#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 2.50 -0.33 1.24 0.52 -1.26 -4.81 118.94 116.80 1suh s TRP 2 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 56.10 55.37 1suh s TRP 2 Cb 0.00 -4.64 0.19 0.00 -1.15 0.00 0.00 33.47 27.87 1suh s TRP 2 CO 0.00 -1.89 0.60 0.08 0.02 0.00 0.00 176.95 175.76 1suh s VAL 3 N 5.39 -1.00 -0.43 4.03 1.01 -1.26 -4.31 120.40 123.83 1suh s VAL 3 Ca 0.50 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1suh s VAL 3 Cb 0.00 -0.66 0.18 0.00 0.00 0.00 0.00 36.38 35.90 1suh s VAL 3 CO -0.06 0.00 0.64 -0.51 0.00 0.00 0.00 175.10 175.17 1suh s ILE 4 N 2.50 -0.97 0.17 2.22 2.07 -1.26 -5.03 121.20 120.90 1suh s ILE 4 Ca 0.12 -0.23 -0.11 0.00 -1.41 0.00 0.00 60.65 59.02 1suh s ILE 4 Cb -0.08 -0.03 0.07 0.00 0.13 0.00 0.00 42.46 42.55 1suh s ILE 4 CO -0.20 -0.03 1.71 -0.65 -1.91 0.00 0.00 174.94 173.86 1suh h PRO 5 N 6.63 0.93 -6.65 3.50 0.11 -1.93 -3.44 132.00 131.15 1suh h PRO 5 Ca 0.05 -0.20 -0.52 0.00 0.11 0.00 0.00 66.00 65.45 1suh h PRO 5 Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1suh h PRO 5 CO 0.09 0.82 0.48 -1.25 -0.21 0.00 0.00 178.00 177.93 1suh s PRO 6 N -5.43 4.59 0.23 1.05 0.04 -1.26 -0.04 135.00 134.18 1suh s PRO 6 Ca -0.13 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 1suh s PRO 6 Cb 0.13 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 1suh s PRO 6 CO 0.81 0.07 0.30 0.42 0.04 0.00 0.00 177.00 178.64 1suh s ILE 7 N -0.22 0.00 -0.01 0.56 -1.09 0.13 -4.93 121.20 115.64 1suh s ILE 7 Ca 0.49 -1.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.20 1suh s ILE 7 Cb -0.29 -2.38 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1suh s ILE 7 CO 0.35 0.00 -0.04 -0.94 -1.23 0.00 0.00 174.94 173.08 1suh s SER 8 N -3.11 0.52 -0.03 3.58 1.04 -1.26 -0.82 113.70 113.63 1suh s SER 8 Ca 0.32 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 1suh s SER 8 Cb 0.03 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1suh s SER 8 CO 0.12 0.02 0.04 0.00 0.98 0.00 0.00 173.24 174.40 1suh s PRO 10 N 1.35 0.25 0.36 0.00 0.04 -1.26 -2.37 135.00 133.37 1suh s PRO 10 Ca -0.06 0.73 0.08 0.00 0.04 0.00 0.00 61.00 61.79 1suh s PRO 10 Cb -0.13 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1suh s PRO 10 CO -0.03 -2.90 -0.04 -1.83 0.04 0.00 0.00 177.00 172.23 1suh s GLU 11 N -4.80 1.85 -1.78 4.56 -1.05 -1.25 -3.20 118.70 113.03 1suh s GLU 11 Ca 0.66 -1.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.48 1suh s GLU 11 Cb -0.20 -1.60 0.00 0.00 -0.44 0.00 0.00 34.13 31.89 1suh s GLU 11 CO 0.59 0.04 0.00 0.09 0.95 0.00 0.00 175.26 176.94 1suh n ASN 12 N -0.84 -5.63 -4.56 0.83 3.02 -0.43 -4.62 115.26 103.02 1suh n ASN 12 Ca -0.05 0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1suh n ASN 12 Cb 0.65 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.05 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 -4.82 3.05 0.47 3.52 2.02 -1.26 -4.98 118.70 116.69 1suh s GLU 13 Ca 0.00 0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.41 1suh s GLU 13 Cb 0.00 -4.23 -0.01 0.00 0.10 0.00 0.00 34.13 29.98 1suh s GLU 13 CO 0.00 -2.25 0.72 -1.59 0.02 0.00 0.00 175.26 172.16 1suh s LYS 14 N 6.09 3.22 0.00 1.61 0.00 -1.26 -4.51 119.74 124.90 1suh s LYS 14 Ca 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 55.97 56.32 1suh s LYS 14 Cb -0.12 -2.48 0.00 0.00 0.00 0.00 0.00 37.83 35.23 1suh s LYS 14 CO 0.22 -0.27 0.00 0.41 0.00 0.00 0.00 175.35 175.72 1suh n GLY 15 N -2.17 0.87 3.69 0.59 0.00 -1.26 -5.05 105.19 101.86 1suh n GLY 15 Ca 0.01 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1suh n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1suh s GLU 16 N -1.63 4.43 0.19 1.61 1.03 -1.26 -5.03 118.70 118.03 1suh s GLU 16 Ca 0.00 1.35 -0.01 0.00 0.03 0.00 0.00 54.97 56.33 1suh s GLU 16 Cb 0.00 -3.53 -0.04 0.00 -0.80 0.00 0.00 34.13 29.75 1suh s GLU 16 CO 0.00 -0.28 0.38 -0.06 -1.33 0.00 0.00 175.26 173.98 1suh s PHE 17 N 1.88 3.48 0.87 4.83 0.08 -1.26 -4.26 117.98 123.61 1suh s PHE 17 Ca 0.48 0.38 -0.15 0.00 0.12 0.00 0.00 56.93 57.75 1suh s PHE 17 Cb -0.18 -1.88 0.21 0.00 -0.57 0.00 0.00 43.02 40.60 1suh s PHE 17 CO 0.19 0.40 0.98 -0.35 -0.10 0.00 0.00 175.22 176.33 1suh n PRO 18 N -0.49 -1.78 -3.83 0.24 -0.04 -1.26 -5.11 135.00 122.73 1suh n PRO 18 Ca -0.04 -1.54 -0.13 0.00 -0.04 0.00 0.00 63.50 61.75 1suh n PRO 18 Cb 0.53 -1.19 -0.15 0.00 -0.04 0.00 0.00 33.50 32.65 1suh n PRO 18 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1suh s LYS 19 N -5.18 0.00 0.45 0.54 -2.85 0.11 -4.95 119.74 107.86 1suh s LYS 19 Ca 0.59 0.10 -0.22 0.00 -1.00 0.00 0.00 55.97 55.44 1suh s LYS 19 Cb -0.03 -0.09 -0.09 0.00 -2.06 0.00 0.00 37.83 35.56 1suh s LYS 19 CO 0.43 -0.07 1.05 -0.80 0.10 0.00 0.00 175.35 176.06 1suh s ASN 20 N 0.45 6.48 0.05 0.03 0.02 -1.26 -0.53 114.94 120.18 1suh s ASN 20 Ca -0.04 2.01 0.00 0.00 -1.02 0.00 0.00 52.86 53.81 1suh s ASN 20 Cb -0.05 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.64 1suh s ASN 20 CO -0.01 -0.68 0.00 0.18 0.02 0.00 0.00 177.10 176.60 1suh n LEU 21 N -0.58 0.47 -3.65 0.60 4.77 0.34 -4.88 117.00 114.07 1suh n LEU 21 Ca 0.07 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1suh n LEU 21 Cb 0.51 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1suh n LEU 21 CO 0.42 -0.62 0.14 0.54 -1.33 0.00 0.00 177.39 176.54 1suh s VAL 22 N -1.46 0.07 0.55 4.08 0.11 -1.07 -5.00 120.40 117.69 1suh s VAL 22 Ca 0.00 -0.62 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 1suh s VAL 22 Cb 0.00 -1.18 -0.06 0.00 -1.53 0.00 0.00 36.38 33.61 1suh s VAL 22 CO 0.00 -0.34 1.02 -1.58 -3.33 0.00 0.00 175.10 170.87 1suh s GLN 23 N -3.81 3.65 0.57 1.54 0.74 -1.26 0.37 119.66 121.46 1suh s GLN 23 Ca 0.03 1.10 -0.03 0.00 0.05 0.00 0.00 55.36 56.51 1suh s GLN 23 Cb 0.02 -2.09 0.02 0.00 1.10 0.00 0.00 33.01 32.07 1suh s GLN 23 CO -0.12 -0.53 0.84 0.42 -0.55 0.00 0.00 175.29 175.35 1suh s ILE 24 N -2.50 3.29 -0.11 -2.34 -1.09 0.93 -4.74 121.20 114.63 1suh s ILE 24 Ca 0.62 -0.30 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 1suh s ILE 24 Cb -0.13 -3.29 0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1suh s ILE 24 CO 0.33 -0.26 0.09 -0.54 -1.23 0.00 0.00 174.94 173.33 1suh s LYS 25 N -4.89 0.01 0.00 2.79 1.02 -1.26 -4.97 119.74 112.43 1suh s LYS 25 Ca 0.54 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1suh s LYS 25 Cb -0.10 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 1suh s LYS 25 CO 0.42 -0.51 0.00 0.45 -0.92 0.00 0.00 175.35 174.79 1suh n SER 26 N 5.29 0.00 0.00 2.83 2.88 -1.26 -4.62 113.62 118.74 1suh n SER 26 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1suh n SER 26 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1suh n SER 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1suh n ASN 27 N 0.00 0.00 0.00 -3.46 6.94 -1.26 -4.44 115.26 113.04 1suh n ASN 27 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 1suh n ASN 27 Cb 0.00 0.29 0.18 0.00 -2.36 0.00 0.00 39.78 37.89 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1suh n ARG 28 N -2.14 0.53 0.00 -3.83 5.12 -1.26 -3.67 116.66 111.41 1suh n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1suh n ARG 28 Cb 0.00 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 1suh n ARG 28 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1suh n ASP 29 N -0.68 0.63 0.00 0.55 5.75 -1.26 -1.61 116.55 119.93 1suh n ASP 29 Ca 0.05 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 54.00 1suh n ASP 29 Cb 0.02 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.43 -0.48 -0.02 0.11 4.76 -1.24 -4.78 118.16 116.94 1suh n LYS 30 Ca 0.00 -0.47 -0.02 0.00 -2.87 0.00 0.00 58.31 54.95 1suh n LYS 30 Cb 0.13 -0.89 -0.02 0.00 -1.84 0.00 0.00 35.03 32.42 1suh n LYS 30 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1suh n GLU 31 N -0.04 1.07 -3.52 1.97 0.28 -0.63 -5.09 120.64 114.69 1suh n GLU 31 Ca 0.00 0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 56.84 1suh n GLU 31 Cb 0.08 -1.07 -0.06 0.00 1.43 0.00 0.00 31.44 31.82 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 -2.07 0.00 -0.39 3.84 -1.32 -1.23 -5.09 115.64 109.37 1suh s THR 32 Ca -0.04 0.00 -0.39 0.00 -1.21 0.00 0.00 61.69 60.05 1suh s THR 32 Cb 0.01 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.85 1suh s THR 32 CO 0.09 0.00 2.09 1.17 -2.21 0.00 0.00 174.62 175.77 1suh n LYS 33 N 0.85 0.70 -3.87 7.08 4.81 -1.26 -4.65 118.16 121.82 1suh n LYS 33 Ca -0.19 0.20 -0.36 0.00 -0.87 0.00 0.00 58.31 57.09 1suh n LYS 33 Cb 0.57 -2.06 -0.07 0.00 0.02 0.00 0.00 35.03 33.49 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 6.22 5.38 0.27 3.15 0.11 -1.26 -0.71 120.40 133.56 1suh s VAL 34 Ca 1.11 0.17 0.04 0.00 -2.93 0.00 0.00 61.98 60.37 1suh s VAL 34 Cb -1.12 -3.37 -0.03 0.00 -1.53 0.00 0.00 36.38 30.32 1suh s VAL 34 CO 0.58 0.56 0.41 -0.36 -3.33 0.00 0.00 175.10 172.96 1suh s PHE 35 N -0.59 3.47 0.27 1.54 0.40 0.18 -4.88 117.98 118.37 1suh s PHE 35 Ca 0.12 0.09 0.09 0.00 -0.60 0.00 0.00 56.93 56.63 1suh s PHE 35 Cb -0.12 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.71 1suh s PHE 35 CO 0.02 0.35 0.07 0.71 0.70 0.00 0.00 175.22 177.08 1suh s TYR 36 N -2.07 2.82 0.01 0.36 2.02 -0.08 -1.18 117.35 119.25 1suh s TYR 36 Ca 0.36 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 1suh s TYR 36 Cb -0.09 -1.30 -0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1suh s TYR 36 CO 0.31 0.56 0.10 -1.12 -1.57 0.00 0.00 175.55 173.84 1suh s SER 37 N -3.74 0.09 0.02 2.29 0.01 0.83 -4.32 113.70 108.87 1suh s SER 37 Ca 0.32 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1suh s SER 37 Cb -0.06 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 1suh s SER 37 CO 0.22 -0.39 -0.04 -0.51 0.41 0.00 0.00 173.24 172.93 1suh s ILE 38 N -1.62 0.28 0.02 1.44 2.07 -1.26 -1.44 121.20 120.68 1suh s ILE 38 Ca -0.13 -0.64 -0.28 0.00 -1.41 0.00 0.00 60.65 58.18 1suh s ILE 38 Cb -0.07 -0.33 0.07 0.00 0.13 0.00 0.00 42.46 42.26 1suh s ILE 38 CO 0.00 -0.24 0.65 0.28 -1.91 0.00 0.00 174.94 173.72 1suh s THR 39 N -0.88 0.00 0.00 4.00 -1.32 0.18 -4.84 115.64 112.79 1suh s THR 39 Ca -0.07 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1suh s THR 39 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1suh s THR 39 CO -0.00 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1suh n GLY 40 N 0.50 1.52 3.61 6.08 0.00 -1.26 -1.01 105.19 114.63 1suh n GLY 40 Ca -0.18 -2.19 -0.49 0.00 0.00 0.00 0.00 46.02 43.16 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 -1.21 1.39 0.00 1.61 10.64 -1.26 -0.74 117.38 127.81 1suh n GLN 41 Ca 0.00 0.50 0.00 0.00 -1.83 0.00 0.00 57.00 55.67 1suh n GLN 41 Cb 0.00 -2.11 0.00 0.00 -0.86 0.00 0.00 30.24 27.27 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 2.42 3.22 0.19 2.61 0.00 0.73 -4.71 105.19 109.65 1suh n GLY 42 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.52 1.88 -0.03 4.61 0.00 0.08 0.26 120.51 125.78 1suh n ALA 43 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1suh n ALA 43 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.41 0.74 -4.91 0.00 5.75 -1.04 -1.66 116.55 114.02 1suh n ASP 44 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 1suh n ASP 44 Cb 0.00 1.60 -0.04 0.00 -1.03 0.00 0.00 41.12 41.64 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 -3.05 3.41 0.20 0.11 1.02 -1.02 -4.74 119.74 115.66 1suh s LYS 45 Ca -0.07 -0.45 -0.32 0.00 0.02 0.00 0.00 55.97 55.15 1suh s LYS 45 Cb 0.10 -3.03 -0.12 0.00 -0.52 0.00 0.00 37.83 34.26 1suh s LYS 45 CO 0.76 0.61 1.71 -2.30 -0.92 0.00 0.00 175.35 175.20 1suh n PRO 46 N 0.33 2.68 -2.08 -1.68 -0.01 -1.26 -1.34 135.00 131.64 1suh n PRO 46 Ca -0.05 0.97 -0.42 0.00 -0.01 0.00 0.00 63.50 63.98 1suh n PRO 46 Cb 0.51 -2.80 -0.03 0.00 -0.01 0.00 0.00 33.50 31.17 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 1.20 4.14 -0.13 0.52 0.04 -1.26 -4.51 135.00 134.99 1suh s PRO 47 Ca 0.76 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 1suh s PRO 47 Cb -0.53 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.03 1suh s PRO 47 CO 0.33 -0.89 0.97 0.54 0.04 0.00 0.00 177.00 177.99 1suh s VAL 48 N 4.12 4.80 0.00 -0.36 0.11 -0.83 -0.19 120.40 128.05 1suh s VAL 48 Ca 0.71 1.94 0.00 0.00 -2.93 0.00 0.00 61.98 61.70 1suh s VAL 48 Cb -0.31 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 1suh s VAL 48 CO 0.27 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.65 1suh n GLY 49 N 3.19 -0.25 0.69 6.54 0.00 -0.66 -4.90 105.19 109.79 1suh n GLY 49 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.10 0.00 -5.03 1.61 0.31 0.72 -4.80 118.33 111.04 1suh n VAL 50 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1suh n VAL 50 Cb 0.00 -0.05 -0.15 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.34 2.16 0.01 3.52 0.08 -0.05 -0.34 117.98 122.03 1suh s PHE 51 Ca 0.00 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.65 1suh s PHE 51 Cb 0.00 -1.35 -0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1suh s PHE 51 CO 0.00 0.04 -0.02 0.96 -0.10 0.00 0.00 175.22 176.10 1suh s ILE 52 N -0.68 0.07 0.05 0.64 -0.00 0.62 -4.55 121.20 117.34 1suh s ILE 52 Ca 0.10 -0.47 0.08 0.00 -0.00 0.00 0.00 60.65 60.36 1suh s ILE 52 Cb -0.09 -0.15 -0.03 0.00 -0.00 0.00 0.00 42.46 42.19 1suh s ILE 52 CO 0.00 -0.25 -0.22 -0.63 -0.00 0.00 0.00 174.94 173.84 1suh s ILE 53 N -0.75 1.79 -0.49 8.37 1.01 -1.26 0.03 121.20 129.90 1suh s ILE 53 Ca -0.08 -1.28 -0.28 0.00 0.00 0.00 0.00 60.65 59.01 1suh s ILE 53 Cb -0.05 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 1suh s ILE 53 CO -0.00 0.22 1.59 -0.70 0.00 0.00 0.00 174.94 176.04 1suh s GLU 54 N -1.27 3.24 0.63 2.79 -6.30 -0.35 -4.83 118.70 112.61 1suh s GLU 54 Ca 0.08 0.81 0.27 0.00 -2.50 0.00 0.00 54.97 53.63 1suh s GLU 54 Cb -0.09 -4.17 1.48 0.00 0.00 0.00 0.00 34.13 31.35 1suh s GLU 54 CO 0.02 -1.99 1.82 -0.09 0.02 0.00 0.00 175.26 175.04 1suh h ARG 55 N 12.14 0.00 0.00 4.30 2.43 -1.92 0.86 114.38 132.19 1suh h ARG 55 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1suh h ARG 55 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1suh h ARG 55 CO 1.13 0.00 -0.07 0.39 -1.51 0.00 0.00 179.97 179.92 1suh n GLU 56 N -2.79 0.04 0.19 0.20 1.02 -1.26 -0.90 120.64 117.15 1suh n GLU 56 Ca -0.02 0.11 0.09 0.00 -0.02 0.00 0.00 57.16 57.32 1suh n GLU 56 Cb 0.40 -0.67 0.15 0.00 -0.02 0.00 0.00 31.44 31.30 1suh n GLU 56 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1suh h THR 57 N -0.08 0.33 0.00 2.62 1.35 -1.90 -3.44 112.91 111.79 1suh h THR 57 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1suh h THR 57 Cb 0.07 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1suh h THR 57 CO 0.00 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1suh n GLY 58 N 1.06 0.49 3.65 5.82 0.00 0.30 -4.70 105.19 111.81 1suh n GLY 58 Ca 0.03 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 2.27 -0.48 1.61 0.52 -1.25 -0.05 118.94 119.55 1suh s TRP 59 Ca 0.00 0.52 -0.28 0.00 0.02 0.00 0.00 56.10 56.36 1suh s TRP 59 Cb 0.00 -3.82 0.03 0.00 -1.15 0.00 0.00 33.47 28.53 1suh s TRP 59 CO 0.00 -2.97 1.10 -1.17 0.02 0.00 0.00 176.95 173.93 1suh s LEU 60 N 4.19 3.70 0.30 2.99 0.20 0.16 -1.21 118.68 129.00 1suh s LEU 60 Ca 0.67 0.37 0.10 0.00 0.69 0.00 0.00 54.13 55.96 1suh s LEU 60 Cb -0.27 -3.46 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 1suh s LEU 60 CO 0.25 -1.22 -0.03 -0.54 -0.29 0.00 0.00 176.35 174.52 1suh s LYS 61 N 4.34 2.12 0.05 1.98 1.02 0.10 -0.50 119.74 128.84 1suh s LYS 61 Ca 0.46 -1.59 0.05 0.00 0.02 0.00 0.00 55.97 54.90 1suh s LYS 61 Cb -0.08 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1suh s LYS 61 CO 0.31 0.27 -0.15 0.54 -0.92 0.00 0.00 175.35 175.40 1suh s VAL 62 N -2.42 1.15 -0.13 3.17 0.11 0.31 -0.28 120.40 122.31 1suh s VAL 62 Ca 0.33 -1.07 0.21 0.00 -2.93 0.00 0.00 61.98 58.51 1suh s VAL 62 Cb -0.04 -1.05 -0.19 0.00 -1.53 0.00 0.00 36.38 33.57 1suh s VAL 62 CO 0.19 -0.02 0.67 0.35 -3.33 0.00 0.00 175.10 172.95 1suh n THR 63 N 1.78 0.59 -4.29 5.04 -2.24 0.54 -0.71 114.28 114.99 1suh n THR 63 Ca -0.18 -0.60 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 1suh n THR 63 Cb 0.54 -0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.23 0.63 0.98 -0.78 -0.21 -1.20 -4.79 119.66 111.06 1suh s GLN 64 Ca -0.05 -0.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.91 1suh s GLN 64 Cb 0.11 -0.61 0.18 0.00 1.00 0.00 0.00 33.01 33.69 1suh s GLN 64 CO 0.85 0.16 1.09 -1.25 -2.12 0.00 0.00 175.29 174.02 1suh s PRO 65 N -0.26 0.54 0.46 2.91 0.04 -1.26 -4.94 135.00 132.50 1suh s PRO 65 Ca 0.02 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 1suh s PRO 65 Cb -0.03 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1suh s PRO 65 CO -0.00 -2.79 0.72 -0.51 0.04 0.00 0.00 177.00 174.46 1suh s LEU 66 N -6.62 3.65 -0.23 -3.56 1.43 -1.20 -4.74 118.68 107.41 1suh s LEU 66 Ca 0.66 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 54.34 1suh s LEU 66 Cb -0.21 -3.51 0.12 0.00 0.03 0.00 0.00 46.19 42.62 1suh s LEU 66 CO 0.60 -0.63 0.38 -0.62 0.23 0.00 0.00 176.35 176.30 1suh s ASP 67 N -4.15 0.16 0.57 2.29 -1.08 -1.26 -1.31 116.67 111.88 1suh s ASP 67 Ca 0.47 0.38 0.28 0.00 -0.52 0.00 0.00 52.55 53.17 1suh s ASP 67 Cb -0.10 1.14 1.49 0.00 -1.46 0.00 0.00 42.92 43.99 1suh s ASP 67 CO 0.41 -0.28 1.95 0.03 0.52 0.00 0.00 175.17 177.80 1suh h ARG 68 N 8.19 0.00 -0.35 4.34 3.08 -1.94 0.35 114.38 128.04 1suh h ARG 68 Ca -0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 1suh h ARG 68 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1suh h ARG 68 CO 0.24 0.00 0.04 0.93 -1.07 0.00 0.00 179.97 180.11 1suh h GLU 69 N 0.00 0.53 0.00 0.04 5.08 -2.01 -3.30 114.58 114.93 1suh h GLU 69 Ca 0.22 -0.10 -0.31 0.00 -1.00 0.00 0.00 59.36 58.17 1suh h GLU 69 Cb 1.07 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1suh h GLU 69 CO -0.00 0.53 -1.81 0.00 -1.00 0.00 0.00 179.01 176.73 1suh n ALA 70 N -2.48 0.97 -3.51 3.43 0.00 0.94 -4.99 120.51 114.86 1suh n ALA 70 Ca 0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.53 1suh n ALA 70 Cb 0.21 -0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.47 -0.03 -0.12 0.00 1.01 0.51 -5.03 121.20 115.08 1suh s ILE 71 Ca -0.33 0.09 0.17 0.00 0.00 0.00 0.00 60.65 60.59 1suh s ILE 71 Cb 0.10 -0.37 -0.14 0.00 0.01 0.00 0.00 42.46 42.05 1suh s ILE 71 CO 0.50 0.04 0.79 0.00 0.00 0.00 0.00 174.94 176.28 1suh n ALA 72 N 3.78 1.93 -3.71 9.38 0.00 -1.26 -3.65 120.51 126.97 1suh n ALA 72 Ca -0.21 -0.57 -0.14 0.00 0.00 0.00 0.00 53.44 52.52 1suh n ALA 72 Cb 0.55 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.92 0.10 -0.00 0.00 2.20 -1.26 0.16 119.74 118.02 1suh s LYS 73 Ca -0.03 0.51 -0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1suh s LYS 73 Cb 0.09 -0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1suh s LYS 73 CO 0.81 -0.23 0.20 0.71 -0.36 0.00 0.00 175.35 176.48 1suh s TYR 74 N 1.74 3.55 -0.06 4.03 1.51 0.18 -4.94 117.35 123.36 1suh s TYR 74 Ca -0.04 0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1suh s TYR 74 Cb -0.12 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1suh s TYR 74 CO -0.07 0.63 -0.12 0.42 -1.11 0.00 0.00 175.55 175.31 1suh s ILE 75 N -1.34 3.24 -0.03 2.71 1.01 -1.26 -0.75 121.20 124.78 1suh s ILE 75 Ca 0.28 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1suh s ILE 75 Cb -0.13 -2.29 0.03 0.00 0.01 0.00 0.00 42.46 40.08 1suh s ILE 75 CO 0.19 0.58 0.05 -0.22 0.00 0.00 0.00 174.94 175.54 1suh s LEU 76 N -0.61 0.86 -0.19 2.97 2.96 -0.16 -4.32 118.68 120.17 1suh s LEU 76 Ca 0.09 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1suh s LEU 76 Cb -0.11 -0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.49 1suh s LEU 76 CO 0.01 -0.15 0.19 -0.31 -1.32 0.00 0.00 176.35 174.77 1suh s TYR 77 N 1.30 3.42 0.27 5.38 1.51 -0.18 0.20 117.35 129.25 1suh s TYR 77 Ca -0.06 0.41 0.11 0.00 -1.01 0.00 0.00 57.07 56.52 1suh s TYR 77 Cb -0.13 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.44 1suh s TYR 77 CO -0.03 0.25 -0.17 -1.54 -1.11 0.00 0.00 175.55 172.95 1suh s SER 78 N 0.46 3.76 0.01 2.29 1.04 -0.15 -0.64 113.70 120.47 1suh s SER 78 Ca 0.11 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 1suh s SER 78 Cb -0.12 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 1suh s SER 78 CO 0.00 0.04 -0.01 -1.00 0.98 0.00 0.00 173.24 173.25 1suh s HIS 79 N -2.41 0.16 0.02 5.02 3.76 -0.52 -3.06 115.29 118.26 1suh s HIS 79 Ca 0.30 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 54.95 1suh s HIS 79 Cb -0.06 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.49 1suh s HIS 79 CO 0.15 -0.12 -0.18 0.00 -0.85 0.00 0.00 174.74 173.74 1suh s ALA 80 N -0.91 2.56 -0.03 -1.40 0.00 -1.26 -0.12 121.76 120.60 1suh s ALA 80 Ca -0.10 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1suh s ALA 80 Cb -0.06 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1suh s ALA 80 CO -0.01 0.57 0.06 0.14 0.00 0.00 0.00 175.76 176.52 1suh s VAL 81 N -0.86 -0.04 0.25 0.00 -7.23 -0.32 0.30 120.40 112.49 1suh s VAL 81 Ca 0.14 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 1suh s VAL 81 Cb -0.10 -0.11 -0.11 0.00 0.56 0.00 0.00 36.38 36.62 1suh s VAL 81 CO 0.04 0.06 1.52 -0.94 -0.31 0.00 0.00 175.10 175.47 1suh s SER 82 N 0.85 6.54 0.00 4.85 1.04 0.68 0.49 113.70 128.14 1suh s SER 82 Ca -0.07 2.76 0.01 0.00 0.48 0.00 0.00 55.95 59.13 1suh s SER 82 Cb -0.10 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.44 1suh s SER 82 CO -0.03 -0.80 0.25 -0.24 0.98 0.00 0.00 173.24 173.40 1suh n SER 83 N 2.55 0.00 0.02 7.02 2.88 0.11 -0.63 113.62 125.58 1suh n SER 83 Ca 0.08 -0.08 0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1suh n SER 83 Cb 0.39 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1suh n ASN 84 N -0.69 0.34 0.00 -3.46 2.04 -1.26 -4.95 115.26 107.28 1suh n ASN 84 Ca 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 54.58 54.15 1suh n ASN 84 Cb 0.00 1.42 0.00 0.00 -2.53 0.00 0.00 39.78 38.67 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 1.26 1.04 3.73 4.83 0.00 0.20 -5.10 105.19 111.16 1suh n GLY 85 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.17 4.22 0.07 1.61 2.02 -1.23 -4.94 118.70 120.28 1suh s GLU 86 Ca 0.00 -0.07 -0.31 0.00 0.02 0.00 0.00 54.97 54.61 1suh s GLU 86 Cb 0.00 -3.43 -0.07 0.00 0.10 0.00 0.00 34.13 30.73 1suh s GLU 86 CO 0.00 0.26 1.35 0.00 0.02 0.00 0.00 175.26 176.89 1suh s ALA 87 N 0.45 3.54 -0.02 5.21 0.00 -1.26 -0.23 121.76 129.45 1suh s ALA 87 Ca 0.12 0.99 0.11 0.00 0.00 0.00 0.00 51.96 53.18 1suh s ALA 87 Cb -0.12 -3.53 0.19 0.00 0.00 0.00 0.00 23.12 19.66 1suh s ALA 87 CO 0.01 -0.66 1.08 1.33 0.00 0.00 0.00 175.76 177.52 1suh n VAL 88 N 4.14 0.25 -1.89 0.00 0.24 -0.91 -4.83 118.33 115.33 1suh n VAL 88 Ca 0.11 -0.68 -0.29 0.00 -2.04 0.00 0.00 64.34 61.44 1suh n VAL 88 Cb 0.44 0.58 0.08 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.38 2.17 -0.22 7.34 4.04 0.86 -4.45 118.70 128.07 1suh s GLU 89 Ca 0.16 0.20 -0.25 0.00 0.04 0.00 0.00 54.97 55.12 1suh s GLU 89 Cb 0.17 -1.97 0.07 0.00 0.02 0.00 0.00 34.13 32.43 1suh s GLU 89 CO -0.06 -1.47 0.68 -0.51 -1.84 0.00 0.00 175.26 172.06 1suh s ASP 90 N -4.52 -0.70 -0.84 0.83 1.01 -1.26 -4.77 116.67 106.42 1suh s ASP 90 Ca 0.61 1.26 -0.22 0.00 0.71 0.00 0.00 52.55 54.91 1suh s ASP 90 Cb -0.11 1.25 -0.19 0.00 1.01 0.00 0.00 42.92 44.87 1suh s ASP 90 CO 0.50 -0.30 2.35 -2.65 0.21 0.00 0.00 175.17 175.28 1suh n PRO 91 N 2.38 0.42 -3.71 8.23 -0.01 -1.26 -4.58 135.00 136.48 1suh n PRO 91 Ca -0.15 -0.62 -0.38 0.00 -0.01 0.00 0.00 63.50 62.35 1suh n PRO 91 Cb 0.56 -2.99 -0.12 0.00 -0.01 0.00 0.00 33.50 30.93 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 8.43 3.34 -0.43 -0.52 -1.94 -1.17 -5.00 119.30 122.00 1suh s MET 92 Ca 1.03 -0.70 -0.18 0.00 -1.71 0.00 0.00 55.69 54.13 1suh s MET 92 Cb -0.32 -3.45 0.02 0.00 2.01 0.00 0.00 34.83 33.09 1suh s MET 92 CO 0.21 -0.37 0.47 -1.83 -0.01 0.00 0.00 175.02 173.49 1suh s GLU 93 N 1.58 3.11 -0.17 2.03 -1.05 -1.26 -0.97 118.70 121.97 1suh s GLU 93 Ca 0.04 -0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 53.96 1suh s GLU 93 Cb -0.17 -3.98 -0.04 0.00 -0.44 0.00 0.00 34.13 29.51 1suh s GLU 93 CO 0.05 -0.89 0.43 0.42 0.95 0.00 0.00 175.26 176.21 1suh s ILE 94 N 2.23 5.19 -0.22 1.83 1.01 0.13 -4.84 121.20 126.53 1suh s ILE 94 Ca 0.13 0.81 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 1suh s ILE 94 Cb -0.17 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1suh s ILE 94 CO 0.14 0.28 0.11 -0.69 0.00 0.00 0.00 174.94 174.77 1suh s VAL 95 N 1.07 4.94 -0.21 2.92 1.01 0.94 -0.99 120.40 130.07 1suh s VAL 95 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1suh s VAL 95 Cb -0.15 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1suh s VAL 95 CO 0.08 0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.83 1suh s ILE 96 N 0.96 1.75 0.22 2.22 1.01 0.07 0.22 121.20 127.65 1suh s ILE 96 Ca 0.06 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 1suh s ILE 96 Cb -0.14 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 1suh s ILE 96 CO 0.03 0.13 0.52 0.28 0.00 0.00 0.00 174.94 175.90 1suh s THR 97 N 1.33 4.97 0.18 2.92 -1.32 -0.00 0.50 115.64 124.23 1suh s THR 97 Ca -0.03 0.39 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 1suh s THR 97 Cb -0.17 -3.62 -0.07 0.00 -1.51 0.00 0.00 72.50 67.13 1suh s THR 97 CO -0.08 -0.06 0.52 -0.69 -2.21 0.00 0.00 174.62 172.11 1suh s VAL 98 N -1.80 4.94 0.05 5.08 1.01 0.12 -0.94 120.40 128.86 1suh s VAL 98 Ca 0.46 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1suh s VAL 98 Cb -0.11 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1suh s VAL 98 CO 0.22 0.08 -0.18 0.42 0.00 0.00 0.00 175.10 175.63 1suh s THR 99 N -1.65 2.77 -0.86 3.92 -4.23 -1.00 -4.88 115.64 109.72 1suh s THR 99 Ca 0.42 -1.21 -0.23 0.00 -1.18 0.00 0.00 61.69 59.49 1suh s THR 99 Cb -0.13 -2.17 -0.15 0.00 1.34 0.00 0.00 72.50 71.39 1suh s THR 99 CO 0.20 0.32 1.91 -0.90 -0.54 0.00 0.00 174.62 175.62 1suh n ASP 100 N 1.51 2.61 0.00 3.99 5.68 -1.26 -3.75 116.55 125.32 1suh n ASP 100 Ca -0.16 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.45 1suh n ASP 100 Cb 0.52 -1.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 1suh n ASP 100 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1suh n GLN 101 N 7.43 0.00 0.00 0.11 7.27 -1.26 -4.44 117.38 126.49 1suh n GLN 101 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1suh n GLN 101 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 1suh n GLN 101 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1suh n ASN 102 N -1.92 0.00 -4.39 1.69 2.85 -1.26 -4.94 115.26 107.29 1suh n ASN 102 Ca 0.00 -0.81 -0.29 0.00 -0.11 0.00 0.00 54.58 53.37 1suh n ASN 102 Cb 0.00 0.00 0.16 0.00 1.24 0.00 0.00 39.78 41.18 1suh n ASN 102 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1suh s ASP 103 N 0.00 3.34 0.00 1.20 2.15 -1.26 -5.29 116.67 116.81 1suh s ASP 103 Ca 0.00 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.50 1suh s ASP 103 Cb 0.00 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 1suh s ASP 103 CO 0.00 -2.61 0.15 -3.20 -0.17 0.00 0.00 175.17 169.34