#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 6.70 0.61 7.83 0.01 -1.26 -5.01 113.70 122.59 2ksi s SER 2 Ca 0.00 2.69 -0.10 0.00 1.31 0.00 0.00 55.95 59.85 2ksi s SER 2 Cb 0.00 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2ksi s SER 2 CO 0.00 -0.62 1.01 -0.76 0.41 0.00 0.00 173.24 173.28 2ksi s LEU 3 N -1.22 3.24 0.06 2.44 1.43 -1.26 -5.00 118.68 118.37 2ksi s LEU 3 Ca 0.53 1.31 -0.37 0.00 -1.03 0.00 0.00 54.13 54.58 2ksi s LEU 3 Cb -0.41 -4.32 -0.20 0.00 0.03 0.00 0.00 46.19 41.29 2ksi s LEU 3 CO 0.49 -0.90 1.55 0.11 0.23 0.00 0.00 176.35 177.83 2ksi h LYS 4 N -0.30 -1.27 -1.42 1.70 1.57 -2.02 -2.50 116.57 112.34 2ksi h LYS 4 Ca -0.44 0.09 0.42 0.00 -1.87 0.00 0.00 60.65 58.84 2ksi h LYS 4 Cb 1.20 0.29 -0.08 0.00 0.08 0.00 0.00 32.23 33.72 2ksi h LYS 4 CO 0.62 -0.85 0.99 0.66 -0.57 0.00 0.00 179.45 180.31 2ksi h SER 5 N -1.32 0.11 -0.32 0.86 4.64 -1.95 0.26 113.55 115.83 2ksi h SER 5 Ca -0.13 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2ksi h SER 5 Cb 1.01 0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.07 2ksi h SER 5 CO 0.22 -0.03 -0.04 -0.78 -0.87 0.00 0.00 176.83 175.33 2ksi h ASP 6 N 0.07 -0.22 -0.95 4.97 3.58 -1.83 -1.04 116.42 120.99 2ksi h ASP 6 Ca 0.73 0.08 0.19 0.00 0.42 0.00 0.00 57.03 58.45 2ksi h ASP 6 Cb 2.66 0.17 -0.08 0.00 1.72 0.00 0.00 39.33 43.79 2ksi h ASP 6 CO -0.13 -0.07 0.61 -0.08 -2.88 0.00 0.00 179.24 176.68 2ksi h GLU 7 N 0.04 0.58 0.25 0.28 4.57 -0.52 -2.24 114.58 117.54 2ksi h GLU 7 Ca 0.15 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2ksi h GLU 7 Cb 0.22 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2ksi h GLU 7 CO -0.29 0.39 -0.52 0.28 -1.18 0.00 0.00 179.01 177.68 2ksi h VAL 8 N 0.60 0.00 -0.80 0.32 2.07 -1.23 0.19 116.25 117.41 2ksi h VAL 8 Ca 0.51 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.20 2ksi h VAL 8 Cb 1.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 2ksi h VAL 8 CO -0.26 0.00 0.29 -0.26 0.02 0.00 0.00 177.57 177.36 2ksi h PHE 9 N -0.84 0.48 -0.64 1.57 0.04 -1.38 0.58 116.94 116.76 2ksi h PHE 9 Ca -0.03 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2ksi h PHE 9 Cb 0.80 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 2ksi h PHE 9 CO -0.39 -0.02 0.25 0.00 -0.60 0.00 0.00 178.31 177.55 2ksi h ALA 10 N 1.62 0.83 0.37 2.45 0.00 -1.19 -1.97 119.26 121.38 2ksi h ALA 10 Ca 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2ksi h ALA 10 Cb 0.79 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ksi h ALA 10 CO -0.48 0.46 -0.18 0.87 0.00 0.00 0.00 179.25 179.92 2ksi h LYS 11 N 0.90 -0.48 0.09 0.00 1.79 0.15 0.26 116.57 119.28 2ksi h LYS 11 Ca 0.21 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 2ksi h LYS 11 Cb 0.22 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 2ksi h LYS 11 CO -0.02 -0.31 -0.29 0.82 -1.08 0.00 0.00 179.45 178.57 2ksi h ILE 12 N -0.51 0.36 -0.09 1.86 2.04 -1.10 -0.96 117.51 119.10 2ksi h ILE 12 Ca -0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2ksi h ILE 12 Cb 0.39 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2ksi h ILE 12 CO 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 178.07 2ksi h ALA 13 N 0.21 -0.13 -0.60 1.87 0.00 -1.31 -0.52 119.26 118.79 2ksi h ALA 13 Ca 0.04 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.15 2ksi h ALA 13 Cb 0.54 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2ksi h ALA 13 CO -0.19 -0.63 0.43 -0.22 0.00 0.00 0.00 179.25 178.64 2ksi h LYS 14 N -0.23 0.02 -0.06 0.00 3.64 -0.66 0.14 116.57 119.42 2ksi h LYS 14 Ca 0.08 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 2ksi h LYS 14 Cb 0.35 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2ksi h LYS 14 CO -0.23 0.01 -0.70 -0.09 -2.27 0.00 0.00 179.45 176.17 2ksi h ARG 15 N 0.02 0.32 0.00 1.90 9.65 0.28 -2.97 114.38 123.58 2ksi h ARG 15 Ca 0.28 -0.25 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2ksi h ARG 15 Cb 1.11 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2ksi h ARG 15 CO -0.01 0.90 -0.03 -0.07 2.80 0.00 0.00 179.97 183.56 2ksi h LEU 16 N 0.22 0.00 -2.32 3.80 3.38 0.03 -2.62 115.31 117.79 2ksi h LEU 16 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2ksi h LEU 16 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2ksi h LEU 16 CO 0.11 0.03 0.18 -0.33 0.09 0.00 0.00 178.44 178.53 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.33 0.34 114.58 119.80 2ksi h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ksi h GLU 17 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2ksi h GLU 17 CO 0.00 0.00 -0.11 0.77 -1.00 0.00 0.00 179.01 178.68 2ksi h SER 18 N 0.00 0.00 -0.91 1.42 0.02 -1.66 -3.45 113.55 108.97 2ksi h SER 18 Ca 0.06 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.43 2ksi h SER 18 Cb 0.43 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2ksi h SER 18 CO -0.00 0.01 1.57 -0.38 -1.14 0.00 0.00 176.83 176.89 2ksi n ILE 19 N -2.78 0.05 -4.53 3.27 5.41 0.12 -4.92 119.36 115.98 2ksi n ILE 19 Ca 0.04 -0.34 -0.32 0.00 1.00 0.00 0.00 62.75 63.13 2ksi n ILE 19 Cb 0.50 -1.64 -0.11 0.00 -0.71 0.00 0.00 39.64 37.68 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 9.15 4.43 0.24 4.38 1.11 -1.26 -5.01 116.67 129.72 2ksi s ASP 20 Ca 1.14 -0.20 0.23 0.00 0.18 0.00 0.00 52.55 53.90 2ksi s ASP 20 Cb -0.79 -0.98 0.96 0.00 1.07 0.00 0.00 42.92 43.19 2ksi s ASP 20 CO 0.43 0.28 1.69 -0.81 1.18 0.00 0.00 175.17 177.95 2ksi n PRO 21 N 1.63 0.18 0.00 8.23 -0.04 -1.26 -2.31 135.00 141.43 2ksi n PRO 21 Ca -0.16 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2ksi n PRO 21 Cb 0.52 -1.85 0.52 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.76 2.09 -3.15 0.55 0.00 -1.26 -4.59 120.51 112.39 2ksi n ALA 22 Ca 0.02 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2ksi n ALA 22 Cb 0.22 -1.36 -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 -2.73 -0.42 0.45 0.00 2.47 -0.98 -5.18 114.94 108.55 2ksi s ASN 23 Ca 0.17 0.14 0.03 0.00 0.42 0.00 0.00 52.86 53.61 2ksi s ASN 23 Cb 0.15 1.30 -0.03 0.00 -1.45 0.00 0.00 41.25 41.22 2ksi s ASN 23 CO 0.36 -0.08 0.06 -0.13 -3.72 0.00 0.00 177.10 173.59 2ksi s ARG 24 N 2.96 2.04 -0.01 0.43 1.81 -1.25 -4.42 118.95 120.51 2ksi s ARG 24 Ca 0.14 -2.26 0.00 0.00 -1.72 0.00 0.00 55.73 51.89 2ksi s ARG 24 Cb -0.06 -1.12 -0.01 0.00 -0.45 0.00 0.00 34.95 33.32 2ksi s ARG 24 CO -0.17 -0.38 -0.01 1.04 -0.68 0.00 0.00 175.30 175.10 2ksi n GLN 25 N -1.06 0.02 -3.65 3.54 6.02 -1.26 -5.09 117.38 115.90 2ksi n GLN 25 Ca -0.12 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 56.88 2ksi n GLN 25 Cb 0.66 -0.98 -0.06 0.00 1.02 0.00 0.00 30.24 30.88 2ksi n GLN 25 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ksi s VAL 26 N -2.02 0.00 -0.19 5.09 0.11 -1.26 -5.15 120.40 116.98 2ksi s VAL 26 Ca -0.01 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 2ksi s VAL 26 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2ksi s VAL 26 CO 0.02 0.00 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.14 2ksi s GLU 27 N 0.95 3.53 0.13 1.54 2.02 -1.26 -5.07 118.70 120.53 2ksi s GLU 27 Ca -0.06 -0.57 -0.24 0.00 0.02 0.00 0.00 54.97 54.12 2ksi s GLU 27 Cb -0.03 -2.96 0.08 0.00 0.10 0.00 0.00 34.13 31.32 2ksi s GLU 27 CO -0.11 0.03 1.11 -1.01 0.02 0.00 0.00 175.26 175.30 2ksi s HIS 28 N 0.91 0.06 -0.17 1.61 3.76 -1.26 -5.16 115.29 115.05 2ksi s HIS 28 Ca -0.00 -0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 54.44 2ksi s HIS 28 Cb -0.15 0.66 -0.04 0.00 1.11 0.00 0.00 32.58 34.16 2ksi s HIS 28 CO 0.01 -0.74 0.12 0.08 -0.85 0.00 0.00 174.74 173.36 2ksi s VAL 29 N -2.12 5.30 0.27 -0.90 1.01 -1.26 -4.45 120.40 118.25 2ksi s VAL 29 Ca 0.24 0.14 0.11 0.00 0.00 0.00 0.00 61.98 62.47 2ksi s VAL 29 Cb -0.02 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2ksi s VAL 29 CO 0.04 0.50 -0.18 -0.31 0.00 0.00 0.00 175.10 175.15 2ksi s TYR 30 N -0.10 2.18 -0.04 5.22 1.51 -1.24 -2.89 117.35 121.99 2ksi s TYR 30 Ca 0.10 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2ksi s TYR 30 Cb -0.12 -0.99 -0.00 0.00 -0.11 0.00 0.00 41.96 40.75 2ksi s TYR 30 CO 0.00 0.63 -0.15 0.21 -1.11 0.00 0.00 175.55 175.13 2ksi s LYS 31 N -3.55 1.61 -0.12 -0.62 2.20 -0.79 -1.75 119.74 116.73 2ksi s LYS 31 Ca 0.29 -0.54 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2ksi s LYS 31 Cb -0.03 -1.42 0.02 0.00 -1.51 0.00 0.00 37.83 34.89 2ksi s LYS 31 CO 0.14 0.22 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.15 2ksi s PHE 32 N 0.07 1.94 -0.16 4.03 0.40 0.76 -0.39 117.98 124.65 2ksi s PHE 32 Ca -0.04 -0.99 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 2ksi s PHE 32 Cb -0.11 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2ksi s PHE 32 CO 0.02 -0.55 -0.00 1.03 0.70 0.00 0.00 175.22 176.41 2ksi s ARG 33 N 1.30 3.73 -0.65 0.44 0.52 0.25 0.96 118.95 125.49 2ksi s ARG 33 Ca -0.00 -0.45 -0.04 0.00 -0.52 0.00 0.00 55.73 54.71 2ksi s ARG 33 Cb -0.14 -3.00 0.17 0.00 0.52 0.00 0.00 34.95 32.50 2ksi s ARG 33 CO -0.06 0.29 0.48 0.42 0.02 0.00 0.00 175.30 176.45 2ksi s ILE 34 N 0.27 3.94 0.61 1.52 -1.09 -1.14 -1.01 121.20 124.29 2ksi s ILE 34 Ca -0.01 -2.91 -0.06 0.00 -2.23 0.00 0.00 60.65 55.44 2ksi s ILE 34 Cb -0.13 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 2ksi s ILE 34 CO 0.02 -0.90 0.93 -0.89 -1.23 0.00 0.00 174.94 172.87 2ksi s THR 35 N -0.04 3.59 -0.36 2.92 2.01 -1.07 -3.65 115.64 119.03 2ksi s THR 35 Ca 0.17 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.22 2ksi s THR 35 Cb -0.19 -3.44 0.11 0.00 0.01 0.00 0.00 72.50 68.99 2ksi s THR 35 CO -0.04 -0.47 0.14 -1.58 -0.69 0.00 0.00 174.62 171.98 2ksi s GLN 36 N -5.04 1.04 0.00 4.92 0.74 -1.22 -0.58 119.66 119.52 2ksi s GLN 36 Ca 0.55 -1.53 0.00 0.00 0.05 0.00 0.00 55.36 54.43 2ksi s GLN 36 Cb -0.11 -2.32 0.00 0.00 1.10 0.00 0.00 33.01 31.68 2ksi s GLN 36 CO 0.46 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.57 2ksi n GLY 37 N 4.31 2.46 0.00 2.59 0.00 -1.26 -3.88 105.19 109.41 2ksi n GLY 37 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 3.07 -0.02 0.00 -1.26 -5.12 105.19 101.85 2ksi n GLY 38 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.41 0.07 1.61 1.02 -1.25 -5.09 119.74 118.50 2ksi s LYS 39 Ca 0.00 -0.62 -0.37 0.00 0.02 0.00 0.00 55.97 55.00 2ksi s LYS 39 Cb 0.00 -2.07 -0.18 0.00 -0.52 0.00 0.00 37.83 35.06 2ksi s LYS 39 CO 0.00 -0.11 1.19 1.55 -0.92 0.00 0.00 175.35 177.05 2ksi n VAL 40 N 4.37 0.20 0.00 3.17 3.14 -1.26 -3.43 118.33 124.53 2ksi n VAL 40 Ca -0.19 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2ksi n VAL 40 Cb 0.51 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 2ksi n VAL 40 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ksi n VAL 41 N 1.91 0.00 -3.54 1.55 0.24 -1.26 -4.93 118.33 112.30 2ksi n VAL 41 Ca 0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.37 2ksi n VAL 41 Cb 0.16 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 31.89 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 -1.72 1.13 0.14 7.34 1.02 -1.24 -5.09 119.74 121.32 2ksi s LYS 42 Ca 0.00 -0.50 0.11 0.00 0.02 0.00 0.00 55.97 55.60 2ksi s LYS 42 Cb 0.00 0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 37.78 2ksi s LYS 42 CO 0.00 -0.45 -0.26 1.21 -0.92 0.00 0.00 175.35 174.93 2ksi s ASN 43 N -2.55 3.37 0.04 2.83 3.84 -1.26 -2.89 114.94 118.31 2ksi s ASN 43 Ca 0.00 -0.77 0.02 0.00 0.21 0.00 0.00 52.86 52.32 2ksi s ASN 43 Cb 0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 41.25 40.44 2ksi s ASN 43 CO -0.09 0.17 -0.08 0.26 -2.79 0.00 0.00 177.10 174.56 2ksi s TRP 44 N -1.21 0.70 0.03 0.43 0.51 0.27 -2.49 118.94 117.17 2ksi s TRP 44 Ca 0.16 -0.46 0.07 0.00 -2.12 0.00 0.00 56.10 53.75 2ksi s TRP 44 Cb -0.10 -0.42 -0.02 0.00 -0.81 0.00 0.00 33.47 32.13 2ksi s TRP 44 CO 0.07 -0.07 -0.22 0.14 -0.51 0.00 0.00 176.95 176.37 2ksi s VAL 45 N -1.25 1.76 -0.53 4.03 -7.23 0.07 -0.17 120.40 117.08 2ksi s VAL 45 Ca -0.08 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 58.78 2ksi s VAL 45 Cb -0.09 -1.50 0.13 0.00 0.56 0.00 0.00 36.38 35.47 2ksi s VAL 45 CO 0.00 0.31 0.49 -0.32 -0.31 0.00 0.00 175.10 175.27 2ksi s MET 46 N -1.00 2.97 -1.26 4.82 1.75 -0.72 -2.28 119.30 123.58 2ksi s MET 46 Ca 0.08 -1.69 -0.19 0.00 -1.25 0.00 0.00 55.69 52.65 2ksi s MET 46 Cb -0.09 -4.28 0.05 0.00 2.84 0.00 0.00 34.83 33.35 2ksi s MET 46 CO 0.01 -1.30 1.75 0.34 -0.65 0.00 0.00 175.02 175.16 2ksi s ASP 47 N 3.50 6.54 0.09 1.11 2.15 0.60 -3.71 116.67 126.96 2ksi s ASP 47 Ca 0.03 -2.25 0.20 0.00 0.43 0.00 0.00 52.55 50.97 2ksi s ASP 47 Cb -0.29 -2.58 0.84 0.00 -0.30 0.00 0.00 42.92 40.58 2ksi s ASP 47 CO 0.03 -1.48 1.64 0.18 -0.17 0.00 0.00 175.17 175.37 2ksi n LEU 48 N 9.33 0.25 -0.07 -1.34 4.32 -1.26 -0.94 117.00 127.29 2ksi n LEU 48 Ca 0.47 0.55 -0.12 0.00 -0.02 0.00 0.00 56.01 56.89 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 0.75 -0.28 0.07 0.11 -1.22 0.00 0.00 177.39 176.81 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.85 -3.34 116.57 116.18 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 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2ksi h LYS 49 CO 0.00 0.72 -0.14 -1.71 -0.57 0.00 0.00 179.45 177.74 2ksi n ASN 50 N -4.61 0.39 -2.29 0.86 2.85 -1.21 -4.93 115.26 106.31 2ksi n ASN 50 Ca -0.12 -0.34 -0.11 0.00 -0.11 0.00 0.00 54.58 53.90 2ksi n ASN 50 Cb 0.41 -0.10 0.05 0.00 1.24 0.00 0.00 39.78 41.37 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 -1.13 -2.68 -3.97 3.44 0.31 -0.12 -5.04 118.33 109.14 2ksi n VAL 51 Ca 0.12 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 2ksi n VAL 51 Cb 0.30 -3.50 -0.06 0.00 -0.91 0.00 0.00 33.84 29.66 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 -5.12 1.29 -0.29 5.55 2.20 -0.11 -4.71 119.74 118.55 2ksi s LYS 52 Ca 0.12 -1.20 0.02 0.00 -0.36 0.00 0.00 55.97 54.55 2ksi s LYS 52 Cb -0.05 0.41 0.08 0.00 -1.51 0.00 0.00 37.83 36.75 2ksi s LYS 52 CO 0.40 -0.50 0.00 -0.51 -0.36 0.00 0.00 175.35 174.39 2ksi s LEU 53 N -2.99 3.35 0.50 5.43 1.02 -1.26 -0.29 118.68 124.43 2ksi s LEU 53 Ca 0.20 -1.61 0.08 0.00 0.02 0.00 0.00 54.13 52.81 2ksi s LEU 53 Cb 0.02 -1.32 0.03 0.00 0.02 0.00 0.00 46.19 44.95 2ksi s LEU 53 CO 0.03 -0.31 0.57 0.68 0.02 0.00 0.00 176.35 177.34 2ksi s VAL 54 N 1.24 2.37 -0.35 -1.59 -7.23 -0.97 -4.97 120.40 108.90 2ksi s VAL 54 Ca 0.02 -1.17 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2ksi s VAL 54 Cb -0.19 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2ksi s VAL 54 CO -0.10 0.00 0.15 -1.83 -0.31 0.00 0.00 175.10 173.01 2ksi s GLU 55 N -4.40 2.78 0.04 4.82 1.03 -1.26 -0.75 118.70 120.97 2ksi s GLU 55 Ca 0.52 -1.09 -0.28 0.00 0.03 0.00 0.00 54.97 54.15 2ksi s GLU 55 Cb -0.05 -3.58 0.09 0.00 -0.80 0.00 0.00 34.13 29.79 2ksi s GLU 55 CO 0.32 -0.65 1.01 -1.12 -1.33 0.00 0.00 175.26 173.49 2ksi s SER 56 N 1.49 -0.22 -0.20 0.83 0.01 -1.04 -4.84 113.70 109.73 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 -0.19 0.37 0.04 0.00 0.21 0.00 0.00 66.02 66.45 2ksi s SER 56 CO 0.05 -0.65 -0.13 1.51 0.41 0.00 0.00 173.24 174.43 2ksi s ASP 57 N -2.72 3.43 0.24 2.44 1.47 -1.26 -2.97 116.67 117.30 2ksi s ASP 57 Ca 0.10 -0.87 -0.17 0.00 1.18 0.00 0.00 52.55 52.79 2ksi s ASP 57 Cb -0.00 -1.33 0.01 0.00 -0.34 0.00 0.00 42.92 41.26 2ksi s ASP 57 CO -0.03 -0.11 0.56 -1.81 0.68 0.00 0.00 175.17 174.46 2ksi s ASP 58 N 1.33 -0.20 0.92 2.11 1.11 -1.26 -5.13 116.67 115.56 2ksi s ASP 58 Ca -0.00 -0.68 -0.13 0.00 0.18 0.00 0.00 52.55 51.92 2ksi s ASP 58 Cb -0.16 0.62 0.03 0.00 1.07 0.00 0.00 42.92 44.49 2ksi s ASP 58 CO -0.09 -1.17 0.43 0.00 1.18 0.00 0.00 175.17 175.53 2ksi n ALA 59 N -0.39 -2.43 -3.62 5.23 0.00 -1.26 -4.94 120.51 113.10 2ksi n ALA 59 Ca -0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 53.44 52.73 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 -2.34 -1.98 0.46 0.00 0.00 -1.26 -4.91 121.76 111.73 2ksi s ALA 60 Ca 0.58 1.80 0.32 0.00 0.00 0.00 0.00 51.96 54.65 2ksi s ALA 60 Cb -0.23 -1.30 1.70 0.00 0.00 0.00 0.00 23.12 23.29 2ksi s ALA 60 CO 0.66 -0.24 2.16 0.93 0.00 0.00 0.00 175.76 179.26 2ksi h GLU 61 N 3.73 0.00 -3.39 0.00 3.07 -1.92 -3.41 114.58 112.66 2ksi h GLU 61 Ca -0.26 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.26 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 0.16 0.06 -0.73 0.00 -1.40 0.00 0.00 179.01 177.10 2ksi s ALA 62 N -4.22 0.16 -0.19 3.43 0.00 -1.25 -4.69 121.76 115.00 2ksi s ALA 62 Ca -0.03 0.25 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 2ksi s ALA 62 Cb 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2ksi s ALA 62 CO 0.54 -0.33 0.07 0.99 0.00 0.00 0.00 175.76 177.03 2ksi s THR 63 N 1.72 4.80 -0.15 0.00 2.01 0.17 -1.88 115.64 122.31 2ksi s THR 63 Ca -0.01 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2ksi s THR 63 Cb -0.12 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.23 2ksi s THR 63 CO -0.03 0.44 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.45 2ksi s LEU 64 N 0.56 1.70 -0.12 4.42 1.43 0.48 -0.35 118.68 126.80 2ksi s LEU 64 Ca 0.04 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2ksi s LEU 64 Cb -0.13 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2ksi s LEU 64 CO 0.01 -0.08 -0.14 -0.89 0.23 0.00 0.00 176.35 175.48 2ksi s THR 65 N 1.51 2.98 -0.18 5.49 2.01 -0.96 -0.58 115.64 125.91 2ksi s THR 65 Ca 0.04 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 2ksi s THR 65 Cb -0.13 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.19 2ksi s THR 65 CO -0.10 0.53 0.50 -0.04 -0.69 0.00 0.00 174.62 174.82 2ksi s MET 66 N 0.26 0.61 0.58 4.92 -1.94 -0.18 -3.69 119.30 119.86 2ksi s MET 66 Ca -0.10 0.65 -0.16 0.00 -1.71 0.00 0.00 55.69 54.37 2ksi s MET 66 Cb -0.16 0.29 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 2ksi s MET 66 CO 0.06 -0.08 1.06 -1.21 -0.01 0.00 0.00 175.02 174.83 2ksi s GLU 67 N 0.16 3.35 0.17 2.03 2.02 -1.26 -2.60 118.70 122.57 2ksi s GLU 67 Ca -0.01 1.24 -0.22 0.00 0.02 0.00 0.00 54.97 56.00 2ksi s GLU 67 Cb -0.03 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 32.23 2ksi s GLU 67 CO 0.01 -0.79 1.61 0.22 0.02 0.00 0.00 175.26 176.33 2ksi h ASP 68 N 0.57 -0.95 -0.94 -0.19 1.82 -1.13 0.33 116.42 115.93 2ksi h ASP 68 Ca -0.47 0.18 0.27 0.00 -0.39 0.00 0.00 57.03 56.62 2ksi h ASP 68 Cb 1.22 0.46 -0.04 0.00 0.68 0.00 0.00 39.33 41.65 2ksi h ASP 68 CO 0.57 -0.30 0.67 0.44 -1.61 0.00 0.00 179.24 179.02 2ksi h ASP 69 N -0.22 0.00 1.40 2.28 5.19 -1.93 0.75 116.42 123.89 2ksi h ASP 69 Ca 0.18 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 2ksi h ASP 69 Cb 0.51 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 2ksi h ASP 69 CO -0.51 0.00 -0.62 0.40 -3.12 0.00 0.00 179.24 175.39 2ksi h ILE 70 N 0.00 0.45 0.13 0.35 1.08 -0.77 -3.17 117.51 115.57 2ksi h ILE 70 Ca 0.44 -1.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.23 2ksi h ILE 70 Cb 1.78 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 37.64 2ksi h ILE 70 CO -0.01 0.25 -0.06 -0.03 -0.69 0.00 0.00 178.15 177.62 2ksi h MET 71 N 0.00 -0.17 0.00 2.37 4.05 0.21 0.19 114.93 121.59 2ksi h MET 71 Ca -0.03 0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 2ksi h MET 71 Cb 1.27 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 2ksi h MET 71 CO 0.04 -0.11 -0.53 0.27 0.23 0.00 0.00 176.91 176.81 2ksi h PHE 72 N -0.18 0.00 0.50 1.39 -5.15 -1.66 0.25 116.94 112.10 2ksi h PHE 72 Ca -0.02 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.73 2ksi h PHE 72 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.31 2ksi h PHE 72 CO -0.07 0.53 -0.24 0.00 -2.00 0.00 0.00 178.31 176.53 2ksi h ALA 73 N 1.47 -0.67 -0.22 12.09 0.00 -1.45 -2.88 119.26 127.60 2ksi h ALA 73 Ca -0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 2ksi h ALA 73 Cb 1.02 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ksi h ALA 73 CO 0.07 -0.63 -0.61 0.82 0.00 0.00 0.00 179.25 178.91 2ksi h ILE 74 N -1.17 1.29 -0.99 0.00 2.04 -0.70 0.15 117.51 118.13 2ksi h ILE 74 Ca -0.07 -1.80 0.17 0.00 1.00 0.00 0.00 64.86 64.15 2ksi h ILE 74 Cb 0.53 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 2ksi h ILE 74 CO 0.11 0.58 0.62 1.23 0.00 0.00 0.00 178.15 180.69 2ksi h GLY 75 N 0.55 1.62 -1.77 5.37 0.00 -0.62 0.29 103.07 108.51 2ksi h GLY 75 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2ksi h GLY 75 CO 0.13 0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.39 2ksi n THR 76 N -4.68 0.54 -2.38 4.70 -2.24 -1.09 -4.66 114.28 104.48 2ksi n THR 76 Ca 0.21 -0.63 -0.19 0.00 -2.27 0.00 0.00 64.05 61.17 2ksi n THR 76 Cb 0.51 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.33 -0.42 0.23 3.38 0.00 0.10 -4.87 105.19 104.94 2ksi n GLY 77 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 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 0.97 0.38 -2.93 4.61 0.00 -0.92 -3.45 119.26 117.91 2ksi h ALA 78 Ca -0.46 -0.54 -0.64 0.00 0.00 0.00 0.00 54.91 53.27 2ksi h ALA 78 Cb 1.34 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 2ksi h ALA 78 CO 0.55 0.66 -0.78 -0.51 0.00 0.00 0.00 179.25 179.16 2ksi s LEU 79 N -8.60 2.60 -0.03 0.00 1.43 -1.21 -5.05 118.68 107.82 2ksi s LEU 79 Ca -0.11 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 2ksi s LEU 79 Cb 0.09 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 2ksi s LEU 79 CO 0.89 0.10 1.47 -2.16 0.23 0.00 0.00 176.35 176.88 2ksi s PRO 80 N -2.90 4.24 0.43 1.29 0.04 -1.26 -4.69 135.00 132.15 2ksi s PRO 80 Ca 0.24 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.40 2ksi s PRO 80 Cb -0.07 -3.71 0.92 0.00 0.04 0.00 0.00 34.50 31.68 2ksi s PRO 80 CO 0.12 -0.68 2.01 0.00 0.04 0.00 0.00 177.00 178.49 2ksi h ALA 81 N 8.37 1.68 0.39 8.56 0.00 -1.98 -0.68 119.26 135.61 2ksi h ALA 81 Ca -0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2ksi h ALA 81 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ksi h ALA 81 CO 0.93 0.24 -0.19 -0.22 0.00 0.00 0.00 179.25 180.01 2ksi h LYS 82 N 0.25 -0.51 -0.69 0.00 3.64 -1.99 -2.88 116.57 114.39 2ksi h LYS 82 Ca 0.06 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2ksi h LYS 82 Cb 0.17 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2ksi h LYS 82 CO 0.00 -0.21 0.41 1.49 -2.27 0.00 0.00 179.45 178.87 2ksi h GLU 83 N -0.99 0.75 -0.38 1.90 4.57 -1.95 0.26 114.58 118.74 2ksi h GLU 83 Ca -0.05 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.16 2ksi h GLU 83 Cb 0.53 -0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 2ksi h GLU 83 CO 0.09 0.50 -0.16 0.00 -1.18 0.00 0.00 179.01 178.25 2ksi h ALA 84 N 1.33 0.15 0.00 2.92 0.00 -1.18 -0.62 119.26 121.86 2ksi h ALA 84 Ca 0.30 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.24 2ksi h ALA 84 Cb 0.12 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ksi h ALA 84 CO -0.15 -0.52 -0.54 0.52 0.00 0.00 0.00 179.25 178.56 2ksi h MET 85 N -0.09 0.00 -0.21 0.00 2.86 -1.23 -3.09 114.93 113.18 2ksi h MET 85 Ca 0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2ksi h MET 85 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2ksi h MET 85 CO -0.44 0.54 0.13 0.00 1.06 0.00 0.00 176.91 178.19 2ksi h ALA 86 N 1.46 1.84 -0.46 6.32 0.00 0.10 -1.02 119.26 127.50 2ksi h ALA 86 Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2ksi h ALA 86 Cb 1.21 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 2ksi h ALA 86 CO 0.07 0.15 0.26 1.04 0.00 0.00 0.00 179.25 180.76 2ksi n GLN 87 N -4.50 1.95 -2.45 0.00 6.02 -0.72 -4.84 117.38 112.84 2ksi n GLN 87 Ca 0.00 -1.54 -0.07 0.00 -0.01 0.00 0.00 57.00 55.38 2ksi n GLN 87 Cb 0.08 -1.66 -0.00 0.00 1.02 0.00 0.00 30.24 29.67 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 -0.18 -2.59 -1.03 1.08 8.00 -0.39 -4.76 116.55 116.68 2ksi n ASP 88 Ca 0.27 0.33 0.09 0.00 0.71 0.00 0.00 54.79 56.18 2ksi n ASP 88 Cb 1.01 -2.28 0.25 0.00 -0.02 0.00 0.00 41.12 40.08 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 -2.65 2.30 -3.68 -1.24 4.76 -1.17 -4.89 118.16 111.59 2ksi n LYS 89 Ca -0.08 -2.00 -0.14 0.00 -2.87 0.00 0.00 58.31 53.22 2ksi n LYS 89 Cb 0.56 -1.43 -0.08 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.27 0.72 -0.27 1.97 -1.94 -1.26 -4.88 119.30 112.37 2ksi s MET 90 Ca 0.37 0.40 0.03 0.00 -1.71 0.00 0.00 55.69 54.78 2ksi s MET 90 Cb 0.19 0.34 0.07 0.00 2.01 0.00 0.00 34.83 37.44 2ksi s MET 90 CO 0.25 -0.15 -0.09 -1.21 -0.01 0.00 0.00 175.02 173.81 2ksi s GLU 91 N -0.43 2.14 -0.00 2.03 2.02 -1.24 -4.87 118.70 118.34 2ksi s GLU 91 Ca -0.06 -1.42 0.05 0.00 0.02 0.00 0.00 54.97 53.56 2ksi s GLU 91 Cb -0.03 -2.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 2ksi s GLU 91 CO 0.04 -0.62 -0.15 0.54 0.02 0.00 0.00 175.26 175.09 2ksi s VAL 92 N 1.07 1.19 -0.17 2.63 0.11 -1.26 -2.26 120.40 121.72 2ksi s VAL 92 Ca -0.06 -0.72 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2ksi s VAL 92 Cb -0.20 -1.01 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2ksi s VAL 92 CO -0.05 0.28 -0.01 -1.81 -3.33 0.00 0.00 175.10 170.17 2ksi s ASP 93 N -0.51 2.79 0.00 3.54 1.01 0.52 -5.00 116.67 119.02 2ksi s ASP 93 Ca 0.05 -0.69 0.00 0.00 0.71 0.00 0.00 52.55 52.62 2ksi s ASP 93 Cb -0.06 -0.76 0.00 0.00 1.01 0.00 0.00 42.92 43.11 2ksi s ASP 93 CO -0.00 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.75 2ksi n GLY 94 N 4.95 1.63 3.66 0.21 0.00 -1.26 0.43 105.19 114.81 2ksi n GLY 94 Ca -0.10 -0.96 -0.49 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 -0.66 1.96 -0.32 1.61 -0.06 -1.26 -4.82 117.38 113.83 2ksi n GLN 95 Ca 0.00 0.70 0.21 0.00 -2.00 0.00 0.00 57.00 55.91 2ksi n GLN 95 Cb 0.00 -2.61 0.42 0.00 -4.06 0.00 0.00 30.24 23.99 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 5.70 0.15 -0.11 1.69 2.07 -1.99 0.35 116.25 124.12 2ksi h VAL 96 Ca -0.46 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2ksi h VAL 96 Cb 1.28 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2ksi h VAL 96 CO 0.96 0.02 0.04 -0.33 0.02 0.00 0.00 177.57 178.29 2ksi h GLU 97 N 0.13 0.16 -0.35 1.57 5.08 -1.96 0.32 114.58 119.53 2ksi h GLU 97 Ca 0.69 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 59.10 2ksi h GLU 97 Cb 1.60 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.74 2ksi h GLU 97 CO -0.74 0.25 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.12 2ksi h LEU 98 N 0.02 -1.11 -0.88 1.33 3.38 -0.68 0.21 115.31 117.58 2ksi h LEU 98 Ca 0.04 0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2ksi h LEU 98 Cb 0.15 0.51 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2ksi h LEU 98 CO -0.00 -0.33 -0.44 0.16 0.09 0.00 0.00 178.44 177.91 2ksi h ILE 99 N -0.29 1.03 0.00 1.22 -0.00 -1.38 -2.74 117.51 115.35 2ksi h ILE 99 Ca 0.15 -1.68 0.00 0.00 -0.00 0.00 0.00 64.86 63.33 2ksi h ILE 99 Cb 0.55 1.99 0.00 0.00 -0.00 0.00 0.00 36.82 39.36 2ksi h ILE 99 CO -0.51 0.43 0.00 0.15 -0.00 0.00 0.00 178.15 178.22 2ksi h PHE 100 N 0.00 0.00 -0.00 0.16 3.57 0.17 -2.91 116.94 117.92 2ksi h PHE 100 Ca -0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 2ksi h PHE 100 Cb 0.95 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2ksi h PHE 100 CO 0.00 0.00 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.13 2ksi h LEU 101 N 0.00 0.37 -0.06 0.59 3.38 -0.37 -3.09 115.31 116.13 2ksi h LEU 101 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ksi h LEU 101 Cb 0.48 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ksi h LEU 101 CO 0.00 1.09 -0.20 0.18 0.09 0.00 0.00 178.44 179.60 2ksi n LEU 102 N -3.71 0.30 0.16 1.67 4.32 -1.11 -3.98 117.00 114.65 2ksi n LEU 102 Ca -0.05 0.20 -0.14 0.00 -0.02 0.00 0.00 56.01 56.00 2ksi n LEU 102 Cb 0.81 -0.33 -0.08 0.00 -1.62 0.00 0.00 43.42 42.19 2ksi n LEU 102 CO 0.49 0.07 0.69 -0.33 -1.22 0.00 0.00 177.39 177.09 2ksi h GLU 103 N 0.15 -0.35 0.00 3.23 5.08 -1.47 -1.86 114.58 119.36 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 0.46 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2ksi h GLU 103 CO 0.00 -0.13 0.00 -0.35 -1.00 0.00 0.00 179.01 177.53 2ksi n PRO 104 N -5.18 0.11 0.01 2.33 -0.04 -1.26 -2.05 135.00 128.93 2ksi n PRO 104 Ca -0.10 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 32.07 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 -1.39 0.16 -0.23 0.54 3.72 -1.00 -4.37 117.46 114.91 2ksi n PHE 105 Ca 0.05 0.05 0.03 0.00 -0.05 0.00 0.00 57.45 57.53 2ksi n PHE 105 Cb 0.14 -0.45 0.14 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.66 -0.57 4.37 2.04 -0.75 0.30 117.51 123.57 2ksi h ILE 106 Ca 0.00 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ksi h ILE 106 Cb 0.86 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2ksi h ILE 106 CO 0.00 0.07 0.33 0.00 0.00 0.00 0.00 178.15 178.55 2ksi h ALA 107 N 1.50 1.52 -0.89 1.87 0.00 -1.76 -1.91 119.26 119.59 2ksi h ALA 107 Ca 0.36 -0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.45 2ksi h ALA 107 Cb 0.53 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ksi h ALA 107 CO -0.39 0.41 0.67 0.77 0.00 0.00 0.00 179.25 180.71 2ksi h SER 108 N 0.78 0.00 -3.91 0.00 0.02 -1.17 -3.41 113.55 105.86 2ksi h SER 108 Ca 0.20 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.71 2ksi h SER 108 Cb -0.02 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.68 2ksi h SER 108 CO -0.04 0.00 0.21 -0.76 -1.14 0.00 0.00 176.83 175.11 2ksi s LEU 109 N -8.35 1.56 0.00 5.07 1.02 -0.72 -5.02 118.68 112.24 2ksi s LEU 109 Ca -0.05 1.01 0.00 0.00 0.02 0.00 0.00 54.13 55.11 2ksi s LEU 109 Cb 0.21 -3.15 0.00 0.00 0.02 0.00 0.00 46.19 43.27 2ksi s LEU 109 CO 0.75 -3.15 0.17 0.29 0.02 0.00 0.00 176.35 174.43