#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 2.93 -0.33 2.11 0.52 -1.26 -4.83 118.94 118.07 1suh s TRP 2 Ca 0.00 -1.36 0.05 0.00 0.02 0.00 0.00 56.10 54.81 1suh s TRP 2 Cb 0.00 -4.50 0.19 0.00 -1.15 0.00 0.00 33.47 28.01 1suh s TRP 2 CO 0.00 -1.68 0.65 0.08 0.02 0.00 0.00 176.95 176.02 1suh s VAL 3 N 3.53 -0.92 -0.43 4.03 1.01 -1.26 -4.32 120.40 122.03 1suh s VAL 3 Ca 0.42 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.47 1suh s VAL 3 Cb -0.02 -0.59 0.18 0.00 0.00 0.00 0.00 36.38 35.95 1suh s VAL 3 CO -0.06 0.00 0.67 -0.51 0.00 0.00 0.00 175.10 175.20 1suh s ILE 4 N 2.50 -0.97 0.18 2.22 2.07 -1.26 -5.03 121.20 120.90 1suh s ILE 4 Ca 0.13 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.05 1suh s ILE 4 Cb -0.07 0.00 0.08 0.00 0.13 0.00 0.00 42.46 42.60 1suh s ILE 4 CO -0.19 0.00 1.71 -0.65 -1.91 0.00 0.00 174.94 173.90 1suh h PRO 5 N 6.51 0.96 -6.84 3.50 0.11 -1.96 -3.44 132.00 130.84 1suh h PRO 5 Ca 0.05 -0.20 -0.51 0.00 0.11 0.00 0.00 66.00 65.45 1suh h PRO 5 Cb 1.17 -0.14 0.03 0.00 0.11 0.00 0.00 31.00 32.17 1suh h PRO 5 CO 0.07 0.85 0.50 -1.25 -0.21 0.00 0.00 178.00 177.96 1suh s PRO 6 N -5.42 4.51 0.12 1.05 0.04 -1.26 -2.79 135.00 131.25 1suh s PRO 6 Ca -0.13 1.86 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1suh s PRO 6 Cb 0.13 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 1suh s PRO 6 CO 0.81 0.08 0.15 0.42 0.04 0.00 0.00 177.00 178.50 1suh s ILE 7 N -1.21 0.12 0.05 0.56 -1.09 -0.22 -4.96 121.20 114.45 1suh s ILE 7 Ca 0.47 -1.56 0.06 0.00 -2.23 0.00 0.00 60.65 57.39 1suh s ILE 7 Cb -0.32 -1.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 1suh s ILE 7 CO 0.42 -0.52 -0.16 -0.94 -1.23 0.00 0.00 174.94 172.50 1suh s SER 8 N -2.96 1.90 -0.10 3.58 1.04 -1.26 -0.76 113.70 115.14 1suh s SER 8 Ca 0.15 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 1suh s SER 8 Cb 0.06 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.10 1suh s SER 8 CO -0.03 0.04 0.09 0.00 0.98 0.00 0.00 173.24 174.32 1suh s PRO 10 N 2.18 2.28 0.41 0.00 0.04 -1.26 -2.39 135.00 136.26 1suh s PRO 10 Ca 0.04 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.44 1suh s PRO 10 Cb -0.14 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1suh s PRO 10 CO -0.06 -1.64 0.11 -1.83 0.04 0.00 0.00 177.00 173.62 1suh s GLU 11 N -4.61 2.11 -1.19 4.56 -1.05 -1.25 -3.00 118.70 114.28 1suh s GLU 11 Ca 0.64 -1.96 -0.01 0.00 -0.15 0.00 0.00 54.97 53.49 1suh s GLU 11 Cb -0.19 -1.84 0.01 0.00 -0.44 0.00 0.00 34.13 31.67 1suh s GLU 11 CO 0.52 -0.09 0.08 0.09 0.95 0.00 0.00 175.26 176.81 1suh n ASN 12 N -1.13 -4.22 -4.63 0.83 3.02 -1.08 -4.75 115.26 103.29 1suh n ASN 12 Ca -0.03 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 1suh n ASN 12 Cb 0.66 -3.56 -0.03 0.00 -0.61 0.00 0.00 39.78 36.24 1suh n ASN 12 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1suh s GLU 13 N -5.17 3.82 0.54 3.52 2.56 -1.26 -4.98 118.70 117.72 1suh s GLU 13 Ca 0.06 1.90 0.02 0.00 0.00 0.00 0.00 54.97 56.94 1suh s GLU 13 Cb -0.03 -4.08 0.03 0.00 2.00 0.00 0.00 34.13 32.05 1suh s GLU 13 CO 0.07 -1.28 0.76 -1.59 -0.56 0.00 0.00 175.26 172.66 1suh s LYS 14 N 4.75 2.58 0.00 4.30 -2.85 -1.26 -4.72 119.74 122.54 1suh s LYS 14 Ca 0.77 -0.81 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 1suh s LYS 14 Cb -0.29 -2.51 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1suh s LYS 14 CO 0.31 -0.67 0.00 0.41 0.10 0.00 0.00 175.35 175.50 1suh n GLY 15 N -2.30 0.17 3.63 0.59 0.00 -1.26 -4.99 105.19 101.03 1suh n GLY 15 Ca 0.08 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 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 4.02 0.42 1.61 2.02 -1.26 -5.08 118.70 120.43 1suh s GLU 16 Ca 0.00 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 1suh s GLU 16 Cb 0.00 -3.59 -0.05 0.00 0.10 0.00 0.00 34.13 30.59 1suh s GLU 16 CO 0.00 -0.05 0.74 -0.06 0.02 0.00 0.00 175.26 175.91 1suh s PHE 17 N 1.39 3.52 1.08 1.61 0.40 -1.26 -4.42 117.98 120.29 1suh s PHE 17 Ca 0.08 0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 57.09 1suh s PHE 17 Cb -0.15 -2.31 0.25 0.00 0.51 0.00 0.00 43.02 41.32 1suh s PHE 17 CO 0.07 -0.14 1.25 -1.25 0.70 0.00 0.00 175.22 175.86 1suh s PRO 18 N -4.23 -0.26 -0.01 0.24 0.04 -1.26 -5.09 135.00 124.42 1suh s PRO 18 Ca 0.48 -0.35 -0.00 0.00 0.04 0.00 0.00 61.00 61.17 1suh s PRO 18 Cb -0.10 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.71 1suh s PRO 18 CO 0.37 -3.03 0.02 0.21 0.04 0.00 0.00 177.00 174.61 1suh s LYS 19 N -5.75 -0.01 0.27 4.56 2.20 -0.03 -4.95 119.74 116.03 1suh s LYS 19 Ca 0.74 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 56.13 1suh s LYS 19 Cb -0.05 -0.08 -0.09 0.00 -1.51 0.00 0.00 37.83 36.09 1suh s LYS 19 CO 0.54 -0.06 1.07 -0.80 -0.36 0.00 0.00 175.35 175.74 1suh s ASN 20 N 0.38 7.34 0.10 1.43 -0.87 -1.26 -0.60 114.94 121.46 1suh s ASN 20 Ca -0.03 2.21 0.00 0.00 -1.57 0.00 0.00 52.86 53.47 1suh s ASN 20 Cb -0.05 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.56 1suh s ASN 20 CO -0.01 -0.09 0.00 0.18 -2.57 0.00 0.00 177.10 174.61 1suh n LEU 21 N 1.23 0.96 -3.92 0.60 7.99 -0.20 -4.91 117.00 118.76 1suh n LEU 21 Ca -0.01 0.15 -0.09 0.00 -0.01 0.00 0.00 56.01 56.04 1suh n LEU 21 Cb 0.45 -0.28 -0.08 0.00 -0.11 0.00 0.00 43.42 43.41 1suh n LEU 21 CO 0.53 -0.70 -0.10 0.54 -1.51 0.00 0.00 177.39 176.15 1suh s VAL 22 N -2.00 0.12 0.11 4.08 0.11 -0.97 -5.01 120.40 116.84 1suh s VAL 22 Ca 0.00 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.72 1suh s VAL 22 Cb 0.00 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 1suh s VAL 22 CO 0.00 -0.56 0.27 -1.58 -3.33 0.00 0.00 175.10 169.90 1suh s GLN 23 N -3.91 3.46 0.28 1.54 0.74 -1.26 0.14 119.66 120.64 1suh s GLN 23 Ca 0.10 -0.46 -0.10 0.00 0.05 0.00 0.00 55.36 54.95 1suh s GLN 23 Cb 0.05 -2.98 -0.07 0.00 1.10 0.00 0.00 33.01 31.11 1suh s GLN 23 CO -0.07 0.55 0.61 0.42 -0.55 0.00 0.00 175.29 176.24 1suh s ILE 24 N -1.64 4.89 -0.02 -2.34 1.09 0.33 -4.79 121.20 118.73 1suh s ILE 24 Ca 0.36 0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 60.39 1suh s ILE 24 Cb -0.12 -3.65 0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1suh s ILE 24 CO 0.28 -0.19 0.03 -0.54 -0.10 0.00 0.00 174.94 174.42 1suh s LYS 25 N -3.11 0.01 0.00 2.79 1.02 -1.26 -4.84 119.74 114.35 1suh s LYS 25 Ca 0.48 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1suh s LYS 25 Cb -0.11 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.13 1suh s LYS 25 CO 0.23 -0.06 0.00 0.45 -0.92 0.00 0.00 175.35 175.06 1suh n SER 26 N 3.44 0.00 0.00 2.83 2.88 -1.26 -4.71 113.62 116.79 1suh n SER 26 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1suh n SER 26 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 0.00 -3.46 2.85 -1.26 -4.48 115.26 108.90 1suh n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1suh n ASN 27 Cb 0.00 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.21 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1suh n ARG 28 N -1.91 0.00 0.00 1.20 5.12 -1.26 -2.72 116.66 117.09 1suh n ARG 28 Ca 0.00 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 1suh n ARG 28 Cb 0.00 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 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 -1.28 0.06 -0.46 0.55 5.75 -1.26 -1.46 116.55 118.44 1suh n ASP 29 Ca 0.00 -0.19 0.05 0.00 -0.01 0.00 0.00 54.79 54.63 1suh n ASP 29 Cb 0.04 -0.03 0.08 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.07 1.54 0.00 0.11 5.02 -1.10 -4.70 118.16 119.10 1suh n LYS 30 Ca 0.00 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.80 1suh n LYS 30 Cb 0.01 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.45 4.35 -3.66 1.97 0.28 -0.54 -5.10 120.64 118.40 1suh n GLU 31 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.98 1suh n GLU 31 Cb 0.31 -0.45 -0.08 0.00 1.43 0.00 0.00 31.44 32.66 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 -0.19 -0.01 -0.39 3.84 -1.32 -1.19 -5.08 115.64 111.30 1suh s THR 32 Ca 0.00 0.02 -0.38 0.00 -1.21 0.00 0.00 61.69 60.12 1suh s THR 32 Cb 0.00 -0.88 -0.14 0.00 -1.51 0.00 0.00 72.50 69.97 1suh s THR 32 CO 0.00 0.01 2.17 1.17 -2.21 0.00 0.00 174.62 175.76 1suh n LYS 33 N 3.91 0.75 -3.70 7.08 4.81 -1.26 -4.49 118.16 125.26 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 -2.16 -0.07 0.00 0.02 0.00 0.00 35.03 33.39 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 6.86 5.38 0.31 3.15 0.11 -1.26 -0.53 120.40 134.41 1suh s VAL 34 Ca 1.13 0.33 0.03 0.00 -2.93 0.00 0.00 61.98 60.53 1suh s VAL 34 Cb -1.06 -3.51 -0.03 0.00 -1.53 0.00 0.00 36.38 30.26 1suh s VAL 34 CO 0.54 0.48 0.47 -0.36 -3.33 0.00 0.00 175.10 172.91 1suh s PHE 35 N -0.06 3.43 0.33 1.54 0.40 0.29 -4.89 117.98 119.02 1suh s PHE 35 Ca 0.13 0.15 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 1suh s PHE 35 Cb -0.12 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1suh s PHE 35 CO 0.02 0.21 0.04 0.71 0.70 0.00 0.00 175.22 176.90 1suh s TYR 36 N -2.18 2.60 0.01 0.36 2.02 0.11 -1.21 117.35 119.06 1suh s TYR 36 Ca 0.38 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.51 1suh s TYR 36 Cb -0.09 -1.48 0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1suh s TYR 36 CO 0.33 0.47 0.39 -1.12 -1.57 0.00 0.00 175.55 174.05 1suh s SER 37 N -3.74 -0.27 0.02 2.29 0.01 -0.36 -4.27 113.70 107.38 1suh s SER 37 Ca 0.35 0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.68 1suh s SER 37 Cb -0.02 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.59 1suh s SER 37 CO 0.20 -0.58 -0.02 -0.51 0.41 0.00 0.00 173.24 172.74 1suh s ILE 38 N -1.97 0.11 0.14 1.44 -1.16 -1.26 -1.08 121.20 117.42 1suh s ILE 38 Ca -0.09 -0.88 -0.19 0.00 -0.51 0.00 0.00 60.65 58.98 1suh s ILE 38 Cb -0.02 -0.27 0.05 0.00 0.61 0.00 0.00 42.46 42.83 1suh s ILE 38 CO 0.01 -0.49 0.48 0.28 -2.81 0.00 0.00 174.94 172.42 1suh s THR 39 N -1.44 0.04 0.00 4.00 -1.32 0.39 -4.91 115.64 112.40 1suh s THR 39 Ca -0.16 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1suh s THR 39 Cb -0.10 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.76 1suh s THR 39 CO -0.01 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1suh n GLY 40 N -0.29 -0.08 3.65 6.08 0.00 -1.26 -0.92 105.19 112.37 1suh n GLY 40 Ca -0.16 -2.26 -0.53 0.00 0.00 0.00 0.00 46.02 43.07 1suh n GLY 40 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1suh n GLN 41 N 0.00 1.33 0.00 1.61 7.27 -1.24 -0.34 117.38 126.01 1suh n GLN 41 Ca 0.00 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1suh n GLN 41 Cb 0.00 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 30.48 1suh n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1suh n GLY 42 N 3.44 0.42 1.65 1.69 0.00 -0.55 -4.69 105.19 107.15 1suh n GLY 42 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.47 2.92 -0.05 4.61 0.00 0.54 -0.14 120.51 126.93 1suh n ALA 43 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 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 -2.38 0.31 -4.77 0.00 5.75 -0.73 -1.57 116.55 113.15 1suh n ASP 44 Ca 0.00 0.14 -0.29 0.00 -0.01 0.00 0.00 54.79 54.63 1suh n ASP 44 Cb 0.00 0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 40.82 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 -2.72 2.86 0.13 0.11 1.02 -1.02 -4.78 119.74 115.33 1suh s LYS 45 Ca -0.08 -0.74 -0.34 0.00 0.02 0.00 0.00 55.97 54.83 1suh s LYS 45 Cb 0.08 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.56 1suh s LYS 45 CO 0.84 0.54 1.62 -2.30 -0.92 0.00 0.00 175.35 175.13 1suh n PRO 46 N 0.28 2.14 -2.03 -1.68 -0.01 -1.26 -1.48 135.00 130.96 1suh n PRO 46 Ca -0.09 0.77 -0.42 0.00 -0.01 0.00 0.00 63.50 63.75 1suh n PRO 46 Cb 0.52 -2.55 -0.03 0.00 -0.01 0.00 0.00 33.50 31.44 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 1.34 4.19 -0.32 0.52 0.04 -1.26 -4.47 135.00 135.04 1suh s PRO 47 Ca 0.81 2.17 -0.28 0.00 0.04 0.00 0.00 61.00 63.74 1suh s PRO 47 Cb -0.68 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 29.94 1suh s PRO 47 CO 0.40 -0.82 1.03 0.08 0.04 0.00 0.00 177.00 177.73 1suh s VAL 48 N 3.84 4.55 0.00 -0.36 1.01 -1.03 -1.58 120.40 126.84 1suh s VAL 48 Ca 0.72 1.66 0.00 0.00 0.00 0.00 0.00 61.98 64.36 1suh s VAL 48 Cb -0.33 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1suh s VAL 48 CO 0.29 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1suh n GLY 49 N 3.91 -0.78 0.00 4.51 0.00 -0.61 -4.89 105.19 107.33 1suh n GLY 49 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.26 0.00 -4.24 1.61 0.31 0.80 -4.89 118.33 111.66 1suh n VAL 50 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1suh n VAL 50 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 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 -1.00 2.90 0.02 3.52 0.40 -0.17 -0.18 117.98 123.47 1suh s PHE 51 Ca 0.00 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1suh s PHE 51 Cb 0.00 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.98 1suh s PHE 51 CO 0.00 0.44 -0.01 0.96 0.70 0.00 0.00 175.22 177.31 1suh s ILE 52 N -1.19 0.10 0.01 0.64 -4.36 0.41 -4.80 121.20 112.01 1suh s ILE 52 Ca 0.22 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 1suh s ILE 52 Cb -0.11 -0.27 -0.01 0.00 1.25 0.00 0.00 42.46 43.31 1suh s ILE 52 CO 0.14 -0.47 -0.04 -0.63 0.24 0.00 0.00 174.94 174.18 1suh s ILE 53 N -1.40 0.30 -0.53 8.37 1.01 -1.26 -0.46 121.20 127.23 1suh s ILE 53 Ca -0.15 -0.53 -0.28 0.00 0.00 0.00 0.00 60.65 59.68 1suh s ILE 53 Cb -0.09 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.07 1suh s ILE 53 CO -0.01 -0.16 1.28 -1.61 0.00 0.00 0.00 174.94 174.44 1suh s GLU 54 N -0.73 3.51 0.59 2.79 0.41 -0.59 -4.85 118.70 119.82 1suh s GLU 54 Ca -0.05 0.47 0.30 0.00 -0.41 0.00 0.00 54.97 55.29 1suh s GLU 54 Cb -0.05 -4.03 1.23 0.00 -1.78 0.00 0.00 34.13 29.51 1suh s GLU 54 CO -0.00 -1.68 1.57 0.00 -0.49 0.00 0.00 175.26 174.66 1suh h ARG 55 N 10.08 0.00 0.00 1.61 3.08 -1.92 1.60 114.38 128.83 1suh h ARG 55 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1suh h ARG 55 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1suh h ARG 55 CO 1.16 0.00 -0.14 0.39 -1.07 0.00 0.00 179.97 180.31 1suh n GLU 56 N -3.52 0.10 0.00 0.04 1.02 -1.26 -0.72 120.64 116.30 1suh n GLU 56 Ca 0.20 0.22 0.01 0.00 -0.02 0.00 0.00 57.16 57.57 1suh n GLU 56 Cb 1.25 -0.86 0.08 0.00 -0.02 0.00 0.00 31.44 31.89 1suh n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1suh n THR 57 N -2.81 0.00 -0.81 2.62 -2.24 -1.11 -4.73 114.28 105.20 1suh n THR 57 Ca -0.02 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1suh n THR 57 Cb 0.07 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.51 0.26 3.65 3.38 0.00 0.54 -4.58 105.19 108.96 1suh n GLY 58 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.96 1.27 -0.35 1.61 0.23 -1.25 -0.51 118.94 118.98 1suh s TRP 59 Ca 0.00 -0.28 -0.24 0.00 -2.03 0.00 0.00 56.10 53.55 1suh s TRP 59 Cb 0.00 -4.19 0.01 0.00 0.03 0.00 0.00 33.47 29.32 1suh s TRP 59 CO 0.00 -5.29 0.83 -1.17 0.96 0.00 0.00 176.95 172.28 1suh s LEU 60 N 5.15 4.07 0.18 2.99 0.20 0.36 -1.55 118.68 130.09 1suh s LEU 60 Ca 0.90 0.53 0.09 0.00 0.69 0.00 0.00 54.13 56.35 1suh s LEU 60 Cb -0.41 -3.12 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 1suh s LEU 60 CO 0.40 -0.74 -0.19 -0.54 -0.29 0.00 0.00 176.35 174.99 1suh s LYS 61 N 3.18 1.36 -0.01 1.98 1.02 0.40 -1.03 119.74 126.64 1suh s LYS 61 Ca 0.34 -1.47 0.07 0.00 0.02 0.00 0.00 55.97 54.93 1suh s LYS 61 Cb -0.13 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1suh s LYS 61 CO 0.16 0.30 -0.21 0.14 -0.92 0.00 0.00 175.35 174.82 1suh s VAL 62 N -2.05 2.51 -0.07 3.17 -7.23 0.23 -0.45 120.40 116.52 1suh s VAL 62 Ca 0.18 -1.05 0.14 0.00 -1.81 0.00 0.00 61.98 59.44 1suh s VAL 62 Cb -0.06 -1.96 -0.22 0.00 0.56 0.00 0.00 36.38 34.70 1suh s VAL 62 CO 0.08 0.51 0.62 0.35 -0.31 0.00 0.00 175.10 176.35 1suh n THR 63 N 2.13 1.52 -5.06 5.32 -2.24 0.74 -0.85 114.28 115.85 1suh n THR 63 Ca -0.16 -0.79 -0.28 0.00 -2.27 0.00 0.00 64.05 60.55 1suh n THR 63 Cb 0.52 -0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.64 1.77 1.09 -0.78 -0.21 -1.18 -4.72 119.66 112.99 1suh s GLN 64 Ca -0.05 -0.82 -0.12 0.00 0.02 0.00 0.00 55.36 54.39 1suh s GLN 64 Cb 0.08 -1.73 0.24 0.00 1.00 0.00 0.00 33.01 32.60 1suh s GLN 64 CO 0.82 0.47 1.06 -1.25 -2.12 0.00 0.00 175.29 174.27 1suh s PRO 65 N -0.60 -0.33 0.45 2.91 0.04 -1.26 -4.96 135.00 131.24 1suh s PRO 65 Ca 0.09 0.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 1suh s PRO 65 Cb -0.09 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1suh s PRO 65 CO -0.01 -3.34 0.69 -0.51 0.04 0.00 0.00 177.00 173.87 1suh s LEU 66 N -6.97 3.67 -0.36 -3.56 2.01 -1.16 -4.81 118.68 107.51 1suh s LEU 66 Ca 0.67 0.45 -0.00 0.00 0.01 0.00 0.00 54.13 55.27 1suh s LEU 66 Cb -0.23 -3.33 0.12 0.00 0.01 0.00 0.00 46.19 42.76 1suh s LEU 66 CO 0.62 -0.64 0.18 -0.62 1.01 0.00 0.00 176.35 176.90 1suh s ASP 67 N -4.17 3.44 0.59 2.29 -1.08 -1.26 -2.63 116.67 113.85 1suh s ASP 67 Ca 0.47 -2.05 0.29 0.00 -0.52 0.00 0.00 52.55 50.74 1suh s ASP 67 Cb -0.10 -0.65 1.51 0.00 -1.46 0.00 0.00 42.92 42.23 1suh s ASP 67 CO 0.39 -0.34 1.94 -0.09 0.52 0.00 0.00 175.17 177.59 1suh h ARG 68 N 7.38 0.00 0.00 4.34 2.43 -1.94 0.36 114.38 126.95 1suh h ARG 68 Ca -0.04 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1suh h ARG 68 Cb 0.97 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1suh h ARG 68 CO 0.39 0.00 -0.58 0.93 -1.51 0.00 0.00 179.97 179.20 1suh h GLU 69 N 0.00 0.00 0.00 0.20 4.39 -2.01 -3.34 114.58 113.82 1suh h GLU 69 Ca 0.18 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.60 1suh h GLU 69 Cb 1.03 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 1suh h GLU 69 CO -0.00 0.58 -1.68 0.00 -1.16 0.00 0.00 179.01 176.75 1suh n ALA 70 N -2.34 0.92 -3.64 3.43 0.00 0.94 -4.93 120.51 114.88 1suh n ALA 70 Ca -0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 53.44 52.48 1suh n ALA 70 Cb 0.64 -0.20 -0.17 0.00 0.00 0.00 0.00 19.45 19.73 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 -2.45 -0.15 -2.26 0.00 1.01 0.65 -4.99 121.20 113.01 1suh s ILE 71 Ca -0.32 0.24 0.28 0.00 0.00 0.00 0.00 60.65 60.85 1suh s ILE 71 Cb 0.09 -0.31 0.48 0.00 0.01 0.00 0.00 42.46 42.72 1suh s ILE 71 CO 0.51 0.04 1.71 0.00 0.00 0.00 0.00 174.94 177.20 1suh n ALA 72 N 5.30 2.72 -3.59 9.38 0.00 -1.25 -3.93 120.51 129.14 1suh n ALA 72 Ca -0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 52.97 1suh n ALA 72 Cb 0.50 -1.17 -0.04 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 -2.15 0.54 -0.12 0.00 2.20 -1.26 -0.21 119.74 118.73 1suh s LYS 73 Ca 0.34 1.34 -0.07 0.00 -0.36 0.00 0.00 55.97 57.22 1suh s LYS 73 Cb 0.21 0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 37.29 1suh s LYS 73 CO 0.39 -0.21 0.14 0.71 -0.36 0.00 0.00 175.35 176.02 1suh s TYR 74 N 2.84 3.59 -0.20 4.03 1.51 0.16 -4.94 117.35 124.34 1suh s TYR 74 Ca -0.04 0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 56.47 1suh s TYR 74 Cb -0.11 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 1suh s TYR 74 CO -0.19 0.70 0.07 0.42 -1.11 0.00 0.00 175.55 175.45 1suh s ILE 75 N -0.93 4.70 0.15 2.71 1.01 -1.26 -1.03 121.20 126.55 1suh s ILE 75 Ca 0.15 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.81 1suh s ILE 75 Cb -0.12 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1suh s ILE 75 CO 0.04 0.42 -0.17 -0.22 0.00 0.00 0.00 174.94 175.01 1suh s LEU 76 N 0.74 2.42 -0.18 2.97 2.96 -0.30 -3.72 118.68 123.57 1suh s LEU 76 Ca 0.04 -0.83 0.01 0.00 -0.22 0.00 0.00 54.13 53.12 1suh s LEU 76 Cb -0.13 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.85 1suh s LEU 76 CO 0.02 -0.07 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.49 1suh s TYR 77 N -2.03 2.67 0.24 5.38 1.51 -0.10 0.39 117.35 125.42 1suh s TYR 77 Ca 0.13 -1.58 0.07 0.00 -1.01 0.00 0.00 57.07 54.67 1suh s TYR 77 Cb -0.06 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1suh s TYR 77 CO 0.05 -0.78 0.20 -1.54 -1.11 0.00 0.00 175.55 172.37 1suh s SER 78 N 1.33 5.57 0.02 2.29 1.04 0.05 -0.46 113.70 123.54 1suh s SER 78 Ca 0.05 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1suh s SER 78 Cb -0.13 -1.44 -0.02 0.00 0.10 0.00 0.00 66.02 64.53 1suh s SER 78 CO -0.12 -0.03 -0.03 -1.00 0.98 0.00 0.00 173.24 173.04 1suh s HIS 79 N -2.08 0.31 0.02 5.02 3.76 -0.24 -3.19 115.29 118.89 1suh s HIS 79 Ca 0.33 -0.55 0.07 0.00 -0.15 0.00 0.00 55.06 54.75 1suh s HIS 79 Cb -0.08 -0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 1suh s HIS 79 CO 0.25 -0.19 -0.20 0.00 -0.85 0.00 0.00 174.74 173.75 1suh s ALA 80 N -1.56 1.71 0.04 -1.40 0.00 -1.26 -1.22 121.76 118.07 1suh s ALA 80 Ca -0.14 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1suh s ALA 80 Cb -0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1suh s ALA 80 CO -0.01 0.40 -0.07 0.14 0.00 0.00 0.00 175.76 176.22 1suh s VAL 81 N -0.65 0.46 0.13 0.00 -7.23 -0.35 0.29 120.40 113.05 1suh s VAL 81 Ca 0.08 -1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 1suh s VAL 81 Cb -0.08 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.24 1suh s VAL 81 CO 0.01 -0.40 0.84 -0.94 -0.31 0.00 0.00 175.10 174.29 1suh s SER 82 N -1.56 7.40 0.00 4.85 1.04 0.84 0.10 113.70 126.36 1suh s SER 82 Ca -0.11 1.66 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1suh s SER 82 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1suh s SER 82 CO 0.00 0.08 0.00 -1.54 0.98 0.00 0.00 173.24 172.76 1suh n SER 83 N 2.23 0.00 -0.01 7.02 3.41 0.31 -1.03 113.62 125.55 1suh n SER 83 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1suh n SER 83 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1suh n SER 83 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1suh n ASN 84 N -0.13 1.19 0.00 4.04 6.94 -1.26 -4.98 115.26 121.06 1suh n ASN 84 Ca 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 1suh n ASN 84 Cb 0.00 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1suh n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1suh n GLY 85 N -0.08 0.72 3.46 4.83 0.00 -0.20 -5.06 105.19 108.86 1suh n GLY 85 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.82 3.00 0.16 1.61 0.41 -1.23 -4.92 118.70 116.91 1suh s GLU 86 Ca 0.00 -0.97 -0.32 0.00 -0.41 0.00 0.00 54.97 53.28 1suh s GLU 86 Cb 0.00 -3.98 -0.10 0.00 -1.78 0.00 0.00 34.13 28.27 1suh s GLU 86 CO 0.00 -0.78 1.59 0.00 -0.49 0.00 0.00 175.26 175.58 1suh s ALA 87 N 1.78 3.78 -0.03 5.21 0.00 -1.26 -0.11 121.76 131.12 1suh s ALA 87 Ca 0.07 1.37 0.22 0.00 0.00 0.00 0.00 51.96 53.62 1suh s ALA 87 Cb -0.19 -3.63 0.40 0.00 0.00 0.00 0.00 23.12 19.70 1suh s ALA 87 CO 0.11 -0.82 1.17 1.33 0.00 0.00 0.00 175.76 177.55 1suh n VAL 88 N 4.04 0.37 -1.87 0.00 0.24 -0.68 -4.83 118.33 115.60 1suh n VAL 88 Ca 0.14 -1.30 -0.29 0.00 -2.04 0.00 0.00 64.34 60.85 1suh n VAL 88 Cb 0.38 0.75 0.09 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.55 1.90 -0.27 7.34 4.04 0.83 -4.44 118.70 127.54 1suh s GLU 89 Ca 0.32 0.13 -0.24 0.00 0.04 0.00 0.00 54.97 55.22 1suh s GLU 89 Cb 0.36 -1.94 0.07 0.00 0.02 0.00 0.00 34.13 32.64 1suh s GLU 89 CO -0.14 -1.65 0.72 -0.51 -1.84 0.00 0.00 175.26 171.84 1suh s ASP 90 N -4.53 -0.77 -0.77 0.83 1.01 -1.26 -4.77 116.67 106.40 1suh s ASP 90 Ca 0.62 1.45 -0.23 0.00 0.71 0.00 0.00 52.55 55.10 1suh s ASP 90 Cb -0.11 1.45 -0.17 0.00 1.01 0.00 0.00 42.92 45.10 1suh s ASP 90 CO 0.49 -0.25 2.40 -2.65 0.21 0.00 0.00 175.17 175.38 1suh n PRO 91 N 2.86 0.52 -4.06 8.23 -0.01 -1.26 -4.58 135.00 136.70 1suh n PRO 91 Ca -0.15 -0.39 -0.34 0.00 -0.01 0.00 0.00 63.50 62.61 1suh n PRO 91 Cb 0.55 -2.91 -0.14 0.00 -0.01 0.00 0.00 33.50 30.99 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 8.42 3.31 -0.32 -0.52 -1.94 -1.19 -5.00 119.30 122.06 1suh s MET 92 Ca 1.06 -0.67 -0.16 0.00 -1.71 0.00 0.00 55.69 54.21 1suh s MET 92 Cb -0.39 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 1suh s MET 92 CO 0.26 -0.14 0.41 -1.83 -0.01 0.00 0.00 175.02 173.70 1suh s GLU 93 N 1.29 3.70 -0.19 2.03 4.04 -1.26 -0.77 118.70 127.55 1suh s GLU 93 Ca 0.03 -0.22 -0.15 0.00 0.04 0.00 0.00 54.97 54.68 1suh s GLU 93 Cb -0.14 -3.76 -0.04 0.00 0.02 0.00 0.00 34.13 30.20 1suh s GLU 93 CO -0.04 -0.49 0.34 0.42 -1.84 0.00 0.00 175.26 173.65 1suh s ILE 94 N 2.13 5.25 -0.40 1.83 1.01 0.16 -4.93 121.20 126.26 1suh s ILE 94 Ca 0.15 0.61 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 1suh s ILE 94 Cb -0.16 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1suh s ILE 94 CO 0.12 0.31 0.32 0.54 0.00 0.00 0.00 174.94 176.22 1suh s VAL 95 N 0.98 5.23 -0.31 2.92 0.11 -1.12 -1.15 120.40 127.06 1suh s VAL 95 Ca 0.17 -0.56 -0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1suh s VAL 95 Cb -0.14 -3.92 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 1suh s VAL 95 CO 0.06 -0.30 0.13 -0.63 -3.33 0.00 0.00 175.10 171.04 1suh s ILE 96 N 1.76 4.30 0.19 7.04 1.01 -0.20 -1.06 121.20 134.25 1suh s ILE 96 Ca 0.06 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1suh s ILE 96 Cb -0.19 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 1suh s ILE 96 CO 0.11 0.02 0.48 0.28 0.00 0.00 0.00 174.94 175.83 1suh s THR 97 N 1.55 5.02 0.18 2.92 -1.32 0.06 0.37 115.64 124.42 1suh s THR 97 Ca 0.03 0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 60.72 1suh s THR 97 Cb -0.17 -3.63 -0.07 0.00 -1.51 0.00 0.00 72.50 67.12 1suh s THR 97 CO 0.05 0.00 0.56 -0.69 -2.21 0.00 0.00 174.62 172.33 1suh s VAL 98 N -1.72 4.87 0.01 5.08 1.01 0.70 -0.43 120.40 129.92 1suh s VAL 98 Ca 0.44 0.72 0.07 0.00 0.00 0.00 0.00 61.98 63.21 1suh s VAL 98 Cb -0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1suh s VAL 98 CO 0.22 0.12 -0.19 -0.89 0.00 0.00 0.00 175.10 174.36 1suh s THR 99 N -1.61 2.67 0.00 3.92 2.01 -1.01 -4.86 115.64 116.77 1suh s THR 99 Ca 0.42 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1suh s THR 99 Cb -0.14 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1suh s THR 99 CO 0.20 0.45 0.00 0.47 -0.69 0.00 0.00 174.62 175.04 1suh n ASP 100 N 1.92 -0.52 -3.45 3.53 8.00 -1.26 -3.82 116.55 120.95 1suh n ASP 100 Ca -0.16 -0.02 -0.21 0.00 0.71 0.00 0.00 54.79 55.10 1suh n ASP 100 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1suh n ASP 100 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1suh s GLN 101 N -0.85 1.83 0.00 -1.24 -1.52 -1.26 -4.60 119.66 112.02 1suh s GLN 101 Ca 0.00 -2.08 0.00 0.00 -1.95 0.00 0.00 55.36 51.33 1suh s GLN 101 Cb 0.00 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 32.95 1suh s GLN 101 CO 0.00 -0.64 0.22 0.09 -0.25 0.00 0.00 175.29 174.71 1suh n ASN 102 N -1.59 0.00 -3.03 5.90 4.13 -1.26 -5.11 115.26 114.29 1suh n ASN 102 Ca 0.05 -1.00 -0.12 0.00 1.68 0.00 0.00 54.58 55.19 1suh n ASN 102 Cb 0.63 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.94 1suh n ASN 102 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1suh n ASP 103 N 0.00 0.33 0.00 6.41 2.03 -1.26 -5.34 116.55 118.72 1suh n ASP 103 Ca 0.00 -1.37 0.00 0.00 0.52 0.00 0.00 54.79 53.94 1suh n ASP 103 Cb 0.40 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1suh n ASP 103 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08