#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsi s GLN 2 N 0.00 0.04 -0.37 0.54 0.74 -1.26 -5.11 119.66 114.24 1hsi s GLN 2 Ca 0.00 0.39 -0.23 0.00 0.05 0.00 0.00 55.36 55.56 1hsi s GLN 2 Cb 0.00 -0.68 0.01 0.00 1.10 0.00 0.00 33.01 33.44 1hsi s GLN 2 CO 0.00 -0.41 0.80 -0.06 -0.55 0.00 0.00 175.29 175.06 1hsi s PHE 3 N 2.25 3.10 0.52 1.67 0.40 -1.26 -5.02 117.98 119.64 1hsi s PHE 3 Ca 0.04 0.56 -0.23 0.00 -0.60 0.00 0.00 56.93 56.70 1hsi s PHE 3 Cb -0.13 -3.44 -0.06 0.00 0.51 0.00 0.00 43.02 39.90 1hsi s PHE 3 CO -0.07 -0.75 1.35 -1.13 0.70 0.00 0.00 175.22 175.32 1hsi n SER 4 N 6.47 2.74 -1.33 1.36 3.41 -1.26 -4.92 113.62 120.09 1hsi n SER 4 Ca 0.03 1.01 0.12 0.00 -0.26 0.00 0.00 58.87 59.78 1hsi n SER 4 Cb 0.48 -1.57 0.31 0.00 -0.26 0.00 0.00 64.21 63.18 1hsi n SER 4 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1hsi n LEU 5 N -0.71 3.88 0.22 1.04 4.77 -1.26 -4.21 117.00 120.73 1hsi n LEU 5 Ca 0.09 -1.91 0.10 0.00 -0.03 0.00 0.00 56.01 54.26 1hsi n LEU 5 Cb 0.44 -0.46 0.42 0.00 -2.33 0.00 0.00 43.42 41.49 1hsi n LEU 5 CO 0.55 0.96 0.80 -0.50 -1.33 0.00 0.00 177.39 177.86 1hsi h TRP 6 N 4.32 0.00 -2.74 -1.77 4.06 -2.04 -3.43 115.95 114.36 1hsi h TRP 6 Ca 0.00 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.43 1hsi h TRP 6 Cb 0.98 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.00 1hsi h TRP 6 CO 0.46 0.21 -0.75 -1.59 -3.56 0.00 0.00 178.44 173.21 1hsi s LYS 7 N -3.56 1.44 0.15 0.49 -2.85 -1.26 -5.10 119.74 109.06 1hsi s LYS 7 Ca 0.01 -1.62 -0.32 0.00 -1.00 0.00 0.00 55.97 53.04 1hsi s LYS 7 Cb 0.09 -1.39 -0.12 0.00 -2.06 0.00 0.00 37.83 34.35 1hsi s LYS 7 CO 0.64 0.25 1.73 0.54 0.10 0.00 0.00 175.35 178.62 1hsi n ARG 8 N -0.33 2.59 -1.92 1.78 1.74 -1.26 -4.83 116.66 114.43 1hsi n ARG 8 Ca -0.08 0.94 -0.40 0.00 -0.77 0.00 0.00 57.85 57.54 1hsi n ARG 8 Cb 0.60 -2.78 -0.02 0.00 -1.02 0.00 0.00 32.46 29.23 1hsi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hsi n PRO 9 N 4.54 2.42 -3.42 5.56 -0.04 -1.26 -4.91 135.00 137.90 1hsi n PRO 9 Ca 0.17 -2.61 -0.30 0.00 -0.04 0.00 0.00 63.50 60.72 1hsi n PRO 9 Cb 0.34 -3.36 -0.04 0.00 -0.04 0.00 0.00 33.50 30.40 1hsi n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hsi s VAL 10 N 5.40 5.01 0.20 0.52 1.01 -1.26 -1.56 120.40 129.72 1hsi s VAL 10 Ca 0.55 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 1hsi s VAL 10 Cb 0.08 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.83 1hsi s VAL 10 CO 0.05 -0.17 0.58 0.54 0.00 0.00 0.00 175.10 176.10 1hsi s VAL 11 N -1.91 0.01 -0.27 2.92 0.11 -0.30 -4.98 120.40 115.99 1hsi s VAL 11 Ca 0.45 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1hsi s VAL 11 Cb -0.11 -1.48 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1hsi s VAL 11 CO 0.26 -0.07 0.20 0.42 -3.33 0.00 0.00 175.10 172.58 1hsi s THR 12 N -3.84 5.31 0.22 5.04 -4.23 -1.26 -0.22 115.64 116.65 1hsi s THR 12 Ca 0.07 0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.85 1hsi s THR 12 Cb -0.02 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 1hsi s THR 12 CO -0.04 0.27 0.25 0.00 -0.54 0.00 0.00 174.62 174.55 1hsi s ALA 13 N 1.61 3.74 -0.41 3.99 0.00 -0.57 -4.60 121.76 125.51 1hsi s ALA 13 Ca 0.08 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 1hsi s ALA 13 Cb -0.15 -1.50 0.10 0.00 0.00 0.00 0.00 23.12 21.57 1hsi s ALA 13 CO 0.09 0.32 0.22 0.71 0.00 0.00 0.00 175.76 177.10 1hsi s TYR 14 N -1.98 3.50 -0.66 0.00 2.02 -0.39 -1.54 117.35 118.30 1hsi s TYR 14 Ca 0.33 -2.16 -0.21 0.00 -0.37 0.00 0.00 57.07 54.66 1hsi s TYR 14 Cb -0.09 -3.13 0.09 0.00 -0.40 0.00 0.00 41.96 38.43 1hsi s TYR 14 CO 0.26 -0.94 0.90 0.42 -1.57 0.00 0.00 175.55 174.62 1hsi s ILE 15 N 1.23 4.51 -0.97 2.71 -1.09 0.23 -1.76 121.20 126.06 1hsi s ILE 15 Ca 0.06 -0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 57.76 1hsi s ILE 15 Cb -0.23 -4.64 0.01 0.00 -1.58 0.00 0.00 42.46 36.02 1hsi s ILE 15 CO -0.03 -1.37 0.84 1.21 -1.23 0.00 0.00 174.94 174.37 1hsi n GLU 16 N 7.18 -5.63 0.00 2.79 4.07 0.13 -2.30 120.64 126.87 1hsi n GLU 16 Ca -0.03 0.61 0.00 0.00 -0.06 0.00 0.00 57.16 57.68 1hsi n GLU 16 Cb 0.45 -4.97 0.00 0.00 -0.06 0.00 0.00 31.44 26.86 1hsi n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1hsi n GLY 17 N -1.50 2.63 3.74 8.31 0.00 -1.26 -5.01 105.19 112.10 1hsi n GLY 17 Ca -0.04 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1hsi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hsi s GLN 18 N 0.00 4.72 -0.07 1.61 -0.21 -0.97 -4.93 119.66 119.80 1hsi s GLN 18 Ca 0.00 1.60 -0.15 0.00 0.02 0.00 0.00 55.36 56.83 1hsi s GLN 18 Cb 0.00 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 1hsi s GLN 18 CO 0.00 0.29 0.38 -2.14 -2.12 0.00 0.00 175.29 171.70 1hsi s PRO 19 N -0.82 4.07 0.03 2.91 0.02 -1.26 0.75 135.00 140.70 1hsi s PRO 19 Ca 0.45 0.31 0.00 0.00 0.02 0.00 0.00 61.00 61.78 1hsi s PRO 19 Cb -0.28 -3.32 -0.02 0.00 0.02 0.00 0.00 34.50 30.90 1hsi s PRO 19 CO 0.34 0.46 -0.04 0.14 -0.33 0.00 0.00 177.00 177.58 1hsi s VAL 20 N -0.31 0.21 -0.29 3.83 -7.23 -0.59 -4.95 120.40 111.07 1hsi s VAL 20 Ca 0.22 -1.09 -0.20 0.00 -1.81 0.00 0.00 61.98 59.10 1hsi s VAL 20 Cb -0.15 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 1hsi s VAL 20 CO 0.10 -0.57 0.59 -0.70 -0.31 0.00 0.00 175.10 174.21 1hsi s GLU 21 N -1.90 3.95 0.11 4.82 2.56 -1.26 -1.51 118.70 125.48 1hsi s GLU 21 Ca -0.11 0.31 0.09 0.00 0.00 0.00 0.00 54.97 55.25 1hsi s GLU 21 Cb -0.07 -3.70 -0.04 0.00 2.00 0.00 0.00 34.13 32.32 1hsi s GLU 21 CO -0.02 -0.50 -0.21 0.14 -0.56 0.00 0.00 175.26 174.11 1hsi s VAL 22 N 2.50 1.80 -0.24 3.70 -7.23 0.69 -4.47 120.40 117.15 1hsi s VAL 22 Ca 0.24 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1hsi s VAL 22 Cb -0.15 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1hsi s VAL 22 CO 0.11 -0.07 0.23 -0.22 -0.31 0.00 0.00 175.10 174.83 1hsi s LEU 23 N -2.02 4.10 -0.44 1.32 2.96 0.35 -1.15 118.68 123.80 1hsi s LEU 23 Ca 0.09 0.19 -0.26 0.00 -0.22 0.00 0.00 54.13 53.92 1hsi s LEU 23 Cb -0.09 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.41 1hsi s LEU 23 CO 0.05 -0.00 0.95 -0.76 -1.32 0.00 0.00 176.35 175.27 1hsi s LEU 24 N 1.30 3.96 -0.40 -0.68 1.43 -0.60 -1.09 118.68 122.60 1hsi s LEU 24 Ca 0.10 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1hsi s LEU 24 Cb -0.14 -3.25 0.13 0.00 0.03 0.00 0.00 46.19 42.96 1hsi s LEU 24 CO 0.07 -1.04 0.22 -0.62 0.23 0.00 0.00 176.35 175.21 1hsi s ASP 25 N 2.21 3.43 0.00 2.29 -1.08 -0.92 -4.79 116.67 117.81 1hsi s ASP 25 Ca 0.38 -2.39 0.06 0.00 -0.52 0.00 0.00 52.55 50.09 1hsi s ASP 25 Cb -0.10 -0.79 0.30 0.00 -1.46 0.00 0.00 42.92 40.86 1hsi s ASP 25 CO 0.25 -0.29 1.08 0.35 0.52 0.00 0.00 175.17 177.08 1hsi n THR 26 N 3.83 1.09 0.46 1.71 -2.24 -1.26 -1.97 114.28 115.89 1hsi n THR 26 Ca 0.09 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 1hsi n THR 26 Cb 0.36 -1.17 0.26 0.00 -2.10 0.00 0.00 70.33 67.68 1hsi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hsi n GLY 27 N -0.79 1.43 3.44 3.38 0.00 -1.26 -4.83 105.19 106.55 1hsi n GLY 27 Ca 0.03 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1hsi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hsi s ALA 28 N -1.49 2.54 0.00 4.61 0.00 -0.83 -5.05 121.76 121.55 1hsi s ALA 28 Ca 0.38 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 1hsi s ALA 28 Cb 0.21 -0.82 -0.34 0.00 0.00 0.00 0.00 23.12 22.17 1hsi s ALA 28 CO 0.29 0.56 0.94 -0.44 0.00 0.00 0.00 175.76 177.11 1hsi h ASP 29 N 5.17 0.74 -2.69 0.00 3.32 -1.90 0.25 116.42 121.31 1hsi h ASP 29 Ca -0.46 -0.93 -0.54 0.00 0.02 0.00 0.00 57.03 55.13 1hsi h ASP 29 Cb 1.15 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 1hsi h ASP 29 CO 0.49 1.65 -0.58 -1.81 -1.72 0.00 0.00 179.24 177.27 1hsi s ASP 30 N -7.42 2.86 0.34 6.45 1.01 -1.26 -0.75 116.67 117.89 1hsi s ASP 30 Ca -0.11 -1.48 0.07 0.00 0.71 0.00 0.00 52.55 51.74 1hsi s ASP 30 Cb 0.03 0.08 -0.01 0.00 1.01 0.00 0.00 42.92 44.04 1hsi s ASP 30 CO 0.91 -0.69 0.48 -0.44 0.21 0.00 0.00 175.17 175.64 1hsi s SER 31 N -3.59 5.96 -0.29 0.27 0.01 -1.26 -2.95 113.70 111.85 1hsi s SER 31 Ca 0.30 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 1hsi s SER 31 Cb 0.07 -1.21 0.12 0.00 0.21 0.00 0.00 66.02 65.21 1hsi s SER 31 CO 0.14 -0.45 0.82 -0.51 0.41 0.00 0.00 173.24 173.65 1hsi s ILE 32 N -2.18 -0.28 0.05 1.44 2.07 -0.11 -3.66 121.20 118.52 1hsi s ILE 32 Ca 0.45 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.78 1hsi s ILE 32 Cb -0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 1hsi s ILE 32 CO 0.31 0.00 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.42 1hsi s VAL 33 N 1.92 1.86 0.00 4.00 1.01 -0.63 -1.30 120.40 127.27 1hsi s VAL 33 Ca -0.08 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.62 1hsi s VAL 33 Cb -0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1hsi s VAL 33 CO -0.18 0.25 -0.00 0.00 0.00 0.00 0.00 175.10 175.17 1hsi s ALA 34 N -0.82 3.27 0.00 5.51 0.00 -1.25 -2.30 121.76 126.17 1hsi s ALA 34 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1hsi s ALA 34 Cb -0.09 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1hsi s ALA 34 CO 0.02 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1hsi n GLY 35 N 1.38 2.64 3.71 0.00 0.00 -1.26 -5.02 105.19 106.64 1hsi n GLY 35 Ca -0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1hsi n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hsi s ILE 36 N 0.00 2.19 -0.29 -0.61 -4.36 -1.26 -4.96 121.20 111.91 1hsi s ILE 36 Ca 0.00 0.06 -0.26 0.00 -0.26 0.00 0.00 60.65 60.19 1hsi s ILE 36 Cb 0.00 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.68 1hsi s ILE 36 CO 0.00 0.00 0.94 -0.70 0.24 0.00 0.00 174.94 175.42 1hsi s GLU 37 N 1.52 4.07 -0.20 0.37 -6.30 -1.26 -4.97 118.70 111.93 1hsi s GLU 37 Ca 0.76 0.92 0.05 0.00 -2.50 0.00 0.00 54.97 54.19 1hsi s GLU 37 Cb -0.48 -3.71 -0.15 0.00 0.00 0.00 0.00 34.13 29.78 1hsi s GLU 37 CO 0.33 -0.74 -0.13 -0.11 0.02 0.00 0.00 175.26 174.63 1hsi n LEU 38 N 6.46 2.27 0.00 2.70 7.94 -1.26 -5.12 117.00 129.99 1hsi n LEU 38 Ca 0.08 -0.09 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 1hsi n LEU 38 Cb 0.47 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1hsi n LEU 38 CO 0.54 0.75 0.39 0.61 -1.11 0.00 0.00 177.39 178.57 1hsi n GLY 39 N 2.38 0.41 0.04 -3.96 0.00 -1.26 -5.01 105.19 97.80 1hsi n GLY 39 Ca -0.35 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 44.79 1hsi n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hsi n ASN 40 N -0.43 0.60 -4.23 1.61 5.03 -1.26 -4.89 115.26 111.69 1hsi n ASN 40 Ca 0.02 -0.80 -0.41 0.00 0.87 0.00 0.00 54.58 54.25 1hsi n ASN 40 Cb 0.20 0.54 -0.04 0.00 -1.02 0.00 0.00 39.78 39.47 1hsi n ASN 40 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1hsi s ASN 41 N -0.74 6.57 -0.02 6.41 -0.87 -1.26 -5.01 114.94 120.02 1hsi s ASN 41 Ca 0.02 -3.43 0.03 0.00 -1.57 0.00 0.00 52.86 47.91 1hsi s ASN 41 Cb 0.02 -2.07 -0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1hsi s ASN 41 CO 0.06 -0.30 -0.11 -0.72 -2.57 0.00 0.00 177.10 173.46 1hsi s TYR 42 N -0.96 1.03 0.31 2.20 -0.85 -1.26 -4.53 117.35 113.29 1hsi s TYR 42 Ca 0.26 -0.22 -0.23 0.00 -0.52 0.00 0.00 57.07 56.36 1hsi s TYR 42 Cb -0.10 -0.69 -0.10 0.00 0.38 0.00 0.00 41.96 41.46 1hsi s TYR 42 CO -0.09 -0.05 0.87 0.45 -1.52 0.00 0.00 175.55 175.20 1hsi s SER 43 N -0.10 7.15 0.60 -0.18 0.15 -1.09 -4.89 113.70 115.34 1hsi s SER 43 Ca 0.02 1.65 -0.18 0.00 0.70 0.00 0.00 55.95 58.14 1hsi s SER 43 Cb -0.06 -2.51 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1hsi s SER 43 CO -0.00 -0.10 1.15 -2.84 1.20 0.00 0.00 173.24 172.65 1hsi s PRO 44 N -2.29 3.02 0.22 5.44 0.02 -1.26 -1.49 135.00 138.65 1hsi s PRO 44 Ca 0.50 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 63.15 1hsi s PRO 44 Cb -0.16 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1hsi s PRO 44 CO 0.21 -1.13 0.29 1.63 -0.33 0.00 0.00 177.00 177.68 1hsi n LYS 45 N -1.76 0.42 -4.10 5.54 4.76 -0.34 -4.83 118.16 117.86 1hsi n LYS 45 Ca 0.12 -1.76 -0.07 0.00 -2.87 0.00 0.00 58.31 53.72 1hsi n LYS 45 Cb 0.51 1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 35.27 1hsi n LYS 45 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1hsi s ILE 46 N -2.68 0.22 -0.01 -0.18 -0.00 -1.26 -2.76 121.20 114.53 1hsi s ILE 46 Ca 0.19 -1.83 -0.07 0.00 -0.00 0.00 0.00 60.65 58.94 1hsi s ILE 46 Cb -0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 42.46 40.87 1hsi s ILE 46 CO 0.13 -0.93 0.14 0.54 -0.00 0.00 0.00 174.94 174.82 1hsi s VAL 47 N -3.93 0.07 0.00 8.37 0.11 -1.00 -4.95 120.40 119.07 1hsi s VAL 47 Ca 0.09 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1hsi s VAL 47 Cb 0.08 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1hsi s VAL 47 CO -0.08 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 171.98 1hsi n GLY 48 N 1.75 0.04 0.00 6.54 0.00 -1.26 0.02 105.19 112.28 1hsi n GLY 48 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1hsi n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsi n GLY 49 N 2.33 -2.47 1.16 -0.02 0.00 -1.26 -4.17 105.19 100.76 1hsi n GLY 49 Ca 0.00 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 1hsi n GLY 49 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hsi n ILE 50 N -1.69 0.00 0.00 -0.61 0.13 -1.26 -1.62 119.36 114.31 1hsi n ILE 50 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1hsi n ILE 50 Cb 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 39.64 38.63 1hsi n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1hsi n GLY 51 N 2.46 2.30 0.00 4.50 0.00 -1.26 -5.01 105.19 108.18 1hsi n GLY 51 Ca 0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1hsi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsi n GLY 52 N 0.00 -1.15 3.74 -0.02 0.00 -0.64 -5.13 105.19 102.00 1hsi n GLY 52 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1hsi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hsi s PHE 53 N -3.00 2.93 0.28 1.61 0.08 -1.25 -4.11 117.98 114.51 1hsi s PHE 53 Ca 0.00 0.78 0.03 0.00 0.12 0.00 0.00 56.93 57.85 1hsi s PHE 53 Cb 0.00 -3.96 -0.06 0.00 -0.57 0.00 0.00 43.02 38.43 1hsi s PHE 53 CO 0.00 -3.33 0.06 0.96 -0.10 0.00 0.00 175.22 172.82 1hsi s ILE 54 N 0.39 0.87 -0.12 0.64 -5.25 0.10 -4.94 121.20 112.89 1hsi s ILE 54 Ca 0.65 -2.01 -0.22 0.00 -0.99 0.00 0.00 60.65 58.08 1hsi s ILE 54 Cb -0.45 -2.64 -0.03 0.00 2.95 0.00 0.00 42.46 42.29 1hsi s ILE 54 CO 0.41 -0.06 0.68 0.54 -1.79 0.00 0.00 174.94 174.71 1hsi s ASN 55 N -3.37 6.87 -0.00 4.36 4.22 -1.26 -2.38 114.94 123.37 1hsi s ASN 55 Ca 0.36 1.05 0.03 0.00 -2.14 0.00 0.00 52.86 52.15 1hsi s ASN 55 Cb 0.08 -2.39 -0.01 0.00 1.28 0.00 0.00 41.25 40.21 1hsi s ASN 55 CO 0.13 -0.19 -0.09 0.42 -2.04 0.00 0.00 177.10 175.34 1hsi s THR 56 N 1.28 0.68 -0.24 0.54 -4.23 -1.11 -4.60 115.64 107.96 1hsi s THR 56 Ca 0.34 -0.41 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 1hsi s THR 56 Cb -0.17 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.07 1hsi s THR 56 CO 0.14 0.16 0.61 -0.54 -0.54 0.00 0.00 174.62 174.45 1hsi s LYS 57 N -0.29 4.13 -0.22 3.99 1.02 -0.26 -1.19 119.74 126.92 1hsi s LYS 57 Ca 0.03 0.52 -0.08 0.00 0.02 0.00 0.00 55.97 56.46 1hsi s LYS 57 Cb -0.04 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1hsi s LYS 57 CO -0.00 -0.35 0.08 -2.00 -0.92 0.00 0.00 175.35 172.16 1hsi s GLU 58 N 2.28 3.84 0.09 1.68 2.12 -0.56 -0.13 118.70 128.03 1hsi s GLU 58 Ca 0.26 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.25 1hsi s GLU 58 Cb -0.16 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1hsi s GLU 58 CO 0.09 0.03 -0.07 0.71 -0.54 0.00 0.00 175.26 175.48 1hsi s TYR 59 N 1.05 2.83 0.06 5.30 1.51 0.71 -2.68 117.35 126.14 1hsi s TYR 59 Ca 0.05 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1hsi s TYR 59 Cb -0.14 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1hsi s TYR 59 CO 0.03 0.44 -0.05 0.21 -1.11 0.00 0.00 175.55 175.07 1hsi s LYS 60 N -2.15 2.42 0.00 -0.62 2.47 -1.26 -1.73 119.74 118.87 1hsi s LYS 60 Ca 0.22 -0.85 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 1hsi s LYS 60 Cb -0.11 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.80 1hsi s LYS 60 CO 0.14 0.55 0.00 -1.71 0.16 0.00 0.00 175.35 174.50 1hsi n ASN 61 N 0.95 -0.73 -4.35 1.43 5.15 -1.23 -4.89 115.26 111.58 1hsi n ASN 61 Ca -0.13 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.45 1hsi n ASN 61 Cb 0.52 -1.13 0.01 0.00 -0.53 0.00 0.00 39.78 38.66 1hsi n ASN 61 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1hsi n VAL 62 N -2.10 1.03 -3.48 3.44 0.31 -1.01 -4.12 118.33 112.39 1hsi n VAL 62 Ca 0.00 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.43 1hsi n VAL 62 Cb 0.04 -0.25 -0.10 0.00 -0.91 0.00 0.00 33.84 32.61 1hsi n VAL 62 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1hsi s GLU 63 N -1.34 3.67 -0.13 5.55 2.12 -1.26 -1.77 118.70 125.54 1hsi s GLU 63 Ca 0.61 -0.43 -0.01 0.00 0.36 0.00 0.00 54.97 55.51 1hsi s GLU 63 Cb -0.55 -3.76 -0.02 0.00 0.26 0.00 0.00 34.13 30.06 1hsi s GLU 63 CO 0.61 -0.40 -0.12 0.42 -0.54 0.00 0.00 175.26 175.23 1hsi s ILE 64 N 1.87 3.17 -0.18 -3.70 -1.09 0.30 0.18 121.20 121.75 1hsi s ILE 64 Ca 0.09 -0.62 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1hsi s ILE 64 Cb -0.17 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.37 1hsi s ILE 64 CO 0.11 0.52 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.54 1hsi s GLU 65 N 0.37 3.31 -0.05 2.79 2.12 -0.72 0.18 118.70 126.69 1hsi s GLU 65 Ca -0.10 -0.68 -0.00 0.00 0.36 0.00 0.00 54.97 54.55 1hsi s GLU 65 Cb -0.16 -2.81 0.03 0.00 0.26 0.00 0.00 34.13 31.45 1hsi s GLU 65 CO 0.05 -0.06 -0.01 0.08 -0.54 0.00 0.00 175.26 174.78 1hsi s VAL 66 N 1.06 0.36 -1.41 3.70 1.01 0.52 -1.27 120.40 124.37 1hsi s VAL 66 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1hsi s VAL 66 Cb -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1hsi s VAL 66 CO -0.02 0.22 0.37 0.18 0.00 0.00 0.00 175.10 175.85 1hsi n LEU 67 N 4.67 -1.93 -1.64 3.92 7.99 -1.26 -1.00 117.00 127.75 1hsi n LEU 67 Ca -0.15 -1.08 -0.20 0.00 -0.01 0.00 0.00 56.01 54.57 1hsi n LEU 67 Cb 0.50 -2.08 -0.08 0.00 -0.11 0.00 0.00 43.42 41.65 1hsi n LEU 67 CO 0.16 0.46 -0.20 -3.20 -1.51 0.00 0.00 177.39 173.10 1hsi n ASN 68 N -2.91 -5.36 -4.25 -1.43 5.15 -1.26 -4.94 115.26 100.26 1hsi n ASN 68 Ca -0.29 0.47 -0.36 0.00 -0.60 0.00 0.00 54.58 53.79 1hsi n ASN 68 Cb 0.68 -4.73 -0.13 0.00 -0.53 0.00 0.00 39.78 35.07 1hsi n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1hsi s LYS 69 N -3.80 2.70 0.12 1.20 2.20 -0.17 -5.10 119.74 116.89 1hsi s LYS 69 Ca 0.00 -1.11 -0.10 0.00 -0.36 0.00 0.00 55.97 54.40 1hsi s LYS 69 Cb 0.00 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.96 1hsi s LYS 69 CO 0.00 -0.57 0.45 0.21 -0.36 0.00 0.00 175.35 175.09 1hsi s LYS 70 N 1.37 3.80 -0.12 4.03 2.36 -1.26 -0.36 119.74 129.56 1hsi s LYS 70 Ca -0.02 0.23 -0.27 0.00 -2.55 0.00 0.00 55.97 53.37 1hsi s LYS 70 Cb -0.19 -2.91 0.06 0.00 -1.05 0.00 0.00 37.83 33.75 1hsi s LYS 70 CO 0.01 0.49 0.65 0.08 1.55 0.00 0.00 175.35 178.13 1hsi s VAL 71 N -1.51 0.00 -0.09 4.02 1.01 0.13 -4.96 120.40 119.00 1hsi s VAL 71 Ca 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1hsi s VAL 71 Cb -0.14 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1hsi s VAL 71 CO 0.20 -0.02 0.02 -0.13 0.00 0.00 0.00 175.10 175.17 1hsi s ARG 72 N -0.63 3.07 -0.19 2.72 0.52 -1.26 -0.54 118.95 122.64 1hsi s ARG 72 Ca -0.07 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1hsi s ARG 72 Cb -0.02 -2.86 0.14 0.00 0.52 0.00 0.00 34.95 32.73 1hsi s ARG 72 CO 0.06 0.71 1.07 0.00 0.02 0.00 0.00 175.30 177.17 1hsi s ALA 73 N -0.89 -1.97 0.74 2.13 0.00 -0.73 -4.90 121.76 116.13 1hsi s ALA 73 Ca 0.13 1.66 -0.14 0.00 0.00 0.00 0.00 51.96 53.61 1hsi s ALA 73 Cb -0.11 -0.91 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1hsi s ALA 73 CO 0.03 -0.29 1.16 0.99 0.00 0.00 0.00 175.76 177.65 1hsi s THR 74 N -1.03 2.64 0.22 0.00 2.01 -1.26 -2.40 115.64 115.83 1hsi s THR 74 Ca 0.01 0.29 -0.22 0.00 0.31 0.00 0.00 61.69 62.07 1hsi s THR 74 Cb -0.01 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.78 1hsi s THR 74 CO -0.01 -0.20 0.65 -0.51 -0.69 0.00 0.00 174.62 173.87 1hsi s ILE 75 N -2.25 0.00 0.14 1.82 2.07 -0.70 -4.85 121.20 117.43 1hsi s ILE 75 Ca 0.70 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 59.47 1hsi s ILE 75 Cb -0.25 -1.52 -0.04 0.00 0.13 0.00 0.00 42.46 40.78 1hsi s ILE 75 CO 0.47 -0.01 -0.14 -0.32 -1.91 0.00 0.00 174.94 173.03 1hsi s MET 76 N -3.84 1.10 -0.04 3.50 1.75 -1.24 -0.21 119.30 120.32 1hsi s MET 76 Ca 0.06 -1.33 0.02 0.00 -1.25 0.00 0.00 55.69 53.19 1hsi s MET 76 Cb -0.03 -0.94 0.01 0.00 2.84 0.00 0.00 34.83 36.71 1hsi s MET 76 CO -0.03 0.17 -0.09 0.99 -0.65 0.00 0.00 175.02 175.42 1hsi s THR 77 N -2.40 0.80 -0.62 10.11 2.01 0.82 -1.60 115.64 124.76 1hsi s THR 77 Ca 0.12 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1hsi s THR 77 Cb -0.03 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1hsi s THR 77 CO 0.04 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 1hsi n GLY 78 N 3.56 -1.16 3.58 4.40 0.00 -0.97 -1.10 105.19 113.49 1hsi n GLY 78 Ca -0.21 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 1hsi n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hsi s ASP 79 N -4.00 6.57 0.17 1.61 2.15 -1.26 -3.77 116.67 118.14 1hsi s ASP 79 Ca 0.00 0.30 0.11 0.00 0.43 0.00 0.00 52.55 53.39 1hsi s ASP 79 Cb 0.00 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 1hsi s ASP 79 CO 0.00 -1.14 -0.22 0.42 -0.17 0.00 0.00 175.17 174.07 1hsi s THR 80 N 4.07 2.51 0.17 1.71 -4.23 -1.26 -5.03 115.64 113.58 1hsi s THR 80 Ca 0.42 -1.88 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1hsi s THR 80 Cb -0.09 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.57 1hsi s THR 80 CO 0.28 -0.06 1.56 -0.65 -0.54 0.00 0.00 174.62 175.21 1hsi h PRO 81 N 3.32 0.97 -5.66 3.99 0.11 -1.99 -3.45 132.00 129.29 1hsi h PRO 81 Ca -0.47 -0.41 -0.66 0.00 0.11 0.00 0.00 66.00 64.57 1hsi h PRO 81 Cb 1.20 -0.03 -0.19 0.00 0.11 0.00 0.00 31.00 32.08 1hsi h PRO 81 CO 0.47 1.08 -0.66 0.42 -0.21 0.00 0.00 178.00 179.11 1hsi s ILE 82 N -4.66 4.01 -0.26 4.15 1.01 -1.26 -5.07 121.20 119.12 1hsi s ILE 82 Ca -0.11 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1hsi s ILE 82 Cb 0.12 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1hsi s ILE 82 CO 0.87 0.54 0.79 0.20 0.00 0.00 0.00 174.94 177.34 1hsi s ASN 83 N -0.22 6.76 -0.14 3.58 0.02 -1.26 -4.84 114.94 118.83 1hsi s ASN 83 Ca 0.04 0.91 -0.04 0.00 -1.02 0.00 0.00 52.86 52.76 1hsi s ASN 83 Cb -0.13 -2.42 -0.03 0.00 0.02 0.00 0.00 41.25 38.70 1hsi s ASN 83 CO 0.02 -0.51 -0.01 -0.63 0.02 0.00 0.00 177.10 175.98 1hsi s ILE 84 N 2.82 4.12 -0.46 0.60 1.09 -0.42 -0.50 121.20 128.44 1hsi s ILE 84 Ca 0.33 -0.29 -0.14 0.00 -1.10 0.00 0.00 60.65 59.45 1hsi s ILE 84 Cb -0.15 -2.79 0.07 0.00 -1.06 0.00 0.00 42.46 38.53 1hsi s ILE 84 CO 0.09 0.51 0.37 -0.36 -0.10 0.00 0.00 174.94 175.45 1hsi s PHE 85 N 0.07 3.26 0.00 3.97 0.40 -0.25 -0.94 117.98 124.49 1hsi s PHE 85 Ca 0.01 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 1hsi s PHE 85 Cb -0.13 -3.13 0.00 0.00 0.51 0.00 0.00 43.02 40.27 1hsi s PHE 85 CO 0.02 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1hsi n GLY 86 N 5.16 -0.65 0.24 4.36 0.00 -1.15 -2.17 105.19 110.98 1hsi n GLY 86 Ca -0.12 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.30 1hsi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hsi h ARG 87 N 0.00 0.00 -0.86 1.61 3.08 -0.28 -1.85 114.38 116.09 1hsi h ARG 87 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1hsi h ARG 87 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1hsi h ARG 87 CO 0.00 0.18 0.56 -2.95 -1.07 0.00 0.00 179.97 176.69 1hsi h ASN 88 N 0.00 0.93 0.28 7.04 -1.07 -1.20 -2.22 115.58 119.34 1hsi h ASN 88 Ca -0.00 -0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.02 1hsi h ASN 88 Cb 0.58 -0.22 -0.04 0.00 -2.07 0.00 0.00 38.32 36.57 1hsi h ASN 88 CO 0.02 0.65 -1.90 -0.38 0.07 0.00 0.00 177.43 175.89 1hsi n ILE 89 N -4.44 1.68 -0.28 6.14 5.41 -0.89 -3.54 119.36 123.45 1hsi n ILE 89 Ca 0.11 -0.72 0.16 0.00 1.00 0.00 0.00 62.75 63.30 1hsi n ILE 89 Cb 0.09 -1.37 0.44 0.00 -0.71 0.00 0.00 39.64 38.09 1hsi n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1hsi h LEU 90 N 0.04 0.55 -0.10 1.39 3.38 -1.28 0.18 115.31 119.46 1hsi h LEU 90 Ca -0.37 0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.44 1hsi h LEU 90 Cb 2.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1hsi h LEU 90 CO 0.08 0.22 -0.99 0.71 0.09 0.00 0.00 178.44 178.54 1hsi h THR 91 N 0.55 1.59 -0.20 0.22 1.35 -1.53 0.16 112.91 115.04 1hsi h THR 91 Ca 0.50 -3.03 -0.18 0.00 -0.55 0.00 0.00 66.41 63.16 1hsi h THR 91 Cb 1.04 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1hsi h THR 91 CO -0.24 0.87 -0.58 0.00 -0.25 0.00 0.00 175.52 175.32 1hsi h ALA 92 N 0.92 0.59 0.00 6.62 0.00 -1.37 -2.86 119.26 123.16 1hsi h ALA 92 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1hsi h ALA 92 Cb 1.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1hsi h ALA 92 CO 0.14 0.69 0.00 -0.07 0.00 0.00 0.00 179.25 180.02 1hsi h LEU 93 N 0.50 0.00 0.00 0.00 -0.00 -0.60 -3.47 115.31 111.73 1hsi h LEU 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1hsi h LEU 93 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1hsi h LEU 93 CO 0.12 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.17 1hsi n GLY 94 N -0.28 0.48 3.84 0.83 0.00 -0.79 -5.05 105.19 104.22 1hsi n GLY 94 Ca 0.01 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 1hsi n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hsi s MET 95 N -2.33 4.03 -0.04 1.61 -1.94 0.49 -5.01 119.30 116.12 1hsi s MET 95 Ca 0.00 0.92 -0.09 0.00 -1.71 0.00 0.00 55.69 54.80 1hsi s MET 95 Cb 0.00 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.63 1hsi s MET 95 CO 0.00 -0.10 0.22 -1.54 -0.01 0.00 0.00 175.02 173.59 1hsi s SER 96 N -2.66 -0.13 0.03 3.03 1.04 -1.26 -4.72 113.70 109.04 1hsi s SER 96 Ca 0.58 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.85 1hsi s SER 96 Cb -0.10 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1hsi s SER 96 CO 0.23 -0.28 0.95 -0.76 0.98 0.00 0.00 173.24 174.36 1hsi s LEU 97 N -0.78 4.41 -0.08 2.42 2.01 -1.26 -5.05 118.68 120.36 1hsi s LEU 97 Ca -0.09 1.67 0.03 0.00 0.01 0.00 0.00 54.13 55.76 1hsi s LEU 97 Cb -0.05 -3.53 -0.01 0.00 0.01 0.00 0.00 46.19 42.61 1hsi s LEU 97 CO 0.02 -0.18 -0.19 0.20 1.01 0.00 0.00 176.35 177.21 1hsi s ASN 98 N 0.62 3.53 0.00 2.29 0.01 -1.26 -5.30 114.94 114.82 1hsi s ASN 98 Ca 0.49 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1hsi s ASN 98 Cb -0.22 -1.17 0.00 0.00 0.41 0.00 0.00 41.25 40.28 1hsi s ASN 98 CO 0.28 0.23 0.00 0.00 -1.51 0.00 0.00 177.10 176.09