#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 2.22 -0.41 2.11 0.51 -1.26 -4.89 118.94 117.22 1suh s TRP 2 Ca 0.00 0.05 0.05 0.00 -2.12 0.00 0.00 56.10 54.08 1suh s TRP 2 Cb 0.00 -4.57 0.17 0.00 -0.81 0.00 0.00 33.47 28.26 1suh s TRP 2 CO 0.00 -2.09 0.47 0.08 -0.51 0.00 0.00 176.95 174.90 1suh s VAL 3 N 6.08 -0.44 -0.41 4.03 1.01 -1.26 -4.19 120.40 125.22 1suh s VAL 3 Ca 0.39 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1suh s VAL 3 Cb -0.08 -0.54 0.18 0.00 0.00 0.00 0.00 36.38 35.94 1suh s VAL 3 CO 0.16 -0.50 0.71 -0.51 0.00 0.00 0.00 175.10 174.96 1suh s ILE 4 N 1.16 -0.87 0.20 2.22 1.10 -1.26 -5.04 121.20 118.72 1suh s ILE 4 Ca 0.22 -0.13 -0.10 0.00 -0.51 0.00 0.00 60.65 60.12 1suh s ILE 4 Cb -0.08 0.00 0.14 0.00 0.15 0.00 0.00 42.46 42.67 1suh s ILE 4 CO -0.06 0.00 1.85 -0.65 -2.11 0.00 0.00 174.94 173.97 1suh h PRO 5 N 6.45 0.99 -6.77 3.50 0.11 -1.93 -3.43 132.00 130.92 1suh h PRO 5 Ca 0.04 -0.08 -0.52 0.00 0.11 0.00 0.00 66.00 65.55 1suh h PRO 5 Cb 1.18 -0.21 0.04 0.00 0.11 0.00 0.00 31.00 32.11 1suh h PRO 5 CO 0.06 0.69 0.59 -1.25 -0.21 0.00 0.00 178.00 177.87 1suh s PRO 6 N -6.01 4.46 0.24 1.05 0.05 -1.26 -2.05 135.00 131.48 1suh s PRO 6 Ca -0.13 2.01 -0.02 0.00 0.05 0.00 0.00 61.00 62.91 1suh s PRO 6 Cb 0.15 -3.16 -0.03 0.00 0.05 0.00 0.00 34.50 31.50 1suh s PRO 6 CO 0.78 -0.08 0.24 0.42 0.05 0.00 0.00 177.00 178.41 1suh s ILE 7 N -0.62 0.00 0.03 0.56 -1.09 0.42 -4.92 121.20 115.57 1suh s ILE 7 Ca 0.50 -1.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.08 1suh s ILE 7 Cb -0.36 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1suh s ILE 7 CO 0.43 0.00 -0.07 -0.94 -1.23 0.00 0.00 174.94 173.13 1suh s SER 8 N -3.17 0.74 -0.03 3.58 1.04 -1.26 -0.41 113.70 114.19 1suh s SER 8 Ca 0.36 -0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.33 1suh s SER 8 Cb 0.04 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.21 1suh s SER 8 CO 0.14 -0.16 0.03 0.00 0.98 0.00 0.00 173.24 174.23 1suh s PRO 10 N 1.36 2.99 0.04 0.00 0.04 -1.26 -2.87 135.00 135.29 1suh s PRO 10 Ca -0.05 1.95 0.01 0.00 0.04 0.00 0.00 61.00 62.95 1suh s PRO 10 Cb -0.13 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1suh s PRO 10 CO -0.03 -1.22 0.10 -2.00 0.04 0.00 0.00 177.00 173.89 1suh s GLU 11 N -3.20 3.06 -0.97 4.56 2.12 -1.12 -3.16 118.70 119.99 1suh s GLU 11 Ca 0.76 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1suh s GLU 11 Cb -0.34 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1suh s GLU 11 CO 0.37 0.61 0.00 0.09 -0.54 0.00 0.00 175.26 175.79 1suh n ASN 12 N 0.76 -3.34 -4.33 -1.70 3.02 -1.11 -4.57 115.26 103.99 1suh n ASN 12 Ca -0.10 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 1suh n ASN 12 Cb 0.52 -2.94 -0.00 0.00 -0.61 0.00 0.00 39.78 36.75 1suh n ASN 12 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1suh n GLU 13 N -2.50 0.11 -2.79 3.52 4.07 -1.26 -4.81 120.64 116.97 1suh n GLU 13 Ca -0.12 0.04 -0.20 0.00 -0.06 0.00 0.00 57.16 56.82 1suh n GLU 13 Cb 0.54 -1.10 0.03 0.00 -0.06 0.00 0.00 31.44 30.85 1suh n GLU 13 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1suh s LYS 14 N -1.12 2.58 0.00 5.31 0.00 -1.26 -4.92 119.74 120.32 1suh s LYS 14 Ca 0.60 -1.02 0.00 0.00 0.00 0.00 0.00 55.97 55.55 1suh s LYS 14 Cb -0.64 -2.58 0.00 0.00 0.00 0.00 0.00 37.83 34.60 1suh s LYS 14 CO 0.61 -0.61 0.00 0.41 0.00 0.00 0.00 175.35 175.76 1suh n GLY 15 N -2.19 -0.17 3.27 0.59 0.00 -1.26 -5.00 105.19 100.43 1suh n GLY 15 Ca 0.09 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1suh n GLY 15 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1suh s GLU 16 N 0.00 1.22 0.11 1.61 2.12 -1.26 -5.15 118.70 117.35 1suh s GLU 16 Ca 0.00 -1.08 0.03 0.00 0.36 0.00 0.00 54.97 54.28 1suh s GLU 16 Cb 0.00 -1.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.92 1suh s GLU 16 CO 0.00 0.34 0.16 -0.06 -0.54 0.00 0.00 175.26 175.16 1suh s PHE 17 N -1.03 3.29 0.59 5.30 0.40 -1.26 -3.89 117.98 121.39 1suh s PHE 17 Ca 0.07 0.09 -0.17 0.00 -0.60 0.00 0.00 56.93 56.32 1suh s PHE 17 Cb -0.10 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1suh s PHE 17 CO 0.03 0.53 1.10 -1.25 0.70 0.00 0.00 175.22 176.33 1suh s PRO 18 N -2.77 3.17 0.01 0.24 0.04 -1.26 -5.08 135.00 129.35 1suh s PRO 18 Ca 0.32 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1suh s PRO 18 Cb -0.12 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1suh s PRO 18 CO 0.25 -0.96 -0.05 0.21 0.04 0.00 0.00 177.00 176.49 1suh s LYS 19 N -3.76 0.38 0.65 4.56 2.20 -0.37 -4.97 119.74 118.43 1suh s LYS 19 Ca 0.68 -0.27 -0.13 0.00 -0.36 0.00 0.00 55.97 55.89 1suh s LYS 19 Cb -0.20 -0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 35.80 1suh s LYS 19 CO 0.34 0.08 1.06 -0.80 -0.36 0.00 0.00 175.35 175.67 1suh s ASN 20 N -0.40 5.52 0.08 1.43 -0.87 -1.26 -0.91 114.94 118.52 1suh s ASN 20 Ca -0.01 1.71 0.00 0.00 -1.57 0.00 0.00 52.86 52.99 1suh s ASN 20 Cb -0.03 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1suh s ASN 20 CO -0.00 -1.35 0.00 0.18 -2.57 0.00 0.00 177.10 173.36 1suh n LEU 21 N -2.67 0.09 -3.74 0.60 4.77 0.30 -4.84 117.00 111.50 1suh n LEU 21 Ca 0.08 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1suh n LEU 21 Cb 0.53 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1suh n LEU 21 CO 0.52 -0.60 0.05 0.54 -1.33 0.00 0.00 177.39 176.57 1suh s VAL 22 N -1.33 0.10 0.70 4.08 0.11 -0.95 -5.00 120.40 118.11 1suh s VAL 22 Ca 0.00 -0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 58.08 1suh s VAL 22 Cb 0.00 -1.27 0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1suh s VAL 22 CO 0.00 -0.46 1.07 -1.58 -3.33 0.00 0.00 175.10 170.80 1suh s GLN 23 N -3.84 2.67 0.18 1.54 0.74 -1.26 0.70 119.66 120.39 1suh s GLN 23 Ca 0.04 0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.77 1suh s GLN 23 Cb 0.03 -2.07 -0.04 0.00 1.10 0.00 0.00 33.01 32.04 1suh s GLN 23 CO -0.11 -1.08 0.15 0.42 -0.55 0.00 0.00 175.29 174.12 1suh s ILE 24 N -3.32 4.48 -0.05 -2.34 -1.09 0.15 -4.70 121.20 114.33 1suh s ILE 24 Ca 0.58 -1.15 -0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1suh s ILE 24 Cb -0.11 -3.31 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1suh s ILE 24 CO 0.49 -0.16 0.09 -0.54 -1.23 0.00 0.00 174.94 173.60 1suh s LYS 25 N -3.25 0.00 0.00 2.79 1.02 -1.26 -4.95 119.74 114.09 1suh s LYS 25 Ca 0.31 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1suh s LYS 25 Cb -0.10 -0.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1suh s LYS 25 CO 0.24 -0.23 0.00 0.45 -0.92 0.00 0.00 175.35 174.89 1suh n SER 26 N 4.63 0.00 0.04 2.83 2.88 -1.26 -4.80 113.62 117.95 1suh n SER 26 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 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 0.59 -1.23 0.00 0.00 175.04 174.40 1suh n ASN 27 N 0.00 -0.65 0.17 -3.46 5.03 -1.26 -4.21 115.26 110.88 1suh n ASN 27 Ca 0.00 0.17 0.05 0.00 0.87 0.00 0.00 54.58 55.66 1suh n ASN 27 Cb 0.00 0.91 0.25 0.00 -1.02 0.00 0.00 39.78 39.91 1suh n ASN 27 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1suh h ARG 28 N 0.00 0.00 0.00 3.52 2.47 -1.92 -0.89 114.38 117.56 1suh h ARG 28 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1suh h ARG 28 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1suh h ARG 28 CO 0.00 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.13 1suh n ASP 29 N -1.99 0.00 -0.35 7.04 5.75 -1.26 -1.28 116.55 124.47 1suh n ASP 29 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.91 1suh n ASP 29 Cb 0.48 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.09 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 -0.58 1.28 0.00 0.11 5.02 -0.34 -4.34 118.16 119.31 1suh n LYS 30 Ca 0.00 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 1suh n LYS 30 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 -0.25 0.16 -3.43 1.97 0.28 -0.40 -5.12 120.64 113.85 1suh n GLU 31 Ca 0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.05 1suh n GLU 31 Cb 0.33 -0.96 -0.02 0.00 1.43 0.00 0.00 31.44 32.22 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 -1.93 0.00 -0.24 3.84 -1.32 -1.25 -5.10 115.64 109.65 1suh s THR 32 Ca 0.00 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 60.12 1suh s THR 32 Cb 0.00 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1suh s THR 32 CO 0.00 0.00 1.96 1.17 -2.21 0.00 0.00 174.62 175.54 1suh n LYS 33 N -0.32 1.52 -4.22 7.08 4.81 -1.26 -4.57 118.16 121.20 1suh n LYS 33 Ca -0.16 0.51 -0.33 0.00 -0.87 0.00 0.00 58.31 57.47 1suh n LYS 33 Cb 0.64 -2.46 -0.08 0.00 0.02 0.00 0.00 35.03 33.15 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 5.20 4.36 0.28 3.15 0.11 -1.26 -1.05 120.40 131.18 1suh s VAL 34 Ca 1.00 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 1suh s VAL 34 Cb -0.84 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 1suh s VAL 34 CO 0.54 0.37 0.42 -0.36 -3.33 0.00 0.00 175.10 172.75 1suh s PHE 35 N -1.12 3.43 0.47 1.54 0.40 0.15 -4.82 117.98 118.03 1suh s PHE 35 Ca 0.21 0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.65 1suh s PHE 35 Cb -0.12 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1suh s PHE 35 CO 0.11 0.30 0.14 0.71 0.70 0.00 0.00 175.22 177.18 1suh s TYR 36 N -2.09 2.17 -0.12 0.36 1.51 0.12 -1.34 117.35 117.95 1suh s TYR 36 Ca 0.37 -0.77 -0.29 0.00 -1.01 0.00 0.00 57.07 55.37 1suh s TYR 36 Cb -0.09 -1.81 0.07 0.00 -0.11 0.00 0.00 41.96 40.02 1suh s TYR 36 CO 0.31 0.12 0.71 0.45 -1.11 0.00 0.00 175.55 176.03 1suh s SER 37 N -3.94 -0.67 0.07 2.29 0.15 -0.30 -4.15 113.70 107.15 1suh s SER 37 Ca 0.27 0.90 0.05 0.00 0.70 0.00 0.00 55.95 57.87 1suh s SER 37 Cb 0.03 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 65.10 1suh s SER 37 CO 0.15 -0.49 -0.13 -0.51 1.20 0.00 0.00 173.24 173.46 1suh s ILE 38 N -0.73 0.99 0.13 6.45 -1.16 -1.26 -1.05 121.20 124.57 1suh s ILE 38 Ca -0.07 -1.27 -0.23 0.00 -0.51 0.00 0.00 60.65 58.57 1suh s ILE 38 Cb -0.01 -0.98 0.06 0.00 0.61 0.00 0.00 42.46 42.14 1suh s ILE 38 CO 0.07 -0.26 0.58 0.28 -2.81 0.00 0.00 174.94 172.79 1suh s THR 39 N -1.32 0.01 0.00 4.00 -1.32 0.05 -4.89 115.64 112.17 1suh s THR 39 Ca -0.04 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1suh s THR 39 Cb -0.10 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1suh s THR 39 CO 0.02 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1suh n GLY 40 N -0.20 -0.08 3.50 6.08 0.00 -1.26 -1.08 105.19 112.14 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 0.00 1.41 0.00 1.61 10.64 -1.26 -0.98 117.38 128.79 1suh n GLN 41 Ca 0.00 0.38 0.00 0.00 -1.83 0.00 0.00 57.00 55.55 1suh n GLN 41 Cb 0.00 -2.75 0.00 0.00 -0.86 0.00 0.00 30.24 26.63 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 6.26 1.60 1.41 2.61 0.00 0.10 -4.74 105.19 112.43 1suh n GLY 42 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 3.00 -0.09 4.61 0.00 -0.16 0.42 120.51 128.29 1suh n ALA 43 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1suh n ALA 43 Cb 0.00 0.04 -0.13 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 -2.76 0.83 -4.90 0.00 5.75 -1.07 -1.56 116.55 112.83 1suh n ASP 44 Ca 0.00 -0.01 -0.33 0.00 -0.01 0.00 0.00 54.79 54.45 1suh n ASP 44 Cb 0.00 0.85 -0.05 0.00 -1.03 0.00 0.00 41.12 40.90 1suh n ASP 44 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1suh s LYS 45 N -2.42 3.43 0.22 0.11 1.02 -0.96 -4.76 119.74 116.37 1suh s LYS 45 Ca -0.10 -0.35 -0.32 0.00 0.02 0.00 0.00 55.97 55.22 1suh s LYS 45 Cb 0.05 -3.08 -0.13 0.00 -0.52 0.00 0.00 37.83 34.16 1suh s LYS 45 CO 0.70 0.66 1.58 -2.30 -0.92 0.00 0.00 175.35 175.07 1suh n PRO 46 N 0.80 2.39 -2.07 -1.68 -0.01 -1.26 -1.43 135.00 131.74 1suh n PRO 46 Ca -0.10 0.86 -0.42 0.00 -0.01 0.00 0.00 63.50 63.83 1suh n PRO 46 Cb 0.52 -2.63 -0.03 0.00 -0.01 0.00 0.00 33.50 31.36 1suh n PRO 46 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 175.50 174.24 1suh s PRO 47 N 0.41 4.09 0.43 0.52 0.04 -1.26 -4.56 135.00 134.67 1suh s PRO 47 Ca 0.73 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.59 1suh s PRO 47 Cb -0.59 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 29.87 1suh s PRO 47 CO 0.41 -0.94 0.92 0.54 0.04 0.00 0.00 177.00 177.96 1suh s VAL 48 N 4.29 4.47 -0.41 -0.36 0.11 -1.02 -0.72 120.40 126.76 1suh s VAL 48 Ca 0.71 1.33 -0.15 0.00 -2.93 0.00 0.00 61.98 60.94 1suh s VAL 48 Cb -0.30 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 30.94 1suh s VAL 48 CO 0.28 -0.37 0.51 0.61 -3.33 0.00 0.00 175.10 172.80 1suh n GLY 49 N -0.78 -1.60 1.70 6.54 0.00 -0.60 -4.84 105.19 105.61 1suh n GLY 49 Ca 0.06 1.13 0.00 0.00 0.00 0.00 0.00 46.02 47.21 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 -0.13 0.00 -4.42 1.61 0.31 0.17 -4.85 118.33 111.02 1suh n VAL 50 Ca 0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.07 1suh n VAL 50 Cb 0.41 -0.28 -0.10 0.00 -0.91 0.00 0.00 33.84 32.97 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 -1.85 3.12 -0.11 3.52 0.40 -0.07 -0.61 117.98 122.37 1suh s PHE 51 Ca 0.00 0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1suh s PHE 51 Cb 0.00 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.80 1suh s PHE 51 CO 0.00 0.44 0.05 0.96 0.70 0.00 0.00 175.22 177.37 1suh s ILE 52 N -0.87 0.13 0.09 0.64 -4.36 0.16 -4.69 121.20 112.31 1suh s ILE 52 Ca 0.13 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.58 1suh s ILE 52 Cb -0.11 -0.51 -0.04 0.00 1.25 0.00 0.00 42.46 43.04 1suh s ILE 52 CO 0.02 0.01 0.08 0.27 0.24 0.00 0.00 174.94 175.56 1suh s ILE 53 N 2.06 4.51 -0.72 8.37 -5.25 -1.26 -0.43 121.20 128.47 1suh s ILE 53 Ca 0.03 -0.80 -0.24 0.00 -0.99 0.00 0.00 60.65 58.65 1suh s ILE 53 Cb -0.14 -3.19 0.06 0.00 2.95 0.00 0.00 42.46 42.14 1suh s ILE 53 CO -0.06 0.10 1.12 -1.61 -1.79 0.00 0.00 174.94 172.71 1suh s GLU 54 N -2.46 3.19 0.11 0.37 0.41 0.10 -4.84 118.70 115.59 1suh s GLU 54 Ca 0.29 -0.66 0.03 0.00 -0.41 0.00 0.00 54.97 54.23 1suh s GLU 54 Cb -0.12 -4.30 0.15 0.00 -1.78 0.00 0.00 34.13 28.08 1suh s GLU 54 CO 0.22 -1.97 0.82 -2.13 -0.49 0.00 0.00 175.26 171.71 1suh n ARG 55 N 8.39 0.02 0.00 1.61 0.63 -1.26 0.78 116.66 126.82 1suh n ARG 55 Ca 0.02 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.25 1suh n ARG 55 Cb 0.47 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.45 1suh n ARG 55 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1suh n GLU 56 N -1.44 0.00 -0.02 -0.14 -0.58 -1.26 -0.70 120.64 116.51 1suh n GLU 56 Ca -0.00 0.07 0.11 0.00 -0.42 0.00 0.00 57.16 56.91 1suh n GLU 56 Cb 0.37 -0.53 0.58 0.00 -0.57 0.00 0.00 31.44 31.28 1suh n GLU 56 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1suh n THR 57 N -2.35 0.04 -1.74 2.62 -2.24 -1.07 -4.70 114.28 104.84 1suh n THR 57 Ca 0.00 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1suh n THR 57 Cb 0.00 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.01 1suh n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1suh n GLY 58 N 0.91 1.57 3.64 3.38 0.00 0.23 -4.71 105.19 110.22 1suh n GLY 58 Ca 0.16 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.82 2.73 -0.29 1.61 0.52 -1.24 0.31 118.94 119.75 1suh s TRP 59 Ca 0.00 0.91 -0.26 0.00 0.02 0.00 0.00 56.10 56.77 1suh s TRP 59 Cb 0.00 -3.75 0.01 0.00 -1.15 0.00 0.00 33.47 28.58 1suh s TRP 59 CO 0.00 -1.76 0.90 -1.17 0.02 0.00 0.00 176.95 174.94 1suh s LEU 60 N 4.06 4.05 0.23 2.99 0.20 0.22 -0.72 118.68 129.71 1suh s LEU 60 Ca 0.56 0.90 0.07 0.00 0.69 0.00 0.00 54.13 56.36 1suh s LEU 60 Cb -0.19 -3.27 -0.05 0.00 -0.43 0.00 0.00 46.19 42.25 1suh s LEU 60 CO 0.20 -0.68 -0.11 -0.54 -0.29 0.00 0.00 176.35 174.93 1suh s LYS 61 N 3.16 1.41 0.03 1.98 1.02 0.42 -0.54 119.74 127.22 1suh s LYS 61 Ca 0.38 -1.67 0.01 0.00 0.02 0.00 0.00 55.97 54.71 1suh s LYS 61 Cb -0.14 -1.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.03 1suh s LYS 61 CO 0.12 0.12 -0.05 0.14 -0.92 0.00 0.00 175.35 174.76 1suh s VAL 62 N -3.00 0.27 -0.11 3.17 -7.23 -0.09 0.40 120.40 113.80 1suh s VAL 62 Ca 0.25 -1.03 0.17 0.00 -1.81 0.00 0.00 61.98 59.56 1suh s VAL 62 Cb 0.01 -0.47 -0.17 0.00 0.56 0.00 0.00 36.38 36.32 1suh s VAL 62 CO 0.09 -0.49 0.71 0.35 -0.31 0.00 0.00 175.10 175.45 1suh n THR 63 N 1.45 1.20 -4.33 5.32 -2.24 0.22 -1.24 114.28 114.66 1suh n THR 63 Ca -0.23 -0.71 -0.19 0.00 -2.27 0.00 0.00 64.05 60.65 1suh n THR 63 Cb 0.55 -0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.87 0.76 1.26 -0.78 -0.21 -1.20 -4.71 119.66 111.91 1suh s GLN 64 Ca -0.04 -0.28 -0.17 0.00 0.02 0.00 0.00 55.36 54.89 1suh s GLN 64 Cb 0.09 -0.73 0.31 0.00 1.00 0.00 0.00 33.01 33.67 1suh s GLN 64 CO 0.82 0.13 1.01 -1.25 -2.12 0.00 0.00 175.29 173.88 1suh s PRO 65 N 0.03 -1.64 0.64 2.91 0.04 -1.26 -4.87 135.00 130.85 1suh s PRO 65 Ca -0.00 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 61.39 1suh s PRO 65 Cb -0.06 -1.51 0.05 0.00 0.04 0.00 0.00 34.50 33.03 1suh s PRO 65 CO -0.00 -4.09 0.91 -0.51 0.04 0.00 0.00 177.00 173.35 1suh s LEU 66 N -7.35 3.03 -0.31 -3.56 1.02 -1.19 -4.80 118.68 105.52 1suh s LEU 66 Ca 0.69 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 55.02 1suh s LEU 66 Cb -0.18 -2.95 0.12 0.00 0.02 0.00 0.00 46.19 43.20 1suh s LEU 66 CO 0.60 -1.41 0.17 -0.62 0.02 0.00 0.00 176.35 175.11 1suh s ASP 67 N -4.49 3.26 0.57 2.29 -1.08 -1.26 -2.75 116.67 113.22 1suh s ASP 67 Ca 0.59 -1.61 0.26 0.00 -0.52 0.00 0.00 52.55 51.27 1suh s ASP 67 Cb -0.10 -0.34 1.66 0.00 -1.46 0.00 0.00 42.92 42.68 1suh s ASP 67 CO 0.42 -0.39 2.21 -0.09 0.52 0.00 0.00 175.17 177.84 1suh h ARG 68 N 7.88 0.00 0.00 4.34 2.43 -1.92 0.18 114.38 127.29 1suh h ARG 68 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1suh h ARG 68 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1suh h ARG 68 CO 0.37 0.00 0.00 0.93 -1.51 0.00 0.00 179.97 179.76 1suh h GLU 69 N 0.00 0.00 0.00 0.20 4.39 -2.02 -3.18 114.58 113.97 1suh h GLU 69 Ca 0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 1suh h GLU 69 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1suh h GLU 69 CO -0.00 0.00 -1.18 0.00 -1.16 0.00 0.00 179.01 176.67 1suh n ALA 70 N -2.00 2.08 -3.67 3.43 0.00 0.00 -5.03 120.51 115.34 1suh n ALA 70 Ca -0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1suh n ALA 70 Cb 0.08 0.43 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.06 -0.29 -2.44 0.00 1.01 0.43 -5.00 121.20 112.85 1suh s ILE 71 Ca -0.04 0.33 0.27 0.00 0.00 0.00 0.00 60.65 61.21 1suh s ILE 71 Cb 0.01 -0.33 0.55 0.00 0.01 0.00 0.00 42.46 42.70 1suh s ILE 71 CO 0.07 0.14 1.73 0.00 0.00 0.00 0.00 174.94 176.88 1suh n ALA 72 N 5.30 2.57 -3.65 9.38 0.00 -1.26 -3.59 120.51 129.27 1suh n ALA 72 Ca -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 1suh n ALA 72 Cb 0.50 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.96 0.60 -0.13 0.00 2.20 -1.26 -0.67 119.74 118.52 1suh s LYS 73 Ca 0.37 1.41 -0.07 0.00 -0.36 0.00 0.00 55.97 57.33 1suh s LYS 73 Cb 0.20 0.75 -0.04 0.00 -1.51 0.00 0.00 37.83 37.23 1suh s LYS 73 CO 0.32 -0.19 0.13 0.71 -0.36 0.00 0.00 175.35 175.96 1suh s TYR 74 N 2.68 3.54 -0.33 4.03 1.51 0.22 -4.94 117.35 124.06 1suh s TYR 74 Ca -0.07 0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 56.42 1suh s TYR 74 Cb -0.11 -1.96 0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1suh s TYR 74 CO -0.19 0.66 0.08 0.42 -1.11 0.00 0.00 175.55 175.40 1suh s ILE 75 N -0.83 3.53 -0.09 2.71 1.01 -1.26 -0.60 121.20 125.67 1suh s ILE 75 Ca 0.14 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.55 1suh s ILE 75 Cb -0.12 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1suh s ILE 75 CO 0.03 -0.17 -0.06 -0.22 0.00 0.00 0.00 174.94 174.52 1suh s LEU 76 N 1.35 3.18 0.04 2.97 2.96 -0.20 -4.30 118.68 124.69 1suh s LEU 76 Ca -0.03 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1suh s LEU 76 Cb -0.20 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1suh s LEU 76 CO 0.01 0.32 0.22 -0.31 -1.32 0.00 0.00 176.35 175.28 1suh s TYR 77 N -0.53 3.53 0.07 5.38 1.51 -0.24 0.48 117.35 127.54 1suh s TYR 77 Ca 0.08 0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 1suh s TYR 77 Cb -0.12 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1suh s TYR 77 CO 0.02 0.59 -0.05 -1.54 -1.11 0.00 0.00 175.55 173.47 1suh s SER 78 N -2.25 0.76 0.10 2.29 1.04 -0.06 -0.77 113.70 114.81 1suh s SER 78 Ca 0.33 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1suh s SER 78 Cb -0.13 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1suh s SER 78 CO 0.24 -0.52 -0.17 -1.00 0.98 0.00 0.00 173.24 172.76 1suh s HIS 79 N -3.64 1.55 0.04 5.02 0.09 -0.22 -3.12 115.29 115.01 1suh s HIS 79 Ca 0.08 -0.46 0.05 0.00 -0.00 0.00 0.00 55.06 54.72 1suh s HIS 79 Cb 0.06 -0.84 -0.02 0.00 -0.00 0.00 0.00 32.58 31.78 1suh s HIS 79 CO -0.07 0.17 -0.15 0.00 -0.00 0.00 0.00 174.74 174.68 1suh s ALA 80 N -1.50 1.24 -0.02 -1.40 0.00 -1.26 -1.15 121.76 117.67 1suh s ALA 80 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1suh s ALA 80 Cb -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1suh s ALA 80 CO 0.04 0.24 0.02 0.14 0.00 0.00 0.00 175.76 176.20 1suh s VAL 81 N -0.85 -0.01 0.25 0.00 -7.23 -0.45 0.26 120.40 112.37 1suh s VAL 81 Ca 0.02 0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 60.05 1suh s VAL 81 Cb -0.08 -0.11 -0.12 0.00 0.56 0.00 0.00 36.38 36.63 1suh s VAL 81 CO 0.01 0.09 1.64 -1.54 -0.31 0.00 0.00 175.10 175.00 1suh n SER 82 N 4.06 3.86 0.00 4.85 3.41 0.43 0.32 113.62 130.55 1suh n SER 82 Ca -0.26 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1suh n SER 82 Cb 0.51 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1suh n SER 82 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1suh n SER 83 N 2.97 0.00 -0.02 4.04 7.64 -0.21 -0.39 113.62 127.65 1suh n SER 83 Ca 0.12 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.06 1suh n SER 83 Cb 0.35 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.41 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1suh n ASN 84 N -0.78 0.12 0.00 6.43 2.04 -1.26 -4.97 115.26 116.85 1suh n ASN 84 Ca 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 54.58 54.19 1suh n ASN 84 Cb 0.00 1.56 0.00 0.00 -2.53 0.00 0.00 39.78 38.81 1suh n ASN 84 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1suh n GLY 85 N 1.36 1.10 3.76 4.83 0.00 0.48 -5.12 105.19 111.60 1suh n GLY 85 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 3.98 -0.06 1.61 0.41 -1.24 -4.93 118.70 118.47 1suh s GLU 86 Ca 0.00 -0.21 -0.30 0.00 -0.41 0.00 0.00 54.97 54.06 1suh s GLU 86 Cb 0.00 -3.34 -0.05 0.00 -1.78 0.00 0.00 34.13 28.96 1suh s GLU 86 CO 0.00 0.42 1.46 0.00 -0.49 0.00 0.00 175.26 176.65 1suh s ALA 87 N 0.00 3.62 -0.02 5.21 0.00 -1.26 -0.43 121.76 128.87 1suh s ALA 87 Ca 0.10 0.81 0.13 0.00 0.00 0.00 0.00 51.96 53.00 1suh s ALA 87 Cb -0.11 -3.65 0.24 0.00 0.00 0.00 0.00 23.12 19.59 1suh s ALA 87 CO -0.00 -1.14 1.10 1.33 0.00 0.00 0.00 175.76 177.04 1suh n VAL 88 N 5.10 0.29 -1.82 0.00 0.24 -0.94 -4.87 118.33 116.34 1suh n VAL 88 Ca 0.15 -0.82 -0.31 0.00 -2.04 0.00 0.00 64.34 61.31 1suh n VAL 88 Cb 0.44 0.61 0.02 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.43 3.45 -0.13 7.34 4.04 0.74 -4.42 118.70 129.29 1suh s GLU 89 Ca 0.20 0.77 -0.29 0.00 0.04 0.00 0.00 54.97 55.68 1suh s GLU 89 Cb 0.21 -2.06 0.07 0.00 0.02 0.00 0.00 34.13 32.38 1suh s GLU 89 CO -0.08 -0.68 0.71 -0.51 -1.84 0.00 0.00 175.26 172.86 1suh s ASP 90 N -4.13 -0.68 -0.83 0.83 1.01 -1.26 -4.76 116.67 106.86 1suh s ASP 90 Ca 0.56 0.95 -0.21 0.00 0.71 0.00 0.00 52.55 54.56 1suh s ASP 90 Cb -0.11 0.84 -0.19 0.00 1.01 0.00 0.00 42.92 44.47 1suh s ASP 90 CO 0.54 -0.48 2.16 -2.65 0.21 0.00 0.00 175.17 174.95 1suh n PRO 91 N 1.50 0.29 -3.86 8.23 -0.01 -1.26 -4.58 135.00 135.32 1suh n PRO 91 Ca -0.17 -0.86 -0.36 0.00 -0.01 0.00 0.00 63.50 62.10 1suh n PRO 91 Cb 0.56 -3.06 -0.11 0.00 -0.01 0.00 0.00 33.50 30.88 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 8.14 3.88 -0.40 -0.52 -1.94 -1.18 -4.99 119.30 122.28 1suh s MET 92 Ca 0.88 -0.38 -0.13 0.00 -1.71 0.00 0.00 55.69 54.34 1suh s MET 92 Cb -0.22 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.32 1suh s MET 92 CO 0.18 0.05 0.27 -1.83 -0.01 0.00 0.00 175.02 173.69 1suh s GLU 93 N 0.99 2.91 -0.16 2.03 4.04 -1.26 -0.88 118.70 126.36 1suh s GLU 93 Ca 0.05 -1.06 -0.20 0.00 0.04 0.00 0.00 54.97 53.80 1suh s GLU 93 Cb -0.14 -3.89 -0.03 0.00 0.02 0.00 0.00 34.13 30.09 1suh s GLU 93 CO 0.03 -0.74 0.60 0.42 -1.84 0.00 0.00 175.26 173.73 1suh s ILE 94 N 1.63 5.06 -0.25 1.83 1.01 0.18 -4.95 121.20 125.72 1suh s ILE 94 Ca 0.04 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.74 1suh s ILE 94 Cb -0.19 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1suh s ILE 94 CO 0.09 0.18 0.19 -0.69 0.00 0.00 0.00 174.94 174.70 1suh s VAL 95 N 1.47 5.33 -0.14 2.92 1.01 -0.87 -1.03 120.40 129.09 1suh s VAL 95 Ca 0.29 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1suh s VAL 95 Cb -0.16 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1suh s VAL 95 CO 0.11 0.31 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 1suh s ILE 96 N 1.26 1.81 0.07 2.22 1.01 0.23 0.16 121.20 127.96 1suh s ILE 96 Ca 0.08 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1suh s ILE 96 Cb -0.14 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.63 1suh s ILE 96 CO 0.06 0.50 0.38 0.28 0.00 0.00 0.00 174.94 176.17 1suh s THR 97 N 1.14 5.12 -0.01 2.92 -1.32 0.45 0.69 115.64 124.63 1suh s THR 97 Ca -0.01 0.41 -0.12 0.00 -1.21 0.00 0.00 61.69 60.76 1suh s THR 97 Cb -0.14 -3.64 -0.05 0.00 -1.51 0.00 0.00 72.50 67.16 1suh s THR 97 CO -0.07 0.29 0.34 -0.69 -2.21 0.00 0.00 174.62 172.29 1suh s VAL 98 N -1.39 5.16 -0.08 5.08 1.01 0.16 -0.83 120.40 129.50 1suh s VAL 98 Ca 0.33 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1suh s VAL 98 Cb -0.14 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1suh s VAL 98 CO 0.18 0.52 -0.11 0.42 0.00 0.00 0.00 175.10 176.12 1suh s THR 99 N -1.14 3.34 1.00 3.92 -4.23 -1.14 -4.89 115.64 112.50 1suh s THR 99 Ca 0.24 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 1suh s THR 99 Cb -0.15 -2.36 0.16 0.00 1.34 0.00 0.00 72.50 71.48 1suh s THR 99 CO 0.12 0.57 0.90 -0.67 -0.54 0.00 0.00 174.62 175.01 1suh n ASP 100 N 2.67 -0.76 -3.85 3.99 2.03 -1.26 -2.79 116.55 116.57 1suh n ASP 100 Ca -0.18 0.24 0.03 0.00 0.52 0.00 0.00 54.79 55.41 1suh n ASP 100 Cb 0.53 -1.34 0.01 0.00 -0.72 0.00 0.00 41.12 39.59 1suh n ASP 100 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1suh s GLN 101 N -4.32 0.26 -0.90 -0.67 0.74 -1.26 -4.70 119.66 108.81 1suh s GLN 101 Ca 0.65 -0.16 -0.28 0.00 0.05 0.00 0.00 55.36 55.61 1suh s GLN 101 Cb -0.22 0.07 -0.20 0.00 1.10 0.00 0.00 33.01 33.76 1suh s GLN 101 CO 0.62 -0.12 2.59 0.09 -0.55 0.00 0.00 175.29 177.92 1suh n ASN 102 N -0.97 0.54 -4.86 6.67 4.13 -1.26 -4.86 115.26 114.65 1suh n ASN 102 Ca 0.03 -0.05 -0.33 0.00 1.68 0.00 0.00 54.58 55.90 1suh n ASN 102 Cb 0.59 -1.03 -0.06 0.00 -1.54 0.00 0.00 39.78 37.75 1suh n ASN 102 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1suh s ASP 103 N 8.86 6.72 0.00 6.41 2.15 -1.26 -4.78 116.67 134.77 1suh s ASP 103 Ca 1.28 1.01 0.00 0.00 0.43 0.00 0.00 52.55 55.26 1suh s ASP 103 Cb -1.00 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 39.36 1suh s ASP 103 CO 0.45 -0.00 0.00 -3.20 -0.17 0.00 0.00 175.17 172.24