#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1suh s TRP 2 N 0.00 2.70 -0.42 1.24 0.52 -1.26 -4.80 118.94 116.92 1suh s TRP 2 Ca 0.00 -1.16 0.05 0.00 0.02 0.00 0.00 56.10 55.01 1suh s TRP 2 Cb 0.00 -4.65 0.18 0.00 -1.15 0.00 0.00 33.47 27.85 1suh s TRP 2 CO 0.00 -1.83 0.72 0.14 0.02 0.00 0.00 176.95 176.00 1suh s VAL 3 N 4.38 -0.87 -0.41 4.03 -7.23 -1.26 -4.36 120.40 114.69 1suh s VAL 3 Ca 0.46 -0.21 0.05 0.00 -1.81 0.00 0.00 61.98 60.47 1suh s VAL 3 Cb 0.00 0.00 0.18 0.00 0.56 0.00 0.00 36.38 37.13 1suh s VAL 3 CO -0.05 0.00 0.71 -0.51 -0.31 0.00 0.00 175.10 174.94 1suh s ILE 4 N 1.63 -0.88 0.21 -0.62 1.10 -1.26 -5.04 121.20 116.34 1suh s ILE 4 Ca 0.19 -0.11 -0.08 0.00 -0.51 0.00 0.00 60.65 60.14 1suh s ILE 4 Cb -0.02 0.00 0.16 0.00 0.15 0.00 0.00 42.46 42.75 1suh s ILE 4 CO -0.08 0.00 1.81 -0.65 -2.11 0.00 0.00 174.94 173.91 1suh h PRO 5 N 6.52 1.14 -6.67 3.50 0.11 -1.92 -3.44 132.00 131.25 1suh h PRO 5 Ca 0.04 -0.16 -0.53 0.00 0.11 0.00 0.00 66.00 65.46 1suh h PRO 5 Cb 1.18 -0.21 0.05 0.00 0.11 0.00 0.00 31.00 32.13 1suh h PRO 5 CO 0.06 0.88 0.80 -2.14 -0.21 0.00 0.00 178.00 177.40 1suh s PRO 6 N -5.72 4.25 0.21 1.05 0.02 -1.26 -1.38 135.00 132.19 1suh s PRO 6 Ca -0.13 2.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.18 1suh s PRO 6 Cb 0.15 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.50 1suh s PRO 6 CO 0.82 -0.49 0.18 0.42 -0.33 0.00 0.00 177.00 177.60 1suh s ILE 7 N 0.55 0.00 0.09 2.83 -1.09 0.12 -4.94 121.20 118.77 1suh s ILE 7 Ca 0.64 -1.93 0.10 0.00 -2.23 0.00 0.00 60.65 57.23 1suh s ILE 7 Cb -0.42 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1suh s ILE 7 CO 0.37 0.00 -0.25 -0.94 -1.23 0.00 0.00 174.94 172.89 1suh s SER 8 N -3.15 3.05 -0.06 3.58 1.04 -1.26 -0.04 113.70 116.85 1suh s SER 8 Ca 0.37 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1suh s SER 8 Cb 0.06 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.99 1suh s SER 8 CO 0.13 0.18 0.07 0.00 0.98 0.00 0.00 173.24 174.59 1suh s PRO 10 N 2.17 2.64 0.37 0.00 0.04 -1.26 -2.13 135.00 136.84 1suh s PRO 10 Ca 0.05 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1suh s PRO 10 Cb -0.13 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1suh s PRO 10 CO -0.04 -1.41 -0.02 -1.83 0.04 0.00 0.00 177.00 173.75 1suh s GLU 11 N -3.91 1.95 0.00 4.56 4.04 -1.21 -3.11 118.70 121.02 1suh s GLU 11 Ca 0.71 -1.95 0.00 0.00 0.04 0.00 0.00 54.97 53.76 1suh s GLU 11 Cb -0.24 -1.75 0.00 0.00 0.02 0.00 0.00 34.13 32.16 1suh s GLU 11 CO 0.41 0.06 0.00 0.09 -1.84 0.00 0.00 175.26 173.97 1suh n ASN 12 N -0.92 0.00 -4.56 0.83 3.02 -0.33 -4.60 115.26 108.70 1suh n ASN 12 Ca -0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.11 1suh n ASN 12 Cb 0.64 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.27 1suh n ASN 12 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1suh s GLU 13 N -0.54 2.68 0.28 3.52 0.41 -1.26 -4.95 118.70 118.84 1suh s GLU 13 Ca 0.00 0.99 0.11 0.00 -0.41 0.00 0.00 54.97 55.67 1suh s GLU 13 Cb 0.00 -4.39 -0.05 0.00 -1.78 0.00 0.00 34.13 27.91 1suh s GLU 13 CO 0.00 -2.64 -0.14 -1.59 -0.49 0.00 0.00 175.26 170.39 1suh s LYS 14 N 6.99 1.85 0.00 1.61 -2.85 -1.26 -4.36 119.74 121.71 1suh s LYS 14 Ca 0.77 -1.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 1suh s LYS 14 Cb -0.16 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1suh s LYS 14 CO 0.25 0.33 0.00 0.41 0.10 0.00 0.00 175.35 176.44 1suh n GLY 15 N -0.70 0.70 3.87 0.59 0.00 -1.26 -5.08 105.19 103.31 1suh n GLY 15 Ca -0.05 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1suh n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1suh s GLU 16 N 0.00 3.69 0.07 1.61 0.41 -1.26 -5.09 118.70 118.13 1suh s GLU 16 Ca 0.00 0.10 -0.05 0.00 -0.41 0.00 0.00 54.97 54.62 1suh s GLU 16 Cb 0.00 -3.10 -0.02 0.00 -1.78 0.00 0.00 34.13 29.23 1suh s GLU 16 CO 0.00 0.65 0.08 -0.06 -0.49 0.00 0.00 175.26 175.43 1suh s PHE 17 N -1.25 0.37 0.86 1.61 0.08 -1.26 -4.46 117.98 113.93 1suh s PHE 17 Ca 0.27 -0.86 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 1suh s PHE 17 Cb -0.14 -0.24 0.11 0.00 -0.57 0.00 0.00 43.02 42.18 1suh s PHE 17 CO 0.15 -0.46 1.11 -1.25 -0.10 0.00 0.00 175.22 174.66 1suh s PRO 18 N -3.90 1.55 -0.19 0.24 0.04 -1.26 -5.13 135.00 126.35 1suh s PRO 18 Ca 0.07 0.52 -0.02 0.00 0.04 0.00 0.00 61.00 61.62 1suh s PRO 18 Cb 0.07 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1suh s PRO 18 CO -0.10 -1.97 -0.11 0.21 0.04 0.00 0.00 177.00 175.07 1suh s LYS 19 N -5.16 3.24 0.27 4.56 2.20 0.18 -4.93 119.74 120.09 1suh s LYS 19 Ca 0.62 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 1suh s LYS 19 Cb -0.15 -2.80 -0.09 0.00 -1.51 0.00 0.00 37.83 33.28 1suh s LYS 19 CO 0.54 -0.14 1.11 -0.80 -0.36 0.00 0.00 175.35 175.70 1suh s ASN 20 N 1.26 7.25 -0.00 1.43 -0.87 -1.26 -0.44 114.94 122.30 1suh s ASN 20 Ca 0.03 2.27 -0.01 0.00 -1.57 0.00 0.00 52.86 53.58 1suh s ASN 20 Cb -0.14 -2.63 -0.00 0.00 -0.02 0.00 0.00 41.25 38.46 1suh s ASN 20 CO -0.05 -0.17 -0.02 0.18 -2.57 0.00 0.00 177.10 174.47 1suh n LEU 21 N 1.31 0.21 -3.53 0.60 7.99 0.25 -4.91 117.00 118.92 1suh n LEU 21 Ca -0.01 0.03 -0.11 0.00 -0.01 0.00 0.00 56.01 55.91 1suh n LEU 21 Cb 0.45 -0.23 -0.03 0.00 -0.11 0.00 0.00 43.42 43.50 1suh n LEU 21 CO 0.54 -0.51 0.31 0.54 -1.51 0.00 0.00 177.39 176.76 1suh s VAL 22 N -1.20 0.03 0.60 4.08 0.11 -1.00 -5.00 120.40 118.02 1suh s VAL 22 Ca -0.02 -0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 58.59 1suh s VAL 22 Cb 0.00 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1suh s VAL 22 CO 0.02 -0.12 1.05 -1.58 -3.33 0.00 0.00 175.10 171.15 1suh s GLN 23 N -3.78 3.31 0.48 1.54 0.74 -1.26 -0.05 119.66 120.63 1suh s GLN 23 Ca 0.03 1.17 -0.03 0.00 0.05 0.00 0.00 55.36 56.57 1suh s GLN 23 Cb -0.00 -2.03 -0.02 0.00 1.10 0.00 0.00 33.01 32.06 1suh s GLN 23 CO -0.11 -0.82 0.75 0.42 -0.55 0.00 0.00 175.29 174.98 1suh s ILE 24 N -2.52 4.44 -0.04 -2.34 -1.09 0.13 -4.74 121.20 115.03 1suh s ILE 24 Ca 0.63 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.93 1suh s ILE 24 Cb -0.16 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 1suh s ILE 24 CO 0.38 -0.60 0.07 -0.54 -1.23 0.00 0.00 174.94 173.03 1suh s LYS 25 N -4.69 -0.00 0.00 2.79 1.02 -1.26 -4.95 119.74 112.65 1suh s LYS 25 Ca 0.48 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.74 1suh s LYS 25 Cb -0.10 -0.25 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 1suh s LYS 25 CO 0.42 -0.18 0.00 0.45 -0.92 0.00 0.00 175.35 175.12 1suh n SER 26 N 4.30 0.00 0.01 2.83 2.88 -1.26 -4.76 113.62 117.61 1suh n SER 26 Ca -0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1suh n SER 26 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1suh n SER 26 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1suh n ASN 27 N 0.00 -0.17 0.00 -3.46 4.05 -1.26 -4.52 115.26 109.90 1suh n ASN 27 Ca 0.00 0.06 0.03 0.00 0.45 0.00 0.00 54.58 55.13 1suh n ASN 27 Cb 0.00 0.37 0.19 0.00 1.23 0.00 0.00 39.78 41.57 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1suh n ARG 28 N -2.30 0.47 0.00 1.20 1.74 -1.26 -3.58 116.66 112.94 1suh n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1suh n ARG 28 Cb 0.00 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1suh n ARG 28 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1suh n ASP 29 N -0.72 0.17 -0.00 0.55 5.75 -1.26 -1.52 116.55 119.52 1suh n ASP 29 Ca 0.05 -0.51 0.06 0.00 -0.01 0.00 0.00 54.79 54.39 1suh n ASP 29 Cb 0.02 -0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 39.95 1suh n ASP 29 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1suh n LYS 30 N 0.10 2.36 -0.11 0.11 5.02 -1.23 -4.64 118.16 119.77 1suh n LYS 30 Ca 0.00 -0.01 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 1suh n LYS 30 Cb 0.04 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1suh n LYS 30 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1suh n GLU 31 N -1.39 0.54 -3.52 1.97 0.28 -0.58 -5.06 120.64 112.88 1suh n GLU 31 Ca 0.02 0.13 -0.16 0.00 -0.16 0.00 0.00 57.16 56.99 1suh n GLU 31 Cb 0.22 -1.42 -0.05 0.00 1.43 0.00 0.00 31.44 31.62 1suh n GLU 31 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1suh s THR 32 N -2.43 0.01 -0.07 3.84 -1.32 -1.25 -5.11 115.64 109.31 1suh s THR 32 Ca -0.29 -0.06 -0.39 0.00 -1.21 0.00 0.00 61.69 59.74 1suh s THR 32 Cb 0.08 -0.98 -0.17 0.00 -1.51 0.00 0.00 72.50 69.92 1suh s THR 32 CO 0.49 -0.03 1.44 1.17 -2.21 0.00 0.00 174.62 175.47 1suh n LYS 33 N 0.64 0.91 -5.18 7.08 4.81 -1.26 -4.65 118.16 120.51 1suh n LYS 33 Ca -0.19 0.33 -0.32 0.00 -0.87 0.00 0.00 58.31 57.27 1suh n LYS 33 Cb 0.59 -1.96 -0.15 0.00 0.02 0.00 0.00 35.03 33.53 1suh n LYS 33 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1suh s VAL 34 N 1.46 2.35 0.23 3.15 0.11 -1.26 -1.17 120.40 125.27 1suh s VAL 34 Ca 0.91 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1suh s VAL 34 Cb -1.07 -1.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 1suh s VAL 34 CO 0.56 0.58 0.38 -0.36 -3.33 0.00 0.00 175.10 172.93 1suh s PHE 35 N -0.58 3.47 0.25 1.54 0.40 0.14 -4.83 117.98 118.38 1suh s PHE 35 Ca 0.09 0.13 0.09 0.00 -0.60 0.00 0.00 56.93 56.63 1suh s PHE 35 Cb -0.11 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1suh s PHE 35 CO -0.00 0.39 0.07 0.71 0.70 0.00 0.00 175.22 177.09 1suh s TYR 36 N -1.97 2.85 -0.12 0.36 2.02 0.02 -1.28 117.35 119.24 1suh s TYR 36 Ca 0.36 -0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.77 1suh s TYR 36 Cb -0.10 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1suh s TYR 36 CO 0.30 0.58 0.32 0.45 -1.57 0.00 0.00 175.55 175.63 1suh s SER 37 N -3.68 -0.34 0.07 2.29 0.15 -0.63 -4.23 113.70 107.33 1suh s SER 37 Ca 0.32 0.66 0.05 0.00 0.70 0.00 0.00 55.95 57.67 1suh s SER 37 Cb -0.07 0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1suh s SER 37 CO 0.22 -0.12 -0.14 -0.51 1.20 0.00 0.00 173.24 173.89 1suh s ILE 38 N 0.30 1.10 0.16 6.45 2.07 -1.26 -0.83 121.20 129.19 1suh s ILE 38 Ca -0.01 -1.33 -0.23 0.00 -1.41 0.00 0.00 60.65 57.67 1suh s ILE 38 Cb -0.03 -1.09 0.07 0.00 0.13 0.00 0.00 42.46 41.54 1suh s ILE 38 CO -0.01 -0.25 0.60 0.28 -1.91 0.00 0.00 174.94 173.65 1suh s THR 39 N -1.36 0.00 -0.51 4.00 -1.32 0.31 -4.92 115.64 111.84 1suh s THR 39 Ca -0.01 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1suh s THR 39 Cb -0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1suh s THR 39 CO 0.02 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1suh n GLY 40 N -0.36 0.35 3.66 6.08 0.00 -1.26 -1.50 105.19 112.17 1suh n GLY 40 Ca -0.17 -2.27 -0.48 0.00 0.00 0.00 0.00 46.02 43.10 1suh n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1suh n GLN 41 N -0.11 2.00 0.00 1.61 10.64 -1.26 -0.50 117.38 129.75 1suh n GLN 41 Ca 0.00 0.72 0.00 0.00 -1.83 0.00 0.00 57.00 55.89 1suh n GLN 41 Cb 0.00 -2.49 0.00 0.00 -0.86 0.00 0.00 30.24 26.89 1suh n GLN 41 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1suh n GLY 42 N 3.56 0.15 0.66 2.61 0.00 -0.68 -4.73 105.19 106.76 1suh n GLY 42 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1suh n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1suh n ALA 43 N -1.86 2.57 -0.02 4.61 0.00 0.34 0.61 120.51 126.77 1suh n ALA 43 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1suh n ALA 43 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1suh n ALA 43 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1suh n ASP 44 N -1.86 1.99 -4.77 0.00 5.75 -0.90 -1.59 116.55 115.17 1suh n ASP 44 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 1suh n ASP 44 Cb 0.00 1.42 -0.07 0.00 -1.03 0.00 0.00 41.12 41.44 1suh n ASP 44 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1suh s LYS 45 N -2.78 3.98 0.11 0.11 2.20 -1.05 -4.74 119.74 117.57 1suh s LYS 45 Ca -0.05 -0.16 -0.36 0.00 -0.36 0.00 0.00 55.97 55.05 1suh s LYS 45 Cb 0.07 -3.35 -0.16 0.00 -1.51 0.00 0.00 37.83 32.88 1suh s LYS 45 CO 0.54 0.44 1.30 -2.30 -0.36 0.00 0.00 175.35 174.97 1suh n PRO 46 N 3.05 1.18 -2.09 4.03 -0.02 -1.26 -1.69 135.00 138.20 1suh n PRO 46 Ca -0.17 0.42 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 1suh n PRO 46 Cb 0.53 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1suh n PRO 46 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1suh s PRO 47 N 0.28 3.98 0.23 0.52 0.04 -1.26 -4.64 135.00 134.15 1suh s PRO 47 Ca 0.82 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 63.45 1suh s PRO 47 Cb -0.92 -3.99 -0.09 0.00 0.04 0.00 0.00 34.50 29.54 1suh s PRO 47 CO 0.48 -1.07 0.89 0.54 0.04 0.00 0.00 177.00 177.88 1suh s VAL 48 N 4.62 4.19 -0.06 -0.36 0.11 -1.18 -1.80 120.40 125.92 1suh s VAL 48 Ca 0.71 1.92 -0.02 0.00 -2.93 0.00 0.00 61.98 61.66 1suh s VAL 48 Cb -0.28 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.36 1suh s VAL 48 CO 0.28 0.44 0.08 0.61 -3.33 0.00 0.00 175.10 173.18 1suh n GLY 49 N 1.35 -0.73 0.62 6.54 0.00 -0.62 -4.89 105.19 107.46 1suh n GLY 49 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1suh n GLY 49 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1suh n VAL 50 N -0.55 0.00 -4.40 1.61 0.31 0.20 -4.57 118.33 110.93 1suh n VAL 50 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 1suh n VAL 50 Cb 0.12 -0.13 -0.12 0.00 -0.91 0.00 0.00 33.84 32.80 1suh n VAL 50 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1suh s PHE 51 N -1.31 2.43 0.01 3.52 0.40 -0.18 -0.33 117.98 122.52 1suh s PHE 51 Ca 0.00 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1suh s PHE 51 Cb 0.00 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1suh s PHE 51 CO 0.00 0.34 -0.01 0.96 0.70 0.00 0.00 175.22 177.21 1suh s ILE 52 N -1.07 0.04 -0.02 0.64 -4.36 0.62 -4.75 121.20 112.30 1suh s ILE 52 Ca 0.16 -0.32 0.05 0.00 -0.26 0.00 0.00 60.65 60.28 1suh s ILE 52 Cb -0.10 -0.10 -0.01 0.00 1.25 0.00 0.00 42.46 43.49 1suh s ILE 52 CO 0.08 -0.17 -0.17 0.27 0.24 0.00 0.00 174.94 175.19 1suh s ILE 53 N -0.51 1.31 -0.60 8.37 -5.25 -1.26 -0.78 121.20 122.48 1suh s ILE 53 Ca -0.06 -0.70 -0.27 0.00 -0.99 0.00 0.00 60.65 58.63 1suh s ILE 53 Cb -0.04 -1.09 0.01 0.00 2.95 0.00 0.00 42.46 44.29 1suh s ILE 53 CO -0.00 0.37 1.51 -1.61 -1.79 0.00 0.00 174.94 173.42 1suh s GLU 54 N -0.35 3.12 0.57 0.37 0.41 -0.55 -4.83 118.70 117.44 1suh s GLU 54 Ca 0.06 0.39 0.35 0.00 -0.41 0.00 0.00 54.97 55.36 1suh s GLU 54 Cb -0.07 -4.20 1.42 0.00 -1.78 0.00 0.00 34.13 29.51 1suh s GLU 54 CO -0.00 -2.16 1.67 -0.09 -0.49 0.00 0.00 175.26 174.18 1suh h ARG 55 N 11.84 0.00 0.00 1.61 2.43 -1.92 1.58 114.38 129.92 1suh h ARG 55 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1suh h ARG 55 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1suh h ARG 55 CO 1.20 0.00 -0.15 0.93 -1.51 0.00 0.00 179.97 180.44 1suh h GLU 56 N 0.00 0.00 0.04 0.20 4.39 -1.88 0.10 114.58 117.44 1suh h GLU 56 Ca 0.53 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 60.00 1suh h GLU 56 Cb 2.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.07 1suh h GLU 56 CO -0.01 0.00 -1.06 1.79 -1.16 0.00 0.00 179.01 178.57 1suh h THR 57 N -0.31 1.62 0.00 1.13 1.35 -1.88 -3.44 112.91 111.38 1suh h THR 57 Ca 0.00 -3.21 0.00 0.00 -0.55 0.00 0.00 66.41 62.65 1suh h THR 57 Cb 0.15 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1suh h THR 57 CO 0.00 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1suh n GLY 58 N 1.34 0.75 3.67 5.82 0.00 0.54 -4.67 105.19 112.64 1suh n GLY 58 Ca -0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1suh n GLY 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1suh s TRP 59 N -2.00 2.09 -0.37 1.61 0.52 -1.26 0.20 118.94 119.73 1suh s TRP 59 Ca 0.00 0.21 -0.21 0.00 0.02 0.00 0.00 56.10 56.12 1suh s TRP 59 Cb 0.00 -3.94 0.01 0.00 -1.15 0.00 0.00 33.47 28.39 1suh s TRP 59 CO 0.00 -3.90 0.67 -1.17 0.02 0.00 0.00 176.95 172.57 1suh s LEU 60 N 3.62 4.25 0.16 2.99 0.20 0.92 -1.48 118.68 129.35 1suh s LEU 60 Ca 0.74 0.14 0.07 0.00 0.69 0.00 0.00 54.13 55.77 1suh s LEU 60 Cb -0.35 -2.83 -0.04 0.00 -0.43 0.00 0.00 46.19 42.53 1suh s LEU 60 CO 0.31 -0.64 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.03 1suh s LYS 61 N 2.81 1.19 -0.04 1.98 1.02 0.04 -0.59 119.74 126.15 1suh s LYS 61 Ca 0.26 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.89 1suh s LYS 61 Cb -0.14 -1.11 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 1suh s LYS 61 CO 0.16 0.21 -0.12 0.14 -0.92 0.00 0.00 175.35 174.81 1suh s VAL 62 N -2.31 3.22 -0.18 3.17 -7.23 0.41 -0.28 120.40 117.20 1suh s VAL 62 Ca 0.15 -0.70 0.17 0.00 -1.81 0.00 0.00 61.98 59.78 1suh s VAL 62 Cb -0.04 -2.29 -0.25 0.00 0.56 0.00 0.00 36.38 34.36 1suh s VAL 62 CO 0.05 0.56 0.14 0.35 -0.31 0.00 0.00 175.10 175.90 1suh n THR 63 N 2.19 1.42 -5.12 5.32 -2.24 0.55 -0.65 114.28 115.75 1suh n THR 63 Ca -0.17 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 1suh n THR 63 Cb 0.52 -0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 68.04 1suh n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1suh s GLN 64 N -2.50 2.15 0.98 -0.78 -0.21 -1.19 -4.87 119.66 113.24 1suh s GLN 64 Ca -0.10 -0.80 -0.11 0.00 0.02 0.00 0.00 55.36 54.37 1suh s GLN 64 Cb 0.06 -1.90 0.18 0.00 1.00 0.00 0.00 33.01 32.36 1suh s GLN 64 CO 0.83 0.38 1.12 -1.25 -2.12 0.00 0.00 175.29 174.24 1suh s PRO 65 N -0.22 0.48 0.40 2.91 0.04 -1.26 -4.92 135.00 132.44 1suh s PRO 65 Ca -0.00 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.52 1suh s PRO 65 Cb -0.12 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1suh s PRO 65 CO 0.02 -2.95 0.36 -0.51 0.04 0.00 0.00 177.00 173.96 1suh s LEU 66 N -6.79 3.42 -0.28 -3.56 1.02 -1.18 -4.84 118.68 106.46 1suh s LEU 66 Ca 0.67 -0.71 -0.04 0.00 0.02 0.00 0.00 54.13 54.07 1suh s LEU 66 Cb -0.24 -2.07 0.10 0.00 0.02 0.00 0.00 46.19 44.00 1suh s LEU 66 CO 0.60 -0.61 0.12 -0.62 0.02 0.00 0.00 176.35 175.86 1suh s ASP 67 N -4.11 3.48 0.52 2.29 2.15 -1.26 -1.19 116.67 118.56 1suh s ASP 67 Ca 0.47 -1.26 0.24 0.00 0.43 0.00 0.00 52.55 52.43 1suh s ASP 67 Cb -0.03 -0.39 1.37 0.00 -0.30 0.00 0.00 42.92 43.56 1suh s ASP 67 CO 0.28 -0.43 1.99 -0.09 -0.17 0.00 0.00 175.17 176.75 1suh h ARG 68 N 8.38 0.03 -0.63 4.34 2.43 -1.93 0.29 114.38 127.29 1suh h ARG 68 Ca -0.19 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1suh h ARG 68 Cb 1.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1suh h ARG 68 CO 0.43 0.02 0.42 0.93 -1.51 0.00 0.00 179.97 180.26 1suh h GLU 69 N 0.03 0.35 0.00 0.20 4.39 -2.00 -3.28 114.58 114.27 1suh h GLU 69 Ca 0.25 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.83 1suh h GLU 69 Cb 0.97 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1suh h GLU 69 CO -0.01 0.23 -1.18 0.00 -1.16 0.00 0.00 179.01 176.89 1suh n ALA 70 N -2.53 1.40 -3.83 3.43 0.00 0.35 -4.93 120.51 114.40 1suh n ALA 70 Ca 0.11 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1suh n ALA 70 Cb 0.44 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 1suh n ALA 70 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1suh s ILE 71 N -2.63 2.63 -1.13 0.00 -1.09 0.76 -4.94 121.20 114.80 1suh s ILE 71 Ca -0.25 -1.45 0.26 0.00 -2.23 0.00 0.00 60.65 56.98 1suh s ILE 71 Cb 0.06 -2.50 0.07 0.00 -1.58 0.00 0.00 42.46 38.50 1suh s ILE 71 CO 0.35 -0.04 1.48 0.00 -1.23 0.00 0.00 174.94 175.51 1suh n ALA 72 N 4.55 3.38 -3.64 9.38 0.00 -1.24 -3.50 120.51 129.44 1suh n ALA 72 Ca -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1suh n ALA 72 Cb 0.43 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 1suh n ALA 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1suh s LYS 73 N -2.91 0.61 0.00 0.00 2.20 -1.26 -0.56 119.74 117.83 1suh s LYS 73 Ca 0.14 1.37 -0.03 0.00 -0.36 0.00 0.00 55.97 57.09 1suh s LYS 73 Cb 0.18 0.64 -0.04 0.00 -1.51 0.00 0.00 37.83 37.10 1suh s LYS 73 CO 0.66 -0.18 0.20 0.71 -0.36 0.00 0.00 175.35 176.37 1suh s TYR 74 N 2.50 3.55 -0.25 4.03 1.51 0.21 -4.93 117.35 123.97 1suh s TYR 74 Ca -0.07 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1suh s TYR 74 Cb -0.10 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1suh s TYR 74 CO -0.19 0.63 -0.11 0.42 -1.11 0.00 0.00 175.55 175.19 1suh s ILE 75 N -1.35 2.07 0.27 2.71 1.01 -1.26 -0.34 121.20 124.31 1suh s ILE 75 Ca 0.29 -1.53 0.07 0.00 0.00 0.00 0.00 60.65 59.48 1suh s ILE 75 Cb -0.13 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1suh s ILE 75 CO 0.20 0.00 0.20 -0.76 0.00 0.00 0.00 174.94 174.58 1suh s LEU 76 N 1.16 3.70 -0.01 2.97 2.01 0.43 -4.31 118.68 124.63 1suh s LEU 76 Ca -0.08 -0.35 0.05 0.00 0.01 0.00 0.00 54.13 53.76 1suh s LEU 76 Cb -0.19 -2.24 -0.01 0.00 0.01 0.00 0.00 46.19 43.75 1suh s LEU 76 CO -0.06 -0.11 -0.17 -0.31 1.01 0.00 0.00 176.35 176.72 1suh s TYR 77 N -2.20 1.49 0.13 0.29 1.51 -0.56 0.11 117.35 118.12 1suh s TYR 77 Ca 0.35 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1suh s TYR 77 Cb -0.07 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1suh s TYR 77 CO 0.25 -0.01 -0.09 -1.54 -1.11 0.00 0.00 175.55 173.05 1suh s SER 78 N -0.49 1.53 -0.02 2.29 1.04 0.19 -0.53 113.70 117.72 1suh s SER 78 Ca 0.06 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.51 1suh s SER 78 Cb -0.07 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1suh s SER 78 CO -0.00 -0.39 -0.09 -1.00 0.98 0.00 0.00 173.24 172.74 1suh s HIS 79 N -3.45 0.95 -0.05 5.02 3.76 -0.01 -3.10 115.29 118.42 1suh s HIS 79 Ca 0.15 -0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 54.80 1suh s HIS 79 Cb 0.04 -0.67 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1suh s HIS 79 CO -0.02 -0.09 0.10 0.00 -0.85 0.00 0.00 174.74 173.88 1suh s ALA 80 N 0.15 3.66 -0.03 -1.40 0.00 -1.26 -1.61 121.76 121.27 1suh s ALA 80 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1suh s ALA 80 Cb -0.08 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.36 1suh s ALA 80 CO 0.00 0.67 0.00 0.14 0.00 0.00 0.00 175.76 176.57 1suh s VAL 81 N -1.12 0.17 0.07 0.00 -7.23 -0.40 0.30 120.40 112.19 1suh s VAL 81 Ca 0.20 0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 60.16 1suh s VAL 81 Cb -0.12 -0.27 -0.09 0.00 0.56 0.00 0.00 36.38 36.46 1suh s VAL 81 CO 0.10 0.15 1.73 -0.94 -0.31 0.00 0.00 175.10 175.83 1suh s SER 82 N 1.08 6.55 0.00 4.85 1.04 0.45 0.26 113.70 127.94 1suh s SER 82 Ca -0.09 2.55 0.00 0.00 0.48 0.00 0.00 55.95 58.89 1suh s SER 82 Cb -0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1suh s SER 82 CO -0.02 -0.94 0.33 -1.54 0.98 0.00 0.00 173.24 172.05 1suh n SER 83 N 5.93 0.00 0.01 7.02 3.41 -0.31 -0.62 113.62 129.05 1suh n SER 83 Ca 0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 1suh n SER 83 Cb 0.40 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.22 1suh n SER 83 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1suh h ASN 84 N 0.00 0.06 0.00 4.04 -0.00 -1.86 -3.48 115.58 114.34 1suh h ASN 84 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1suh h ASN 84 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.30 1suh h ASN 84 CO 0.00 1.09 0.00 0.61 -0.00 0.00 0.00 177.43 179.13 1suh n GLY 85 N 1.54 0.36 3.18 9.14 0.00 0.21 -5.14 105.19 114.48 1suh n GLY 85 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1suh n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1suh s GLU 86 N 0.00 2.58 -0.09 1.61 0.41 -1.21 -5.00 118.70 116.99 1suh s GLU 86 Ca 0.00 -0.76 -0.30 0.00 -0.41 0.00 0.00 54.97 53.51 1suh s GLU 86 Cb 0.00 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.29 1suh s GLU 86 CO 0.00 0.18 1.47 0.00 -0.49 0.00 0.00 175.26 176.42 1suh s ALA 87 N 0.32 3.63 -0.16 5.21 0.00 -1.26 -0.41 121.76 129.09 1suh s ALA 87 Ca -0.15 0.74 0.16 0.00 0.00 0.00 0.00 51.96 52.71 1suh s ALA 87 Cb -0.16 -3.68 0.43 0.00 0.00 0.00 0.00 23.12 19.71 1suh s ALA 87 CO 0.07 -1.24 1.20 1.33 0.00 0.00 0.00 175.76 177.11 1suh n VAL 88 N 5.33 1.55 -1.90 0.00 0.24 -0.71 -4.85 118.33 117.98 1suh n VAL 88 Ca 0.15 -2.66 -0.29 0.00 -2.04 0.00 0.00 64.34 59.50 1suh n VAL 88 Cb 0.44 0.11 0.07 0.00 -1.47 0.00 0.00 33.84 32.99 1suh n VAL 88 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1suh s GLU 89 N -2.35 2.28 -0.11 7.34 -1.05 0.87 -4.42 118.70 121.26 1suh s GLU 89 Ca 0.37 0.22 -0.23 0.00 -0.15 0.00 0.00 54.97 55.19 1suh s GLU 89 Cb 0.38 -1.98 0.05 0.00 -0.44 0.00 0.00 34.13 32.14 1suh s GLU 89 CO -0.09 -1.40 0.55 -0.51 0.95 0.00 0.00 175.26 174.77 1suh s ASP 90 N -4.50 -0.53 -0.83 0.83 1.11 -1.26 -4.76 116.67 106.73 1suh s ASP 90 Ca 0.61 0.76 -0.20 0.00 0.18 0.00 0.00 52.55 53.90 1suh s ASP 90 Cb -0.11 0.76 -0.19 0.00 1.07 0.00 0.00 42.92 44.44 1suh s ASP 90 CO 0.50 -0.40 2.20 -2.65 1.18 0.00 0.00 175.17 176.00 1suh n PRO 91 N 1.78 0.31 -3.61 8.23 -0.01 -1.26 -4.61 135.00 135.83 1suh n PRO 91 Ca -0.17 -0.72 -0.40 0.00 -0.01 0.00 0.00 63.50 62.19 1suh n PRO 91 Cb 0.56 -2.89 -0.11 0.00 -0.01 0.00 0.00 33.50 31.05 1suh n PRO 91 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 175.50 173.85 1suh s MET 92 N 8.12 2.77 -0.41 -0.52 -1.94 -1.18 -5.01 119.30 121.13 1suh s MET 92 Ca 0.94 -1.14 -0.18 0.00 -1.71 0.00 0.00 55.69 53.60 1suh s MET 92 Cb -0.28 -3.71 0.02 0.00 2.01 0.00 0.00 34.83 32.87 1suh s MET 92 CO 0.21 -0.73 0.51 -1.83 -0.01 0.00 0.00 175.02 173.17 1suh s GLU 93 N 1.52 3.24 -0.05 2.03 -1.05 -1.26 -0.64 118.70 122.49 1suh s GLU 93 Ca 0.01 -0.55 -0.21 0.00 -0.15 0.00 0.00 54.97 54.08 1suh s GLU 93 Cb -0.20 -3.94 -0.04 0.00 -0.44 0.00 0.00 34.13 29.51 1suh s GLU 93 CO 0.06 -0.87 0.61 0.42 0.95 0.00 0.00 175.26 176.43 1suh s ILE 94 N 2.39 5.02 -0.14 1.83 1.01 0.31 -4.91 121.20 126.71 1suh s ILE 94 Ca 0.16 1.26 -0.07 0.00 0.00 0.00 0.00 60.65 62.00 1suh s ILE 94 Cb -0.16 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1suh s ILE 94 CO 0.15 0.33 0.09 -0.69 0.00 0.00 0.00 174.94 174.83 1suh s VAL 95 N 0.36 5.08 -0.15 2.92 1.01 -0.48 -0.43 120.40 128.72 1suh s VAL 95 Ca 0.32 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 1suh s VAL 95 Cb -0.17 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1suh s VAL 95 CO 0.16 0.54 0.01 -0.63 0.00 0.00 0.00 175.10 175.19 1suh s ILE 96 N -0.39 0.53 0.17 2.22 1.01 0.54 0.13 121.20 125.41 1suh s ILE 96 Ca 0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 1suh s ILE 96 Cb -0.12 -0.88 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 1suh s ILE 96 CO 0.02 -0.01 0.54 0.28 0.00 0.00 0.00 174.94 175.77 1suh s THR 97 N 1.88 4.89 0.15 2.92 -1.32 0.94 0.64 115.64 125.73 1suh s THR 97 Ca 0.01 0.69 -0.06 0.00 -1.21 0.00 0.00 61.69 61.12 1suh s THR 97 Cb -0.15 -3.69 -0.06 0.00 -1.51 0.00 0.00 72.50 67.09 1suh s THR 97 CO -0.07 0.14 0.40 -0.69 -2.21 0.00 0.00 174.62 172.18 1suh s VAL 98 N -1.59 5.13 -0.06 5.08 1.01 0.28 -0.12 120.40 130.14 1suh s VAL 98 Ca 0.41 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1suh s VAL 98 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1suh s VAL 98 CO 0.20 0.05 -0.16 0.42 0.00 0.00 0.00 175.10 175.60 1suh s THR 99 N -1.66 1.40 1.07 3.92 -4.23 -0.90 -4.87 115.64 110.37 1suh s THR 99 Ca 0.41 -0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 60.09 1suh s THR 99 Cb -0.12 -1.23 0.09 0.00 1.34 0.00 0.00 72.50 72.59 1suh s THR 99 CO 0.24 0.41 0.21 0.47 -0.54 0.00 0.00 174.62 175.41 1suh n ASP 100 N 3.43 -2.20 -0.73 3.99 8.00 -1.26 -3.28 116.55 124.50 1suh n ASP 100 Ca -0.20 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1suh n ASP 100 Cb 0.53 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1suh n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1suh n GLN 101 N -2.15 0.00 0.00 -1.24 1.13 -1.26 -4.72 117.38 109.14 1suh n GLN 101 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1suh n GLN 101 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 1suh n GLN 101 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1suh n ASN 102 N -1.84 0.00 -3.65 1.08 5.15 -1.26 -5.10 115.26 109.64 1suh n ASN 102 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1suh n ASN 102 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1suh n ASN 102 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1suh s ASP 103 N 1.44 -0.20 0.00 1.20 -1.08 -1.26 -4.96 116.67 111.81 1suh s ASP 103 Ca 0.00 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1suh s ASP 103 Cb 0.00 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 1suh s ASP 103 CO 0.00 -0.06 0.29 -0.46 0.52 0.00 0.00 175.17 175.46