#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 1.03 -0.22 -0.52 -0.44 -1.26 -5.13 119.66 113.12 1hsh s GLN 2 Ca 0.00 -1.02 -0.27 0.00 -2.50 0.00 0.00 55.36 51.57 1hsh s GLN 2 Cb 0.00 -0.12 -0.00 0.00 -1.64 0.00 0.00 33.01 31.25 1hsh s GLN 2 CO 0.00 -1.31 0.92 -0.06 0.50 0.00 0.00 175.29 175.33 1hsh s PHE 3 N 0.96 3.35 0.37 1.67 0.40 -1.26 -5.02 117.98 118.45 1hsh s PHE 3 Ca 0.28 1.30 -0.24 0.00 -0.60 0.00 0.00 56.93 57.68 1hsh s PHE 3 Cb -0.01 -3.13 -0.10 0.00 0.51 0.00 0.00 43.02 40.29 1hsh s PHE 3 CO -0.06 -0.39 0.95 -1.54 0.70 0.00 0.00 175.22 174.88 1hsh s SER 4 N 1.24 7.15 -0.34 1.36 1.04 -1.26 -4.96 113.70 117.93 1hsh s SER 4 Ca 0.40 1.78 0.05 0.00 0.48 0.00 0.00 55.95 58.66 1hsh s SER 4 Cb -0.16 -2.56 0.58 0.00 0.10 0.00 0.00 66.02 63.99 1hsh s SER 4 CO 0.08 -0.21 1.72 0.18 0.98 0.00 0.00 173.24 175.99 1hsh n LEU 5 N 0.03 5.89 0.05 2.42 4.77 -1.26 -4.29 117.00 124.61 1hsh n LEU 5 Ca 0.04 -3.11 -0.12 0.00 -0.03 0.00 0.00 56.01 52.79 1hsh n LEU 5 Cb 0.52 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1hsh n LEU 5 CO 0.41 0.88 0.26 -0.50 -1.33 0.00 0.00 177.39 177.11 1hsh h TRP 6 N 1.35 0.64 -1.66 -1.77 4.06 -2.03 -3.43 115.95 113.10 1hsh h TRP 6 Ca 0.42 -0.31 -0.54 0.00 2.06 0.00 0.00 58.89 60.52 1hsh h TRP 6 Cb 2.40 -0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 30.40 1hsh h TRP 6 CO 1.25 1.11 -0.48 0.15 -3.56 0.00 0.00 178.44 176.91 1hsh s LYS 7 N -3.46 2.35 0.05 0.49 3.01 -1.26 -5.10 119.74 115.82 1hsh s LYS 7 Ca -0.06 -1.67 -0.34 0.00 -1.01 0.00 0.00 55.97 52.88 1hsh s LYS 7 Cb 0.09 -2.14 -0.13 0.00 -1.01 0.00 0.00 37.83 34.64 1hsh s LYS 7 CO 0.86 -0.07 1.68 0.54 0.51 0.00 0.00 175.35 178.87 1hsh n ARG 8 N -1.29 2.05 -2.38 1.68 1.74 -1.26 -4.88 116.66 112.31 1hsh n ARG 8 Ca -0.00 0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 57.46 1hsh n ARG 8 Cb 0.63 -2.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 1hsh n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hsh s PRO 9 N 2.11 3.28 -0.18 5.56 0.04 -1.26 -4.94 135.00 139.61 1hsh s PRO 9 Ca 0.85 -1.07 -0.06 0.00 0.04 0.00 0.00 61.00 60.76 1hsh s PRO 9 Cb -0.72 -5.30 -0.03 0.00 0.04 0.00 0.00 34.50 28.49 1hsh s PRO 9 CO 0.45 -2.71 0.02 0.08 0.04 0.00 0.00 177.00 174.87 1hsh s VAL 10 N 6.82 4.26 0.44 -0.36 1.01 -1.26 -0.94 120.40 130.37 1hsh s VAL 10 Ca 0.56 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1hsh s VAL 10 Cb -0.01 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1hsh s VAL 10 CO -0.02 0.45 0.05 0.68 0.00 0.00 0.00 175.10 176.27 1hsh s VAL 11 N 0.60 1.82 -0.14 2.92 -7.23 -0.70 -4.94 120.40 112.74 1hsh s VAL 11 Ca 0.00 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 1hsh s VAL 11 Cb -0.14 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1hsh s VAL 11 CO 0.02 0.00 0.52 -0.89 -0.31 0.00 0.00 175.10 174.44 1hsh s THR 12 N -2.74 5.14 0.24 5.32 2.01 -1.26 -0.92 115.64 123.43 1hsh s THR 12 Ca 0.28 1.01 0.09 0.00 0.31 0.00 0.00 61.69 63.38 1hsh s THR 12 Cb 0.06 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1hsh s THR 12 CO 0.15 0.26 -0.01 0.00 -0.69 0.00 0.00 174.62 174.33 1hsh s ALA 13 N 1.01 3.15 -0.24 7.40 0.00 0.11 -4.61 121.76 128.60 1hsh s ALA 13 Ca 0.26 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.60 1hsh s ALA 13 Cb -0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1hsh s ALA 13 CO 0.11 0.33 0.01 0.71 0.00 0.00 0.00 175.76 176.92 1hsh s TYR 14 N -2.12 3.02 -0.38 0.00 2.02 -0.41 -0.40 117.35 119.08 1hsh s TYR 14 Ca 0.30 -0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1hsh s TYR 14 Cb -0.07 -2.17 0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1hsh s TYR 14 CO 0.19 -0.48 0.23 0.42 -1.57 0.00 0.00 175.55 174.33 1hsh s ILE 15 N 1.53 4.72 -1.52 2.71 1.01 0.12 -1.27 121.20 128.51 1hsh s ILE 15 Ca 0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 1hsh s ILE 15 Cb -0.15 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.76 1hsh s ILE 15 CO -0.00 -0.25 0.74 -0.62 0.00 0.00 0.00 174.94 174.81 1hsh n GLU 16 N 5.03 -4.18 0.00 2.79 -0.58 0.10 -1.42 120.64 122.38 1hsh n GLU 16 Ca -0.12 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1hsh n GLU 16 Cb 0.46 -5.08 0.00 0.00 -0.57 0.00 0.00 31.44 26.25 1hsh n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hsh n GLY 17 N -1.67 2.93 3.65 0.62 0.00 -1.26 -5.04 105.19 104.42 1hsh n GLY 17 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1hsh n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hsh s GLN 18 N -0.53 4.21 0.19 1.61 0.74 -0.51 -4.95 119.66 120.42 1hsh s GLN 18 Ca 0.00 0.72 -0.30 0.00 0.05 0.00 0.00 55.36 55.83 1hsh s GLN 18 Cb 0.00 -3.60 -0.08 0.00 1.10 0.00 0.00 33.01 30.43 1hsh s GLN 18 CO 0.00 -0.32 1.13 -1.25 -0.55 0.00 0.00 175.29 174.30 1hsh s PRO 19 N 2.18 4.56 0.00 1.67 0.04 -1.26 0.14 135.00 142.33 1hsh s PRO 19 Ca 0.31 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 1hsh s PRO 19 Cb -0.16 -3.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 1hsh s PRO 19 CO 0.10 0.03 0.10 0.14 0.04 0.00 0.00 177.00 177.41 1hsh s VAL 20 N -0.25 0.09 -0.16 -0.36 -7.23 0.47 -4.94 120.40 108.00 1hsh s VAL 20 Ca 0.50 -0.71 -0.16 0.00 -1.81 0.00 0.00 61.98 59.80 1hsh s VAL 20 Cb -0.31 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1hsh s VAL 20 CO 0.36 -0.39 0.40 -1.61 -0.31 0.00 0.00 175.10 173.55 1hsh s GLU 21 N -1.34 4.25 0.01 4.82 0.41 -1.26 0.08 118.70 125.67 1hsh s GLU 21 Ca -0.14 0.26 0.04 0.00 -0.41 0.00 0.00 54.97 54.71 1hsh s GLU 21 Cb -0.08 -3.47 -0.01 0.00 -1.78 0.00 0.00 34.13 28.78 1hsh s GLU 21 CO 0.01 0.10 -0.12 0.14 -0.49 0.00 0.00 175.26 174.90 1hsh s VAL 22 N 0.86 0.94 -0.18 2.63 -7.23 -0.10 -4.41 120.40 112.91 1hsh s VAL 22 Ca 0.21 -0.68 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 1hsh s VAL 22 Cb -0.14 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 1hsh s VAL 22 CO 0.07 0.14 0.69 -0.22 -0.31 0.00 0.00 175.10 175.47 1hsh s LEU 23 N -0.61 4.17 -0.42 1.32 2.96 0.65 -1.71 118.68 125.03 1hsh s LEU 23 Ca 0.03 0.96 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 1hsh s LEU 23 Cb -0.06 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.66 1hsh s LEU 23 CO 0.00 -0.29 1.07 -0.76 -1.32 0.00 0.00 176.35 175.06 1hsh s LEU 24 N 1.85 3.79 -0.28 -0.68 1.43 -0.12 -1.24 118.68 123.43 1hsh s LEU 24 Ca 0.32 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1hsh s LEU 24 Cb -0.16 -3.47 0.08 0.00 0.03 0.00 0.00 46.19 42.66 1hsh s LEU 24 CO 0.12 -1.09 -0.00 -0.62 0.23 0.00 0.00 176.35 174.98 1hsh s ASP 25 N 2.17 4.16 0.48 2.29 -1.08 -0.64 -4.77 116.67 119.27 1hsh s ASP 25 Ca 0.45 -1.52 0.27 0.00 -0.52 0.00 0.00 52.55 51.22 1hsh s ASP 25 Cb -0.09 -1.26 1.05 0.00 -1.46 0.00 0.00 42.92 41.16 1hsh s ASP 25 CO 0.26 -0.30 1.87 0.71 0.52 0.00 0.00 175.17 178.23 1hsh h THR 26 N 6.63 0.37 -0.00 1.71 1.35 -1.94 -2.97 112.91 118.06 1hsh h THR 26 Ca -0.14 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1hsh h THR 26 Cb 1.05 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1hsh h THR 26 CO 0.45 0.14 -0.13 0.61 -0.25 0.00 0.00 175.52 176.35 1hsh n GLY 27 N 0.12 -1.11 3.67 5.82 0.00 -1.26 -4.76 105.19 107.68 1hsh n GLY 27 Ca 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.64 3.53 0.24 4.61 0.00 -1.12 -4.94 121.76 121.43 1hsh s ALA 28 Ca 0.24 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1hsh s ALA 28 Cb 0.20 -2.78 0.26 0.00 0.00 0.00 0.00 23.12 20.80 1hsh s ALA 28 CO 0.51 -0.36 1.57 -0.44 0.00 0.00 0.00 175.76 177.04 1hsh h ASP 29 N 7.32 0.26 -4.56 0.00 3.32 -1.88 0.22 116.42 121.10 1hsh h ASP 29 Ca -0.35 -0.15 -0.49 0.00 0.02 0.00 0.00 57.03 56.07 1hsh h ASP 29 Cb 1.16 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 40.53 1hsh h ASP 29 CO 0.74 0.79 -0.40 0.47 -1.72 0.00 0.00 179.24 179.13 1hsh n ASP 30 N -3.88 1.43 -4.25 6.45 8.00 -1.26 -3.17 116.55 119.88 1hsh n ASP 30 Ca -0.02 -2.86 -0.28 0.00 0.71 0.00 0.00 54.79 52.34 1hsh n ASP 30 Cb 0.61 0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 42.36 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 -3.17 2.61 -0.15 -2.24 0.01 -1.26 -3.33 113.70 106.18 1hsh s SER 31 Ca 0.16 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 56.95 1hsh s SER 31 Cb 0.01 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 66.01 1hsh s SER 31 CO 0.11 0.27 0.33 -0.51 0.41 0.00 0.00 173.24 173.85 1hsh s ILE 32 N -0.52 -0.23 0.22 1.44 2.07 -1.10 -1.00 121.20 122.09 1hsh s ILE 32 Ca 0.09 0.17 0.10 0.00 -1.41 0.00 0.00 60.65 59.59 1hsh s ILE 32 Cb -0.09 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 41.95 1hsh s ILE 32 CO -0.01 0.07 -0.18 0.68 -1.91 0.00 0.00 174.94 173.59 1hsh s VAL 33 N 1.80 2.09 0.38 4.00 -7.23 -0.11 -1.21 120.40 120.12 1hsh s VAL 33 Ca -0.06 -2.21 0.08 0.00 -1.81 0.00 0.00 61.98 57.99 1hsh s VAL 33 Cb -0.10 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.67 1hsh s VAL 33 CO -0.10 -0.42 0.07 0.00 -0.31 0.00 0.00 175.10 174.33 1hsh s ALA 34 N -2.48 3.32 0.00 1.32 0.00 -1.26 -1.14 121.76 121.52 1hsh s ALA 34 Ca 0.24 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1hsh s ALA 34 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1hsh s ALA 34 CO 0.10 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1hsh n GLY 35 N -1.05 0.83 3.24 0.00 0.00 -1.26 -5.00 105.19 101.96 1hsh n GLY 35 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1hsh n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hsh s ILE 36 N -3.32 1.67 -0.28 -0.61 -4.36 -1.26 -5.13 121.20 107.91 1hsh s ILE 36 Ca 0.00 -1.07 -0.08 0.00 -0.26 0.00 0.00 60.65 59.23 1hsh s ILE 36 Cb 0.00 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 42.27 1hsh s ILE 36 CO 0.00 0.32 0.11 -0.70 0.24 0.00 0.00 174.94 174.91 1hsh s GLU 37 N -0.89 3.47 0.00 0.37 -6.30 -1.26 -4.95 118.70 109.15 1hsh s GLU 37 Ca 0.08 -0.61 0.15 0.00 -2.50 0.00 0.00 54.97 52.09 1hsh s GLU 37 Cb -0.08 -3.44 -0.01 0.00 0.00 0.00 0.00 34.13 30.59 1hsh s GLU 37 CO 0.01 -0.31 0.81 1.28 0.02 0.00 0.00 175.26 177.06 1hsh n LEU 38 N 4.95 1.51 0.00 2.70 4.77 -1.26 -5.09 117.00 124.58 1hsh n LEU 38 Ca -0.15 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1hsh n LEU 38 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1hsh n LEU 38 CO 0.32 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1hsh n GLY 39 N 1.12 0.54 0.02 -0.72 0.00 -1.26 -4.83 105.19 100.06 1hsh n GLY 39 Ca 0.06 -2.22 0.11 0.00 0.00 0.00 0.00 46.02 43.97 1hsh n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hsh n ASN 40 N 0.73 0.61 -4.23 1.61 4.05 -1.26 -4.57 115.26 112.21 1hsh n ASN 40 Ca 0.00 -0.44 -0.43 0.00 0.45 0.00 0.00 54.58 54.16 1hsh n ASN 40 Cb 0.00 1.11 0.00 0.00 1.23 0.00 0.00 39.78 42.12 1hsh n ASN 40 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1hsh n ASN 41 N -1.85 4.57 -4.36 1.20 3.02 -1.26 -4.90 115.26 111.68 1hsh n ASN 41 Ca 0.01 -2.90 -0.18 0.00 -0.03 0.00 0.00 54.58 51.48 1hsh n ASN 41 Cb 0.43 -1.69 -0.10 0.00 -0.61 0.00 0.00 39.78 37.80 1hsh n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1hsh s TYR 42 N 3.53 1.68 -0.05 3.10 1.13 -1.26 -4.68 117.35 120.79 1hsh s TYR 42 Ca 0.50 -0.83 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 1hsh s TYR 42 Cb 0.07 -0.96 -0.03 0.00 -1.10 0.00 0.00 41.96 39.95 1hsh s TYR 42 CO 0.01 0.09 -0.02 -1.12 -2.51 0.00 0.00 175.55 172.00 1hsh s SER 43 N -3.34 5.03 0.32 -0.18 0.01 -0.11 -4.88 113.70 110.55 1hsh s SER 43 Ca 0.28 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.29 1hsh s SER 43 Cb 0.05 -1.34 -0.10 0.00 0.21 0.00 0.00 66.02 64.84 1hsh s SER 43 CO 0.09 0.34 1.32 -2.16 0.41 0.00 0.00 173.24 173.24 1hsh s PRO 44 N -1.11 4.34 -0.10 12.44 0.04 -1.26 0.35 135.00 149.70 1hsh s PRO 44 Ca 0.15 2.22 -0.08 0.00 0.04 0.00 0.00 61.00 63.34 1hsh s PRO 44 Cb -0.11 -3.08 0.03 0.00 0.04 0.00 0.00 34.50 31.38 1hsh s PRO 44 CO 0.05 -0.22 0.26 0.21 0.04 0.00 0.00 177.00 177.34 1hsh s LYS 45 N -1.58 0.27 -0.13 4.56 2.20 -0.57 -4.88 119.74 119.62 1hsh s LYS 45 Ca 0.50 0.44 -0.07 0.00 -0.36 0.00 0.00 55.97 56.49 1hsh s LYS 45 Cb -0.40 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 1hsh s LYS 45 CO 0.51 -0.09 0.12 0.42 -0.36 0.00 0.00 175.35 175.96 1hsh s ILE 46 N 0.59 5.35 0.02 5.43 1.01 -1.26 -0.31 121.20 132.03 1hsh s ILE 46 Ca -0.04 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.81 1hsh s ILE 46 Cb -0.05 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1hsh s ILE 46 CO -0.03 0.59 -0.13 0.54 0.00 0.00 0.00 174.94 175.91 1hsh s VAL 47 N -0.80 1.03 -0.27 2.92 0.11 -0.55 -4.98 120.40 117.86 1hsh s VAL 47 Ca 0.14 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1hsh s VAL 47 Cb -0.12 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1hsh s VAL 47 CO 0.03 0.12 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.08 1hsh s GLY 48 N -0.75 1.68 0.00 6.54 0.00 -1.26 -0.93 107.32 112.61 1hsh s GLY 48 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1hsh s GLY 48 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.29 1hsh n GLY 49 N 4.72 1.96 0.26 0.20 0.00 -0.15 -4.99 105.19 107.19 1hsh n GLY 49 Ca -0.16 -2.12 0.16 0.00 0.00 0.00 0.00 46.02 43.90 1hsh n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hsh h ILE 50 N 0.01 0.03 0.00 -0.61 2.10 -2.03 -2.90 117.51 114.11 1hsh h ILE 50 Ca 0.00 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1hsh h ILE 50 Cb 0.00 1.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 1hsh h ILE 50 CO 0.00 0.01 -0.97 0.61 -1.08 0.00 0.00 178.15 176.73 1hsh n GLY 51 N 0.24 -1.32 0.00 8.18 0.00 -1.26 -5.08 105.19 105.95 1hsh n GLY 51 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.30 0.63 3.44 -0.02 0.00 -1.10 -5.13 105.19 104.32 1hsh n GLY 52 Ca 0.01 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.27 2.87 0.15 1.61 0.08 -1.26 -0.98 117.98 117.17 1hsh s PHE 53 Ca 0.00 -0.41 0.08 0.00 0.12 0.00 0.00 56.93 56.72 1hsh s PHE 53 Cb 0.00 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1hsh s PHE 53 CO 0.00 -0.05 -0.18 0.96 -0.10 0.00 0.00 175.22 175.85 1hsh s ILE 54 N 0.07 1.70 0.22 0.64 -4.36 -0.10 -4.97 121.20 114.39 1hsh s ILE 54 Ca -0.04 -1.82 -0.28 0.00 -0.26 0.00 0.00 60.65 58.26 1hsh s ILE 54 Cb -0.14 -1.73 -0.09 0.00 1.25 0.00 0.00 42.46 41.75 1hsh s ILE 54 CO 0.04 -0.30 0.87 0.20 0.24 0.00 0.00 174.94 175.99 1hsh s ASN 55 N -2.51 7.51 0.20 4.36 0.01 -1.26 -1.49 114.94 121.77 1hsh s ASN 55 Ca 0.13 1.81 -0.01 0.00 -0.71 0.00 0.00 52.86 54.08 1hsh s ASN 55 Cb -0.06 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1hsh s ASN 55 CO 0.05 0.16 0.12 0.42 -1.51 0.00 0.00 177.10 176.34 1hsh s THR 56 N -1.21 0.07 -0.16 1.60 -4.23 0.58 -4.69 115.64 107.59 1hsh s THR 56 Ca 0.40 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.90 1hsh s THR 56 Cb -0.24 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1hsh s THR 56 CO 0.29 -0.05 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.70 1hsh s LYS 57 N -4.14 3.46 -0.25 3.99 1.02 -0.66 -1.51 119.74 121.66 1hsh s LYS 57 Ca 0.37 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 1hsh s LYS 57 Cb 0.07 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1hsh s LYS 57 CO 0.11 0.11 0.07 -2.00 -0.92 0.00 0.00 175.35 172.73 1hsh s GLU 58 N 0.65 3.68 0.04 1.68 2.12 0.15 -1.17 118.70 125.85 1hsh s GLU 58 Ca -0.05 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 54.85 1hsh s GLU 58 Cb -0.15 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1hsh s GLU 58 CO 0.02 -0.17 -0.04 0.71 -0.54 0.00 0.00 175.26 175.24 1hsh s TYR 59 N 1.57 2.93 0.02 5.30 1.51 -0.86 -0.93 117.35 126.88 1hsh s TYR 59 Ca 0.06 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.14 1hsh s TYR 59 Cb -0.15 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1hsh s TYR 59 CO 0.04 0.43 -0.14 0.15 -1.11 0.00 0.00 175.55 174.92 1hsh s LYS 60 N -1.80 2.29 -1.28 -0.62 1.02 -1.26 -2.03 119.74 116.05 1hsh s LYS 60 Ca 0.21 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 1hsh s LYS 60 Cb -0.11 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1hsh s LYS 60 CO 0.12 0.57 0.73 0.09 -0.92 0.00 0.00 175.35 175.94 1hsh n ASN 61 N 1.62 -1.57 -4.81 2.83 4.13 -0.98 -4.92 115.26 111.56 1hsh n ASN 61 Ca -0.16 -0.81 -0.37 0.00 1.68 0.00 0.00 54.58 54.93 1hsh n ASN 61 Cb 0.52 -4.15 -0.06 0.00 -1.54 0.00 0.00 39.78 34.55 1hsh n ASN 61 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1hsh s VAL 62 N -3.63 4.58 -0.21 2.41 1.01 0.01 -4.69 120.40 119.89 1hsh s VAL 62 Ca 0.04 1.28 -0.25 0.00 0.00 0.00 0.00 61.98 63.05 1hsh s VAL 62 Cb -0.01 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1hsh s VAL 62 CO 0.80 0.26 0.84 -0.70 0.00 0.00 0.00 175.10 176.31 1hsh s GLU 63 N -1.84 4.24 -0.06 2.72 2.12 -1.26 -0.39 118.70 124.23 1hsh s GLU 63 Ca 0.41 1.00 0.05 0.00 0.36 0.00 0.00 54.97 56.79 1hsh s GLU 63 Cb -0.17 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1hsh s GLU 63 CO 0.21 -0.43 -0.23 0.42 -0.54 0.00 0.00 175.26 174.69 1hsh s ILE 64 N 2.53 1.90 -0.12 -3.70 -1.09 0.11 0.03 121.20 120.84 1hsh s ILE 64 Ca 0.37 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1hsh s ILE 64 Cb -0.16 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.11 1hsh s ILE 64 CO 0.10 0.53 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.51 1hsh s GLU 65 N -0.01 2.90 -0.01 2.79 2.02 -0.40 0.26 118.70 126.24 1hsh s GLU 65 Ca -0.07 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1hsh s GLU 65 Cb -0.14 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1hsh s GLU 65 CO 0.04 0.04 -0.05 0.08 0.02 0.00 0.00 175.26 175.40 1hsh s VAL 66 N 0.68 0.41 -0.02 2.63 1.01 -0.25 -1.29 120.40 123.57 1hsh s VAL 66 Ca -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1hsh s VAL 66 Cb -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1hsh s VAL 66 CO 0.02 0.14 0.01 0.00 0.00 0.00 0.00 175.10 175.27 1hsh n LEU 67 N 3.25 -0.03 0.00 3.92 -0.00 -1.26 -0.80 117.00 122.07 1hsh n LEU 67 Ca -0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1hsh n LEU 67 Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1hsh n LEU 67 CO 0.25 0.01 0.00 0.59 -0.00 0.00 0.00 177.39 178.24 1hsh n ASN 68 N 0.47 0.00 -4.47 1.45 5.03 -1.26 -5.01 115.26 111.48 1hsh n ASN 68 Ca -0.01 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.10 1hsh n ASN 68 Cb 0.01 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.65 1hsh n ASN 68 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1hsh s LYS 69 N -0.19 3.63 -0.26 3.52 -0.14 0.02 -5.10 119.74 121.23 1hsh s LYS 69 Ca 0.00 -0.53 -0.07 0.00 -1.36 0.00 0.00 55.97 54.02 1hsh s LYS 69 Cb 0.00 -2.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.16 1hsh s LYS 69 CO 0.00 0.14 0.05 0.21 -0.76 0.00 0.00 175.35 174.99 1hsh s LYS 70 N 0.65 3.46 0.41 1.68 2.20 -1.26 -1.09 119.74 125.78 1hsh s LYS 70 Ca -0.02 -0.60 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1hsh s LYS 70 Cb -0.14 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1hsh s LYS 70 CO 0.02 -0.26 0.05 0.14 -0.36 0.00 0.00 175.35 174.94 1hsh s VAL 71 N 1.56 1.27 -0.10 4.02 -7.23 0.14 -4.96 120.40 115.10 1hsh s VAL 71 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1hsh s VAL 71 Cb -0.15 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1hsh s VAL 71 CO 0.02 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.60 1hsh s ARG 72 N -3.81 1.44 0.14 4.82 0.52 -1.25 0.04 118.95 120.85 1hsh s ARG 72 Ca 0.27 -0.24 -0.03 0.00 -0.52 0.00 0.00 55.73 55.20 1hsh s ARG 72 Cb 0.06 -1.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.04 1hsh s ARG 72 CO 0.13 -0.21 0.12 0.00 0.02 0.00 0.00 175.30 175.37 1hsh s ALA 73 N 1.51 0.61 0.07 2.13 0.00 0.48 -4.79 121.76 121.77 1hsh s ALA 73 Ca 0.01 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1hsh s ALA 73 Cb -0.13 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.81 1hsh s ALA 73 CO -0.05 -0.54 0.85 0.99 0.00 0.00 0.00 175.76 177.01 1hsh s THR 74 N -4.03 4.63 -0.01 0.00 2.01 -1.26 -0.81 115.64 116.18 1hsh s THR 74 Ca 0.22 1.82 0.00 0.00 0.31 0.00 0.00 61.69 64.05 1hsh s THR 74 Cb 0.06 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.38 1hsh s THR 74 CO 0.01 0.34 0.00 -0.51 -0.69 0.00 0.00 174.62 173.78 1hsh s ILE 75 N -0.04 0.05 -0.01 1.82 1.10 -0.86 -4.64 121.20 118.62 1hsh s ILE 75 Ca 0.42 0.04 -0.05 0.00 -0.51 0.00 0.00 60.65 60.55 1hsh s ILE 75 Cb -0.22 -0.09 -0.04 0.00 0.15 0.00 0.00 42.46 42.26 1hsh s ILE 75 CO 0.26 0.05 0.23 -0.04 -2.11 0.00 0.00 174.94 173.33 1hsh s MET 76 N 0.37 3.52 0.13 3.50 -1.94 -0.17 -2.03 119.30 122.68 1hsh s MET 76 Ca -0.03 -0.16 0.05 0.00 -1.71 0.00 0.00 55.69 53.85 1hsh s MET 76 Cb -0.05 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1hsh s MET 76 CO -0.01 0.67 0.04 0.95 -0.01 0.00 0.00 175.02 176.66 1hsh s THR 77 N -1.28 4.08 -0.59 2.05 -4.23 -0.32 -0.93 115.64 114.43 1hsh s THR 77 Ca 0.26 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1hsh s THR 77 Cb -0.13 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1hsh s THR 77 CO 0.16 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1hsh n GLY 78 N 0.17 -0.81 3.38 3.99 0.00 -0.30 -1.65 105.19 109.98 1hsh n GLY 78 Ca -0.10 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.75 1hsh n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hsh s ASP 79 N -4.00 6.19 -0.03 1.61 2.15 -1.26 -3.99 116.67 117.34 1hsh s ASP 79 Ca 0.00 -1.38 0.03 0.00 0.43 0.00 0.00 52.55 51.63 1hsh s ASP 79 Cb 0.00 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1hsh s ASP 79 CO 0.00 -1.01 -0.11 0.28 -0.17 0.00 0.00 175.17 174.15 1hsh s THR 80 N 2.47 0.98 0.33 1.71 -1.32 -1.26 -5.04 115.64 113.51 1hsh s THR 80 Ca 0.11 -0.47 0.07 0.00 -1.21 0.00 0.00 61.69 60.19 1hsh s THR 80 Cb -0.24 -0.86 0.31 0.00 -1.51 0.00 0.00 72.50 70.20 1hsh s THR 80 CO 0.07 0.30 1.85 1.55 -2.21 0.00 0.00 174.62 176.17 1hsh h PRO 81 N 6.36 0.74 -3.99 7.08 0.13 -2.00 -3.44 132.00 136.89 1hsh h PRO 81 Ca -0.33 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.57 1hsh h PRO 81 Cb 1.17 -0.17 -0.22 0.00 0.13 0.00 0.00 31.00 31.91 1hsh h PRO 81 CO 0.48 0.49 -0.71 -1.50 -0.23 0.00 0.00 178.00 176.54 1hsh s ILE 82 N -5.76 0.13 0.11 -3.56 2.07 -1.26 -5.11 121.20 107.81 1hsh s ILE 82 Ca -0.11 -0.77 -0.30 0.00 -1.41 0.00 0.00 60.65 58.06 1hsh s ILE 82 Cb 0.23 -0.25 -0.06 0.00 0.13 0.00 0.00 42.46 42.51 1hsh s ILE 82 CO 0.80 -0.40 1.00 0.20 -1.91 0.00 0.00 174.94 174.62 1hsh s ASN 83 N -1.22 7.42 -0.07 4.50 0.02 -1.26 -4.87 114.94 119.45 1hsh s ASN 83 Ca -0.13 1.85 0.05 0.00 -1.02 0.00 0.00 52.86 53.61 1hsh s ASN 83 Cb -0.08 -2.59 -0.00 0.00 0.02 0.00 0.00 41.25 38.59 1hsh s ASN 83 CO -0.01 -0.14 -0.22 -0.63 0.02 0.00 0.00 177.10 176.12 1hsh s ILE 84 N 0.13 1.88 -0.43 0.60 1.01 -0.35 -0.25 121.20 123.79 1hsh s ILE 84 Ca 0.49 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1hsh s ILE 84 Cb -0.25 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.69 1hsh s ILE 84 CO 0.31 0.52 0.28 -0.36 0.00 0.00 0.00 174.94 175.69 1hsh s PHE 85 N 0.13 3.34 0.00 3.97 0.40 -0.38 -2.71 117.98 122.74 1hsh s PHE 85 Ca -0.11 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 54.73 1hsh s PHE 85 Cb -0.15 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1hsh s PHE 85 CO 0.06 -0.85 0.00 0.41 0.70 0.00 0.00 175.22 175.53 1hsh n GLY 86 N 4.94 0.07 0.25 4.36 0.00 -1.21 -1.62 105.19 111.98 1hsh n GLY 86 Ca -0.10 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 0.43 0.00 1.61 3.08 -0.62 -1.41 114.38 117.47 1hsh h ARG 87 Ca 0.00 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1hsh h ARG 87 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1hsh h ARG 87 CO 0.00 0.56 -0.02 -2.95 -1.07 0.00 0.00 179.97 176.50 1hsh h ASN 88 N 0.40 0.00 0.08 7.04 -1.07 -1.80 -1.02 115.58 119.21 1hsh h ASN 88 Ca 0.08 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.07 1hsh h ASN 88 Cb 0.48 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.68 1hsh h ASN 88 CO 0.03 0.02 -2.20 -0.38 0.07 0.00 0.00 177.43 174.97 1hsh n ILE 89 N -4.37 1.64 -0.31 6.14 5.41 -0.83 -3.76 119.36 123.28 1hsh n ILE 89 Ca -0.03 -0.63 -0.04 0.00 1.00 0.00 0.00 62.75 63.05 1hsh n ILE 89 Cb 0.10 -1.54 0.08 0.00 -0.71 0.00 0.00 39.64 37.58 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 0.04 0.96 -0.25 1.39 3.38 -0.93 0.10 115.31 120.01 1hsh h LEU 90 Ca -0.49 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1hsh h LEU 90 Cb 1.99 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1hsh h LEU 90 CO 0.01 0.70 0.15 0.71 0.09 0.00 0.00 178.44 180.10 1hsh h THR 91 N 1.14 1.08 -0.41 0.22 1.35 -1.42 -0.46 112.91 114.41 1hsh h THR 91 Ca 0.31 -0.19 0.12 0.00 -0.55 0.00 0.00 66.41 66.10 1hsh h THR 91 Cb -0.12 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1hsh h THR 91 CO -0.07 0.08 0.29 0.00 -0.25 0.00 0.00 175.52 175.57 1hsh h ALA 92 N 1.06 2.37 0.00 6.62 0.00 -1.35 0.54 119.26 128.50 1hsh h ALA 92 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1hsh h ALA 92 Cb -0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1hsh h ALA 92 CO -0.02 -0.49 -0.12 1.28 0.00 0.00 0.00 179.25 179.91 1hsh n LEU 93 N -4.42 0.43 -1.07 0.00 4.77 0.25 -4.94 117.00 112.03 1hsh n LEU 93 Ca 0.07 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1hsh n LEU 93 Cb 0.48 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1hsh n LEU 93 CO 0.36 -0.06 -0.12 0.61 -1.33 0.00 0.00 177.39 176.85 1hsh n GLY 94 N 1.41 0.07 3.84 -0.72 0.00 0.18 -5.04 105.19 104.93 1hsh n GLY 94 Ca 0.06 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.34 4.10 0.31 1.61 -1.94 -0.23 -5.03 119.30 113.78 1hsh s MET 95 Ca 0.00 0.77 0.03 0.00 -1.71 0.00 0.00 55.69 54.78 1hsh s MET 95 Cb 0.00 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.24 1hsh s MET 95 CO 0.00 0.21 0.10 -1.54 -0.01 0.00 0.00 175.02 173.78 1hsh s SER 96 N -2.08 1.91 -0.15 3.03 1.04 -1.26 -4.60 113.70 111.59 1hsh s SER 96 Ca 0.52 -1.45 -0.06 0.00 0.48 0.00 0.00 55.95 55.43 1hsh s SER 96 Cb -0.12 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 1hsh s SER 96 CO 0.18 -0.74 0.07 -0.76 0.98 0.00 0.00 173.24 172.97 1hsh s LEU 97 N -3.43 3.90 -0.12 2.42 1.43 -1.26 -5.09 118.68 116.53 1hsh s LEU 97 Ca 0.35 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1hsh s LEU 97 Cb 0.07 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1hsh s LEU 97 CO 0.15 0.26 -0.10 0.21 0.23 0.00 0.00 176.35 177.10 1hsh s ASN 98 N -0.14 4.28 0.00 2.29 2.47 -1.26 -5.29 114.94 117.29 1hsh s ASN 98 Ca 0.07 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.14 1hsh s ASN 98 Cb -0.12 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 1hsh s ASN 98 CO 0.01 0.22 0.00 -0.11 -3.72 0.00 0.00 177.10 173.50