#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 2.51 -0.36 1.24 0.52 -1.26 -4.83 118.94 116.76 1suh s TRP 2 Ca 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 56.10 55.34 1suh s TRP 2 Cb 0.00 -4.66 0.19 0.00 -1.15 0.00 0.00 33.47 27.85 1suh s TRP 2 CO 0.00 -1.91 0.67 0.14 0.02 0.00 0.00 176.95 175.87 1suh s VAL 3 N 5.26 -0.90 -0.43 4.03 -7.23 -1.26 -4.25 120.40 115.61 1suh s VAL 3 Ca 0.49 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.73 1suh s VAL 3 Cb 0.00 -0.36 0.18 0.00 0.56 0.00 0.00 36.38 36.76 1suh s VAL 3 CO -0.07 0.00 0.64 -0.51 -0.31 0.00 0.00 175.10 174.84 1suh s ILE 4 N 2.26 -0.95 0.18 -0.62 1.10 -1.26 -5.03 121.20 116.88 1suh s ILE 4 Ca 0.14 -0.32 -0.10 0.00 -0.51 0.00 0.00 60.65 59.86 1suh s ILE 4 Cb -0.05 -0.05 0.09 0.00 0.15 0.00 0.00 42.46 42.59 1suh s ILE 4 CO -0.15 -0.05 1.71 -0.65 -2.11 0.00 0.00 174.94 173.69 1suh h PRO 5 N 6.52 1.01 -6.67 3.50 0.11 -1.94 -3.44 132.00 131.09 1suh h PRO 5 Ca 0.06 -0.23 -0.52 0.00 0.11 0.00 0.00 66.00 65.41 1suh h PRO 5 Cb 1.15 -0.14 0.04 0.00 0.11 0.00 0.00 31.00 32.16 1suh h PRO 5 CO 0.09 0.90 0.70 -1.25 -0.21 0.00 0.00 178.00 178.22 1suh s PRO 6 N -5.37 4.34 0.23 1.05 0.05 -1.26 -2.80 135.00 131.24 1suh s PRO 6 Ca -0.12 2.13 0.00 0.00 0.05 0.00 0.00 61.00 63.06 1suh s PRO 6 Cb 0.14 -3.18 -0.04 0.00 0.05 0.00 0.00 34.50 31.47 1suh s PRO 6 CO 0.82 -0.34 0.13 0.42 0.05 0.00 0.00 177.00 178.09 1suh s ILE 7 N 0.27 0.14 0.02 0.56 -1.09 -0.14 -4.99 121.20 115.97 1suh s ILE 7 Ca 0.59 -2.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.04 1suh s ILE 7 Cb -0.38 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1suh s ILE 7 CO 0.38 0.00 -0.09 -0.94 -1.23 0.00 0.00 174.94 173.05 1suh s SER 8 N -3.22 1.10 -0.07 3.58 1.04 -1.26 -0.66 113.70 114.21 1suh s SER 8 Ca 0.39 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1suh s SER 8 Cb 0.07 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.15 1suh s SER 8 CO 0.14 0.01 0.02 0.00 0.98 0.00 0.00 173.24 174.38 1suh s PRO 10 N 2.01 1.95 0.15 0.00 0.02 -1.26 -1.98 135.00 135.89 1suh s PRO 10 Ca 0.05 1.70 0.04 0.00 0.02 0.00 0.00 61.00 62.81 1suh s PRO 10 Cb -0.12 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1suh s PRO 10 CO -0.05 -1.97 0.18 -2.00 -0.33 0.00 0.00 177.00 172.83 1suh s GLU 11 N -4.08 3.09 -0.93 5.54 2.12 -1.21 -3.19 118.70 120.05 1suh s GLU 11 Ca 0.73 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 55.21 1suh s GLU 11 Cb -0.28 -2.77 0.01 0.00 0.26 0.00 0.00 34.13 31.35 1suh s GLU 11 CO 0.48 0.51 0.65 0.09 -0.54 0.00 0.00 175.26 176.45 1suh n ASN 12 N -0.32 -5.14 -4.58 -1.70 3.02 -1.08 -4.72 115.26 100.73 1suh n ASN 12 Ca -0.08 -0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 53.12 1suh n ASN 12 Cb 0.54 -2.33 -0.05 0.00 -0.61 0.00 0.00 39.78 37.33 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 -5.31 3.69 0.15 3.52 2.02 -1.26 -4.72 118.70 116.79 1suh s GLU 13 Ca 0.15 0.21 -0.13 0.00 0.02 0.00 0.00 54.97 55.22 1suh s GLU 13 Cb -0.07 -3.83 -0.07 0.00 0.10 0.00 0.00 34.13 30.26 1suh s GLU 13 CO 0.89 -0.87 0.54 -1.59 0.02 0.00 0.00 175.26 174.25 1suh s LYS 14 N 3.07 3.94 0.00 1.61 -2.85 -1.26 -4.90 119.74 119.35 1suh s LYS 14 Ca 0.30 0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 1suh s LYS 14 Cb -0.13 -2.90 0.00 0.00 -2.06 0.00 0.00 37.83 32.73 1suh s LYS 14 CO 0.17 0.47 0.00 0.41 0.10 0.00 0.00 175.35 176.50 1suh n GLY 15 N 0.70 0.47 3.36 0.59 0.00 -1.26 -5.08 105.19 103.97 1suh n GLY 15 Ca -0.05 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.15 2.27 0.20 1.61 2.02 -1.26 -5.14 118.70 117.26 1suh s GLU 16 Ca 0.00 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.21 1suh s GLU 16 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1suh s GLU 16 CO 0.00 0.56 0.05 -0.06 0.02 0.00 0.00 175.26 175.83 1suh s PHE 17 N -0.60 2.90 0.79 1.61 0.40 -1.26 -4.19 117.98 117.62 1suh s PHE 17 Ca 0.09 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 1suh s PHE 17 Cb -0.11 -1.37 0.06 0.00 0.51 0.00 0.00 43.02 42.12 1suh s PHE 17 CO -0.00 0.54 1.08 -1.25 0.70 0.00 0.00 175.22 176.29 1suh s PRO 18 N -3.22 2.16 -0.14 0.24 0.04 -1.26 -5.11 135.00 127.70 1suh s PRO 18 Ca 0.29 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1suh s PRO 18 Cb -0.09 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1suh s PRO 18 CO 0.20 -1.63 -0.15 0.21 0.04 0.00 0.00 177.00 175.68 1suh s LYS 19 N -5.02 3.28 0.69 4.56 2.20 -0.06 -4.93 119.74 120.45 1suh s LYS 19 Ca 0.61 -0.73 -0.13 0.00 -0.36 0.00 0.00 55.97 55.36 1suh s LYS 19 Cb -0.16 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.56 1suh s LYS 19 CO 0.55 0.10 1.08 -0.80 -0.36 0.00 0.00 175.35 175.93 1suh s ASN 20 N 0.61 5.10 0.00 1.43 0.01 -1.26 -0.68 114.94 120.14 1suh s ASN 20 Ca -0.08 1.82 0.00 0.00 -0.71 0.00 0.00 52.86 53.89 1suh s ASN 20 Cb -0.16 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1suh s ASN 20 CO 0.03 -1.64 0.00 0.18 -1.51 0.00 0.00 177.10 174.16 1suh n LEU 21 N -2.88 0.00 -3.44 0.60 4.77 0.14 -4.84 117.00 111.36 1suh n LEU 21 Ca 0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1suh n LEU 21 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1suh n LEU 21 CO 0.51 -0.49 0.45 0.54 -1.33 0.00 0.00 177.39 177.08 1suh s VAL 22 N -0.97 0.00 0.41 4.08 0.11 -1.02 -4.98 120.40 118.03 1suh s VAL 22 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1suh s VAL 22 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1suh s VAL 22 CO 0.00 0.00 1.11 -1.10 -3.33 0.00 0.00 175.10 171.78 1suh s GLN 23 N -3.53 4.03 0.56 1.54 -0.21 -1.26 -0.09 119.66 120.70 1suh s GLN 23 Ca 0.01 1.66 -0.03 0.00 0.02 0.00 0.00 55.36 57.02 1suh s GLN 23 Cb -0.01 -2.54 0.02 0.00 1.00 0.00 0.00 33.01 31.48 1suh s GLN 23 CO -0.11 -0.29 0.83 0.42 -2.12 0.00 0.00 175.29 174.02 1suh s ILE 24 N -1.57 3.34 -0.03 1.08 -1.09 0.88 -4.81 121.20 119.00 1suh s ILE 24 Ca 0.59 -0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 1suh s ILE 24 Cb -0.26 -3.30 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1suh s ILE 24 CO 0.32 -0.27 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.20 1suh s LYS 25 N -4.87 0.50 0.00 2.79 -0.14 -1.26 -4.85 119.74 111.90 1suh s LYS 25 Ca 0.54 -0.02 0.00 0.00 -1.36 0.00 0.00 55.97 55.13 1suh s LYS 25 Cb -0.10 -0.59 0.00 0.00 -1.68 0.00 0.00 37.83 35.46 1suh s LYS 25 CO 0.42 -0.08 0.00 0.45 -0.76 0.00 0.00 175.35 175.37 1suh n SER 26 N 3.95 0.00 0.00 2.83 2.88 -1.26 -4.70 113.62 117.32 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 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.24 -3.46 4.05 -1.26 -4.26 115.26 110.09 1suh n ASN 27 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1suh n ASN 27 Cb 0.00 0.44 0.00 0.00 1.23 0.00 0.00 39.78 41.45 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 -2.41 0.79 0.00 1.20 5.12 -1.26 -4.05 116.66 116.05 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 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 -0.21 0.18 -0.00 0.55 5.75 -1.26 -1.52 116.55 120.03 1suh n ASP 29 Ca 0.00 -0.45 0.05 0.00 -0.01 0.00 0.00 54.79 54.39 1suh n ASP 29 Cb 0.10 -0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 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 0.20 1.02 -0.06 0.11 5.02 -1.26 -4.68 118.16 118.52 1suh n LYS 30 Ca 0.00 -0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 55.99 1suh n LYS 30 Cb 0.04 -1.21 -0.12 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.75 0.65 -3.43 1.97 0.28 -0.58 -5.03 120.64 112.75 1suh n GLU 31 Ca -0.01 0.41 -0.13 0.00 -0.16 0.00 0.00 57.16 57.27 1suh n GLU 31 Cb 0.26 -1.70 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 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 -2.46 0.00 -0.44 3.84 -1.32 -1.25 -5.08 115.64 108.93 1suh s THR 32 Ca -0.27 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 59.84 1suh s THR 32 Cb 0.07 -1.00 -0.14 0.00 -1.51 0.00 0.00 72.50 69.92 1suh s THR 32 CO 0.65 0.00 2.23 1.17 -2.21 0.00 0.00 174.62 176.46 1suh n LYS 33 N -0.23 0.75 -3.73 7.08 4.81 -1.26 -4.69 118.16 120.90 1suh n LYS 33 Ca -0.17 0.19 -0.36 0.00 -0.87 0.00 0.00 58.31 57.10 1suh n LYS 33 Cb 0.64 -2.22 -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 7.41 5.40 0.30 3.15 0.11 -1.26 -0.14 120.40 135.38 1suh s VAL 34 Ca 1.13 0.27 0.03 0.00 -2.93 0.00 0.00 61.98 60.48 1suh s VAL 34 Cb -1.00 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 30.34 1suh s VAL 34 CO 0.52 0.47 0.46 -0.36 -3.33 0.00 0.00 175.10 172.86 1suh s PHE 35 N 0.05 3.45 0.36 1.54 0.40 0.33 -4.89 117.98 119.22 1suh s PHE 35 Ca 0.11 0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.67 1suh s PHE 35 Cb -0.12 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1suh s PHE 35 CO 0.01 0.25 0.36 0.71 0.70 0.00 0.00 175.22 177.24 1suh s TYR 36 N -2.16 2.90 -0.07 0.36 2.02 -0.09 -1.13 117.35 119.18 1suh s TYR 36 Ca 0.38 -0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.56 1suh s TYR 36 Cb -0.09 -1.95 0.04 0.00 -0.40 0.00 0.00 41.96 39.56 1suh s TYR 36 CO 0.33 0.05 0.43 -1.54 -1.57 0.00 0.00 175.55 173.24 1suh s SER 37 N -4.08 -0.37 0.02 2.29 1.04 -0.58 -4.46 113.70 107.55 1suh s SER 37 Ca 0.44 0.47 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1suh s SER 37 Cb -0.06 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1suh s SER 37 CO 0.28 -0.40 -0.09 -0.51 0.98 0.00 0.00 173.24 173.50 1suh s ILE 38 N -0.83 0.71 0.14 -1.02 2.07 -1.26 -1.33 121.20 119.67 1suh s ILE 38 Ca -0.09 -0.66 -0.24 0.00 -1.41 0.00 0.00 60.65 58.25 1suh s ILE 38 Cb -0.04 -0.65 0.07 0.00 0.13 0.00 0.00 42.46 41.98 1suh s ILE 38 CO 0.04 0.01 0.66 0.28 -1.91 0.00 0.00 174.94 174.02 1suh s THR 39 N -0.61 0.00 0.00 4.00 -1.32 -0.01 -4.92 115.64 112.78 1suh s THR 39 Ca -0.00 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1suh s THR 39 Cb -0.06 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1suh s THR 39 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1suh n GLY 40 N -0.36 -1.30 3.50 6.08 0.00 -1.26 -0.88 105.19 110.96 1suh n GLY 40 Ca -0.15 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.10 0.81 0.00 1.61 7.27 -1.25 -0.95 117.38 124.77 1suh n GLN 41 Ca 0.00 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.19 1suh n GLN 41 Cb 0.00 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.08 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 6.34 1.11 1.57 1.69 0.00 -0.56 -4.34 105.19 111.00 1suh n GLY 42 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.03 4.61 0.00 -0.12 -1.11 120.51 126.85 1suh n ALA 43 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1suh n ALA 43 Cb 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.21 2.41 -4.84 0.00 5.75 -1.06 -1.55 116.55 114.05 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 0.08 1.04 -0.06 0.00 -1.03 0.00 0.00 41.12 41.16 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 -2.45 3.16 0.02 0.11 3.01 -1.05 -4.71 119.74 117.84 1suh s LYS 45 Ca -0.05 -0.53 -0.34 0.00 -1.01 0.00 0.00 55.97 54.04 1suh s LYS 45 Cb 0.05 -2.90 -0.13 0.00 -1.01 0.00 0.00 37.83 33.84 1suh s LYS 45 CO 0.45 0.61 1.74 -2.30 0.51 0.00 0.00 175.35 176.36 1suh n PRO 46 N 0.60 2.16 -1.96 -1.68 -0.01 -1.26 -1.49 135.00 131.35 1suh n PRO 46 Ca -0.08 0.79 -0.42 0.00 -0.01 0.00 0.00 63.50 63.77 1suh n PRO 46 Cb 0.52 -2.60 -0.03 0.00 -0.01 0.00 0.00 33.50 31.38 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 2.64 3.96 -0.43 0.52 0.04 -1.26 -4.62 135.00 135.85 1suh s PRO 47 Ca 0.86 2.07 -0.28 0.00 0.04 0.00 0.00 61.00 63.69 1suh s PRO 47 Cb -0.69 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 29.82 1suh s PRO 47 CO 0.45 -1.11 1.06 0.54 0.04 0.00 0.00 177.00 177.98 1suh s VAL 48 N 4.83 4.36 0.00 -0.36 0.11 -0.84 -2.38 120.40 126.12 1suh s VAL 48 Ca 0.77 1.23 0.00 0.00 -2.93 0.00 0.00 61.98 61.05 1suh s VAL 48 Cb -0.32 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.03 1suh s VAL 48 CO 0.31 -0.82 0.00 0.61 -3.33 0.00 0.00 175.10 171.88 1suh n GLY 49 N 4.62 -0.17 0.00 6.54 0.00 -0.60 -4.92 105.19 110.67 1suh n GLY 49 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1suh n GLY 49 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1suh n VAL 50 N -0.45 0.00 -5.19 1.61 3.14 -0.28 -4.76 118.33 112.41 1suh n VAL 50 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1suh n VAL 50 Cb 0.10 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.72 1suh n VAL 50 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1suh s PHE 51 N -1.00 2.48 -0.00 1.45 0.08 -0.27 -0.26 117.98 120.46 1suh s PHE 51 Ca 0.00 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.47 1suh s PHE 51 Cb 0.00 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1suh s PHE 51 CO 0.00 -0.13 -0.01 0.96 -0.10 0.00 0.00 175.22 175.94 1suh s ILE 52 N -0.30 0.10 0.12 0.64 -4.36 0.35 -4.61 121.20 113.14 1suh s ILE 52 Ca 0.01 -0.03 0.11 0.00 -0.26 0.00 0.00 60.65 60.47 1suh s ILE 52 Cb -0.13 -0.11 -0.04 0.00 1.25 0.00 0.00 42.46 43.44 1suh s ILE 52 CO 0.02 0.04 -0.27 0.27 0.24 0.00 0.00 174.94 175.25 1suh s ILE 53 N 0.09 2.23 -0.51 8.37 -5.25 -1.26 -0.29 121.20 124.58 1suh s ILE 53 Ca -0.01 -1.73 -0.29 0.00 -0.99 0.00 0.00 60.65 57.64 1suh s ILE 53 Cb -0.02 -1.97 0.03 0.00 2.95 0.00 0.00 42.46 43.45 1suh s ILE 53 CO -0.00 0.10 1.18 -0.70 -1.79 0.00 0.00 174.94 173.73 1suh s GLU 54 N -2.00 3.63 0.59 0.37 -6.30 -0.14 -4.87 118.70 109.98 1suh s GLU 54 Ca 0.14 0.48 0.30 0.00 -2.50 0.00 0.00 54.97 53.39 1suh s GLU 54 Cb -0.10 -3.96 1.23 0.00 0.00 0.00 0.00 34.13 31.31 1suh s GLU 54 CO 0.06 -1.51 1.56 -0.09 0.02 0.00 0.00 175.26 175.30 1suh h ARG 55 N 9.47 0.00 0.00 4.30 2.43 -1.91 1.12 114.38 129.78 1suh h ARG 55 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1suh h ARG 55 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1suh h ARG 55 CO 1.15 0.00 -0.05 0.39 -1.51 0.00 0.00 179.97 179.94 1suh n GLU 56 N -3.52 0.03 0.00 0.20 -0.58 -1.26 -0.91 120.64 114.60 1suh n GLU 56 Ca 0.20 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1suh n GLU 56 Cb 1.27 -0.61 0.00 0.00 -0.57 0.00 0.00 31.44 31.53 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 -2.57 0.00 -0.86 2.62 -2.24 -1.17 -4.80 114.28 105.26 1suh n THR 57 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1suh n THR 57 Cb 0.03 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.40 0.40 3.58 3.38 0.00 0.38 -4.33 105.19 109.01 1suh n GLY 58 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1suh n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1suh n TRP 59 N -1.15 1.82 -2.78 1.61 7.02 -1.24 -0.08 117.44 122.63 1suh n TRP 59 Ca -0.04 -0.04 -0.42 0.00 -1.02 0.00 0.00 57.50 55.97 1suh n TRP 59 Cb 0.20 -2.69 -0.03 0.00 -2.42 0.00 0.00 31.31 26.37 1suh n TRP 59 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1suh s LEU 60 N 9.06 4.19 0.14 -0.99 0.20 0.87 -0.97 118.68 131.18 1suh s LEU 60 Ca 1.01 1.34 0.04 0.00 0.69 0.00 0.00 54.13 57.21 1suh s LEU 60 Cb -0.35 -3.40 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 1suh s LEU 60 CO 0.35 -0.47 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.31 1suh s LYS 61 N 2.29 1.02 -0.03 1.98 1.02 0.61 0.24 119.74 126.87 1suh s LYS 61 Ca 0.43 -1.44 0.06 0.00 0.02 0.00 0.00 55.97 55.04 1suh s LYS 61 Cb -0.17 -0.51 -0.01 0.00 -0.52 0.00 0.00 37.83 36.62 1suh s LYS 61 CO 0.13 0.04 -0.20 0.14 -0.92 0.00 0.00 175.35 174.54 1suh s VAL 62 N -3.41 1.62 -0.19 3.17 -7.23 0.14 -0.50 120.40 114.00 1suh s VAL 62 Ca 0.16 -0.85 0.21 0.00 -1.81 0.00 0.00 61.98 59.68 1suh s VAL 62 Cb 0.03 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1suh s VAL 62 CO -0.00 0.46 0.95 0.35 -0.31 0.00 0.00 175.10 176.55 1suh n THR 63 N 2.78 0.80 -4.45 5.32 -2.24 0.65 -0.88 114.28 116.25 1suh n THR 63 Ca -0.16 -0.60 -0.22 0.00 -2.27 0.00 0.00 64.05 60.80 1suh n THR 63 Cb 0.53 -0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.22 1.29 1.02 -0.78 -0.21 -1.18 -4.77 119.66 111.81 1suh s GLN 64 Ca -0.02 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 54.93 1suh s GLN 64 Cb 0.09 -1.13 0.21 0.00 1.00 0.00 0.00 33.01 33.17 1suh s GLN 64 CO 0.80 0.05 1.09 -1.25 -2.12 0.00 0.00 175.29 173.86 1suh s PRO 65 N 0.53 0.16 0.53 2.91 0.04 -1.26 -4.92 135.00 133.00 1suh s PRO 65 Ca -0.10 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.22 1suh s PRO 65 Cb -0.13 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.79 1suh s PRO 65 CO 0.02 -3.12 0.74 -0.51 0.04 0.00 0.00 177.00 174.17 1suh s LEU 66 N -6.88 3.34 -0.40 -3.56 1.02 -1.19 -4.86 118.68 106.14 1suh s LEU 66 Ca 0.67 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.71 1suh s LEU 66 Cb -0.24 -2.77 0.14 0.00 0.02 0.00 0.00 46.19 43.34 1suh s LEU 66 CO 0.61 -1.10 0.23 -0.62 0.02 0.00 0.00 176.35 175.49 1suh s ASP 67 N -4.43 3.30 0.65 2.29 -1.08 -1.26 -2.65 116.67 113.50 1suh s ASP 67 Ca 0.57 -2.46 0.35 0.00 -0.52 0.00 0.00 52.55 50.49 1suh s ASP 67 Cb -0.10 -0.75 1.90 0.00 -1.46 0.00 0.00 42.92 42.51 1suh s ASP 67 CO 0.38 -0.28 2.10 -0.09 0.52 0.00 0.00 175.17 177.79 1suh h ARG 68 N 6.80 0.00 0.00 4.34 2.43 -1.86 0.27 114.38 126.35 1suh h ARG 68 Ca 0.03 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1suh h ARG 68 Cb 0.94 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1suh h ARG 68 CO 0.39 0.00 -0.70 0.93 -1.51 0.00 0.00 179.97 179.08 1suh h GLU 69 N 0.00 0.00 0.00 0.20 5.08 -1.97 -3.36 114.58 114.53 1suh h GLU 69 Ca 0.02 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.11 1suh h GLU 69 Cb 0.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1suh h GLU 69 CO -0.00 0.70 -1.65 0.00 -1.00 0.00 0.00 179.01 177.06 1suh n ALA 70 N -2.37 0.92 -4.07 3.43 0.00 0.68 -5.03 120.51 114.06 1suh n ALA 70 Ca -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.64 1suh n ALA 70 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 1suh n ALA 70 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1suh n ILE 71 N -4.39 0.00 -0.37 0.00 2.08 0.25 -5.07 119.36 111.86 1suh n ILE 71 Ca -0.36 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1suh n ILE 71 Cb 0.69 0.06 0.00 0.00 -0.75 0.00 0.00 39.64 39.65 1suh n ILE 71 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1suh n ALA 72 N -2.80 0.00 -3.64 -1.39 0.00 -1.26 -3.95 120.51 107.47 1suh n ALA 72 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1suh n ALA 72 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 0.63 -0.06 0.00 2.20 -1.26 -0.76 119.74 120.48 1suh s LYS 73 Ca 0.00 1.28 -0.04 0.00 -0.36 0.00 0.00 55.97 56.85 1suh s LYS 73 Cb 0.00 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 1suh s LYS 73 CO 0.00 -0.17 0.14 0.71 -0.36 0.00 0.00 175.35 175.68 1suh s TYR 74 N 2.18 3.52 -0.16 4.03 1.51 0.12 -4.93 117.35 123.61 1suh s TYR 74 Ca -0.08 0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 56.32 1suh s TYR 74 Cb -0.08 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1suh s TYR 74 CO -0.19 0.67 0.06 0.42 -1.11 0.00 0.00 175.55 175.39 1suh s ILE 75 N -1.16 4.76 -0.01 2.71 1.01 -1.26 -1.13 121.20 126.12 1suh s ILE 75 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1suh s ILE 75 Cb -0.12 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.24 1suh s ILE 75 CO 0.11 0.49 -0.00 -0.22 0.00 0.00 0.00 174.94 175.32 1suh s LEU 76 N 0.08 1.63 -0.18 2.97 2.96 -0.12 -3.93 118.68 122.10 1suh s LEU 76 Ca 0.05 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1suh s LEU 76 Cb -0.12 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.41 1suh s LEU 76 CO 0.01 -0.04 0.16 -0.31 -1.32 0.00 0.00 176.35 174.85 1suh s TYR 77 N 0.42 3.45 0.28 5.38 1.51 -0.06 0.12 117.35 128.45 1suh s TYR 77 Ca -0.04 0.41 0.11 0.00 -1.01 0.00 0.00 57.07 56.54 1suh s TYR 77 Cb -0.06 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 1suh s TYR 77 CO -0.01 0.34 -0.13 -1.54 -1.11 0.00 0.00 175.55 173.11 1suh s SER 78 N 0.18 3.91 0.03 2.29 1.04 -0.19 -0.83 113.70 120.13 1suh s SER 78 Ca 0.11 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1suh s SER 78 Cb -0.12 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.50 1suh s SER 78 CO -0.00 0.01 -0.04 -1.00 0.98 0.00 0.00 173.24 173.19 1suh s HIS 79 N -2.46 0.34 -0.18 5.02 3.76 -0.44 -3.18 115.29 118.15 1suh s HIS 79 Ca 0.31 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1suh s HIS 79 Cb -0.05 -0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.41 1suh s HIS 79 CO 0.17 -0.20 -0.17 0.00 -0.85 0.00 0.00 174.74 173.68 1suh s ALA 80 N -1.77 2.41 0.14 -1.40 0.00 -1.26 -1.53 121.76 118.35 1suh s ALA 80 Ca -0.12 -1.18 0.10 0.00 0.00 0.00 0.00 51.96 50.77 1suh s ALA 80 Cb -0.08 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1suh s ALA 80 CO -0.02 -0.29 -0.23 0.14 0.00 0.00 0.00 175.76 175.36 1suh s VAL 81 N 1.20 2.47 0.36 0.00 -7.23 -0.29 0.28 120.40 117.20 1suh s VAL 81 Ca 0.02 -1.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 1suh s VAL 81 Cb -0.14 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 1suh s VAL 81 CO -0.09 0.04 0.90 -0.94 -0.31 0.00 0.00 175.10 174.71 1suh s SER 82 N -2.23 7.06 0.00 4.85 1.04 -0.09 0.12 113.70 124.44 1suh s SER 82 Ca 0.17 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1suh s SER 82 Cb -0.10 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1suh s SER 82 CO 0.08 -0.21 0.14 -1.54 0.98 0.00 0.00 173.24 172.69 1suh n SER 83 N -0.10 0.00 -0.04 7.02 3.41 0.80 -1.07 113.62 123.64 1suh n SER 83 Ca 0.04 -0.12 0.02 0.00 -0.26 0.00 0.00 58.87 58.55 1suh n SER 83 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.57 0.47 0.00 4.04 6.94 -1.26 -4.99 115.26 119.89 1suh n ASN 84 Ca 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.83 1suh n ASN 84 Cb 0.00 0.79 0.00 0.00 -2.36 0.00 0.00 39.78 38.21 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 0.93 1.19 3.55 4.83 0.00 -0.24 -5.08 105.19 110.38 1suh n GLY 85 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.60 3.62 -0.17 1.61 0.41 -1.25 -4.90 118.70 117.42 1suh s GLU 86 Ca 0.00 -0.45 -0.29 0.00 -0.41 0.00 0.00 54.97 53.82 1suh s GLU 86 Cb 0.00 -3.78 -0.04 0.00 -1.78 0.00 0.00 34.13 28.53 1suh s GLU 86 CO 0.00 -0.43 1.78 0.00 -0.49 0.00 0.00 175.26 176.12 1suh s ALA 87 N 1.88 3.24 -0.11 5.21 0.00 -1.26 -0.91 121.76 129.81 1suh s ALA 87 Ca 0.09 0.68 0.15 0.00 0.00 0.00 0.00 51.96 52.89 1suh s ALA 87 Cb -0.17 -3.89 0.24 0.00 0.00 0.00 0.00 23.12 19.31 1suh s ALA 87 CO 0.11 -2.02 1.13 1.33 0.00 0.00 0.00 175.76 176.30 1suh n VAL 88 N 6.48 1.55 -1.83 0.00 0.24 -0.72 -4.93 118.33 119.13 1suh n VAL 88 Ca 0.21 -1.89 -0.29 0.00 -2.04 0.00 0.00 64.34 60.33 1suh n VAL 88 Cb 0.44 -0.10 0.10 0.00 -1.47 0.00 0.00 33.84 32.82 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 -2.36 1.72 -0.14 7.34 -1.05 0.78 -4.63 118.70 120.36 1suh s GLU 89 Ca 0.26 0.12 -0.13 0.00 -0.15 0.00 0.00 54.97 55.07 1suh s GLU 89 Cb 0.23 -1.92 0.04 0.00 -0.44 0.00 0.00 34.13 32.04 1suh s GLU 89 CO 0.02 -1.77 0.38 -0.51 0.95 0.00 0.00 175.26 174.33 1suh s ASP 90 N -4.49 -0.40 -0.85 0.83 1.01 -1.26 -4.79 116.67 106.72 1suh s ASP 90 Ca 0.63 0.76 -0.20 0.00 0.71 0.00 0.00 52.55 54.45 1suh s ASP 90 Cb -0.11 0.77 -0.21 0.00 1.01 0.00 0.00 42.92 44.38 1suh s ASP 90 CO 0.50 -0.13 2.33 -2.65 0.21 0.00 0.00 175.17 175.43 1suh n PRO 91 N 2.89 0.37 -3.77 8.23 -0.01 -1.26 -4.66 135.00 136.79 1suh n PRO 91 Ca -0.13 -0.49 -0.37 0.00 -0.01 0.00 0.00 63.50 62.50 1suh n PRO 91 Cb 0.57 -2.68 -0.13 0.00 -0.01 0.00 0.00 33.50 31.25 1suh n PRO 91 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.50 176.90 1suh s MET 92 N 8.23 2.89 -0.52 -0.52 1.75 -1.19 -5.01 119.30 124.93 1suh s MET 92 Ca 1.08 -0.99 -0.26 0.00 -1.25 0.00 0.00 55.69 54.27 1suh s MET 92 Cb -0.42 -3.39 0.03 0.00 2.84 0.00 0.00 34.83 33.90 1suh s MET 92 CO 0.27 -0.53 1.01 -1.21 -0.65 0.00 0.00 175.02 173.92 1suh s GLU 93 N 1.45 3.47 0.01 4.11 2.02 -1.26 -1.02 118.70 127.48 1suh s GLU 93 Ca 0.01 0.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.85 1suh s GLU 93 Cb -0.18 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.01 1suh s GLU 93 CO 0.02 -1.43 0.64 0.42 0.02 0.00 0.00 175.26 174.93 1suh s ILE 94 N 4.16 4.86 -0.16 -1.63 1.01 0.32 -4.93 121.20 124.83 1suh s ILE 94 Ca 0.37 1.35 -0.02 0.00 0.00 0.00 0.00 60.65 62.34 1suh s ILE 94 Cb -0.10 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1suh s ILE 94 CO 0.24 0.41 -0.07 0.54 0.00 0.00 0.00 174.94 176.06 1suh s VAL 95 N -0.17 3.52 -0.19 2.92 0.11 -1.12 -0.95 120.40 124.52 1suh s VAL 95 Ca 0.33 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1suh s VAL 95 Cb -0.19 -2.53 0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1suh s VAL 95 CO 0.19 0.49 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.66 1suh s ILE 96 N 0.52 2.43 0.21 7.04 1.01 -0.28 -0.97 121.20 131.16 1suh s ILE 96 Ca -0.05 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1suh s ILE 96 Cb -0.15 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.21 1suh s ILE 96 CO 0.03 0.51 0.50 0.28 0.00 0.00 0.00 174.94 176.26 1suh s THR 97 N 1.30 5.02 0.27 2.92 -1.32 0.16 0.11 115.64 124.10 1suh s THR 97 Ca 0.04 0.28 -0.11 0.00 -1.21 0.00 0.00 61.69 60.69 1suh s THR 97 Cb -0.13 -3.63 -0.08 0.00 -1.51 0.00 0.00 72.50 67.14 1suh s THR 97 CO -0.10 -0.07 0.61 -0.69 -2.21 0.00 0.00 174.62 172.16 1suh s VAL 98 N -1.81 4.85 0.07 5.08 1.01 0.06 -0.84 120.40 128.83 1suh s VAL 98 Ca 0.45 0.61 0.06 0.00 0.00 0.00 0.00 61.98 63.10 1suh s VAL 98 Cb -0.11 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1suh s VAL 98 CO 0.23 -0.13 -0.11 -0.89 0.00 0.00 0.00 175.10 174.21 1suh s THR 99 N -1.90 3.33 0.50 3.92 2.01 -0.84 -4.86 115.64 117.81 1suh s THR 99 Ca 0.49 -1.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1suh s THR 99 Cb -0.11 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.81 1suh s THR 99 CO 0.21 0.21 1.06 -0.62 -0.69 0.00 0.00 174.62 174.78 1suh s ASP 100 N -1.92 6.21 -0.36 3.53 2.15 -1.26 -3.33 116.67 121.69 1suh s ASP 100 Ca 0.19 1.99 0.05 0.00 0.43 0.00 0.00 52.55 55.21 1suh s ASP 100 Cb -0.11 -2.57 0.22 0.00 -0.30 0.00 0.00 42.92 40.17 1suh s ASP 100 CO 0.11 -0.88 1.20 1.67 -0.17 0.00 0.00 175.17 177.11 1suh n GLN 101 N -1.03 0.67 -1.84 4.34 7.27 -1.26 -4.74 117.38 120.79 1suh n GLN 101 Ca 0.10 -1.24 -0.39 0.00 0.07 0.00 0.00 57.00 55.54 1suh n GLN 101 Cb 0.52 -0.04 -0.03 0.00 2.41 0.00 0.00 30.24 33.11 1suh n GLN 101 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1suh s ASN 102 N -0.67 5.15 0.12 1.69 3.04 -1.26 -4.08 114.94 118.93 1suh s ASN 102 Ca 0.13 0.91 0.00 0.00 0.04 0.00 0.00 52.86 53.93 1suh s ASN 102 Cb 0.23 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.42 1suh s ASN 102 CO -0.05 -2.36 0.00 -0.67 -3.04 0.00 0.00 177.10 170.98 1suh n ASP 103 N 13.14 -1.10 0.00 -4.21 -0.08 -1.26 -5.23 116.55 117.81 1suh n ASP 103 Ca 0.27 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 1suh n ASP 103 Cb 0.51 1.28 0.00 0.00 2.34 0.00 0.00 41.12 45.25 1suh n ASP 103 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12