#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsh s GLN 2 N 0.00 4.14 -0.26 -0.52 0.74 -1.26 -5.06 119.66 117.44 1hsh s GLN 2 Ca 0.00 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 55.96 1hsh s GLN 2 Cb 0.00 -3.29 0.04 0.00 1.10 0.00 0.00 33.01 30.86 1hsh s GLN 2 CO 0.00 0.52 -0.07 -0.06 -0.55 0.00 0.00 175.29 175.13 1hsh s PHE 3 N -0.60 3.16 0.61 1.67 0.40 -1.26 -5.12 117.98 116.85 1hsh s PHE 3 Ca 0.27 -1.87 -0.14 0.00 -0.60 0.00 0.00 56.93 54.58 1hsh s PHE 3 Cb -0.17 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 1hsh s PHE 3 CO 0.15 -0.80 1.05 -1.12 0.70 0.00 0.00 175.22 175.20 1hsh s SER 4 N 1.24 5.77 -0.34 1.36 0.01 -1.26 -4.99 113.70 115.49 1hsh s SER 4 Ca -0.04 1.74 0.08 0.00 1.31 0.00 0.00 55.95 59.03 1hsh s SER 4 Cb -0.18 -2.52 0.57 0.00 0.21 0.00 0.00 66.02 64.10 1hsh s SER 4 CO -0.04 -1.18 1.63 0.18 0.41 0.00 0.00 173.24 174.24 1hsh n LEU 5 N -2.28 5.07 0.18 2.44 4.77 -1.26 -4.40 117.00 121.52 1hsh n LEU 5 Ca 0.08 -3.67 0.05 0.00 -0.03 0.00 0.00 56.01 52.45 1hsh n LEU 5 Cb 0.53 -0.71 0.21 0.00 -2.33 0.00 0.00 43.42 41.13 1hsh n LEU 5 CO 0.49 1.15 0.62 -0.50 -1.33 0.00 0.00 177.39 177.82 1hsh h TRP 6 N 1.11 0.00 -1.84 -1.77 4.06 -2.06 -3.42 115.95 112.04 1hsh h TRP 6 Ca 0.35 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.71 1hsh h TRP 6 Cb 2.08 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 30.14 1hsh h TRP 6 CO 1.22 0.38 -0.60 0.15 -3.56 0.00 0.00 178.44 176.03 1hsh s LYS 7 N -3.30 2.07 0.18 0.49 1.02 -1.26 -5.11 119.74 113.83 1hsh s LYS 7 Ca 0.02 -1.82 -0.32 0.00 0.02 0.00 0.00 55.97 53.87 1hsh s LYS 7 Cb 0.09 -1.89 -0.12 0.00 -0.52 0.00 0.00 37.83 35.39 1hsh s LYS 7 CO 0.70 0.07 1.75 0.54 -0.92 0.00 0.00 175.35 177.49 1hsh n ARG 8 N -0.99 2.74 -1.31 1.68 1.74 -1.26 -4.89 116.66 114.37 1hsh n ARG 8 Ca -0.04 0.99 -0.39 0.00 -0.77 0.00 0.00 57.85 57.64 1hsh n ARG 8 Cb 0.63 -2.84 -0.07 0.00 -1.02 0.00 0.00 32.46 29.16 1hsh n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hsh n PRO 9 N 4.38 1.34 -4.30 5.56 -0.04 -1.26 -4.89 135.00 135.79 1hsh n PRO 9 Ca 0.17 -1.90 -0.35 0.00 -0.04 0.00 0.00 63.50 61.38 1hsh n PRO 9 Cb 0.35 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 1hsh n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hsh s VAL 10 N 6.91 4.33 0.24 0.52 1.01 -1.25 -0.00 120.40 132.16 1hsh s VAL 10 Ca 0.62 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1hsh s VAL 10 Cb 0.11 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1hsh s VAL 10 CO 0.15 0.55 0.04 0.68 0.00 0.00 0.00 175.10 176.52 1hsh s VAL 11 N -0.37 0.79 -0.29 2.92 -7.23 0.31 -4.90 120.40 111.63 1hsh s VAL 11 Ca 0.07 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.01 1hsh s VAL 11 Cb -0.12 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 1hsh s VAL 11 CO 0.02 -0.21 0.76 -0.89 -0.31 0.00 0.00 175.10 174.47 1hsh s THR 12 N -3.59 4.84 0.40 5.32 2.01 -1.26 0.15 115.64 123.51 1hsh s THR 12 Ca 0.32 1.20 0.08 0.00 0.31 0.00 0.00 61.69 63.60 1hsh s THR 12 Cb 0.07 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1hsh s THR 12 CO 0.10 -0.17 0.47 0.00 -0.69 0.00 0.00 174.62 174.33 1hsh s ALA 13 N 2.84 4.29 -0.25 7.40 0.00 0.39 -4.74 121.76 131.69 1hsh s ALA 13 Ca 0.31 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 1hsh s ALA 13 Cb -0.15 -1.41 0.08 0.00 0.00 0.00 0.00 23.12 21.64 1hsh s ALA 13 CO 0.11 -0.20 0.05 0.71 0.00 0.00 0.00 175.76 176.42 1hsh s TYR 14 N -2.36 1.60 -1.03 0.00 2.02 -0.81 -0.43 117.35 116.34 1hsh s TYR 14 Ca 0.50 -1.42 -0.14 0.00 -0.37 0.00 0.00 57.07 55.64 1hsh s TYR 14 Cb -0.08 -1.44 0.19 0.00 -0.40 0.00 0.00 41.96 40.23 1hsh s TYR 14 CO 0.31 -0.76 1.15 0.42 -1.57 0.00 0.00 175.55 175.10 1hsh s ILE 15 N 1.66 5.24 0.77 2.71 -1.09 0.13 -1.63 121.20 128.99 1hsh s ILE 15 Ca 0.03 -2.44 -0.11 0.00 -2.23 0.00 0.00 60.65 55.90 1hsh s ILE 15 Cb -0.17 -4.73 0.05 0.00 -1.58 0.00 0.00 42.46 36.03 1hsh s ILE 15 CO -0.15 -1.39 1.10 -0.70 -1.23 0.00 0.00 174.94 172.57 1hsh s GLU 16 N 1.09 2.26 0.00 2.79 2.12 0.59 -3.20 118.70 124.35 1hsh s GLU 16 Ca 0.33 1.21 0.00 0.00 0.36 0.00 0.00 54.97 56.86 1hsh s GLU 16 Cb -0.06 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1hsh s GLU 16 CO -0.06 -1.64 0.00 0.41 -0.54 0.00 0.00 175.26 173.43 1hsh n GLY 17 N -1.08 1.98 3.58 -1.50 0.00 -1.26 -5.02 105.19 101.89 1hsh n GLY 17 Ca 0.09 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 1hsh n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hsh s GLN 18 N 0.00 3.74 -0.33 1.61 -0.21 -1.19 -4.99 119.66 118.29 1hsh s GLN 18 Ca 0.00 0.14 -0.29 0.00 0.02 0.00 0.00 55.36 55.23 1hsh s GLN 18 Cb 0.00 -3.79 0.01 0.00 1.00 0.00 0.00 33.01 30.23 1hsh s GLN 18 CO 0.00 -0.70 1.20 -1.25 -2.12 0.00 0.00 175.29 172.42 1hsh s PRO 19 N 2.72 3.94 0.11 2.91 0.04 -1.25 0.22 135.00 143.70 1hsh s PRO 19 Ca 0.25 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.48 1hsh s PRO 19 Cb -0.14 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1hsh s PRO 19 CO 0.14 -1.08 -0.15 0.14 0.04 0.00 0.00 177.00 176.09 1hsh s VAL 20 N 4.14 3.04 -0.00 -0.36 -7.23 0.43 -4.92 120.40 115.49 1hsh s VAL 20 Ca 0.51 -1.42 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 1hsh s VAL 20 Cb -0.14 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 1hsh s VAL 20 CO 0.21 0.10 0.54 -1.61 -0.31 0.00 0.00 175.10 174.04 1hsh s GLU 21 N -2.17 4.23 -0.01 4.82 0.41 -1.26 0.15 118.70 124.87 1hsh s GLU 21 Ca 0.19 0.64 0.03 0.00 -0.41 0.00 0.00 54.97 55.42 1hsh s GLU 21 Cb -0.11 -3.31 -0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1hsh s GLU 21 CO 0.11 0.45 -0.08 0.14 -0.49 0.00 0.00 175.26 175.39 1hsh s VAL 22 N -0.43 0.67 -0.11 2.63 -7.23 0.12 -4.49 120.40 111.56 1hsh s VAL 22 Ca 0.29 -0.35 -0.27 0.00 -1.81 0.00 0.00 61.98 59.83 1hsh s VAL 22 Cb -0.18 -0.57 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 1hsh s VAL 22 CO 0.16 0.19 0.90 -0.22 -0.31 0.00 0.00 175.10 175.83 1hsh s LEU 23 N -0.13 4.25 -0.43 1.32 2.96 0.37 -0.53 118.68 126.48 1hsh s LEU 23 Ca 0.02 1.38 -0.24 0.00 -0.22 0.00 0.00 54.13 55.07 1hsh s LEU 23 Cb -0.04 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.29 1hsh s LEU 23 CO -0.00 -0.36 0.83 -0.76 -1.32 0.00 0.00 176.35 174.73 1hsh s LEU 24 N 1.78 4.14 -0.38 -0.68 1.02 1.00 -0.11 118.68 125.45 1hsh s LEU 24 Ca 0.44 0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.71 1hsh s LEU 24 Cb -0.18 -3.06 0.11 0.00 0.02 0.00 0.00 46.19 43.08 1hsh s LEU 24 CO 0.17 -0.91 0.13 -0.62 0.02 0.00 0.00 176.35 175.15 1hsh s ASP 25 N 2.09 4.28 0.34 2.29 -1.08 -0.50 -4.79 116.67 119.30 1hsh s ASP 25 Ca 0.33 -2.21 0.25 0.00 -0.52 0.00 0.00 52.55 50.40 1hsh s ASP 25 Cb -0.12 -1.30 1.18 0.00 -1.46 0.00 0.00 42.92 41.22 1hsh s ASP 25 CO 0.22 -0.35 1.77 0.71 0.52 0.00 0.00 175.17 178.04 1hsh h THR 26 N 6.16 0.00 -0.00 1.71 1.35 -1.93 -2.19 112.91 118.02 1hsh h THR 26 Ca -0.07 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1hsh h THR 26 Cb 0.98 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1hsh h THR 26 CO 0.52 0.00 -0.47 0.61 -0.25 0.00 0.00 175.52 175.93 1hsh n GLY 27 N -0.45 -0.94 3.69 5.82 0.00 -1.26 -4.82 105.19 107.24 1hsh n GLY 27 Ca 0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1hsh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hsh s ALA 28 N -2.81 3.54 0.09 4.61 0.00 -0.82 -4.97 121.76 121.41 1hsh s ALA 28 Ca 0.15 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 1hsh s ALA 28 Cb 0.18 -2.60 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 1hsh s ALA 28 CO 0.65 -0.15 1.66 -0.44 0.00 0.00 0.00 175.76 177.48 1hsh h ASP 29 N 7.07 0.21 -4.97 0.00 3.32 -1.87 0.24 116.42 120.41 1hsh h ASP 29 Ca -0.38 -0.13 -0.51 0.00 0.02 0.00 0.00 57.03 56.04 1hsh h ASP 29 Cb 1.17 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.59 1hsh h ASP 29 CO 0.74 0.28 -0.32 0.47 -1.72 0.00 0.00 179.24 178.69 1hsh n ASP 30 N -4.90 2.83 -4.21 6.45 8.00 -1.26 -1.84 116.55 121.61 1hsh n ASP 30 Ca -0.04 -2.68 -0.30 0.00 0.71 0.00 0.00 54.79 52.47 1hsh n ASP 30 Cb 0.10 0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 41.18 1hsh n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1hsh s SER 31 N -3.41 2.81 -0.10 -2.24 0.01 -1.26 -3.03 113.70 106.48 1hsh s SER 31 Ca 0.11 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 1hsh s SER 31 Cb -0.01 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.31 1hsh s SER 31 CO 0.07 0.19 -0.05 -0.63 0.41 0.00 0.00 173.24 173.23 1hsh s ILE 32 N 0.06 0.83 -0.10 1.44 1.01 -0.99 -0.89 121.20 122.56 1hsh s ILE 32 Ca -0.08 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1hsh s ILE 32 Cb -0.15 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1hsh s ILE 32 CO 0.05 0.33 -0.16 -0.69 0.00 0.00 0.00 174.94 174.47 1hsh s VAL 33 N 1.76 2.80 0.32 2.92 1.01 -0.57 -1.51 120.40 127.14 1hsh s VAL 33 Ca 0.04 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1hsh s VAL 33 Cb -0.13 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 34.19 1hsh s VAL 33 CO -0.07 0.55 0.44 0.00 0.00 0.00 0.00 175.10 176.02 1hsh n ALA 34 N 3.22 -0.23 -3.04 5.51 0.00 -1.26 -3.12 120.51 121.59 1hsh n ALA 34 Ca -0.18 -0.71 -0.16 0.00 0.00 0.00 0.00 53.44 52.39 1hsh n ALA 34 Cb 0.53 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1hsh n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hsh n GLY 35 N 1.89 -0.48 3.00 0.00 0.00 -1.26 -4.92 105.19 103.42 1hsh n GLY 35 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1hsh n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1hsh s ILE 36 N -2.63 0.01 -0.12 -0.61 2.07 -1.26 -5.14 121.20 113.51 1hsh s ILE 36 Ca 0.24 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.46 1hsh s ILE 36 Cb -0.13 -0.18 -0.01 0.00 0.13 0.00 0.00 42.46 42.26 1hsh s ILE 36 CO 0.30 -0.02 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.43 1hsh s GLU 37 N -0.02 3.23 0.00 3.50 2.56 -1.26 -4.96 118.70 121.74 1hsh s GLU 37 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.19 1hsh s GLU 37 Cb -0.01 -2.50 0.00 0.00 2.00 0.00 0.00 34.13 33.62 1hsh s GLU 37 CO 0.00 0.18 0.00 -0.11 -0.56 0.00 0.00 175.26 174.77 1hsh n LEU 38 N 3.59 0.00 0.00 2.70 0.00 -1.26 -5.14 117.00 116.89 1hsh n LEU 38 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.82 1hsh n LEU 38 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 1hsh n LEU 38 CO 0.29 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.29 1hsh n GLY 39 N 2.68 1.60 0.12 -3.96 0.00 -1.26 -5.06 105.19 99.30 1hsh n GLY 39 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.91 1hsh n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1hsh h ASN 40 N 0.00 -0.31 -3.67 1.61 -0.73 -2.02 -3.43 115.58 107.04 1hsh h ASN 40 Ca 0.00 0.02 -0.69 0.00 1.87 0.00 0.00 56.30 57.50 1hsh h ASN 40 Cb 0.00 0.09 -0.29 0.00 0.27 0.00 0.00 38.32 38.39 1hsh h ASN 40 CO 0.00 -0.17 -0.64 0.20 -0.37 0.00 0.00 177.43 176.45 1hsh s ASN 41 N -2.64 5.08 0.22 1.15 -0.87 -1.26 -5.07 114.94 111.56 1hsh s ASN 41 Ca -0.04 -1.06 0.11 0.00 -1.57 0.00 0.00 52.86 50.29 1hsh s ASN 41 Cb 0.01 -1.81 -0.04 0.00 -0.02 0.00 0.00 41.25 39.38 1hsh s ASN 41 CO 0.14 -0.27 -0.16 -0.72 -2.57 0.00 0.00 177.10 173.52 1hsh s TYR 42 N 1.38 2.44 -0.08 2.20 -0.85 -1.26 -4.63 117.35 116.55 1hsh s TYR 42 Ca -0.02 -0.30 -0.08 0.00 -0.52 0.00 0.00 57.07 56.16 1hsh s TYR 42 Cb -0.19 -1.15 -0.04 0.00 0.38 0.00 0.00 41.96 40.96 1hsh s TYR 42 CO 0.01 0.58 0.19 -1.12 -1.52 0.00 0.00 175.55 173.69 1hsh s SER 43 N -3.08 6.46 0.21 -0.18 0.01 -0.94 -4.79 113.70 111.40 1hsh s SER 43 Ca 0.26 0.54 -0.30 0.00 1.31 0.00 0.00 55.95 57.76 1hsh s SER 43 Cb -0.07 -2.09 -0.16 0.00 0.21 0.00 0.00 66.02 63.91 1hsh s SER 43 CO 0.14 0.37 0.86 -0.81 0.41 0.00 0.00 173.24 174.21 1hsh n PRO 44 N 1.79 0.72 -3.71 12.44 -0.04 -1.26 -0.30 135.00 144.64 1hsh n PRO 44 Ca -0.18 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1hsh n PRO 44 Cb 0.54 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1hsh n PRO 44 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1hsh s LYS 45 N -1.01 0.74 -0.06 0.54 -0.14 -0.74 -4.84 119.74 114.22 1hsh s LYS 45 Ca 0.66 -0.09 0.01 0.00 -1.36 0.00 0.00 55.97 55.19 1hsh s LYS 45 Cb -0.85 0.33 0.02 0.00 -1.68 0.00 0.00 37.83 35.65 1hsh s LYS 45 CO 0.57 -0.21 -0.09 0.42 -0.76 0.00 0.00 175.35 175.28 1hsh s ILE 46 N -1.26 0.90 -0.07 2.17 1.01 -1.26 -1.31 121.20 121.38 1hsh s ILE 46 Ca -0.13 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1hsh s ILE 46 Cb -0.04 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.57 1hsh s ILE 46 CO 0.05 0.31 -0.20 -0.69 0.00 0.00 0.00 174.94 174.41 1hsh s VAL 47 N 0.88 1.69 -0.25 2.92 1.01 0.08 -4.95 120.40 121.77 1hsh s VAL 47 Ca -0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1hsh s VAL 47 Cb -0.15 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1hsh s VAL 47 CO 0.01 0.48 0.14 -0.83 0.00 0.00 0.00 175.10 174.90 1hsh s GLY 48 N 0.23 1.90 0.00 4.51 0.00 -1.26 -0.96 107.32 111.73 1hsh s GLY 48 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1hsh s GLY 48 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.27 1hsh n GLY 49 N 4.71 7.16 3.74 0.20 0.00 -1.02 -5.03 105.19 114.95 1hsh n GLY 49 Ca -0.15 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1hsh n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hsh s ILE 50 N 0.78 3.52 -1.08 -0.61 -1.09 -1.26 -3.71 121.20 117.74 1hsh s ILE 50 Ca 0.00 1.33 -0.05 0.00 -2.23 0.00 0.00 60.65 59.70 1hsh s ILE 50 Cb 0.00 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1hsh s ILE 50 CO 0.00 0.24 0.67 0.61 -1.23 0.00 0.00 174.94 175.22 1hsh n GLY 51 N 1.94 -0.18 0.00 6.18 0.00 -1.26 -4.91 105.19 106.97 1hsh n GLY 51 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1hsh n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsh n GLY 52 N -1.48 0.68 3.14 -0.02 0.00 -1.24 -5.10 105.19 101.17 1hsh n GLY 52 Ca -0.04 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 1hsh n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hsh s PHE 53 N -2.15 0.87 0.00 1.61 0.08 -1.26 -2.43 117.98 114.70 1hsh s PHE 53 Ca 0.00 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.34 1hsh s PHE 53 Cb 0.00 -0.50 -0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1hsh s PHE 53 CO 0.00 -0.09 -0.01 -1.50 -0.10 0.00 0.00 175.22 173.52 1hsh s ILE 54 N -2.60 0.04 -0.39 0.64 2.07 -0.14 -4.96 121.20 115.86 1hsh s ILE 54 Ca 0.03 -0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 58.97 1hsh s ILE 54 Cb -0.02 -0.06 0.01 0.00 0.13 0.00 0.00 42.46 42.52 1hsh s ILE 54 CO -0.02 -0.05 0.50 0.20 -1.91 0.00 0.00 174.94 173.66 1hsh s ASN 55 N -0.18 6.27 0.48 4.50 -0.87 -1.26 -0.74 114.94 123.13 1hsh s ASN 55 Ca -0.02 -0.30 0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1hsh s ASN 55 Cb -0.01 -2.26 -0.01 0.00 -0.02 0.00 0.00 41.25 38.95 1hsh s ASN 55 CO -0.00 -0.56 0.22 0.42 -2.57 0.00 0.00 177.10 174.61 1hsh s THR 56 N 2.37 1.80 -0.05 1.60 -4.23 -0.43 -4.58 115.64 112.12 1hsh s THR 56 Ca 0.17 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1hsh s THR 56 Cb -0.16 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1hsh s THR 56 CO 0.14 0.00 -0.16 -0.54 -0.54 0.00 0.00 174.62 173.52 1hsh s LYS 57 N -4.03 1.82 -0.31 3.99 1.02 -0.67 -1.79 119.74 119.78 1hsh s LYS 57 Ca 0.30 -0.57 -0.08 0.00 0.02 0.00 0.00 55.97 55.64 1hsh s LYS 57 Cb 0.01 -1.54 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1hsh s LYS 57 CO 0.17 0.18 0.12 -2.00 -0.92 0.00 0.00 175.35 172.90 1hsh s GLU 58 N 0.22 3.16 -0.23 1.68 2.12 0.59 -0.25 118.70 126.00 1hsh s GLU 58 Ca -0.08 -0.82 -0.04 0.00 0.36 0.00 0.00 54.97 54.39 1hsh s GLU 58 Cb -0.13 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 1hsh s GLU 58 CO 0.03 -0.45 -0.03 0.71 -0.54 0.00 0.00 175.26 174.98 1hsh s TYR 59 N 1.55 2.99 0.21 5.30 1.51 -1.02 -2.21 117.35 125.68 1hsh s TYR 59 Ca 0.03 -1.00 -0.00 0.00 -1.01 0.00 0.00 57.07 55.09 1hsh s TYR 59 Cb -0.17 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1hsh s TYR 59 CO 0.04 -0.57 0.40 0.15 -1.11 0.00 0.00 175.55 174.47 1hsh s LYS 60 N 1.47 3.52 -0.86 -0.62 1.02 -1.26 -1.26 119.74 121.74 1hsh s LYS 60 Ca 0.05 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 55.66 1hsh s LYS 60 Cb -0.15 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1hsh s LYS 60 CO -0.03 0.38 0.79 -1.71 -0.92 0.00 0.00 175.35 173.86 1hsh n ASN 61 N -0.76 -7.22 -4.47 2.83 5.15 -0.55 -4.89 115.26 105.35 1hsh n ASN 61 Ca -0.05 -0.35 -0.30 0.00 -0.60 0.00 0.00 54.58 53.28 1hsh n ASN 61 Cb 0.54 -5.21 -0.12 0.00 -0.53 0.00 0.00 39.78 34.46 1hsh n ASN 61 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1hsh s VAL 62 N -3.17 2.83 -0.41 3.44 1.01 0.25 -4.74 120.40 119.60 1hsh s VAL 62 Ca 0.20 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 1hsh s VAL 62 Cb -0.03 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 1hsh s VAL 62 CO 0.73 0.29 1.56 -0.70 0.00 0.00 0.00 175.10 176.98 1hsh s GLU 63 N -1.60 3.41 -0.17 2.72 2.12 -1.26 -1.02 118.70 122.90 1hsh s GLU 63 Ca 0.15 1.03 -0.00 0.00 0.36 0.00 0.00 54.97 56.51 1hsh s GLU 63 Cb -0.11 -4.11 0.04 0.00 0.26 0.00 0.00 34.13 30.21 1hsh s GLU 63 CO 0.06 -1.77 -0.06 0.42 -0.54 0.00 0.00 175.26 173.37 1hsh s ILE 64 N 6.19 1.20 -0.33 -3.70 1.01 0.45 -0.30 121.20 125.71 1hsh s ILE 64 Ca 0.67 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1hsh s ILE 64 Cb -0.16 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1hsh s ILE 64 CO 0.32 0.14 0.14 -0.70 0.00 0.00 0.00 174.94 174.83 1hsh s GLU 65 N 1.59 2.94 -0.02 2.79 -6.30 -0.64 0.58 118.70 119.64 1hsh s GLU 65 Ca 0.00 -0.98 -0.06 0.00 -2.50 0.00 0.00 54.97 51.44 1hsh s GLU 65 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 34.13 30.45 1hsh s GLU 65 CO -0.08 -0.57 0.12 0.54 0.02 0.00 0.00 175.26 175.30 1hsh s VAL 66 N 1.51 0.05 -1.38 3.70 0.11 -0.61 -1.93 120.40 121.85 1hsh s VAL 66 Ca 0.02 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.57 1hsh s VAL 66 Cb -0.18 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1hsh s VAL 66 CO 0.04 -0.23 1.00 0.18 -3.33 0.00 0.00 175.10 172.76 1hsh n LEU 67 N 2.10 -3.19 -0.89 2.54 7.99 -1.26 -1.32 117.00 122.97 1hsh n LEU 67 Ca -0.19 -0.68 -0.05 0.00 -0.01 0.00 0.00 56.01 55.08 1hsh n LEU 67 Cb 0.57 -2.83 -0.02 0.00 -0.11 0.00 0.00 43.42 41.03 1hsh n LEU 67 CO 0.21 0.50 -0.05 0.59 -1.51 0.00 0.00 177.39 177.13 1hsh n ASN 68 N -2.99 -1.98 -4.86 -1.43 4.13 -1.26 -4.95 115.26 101.92 1hsh n ASN 68 Ca -0.09 0.13 -0.22 0.00 1.68 0.00 0.00 54.58 56.08 1hsh n ASN 68 Cb 0.59 -1.91 -0.04 0.00 -1.54 0.00 0.00 39.78 36.89 1hsh n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1hsh s LYS 69 N -2.11 3.07 0.02 3.52 -0.14 -0.44 -5.12 119.74 118.53 1hsh s LYS 69 Ca 0.00 -0.96 0.06 0.00 -1.36 0.00 0.00 55.97 53.71 1hsh s LYS 69 Cb 0.00 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 1hsh s LYS 69 CO 0.00 0.42 -0.15 0.15 -0.76 0.00 0.00 175.35 175.01 1hsh s LYS 70 N -3.82 2.26 0.00 1.68 -0.14 -1.26 -1.58 119.74 116.87 1hsh s LYS 70 Ca 0.33 -0.87 -0.07 0.00 -1.36 0.00 0.00 55.97 54.00 1hsh s LYS 70 Cb -0.08 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 1hsh s LYS 70 CO 0.26 0.57 0.13 0.08 -0.76 0.00 0.00 175.35 175.63 1hsh s VAL 71 N -0.91 0.08 -0.15 3.17 1.01 0.20 -4.98 120.40 118.82 1hsh s VAL 71 Ca 0.15 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1hsh s VAL 71 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1hsh s VAL 71 CO 0.05 -0.36 0.10 -0.60 0.00 0.00 0.00 175.10 174.29 1hsh s ARG 72 N -1.30 3.65 0.07 2.72 6.06 -1.25 -0.41 118.95 128.48 1hsh s ARG 72 Ca -0.14 -0.24 -0.05 0.00 -2.50 0.00 0.00 55.73 52.80 1hsh s ARG 72 Cb -0.07 -3.18 -0.02 0.00 0.06 0.00 0.00 34.95 31.74 1hsh s ARG 72 CO 0.01 0.56 0.09 0.00 -2.50 0.00 0.00 175.30 173.46 1hsh s ALA 73 N -0.41 0.07 -0.26 6.12 0.00 -0.19 -4.74 121.76 122.36 1hsh s ALA 73 Ca 0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.08 1hsh s ALA 73 Cb -0.12 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1hsh s ALA 73 CO 0.02 -0.43 0.44 0.99 0.00 0.00 0.00 175.76 176.78 1hsh s THR 74 N -3.68 5.13 -0.05 0.00 2.01 -1.26 -0.59 115.64 117.21 1hsh s THR 74 Ca 0.04 0.72 0.03 0.00 0.31 0.00 0.00 61.69 62.79 1hsh s THR 74 Cb 0.05 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1hsh s THR 74 CO -0.10 0.14 -0.12 0.27 -0.69 0.00 0.00 174.62 174.12 1hsh s ILE 75 N 2.06 1.08 0.43 1.82 -4.36 -0.39 -4.62 121.20 117.22 1hsh s ILE 75 Ca 0.18 -0.49 -0.07 0.00 -0.26 0.00 0.00 60.65 60.01 1hsh s ILE 75 Cb -0.16 -0.97 -0.05 0.00 1.25 0.00 0.00 42.46 42.54 1hsh s ILE 75 CO 0.09 0.33 0.75 -0.04 0.24 0.00 0.00 174.94 176.31 1hsh s MET 76 N 0.35 3.64 -0.24 0.37 -1.94 -0.07 -2.43 119.30 118.98 1hsh s MET 76 Ca -0.08 0.27 0.02 0.00 -1.71 0.00 0.00 55.69 54.19 1hsh s MET 76 Cb -0.12 -2.42 0.06 0.00 2.01 0.00 0.00 34.83 34.36 1hsh s MET 76 CO 0.02 -0.09 -0.11 0.99 -0.01 0.00 0.00 175.02 175.83 1hsh s THR 77 N -2.52 2.00 0.31 2.05 2.01 0.65 -1.51 115.64 118.64 1hsh s THR 77 Ca 0.48 -1.45 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1hsh s THR 77 Cb -0.10 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1hsh s THR 77 CO 0.38 0.02 0.32 -0.83 -0.69 0.00 0.00 174.62 173.82 1hsh s GLY 78 N 1.19 1.89 -1.29 4.40 0.00 -1.18 -1.67 107.32 110.66 1hsh s GLY 78 Ca -0.07 -1.81 -0.11 0.00 0.00 0.00 0.00 44.72 42.73 1hsh s GLY 78 CO -0.06 -1.29 1.81 1.34 0.00 0.00 0.00 173.10 174.90 1hsh n ASP 79 N -1.27 4.98 -4.80 1.64 2.03 -1.26 -4.04 116.55 113.83 1hsh n ASP 79 Ca 0.04 -3.05 -0.37 0.00 0.52 0.00 0.00 54.79 51.94 1hsh n ASP 79 Cb 0.63 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1hsh n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1hsh s THR 80 N 1.09 5.29 0.55 5.18 -1.32 -1.26 -4.99 115.64 120.18 1hsh s THR 80 Ca 0.42 0.52 0.24 0.00 -1.21 0.00 0.00 61.69 61.65 1hsh s THR 80 Cb 0.07 -3.58 0.34 0.00 -1.51 0.00 0.00 72.50 67.81 1hsh s THR 80 CO -0.00 0.51 2.12 1.55 -2.21 0.00 0.00 174.62 176.59 1hsh h PRO 81 N 5.64 0.00 -3.43 7.08 0.13 -1.98 -3.44 132.00 136.00 1hsh h PRO 81 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1hsh h PRO 81 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 1hsh h PRO 81 CO 0.67 0.00 -0.52 -1.50 -0.23 0.00 0.00 178.00 176.42 1hsh s ILE 82 N -4.87 0.04 0.23 -3.56 2.07 -1.26 -5.12 121.20 108.73 1hsh s ILE 82 Ca -0.05 -0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.60 1hsh s ILE 82 Cb 0.17 -0.31 -0.09 0.00 0.13 0.00 0.00 42.46 42.36 1hsh s ILE 82 CO 0.63 -0.16 1.08 0.20 -1.91 0.00 0.00 174.94 174.78 1hsh s ASN 83 N -0.54 7.32 -0.07 4.50 0.01 -1.26 -4.85 114.94 120.05 1hsh s ASN 83 Ca -0.06 2.16 0.01 0.00 -0.71 0.00 0.00 52.86 54.26 1hsh s ASN 83 Cb -0.04 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.02 1hsh s ASN 83 CO 0.01 -0.14 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.75 1hsh s ILE 84 N -0.80 0.93 -0.43 0.60 1.01 -0.57 -0.48 121.20 121.46 1hsh s ILE 84 Ca 0.46 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.68 1hsh s ILE 84 Cb -0.30 -0.90 0.07 0.00 0.01 0.00 0.00 42.46 41.33 1hsh s ILE 84 CO 0.37 0.32 0.30 -0.36 0.00 0.00 0.00 174.94 175.58 1hsh s PHE 85 N 1.08 3.29 0.00 3.97 0.40 0.84 -2.35 117.98 125.21 1hsh s PHE 85 Ca -0.07 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 1hsh s PHE 85 Cb -0.14 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.44 1hsh s PHE 85 CO -0.01 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 175.52 1hsh n GLY 86 N 5.03 0.21 0.28 4.36 0.00 -1.17 -1.41 105.19 112.49 1hsh n GLY 86 Ca -0.11 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 1hsh n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hsh h ARG 87 N 0.00 0.65 -0.43 1.61 3.08 -0.24 -1.38 114.38 117.68 1hsh h ARG 87 Ca 0.00 -0.17 0.11 0.00 0.07 0.00 0.00 59.98 59.99 1hsh h ARG 87 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1hsh h ARG 87 CO 0.00 0.69 0.31 -2.95 -1.07 0.00 0.00 179.97 176.94 1hsh h ASN 88 N 0.62 0.08 0.14 7.04 -1.07 -1.62 -0.85 115.58 119.92 1hsh h ASN 88 Ca 0.12 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.15 1hsh h ASN 88 Cb 0.42 -0.02 -0.06 0.00 -2.07 0.00 0.00 38.32 36.59 1hsh h ASN 88 CO 0.02 0.05 -2.19 -0.38 0.07 0.00 0.00 177.43 175.00 1hsh n ILE 89 N -4.43 1.48 -0.02 6.14 5.41 -0.97 -3.93 119.36 123.05 1hsh n ILE 89 Ca 0.07 -0.80 -0.03 0.00 1.00 0.00 0.00 62.75 62.99 1hsh n ILE 89 Cb 0.44 -0.79 0.20 0.00 -0.71 0.00 0.00 39.64 38.78 1hsh n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1hsh h LEU 90 N 0.00 0.55 0.16 1.39 3.38 -0.10 -0.89 115.31 119.81 1hsh h LEU 90 Ca -0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1hsh h LEU 90 Cb 2.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1hsh h LEU 90 CO 0.03 0.74 -0.08 0.71 0.09 0.00 0.00 178.44 179.94 1hsh h THR 91 N 0.51 0.96 -0.85 0.22 1.35 -1.41 -1.75 112.91 111.93 1hsh h THR 91 Ca 0.08 -0.60 0.16 0.00 -0.55 0.00 0.00 66.41 65.51 1hsh h THR 91 Cb 0.59 1.33 -0.16 0.00 -1.73 0.00 0.00 68.15 68.18 1hsh h THR 91 CO 0.04 0.14 -0.27 0.00 -0.25 0.00 0.00 175.52 175.17 1hsh h ALA 92 N 0.28 0.38 0.00 6.62 0.00 -1.57 0.51 119.26 125.48 1hsh h ALA 92 Ca -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1hsh h ALA 92 Cb 0.39 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1hsh h ALA 92 CO 0.04 -0.49 -0.06 -0.07 0.00 0.00 0.00 179.25 178.67 1hsh h LEU 93 N -0.03 0.00 0.51 0.00 4.07 -1.05 -3.47 115.31 115.35 1hsh h LEU 93 Ca 0.37 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.26 1hsh h LEU 93 Cb 0.62 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1hsh h LEU 93 CO -0.88 0.06 -0.09 0.61 -1.08 0.00 0.00 178.44 177.05 1hsh n GLY 94 N -0.42 0.22 3.83 0.83 0.00 0.18 -5.06 105.19 104.77 1hsh n GLY 94 Ca -0.01 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 1hsh n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hsh s MET 95 N -4.17 3.98 0.13 1.61 -1.94 -0.72 -5.04 119.30 113.14 1hsh s MET 95 Ca 0.00 1.07 0.00 0.00 -1.71 0.00 0.00 55.69 55.05 1hsh s MET 95 Cb 0.00 -2.14 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 1hsh s MET 95 CO 0.00 -0.25 0.01 -1.54 -0.01 0.00 0.00 175.02 173.23 1hsh s SER 96 N -2.64 0.71 -0.11 3.03 1.04 -1.26 -4.74 113.70 109.72 1hsh s SER 96 Ca 0.61 -1.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.78 1hsh s SER 96 Cb -0.11 0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1hsh s SER 96 CO 0.24 -0.63 0.28 -0.76 0.98 0.00 0.00 173.24 173.36 1hsh s LEU 97 N -3.06 4.34 -0.06 2.42 1.43 -1.26 -5.08 118.68 117.41 1hsh s LEU 97 Ca 0.20 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1hsh s LEU 97 Cb 0.07 -2.35 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 1hsh s LEU 97 CO -0.00 0.23 -0.19 0.20 0.23 0.00 0.00 176.35 176.82 1hsh s ASN 98 N -0.29 2.46 0.00 2.29 0.01 -1.26 -5.30 114.94 112.85 1hsh s ASN 98 Ca 0.18 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1hsh s ASN 98 Cb -0.14 -0.79 0.00 0.00 0.41 0.00 0.00 41.25 40.74 1hsh s ASN 98 CO 0.06 0.16 0.00 0.18 -1.51 0.00 0.00 177.10 176.00