLY 94 Ca -0.10 -0.97 -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 -0.65 1.96 -0.30 1.61 -0.06 -1.26 -4.84 117.38 113.85 2ksi n GLN 95 Ca 0.00 0.69 0.07 0.00 -2.00 0.00 0.00 57.00 55.76 2ksi n GLN 95 Cb 0.00 -2.65 0.17 0.00 -4.06 0.00 0.00 30.24 23.70 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 0.17 -0.12 1.69 2.07 -1.99 0.13 116.25 124.04 2ksi h VAL 96 Ca -0.45 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2ksi h VAL 96 Cb 1.28 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2ksi h VAL 96 CO 0.96 0.01 -0.10 -0.33 0.02 0.00 0.00 177.57 178.13 2ksi h GLU 97 N 0.03 -0.10 -0.41 1.57 4.39 -1.96 0.33 114.58 118.43 2ksi h GLU 97 Ca 0.46 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.25 2ksi h GLU 97 Cb 0.80 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.38 2ksi h GLU 97 CO -0.83 -0.07 -0.31 -0.07 -1.16 0.00 0.00 179.01 176.57 2ksi h LEU 98 N -0.11 -1.04 -1.29 1.33 3.38 -1.12 0.29 115.31 116.73 2ksi h LEU 98 Ca 0.08 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 2ksi h LEU 98 Cb 0.22 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ksi h LEU 98 CO -0.19 -0.31 -0.15 0.16 0.09 0.00 0.00 178.44 178.04 2ksi h ILE 99 N -0.24 0.40 0.00 1.22 3.07 -1.10 -2.42 117.51 118.44 2ksi h ILE 99 Ca 0.18 -0.89 0.00 0.00 1.55 0.00 0.00 64.86 65.70 2ksi h ILE 99 Cb 0.53 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 2ksi h ILE 99 CO -0.54 0.15 0.00 0.49 -1.05 0.00 0.00 178.15 177.20 2ksi n PHE 100 N -3.33 0.86 0.05 0.16 3.01 0.11 -3.21 117.46 115.12 2ksi n PHE 100 Ca 0.00 0.26 -0.13 0.00 1.01 0.00 0.00 57.45 58.59 2ksi n PHE 100 Cb 0.38 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 38.88 2ksi n PHE 100 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2ksi h LEU 101 N 0.00 0.59 -0.32 4.37 3.38 -0.26 -3.10 115.31 119.97 2ksi h LEU 101 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2ksi h LEU 101 Cb 0.66 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ksi h LEU 101 CO 0.00 1.23 -0.16 0.18 0.09 0.00 0.00 178.44 179.77 2ksi n LEU 102 N -3.80 0.66 0.11 1.67 4.32 -1.21 -4.04 117.00 114.71 2ksi n LEU 102 Ca -0.06 -0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.71 2ksi n LEU 102 Cb 0.80 -0.17 -0.08 0.00 -1.62 0.00 0.00 43.42 42.35 2ksi n LEU 102 CO 0.51 0.12 0.67 -0.33 -1.22 0.00 0.00 177.39 177.14 2ksi h GLU 103 N 0.77 -0.26 0.00 3.23 5.08 -1.50 -2.13 114.58 119.78 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 0.41 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ksi h GLU 103 CO 0.00 0.00 0.00 -0.35 -1.00 0.00 0.00 179.01 177.66 2ksi n PRO 104 N -5.10 0.11 0.01 2.33 -0.04 -1.26 -2.04 135.00 129.01 2ksi n PRO 104 Ca -0.09 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 2ksi n PRO 104 Cb 0.21 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.38 0.16 -0.33 0.54 3.72 -1.04 -4.32 117.46 114.81 2ksi n PHE 105 Ca 0.05 0.05 0.15 0.00 -0.05 0.00 0.00 57.45 57.65 2ksi n PHE 105 Cb 0.14 -0.45 0.37 0.00 -0.94 0.00 0.00 39.48 38.60 2ksi n PHE 105 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2ksi h ILE 106 N 0.00 0.68 -0.68 4.37 2.04 -0.79 0.84 117.51 123.96 2ksi h ILE 106 Ca 0.00 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2ksi h ILE 106 Cb 0.86 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2ksi h ILE 106 CO 0.00 0.12 0.15 0.00 0.00 0.00 0.00 178.15 178.42 2ksi h ALA 107 N 1.64 0.97 -0.94 1.87 0.00 -1.76 -2.62 119.26 118.42 2ksi h ALA 107 Ca 0.57 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 55.47 2ksi h ALA 107 Cb 1.02 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2ksi h ALA 107 CO -0.35 0.66 0.65 0.77 0.00 0.00 0.00 179.25 180.98 2ksi h SER 108 N 1.04 0.21 -3.55 0.00 0.02 -1.07 -3.41 113.55 106.79 2ksi h SER 108 Ca 0.21 0.03 -0.43 0.00 -0.84 0.00 0.00 61.79 60.76 2ksi h SER 108 Cb 0.39 -0.01 0.19 0.00 0.14 0.00 0.00 62.40 63.10 2ksi h SER 108 CO 0.00 0.07 0.10 -0.76 -1.14 0.00 0.00 176.83 175.10 2ksi s LEU 109 N -9.00 0.94 0.00 5.07 1.43 -0.99 -5.00 118.68 111.14 2ksi s LEU 109 Ca -0.07 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2ksi s LEU 109 Cb 0.23 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2ksi s LEU 109 CO 0.78 -3.84 0.10 1.17 0.23 0.00 0.00 176.35 174.79