#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 1.96 1.07 6.12 0.01 -1.26 -5.14 113.70 116.46 2ksi s SER 2 Ca 0.00 -0.33 -0.13 0.00 1.31 0.00 0.00 55.95 56.79 2ksi s SER 2 Cb 0.00 -0.21 0.23 0.00 0.21 0.00 0.00 66.02 66.25 2ksi s SER 2 CO 0.00 0.18 1.08 -0.76 0.41 0.00 0.00 173.24 174.15 2ksi s LEU 3 N -0.53 1.23 -0.00 2.44 1.43 -1.26 -4.96 118.68 117.03 2ksi s LEU 3 Ca 0.06 1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 54.10 2ksi s LEU 3 Cb -0.07 -3.21 -0.13 0.00 0.03 0.00 0.00 46.19 42.81 2ksi s LEU 3 CO -0.00 -3.54 0.96 0.11 0.23 0.00 0.00 176.35 174.11 2ksi h LYS 4 N -2.17 -0.79 -1.48 1.70 1.79 -2.01 -3.07 116.57 110.54 2ksi h LYS 4 Ca -0.56 0.05 0.43 0.00 -2.18 0.00 0.00 60.65 58.40 2ksi h LYS 4 Cb 1.33 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 32.09 2ksi h LYS 4 CO 0.54 -0.53 1.05 0.66 -1.08 0.00 0.00 179.45 180.09 2ksi h SER 5 N -1.19 0.05 -0.27 0.86 4.64 -1.95 0.22 113.55 115.92 2ksi h SER 5 Ca -0.08 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2ksi h SER 5 Cb 0.63 0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 2ksi h SER 5 CO 0.14 -0.01 -0.09 -0.78 -0.87 0.00 0.00 176.83 175.21 2ksi h ASP 6 N 0.03 -0.33 -0.98 4.97 1.82 -1.91 -0.95 116.42 119.07 2ksi h ASP 6 Ca 0.73 0.09 0.22 0.00 -0.39 0.00 0.00 57.03 57.68 2ksi h ASP 6 Cb 2.80 0.20 -0.09 0.00 0.68 0.00 0.00 39.33 42.92 2ksi h ASP 6 CO -0.07 -0.12 0.63 -0.08 -1.61 0.00 0.00 179.24 177.99 2ksi h GLU 7 N -0.04 0.50 0.49 0.28 4.57 -0.64 -1.80 114.58 117.93 2ksi h GLU 7 Ca 0.14 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2ksi h GLU 7 Cb 0.25 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 2ksi h GLU 7 CO -0.30 0.33 -0.41 0.28 -1.18 0.00 0.00 179.01 177.73 2ksi h VAL 8 N 0.52 0.17 -0.76 0.32 2.07 -1.23 -0.98 116.25 116.36 2ksi h VAL 8 Ca 0.55 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.23 2ksi h VAL 8 Cb 1.20 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 2ksi h VAL 8 CO -0.28 0.00 0.19 -0.26 0.02 0.00 0.00 177.57 177.24 2ksi h PHE 9 N -0.89 0.29 -0.24 1.57 0.04 -1.24 -0.01 116.94 116.46 2ksi h PHE 9 Ca -0.05 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.77 2ksi h PHE 9 Cb 0.77 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 2ksi h PHE 9 CO -0.19 -0.09 0.15 0.00 -0.60 0.00 0.00 178.31 177.58 2ksi h ALA 10 N 1.63 0.30 0.21 2.45 0.00 -1.21 -0.75 119.26 121.89 2ksi h ALA 10 Ca 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2ksi h ALA 10 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ksi h ALA 10 CO -0.52 -0.24 -0.16 0.87 0.00 0.00 0.00 179.25 179.19 2ksi h LYS 11 N 0.30 -0.37 0.04 0.00 1.79 0.28 0.84 116.57 119.46 2ksi h LYS 11 Ca 0.09 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 2ksi h LYS 11 Cb -0.01 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.68 2ksi h LYS 11 CO -0.04 -0.24 -0.25 0.82 -1.08 0.00 0.00 179.45 178.66 2ksi h ILE 12 N -0.38 0.44 0.02 1.86 2.04 -0.94 -1.02 117.51 119.53 2ksi h ILE 12 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2ksi h ILE 12 Cb 0.34 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2ksi h ILE 12 CO -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.95 2ksi h ALA 13 N 0.40 -0.25 -0.60 1.87 0.00 -1.02 -0.93 119.26 118.73 2ksi h ALA 13 Ca 0.05 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2ksi h ALA 13 Cb 0.47 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2ksi h ALA 13 CO -0.19 -0.69 0.45 -0.22 0.00 0.00 0.00 179.25 178.60 2ksi h LYS 14 N -0.31 0.00 -0.05 0.00 3.64 -0.57 0.20 116.57 119.47 2ksi h LYS 14 Ca 0.05 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.26 2ksi h LYS 14 Cb 0.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2ksi h LYS 14 CO -0.16 0.00 -0.71 -0.09 -2.27 0.00 0.00 179.45 176.22 2ksi h ARG 15 N 0.00 0.28 0.00 1.90 9.65 0.17 -2.96 114.38 123.43 2ksi h ARG 15 Ca 0.28 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2ksi h ARG 15 Cb 1.18 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.80 2ksi h ARG 15 CO -0.00 0.88 -0.03 -0.07 2.80 0.00 0.00 179.97 183.55 2ksi h LEU 16 N 0.19 0.00 -2.36 3.80 3.38 0.03 -2.60 115.31 117.76 2ksi h LEU 16 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2ksi h LEU 16 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2ksi h LEU 16 CO 0.11 0.03 0.20 -0.33 0.09 0.00 0.00 178.44 178.54 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.33 0.31 114.58 119.76 2ksi h GLU 17 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2ksi h GLU 17 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2ksi h GLU 17 CO 0.00 0.00 -0.83 1.03 -1.00 0.00 0.00 179.01 178.21 2ksi h SER 18 N 0.00 0.00 -0.87 1.42 0.87 -1.66 -3.45 113.55 109.85 2ksi h SER 18 Ca 0.03 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.02 2ksi h SER 18 Cb 0.44 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 2ksi h SER 18 CO -0.00 0.26 1.57 -0.38 -0.53 0.00 0.00 176.83 177.75 2ksi n ILE 19 N -2.93 0.05 -4.48 2.23 5.41 0.11 -4.92 119.36 114.83 2ksi n ILE 19 Ca -0.02 -0.32 -0.32 0.00 1.00 0.00 0.00 62.75 63.09 2ksi n ILE 19 Cb 0.66 -1.59 -0.10 0.00 -0.71 0.00 0.00 39.64 37.90 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 9.08 4.65 0.34 4.38 1.11 -1.26 -5.01 116.67 129.96 2ksi s ASP 20 Ca 1.14 -0.12 0.27 0.00 0.18 0.00 0.00 52.55 54.02 2ksi s ASP 20 Cb -0.81 -1.11 1.11 0.00 1.07 0.00 0.00 42.92 43.18 2ksi s ASP 20 CO 0.44 0.30 1.79 1.55 1.18 0.00 0.00 175.17 180.43 2ksi h PRO 21 N 4.65 0.00 0.00 8.23 0.13 -2.02 -2.59 132.00 140.41 2ksi h PRO 21 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ksi h PRO 21 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ksi h PRO 21 CO 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 2ksi n ALA 22 N -1.86 2.10 -3.15 -0.56 0.00 -1.26 -4.55 120.51 111.22 2ksi n ALA 22 Ca 0.02 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2ksi n ALA 22 Cb 0.25 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.67 -0.67 0.40 0.00 2.47 -0.97 -5.18 114.94 108.32 2ksi s ASN 23 Ca 0.18 0.20 0.04 0.00 0.42 0.00 0.00 52.86 53.70 2ksi s ASN 23 Cb 0.15 1.47 -0.05 0.00 -1.45 0.00 0.00 41.25 41.37 2ksi s ASN 23 CO 0.35 -0.12 0.05 -0.13 -3.72 0.00 0.00 177.10 173.53 2ksi s ARG 24 N 2.93 1.89 0.08 0.43 1.81 -1.25 -4.40 118.95 120.44 2ksi s ARG 24 Ca 0.16 -2.11 0.00 0.00 -1.72 0.00 0.00 55.73 52.05 2ksi s ARG 24 Cb -0.07 -1.11 0.00 0.00 -0.45 0.00 0.00 34.95 33.32 2ksi s ARG 24 CO -0.19 -0.26 0.00 1.04 -0.68 0.00 0.00 175.30 175.21 2ksi n GLN 25 N -0.91 0.00 -3.34 3.54 1.13 -1.26 -5.06 117.38 111.48 2ksi n GLN 25 Ca -0.07 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.91 2ksi n GLN 25 Cb 0.66 -0.39 -0.07 0.00 0.11 0.00 0.00 30.24 30.55 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 -2.00 -0.63 -0.20 5.09 1.01 -1.26 -5.14 120.40 117.27 2ksi s VAL 26 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2ksi s VAL 26 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2ksi s VAL 26 CO 0.00 -0.12 0.01 -1.83 0.00 0.00 0.00 175.10 173.16 2ksi s GLU 27 N 2.56 3.67 0.13 2.72 4.04 -1.26 -5.07 118.70 125.49 2ksi s GLU 27 Ca 0.13 -0.50 -0.24 0.00 0.04 0.00 0.00 54.97 54.41 2ksi s GLU 27 Cb -0.15 -3.11 0.08 0.00 0.02 0.00 0.00 34.13 30.97 2ksi s GLU 27 CO -0.17 0.04 1.11 -1.01 -1.84 0.00 0.00 175.26 173.39 2ksi s HIS 28 N 0.95 0.06 -0.07 4.83 3.76 -1.26 -5.15 115.29 118.41 2ksi s HIS 28 Ca 0.02 -0.39 -0.18 0.00 -0.15 0.00 0.00 55.06 54.36 2ksi s HIS 28 Cb -0.14 0.66 -0.05 0.00 1.11 0.00 0.00 32.58 34.16 2ksi s HIS 28 CO 0.02 -0.75 0.47 0.08 -0.85 0.00 0.00 174.74 173.71 2ksi s VAL 29 N -2.11 5.11 0.37 -0.90 1.01 -1.26 -4.59 120.40 118.03 2ksi s VAL 29 Ca 0.24 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2ksi s VAL 29 Cb -0.02 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 2ksi s VAL 29 CO 0.04 0.40 -0.05 -0.31 0.00 0.00 0.00 175.10 175.18 2ksi s TYR 30 N 0.09 2.46 -0.02 5.22 1.51 -1.26 -3.12 117.35 122.23 2ksi s TYR 30 Ca 0.26 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 2ksi s TYR 30 Cb -0.16 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 2ksi s TYR 30 CO 0.12 0.52 -0.07 0.21 -1.11 0.00 0.00 175.55 175.22 2ksi s LYS 31 N -3.66 0.71 -0.20 -0.62 2.47 -0.29 -2.91 119.74 115.25 2ksi s LYS 31 Ca 0.34 -0.23 -0.01 0.00 -1.56 0.00 0.00 55.97 54.51 2ksi s LYS 31 Cb 0.06 -0.69 0.06 0.00 -1.46 0.00 0.00 37.83 35.79 2ksi s LYS 31 CO 0.17 0.09 -0.02 -0.06 0.16 0.00 0.00 175.35 175.69 2ksi s PHE 32 N 0.18 1.66 -0.16 4.03 0.40 0.41 -0.24 117.98 124.26 2ksi s PHE 32 Ca -0.02 -1.22 -0.09 0.00 -0.60 0.00 0.00 56.93 55.01 2ksi s PHE 32 Cb -0.07 -1.28 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 2ksi s PHE 32 CO -0.00 -0.66 0.13 1.03 0.70 0.00 0.00 175.22 176.42 2ksi s ARG 33 N 1.64 3.84 -0.75 0.44 0.52 -0.66 0.11 118.95 124.10 2ksi s ARG 33 Ca -0.02 -0.18 -0.10 0.00 -0.52 0.00 0.00 55.73 54.91 2ksi s ARG 33 Cb -0.17 -3.31 0.20 0.00 0.52 0.00 0.00 34.95 32.18 2ksi s ARG 33 CO -0.07 0.53 0.64 0.42 0.02 0.00 0.00 175.30 176.84 2ksi s ILE 34 N -0.29 4.91 0.39 1.52 -1.09 -0.63 -1.67 121.20 124.33 2ksi s ILE 34 Ca 0.11 -2.63 -0.03 0.00 -2.23 0.00 0.00 60.65 55.87 2ksi s ILE 34 Cb -0.11 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2ksi s ILE 34 CO 0.01 -0.97 0.64 0.42 -1.23 0.00 0.00 174.94 173.81 2ksi s THR 35 N 0.11 5.01 -0.32 2.92 -4.23 -1.16 -2.63 115.64 115.35 2ksi s THR 35 Ca 0.17 -0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2ksi s THR 35 Cb -0.14 -3.84 0.11 0.00 1.34 0.00 0.00 72.50 69.97 2ksi s THR 35 CO -0.07 -0.63 0.13 -1.10 -0.54 0.00 0.00 174.62 172.42 2ksi s GLN 36 N -4.33 0.55 0.00 3.99 -0.21 -0.50 -3.35 119.66 115.82 2ksi s GLN 36 Ca 0.44 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.83 2ksi s GLN 36 Cb -0.10 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2ksi s GLN 36 CO 0.38 -1.04 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 2ksi n GLY 37 N 4.79 2.55 0.00 3.09 0.00 -1.26 -4.11 105.19 110.25 2ksi n GLY 37 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.02 3.88 -0.02 0.00 -1.26 -5.15 105.19 102.65 2ksi n GLY 38 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2ksi n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ksi s LYS 39 N -0.44 3.18 0.39 1.61 2.20 -1.26 -5.05 119.74 120.38 2ksi s LYS 39 Ca 0.00 -0.74 -0.21 0.00 -0.36 0.00 0.00 55.97 54.66 2ksi s LYS 39 Cb 0.00 -2.80 -0.10 0.00 -1.51 0.00 0.00 37.83 33.41 2ksi s LYS 39 CO 0.00 0.50 0.92 0.08 -0.36 0.00 0.00 175.35 176.48 2ksi s VAL 40 N -1.77 4.40 0.00 4.02 1.01 -1.26 -1.41 120.40 125.39 2ksi s VAL 40 Ca 0.33 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2ksi s VAL 40 Cb -0.10 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2ksi s VAL 40 CO 0.26 -0.21 0.00 1.33 0.00 0.00 0.00 175.10 176.48 2ksi n VAL 41 N -0.38 0.00 -3.50 2.92 0.24 -1.08 -4.90 118.33 111.64 2ksi n VAL 41 Ca 0.06 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2ksi n VAL 41 Cb 0.53 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.37 0.91 0.16 7.34 1.02 -1.22 -5.06 119.74 121.52 2ksi s LYS 42 Ca 0.00 -0.18 0.10 0.00 0.02 0.00 0.00 55.97 55.90 2ksi s LYS 42 Cb 0.00 0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 37.69 2ksi s LYS 42 CO 0.00 -0.37 -0.18 -0.80 -0.92 0.00 0.00 175.35 173.09 2ksi s ASN 43 N -2.13 3.83 0.03 2.83 -0.87 -1.26 -1.61 114.94 115.77 2ksi s ASN 43 Ca 0.01 -0.67 0.02 0.00 -1.57 0.00 0.00 52.86 50.65 2ksi s ASN 43 Cb -0.01 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.25 40.71 2ksi s ASN 43 CO -0.05 0.14 -0.08 0.26 -2.57 0.00 0.00 177.10 174.80 2ksi s TRP 44 N -1.47 0.65 0.02 2.20 0.51 0.31 -2.68 118.94 118.48 2ksi s TRP 44 Ca 0.21 -0.38 0.08 0.00 -2.12 0.00 0.00 56.10 53.89 2ksi s TRP 44 Cb -0.09 -0.40 -0.02 0.00 -0.81 0.00 0.00 33.47 32.15 2ksi s TRP 44 CO 0.11 -0.05 -0.24 0.08 -0.51 0.00 0.00 176.95 176.34 2ksi s VAL 45 N -1.01 1.92 -0.61 4.03 1.01 0.96 -0.44 120.40 126.26 2ksi s VAL 45 Ca -0.06 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.57 2ksi s VAL 45 Cb -0.08 -1.63 0.15 0.00 0.00 0.00 0.00 36.38 34.82 2ksi s VAL 45 CO 0.00 0.39 0.55 -0.32 0.00 0.00 0.00 175.10 175.72 2ksi s MET 46 N -0.97 3.10 -1.27 2.72 1.75 -1.15 -2.15 119.30 121.33 2ksi s MET 46 Ca 0.10 -1.92 -0.19 0.00 -1.25 0.00 0.00 55.69 52.43 2ksi s MET 46 Cb -0.09 -4.29 0.05 0.00 2.84 0.00 0.00 34.83 33.33 2ksi s MET 46 CO 0.01 -1.31 1.76 -0.51 -0.65 0.00 0.00 175.02 174.32 2ksi s ASP 47 N 3.11 6.57 0.01 1.11 1.11 1.00 -4.03 116.67 125.55 2ksi s ASP 47 Ca 0.07 -2.30 0.21 0.00 0.18 0.00 0.00 52.55 50.71 2ksi s ASP 47 Cb -0.25 -2.58 0.89 0.00 1.07 0.00 0.00 42.92 42.05 2ksi s ASP 47 CO -0.00 -1.45 1.67 0.18 1.18 0.00 0.00 175.17 176.74 2ksi n LEU 48 N 9.26 0.02 -0.07 1.23 4.77 -1.26 -0.57 117.00 130.38 2ksi n LEU 48 Ca 0.48 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.84 2ksi n LEU 48 Cb 0.46 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2ksi n LEU 48 CO 0.75 -0.15 0.13 0.11 -1.33 0.00 0.00 177.39 176.90 2ksi h LYS 49 N 0.00 0.00 -0.01 3.23 1.57 -1.89 -3.35 116.57 116.12 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 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2ksi h LYS 49 CO 0.00 0.74 -0.20 -1.71 -0.57 0.00 0.00 179.45 177.71 2ksi n ASN 50 N -4.62 0.71 -2.11 0.86 5.15 -1.22 -4.94 115.26 109.09 2ksi n ASN 50 Ca -0.11 -0.66 -0.09 0.00 -0.60 0.00 0.00 54.58 53.12 2ksi n ASN 50 Cb 0.40 0.03 0.04 0.00 -0.53 0.00 0.00 39.78 39.72 2ksi n ASN 50 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2ksi n VAL 51 N -0.87 -2.49 -4.02 3.44 0.31 -0.23 -5.05 118.33 109.42 2ksi n VAL 51 Ca 0.12 -0.18 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 2ksi n VAL 51 Cb 0.32 -3.43 -0.07 0.00 -0.91 0.00 0.00 33.84 29.74 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 -4.89 1.36 -0.31 5.55 1.02 0.27 -4.73 119.74 118.00 2ksi s LYS 52 Ca 0.07 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.77 2ksi s LYS 52 Cb -0.03 0.40 0.10 0.00 -0.52 0.00 0.00 37.83 37.78 2ksi s LYS 52 CO 0.35 -0.53 0.08 -0.51 -0.92 0.00 0.00 175.35 173.82 2ksi s LEU 53 N -3.03 3.03 0.57 3.17 1.02 -1.26 -0.00 118.68 122.17 2ksi s LEU 53 Ca 0.24 -1.77 0.07 0.00 0.02 0.00 0.00 54.13 52.69 2ksi s LEU 53 Cb 0.02 -1.11 0.08 0.00 0.02 0.00 0.00 46.19 45.19 2ksi s LEU 53 CO 0.07 -0.40 0.78 0.68 0.02 0.00 0.00 176.35 177.51 2ksi s VAL 54 N 1.39 2.35 -0.34 -1.59 -7.23 -0.91 -4.93 120.40 109.14 2ksi s VAL 54 Ca 0.09 -0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 2ksi s VAL 54 Cb -0.18 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2ksi s VAL 54 CO -0.19 0.00 0.13 -1.83 -0.31 0.00 0.00 175.10 172.90 2ksi s GLU 55 N -4.70 2.80 0.10 4.82 1.03 -1.26 -0.03 118.70 121.46 2ksi s GLU 55 Ca 0.61 -1.07 -0.26 0.00 0.03 0.00 0.00 54.97 54.28 2ksi s GLU 55 Cb -0.07 -3.52 0.08 0.00 -0.80 0.00 0.00 34.13 29.82 2ksi s GLU 55 CO 0.39 -0.62 0.98 -1.12 -1.33 0.00 0.00 175.26 173.56 2ksi s SER 56 N 1.47 -0.20 -0.14 0.83 0.01 -1.09 -4.83 113.70 109.74 2ksi s SER 56 Ca 0.00 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 2ksi s SER 56 Cb -0.19 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.50 2ksi s SER 56 CO 0.04 -0.78 -0.09 -0.62 0.41 0.00 0.00 173.24 172.20 2ksi s ASP 57 N -2.84 2.54 0.14 2.44 2.15 -1.26 -2.89 116.67 116.95 2ksi s ASP 57 Ca 0.11 -0.47 -0.10 0.00 0.43 0.00 0.00 52.55 52.51 2ksi s ASP 57 Cb -0.01 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.66 2ksi s ASP 57 CO -0.01 -0.12 0.30 -1.81 -0.17 0.00 0.00 175.17 173.35 2ksi s ASP 58 N 1.62 0.00 -0.78 -0.34 1.01 -1.26 -5.08 116.67 111.84 2ksi s ASP 58 Ca 0.03 -0.71 -0.26 0.00 0.71 0.00 0.00 52.55 52.33 2ksi s ASP 58 Cb -0.14 0.43 -0.10 0.00 1.01 0.00 0.00 42.92 44.13 2ksi s ASP 58 CO -0.09 -0.86 2.24 0.00 0.21 0.00 0.00 175.17 176.67 2ksi s ALA 59 N -3.91 1.17 0.15 5.23 0.00 -1.26 -4.93 121.76 118.21 2ksi s ALA 59 Ca 0.11 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2ksi s ALA 59 Cb 0.03 -4.53 -0.06 0.00 0.00 0.00 0.00 23.12 18.56 2ksi s ALA 59 CO -0.05 -5.31 0.41 0.00 0.00 0.00 0.00 175.76 170.81 2ksi s ALA 60 N 12.76 3.74 0.44 0.00 0.00 -1.26 -4.98 121.76 132.47 2ksi s ALA 60 Ca 0.85 -0.48 0.34 0.00 0.00 0.00 0.00 51.96 52.67 2ksi s ALA 60 Cb -0.11 -2.21 1.76 0.00 0.00 0.00 0.00 23.12 22.56 2ksi s ALA 60 CO 0.08 0.62 2.16 1.49 0.00 0.00 0.00 175.76 180.12 2ksi h GLU 61 N 2.91 0.00 -3.43 0.00 4.81 -1.90 -3.41 114.58 113.56 2ksi h GLU 61 Ca -0.47 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.42 2ksi h GLU 61 Cb 1.17 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.18 2ksi h GLU 61 CO 0.71 0.05 -0.74 0.00 -0.73 0.00 0.00 179.01 178.30 2ksi s ALA 62 N -4.12 0.20 -0.20 2.92 0.00 -1.23 -4.67 121.76 114.66 2ksi s ALA 62 Ca -0.03 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.08 2ksi s ALA 62 Cb 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2ksi s ALA 62 CO 0.52 -0.32 0.06 0.99 0.00 0.00 0.00 175.76 177.00 2ksi s THR 63 N 1.69 4.59 -0.27 0.00 2.01 0.18 -1.14 115.64 122.70 2ksi s THR 63 Ca -0.01 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.91 2ksi s THR 63 Cb -0.12 -3.08 0.07 0.00 0.01 0.00 0.00 72.50 69.38 2ksi s THR 63 CO -0.03 0.43 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.54 2ksi s LEU 64 N 0.69 3.10 -0.20 4.42 1.02 0.67 -0.20 118.68 128.18 2ksi s LEU 64 Ca 0.03 -1.45 -0.11 0.00 0.02 0.00 0.00 54.13 52.61 2ksi s LEU 64 Cb -0.13 -1.29 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 2ksi s LEU 64 CO 0.02 -0.28 0.18 -0.89 0.02 0.00 0.00 176.35 175.40 2ksi s THR 65 N 1.28 5.37 -0.13 5.49 2.01 -0.76 -1.65 115.64 127.25 2ksi s THR 65 Ca -0.01 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 2ksi s THR 65 Cb -0.19 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.85 2ksi s THR 65 CO -0.08 0.40 0.53 -0.04 -0.69 0.00 0.00 174.62 174.73 2ksi s MET 66 N 0.57 0.73 0.69 4.92 -1.94 -0.67 -3.60 119.30 119.99 2ksi s MET 66 Ca 0.10 0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 54.42 2ksi s MET 66 Cb -0.12 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.07 2ksi s MET 66 CO 0.01 -0.15 1.07 -1.21 -0.01 0.00 0.00 175.02 174.73 2ksi s GLU 67 N -0.37 3.03 0.12 2.03 2.02 -1.26 -2.99 118.70 121.29 2ksi s GLU 67 Ca -0.05 0.64 -0.32 0.00 0.02 0.00 0.00 54.97 55.26 2ksi s GLU 67 Cb -0.03 -2.03 -0.10 0.00 0.10 0.00 0.00 34.13 32.07 2ksi s GLU 67 CO 0.04 -0.96 1.56 0.22 0.02 0.00 0.00 175.26 176.14 2ksi h ASP 68 N -0.60 -1.61 -0.84 -0.19 3.58 -1.89 -0.12 116.42 114.76 2ksi h ASP 68 Ca -0.45 0.20 0.16 0.00 0.42 0.00 0.00 57.03 57.36 2ksi h ASP 68 Cb 1.23 0.64 -0.10 0.00 1.72 0.00 0.00 39.33 42.82 2ksi h ASP 68 CO 0.62 -0.46 0.40 -0.78 -2.88 0.00 0.00 179.24 176.13 2ksi h ASP 69 N -0.54 0.44 -0.71 2.28 3.58 -1.93 0.96 116.42 120.49 2ksi h ASP 69 Ca 0.05 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2ksi h ASP 69 Cb 0.66 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 2ksi h ASP 69 CO -0.44 0.16 0.46 0.40 -2.88 0.00 0.00 179.24 176.93 2ksi h ILE 70 N 0.54 1.19 -0.42 2.25 1.08 -1.53 -1.19 117.51 119.44 2ksi h ILE 70 Ca 0.47 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2ksi h ILE 70 Cb 0.72 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2ksi h ILE 70 CO -0.40 0.19 0.25 -0.03 -0.69 0.00 0.00 178.15 177.47 2ksi h MET 71 N 0.98 0.57 -0.02 2.37 4.05 0.91 0.32 114.93 124.11 2ksi h MET 71 Ca 0.26 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.53 2ksi h MET 71 Cb -0.09 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 2ksi h MET 71 CO -0.05 0.42 -0.47 0.35 0.23 0.00 0.00 176.91 177.39 2ksi h PHE 72 N 0.55 0.04 0.22 1.39 3.57 -1.07 0.48 116.94 122.13 2ksi h PHE 72 Ca 0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2ksi h PHE 72 Cb -0.01 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2ksi h PHE 72 CO -0.03 0.50 -0.11 0.00 -2.23 0.00 0.00 178.31 176.44 2ksi h ALA 73 N 1.50 -0.30 -0.25 2.41 0.00 -0.70 -3.05 119.26 118.87 2ksi h ALA 73 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2ksi h ALA 73 Cb 0.84 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ksi h ALA 73 CO 0.06 -0.28 -0.18 0.82 0.00 0.00 0.00 179.25 179.67 2ksi h ILE 74 N -1.07 1.31 -1.00 0.00 2.04 -0.45 0.32 117.51 118.66 2ksi h ILE 74 Ca -0.03 -1.31 0.17 0.00 1.00 0.00 0.00 64.86 64.69 2ksi h ILE 74 Cb 0.27 1.62 -0.10 0.00 -0.74 0.00 0.00 36.82 37.87 2ksi h ILE 74 CO 0.05 0.41 0.62 1.23 0.00 0.00 0.00 178.15 180.46 2ksi h GLY 75 N 0.27 1.72 -1.49 5.37 0.00 -0.16 0.35 103.07 109.14 2ksi h GLY 75 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2ksi h GLY 75 CO 0.05 -0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.29 2ksi n THR 76 N -4.72 0.45 -2.53 4.70 -2.24 -1.15 -4.60 114.28 104.20 2ksi n THR 76 Ca 0.22 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 2ksi n THR 76 Cb 0.52 0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.24 -0.50 0.23 3.38 0.00 0.12 -4.87 105.19 104.79 2ksi n GLY 77 Ca 0.16 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 1.00 0.49 -2.62 4.61 0.00 -0.60 -3.46 119.26 118.69 2ksi h ALA 78 Ca -0.46 -0.54 -0.49 0.00 0.00 0.00 0.00 54.91 53.42 2ksi h ALA 78 Cb 1.34 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 2ksi h ALA 78 CO 0.54 0.69 -0.76 -0.48 0.00 0.00 0.00 179.25 179.23 2ksi s LEU 79 N -8.52 2.49 -0.02 0.00 0.05 -1.23 -5.05 118.68 106.40 2ksi s LEU 79 Ca -0.10 -0.92 -0.30 0.00 0.05 0.00 0.00 54.13 52.86 2ksi s LEU 79 Cb 0.10 -0.76 -0.05 0.00 -2.05 0.00 0.00 46.19 43.43 2ksi s LEU 79 CO 0.88 -0.09 1.46 -2.16 -0.55 0.00 0.00 176.35 175.89 2ksi s PRO 80 N -3.14 4.25 0.55 1.48 0.04 -1.26 -4.66 135.00 132.26 2ksi s PRO 80 Ca 0.18 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.48 2ksi s PRO 80 Cb -0.04 -3.68 1.56 0.00 0.04 0.00 0.00 34.50 32.38 2ksi s PRO 80 CO 0.07 -0.66 2.18 0.00 0.04 0.00 0.00 177.00 178.62 2ksi h ALA 81 N 8.28 1.63 0.30 8.56 0.00 -1.98 -0.71 119.26 135.33 2ksi h ALA 81 Ca -0.37 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2ksi h ALA 81 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ksi h ALA 81 CO 0.92 0.04 -0.14 0.87 0.00 0.00 0.00 179.25 180.94 2ksi h LYS 82 N 0.00 -0.39 -0.65 0.00 1.57 -1.99 -2.90 116.57 112.22 2ksi h LYS 82 Ca -0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ksi h LYS 82 Cb 0.08 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2ksi h LYS 82 CO 0.00 -0.07 0.41 1.49 -0.57 0.00 0.00 179.45 180.71 2ksi h GLU 83 N -0.96 0.87 -0.28 3.15 4.57 -1.92 0.26 114.58 120.27 2ksi h GLU 83 Ca -0.04 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2ksi h GLU 83 Cb 0.49 -0.19 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 2ksi h GLU 83 CO 0.07 0.60 -0.24 0.00 -1.18 0.00 0.00 179.01 178.26 2ksi h ALA 84 N 1.22 -0.09 0.00 2.92 0.00 -1.22 -0.93 119.26 121.16 2ksi h ALA 84 Ca 0.23 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2ksi h ALA 84 Cb -0.06 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ksi h ALA 84 CO -0.05 -0.65 -0.49 0.52 0.00 0.00 0.00 179.25 178.58 2ksi h MET 85 N -0.22 0.00 -0.58 0.00 2.86 -1.30 -3.15 114.93 112.54 2ksi h MET 85 Ca 0.15 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 2ksi h MET 85 Cb 0.46 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2ksi h MET 85 CO -0.41 0.49 0.39 0.00 1.06 0.00 0.00 176.91 178.44 2ksi h ALA 86 N 1.51 1.81 -0.33 6.32 0.00 0.88 -0.33 119.26 129.12 2ksi h ALA 86 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2ksi h ALA 86 Cb 1.14 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 2ksi h ALA 86 CO 0.06 0.10 0.18 1.04 0.00 0.00 0.00 179.25 180.64 2ksi n GLN 87 N -4.47 1.69 -2.33 0.00 6.02 -0.82 -4.83 117.38 112.64 2ksi n GLN 87 Ca 0.08 -1.11 -0.07 0.00 -0.01 0.00 0.00 57.00 55.89 2ksi n GLN 87 Cb 0.22 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.02 -2.56 -0.61 1.08 9.92 -0.13 -4.75 116.55 119.47 2ksi n ASP 88 Ca 0.19 0.31 0.12 0.00 -0.53 0.00 0.00 54.79 54.88 2ksi n ASP 88 Cb 0.85 -2.28 0.39 0.00 -0.64 0.00 0.00 41.12 39.44 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 -2.54 1.82 -3.74 -1.24 4.76 -1.20 -4.88 118.16 111.13 2ksi n LYS 89 Ca -0.08 -1.21 -0.13 0.00 -2.87 0.00 0.00 58.31 54.01 2ksi n LYS 89 Cb 0.53 -1.44 -0.09 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.84 0.60 -0.28 1.97 -1.94 -1.26 -4.91 119.30 111.64 2ksi s MET 90 Ca 0.34 0.10 0.02 0.00 -1.71 0.00 0.00 55.69 54.44 2ksi s MET 90 Cb 0.19 0.28 0.06 0.00 2.01 0.00 0.00 34.83 37.37 2ksi s MET 90 CO 0.29 -0.14 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.89 2ksi s GLU 91 N -0.75 2.21 -0.03 2.03 2.02 -1.24 -4.85 118.70 118.09 2ksi s GLU 91 Ca -0.08 -1.39 0.05 0.00 0.02 0.00 0.00 54.97 53.57 2ksi s GLU 91 Cb -0.04 -3.01 -0.01 0.00 0.10 0.00 0.00 34.13 31.17 2ksi s GLU 91 CO 0.03 -0.63 -0.20 0.54 0.02 0.00 0.00 175.26 175.03 2ksi s VAL 92 N 1.12 1.58 -0.17 2.63 0.11 -1.26 -1.82 120.40 122.59 2ksi s VAL 92 Ca -0.06 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.15 2ksi s VAL 92 Cb -0.20 -1.33 0.05 0.00 -1.53 0.00 0.00 36.38 33.37 2ksi s VAL 92 CO -0.04 0.45 -0.02 -1.81 -3.33 0.00 0.00 175.10 170.35 2ksi s ASP 93 N -0.24 2.83 0.00 3.54 1.01 0.72 -5.00 116.67 119.54 2ksi s ASP 93 Ca 0.02 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 52.57 2ksi s ASP 93 Cb -0.10 -0.79 0.00 0.00 1.01 0.00 0.00 42.92 43.05 2ksi s ASP 93 CO 0.01 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.77 2ksi n GLY 94 N 4.94 1.57 3.68 0.21 0.00 -1.26 0.49 105.19 114.82 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 -0.63 2.07 -0.30 1.61 -0.06 -1.26 -4.84 117.38 113.97 2ksi n GLN 95 Ca 0.00 0.76 0.02 0.00 -2.00 0.00 0.00 57.00 55.78 2ksi n GLN 95 Cb 0.00 -2.59 0.09 0.00 -4.06 0.00 0.00 30.24 23.68 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 5.42 0.14 -0.15 1.69 2.07 -1.99 0.13 116.25 123.56 2ksi h VAL 96 Ca -0.48 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2ksi h VAL 96 Cb 1.28 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2ksi h VAL 96 CO 0.95 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 178.17 2ksi h GLU 97 N -0.01 -0.01 -0.44 1.57 5.08 -1.96 0.32 114.58 119.13 2ksi h GLU 97 Ca 0.39 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 2ksi h GLU 97 Cb 0.61 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 2ksi h GLU 97 CO -0.87 -0.01 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.76 2ksi h LEU 98 N -0.01 -1.03 -1.10 1.33 3.38 -1.13 0.24 115.31 116.99 2ksi h LEU 98 Ca 0.07 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 2ksi h LEU 98 Cb 0.12 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ksi h LEU 98 CO -0.16 -0.30 -0.24 0.16 0.09 0.00 0.00 178.44 177.99 2ksi h ILE 99 N -0.22 0.59 0.00 1.22 3.07 -1.07 -2.59 117.51 118.52 2ksi h ILE 99 Ca 0.19 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 65.45 2ksi h ILE 99 Cb 0.53 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.85 2ksi h ILE 99 CO -0.56 0.23 0.00 0.49 -1.05 0.00 0.00 178.15 177.26 2ksi n PHE 100 N -3.41 0.80 0.06 0.16 3.01 0.11 -3.06 117.46 115.13 2ksi n PHE 100 Ca 0.00 0.26 -0.12 0.00 1.01 0.00 0.00 57.45 58.60 2ksi n PHE 100 Cb 0.43 -0.93 -0.03 0.00 -0.01 0.00 0.00 39.48 38.95 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 0.51 -0.13 4.37 -0.00 -0.45 -3.09 115.31 116.52 2ksi h LEU 101 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2ksi h LEU 101 Cb 0.56 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2ksi h LEU 101 CO 0.00 1.18 -0.19 0.18 -0.00 0.00 0.00 178.44 179.61 2ksi n LEU 102 N -3.76 0.39 0.16 1.67 4.32 -1.17 -4.01 117.00 114.60 2ksi n LEU 102 Ca -0.06 0.12 -0.14 0.00 -0.02 0.00 0.00 56.01 55.91 2ksi n LEU 102 Cb 0.80 -0.28 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2ksi n LEU 102 CO 0.50 0.08 0.68 -0.33 -1.22 0.00 0.00 177.39 177.10 2ksi h GLU 103 N 0.31 -0.37 0.00 3.23 5.08 -1.50 -1.80 114.58 119.53 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 0.44 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ksi h GLU 103 CO 0.00 -0.14 0.00 -0.35 -1.00 0.00 0.00 179.01 177.52 2ksi n PRO 104 N -5.19 0.11 0.01 2.33 -0.04 -1.26 -2.04 135.00 128.92 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 0.22 -1.50 -0.11 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 0.14 -0.34 0.54 3.72 -1.00 -4.33 117.46 114.80 2ksi n PHE 105 Ca 0.05 0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.62 2ksi n PHE 105 Cb 0.14 -0.44 0.34 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.72 -0.44 4.37 2.04 -0.73 0.12 117.51 123.59 2ksi h ILE 106 Ca 0.00 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 2ksi h ILE 106 Cb 0.85 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2ksi h ILE 106 CO 0.00 0.14 0.01 0.00 0.00 0.00 0.00 178.15 178.30 2ksi h ALA 107 N 1.63 1.20 -0.77 1.87 0.00 -1.76 -2.49 119.26 118.94 2ksi h ALA 107 Ca 0.56 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 55.45 2ksi h ALA 107 Cb 0.90 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2ksi h ALA 107 CO -0.35 0.53 0.59 0.77 0.00 0.00 0.00 179.25 180.80 2ksi h SER 108 N 0.67 0.00 -3.77 0.00 0.02 -1.00 -3.41 113.55 106.06 2ksi h SER 108 Ca 0.14 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.64 2ksi h SER 108 Cb 0.40 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.11 2ksi h SER 108 CO 0.01 0.00 0.17 -0.76 -1.14 0.00 0.00 176.83 175.11 2ksi s LEU 109 N -8.26 1.34 0.00 5.07 1.02 -0.94 -5.00 118.68 111.92 2ksi s LEU 109 Ca -0.05 1.09 0.00 0.00 0.02 0.00 0.00 54.13 55.19 2ksi s LEU 109 Cb 0.20 -3.16 0.00 0.00 0.02 0.00 0.00 46.19 43.25 2ksi s LEU 109 CO 0.71 -3.40 0.00 0.29 0.02 0.00 0.00 176.35 173.97