#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 2.33 -0.41 1.24 0.52 -1.26 -4.85 118.94 116.51 1suh s TRP 2 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 55.90 1suh s TRP 2 Cb 0.00 -4.62 0.18 0.00 -1.15 0.00 0.00 33.47 27.88 1suh s TRP 2 CO 0.00 -2.03 0.68 0.14 0.02 0.00 0.00 176.95 175.76 1suh s VAL 3 N 5.71 -0.92 -0.41 4.03 -7.23 -1.26 -4.33 120.40 115.99 1suh s VAL 3 Ca 0.41 -0.06 0.07 0.00 -1.81 0.00 0.00 61.98 60.58 1suh s VAL 3 Cb -0.05 0.00 0.18 0.00 0.56 0.00 0.00 36.38 37.07 1suh s VAL 3 CO 0.06 0.00 0.67 -0.51 -0.31 0.00 0.00 175.10 175.01 1suh s ILE 4 N 1.79 -0.95 0.15 -0.62 -1.16 -1.26 -5.04 121.20 114.11 1suh s ILE 4 Ca 0.17 -0.08 -0.12 0.00 -0.51 0.00 0.00 60.65 60.10 1suh s ILE 4 Cb -0.03 0.00 0.02 0.00 0.61 0.00 0.00 42.46 43.06 1suh s ILE 4 CO -0.08 0.00 1.60 -0.65 -2.81 0.00 0.00 174.94 173.00 1suh h PRO 5 N 6.73 0.87 -6.80 3.50 0.11 -1.96 -3.45 132.00 131.00 1suh h PRO 5 Ca 0.05 -0.28 -0.52 0.00 0.11 0.00 0.00 66.00 65.36 1suh h PRO 5 Cb 1.18 -0.08 0.04 0.00 0.11 0.00 0.00 31.00 32.25 1suh h PRO 5 CO 0.08 0.91 0.57 -1.25 -0.21 0.00 0.00 178.00 178.10 1suh s PRO 6 N -5.00 4.48 0.19 1.05 0.04 -1.26 -3.11 135.00 131.38 1suh s PRO 6 Ca -0.12 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1suh s PRO 6 Cb 0.12 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1suh s PRO 6 CO 0.82 -0.04 0.08 0.42 0.04 0.00 0.00 177.00 178.32 1suh s ILE 7 N -0.82 0.29 0.01 0.56 -1.09 0.65 -4.96 121.20 115.84 1suh s ILE 7 Ca 0.49 -1.97 0.03 0.00 -2.23 0.00 0.00 60.65 56.97 1suh s ILE 7 Cb -0.36 -2.32 -0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1suh s ILE 7 CO 0.44 -0.23 -0.10 -0.94 -1.23 0.00 0.00 174.94 172.88 1suh s SER 8 N -3.16 1.15 -0.05 3.58 1.04 -1.26 -0.69 113.70 114.31 1suh s SER 8 Ca 0.31 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1suh s SER 8 Cb 0.07 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1suh s SER 8 CO 0.08 0.03 0.02 0.00 0.98 0.00 0.00 173.24 174.35 1suh s PRO 10 N 1.79 2.48 0.17 0.00 0.02 -1.26 -2.14 135.00 136.04 1suh s PRO 10 Ca 0.01 1.92 0.08 0.00 0.02 0.00 0.00 61.00 63.02 1suh s PRO 10 Cb -0.13 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1suh s PRO 10 CO -0.04 -1.62 -0.03 -1.83 -0.33 0.00 0.00 177.00 173.16 1suh s GLU 11 N -3.56 2.30 -1.05 5.54 -1.05 -1.17 -3.04 118.70 116.67 1suh s GLU 11 Ca 0.79 -1.14 -0.07 0.00 -0.15 0.00 0.00 54.97 54.39 1suh s GLU 11 Cb -0.33 -2.31 -0.06 0.00 -0.44 0.00 0.00 34.13 30.99 1suh s GLU 11 CO 0.40 0.45 0.90 0.09 0.95 0.00 0.00 175.26 178.06 1suh n ASN 12 N -0.01 -6.55 -4.01 0.83 3.02 0.21 -4.42 115.26 104.33 1suh n ASN 12 Ca -0.10 -0.72 -0.31 0.00 -0.03 0.00 0.00 54.58 53.41 1suh n ASN 12 Cb 0.55 -5.01 -0.14 0.00 -0.61 0.00 0.00 39.78 34.57 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 -4.52 1.67 -0.17 3.52 -6.30 -1.26 -5.02 118.70 106.62 1suh s GLU 13 Ca 0.44 -2.08 -0.07 0.00 -2.50 0.00 0.00 54.97 50.76 1suh s GLU 13 Cb -0.07 -3.28 -0.04 0.00 0.00 0.00 0.00 34.13 30.74 1suh s GLU 13 CO 0.75 -1.00 0.08 -1.59 0.02 0.00 0.00 175.26 173.53 1suh s LYS 14 N 0.60 3.87 0.00 4.30 -2.85 -1.26 -4.55 119.74 119.85 1suh s LYS 14 Ca 0.12 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 1suh s LYS 14 Cb -0.21 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.34 1suh s LYS 14 CO -0.06 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.19 1suh n GLY 15 N 3.21 -0.39 3.89 0.59 0.00 -1.26 -5.14 105.19 106.09 1suh n GLY 15 Ca -0.17 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.65 0.04 1.61 2.56 -1.26 -5.10 118.70 120.20 1suh s GLU 16 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.97 54.94 1suh s GLU 16 Cb 0.00 -2.80 -0.03 0.00 2.00 0.00 0.00 34.13 33.30 1suh s GLU 16 CO 0.00 0.43 -0.02 -0.06 -0.56 0.00 0.00 175.26 175.05 1suh s PHE 17 N -1.70 0.38 0.75 5.30 0.08 -1.26 -4.28 117.98 117.24 1suh s PHE 17 Ca 0.42 -0.79 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 1suh s PHE 17 Cb -0.12 -0.28 0.04 0.00 -0.57 0.00 0.00 43.02 42.09 1suh s PHE 17 CO 0.24 -0.30 1.08 -1.25 -0.10 0.00 0.00 175.22 174.89 1suh s PRO 18 N -2.79 2.49 -0.32 0.24 0.04 -1.26 -5.13 135.00 128.27 1suh s PRO 18 Ca -0.04 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 61.85 1suh s PRO 18 Cb -0.00 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.61 1suh s PRO 18 CO -0.06 -1.41 0.11 0.21 0.04 0.00 0.00 177.00 175.89 1suh s LYS 19 N -5.03 2.96 0.52 4.56 2.20 0.09 -4.91 119.74 120.13 1suh s LYS 19 Ca 0.60 -0.95 -0.22 0.00 -0.36 0.00 0.00 55.97 55.04 1suh s LYS 19 Cb -0.15 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 1suh s LYS 19 CO 0.55 -0.53 1.24 -0.80 -0.36 0.00 0.00 175.35 175.45 1suh s ASN 20 N 1.49 5.66 0.03 1.43 0.01 -1.26 -0.59 114.94 121.71 1suh s ASN 20 Ca 0.02 2.48 0.00 0.00 -0.71 0.00 0.00 52.86 54.65 1suh s ASN 20 Cb -0.18 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.87 1suh s ASN 20 CO 0.03 -1.28 0.00 0.18 -1.51 0.00 0.00 177.10 174.52 1suh n LEU 21 N -0.90 0.27 -3.44 0.60 4.77 0.53 -4.85 117.00 113.98 1suh n LEU 21 Ca 0.10 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1suh n LEU 21 Cb 0.47 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1suh n LEU 21 CO 0.49 -0.57 0.38 0.54 -1.33 0.00 0.00 177.39 176.90 1suh s VAL 22 N -1.27 0.01 0.55 4.08 0.11 -0.97 -4.99 120.40 117.92 1suh s VAL 22 Ca 0.00 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 1suh s VAL 22 Cb 0.00 -1.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1suh s VAL 22 CO 0.00 -0.02 0.97 -1.10 -3.33 0.00 0.00 175.10 171.62 1suh s GLN 23 N -3.76 3.73 0.27 1.54 -0.21 -1.26 0.22 119.66 120.19 1suh s GLN 23 Ca 0.01 0.75 -0.10 0.00 0.02 0.00 0.00 55.36 56.05 1suh s GLN 23 Cb -0.01 -2.15 -0.07 0.00 1.00 0.00 0.00 33.01 31.78 1suh s GLN 23 CO -0.13 -0.39 0.60 0.42 -2.12 0.00 0.00 175.29 173.67 1suh s ILE 24 N -2.89 4.90 -0.14 1.08 -1.09 0.66 -4.79 121.20 118.93 1suh s ILE 24 Ca 0.55 0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 59.42 1suh s ILE 24 Cb -0.11 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 37.19 1suh s ILE 24 CO 0.44 -0.17 0.11 -0.54 -1.23 0.00 0.00 174.94 173.55 1suh s LYS 25 N -3.05 0.05 0.00 2.79 1.02 -1.26 -4.95 119.74 114.34 1suh s LYS 25 Ca 0.48 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.60 1suh s LYS 25 Cb -0.11 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1suh s LYS 25 CO 0.23 -0.56 0.00 0.45 -0.92 0.00 0.00 175.35 174.55 1suh n SER 26 N 5.30 0.00 0.00 2.83 2.88 -1.26 -4.22 113.62 119.15 1suh n SER 26 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 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 0.59 -1.23 0.00 0.00 175.04 174.40 1suh n ASN 27 N 0.00 0.96 0.00 -3.46 4.13 -1.26 -4.25 115.26 111.37 1suh n ASN 27 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1suh n ASN 27 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1suh n ASN 27 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1suh n ARG 28 N -2.70 0.00 0.00 3.52 1.74 -1.26 -2.08 116.66 115.87 1suh n ARG 28 Ca 0.00 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1suh n ARG 28 Cb 0.39 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1suh n ARG 28 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1suh n ASP 29 N -1.38 0.11 0.00 0.55 5.75 -1.26 -1.60 116.55 118.72 1suh n ASP 29 Ca 0.00 -0.51 0.11 0.00 -0.01 0.00 0.00 54.79 54.38 1suh n ASP 29 Cb 0.08 -0.06 -0.09 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 -0.12 0.27 -0.10 0.11 5.02 -0.89 -4.47 118.16 117.99 1suh n LYS 30 Ca 0.00 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1suh n LYS 30 Cb 0.03 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.84 0.73 -3.50 1.97 0.28 -0.63 -5.05 120.64 112.60 1suh n GLU 31 Ca 0.01 0.09 -0.16 0.00 -0.16 0.00 0.00 57.16 56.94 1suh n GLU 31 Cb 0.43 -1.44 -0.05 0.00 1.43 0.00 0.00 31.44 31.81 1suh n GLU 31 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1suh s THR 32 N -2.43 0.00 0.50 3.84 -1.32 -1.25 -5.13 115.64 109.84 1suh s THR 32 Ca -0.24 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.04 1suh s THR 32 Cb 0.07 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.95 1suh s THR 32 CO 0.56 0.00 0.42 1.17 -2.21 0.00 0.00 174.62 174.56 1suh n LYS 33 N 0.54 0.45 -3.90 7.08 4.81 -1.26 -4.58 118.16 121.30 1suh n LYS 33 Ca -0.18 0.17 -0.11 0.00 -0.87 0.00 0.00 58.31 57.32 1suh n LYS 33 Cb 0.59 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 34.00 1suh n LYS 33 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1suh s VAL 34 N -1.68 0.03 0.29 3.15 0.11 -1.26 -1.31 120.40 119.72 1suh s VAL 34 Ca 0.65 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.50 1suh s VAL 34 Cb -0.51 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1suh s VAL 34 CO 0.58 -0.13 0.43 -0.36 -3.33 0.00 0.00 175.10 172.29 1suh s PHE 35 N -0.38 3.39 0.48 1.54 0.40 0.12 -4.84 117.98 118.70 1suh s PHE 35 Ca -0.04 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1suh s PHE 35 Cb -0.03 -1.74 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 1suh s PHE 35 CO -0.00 0.27 0.06 0.71 0.70 0.00 0.00 175.22 176.95 1suh s TYR 36 N -2.10 1.80 -0.07 0.36 2.02 -0.08 -1.16 117.35 118.11 1suh s TYR 36 Ca 0.38 -1.12 -0.31 0.00 -0.37 0.00 0.00 57.07 55.65 1suh s TYR 36 Cb -0.09 -1.42 0.07 0.00 -0.40 0.00 0.00 41.96 40.13 1suh s TYR 36 CO 0.31 -0.01 0.71 -1.12 -1.57 0.00 0.00 175.55 173.87 1suh s SER 37 N -3.78 -0.64 0.09 2.29 0.01 0.21 -4.17 113.70 107.71 1suh s SER 37 Ca 0.11 0.74 0.07 0.00 1.31 0.00 0.00 55.95 58.18 1suh s SER 37 Cb 0.01 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 1suh s SER 37 CO 0.07 -0.57 -0.19 -0.51 0.41 0.00 0.00 173.24 172.46 1suh s ILE 38 N -1.09 1.51 0.16 1.44 2.07 -1.26 -1.11 121.20 122.92 1suh s ILE 38 Ca -0.10 -1.43 -0.23 0.00 -1.41 0.00 0.00 60.65 57.48 1suh s ILE 38 Cb -0.00 -1.38 0.07 0.00 0.13 0.00 0.00 42.46 41.27 1suh s ILE 38 CO 0.09 -0.09 0.63 0.28 -1.91 0.00 0.00 174.94 173.94 1suh s THR 39 N -1.16 0.00 0.00 4.00 -1.32 0.53 -4.92 115.64 112.77 1suh s THR 39 Ca 0.04 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1suh s THR 39 Cb -0.10 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1suh s THR 39 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1suh n GLY 40 N -0.38 -0.53 3.63 6.08 0.00 -1.26 -1.25 105.19 111.47 1suh n GLY 40 Ca -0.15 -2.23 -0.49 0.00 0.00 0.00 0.00 46.02 43.14 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 -0.13 1.80 0.00 1.61 10.64 -1.26 -0.82 117.38 129.23 1suh n GLN 41 Ca 0.00 0.62 0.00 0.00 -1.83 0.00 0.00 57.00 55.79 1suh n GLN 41 Cb 0.00 -2.60 0.00 0.00 -0.86 0.00 0.00 30.24 26.78 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 4.97 2.03 1.00 2.61 0.00 -0.11 -4.75 105.19 110.93 1suh n GLY 42 Ca 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.19 2.97 -0.02 4.61 0.00 0.00 0.20 120.51 128.09 1suh n ALA 43 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1suh n ALA 43 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.79 3.23 -4.92 0.00 5.75 -1.05 -1.60 116.55 115.17 1suh n ASP 44 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.47 1suh n ASP 44 Cb 0.00 1.10 -0.04 0.00 -1.03 0.00 0.00 41.12 41.15 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 -2.40 3.45 0.19 0.11 -0.14 -1.03 -4.73 119.74 115.19 1suh s LYS 45 Ca -0.03 -0.44 -0.33 0.00 -1.36 0.00 0.00 55.97 53.82 1suh s LYS 45 Cb 0.04 -3.02 -0.13 0.00 -1.68 0.00 0.00 37.83 33.04 1suh s LYS 45 CO 0.31 0.59 1.68 -2.30 -0.76 0.00 0.00 175.35 174.87 1suh n PRO 46 N 0.19 2.56 -2.05 -1.68 -0.01 -1.26 -1.49 135.00 131.26 1suh n PRO 46 Ca -0.05 0.92 -0.42 0.00 -0.01 0.00 0.00 63.50 63.94 1suh n PRO 46 Cb 0.51 -2.75 -0.03 0.00 -0.01 0.00 0.00 33.50 31.23 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 1.14 4.20 0.19 0.52 0.04 -1.26 -4.56 135.00 135.27 1suh s PRO 47 Ca 0.77 2.15 -0.30 0.00 0.04 0.00 0.00 61.00 63.66 1suh s PRO 47 Cb -0.57 -3.83 -0.08 0.00 0.04 0.00 0.00 34.50 30.06 1suh s PRO 47 CO 0.34 -0.77 0.94 0.54 0.04 0.00 0.00 177.00 178.09 1suh s VAL 48 N 3.48 4.26 -0.11 -0.36 0.11 -0.88 -0.93 120.40 125.96 1suh s VAL 48 Ca 0.71 2.06 -0.01 0.00 -2.93 0.00 0.00 61.98 61.81 1suh s VAL 48 Cb -0.34 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.20 1suh s VAL 48 CO 0.29 0.43 0.03 0.61 -3.33 0.00 0.00 175.10 173.13 1suh n GLY 49 N 1.80 -2.99 2.04 6.54 0.00 -0.63 -4.89 105.19 107.06 1suh n GLY 49 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.14 0.00 -4.37 1.61 0.31 0.55 -4.80 118.33 111.77 1suh n VAL 50 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 1suh n VAL 50 Cb 0.02 -0.28 -0.11 0.00 -0.91 0.00 0.00 33.84 32.57 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 -2.00 2.70 0.03 3.52 0.08 -0.04 -0.72 117.98 121.55 1suh s PHE 51 Ca 0.00 -0.17 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 1suh s PHE 51 Cb 0.00 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1suh s PHE 51 CO 0.00 0.37 -0.03 0.96 -0.10 0.00 0.00 175.22 176.42 1suh s ILE 52 N -1.10 0.18 0.02 0.64 -4.36 0.28 -4.64 121.20 112.21 1suh s ILE 52 Ca 0.19 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1suh s ILE 52 Cb -0.11 -0.74 -0.01 0.00 1.25 0.00 0.00 42.46 42.84 1suh s ILE 52 CO 0.10 -0.68 -0.02 -0.63 0.24 0.00 0.00 174.94 173.95 1suh s ILE 53 N -2.36 0.10 -0.71 8.37 1.01 -1.26 -0.34 121.20 126.01 1suh s ILE 53 Ca -0.07 -0.68 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 1suh s ILE 53 Cb -0.03 -0.21 0.04 0.00 0.01 0.00 0.00 42.46 42.27 1suh s ILE 53 CO -0.04 -0.36 1.18 -0.70 0.00 0.00 0.00 174.94 175.01 1suh s GLU 54 N -1.08 3.16 0.66 2.79 -6.30 -0.41 -4.84 118.70 112.68 1suh s GLU 54 Ca -0.12 -0.44 0.12 0.00 -2.50 0.00 0.00 54.97 52.04 1suh s GLU 54 Cb -0.07 -4.20 0.60 0.00 0.00 0.00 0.00 34.13 30.46 1suh s GLU 54 CO -0.01 -2.04 1.32 -0.09 0.02 0.00 0.00 175.26 174.47 1suh h ARG 55 N 9.88 0.00 0.00 4.30 2.43 -1.91 0.98 114.38 130.05 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 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1suh h ARG 55 CO 1.25 0.00 -0.05 0.39 -1.51 0.00 0.00 179.97 180.05 1suh n GLU 56 N -2.72 0.04 -0.01 0.20 -0.58 -1.26 -0.90 120.64 115.42 1suh n GLU 56 Ca 0.02 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1suh n GLU 56 Cb 0.85 -0.77 0.01 0.00 -0.57 0.00 0.00 31.44 30.96 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 -2.50 0.02 -1.32 2.62 -2.24 -1.02 -4.73 114.28 105.11 1suh n THR 57 Ca -0.01 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1suh n THR 57 Cb 0.03 -0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.75 3.62 3.38 0.00 0.34 -4.65 105.19 109.14 1suh n GLY 58 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.77 2.01 -0.32 1.61 0.52 -1.24 -0.25 118.94 119.50 1suh s TRP 59 Ca 0.00 0.53 -0.24 0.00 0.02 0.00 0.00 56.10 56.41 1suh s TRP 59 Cb 0.00 -4.02 0.00 0.00 -1.15 0.00 0.00 33.47 28.30 1suh s TRP 59 CO 0.00 -3.02 0.81 -1.17 0.02 0.00 0.00 176.95 173.59 1suh s LEU 60 N 5.57 4.08 0.23 2.99 0.20 0.13 -1.28 118.68 130.60 1suh s LEU 60 Ca 0.74 0.62 0.09 0.00 0.69 0.00 0.00 54.13 56.27 1suh s LEU 60 Cb -0.25 -3.10 -0.05 0.00 -0.43 0.00 0.00 46.19 42.36 1suh s LEU 60 CO 0.31 -0.66 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.01 1suh s LYS 61 N 3.05 1.44 -0.02 1.98 1.02 0.54 -0.35 119.74 127.40 1suh s LYS 61 Ca 0.33 -1.65 0.05 0.00 0.02 0.00 0.00 55.97 54.72 1suh s LYS 61 Cb -0.14 -1.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 1suh s LYS 61 CO 0.14 0.22 -0.18 0.54 -0.92 0.00 0.00 175.35 175.15 1suh s VAL 62 N -2.84 1.41 -0.18 3.17 0.11 0.24 -0.56 120.40 121.75 1suh s VAL 62 Ca 0.25 -0.75 -0.16 0.00 -2.93 0.00 0.00 61.98 58.38 1suh s VAL 62 Cb -0.02 -1.18 -0.21 0.00 -1.53 0.00 0.00 36.38 33.44 1suh s VAL 62 CO 0.09 0.40 0.24 0.35 -3.33 0.00 0.00 175.10 172.86 1suh n THR 63 N 2.74 1.62 -3.80 5.04 -2.24 0.11 -0.73 114.28 117.01 1suh n THR 63 Ca -0.15 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 1suh n THR 63 Cb 0.54 -1.94 -0.08 0.00 -2.10 0.00 0.00 70.33 66.75 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 -2.43 3.96 1.09 -0.78 -0.21 -1.18 -4.79 119.66 115.33 1suh s GLN 64 Ca -0.27 -0.21 -0.12 0.00 0.02 0.00 0.00 55.36 54.78 1suh s GLN 64 Cb 0.06 -3.33 0.24 0.00 1.00 0.00 0.00 33.01 30.99 1suh s GLN 64 CO 0.64 0.43 1.06 -1.25 -2.12 0.00 0.00 175.29 174.05 1suh s PRO 65 N -0.02 -0.37 0.44 2.91 0.04 -1.26 -4.93 135.00 131.81 1suh s PRO 65 Ca 0.09 1.02 0.05 0.00 0.04 0.00 0.00 61.00 62.20 1suh s PRO 65 Cb -0.11 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.83 1suh s PRO 65 CO -0.00 -3.41 0.61 -0.51 0.04 0.00 0.00 177.00 173.73 1suh s LEU 66 N -7.03 3.62 -0.29 -3.56 1.02 -1.17 -4.81 118.68 106.45 1suh s LEU 66 Ca 0.68 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 54.61 1suh s LEU 66 Cb -0.24 -2.78 0.13 0.00 0.02 0.00 0.00 46.19 43.33 1suh s LEU 66 CO 0.63 -0.79 0.28 -0.62 0.02 0.00 0.00 176.35 175.86 1suh s ASP 67 N -4.33 1.88 0.66 2.29 -1.08 -1.26 -0.62 116.67 114.22 1suh s ASP 67 Ca 0.53 -0.83 0.30 0.00 -0.52 0.00 0.00 52.55 52.02 1suh s ASP 67 Cb -0.10 0.41 1.61 0.00 -1.46 0.00 0.00 42.92 43.38 1suh s ASP 67 CO 0.34 -0.39 1.91 -0.09 0.52 0.00 0.00 175.17 177.46 1suh h ARG 68 N 8.26 0.00 -0.07 4.34 2.43 -1.94 0.34 114.38 127.73 1suh h ARG 68 Ca -0.14 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.86 1suh h ARG 68 Cb 1.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1suh h ARG 68 CO 0.35 0.00 -0.69 0.93 -1.51 0.00 0.00 179.97 179.04 1suh h GLU 69 N 0.00 0.32 0.02 0.20 4.39 -2.01 -3.35 114.58 114.15 1suh h GLU 69 Ca 0.01 -0.25 -0.37 0.00 0.34 0.00 0.00 59.36 59.08 1suh h GLU 69 Cb 0.70 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 1suh h GLU 69 CO -0.00 0.89 -2.11 0.00 -1.16 0.00 0.00 179.01 176.63 1suh n ALA 70 N -2.49 1.09 -3.05 3.43 0.00 0.90 -4.98 120.51 115.41 1suh n ALA 70 Ca -0.03 -0.86 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 1suh n ALA 70 Cb 0.68 -0.23 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.48 -0.01 -0.48 0.00 1.01 0.38 -5.03 121.20 114.59 1suh s ILE 71 Ca -0.33 0.03 0.19 0.00 0.00 0.00 0.00 60.65 60.54 1suh s ILE 71 Cb 0.10 -0.11 -0.25 0.00 0.01 0.00 0.00 42.46 42.22 1suh s ILE 71 CO 0.58 0.01 0.61 0.00 0.00 0.00 0.00 174.94 176.15 1suh n ALA 72 N 3.20 3.62 -3.66 9.38 0.00 -1.26 -3.31 120.51 128.48 1suh n ALA 72 Ca -0.14 -0.49 -0.07 0.00 0.00 0.00 0.00 53.44 52.73 1suh n ALA 72 Cb 0.58 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.02 0.51 -0.18 0.00 2.20 -1.26 -0.41 119.74 117.57 1suh s LYS 73 Ca 0.00 1.09 -0.07 0.00 -0.36 0.00 0.00 55.97 56.64 1suh s LYS 73 Cb 0.13 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1suh s LYS 73 CO 0.78 -0.18 0.05 0.71 -0.36 0.00 0.00 175.35 176.34 1suh s TYR 74 N 2.00 3.22 -0.37 4.03 1.51 0.81 -4.95 117.35 123.60 1suh s TYR 74 Ca -0.07 0.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 1suh s TYR 74 Cb -0.09 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1suh s TYR 74 CO -0.16 0.11 0.24 0.42 -1.11 0.00 0.00 175.55 175.06 1suh s ILE 75 N 0.41 5.06 0.18 2.71 1.01 -1.26 -1.00 121.20 128.31 1suh s ILE 75 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1suh s ILE 75 Cb -0.13 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1suh s ILE 75 CO 0.01 -0.15 0.07 -0.76 0.00 0.00 0.00 174.94 174.11 1suh s LEU 76 N 1.66 3.55 0.09 2.97 2.01 -0.17 -4.51 118.68 124.28 1suh s LEU 76 Ca 0.05 -0.29 0.08 0.00 0.01 0.00 0.00 54.13 53.97 1suh s LEU 76 Cb -0.18 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 1suh s LEU 76 CO 0.09 0.06 -0.17 -0.31 1.01 0.00 0.00 176.35 177.04 1suh s TYR 77 N -1.82 2.58 0.07 0.29 1.51 -0.38 0.57 117.35 120.17 1suh s TYR 77 Ca 0.30 -0.24 -0.06 0.00 -1.01 0.00 0.00 57.07 56.06 1suh s TYR 77 Cb -0.09 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 1suh s TYR 77 CO 0.21 0.36 0.11 -1.54 -1.11 0.00 0.00 175.55 173.58 1suh s SER 78 N -1.94 0.24 0.10 2.29 1.04 0.45 -0.34 113.70 115.54 1suh s SER 78 Ca 0.17 -0.76 0.07 0.00 0.48 0.00 0.00 55.95 55.92 1suh s SER 78 Cb -0.11 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 1suh s SER 78 CO 0.09 -0.68 -0.18 -1.00 0.98 0.00 0.00 173.24 172.46 1suh s HIS 79 N -3.82 1.59 0.07 5.02 0.09 -0.27 -3.03 115.29 114.95 1suh s HIS 79 Ca 0.05 -0.45 0.06 0.00 -0.00 0.00 0.00 55.06 54.72 1suh s HIS 79 Cb 0.06 -0.86 -0.03 0.00 -0.00 0.00 0.00 32.58 31.74 1suh s HIS 79 CO -0.10 0.17 -0.16 0.00 -0.00 0.00 0.00 174.74 174.65 1suh s ALA 80 N -1.42 1.39 -0.01 -1.40 0.00 -1.26 -0.62 121.76 118.43 1suh s ALA 80 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1suh s ALA 80 Cb -0.09 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.89 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 -1.16 -0.02 0.19 0.00 -7.23 -0.31 0.28 120.40 112.16 1suh s VAL 81 Ca 0.01 0.14 -0.31 0.00 -1.81 0.00 0.00 61.98 60.01 1suh s VAL 81 Cb -0.10 -0.08 -0.10 0.00 0.56 0.00 0.00 36.38 36.67 1suh s VAL 81 CO 0.03 0.07 1.51 -0.94 -0.31 0.00 0.00 175.10 175.46 1suh s SER 82 N 0.74 6.63 0.00 4.85 1.04 0.36 0.15 113.70 127.47 1suh s SER 82 Ca -0.06 2.61 0.00 0.00 0.48 0.00 0.00 55.95 58.99 1suh s SER 82 Cb -0.09 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.45 1suh s SER 82 CO -0.02 -0.77 0.22 -0.24 0.98 0.00 0.00 173.24 173.41 1suh n SER 83 N 3.39 0.00 0.05 7.02 2.88 -0.43 -0.81 113.62 125.71 1suh n SER 83 Ca 0.11 -0.08 0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1suh n SER 83 Cb 0.39 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.66 0.49 0.00 -3.46 0.23 -1.26 -4.95 115.26 105.65 1suh n ASN 84 Ca 0.00 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 1suh n ASN 84 Cb 0.00 1.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.80 1suh n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1suh n GLY 85 N 1.24 1.51 3.44 4.83 0.00 0.01 -5.12 105.19 111.10 1suh n GLY 85 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.14 3.13 0.06 1.61 2.02 -1.22 -4.98 118.70 119.17 1suh s GLU 86 Ca 0.00 -0.65 -0.31 0.00 0.02 0.00 0.00 54.97 54.03 1suh s GLU 86 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 34.13 31.57 1suh s GLU 86 CO 0.00 0.37 1.37 0.00 0.02 0.00 0.00 175.26 177.03 1suh s ALA 87 N -0.06 3.56 -0.02 5.21 0.00 -1.26 -0.49 121.76 128.71 1suh s ALA 87 Ca -0.02 0.99 0.19 0.00 0.00 0.00 0.00 51.96 53.12 1suh s ALA 87 Cb -0.14 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.76 1suh s ALA 87 CO 0.04 -0.72 1.14 1.33 0.00 0.00 0.00 175.76 177.54 1suh n VAL 88 N 4.26 0.22 -2.76 0.00 0.24 -0.92 -4.82 118.33 114.54 1suh n VAL 88 Ca 0.12 -1.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.04 1suh n VAL 88 Cb 0.43 0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 33.51 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 -0.33 4.68 0.02 7.34 -1.05 0.80 -4.43 118.70 125.73 1suh s GLU 89 Ca 0.27 1.39 0.01 0.00 -0.15 0.00 0.00 54.97 56.49 1suh s GLU 89 Cb 0.30 -2.97 -0.02 0.00 -0.44 0.00 0.00 34.13 31.00 1suh s GLU 89 CO -0.12 0.36 -0.04 -0.51 0.95 0.00 0.00 175.26 175.90 1suh s ASP 90 N -1.46 0.39 -0.81 0.83 1.01 -1.26 -4.76 116.67 110.61 1suh s ASP 90 Ca 0.47 -0.47 -0.20 0.00 0.71 0.00 0.00 52.55 53.06 1suh s ASP 90 Cb -0.21 0.07 -0.19 0.00 1.01 0.00 0.00 42.92 43.60 1suh s ASP 90 CO 0.27 -0.25 2.10 -2.65 0.21 0.00 0.00 175.17 174.85 1suh n PRO 91 N 1.70 0.25 -3.64 8.23 -0.01 -1.26 -4.62 135.00 135.65 1suh n PRO 91 Ca -0.23 -0.84 -0.37 0.00 -0.01 0.00 0.00 63.50 62.05 1suh n PRO 91 Cb 0.55 -2.95 -0.11 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 7.98 3.96 -0.35 -0.52 -1.94 -1.17 -4.99 119.30 122.27 1suh s MET 92 Ca 0.85 -0.32 -0.10 0.00 -1.71 0.00 0.00 55.69 54.41 1suh s MET 92 Cb -0.22 -3.58 0.02 0.00 2.01 0.00 0.00 34.83 33.06 1suh s MET 92 CO 0.19 -0.10 0.18 -1.83 -0.01 0.00 0.00 175.02 173.45 1suh s GLU 93 N 1.51 2.97 -0.06 2.03 -1.05 -1.26 -0.41 118.70 122.43 1suh s GLU 93 Ca 0.07 -0.97 -0.21 0.00 -0.15 0.00 0.00 54.97 53.71 1suh s GLU 93 Cb -0.15 -3.65 -0.04 0.00 -0.44 0.00 0.00 34.13 29.85 1suh s GLU 93 CO 0.08 -0.60 0.59 0.42 0.95 0.00 0.00 175.26 176.70 1suh s ILE 94 N 1.56 5.05 -0.39 1.83 1.01 0.19 -4.92 121.20 125.53 1suh s ILE 94 Ca 0.03 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 61.76 1suh s ILE 94 Cb -0.18 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1suh s ILE 94 CO 0.06 0.34 0.25 -0.69 0.00 0.00 0.00 174.94 174.89 1suh s VAL 95 N 0.38 4.86 -0.38 2.92 1.01 -1.18 -1.00 120.40 127.01 1suh s VAL 95 Ca 0.31 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1suh s VAL 95 Cb -0.17 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1suh s VAL 95 CO 0.15 -0.27 0.21 -0.63 0.00 0.00 0.00 175.10 174.56 1suh s ILE 96 N 1.61 4.56 0.24 2.22 1.01 -0.17 -0.25 121.20 130.42 1suh s ILE 96 Ca 0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1suh s ILE 96 Cb -0.19 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 1suh s ILE 96 CO 0.08 -0.25 0.57 0.28 0.00 0.00 0.00 174.94 175.62 1suh s THR 97 N 1.55 4.90 -0.07 2.92 -1.32 0.13 -0.13 115.64 123.62 1suh s THR 97 Ca 0.02 0.53 -0.20 0.00 -1.21 0.00 0.00 61.69 60.83 1suh s THR 97 Cb -0.19 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1suh s THR 97 CO 0.07 -0.09 0.56 -0.69 -2.21 0.00 0.00 174.62 172.25 1suh s VAL 98 N -1.84 5.08 -0.02 5.08 1.01 0.45 -0.78 120.40 129.37 1suh s VAL 98 Ca 0.48 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.63 1suh s VAL 98 Cb -0.11 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1suh s VAL 98 CO 0.21 0.34 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 1suh s THR 99 N 0.39 3.75 -0.25 3.92 2.01 -0.91 -4.90 115.64 119.65 1suh s THR 99 Ca 0.30 -0.66 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 1suh s THR 99 Cb -0.17 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 1suh s THR 99 CO 0.14 0.45 1.43 -1.81 -0.69 0.00 0.00 174.62 174.14 1suh s ASP 100 N -1.26 6.58 0.21 3.53 1.01 -1.26 -3.05 116.67 122.43 1suh s ASP 100 Ca 0.16 1.43 -0.19 0.00 0.71 0.00 0.00 52.55 54.67 1suh s ASP 100 Cb -0.11 -2.54 0.18 0.00 1.01 0.00 0.00 42.92 41.47 1suh s ASP 100 CO 0.06 -1.12 1.58 -0.61 0.21 0.00 0.00 175.17 175.29 1suh h GLN 101 N 9.75 -0.09 0.00 8.23 -0.00 -1.95 -3.47 115.11 127.58 1suh h GLN 101 Ca -0.29 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1suh h GLN 101 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.62 1suh h GLN 101 CO 1.01 -0.06 0.00 0.27 0.00 0.00 0.00 178.83 180.05 1suh n ASN 102 N -5.46 0.00 -1.48 -0.69 0.23 -1.26 -5.07 115.26 101.53 1suh n ASN 102 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1suh n ASN 102 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1suh n ASN 102 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1suh n ASP 103 N 0.00 -6.98 -0.60 0.53 5.68 -1.26 -5.23 116.55 108.68 1suh n ASP 103 Ca 0.00 0.95 0.13 0.00 -0.50 0.00 0.00 54.79 55.38 1suh n ASP 103 Cb 0.00 -3.59 0.42 0.00 -1.14 0.00 0.00 41.12 36.80 1suh n ASP 103 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46