#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 3.02 1.19 7.83 0.01 -1.26 -5.13 113.70 119.36 2ksi s SER 2 Ca 0.00 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 56.48 2ksi s SER 2 Cb 0.00 -1.40 0.28 0.00 0.21 0.00 0.00 66.02 65.10 2ksi s SER 2 CO 0.00 0.02 1.09 -0.76 0.41 0.00 0.00 173.24 174.01 2ksi s LEU 3 N 1.12 0.71 -0.01 2.44 1.43 -1.26 -4.96 118.68 118.14 2ksi s LEU 3 Ca -0.00 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 2ksi s LEU 3 Cb -0.14 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 2ksi s LEU 3 CO -0.08 -4.07 0.78 0.11 0.23 0.00 0.00 176.35 173.32 2ksi h LYS 4 N -2.54 -0.51 -1.50 1.70 6.56 -2.00 -3.15 116.57 115.13 2ksi h LYS 4 Ca -0.47 0.03 0.44 0.00 -1.06 0.00 0.00 60.65 59.59 2ksi h LYS 4 Cb 1.31 0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 33.01 2ksi h LYS 4 CO 0.38 -0.34 1.06 0.66 -2.06 0.00 0.00 179.45 179.15 2ksi h SER 5 N -0.83 0.06 -0.26 0.86 4.64 -1.95 0.25 113.55 116.32 2ksi h SER 5 Ca -0.05 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 2ksi h SER 5 Cb 0.40 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 2ksi h SER 5 CO 0.09 -0.02 -0.10 -0.78 -0.87 0.00 0.00 176.83 175.15 2ksi h ASP 6 N 0.04 -0.34 -0.98 4.97 1.82 -1.92 -1.27 116.42 118.73 2ksi h ASP 6 Ca 0.75 0.09 0.16 0.00 -0.39 0.00 0.00 57.03 57.64 2ksi h ASP 6 Cb 2.84 0.20 -0.09 0.00 0.68 0.00 0.00 39.33 42.96 2ksi h ASP 6 CO -0.08 -0.13 0.61 -0.08 -1.61 0.00 0.00 179.24 177.95 2ksi h GLU 7 N -0.05 0.78 0.68 0.28 4.81 -0.57 -2.32 114.58 118.19 2ksi h GLU 7 Ca 0.13 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2ksi h GLU 7 Cb 0.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ksi h GLU 7 CO -0.29 0.51 -0.49 0.28 -0.73 0.00 0.00 179.01 178.29 2ksi h VAL 8 N 0.80 0.03 -0.76 0.32 2.07 -1.27 0.17 116.25 117.60 2ksi h VAL 8 Ca 0.53 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.22 2ksi h VAL 8 Cb 0.77 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 2ksi h VAL 8 CO -0.31 0.00 0.20 -0.26 0.02 0.00 0.00 177.57 177.22 2ksi h PHE 9 N -1.12 0.31 -0.10 1.57 0.04 -1.16 -0.57 116.94 115.91 2ksi h PHE 9 Ca -0.09 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2ksi h PHE 9 Cb 0.93 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.05 2ksi h PHE 9 CO -0.16 -0.09 0.06 0.00 -0.60 0.00 0.00 178.31 177.52 2ksi h ALA 10 N 1.63 0.12 -0.29 2.45 0.00 -1.14 -1.54 119.26 120.49 2ksi h ALA 10 Ca 0.44 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.37 2ksi h ALA 10 Cb 0.76 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2ksi h ALA 10 CO -0.52 -0.36 -0.11 0.87 0.00 0.00 0.00 179.25 179.14 2ksi h LYS 11 N 0.08 -0.05 0.46 0.00 1.79 0.51 0.13 116.57 119.50 2ksi h LYS 11 Ca 0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2ksi h LYS 11 Cb 0.05 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2ksi h LYS 11 CO -0.01 -0.03 -0.33 0.82 -1.08 0.00 0.00 179.45 178.82 2ksi h ILE 12 N -0.05 0.32 -0.07 1.86 2.04 -1.08 -0.64 117.51 119.89 2ksi h ILE 12 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2ksi h ILE 12 Cb 0.27 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 2ksi h ILE 12 CO -0.33 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.52 2ksi h ALA 13 N -0.33 -0.39 -0.28 1.87 0.00 -0.99 0.75 119.26 119.88 2ksi h ALA 13 Ca -0.05 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2ksi h ALA 13 Cb 0.65 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2ksi h ALA 13 CO 0.02 -0.80 0.26 -0.22 0.00 0.00 0.00 179.25 178.51 2ksi h LYS 14 N -0.42 0.00 0.04 0.00 3.11 -0.65 0.02 116.57 118.67 2ksi h LYS 14 Ca 0.08 0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.68 2ksi h LYS 14 Cb 0.54 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.77 2ksi h LYS 14 CO -0.30 0.00 -1.03 -0.09 -2.81 0.00 0.00 179.45 175.22 2ksi h ARG 15 N 0.00 0.40 0.00 1.90 1.12 0.69 -3.15 114.38 115.34 2ksi h ARG 15 Ca 0.13 -0.48 -0.01 0.00 -1.11 0.00 0.00 59.98 58.51 2ksi h ARG 15 Cb 0.65 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.76 2ksi h ARG 15 CO -0.00 1.15 -0.06 -0.07 -3.11 0.00 0.00 179.97 177.88 2ksi h LEU 16 N 0.20 0.00 -2.05 3.80 3.38 0.73 -2.42 115.31 118.95 2ksi h LEU 16 Ca -0.10 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.97 2ksi h LEU 16 Cb 1.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2ksi h LEU 16 CO 0.18 0.06 0.37 -0.33 0.09 0.00 0.00 178.44 178.80 2ksi h GLU 17 N 0.00 0.00 0.00 1.13 5.08 -1.46 0.52 114.58 119.85 2ksi h GLU 17 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ksi h GLU 17 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ksi h GLU 17 CO 0.01 0.00 -0.09 0.77 -1.00 0.00 0.00 179.01 178.70 2ksi h SER 18 N 0.00 0.00 -0.77 1.42 0.02 -1.64 -3.44 113.55 109.14 2ksi h SER 18 Ca 0.17 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.54 2ksi h SER 18 Cb 0.90 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 2ksi h SER 18 CO -0.00 0.09 1.56 -0.38 -1.14 0.00 0.00 176.83 176.96 2ksi n ILE 19 N -3.15 0.05 -4.50 3.27 5.41 0.18 -4.91 119.36 115.70 2ksi n ILE 19 Ca 0.02 -0.28 -0.32 0.00 1.00 0.00 0.00 62.75 63.17 2ksi n ILE 19 Cb 0.48 -1.45 -0.11 0.00 -0.71 0.00 0.00 39.64 37.85 2ksi n ILE 19 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2ksi s ASP 20 N 8.80 4.50 0.06 4.38 1.11 -1.26 -5.00 116.67 129.26 2ksi s ASP 20 Ca 1.16 -0.18 0.16 0.00 0.18 0.00 0.00 52.55 53.87 2ksi s ASP 20 Cb -0.89 -1.01 0.69 0.00 1.07 0.00 0.00 42.92 42.78 2ksi s ASP 20 CO 0.46 0.28 1.51 -0.81 1.18 0.00 0.00 175.17 177.79 2ksi n PRO 21 N 1.59 0.05 0.07 8.23 -0.04 -1.26 -2.35 135.00 141.28 2ksi n PRO 21 Ca -0.16 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2ksi n PRO 21 Cb 0.52 -1.59 0.45 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.57 1.96 -3.29 0.55 0.00 -1.26 -4.70 120.51 112.21 2ksi n ALA 22 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.49 2ksi n ALA 22 Cb 0.18 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 2ksi n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ksi s ASN 23 N -3.76 -0.48 0.42 0.00 4.22 -0.99 -5.18 114.94 109.16 2ksi s ASN 23 Ca 0.09 0.55 0.04 0.00 -2.14 0.00 0.00 52.86 51.39 2ksi s ASN 23 Cb 0.12 1.50 -0.01 0.00 1.28 0.00 0.00 41.25 44.14 2ksi s ASN 23 CO 0.44 -0.09 0.14 0.54 -2.04 0.00 0.00 177.10 176.09 2ksi n ARG 24 N 5.05 0.58 0.00 3.55 5.12 -1.26 -4.38 116.66 125.32 2ksi n ARG 24 Ca -0.08 -3.55 0.00 0.00 -1.93 0.00 0.00 57.85 52.29 2ksi n ARG 24 Cb 0.53 1.88 0.00 0.00 -1.16 0.00 0.00 32.46 33.71 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 -0.96 0.00 -3.40 5.56 1.13 -1.26 -5.09 117.38 113.36 2ksi n GLN 25 Ca -0.07 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.01 2ksi n GLN 25 Cb 0.63 -0.85 -0.05 0.00 0.11 0.00 0.00 30.24 30.08 2ksi n GLN 25 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ksi s VAL 26 N -1.74 -0.12 -0.20 5.09 0.11 -1.26 -5.15 120.40 117.12 2ksi s VAL 26 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2ksi s VAL 26 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2ksi s VAL 26 CO 0.00 0.00 0.02 -1.61 -3.33 0.00 0.00 175.10 170.18 2ksi s GLU 27 N 1.77 3.72 0.14 1.54 8.01 -1.26 -5.07 118.70 127.56 2ksi s GLU 27 Ca -0.03 -0.47 -0.24 0.00 0.01 0.00 0.00 54.97 54.24 2ksi s GLU 27 Cb -0.02 -3.14 0.08 0.00 -4.31 0.00 0.00 34.13 26.74 2ksi s GLU 27 CO -0.14 0.07 1.10 -3.38 0.01 0.00 0.00 175.26 172.91 2ksi s HIS 28 N 0.87 0.06 -0.09 1.61 -3.43 -1.26 -5.15 115.29 107.90 2ksi s HIS 28 Ca 0.02 -0.40 -0.13 0.00 -0.80 0.00 0.00 55.06 53.75 2ksi s HIS 28 Cb -0.14 0.67 -0.05 0.00 -1.43 0.00 0.00 32.58 31.63 2ksi s HIS 28 CO 0.02 -0.78 0.33 0.08 -2.00 0.00 0.00 174.74 172.39 2ksi s VAL 29 N -2.12 5.22 0.35 -5.38 1.01 -1.26 -4.32 120.40 113.90 2ksi s VAL 29 Ca 0.24 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.94 2ksi s VAL 29 Cb -0.02 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 2ksi s VAL 29 CO 0.04 0.50 -0.03 -0.31 0.00 0.00 0.00 175.10 175.30 2ksi s TYR 30 N -0.41 2.48 -0.01 5.22 2.02 -1.20 -2.95 117.35 122.50 2ksi s TYR 30 Ca 0.20 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 2ksi s TYR 30 Cb -0.14 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2ksi s TYR 30 CO 0.08 0.51 0.00 0.21 -1.57 0.00 0.00 175.55 174.78 2ksi s LYS 31 N -3.68 0.08 -0.08 -0.62 2.20 -0.46 -2.02 119.74 115.16 2ksi s LYS 31 Ca 0.34 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.01 2ksi s LYS 31 Cb 0.02 -0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.18 2ksi s LYS 31 CO 0.18 -0.05 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.94 2ksi s PHE 32 N 0.42 1.51 -0.09 4.03 0.08 0.17 -1.09 117.98 123.01 2ksi s PHE 32 Ca -0.04 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.37 2ksi s PHE 32 Cb -0.06 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 2ksi s PHE 32 CO -0.01 -0.35 0.01 1.03 -0.10 0.00 0.00 175.22 175.80 2ksi s ARG 33 N 0.93 3.06 -0.09 0.44 0.52 0.71 0.13 118.95 124.65 2ksi s ARG 33 Ca -0.09 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2ksi s ARG 33 Cb -0.15 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2ksi s ARG 33 CO 0.01 0.68 -0.23 0.42 0.02 0.00 0.00 175.30 176.20 2ksi s ILE 34 N -0.80 1.94 -0.03 1.52 -1.09 -0.96 -1.94 121.20 119.84 2ksi s ILE 34 Ca 0.12 -0.95 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 2ksi s ILE 34 Cb -0.11 -1.68 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 2ksi s ILE 34 CO 0.02 0.53 -0.22 0.42 -1.23 0.00 0.00 174.94 174.47 2ksi s THR 35 N 0.37 1.75 -0.27 2.92 -4.23 -1.17 -0.52 115.64 114.48 2ksi s THR 35 Ca -0.18 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2ksi s THR 35 Cb -0.18 -1.46 0.15 0.00 1.34 0.00 0.00 72.50 72.35 2ksi s THR 35 CO 0.08 0.49 0.40 -1.10 -0.54 0.00 0.00 174.62 173.96 2ksi s GLN 36 N -0.35 0.39 0.00 3.99 -0.21 -0.70 -2.96 119.66 119.82 2ksi s GLN 36 Ca 0.04 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.81 2ksi s GLN 36 Cb -0.10 -0.35 0.00 0.00 1.00 0.00 0.00 33.01 33.56 2ksi s GLN 36 CO 0.01 -0.81 0.00 0.41 -2.12 0.00 0.00 175.29 172.78 2ksi n GLY 37 N 5.36 1.26 0.00 3.09 0.00 -1.26 -4.43 105.19 109.21 2ksi n GLY 37 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.18 1.06 3.12 -0.02 0.00 -1.26 -5.05 105.19 101.87 2ksi n GLY 38 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.97 0.70 0.05 1.61 2.20 -1.26 -5.11 119.74 116.97 2ksi s LYS 39 Ca 0.00 -1.17 -0.33 0.00 -0.36 0.00 0.00 55.97 54.11 2ksi s LYS 39 Cb 0.00 -0.11 -0.12 0.00 -1.51 0.00 0.00 37.83 36.09 2ksi s LYS 39 CO 0.00 -0.03 1.79 1.55 -0.36 0.00 0.00 175.35 178.30 2ksi n VAL 40 N 0.35 0.37 0.01 4.02 3.14 -1.26 -1.71 118.33 123.24 2ksi n VAL 40 Ca -0.15 -0.07 -0.13 0.00 -2.96 0.00 0.00 64.34 61.04 2ksi n VAL 40 Cb 0.59 -1.88 -0.14 0.00 -1.06 0.00 0.00 33.84 31.35 2ksi n VAL 40 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 2ksi h VAL 41 N 4.72 0.96 -1.24 1.55 3.04 -1.09 -3.46 116.25 120.73 2ksi h VAL 41 Ca -0.47 -2.73 0.17 0.00 -1.01 0.00 0.00 66.70 62.67 2ksi h VAL 41 Cb 1.25 2.56 -0.28 0.00 -2.01 0.00 0.00 31.29 32.81 2ksi h VAL 41 CO 0.93 0.69 0.78 -0.54 -1.01 0.00 0.00 177.57 178.42 2ksi s LYS 42 N -2.61 0.23 0.52 4.17 3.01 -1.15 -5.04 119.74 118.88 2ksi s LYS 42 Ca -0.09 0.13 -0.06 0.00 -1.01 0.00 0.00 55.97 54.95 2ksi s LYS 42 Cb 0.08 0.11 -0.02 0.00 -1.01 0.00 0.00 37.83 36.99 2ksi s LYS 42 CO 0.82 -0.06 0.83 -0.80 0.51 0.00 0.00 175.35 176.66 2ksi s ASN 43 N -0.59 6.02 0.01 2.83 0.01 -1.26 -2.26 114.94 119.70 2ksi s ASN 43 Ca 0.05 0.86 -0.05 0.00 -0.71 0.00 0.00 52.86 53.02 2ksi s ASN 43 Cb -0.02 -2.06 -0.00 0.00 0.41 0.00 0.00 41.25 39.57 2ksi s ASN 43 CO -0.08 -0.76 0.09 0.26 -1.51 0.00 0.00 177.10 175.10 2ksi s TRP 44 N -2.84 0.11 0.01 2.20 0.51 0.36 -2.63 118.94 116.66 2ksi s TRP 44 Ca 0.50 -0.26 0.03 0.00 -2.12 0.00 0.00 56.10 54.25 2ksi s TRP 44 Cb -0.10 -0.09 -0.01 0.00 -0.81 0.00 0.00 33.47 32.45 2ksi s TRP 44 CO 0.45 -0.26 -0.08 0.54 -0.51 0.00 0.00 176.95 177.08 2ksi s VAL 45 N -1.46 0.64 -0.45 4.03 0.11 0.00 0.41 120.40 123.70 2ksi s VAL 45 Ca -0.15 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.16 2ksi s VAL 45 Cb -0.08 -0.59 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2ksi s VAL 45 CO 0.01 0.01 0.38 -0.32 -3.33 0.00 0.00 175.10 171.85 2ksi s MET 46 N -0.64 3.00 -1.09 1.54 1.75 -0.86 -2.15 119.30 120.86 2ksi s MET 46 Ca -0.00 -1.12 -0.19 0.00 -1.25 0.00 0.00 55.69 53.13 2ksi s MET 46 Cb -0.05 -4.05 0.09 0.00 2.84 0.00 0.00 34.83 33.66 2ksi s MET 46 CO 0.00 -0.92 1.43 0.34 -0.65 0.00 0.00 175.02 175.22 2ksi s ASP 47 N 2.16 6.69 0.00 1.11 -1.08 -1.13 -3.27 116.67 121.16 2ksi s ASP 47 Ca 0.06 -2.06 0.20 0.00 -0.52 0.00 0.00 52.55 50.24 2ksi s ASP 47 Cb -0.21 -2.50 0.95 0.00 -1.46 0.00 0.00 42.92 39.70 2ksi s ASP 47 CO 0.09 -1.20 1.63 0.18 0.52 0.00 0.00 175.17 176.39 2ksi n LEU 48 N 7.69 0.00 -0.07 -1.34 4.32 -1.26 -1.01 117.00 125.33 2ksi n LEU 48 Ca 0.35 0.37 -0.10 0.00 -0.02 0.00 0.00 56.01 56.60 2ksi n LEU 48 Cb 0.48 -0.37 -0.07 0.00 -1.62 0.00 0.00 43.42 41.85 2ksi n LEU 48 CO 0.64 -0.12 -0.06 0.11 -1.22 0.00 0.00 177.39 176.74 2ksi h LYS 49 N 0.00 0.00 -0.00 3.23 1.57 -1.86 -3.36 116.57 116.15 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2ksi h LYS 49 CO 0.00 0.53 -0.23 -1.71 -0.57 0.00 0.00 179.45 177.47 2ksi n ASN 50 N -4.62 0.30 -2.52 0.86 5.15 -1.22 -4.94 115.26 108.28 2ksi n ASN 50 Ca -0.11 -0.01 -0.14 0.00 -0.60 0.00 0.00 54.58 53.72 2ksi n ASN 50 Cb 0.35 -0.11 0.05 0.00 -0.53 0.00 0.00 39.78 39.55 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 -1.40 -2.55 -3.73 3.44 0.31 -0.18 -5.03 118.33 109.19 2ksi n VAL 51 Ca 0.08 -0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 2ksi n VAL 51 Cb 0.33 -3.43 -0.11 0.00 -0.91 0.00 0.00 33.84 29.72 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 -5.54 0.37 0.11 5.55 2.47 -0.90 -4.60 119.74 117.19 2ksi s LYS 52 Ca 0.26 0.60 -0.25 0.00 -1.56 0.00 0.00 55.97 55.02 2ksi s LYS 52 Cb -0.11 0.07 -0.07 0.00 -1.46 0.00 0.00 37.83 36.26 2ksi s LYS 52 CO 0.47 -0.11 0.77 -0.51 0.16 0.00 0.00 175.35 176.13 2ksi s LEU 53 N 0.79 4.52 0.18 5.43 1.02 -1.26 -2.83 118.68 126.53 2ksi s LEU 53 Ca -0.05 1.55 0.00 0.00 0.02 0.00 0.00 54.13 55.65 2ksi s LEU 53 Cb -0.06 -3.26 -0.04 0.00 0.02 0.00 0.00 46.19 42.85 2ksi s LEU 53 CO -0.06 0.12 0.06 0.68 0.02 0.00 0.00 176.35 177.17 2ksi s VAL 54 N -0.62 0.36 -0.42 -1.59 -7.23 -0.91 -4.97 120.40 105.01 2ksi s VAL 54 Ca 0.37 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.44 2ksi s VAL 54 Cb -0.22 -2.26 0.05 0.00 0.56 0.00 0.00 36.38 34.51 2ksi s VAL 54 CO 0.25 -0.30 0.30 -1.83 -0.31 0.00 0.00 175.10 173.21 2ksi s GLU 55 N -4.02 2.86 0.03 4.82 4.04 -1.26 -0.82 118.70 124.35 2ksi s GLU 55 Ca 0.29 -1.23 -0.28 0.00 0.04 0.00 0.00 54.97 53.79 2ksi s GLU 55 Cb 0.07 -3.93 0.09 0.00 0.02 0.00 0.00 34.13 30.38 2ksi s GLU 55 CO 0.07 -0.87 0.98 -1.12 -1.84 0.00 0.00 175.26 172.47 2ksi s SER 56 N 2.04 -0.25 -0.21 0.83 0.01 -1.08 -4.87 113.70 110.16 2ksi s SER 56 Ca 0.03 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2ksi s SER 56 Cb -0.22 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.42 2ksi s SER 56 CO 0.07 -0.65 -0.15 1.51 0.41 0.00 0.00 173.24 174.43 2ksi s ASP 57 N -2.65 3.72 0.07 2.44 -4.77 -1.26 -2.71 116.67 111.51 2ksi s ASP 57 Ca 0.09 -0.86 -0.10 0.00 -3.30 0.00 0.00 52.55 48.38 2ksi s ASP 57 Cb -0.01 -1.54 0.00 0.00 -1.09 0.00 0.00 42.92 40.28 2ksi s ASP 57 CO -0.04 -0.07 0.21 -1.81 0.70 0.00 0.00 175.17 174.15 2ksi s ASP 58 N 1.26 0.06 -0.72 2.11 1.11 -1.26 -5.08 116.67 114.15 2ksi s ASP 58 Ca 0.01 -0.51 -0.26 0.00 0.18 0.00 0.00 52.55 51.97 2ksi s ASP 58 Cb -0.15 0.33 -0.11 0.00 1.07 0.00 0.00 42.92 44.05 2ksi s ASP 58 CO -0.09 -0.66 2.37 0.00 1.18 0.00 0.00 175.17 177.97 2ksi s ALA 59 N -3.30 0.99 0.14 5.23 0.00 -1.26 -4.92 121.76 118.64 2ksi s ALA 59 Ca 0.01 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 2ksi s ALA 59 Cb 0.02 -4.52 -0.06 0.00 0.00 0.00 0.00 23.12 18.57 2ksi s ALA 59 CO -0.08 -5.48 0.39 0.00 0.00 0.00 0.00 175.76 170.59 2ksi s ALA 60 N 13.83 3.77 0.47 0.00 0.00 -1.26 -4.98 121.76 133.60 2ksi s ALA 60 Ca 0.92 -0.52 0.33 0.00 0.00 0.00 0.00 51.96 52.69 2ksi s ALA 60 Cb -0.14 -2.16 1.75 0.00 0.00 0.00 0.00 23.12 22.57 2ksi s ALA 60 CO 0.12 0.65 2.17 0.93 0.00 0.00 0.00 175.76 179.63 2ksi h GLU 61 N 2.96 0.00 -3.36 0.00 3.07 -1.88 -3.41 114.58 111.97 2ksi h GLU 61 Ca -0.47 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.07 2ksi h GLU 61 Cb 1.17 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 28.72 2ksi h GLU 61 CO 0.71 0.05 -0.71 0.00 -1.40 0.00 0.00 179.01 177.66 2ksi s ALA 62 N -4.21 0.10 -0.19 3.43 0.00 -1.24 -4.66 121.76 114.99 2ksi s ALA 62 Ca -0.03 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 2ksi s ALA 62 Cb 0.13 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2ksi s ALA 62 CO 0.53 -0.34 0.06 0.99 0.00 0.00 0.00 175.76 177.01 2ksi s THR 63 N 1.72 4.76 -0.21 0.00 2.01 0.23 -1.35 115.64 122.80 2ksi s THR 63 Ca -0.01 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2ksi s THR 63 Cb -0.12 -3.15 0.05 0.00 0.01 0.00 0.00 72.50 69.29 2ksi s THR 63 CO -0.04 0.45 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 2ksi s LEU 64 N 0.44 2.13 -0.18 4.42 1.43 -0.25 -0.31 118.68 126.36 2ksi s LEU 64 Ca 0.03 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 2ksi s LEU 64 Cb -0.13 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 2ksi s LEU 64 CO 0.01 -0.21 0.11 -0.89 0.23 0.00 0.00 176.35 175.59 2ksi s THR 65 N 1.50 5.21 0.09 5.49 2.01 -1.11 -0.21 115.64 128.62 2ksi s THR 65 Ca -0.03 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 2ksi s THR 65 Cb -0.17 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.05 2ksi s THR 65 CO -0.07 0.47 0.56 -0.04 -0.69 0.00 0.00 174.62 174.85 2ksi s MET 66 N 0.15 1.14 0.50 4.92 -1.94 -0.82 -4.04 119.30 119.21 2ksi s MET 66 Ca 0.08 -0.32 -0.04 0.00 -1.71 0.00 0.00 55.69 53.70 2ksi s MET 66 Cb -0.12 0.52 -0.01 0.00 2.01 0.00 0.00 34.83 37.24 2ksi s MET 66 CO -0.01 -0.45 0.78 -1.21 -0.01 0.00 0.00 175.02 174.13 2ksi s GLU 67 N -2.95 3.20 0.13 2.03 0.41 -1.26 -3.07 118.70 117.18 2ksi s GLU 67 Ca -0.03 -0.09 -0.31 0.00 -0.41 0.00 0.00 54.97 54.14 2ksi s GLU 67 Cb -0.00 -2.41 -0.08 0.00 -1.78 0.00 0.00 34.13 29.86 2ksi s GLU 67 CO -0.06 -0.37 1.57 0.22 -0.49 0.00 0.00 175.26 176.13 2ksi h ASP 68 N 0.17 -1.48 -0.82 -0.19 3.58 -1.89 -0.81 116.42 114.98 2ksi h ASP 68 Ca -0.46 0.19 0.16 0.00 0.42 0.00 0.00 57.03 57.34 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 0.60 -0.45 0.37 -0.78 -2.88 0.00 0.00 179.24 176.10 2ksi h ASP 69 N -0.53 0.37 -0.47 2.28 1.82 -1.95 -0.75 116.42 117.20 2ksi h ASP 69 Ca 0.06 0.11 0.07 0.00 -0.39 0.00 0.00 57.03 56.88 2ksi h ASP 69 Cb 0.65 0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.68 2ksi h ASP 69 CO -0.42 0.12 0.15 0.40 -1.61 0.00 0.00 179.24 177.88 2ksi h ILE 70 N 0.50 0.82 -0.80 2.25 1.08 -1.56 -1.19 117.51 118.59 2ksi h ILE 70 Ca 0.46 -0.11 0.15 0.00 -0.39 0.00 0.00 64.86 64.98 2ksi h ILE 70 Cb 0.73 0.49 -0.10 0.00 -3.07 0.00 0.00 36.82 34.87 2ksi h ILE 70 CO -0.42 0.06 0.36 0.24 -0.69 0.00 0.00 178.15 177.70 2ksi h MET 71 N 0.31 0.50 -0.03 2.37 2.86 -0.21 0.52 114.93 121.24 2ksi h MET 71 Ca 0.22 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2ksi h MET 71 Cb 0.25 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2ksi h MET 71 CO -0.25 0.33 -0.50 0.35 1.06 0.00 0.00 176.91 177.90 2ksi h PHE 72 N 0.51 0.09 0.22 -0.22 3.57 -1.16 0.52 116.94 120.48 2ksi h PHE 72 Ca 0.45 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 2ksi h PHE 72 Cb 0.67 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2ksi h PHE 72 CO -0.13 0.57 -0.10 0.00 -2.23 0.00 0.00 178.31 176.41 2ksi h ALA 73 N 1.43 -0.29 -0.22 2.41 0.00 0.40 -3.08 119.26 119.91 2ksi h ALA 73 Ca -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2ksi h ALA 73 Cb 0.91 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ksi h ALA 73 CO 0.07 -0.27 -0.23 0.82 0.00 0.00 0.00 179.25 179.63 2ksi h ILE 74 N -1.08 1.32 -0.95 0.00 2.04 -0.20 0.32 117.51 118.96 2ksi h ILE 74 Ca -0.03 -1.41 0.18 0.00 1.00 0.00 0.00 64.86 64.60 2ksi h ILE 74 Cb 0.23 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 2ksi h ILE 74 CO 0.05 0.43 0.61 1.23 0.00 0.00 0.00 178.15 180.47 2ksi h GLY 75 N 0.23 1.36 -0.52 5.37 0.00 -0.08 0.31 103.07 109.75 2ksi h GLY 75 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2ksi h GLY 75 CO 0.06 0.01 -0.14 -1.30 0.00 0.00 0.00 176.54 175.17 2ksi n THR 76 N -4.63 0.00 -2.21 4.70 -2.24 -1.16 -4.42 114.28 104.32 2ksi n THR 76 Ca 0.21 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2ksi n THR 76 Cb 0.58 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.28 -0.11 0.15 3.38 0.00 0.11 -4.78 105.19 105.22 2ksi n GLY 77 Ca 0.15 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 0.59 -0.11 -3.37 4.61 0.00 -0.62 -3.46 119.26 116.89 2ksi h ALA 78 Ca -0.30 -0.79 -0.66 0.00 0.00 0.00 0.00 54.91 53.16 2ksi h ALA 78 Cb 1.21 0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 2ksi h ALA 78 CO 0.36 0.60 -0.79 -0.51 0.00 0.00 0.00 179.25 178.91 2ksi s LEU 79 N -7.75 2.67 -0.07 0.00 1.43 -1.19 -5.03 118.68 108.74 2ksi s LEU 79 Ca -0.10 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 2ksi s LEU 79 Cb 0.03 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2ksi s LEU 79 CO 0.91 0.14 1.51 -2.16 0.23 0.00 0.00 176.35 176.98 2ksi s PRO 80 N -2.50 4.21 0.29 1.29 0.04 -1.26 -4.53 135.00 132.55 2ksi s PRO 80 Ca 0.20 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.24 2ksi s PRO 80 Cb -0.09 -3.85 0.43 0.00 0.04 0.00 0.00 34.50 31.03 2ksi s PRO 80 CO 0.11 -0.76 1.93 0.00 0.04 0.00 0.00 177.00 178.32 2ksi h ALA 81 N 8.88 1.36 0.52 8.56 0.00 -1.97 -0.09 119.26 136.52 2ksi h ALA 81 Ca -0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2ksi h ALA 81 Cb 1.16 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2ksi h ALA 81 CO 0.95 0.54 -0.25 0.87 0.00 0.00 0.00 179.25 181.36 2ksi h LYS 82 N 1.04 -0.68 -0.59 0.00 1.79 -1.99 -2.66 116.57 113.48 2ksi h LYS 82 Ca 0.27 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.84 2ksi h LYS 82 Cb -0.03 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 2ksi h LYS 82 CO -0.05 -0.37 0.32 1.49 -1.08 0.00 0.00 179.45 179.75 2ksi h GLU 83 N -0.96 0.58 -0.47 3.15 4.22 -1.95 0.37 114.58 119.52 2ksi h GLU 83 Ca -0.07 -0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.43 2ksi h GLU 83 Cb 0.62 -0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 2ksi h GLU 83 CO 0.12 0.38 -0.13 0.00 -2.18 0.00 0.00 179.01 177.20 2ksi h ALA 84 N 1.32 0.29 0.00 2.92 0.00 -1.01 -0.32 119.26 122.45 2ksi h ALA 84 Ca 0.26 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 2ksi h ALA 84 Cb 0.16 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ksi h ALA 84 CO -0.17 -0.46 -0.56 0.52 0.00 0.00 0.00 179.25 178.57 2ksi h MET 85 N -0.02 0.00 -0.28 0.00 2.86 -1.07 -3.18 114.93 113.24 2ksi h MET 85 Ca 0.23 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2ksi h MET 85 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2ksi h MET 85 CO -0.49 0.56 0.19 0.00 1.06 0.00 0.00 176.91 178.23 2ksi h ALA 86 N 1.44 1.85 -0.31 6.32 0.00 0.14 -1.04 119.26 127.66 2ksi h ALA 86 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2ksi h ALA 86 Cb 1.29 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2ksi h ALA 86 CO 0.07 0.13 0.18 1.04 0.00 0.00 0.00 179.25 180.67 2ksi n GLN 87 N -4.50 1.60 -2.26 0.00 6.02 -0.74 -4.82 117.38 112.69 2ksi n GLN 87 Ca 0.02 -1.02 -0.06 0.00 -0.01 0.00 0.00 57.00 55.92 2ksi n GLN 87 Cb 0.10 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 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 -0.00 -2.39 -0.62 1.08 8.00 -0.39 -4.75 116.55 117.48 2ksi n ASP 88 Ca 0.18 0.31 0.10 0.00 0.71 0.00 0.00 54.79 56.09 2ksi n ASP 88 Cb 0.83 -2.16 0.32 0.00 -0.02 0.00 0.00 41.12 40.09 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 -2.46 1.81 -3.48 -1.24 5.02 -1.22 -4.89 118.16 111.70 2ksi n LYS 89 Ca -0.08 -1.22 -0.15 0.00 -2.02 0.00 0.00 58.31 54.84 2ksi n LYS 89 Cb 0.50 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 2ksi n LYS 89 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ksi s MET 90 N -1.71 1.13 -0.26 1.97 -1.94 -1.26 -4.93 119.30 112.29 2ksi s MET 90 Ca 0.31 -0.03 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 2ksi s MET 90 Cb 0.17 0.53 0.07 0.00 2.01 0.00 0.00 34.83 37.60 2ksi s MET 90 CO 0.25 -0.41 -0.06 -1.21 -0.01 0.00 0.00 175.02 173.57 2ksi s GLU 91 N -2.18 1.85 -0.02 2.03 8.01 -1.26 -4.86 118.70 122.27 2ksi s GLU 91 Ca -0.06 -1.26 0.08 0.00 0.01 0.00 0.00 54.97 53.74 2ksi s GLU 91 Cb -0.00 -2.78 -0.02 0.00 -4.31 0.00 0.00 34.13 27.02 2ksi s GLU 91 CO 0.01 -0.64 -0.25 0.54 0.01 0.00 0.00 175.26 174.93 2ksi s VAL 92 N 1.21 2.17 -0.16 2.63 0.11 -1.26 -2.75 120.40 122.34 2ksi s VAL 92 Ca -0.05 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 57.89 2ksi s VAL 92 Cb -0.19 -1.77 0.05 0.00 -1.53 0.00 0.00 36.38 32.93 2ksi s VAL 92 CO -0.06 0.56 -0.02 -1.81 -3.33 0.00 0.00 175.10 170.43 2ksi s ASP 93 N -0.70 2.72 0.00 3.54 1.01 0.58 -5.00 116.67 118.82 2ksi s ASP 93 Ca 0.10 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.72 2ksi s ASP 93 Cb -0.10 -0.77 0.00 0.00 1.01 0.00 0.00 42.92 43.06 2ksi s ASP 93 CO -0.00 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.76 2ksi n GLY 94 N 4.95 1.58 3.65 0.21 0.00 -1.26 0.73 105.19 115.05 2ksi n GLY 94 Ca -0.10 -0.95 -0.49 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.62 1.99 -0.28 1.61 0.00 -1.26 -4.84 117.38 113.98 2ksi n GLN 95 Ca 0.00 0.70 0.01 0.00 -0.00 0.00 0.00 57.00 57.71 2ksi n GLN 95 Cb 0.00 -2.66 0.08 0.00 0.00 0.00 0.00 30.24 27.66 2ksi n GLN 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2ksi h VAL 96 N 5.82 0.16 -0.11 1.69 2.07 -1.99 0.83 116.25 124.73 2ksi h VAL 96 Ca -0.45 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2ksi h VAL 96 Cb 1.28 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2ksi h VAL 96 CO 0.96 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 178.21 2ksi h GLU 97 N -0.03 0.03 -0.40 1.57 5.08 -1.96 0.20 114.58 119.07 2ksi h GLU 97 Ca 0.36 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.80 2ksi h GLU 97 Cb 0.59 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2ksi h GLU 97 CO -0.83 0.02 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.82 2ksi h LEU 98 N 0.03 -1.03 -1.27 1.33 -0.00 -1.24 0.32 115.31 113.44 2ksi h LEU 98 Ca 0.05 0.19 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 2ksi h LEU 98 Cb 0.06 0.49 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2ksi h LEU 98 CO -0.09 -0.31 -0.05 0.16 -0.00 0.00 0.00 178.44 178.15 2ksi h ILE 99 N -0.24 0.12 0.00 1.22 3.07 -1.08 -2.49 117.51 118.12 2ksi h ILE 99 Ca 0.18 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 65.90 2ksi h ILE 99 Cb 0.53 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2ksi h ILE 99 CO -0.53 0.05 0.00 0.33 -1.05 0.00 0.00 178.15 176.94 2ksi n PHE 100 N -3.16 0.73 0.09 0.16 7.35 0.86 -3.31 117.46 120.18 2ksi n PHE 100 Ca 0.01 0.21 -0.08 0.00 -0.76 0.00 0.00 57.45 56.83 2ksi n PHE 100 Cb 0.35 -0.85 0.00 0.00 0.35 0.00 0.00 39.48 39.33 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 0.24 -0.34 -2.13 -0.00 -0.36 -3.09 115.31 109.62 2ksi h LEU 101 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2ksi h LEU 101 Cb 0.68 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2ksi h LEU 101 CO 0.00 0.98 -0.24 0.18 -0.00 0.00 0.00 178.44 179.36 2ksi n LEU 102 N -3.66 0.78 0.18 1.67 4.32 -1.21 -4.14 117.00 114.94 2ksi n LEU 102 Ca -0.03 -0.13 -0.13 0.00 -0.02 0.00 0.00 56.01 55.69 2ksi n LEU 102 Cb 0.79 -0.17 -0.08 0.00 -1.62 0.00 0.00 43.42 42.35 2ksi n LEU 102 CO 0.47 0.15 0.50 -0.33 -1.22 0.00 0.00 177.39 176.96 2ksi h GLU 103 N 0.84 -0.48 0.00 3.23 5.08 -1.55 -2.25 114.58 119.45 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 0.47 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.82 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 -5.16 0.18 0.01 2.33 -0.04 -1.26 -2.04 135.00 129.02 2ksi n PRO 104 Ca -0.10 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2ksi n PRO 104 Cb 0.28 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.31 0.12 0.02 0.54 3.01 -1.15 -4.26 117.46 114.43 2ksi n PHE 105 Ca 0.07 0.04 0.22 0.00 1.01 0.00 0.00 57.45 58.78 2ksi n PHE 105 Cb 0.12 -0.47 0.73 0.00 -0.01 0.00 0.00 39.48 39.86 2ksi n PHE 105 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2ksi h ILE 106 N 0.00 0.50 -0.48 4.37 2.04 -0.80 -0.00 117.51 123.13 2ksi h ILE 106 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2ksi h ILE 106 Cb 0.90 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2ksi h ILE 106 CO 0.00 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.28 2ksi h ALA 107 N 1.57 0.63 -0.42 1.87 0.00 -1.76 -2.41 119.26 118.74 2ksi h ALA 107 Ca 0.25 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2ksi h ALA 107 Cb 1.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2ksi h ALA 107 CO -0.00 0.30 0.52 0.77 0.00 0.00 0.00 179.25 180.84 2ksi h SER 108 N 0.65 0.00 -4.14 0.00 0.02 -1.26 -3.41 113.55 105.40 2ksi h SER 108 Ca 0.15 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.65 2ksi h SER 108 Cb 0.30 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.98 2ksi h SER 108 CO -0.00 0.00 0.30 -0.76 -1.14 0.00 0.00 176.83 175.23 2ksi s LEU 109 N -7.10 1.98 0.00 5.07 1.02 -0.91 -5.08 118.68 113.67 2ksi s LEU 109 Ca -0.04 0.81 0.00 0.00 0.02 0.00 0.00 54.13 54.92 2ksi s LEU 109 Cb 0.14 -3.03 0.00 0.00 0.02 0.00 0.00 46.19 43.32 2ksi s LEU 109 CO 0.50 -2.73 0.00 2.29 0.02 0.00 0.00 176.35 176.43