#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rlb n LYS 9 N 0.00 0.00 0.00 1.43 4.01 -1.26 -5.12 118.16 117.23 1rlb n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1rlb n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1rlb n LYS 9 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rlb h PRO 11 N 0.00 -0.72 -6.45 0.00 0.10 -1.83 -3.42 132.00 119.67 1rlb h PRO 11 Ca 0.00 0.05 -0.46 0.00 0.10 0.00 0.00 66.00 65.69 1rlb h PRO 11 Cb 0.00 0.16 0.01 0.00 0.10 0.00 0.00 31.00 31.27 1rlb h PRO 11 CO 0.00 -0.48 -0.25 -1.17 0.10 0.00 0.00 178.00 176.20 1rlb s LEU 12 N -10.11 4.01 -0.30 2.35 2.96 -1.26 -0.24 118.68 116.09 1rlb s LEU 12 Ca -0.17 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 53.82 1rlb s LEU 12 Cb 0.04 -3.11 0.18 0.00 0.50 0.00 0.00 46.19 43.81 1rlb s LEU 12 CO 0.63 -0.34 1.14 -0.32 -1.32 0.00 0.00 176.35 176.14 1rlb s MET 13 N -4.27 0.17 -0.02 1.98 1.75 -1.00 -4.56 119.30 113.35 1rlb s MET 13 Ca 0.41 0.36 0.06 0.00 -1.25 0.00 0.00 55.69 55.27 1rlb s MET 13 Cb -0.10 0.14 -0.01 0.00 2.84 0.00 0.00 34.83 37.70 1rlb s MET 13 CO 0.34 -0.05 -0.20 0.08 -0.65 0.00 0.00 175.02 174.54 1rlb s VAL 14 N 1.73 1.63 -0.05 10.11 1.01 -1.13 -0.83 120.40 132.87 1rlb s VAL 14 Ca -0.05 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1rlb s VAL 14 Cb -0.03 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1rlb s VAL 14 CO -0.14 0.46 -0.13 -0.75 0.00 0.00 0.00 175.10 174.53 1rlb s LYS 15 N -0.37 1.59 0.11 2.72 2.20 0.13 -1.76 119.74 124.37 1rlb s LYS 15 Ca 0.05 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.27 1rlb s LYS 15 Cb -0.09 -1.36 -0.04 0.00 -1.51 0.00 0.00 37.83 34.83 1rlb s LYS 15 CO 0.00 0.12 -0.18 0.08 -0.36 0.00 0.00 175.35 175.01 1rlb s VAL 16 N 0.34 1.59 -0.07 4.02 1.01 -0.84 -0.86 120.40 125.60 1rlb s VAL 16 Ca -0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.24 1rlb s VAL 16 Cb -0.13 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.74 1rlb s VAL 16 CO 0.03 -0.19 0.16 -0.76 0.00 0.00 0.00 175.10 174.34 1rlb s LEU 17 N -2.12 1.04 -0.30 3.92 1.43 -0.70 -2.66 118.68 119.29 1rlb s LEU 17 Ca 0.07 0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 1rlb s LEU 17 Cb -0.08 0.48 0.00 0.00 0.03 0.00 0.00 46.19 46.62 1rlb s LEU 17 CO 0.04 -0.10 0.79 -0.62 0.23 0.00 0.00 176.35 176.69 1rlb s ASP 18 N 0.64 6.67 0.20 2.29 -1.08 0.13 -1.26 116.67 124.26 1rlb s ASP 18 Ca -0.05 0.67 0.15 0.00 -0.52 0.00 0.00 52.55 52.81 1rlb s ASP 18 Cb -0.06 -2.41 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1rlb s ASP 18 CO -0.03 -0.61 1.24 0.00 0.52 0.00 0.00 175.17 176.29 1rlb h ALA 19 N 8.11 0.64 0.07 3.66 0.00 -0.67 -2.45 119.26 128.61 1rlb h ALA 19 Ca -0.24 -0.61 -0.28 0.00 0.00 0.00 0.00 54.91 53.78 1rlb h ALA 19 Cb 1.10 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.93 1rlb h ALA 19 CO 0.88 0.76 -1.13 0.28 0.00 0.00 0.00 179.25 180.04 1rlb h VAL 20 N 0.00 1.29 -0.40 0.00 2.07 -1.92 -3.33 116.25 113.96 1rlb h VAL 20 Ca -0.05 -2.36 -0.13 0.00 0.82 0.00 0.00 66.70 64.98 1rlb h VAL 20 Cb 1.48 2.58 -0.08 0.00 -1.52 0.00 0.00 31.29 33.75 1rlb h VAL 20 CO 0.06 0.72 0.04 0.54 0.02 0.00 0.00 177.57 178.96 1rlb n ARG 21 N -3.84 2.57 -3.90 1.57 1.74 -1.26 -4.98 116.66 108.56 1rlb n ARG 21 Ca -0.13 -3.02 -0.26 0.00 -0.77 0.00 0.00 57.85 53.68 1rlb n ARG 21 Cb 0.93 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 1rlb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rlb n GLY 22 N -0.74 -0.19 3.28 -0.13 0.00 -1.15 -4.93 105.19 101.33 1rlb n GLY 22 Ca 0.31 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 1rlb n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rlb s SER 23 N -4.02 -0.14 0.60 1.61 0.15 -0.93 -5.01 113.70 105.95 1rlb s SER 23 Ca 0.07 -0.30 -0.19 0.00 0.70 0.00 0.00 55.95 56.23 1rlb s SER 23 Cb -0.04 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1rlb s SER 23 CO 0.75 -0.74 1.02 -2.65 1.20 0.00 0.00 173.24 172.83 1rlb n PRO 24 N 0.13 0.96 -2.83 5.44 -0.02 -1.26 0.19 135.00 137.60 1rlb n PRO 24 Ca -0.17 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 1rlb n PRO 24 Cb 0.62 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1rlb n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rlb s ALA 25 N -1.49 3.29 0.29 3.55 0.00 -1.09 -4.50 121.76 121.82 1rlb s ALA 25 Ca 0.76 -2.73 -0.28 0.00 0.00 0.00 0.00 51.96 49.71 1rlb s ALA 25 Cb -0.41 -4.20 -0.09 0.00 0.00 0.00 0.00 23.12 18.42 1rlb s ALA 25 CO 0.46 -3.12 1.01 0.42 0.00 0.00 0.00 175.76 174.53 1rlb s ILE 26 N 3.14 3.86 -1.16 0.00 1.01 -1.26 -3.96 121.20 122.83 1rlb s ILE 26 Ca 0.38 1.75 -0.05 0.00 0.00 0.00 0.00 60.65 62.73 1rlb s ILE 26 Cb -0.03 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1rlb s ILE 26 CO -0.08 0.33 0.71 -3.20 0.00 0.00 0.00 174.94 172.71 1rlb n ASN 27 N 1.03 -5.35 -4.77 3.58 4.05 0.82 -4.93 115.26 109.70 1rlb n ASN 27 Ca -0.00 -0.33 -0.40 0.00 0.45 0.00 0.00 54.58 54.31 1rlb n ASN 27 Cb 0.47 -4.07 -0.06 0.00 1.23 0.00 0.00 39.78 37.35 1rlb n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1rlb s VAL 28 N -3.15 4.30 -0.65 3.44 1.01 -1.25 -4.64 120.40 119.45 1rlb s VAL 28 Ca 0.35 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 1rlb s VAL 28 Cb -0.16 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.10 1rlb s VAL 28 CO 0.44 0.51 0.98 0.00 0.00 0.00 0.00 175.10 177.03 1rlb s ALA 29 N -1.12 3.10 0.08 5.51 0.00 -1.26 -1.45 121.76 126.61 1rlb s ALA 29 Ca 0.37 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 1rlb s ALA 29 Cb -0.24 -3.87 -0.06 0.00 0.00 0.00 0.00 23.12 18.96 1rlb s ALA 29 CO 0.28 -2.75 0.43 0.08 0.00 0.00 0.00 175.76 173.79 1rlb s VAL 30 N 4.16 5.04 -0.24 0.00 1.01 0.54 -0.96 120.40 129.96 1rlb s VAL 30 Ca 0.24 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 1rlb s VAL 30 Cb -0.16 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1rlb s VAL 30 CO 0.12 0.32 0.15 -1.00 0.00 0.00 0.00 175.10 174.69 1rlb s HIS 31 N -1.37 0.10 -0.06 5.22 3.76 0.19 -1.48 115.29 121.65 1rlb s HIS 31 Ca 0.33 -0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 54.59 1rlb s HIS 31 Cb -0.14 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.81 1rlb s HIS 31 CO 0.18 -0.70 0.59 0.08 -0.85 0.00 0.00 174.74 174.04 1rlb s VAL 32 N 2.18 5.05 0.40 -0.90 1.01 0.77 -0.42 120.40 128.48 1rlb s VAL 32 Ca 0.06 1.22 0.08 0.00 0.00 0.00 0.00 61.98 63.33 1rlb s VAL 32 Cb -0.16 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1rlb s VAL 32 CO -0.23 0.33 0.14 -0.36 0.00 0.00 0.00 175.10 174.99 1rlb s PHE 33 N 0.39 2.60 -0.22 5.22 0.40 0.17 0.25 117.98 126.79 1rlb s PHE 33 Ca 0.32 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1rlb s PHE 33 Cb -0.17 -1.87 0.08 0.00 0.51 0.00 0.00 43.02 41.57 1rlb s PHE 33 CO 0.15 0.25 0.11 0.50 0.70 0.00 0.00 175.22 176.94 1rlb s ARG 34 N -3.86 0.12 0.39 0.44 3.00 -0.34 -1.93 118.95 116.76 1rlb s ARG 34 Ca 0.40 -0.25 -0.27 0.00 -1.00 0.00 0.00 55.73 54.60 1rlb s ARG 34 Cb 0.04 -1.52 -0.10 0.00 0.00 0.00 0.00 34.95 33.36 1rlb s ARG 34 CO 0.22 -0.82 1.40 0.21 0.00 0.00 0.00 175.30 176.31 1rlb s LYS 35 N 2.13 4.06 0.00 5.12 2.20 -0.91 -1.39 119.74 130.95 1rlb s LYS 35 Ca 0.05 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 1rlb s LYS 35 Cb -0.16 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1rlb s LYS 35 CO -0.21 -0.50 0.00 0.00 -0.36 0.00 0.00 175.35 174.28 1rlb n ALA 36 N 0.35 0.00 -0.32 3.13 0.00 -0.78 -4.82 120.51 118.07 1rlb n ALA 36 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1rlb n ALA 36 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 1rlb n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rlb h ALA 37 N 0.48 -0.63 -1.65 0.00 0.00 -1.93 -3.28 119.26 112.25 1rlb h ALA 37 Ca 0.00 0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.39 1rlb h ALA 37 Cb 0.00 1.29 -0.42 0.00 0.00 0.00 0.00 17.79 18.66 1rlb h ALA 37 CO 0.00 -0.99 -0.68 -0.40 0.00 0.00 0.00 179.25 177.18 1rlb n ASP 38 N -5.28 4.73 -1.43 0.00 5.75 -1.26 -4.87 116.55 114.19 1rlb n ASP 38 Ca 0.00 -3.72 -0.19 0.00 -0.01 0.00 0.00 54.79 50.88 1rlb n ASP 38 Cb 0.29 -0.49 -0.08 0.00 -1.03 0.00 0.00 41.12 39.81 1rlb n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1rlb n ASP 39 N -0.44 -5.27 -4.59 -1.12 8.00 -1.24 -4.95 116.55 106.95 1rlb n ASP 39 Ca 0.38 0.46 -0.41 0.00 0.71 0.00 0.00 54.79 55.93 1rlb n ASP 39 Cb 0.60 -4.41 -0.07 0.00 -0.02 0.00 0.00 41.12 37.22 1rlb n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rlb s THR 40 N -2.69 5.00 -0.96 -3.53 2.01 -1.26 -4.95 115.64 109.27 1rlb s THR 40 Ca 0.00 0.65 -0.24 0.00 0.31 0.00 0.00 61.69 62.41 1rlb s THR 40 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1rlb s THR 40 CO 0.00 -0.11 1.74 0.26 -0.69 0.00 0.00 174.62 175.81 1rlb s TRP 41 N 2.45 2.12 -0.05 4.92 0.52 -1.26 -1.86 118.94 125.78 1rlb s TRP 41 Ca 0.21 -0.02 -0.30 0.00 0.02 0.00 0.00 56.10 56.02 1rlb s TRP 41 Cb -0.15 -4.33 -0.03 0.00 -1.15 0.00 0.00 33.47 27.81 1rlb s TRP 41 CO 0.12 -1.82 1.21 -2.00 0.02 0.00 0.00 176.95 174.48 1rlb s GLU 42 N 6.12 4.35 0.15 4.98 2.12 -0.49 -4.80 118.70 131.13 1rlb s GLU 42 Ca 0.60 1.69 -0.34 0.00 0.36 0.00 0.00 54.97 57.27 1rlb s GLU 42 Cb -0.04 -3.55 -0.15 0.00 0.26 0.00 0.00 34.13 30.65 1rlb s GLU 42 CO -0.04 -0.44 1.38 -2.30 -0.54 0.00 0.00 175.26 173.31 1rlb n PRO 43 N 5.14 1.56 0.00 4.30 -0.02 -1.26 -1.20 135.00 143.51 1rlb n PRO 43 Ca 0.11 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1rlb n PRO 43 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1rlb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1rlb n PHE 44 N 2.46 0.00 -3.72 6.00 7.35 -1.08 -4.79 117.46 123.67 1rlb n PHE 44 Ca 0.16 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.75 1rlb n PHE 44 Cb 0.25 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.03 1rlb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rlb s ALA 45 N -3.97 -0.71 0.05 3.13 0.00 0.14 -4.98 121.76 115.43 1rlb s ALA 45 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1rlb s ALA 45 Cb 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 1rlb s ALA 45 CO 0.00 -0.64 0.03 0.45 0.00 0.00 0.00 175.76 175.60 1rlb s SER 46 N -2.84 0.35 -0.18 0.00 0.15 -1.26 0.27 113.70 110.19 1rlb s SER 46 Ca 0.06 -0.82 -0.35 0.00 0.70 0.00 0.00 55.95 55.54 1rlb s SER 46 Cb 0.02 0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.69 1rlb s SER 46 CO -0.09 -0.59 1.22 -0.83 1.20 0.00 0.00 173.24 174.15 1rlb s GLY 47 N -2.66 -0.30 -0.13 9.45 0.00 -0.55 -5.00 107.32 108.13 1rlb s GLY 47 Ca 0.03 1.54 -0.03 0.00 0.00 0.00 0.00 44.72 46.26 1rlb s GLY 47 CO -0.09 0.51 -0.02 0.54 0.00 0.00 0.00 173.10 174.04 1rlb s LYS 48 N -2.41 3.44 0.09 2.90 1.02 -1.25 -0.34 119.74 123.19 1rlb s LYS 48 Ca 0.10 -0.47 -0.31 0.00 0.02 0.00 0.00 55.97 55.31 1rlb s LYS 48 Cb -0.01 -2.89 -0.07 0.00 -0.52 0.00 0.00 37.83 34.34 1rlb s LYS 48 CO -0.04 0.41 1.35 0.95 -0.92 0.00 0.00 175.35 177.10 1rlb s THR 49 N -0.10 3.52 0.52 2.17 -4.23 -0.53 -4.67 115.64 112.32 1rlb s THR 49 Ca 0.03 1.07 -0.09 0.00 -1.18 0.00 0.00 61.69 61.53 1rlb s THR 49 Cb -0.13 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.16 1rlb s THR 49 CO 0.02 0.07 0.31 -1.54 -0.54 0.00 0.00 174.62 172.94 1rlb n SER 50 N 4.09 -2.78 0.19 3.99 3.41 -1.15 -0.12 113.62 121.24 1rlb n SER 50 Ca 0.11 -0.31 0.04 0.00 -0.26 0.00 0.00 58.87 58.45 1rlb n SER 50 Cb 0.43 -0.35 0.44 0.00 -0.26 0.00 0.00 64.21 64.47 1rlb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1rlb h GLU 51 N 0.00 0.04 -0.00 4.33 4.39 -1.95 -2.14 114.58 119.26 1rlb h GLU 51 Ca -0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1rlb h GLU 51 Cb 0.47 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1rlb h GLU 51 CO 0.08 0.27 -0.45 -1.13 -1.16 0.00 0.00 179.01 176.63 1rlb n SER 52 N -4.25 0.60 0.00 1.42 3.41 -1.26 -4.88 113.62 108.66 1rlb n SER 52 Ca -0.02 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1rlb n SER 52 Cb 0.30 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1rlb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rlb n GLY 53 N 1.47 1.27 2.92 5.00 0.00 -0.80 -4.86 105.19 110.19 1rlb n GLY 53 Ca 0.07 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1rlb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rlb s GLU 54 N -2.27 1.30 0.25 1.61 2.02 -1.26 -1.98 118.70 118.36 1rlb s GLU 54 Ca 0.00 -0.22 -0.27 0.00 0.02 0.00 0.00 54.97 54.50 1rlb s GLU 54 Cb 0.00 -1.27 -0.09 0.00 0.10 0.00 0.00 34.13 32.87 1rlb s GLU 54 CO 0.00 -0.14 0.88 -1.17 0.02 0.00 0.00 175.26 174.86 1rlb s LEU 55 N 1.23 4.51 0.19 1.80 0.20 -0.72 -2.95 118.68 122.93 1rlb s LEU 55 Ca -0.05 1.79 -0.05 0.00 0.69 0.00 0.00 54.13 56.52 1rlb s LEU 55 Cb -0.14 -3.66 -0.03 0.00 -0.43 0.00 0.00 46.19 41.94 1rlb s LEU 55 CO -0.02 0.09 0.21 -1.00 -0.29 0.00 0.00 176.35 175.33 1rlb s HIS 56 N -1.34 0.81 -1.21 5.38 3.76 -1.26 -2.82 115.29 118.61 1rlb s HIS 56 Ca 0.43 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1rlb s HIS 56 Cb -0.22 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.15 1rlb s HIS 56 CO 0.27 -0.69 0.00 0.41 -0.85 0.00 0.00 174.74 173.88 1rlb n GLY 57 N -0.24 0.24 0.00 -2.22 0.00 -1.26 -4.83 105.19 96.87 1rlb n GLY 57 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1rlb n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rlb n LEU 58 N -2.40 0.00 -3.76 0.99 4.77 -1.26 -4.74 117.00 110.59 1rlb n LEU 58 Ca -0.14 0.09 0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1rlb n LEU 58 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1rlb n LEU 58 CO 0.18 -0.09 1.14 0.28 -1.33 0.00 0.00 177.39 177.58 1rlb s THR 59 N -2.09 0.00 0.31 -5.08 -1.32 -1.26 -4.76 115.64 101.44 1rlb s THR 59 Ca 0.00 -0.11 0.09 0.00 -1.21 0.00 0.00 61.69 60.46 1rlb s THR 59 Cb 0.00 -2.41 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1rlb s THR 59 CO 0.00 0.00 0.04 0.42 -2.21 0.00 0.00 174.62 172.87 1rlb s THR 60 N -2.13 3.00 0.16 5.08 -4.23 -1.26 -4.64 115.64 111.62 1rlb s THR 60 Ca 0.21 -1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 58.68 1rlb s THR 60 Cb 0.04 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 71.05 1rlb s THR 60 CO -0.04 -0.26 1.78 -0.33 -0.54 0.00 0.00 174.62 175.24 1rlb h GLU 61 N 1.77 0.39 0.00 3.99 5.08 -2.02 0.15 114.58 123.95 1rlb h GLU 61 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1rlb h GLU 61 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1rlb h GLU 61 CO 0.63 0.26 0.00 -1.91 -1.00 0.00 0.00 179.01 176.99 1rlb n GLU 62 N -4.92 0.87 -0.03 2.33 4.07 -1.26 -1.93 120.64 119.77 1rlb n GLU 62 Ca 0.01 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.13 1rlb n GLU 62 Cb 0.09 -1.26 -0.09 0.00 -0.06 0.00 0.00 31.44 30.12 1rlb n GLU 62 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1rlb n GLN 63 N -0.76 1.09 -2.61 5.31 3.00 -0.35 -4.85 117.38 118.21 1rlb n GLN 63 Ca 0.11 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.60 1rlb n GLN 63 Cb 0.05 -1.28 -0.02 0.00 0.00 0.00 0.00 30.24 28.98 1rlb n GLN 63 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1rlb s PHE 64 N -2.61 2.69 -0.09 1.08 2.19 0.39 -4.91 117.98 116.74 1rlb s PHE 64 Ca -0.05 0.48 -0.06 0.00 0.33 0.00 0.00 56.93 57.62 1rlb s PHE 64 Cb 0.06 -4.45 -0.02 0.00 -1.31 0.00 0.00 43.02 37.30 1rlb s PHE 64 CO 0.48 -1.46 -0.13 1.33 1.83 0.00 0.00 175.22 177.28 1rlb n VAL 65 N 6.69 0.84 0.00 3.12 0.24 -1.26 -4.90 118.33 123.07 1rlb n VAL 65 Ca 0.09 0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 1rlb n VAL 65 Cb 0.49 -2.02 0.00 0.00 -1.47 0.00 0.00 33.84 30.84 1rlb n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1rlb n GLU 66 N -3.65 0.00 -4.00 7.34 1.02 -1.26 -4.84 120.64 115.25 1rlb n GLU 66 Ca -0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.00 1rlb n GLU 66 Cb 0.19 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.50 1rlb n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1rlb s GLY 67 N 0.00 0.29 0.00 0.62 0.00 -1.26 -1.61 107.32 105.37 1rlb s GLY 67 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1rlb s GLY 67 CO 0.00 -0.83 0.00 1.39 0.00 0.00 0.00 173.10 173.66 1rlb n ILE 68 N 1.15 -0.82 -2.95 0.90 2.08 -1.25 -4.86 119.36 113.62 1rlb n ILE 68 Ca -0.21 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 62.92 1rlb n ILE 68 Cb 0.57 -2.73 0.02 0.00 -0.75 0.00 0.00 39.64 36.75 1rlb n ILE 68 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1rlb s TYR 69 N -2.82 2.62 -0.22 1.39 1.51 0.64 -2.13 117.35 118.34 1rlb s TYR 69 Ca 0.00 -0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 55.51 1rlb s TYR 69 Cb 0.00 -2.43 0.06 0.00 -0.11 0.00 0.00 41.96 39.48 1rlb s TYR 69 CO 0.00 -0.61 0.58 0.21 -1.11 0.00 0.00 175.55 174.62 1rlb s LYS 70 N -4.47 0.63 -0.11 -0.62 2.20 -0.82 -1.32 119.74 115.24 1rlb s LYS 70 Ca 0.56 0.91 0.02 0.00 -0.36 0.00 0.00 55.97 57.11 1rlb s LYS 70 Cb -0.09 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1rlb s LYS 70 CO 0.35 -0.11 -0.20 0.08 -0.36 0.00 0.00 175.35 175.11 1rlb s VAL 71 N 0.85 2.41 -0.16 4.02 1.01 -1.25 0.44 120.40 127.73 1rlb s VAL 71 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1rlb s VAL 71 Cb -0.05 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1rlb s VAL 71 CO -0.07 0.55 -0.17 -0.70 0.00 0.00 0.00 175.10 174.70 1rlb s GLU 72 N 0.39 2.64 -0.15 2.72 2.12 0.44 -1.53 118.70 125.33 1rlb s GLU 72 Ca -0.15 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.42 1rlb s GLU 72 Cb -0.17 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1rlb s GLU 72 CO 0.07 -0.19 0.06 0.42 -0.54 0.00 0.00 175.26 175.08 1rlb s ILE 73 N 1.30 4.77 -1.26 -3.70 1.01 0.10 0.57 121.20 123.99 1rlb s ILE 73 Ca 0.03 -0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.47 1rlb s ILE 73 Cb -0.13 -3.11 0.12 0.00 0.01 0.00 0.00 42.46 39.35 1rlb s ILE 73 CO -0.10 0.52 1.60 -0.67 0.00 0.00 0.00 174.94 176.29 1rlb n ASP 74 N 3.00 5.07 0.07 3.58 -0.08 -0.14 -0.13 116.55 127.91 1rlb n ASP 74 Ca -0.18 -2.95 -0.12 0.00 -1.51 0.00 0.00 54.79 50.03 1rlb n ASP 74 Cb 0.53 -1.66 -0.08 0.00 2.34 0.00 0.00 41.12 42.25 1rlb n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1rlb h THR 75 N 5.07 0.98 -0.91 5.18 1.35 -1.84 -3.23 112.91 119.50 1rlb h THR 75 Ca 0.39 -0.95 0.20 0.00 -0.55 0.00 0.00 66.41 65.50 1rlb h THR 75 Cb 0.86 1.53 -0.17 0.00 -1.73 0.00 0.00 68.15 68.64 1rlb h THR 75 CO 1.36 0.21 -0.16 1.17 -0.25 0.00 0.00 175.52 177.85 1rlb n LYS 76 N -4.97 -0.08 -0.03 4.72 4.81 -1.18 0.17 118.16 121.60 1rlb n LYS 76 Ca -0.09 1.41 0.05 0.00 -0.87 0.00 0.00 58.31 58.81 1rlb n LYS 76 Cb 0.26 -2.14 0.42 0.00 0.02 0.00 0.00 35.03 33.59 1rlb n LYS 76 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1rlb h SER 77 N 0.00 0.49 -0.12 3.14 0.02 -1.87 0.70 113.55 115.91 1rlb h SER 77 Ca 0.47 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.39 1rlb h SER 77 Cb 0.80 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 1rlb h SER 77 CO -0.92 0.35 -0.02 0.22 -1.14 0.00 0.00 176.83 175.31 1rlb h TYR 78 N 0.57 0.25 -0.17 3.45 3.20 0.17 -2.17 116.97 122.28 1rlb h TYR 78 Ca 0.18 -0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.78 1rlb h TYR 78 Cb 0.02 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.23 1rlb h TYR 78 CO -0.00 0.52 -0.74 -1.49 -1.64 0.00 0.00 178.16 174.81 1rlb h TRP 79 N -0.08 1.05 0.41 -3.82 -0.00 -0.93 -3.14 115.95 109.44 1rlb h TRP 79 Ca 0.03 -0.45 -0.01 0.00 -0.00 0.00 0.00 58.89 58.46 1rlb h TRP 79 Cb 0.43 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.41 1rlb h TRP 79 CO 0.05 1.28 -0.31 0.87 -0.00 0.00 0.00 178.44 180.32 1rlb h LYS 80 N 0.55 -0.69 -1.57 0.49 1.79 -0.93 -0.73 116.57 115.48 1rlb h LYS 80 Ca -0.04 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1rlb h LYS 80 Cb 1.36 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1rlb h LYS 80 CO 0.15 -0.46 0.00 0.00 -1.08 0.00 0.00 179.45 178.06 1rlb n ALA 81 N -2.56 2.37 -0.14 3.86 0.00 -0.82 -0.25 120.51 122.97 1rlb n ALA 81 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1rlb n ALA 81 Cb 0.34 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1rlb n ALA 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1rlb n LEU 82 N 0.98 0.00 0.00 0.00 7.94 -0.97 -4.99 117.00 119.97 1rlb n LEU 82 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1rlb n LEU 82 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1rlb n LEU 82 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1rlb n GLY 83 N 0.00 0.83 3.70 -3.96 0.00 0.65 -5.07 105.19 101.34 1rlb n GLY 83 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1rlb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rlb s ILE 84 N -2.00 4.47 -0.67 -0.61 1.09 -0.38 -5.00 121.20 118.10 1rlb s ILE 84 Ca 0.00 -0.18 -0.27 0.00 -1.10 0.00 0.00 60.65 59.10 1rlb s ILE 84 Cb 0.00 -2.90 0.01 0.00 -1.06 0.00 0.00 42.46 38.51 1rlb s ILE 84 CO 0.00 0.60 1.54 -0.44 -0.10 0.00 0.00 174.94 176.53 1rlb s SER 85 N -0.79 5.79 1.14 3.58 0.01 -1.26 -3.62 113.70 118.54 1rlb s SER 85 Ca 0.12 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.16 1rlb s SER 85 Cb -0.12 -2.55 0.26 0.00 0.21 0.00 0.00 66.02 63.83 1rlb s SER 85 CO 0.02 -2.05 1.15 -2.16 0.41 0.00 0.00 173.24 170.61 1rlb s PRO 86 N 6.25 -0.73 0.00 12.44 0.04 -1.26 -4.96 135.00 146.78 1rlb s PRO 86 Ca 0.50 -0.09 0.13 0.00 0.04 0.00 0.00 61.00 61.58 1rlb s PRO 86 Cb -0.10 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 1rlb s PRO 86 CO 0.18 -3.38 0.62 0.34 0.04 0.00 0.00 177.00 174.80 1rlb n PHE 87 N -4.52 0.00 -4.32 0.56 7.35 0.51 -4.98 117.46 112.06 1rlb n PHE 87 Ca 0.13 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.49 1rlb n PHE 87 Cb 0.59 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.26 1rlb n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1rlb s HIS 88 N -1.94 2.65 0.44 -5.13 3.76 -1.26 -4.96 115.29 108.85 1rlb s HIS 88 Ca 0.07 -1.47 0.14 0.00 -0.15 0.00 0.00 55.06 53.66 1rlb s HIS 88 Cb 0.10 -1.83 1.05 0.00 1.11 0.00 0.00 32.58 33.00 1rlb s HIS 88 CO 0.43 -0.71 1.98 0.93 -0.85 0.00 0.00 174.74 176.52 1rlb h GLU 89 N 7.71 0.38 0.00 1.40 4.39 -1.98 -3.13 114.58 123.35 1rlb h GLU 89 Ca -0.40 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1rlb h GLU 89 Cb 1.16 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1rlb h GLU 89 CO 0.59 0.25 0.00 -2.39 -1.16 0.00 0.00 179.01 176.30 1rlb n HIS 90 N -4.47 0.00 -4.38 4.33 1.44 -1.26 -4.02 115.22 106.86 1rlb n HIS 90 Ca 0.10 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.46 1rlb n HIS 90 Cb 0.38 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.40 1rlb n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rlb s ALA 91 N -2.00 3.24 0.05 1.59 0.00 0.81 -4.90 121.76 120.55 1rlb s ALA 91 Ca 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1rlb s ALA 91 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 1rlb s ALA 91 CO 0.00 0.53 -0.17 -1.21 0.00 0.00 0.00 175.76 174.91 1rlb s GLU 92 N -0.69 1.06 -0.50 0.00 2.02 -1.26 0.03 118.70 119.36 1rlb s GLU 92 Ca 0.11 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.31 1rlb s GLU 92 Cb -0.12 -1.12 0.26 0.00 0.10 0.00 0.00 34.13 33.25 1rlb s GLU 92 CO 0.02 0.28 0.64 0.28 0.02 0.00 0.00 175.26 176.49 1rlb n VAL 93 N 1.75 0.72 -2.14 2.63 0.31 -0.58 -5.00 118.33 116.01 1rlb n VAL 93 Ca -0.18 -4.59 -0.43 0.00 -0.01 0.00 0.00 64.34 59.13 1rlb n VAL 93 Cb 0.54 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.50 1rlb n VAL 93 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1rlb s VAL 94 N -1.86 3.71 -0.06 2.52 1.01 -1.26 -3.90 120.40 120.56 1rlb s VAL 94 Ca 0.38 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 1rlb s VAL 94 Cb 0.17 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1rlb s VAL 94 CO -0.07 -0.38 0.14 0.72 0.00 0.00 0.00 175.10 175.50 1rlb s PHE 95 N 5.51 -0.15 -0.88 5.22 -0.71 -0.43 -4.97 117.98 121.56 1rlb s PHE 95 Ca 0.71 0.44 -0.25 0.00 -1.04 0.00 0.00 56.93 56.79 1rlb s PHE 95 Cb -0.22 -0.08 0.03 0.00 -1.21 0.00 0.00 43.02 41.54 1rlb s PHE 95 CO 0.30 -0.15 1.47 0.99 -1.34 0.00 0.00 175.22 176.49 1rlb s THR 96 N 1.02 3.77 -0.38 -4.49 2.01 -1.26 -0.26 115.64 116.05 1rlb s THR 96 Ca -0.08 -0.26 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1rlb s THR 96 Cb -0.10 -4.83 0.11 0.00 0.01 0.00 0.00 72.50 67.69 1rlb s THR 96 CO -0.05 -1.74 0.10 0.00 -0.69 0.00 0.00 174.62 172.24 1rlb s ALA 97 N 6.04 2.99 0.00 7.40 0.00 -1.15 -4.65 121.76 132.38 1rlb s ALA 97 Ca 0.46 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.76 1rlb s ALA 97 Cb -0.04 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1rlb s ALA 97 CO 0.02 -1.75 0.00 -1.71 0.00 0.00 0.00 175.76 172.31 1rlb n ASN 98 N 4.08 0.00 0.00 0.00 2.85 -0.63 -4.55 115.26 117.01 1rlb n ASN 98 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1rlb n ASN 98 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1rlb n ASN 98 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1rlb n ASP 99 N 0.00 0.00 -0.30 1.20 9.92 -1.25 -0.56 116.55 125.56 1rlb n ASP 99 Ca 0.00 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1rlb n ASP 99 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1rlb n ASP 99 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1rlb n SER 100 N -0.22 0.46 0.00 -2.24 7.64 -1.26 -4.86 113.62 113.14 1rlb n SER 100 Ca 0.00 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.34 1rlb n SER 100 Cb 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1rlb n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rlb n GLY 101 N 0.18 2.91 3.55 0.23 0.00 0.27 -4.97 105.19 107.37 1rlb n GLY 101 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1rlb n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rlb s PRO 102 N -0.12 2.19 0.23 1.61 0.04 -1.26 -4.80 135.00 132.89 1rlb s PRO 102 Ca 0.00 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 61.91 1rlb s PRO 102 Cb 0.00 -4.61 0.23 0.00 0.04 0.00 0.00 34.50 30.16 1rlb s PRO 102 CO 0.00 -3.34 1.61 -0.09 0.04 0.00 0.00 177.00 175.22 1rlb h ARG 103 N 16.45 0.57 -6.54 4.56 9.65 -1.92 -3.44 114.38 133.71 1rlb h ARG 103 Ca -0.17 -0.28 -0.56 0.00 -1.10 0.00 0.00 59.98 57.87 1rlb h ARG 103 Cb 1.17 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.69 1rlb h ARG 103 CO 1.16 0.86 1.04 1.03 2.80 0.00 0.00 179.97 186.85 1rlb s ARG 104 N -4.30 3.52 -0.07 0.20 1.81 -0.99 -4.54 118.95 114.58 1rlb s ARG 104 Ca -0.08 0.64 0.02 0.00 -1.72 0.00 0.00 55.73 54.59 1rlb s ARG 104 Cb 0.13 -4.03 -0.02 0.00 -0.45 0.00 0.00 34.95 30.57 1rlb s ARG 104 CO 0.82 -1.65 -0.13 0.71 -0.68 0.00 0.00 175.30 174.37 1rlb s TYR 105 N 5.36 2.76 -0.20 -0.53 1.51 0.67 0.76 117.35 127.68 1rlb s TYR 105 Ca 0.54 -0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 56.31 1rlb s TYR 105 Cb -0.11 -1.69 0.08 0.00 -0.11 0.00 0.00 41.96 40.13 1rlb s TYR 105 CO 0.30 0.11 0.15 0.99 -1.11 0.00 0.00 175.55 175.99 1rlb s THR 106 N -0.48 -0.19 -0.22 -0.71 2.01 -1.18 -2.36 115.64 112.50 1rlb s THR 106 Ca 0.06 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 1rlb s THR 106 Cb -0.12 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 1rlb s THR 106 CO 0.02 -0.32 0.14 -0.63 -0.69 0.00 0.00 174.62 173.14 1rlb s ILE 107 N 2.21 5.25 0.18 1.82 1.09 -0.01 -2.05 121.20 129.69 1rlb s ILE 107 Ca 0.05 0.14 0.09 0.00 -1.10 0.00 0.00 60.65 59.82 1rlb s ILE 107 Cb -0.16 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 1rlb s ILE 107 CO -0.15 0.38 -0.09 0.00 -0.10 0.00 0.00 174.94 174.99 1rlb s ALA 108 N 0.84 2.96 0.06 9.38 0.00 -0.86 -0.69 121.76 133.45 1rlb s ALA 108 Ca 0.07 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1rlb s ALA 108 Cb -0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1rlb s ALA 108 CO 0.02 0.46 -0.05 0.00 0.00 0.00 0.00 175.76 176.20 1rlb s ALA 109 N -1.73 0.57 -0.03 0.00 0.00 -0.04 -2.27 121.76 118.27 1rlb s ALA 109 Ca 0.25 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1rlb s ALA 109 Cb -0.09 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1rlb s ALA 109 CO 0.15 -0.23 -0.12 -1.17 0.00 0.00 0.00 175.76 174.40 1rlb s LEU 110 N -2.43 1.86 -0.01 0.00 2.96 0.70 -1.72 118.68 120.03 1rlb s LEU 110 Ca 0.01 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1rlb s LEU 110 Cb 0.01 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 46.01 1rlb s LEU 110 CO -0.05 0.10 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.28 1rlb s LEU 111 N 0.07 1.82 0.02 -0.68 1.43 -0.39 -2.19 118.68 118.77 1rlb s LEU 111 Ca -0.02 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1rlb s LEU 111 Cb -0.09 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 1rlb s LEU 111 CO 0.01 0.03 0.02 -0.44 0.23 0.00 0.00 176.35 176.20 1rlb s SER 112 N 0.15 0.23 0.12 2.29 0.01 -0.62 0.02 113.70 115.91 1rlb s SER 112 Ca -0.01 -0.53 -0.09 0.00 1.31 0.00 0.00 55.95 56.63 1rlb s SER 112 Cb -0.05 0.15 0.13 0.00 0.21 0.00 0.00 66.02 66.46 1rlb s SER 112 CO -0.00 -0.39 0.80 -2.65 0.41 0.00 0.00 173.24 171.41 1rlb n PRO 113 N 1.22 -0.12 -0.24 12.44 -0.02 -1.26 -2.69 135.00 144.33 1rlb n PRO 113 Ca -0.22 0.80 0.09 0.00 -2.02 0.00 0.00 63.50 62.15 1rlb n PRO 113 Cb 0.57 -1.19 0.19 0.00 -0.02 0.00 0.00 33.50 33.05 1rlb n PRO 113 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rlb n TYR 114 N -4.77 0.46 -3.58 6.00 4.02 -1.26 -0.36 117.16 117.67 1rlb n TYR 114 Ca 0.05 -0.89 -0.15 0.00 -0.01 0.00 0.00 57.90 56.90 1rlb n TYR 114 Cb 0.21 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.25 1rlb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1rlb s SER 115 N -2.24 -0.68 0.10 7.72 0.15 -1.09 -4.98 113.70 112.68 1rlb s SER 115 Ca 0.34 1.06 -0.13 0.00 0.70 0.00 0.00 55.95 57.92 1rlb s SER 115 Cb 0.28 0.99 0.02 0.00 -1.71 0.00 0.00 66.02 65.61 1rlb s SER 115 CO 0.06 -0.40 0.32 -0.72 1.20 0.00 0.00 173.24 173.70 1rlb s TYR 116 N -0.35 -0.08 -0.13 3.44 1.13 -1.26 -1.58 117.35 118.52 1rlb s TYR 116 Ca -0.04 -0.24 -0.14 0.00 -1.41 0.00 0.00 57.07 55.24 1rlb s TYR 116 Cb -0.03 0.13 0.04 0.00 -1.10 0.00 0.00 41.96 41.00 1rlb s TYR 116 CO 0.04 -0.62 0.38 -1.54 -2.51 0.00 0.00 175.55 171.30 1rlb s SER 117 N -2.70 -0.38 0.06 -0.18 1.04 -0.93 -5.02 113.70 105.59 1rlb s SER 117 Ca 0.02 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.13 1rlb s SER 117 Cb 0.02 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1rlb s SER 117 CO -0.10 -0.18 -0.01 0.28 0.98 0.00 0.00 173.24 174.21 1rlb s THR 118 N 0.01 0.20 0.02 2.02 -1.32 -1.26 -0.22 115.64 115.09 1rlb s THR 118 Ca -0.02 -1.81 -0.07 0.00 -1.21 0.00 0.00 61.69 58.58 1rlb s THR 118 Cb -0.03 -1.58 -0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1rlb s THR 118 CO 0.01 -0.92 0.13 0.28 -2.21 0.00 0.00 174.62 171.91 1rlb s THR 119 N -3.94 0.11 0.02 5.08 -1.32 -0.96 -5.03 115.64 109.60 1rlb s THR 119 Ca 0.09 -0.87 0.05 0.00 -1.21 0.00 0.00 61.69 59.75 1rlb s THR 119 Cb 0.08 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 1rlb s THR 119 CO -0.08 -0.48 -0.10 0.00 -2.21 0.00 0.00 174.62 171.74 1rlb s ALA 120 N -2.01 2.89 -0.50 11.08 0.00 -1.26 -2.02 121.76 129.94 1rlb s ALA 120 Ca -0.10 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.83 1rlb s ALA 120 Cb -0.04 -1.00 0.18 0.00 0.00 0.00 0.00 23.12 22.25 1rlb s ALA 120 CO -0.01 0.60 0.41 0.28 0.00 0.00 0.00 175.76 177.04 1rlb n VAL 121 N 1.50 -0.29 -2.90 0.00 0.31 -0.87 -5.00 118.33 111.08 1rlb n VAL 121 Ca -0.15 -3.92 -0.43 0.00 -0.01 0.00 0.00 64.34 59.83 1rlb n VAL 121 Cb 0.52 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 1rlb n VAL 121 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1rlb s VAL 122 N -0.53 4.52 -0.10 2.52 1.01 -1.26 -3.12 120.40 123.44 1rlb s VAL 122 Ca 0.31 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1rlb s VAL 122 Cb 0.03 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1rlb s VAL 122 CO -0.18 -0.94 -0.03 0.42 0.00 0.00 0.00 175.10 174.37 1rlb s THR 123 N 3.61 4.02 0.16 3.92 -4.23 0.23 -4.98 115.64 118.37 1rlb s THR 123 Ca 0.30 -0.34 -0.32 0.00 -1.18 0.00 0.00 61.69 60.15 1rlb s THR 123 Cb -0.13 -2.70 -0.10 0.00 1.34 0.00 0.00 72.50 70.91 1rlb s THR 123 CO 0.20 0.57 1.64 0.21 -0.54 0.00 0.00 174.62 176.71 1rlb s ASN 124 N -0.49 6.51 0.00 3.99 3.84 -1.26 -2.33 114.94 125.20 1rlb s ASN 124 Ca 0.08 2.69 0.00 0.00 0.21 0.00 0.00 52.86 55.84 1rlb s ASN 124 Cb -0.12 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1rlb s ASN 124 CO 0.02 -0.89 0.00 -0.81 -2.79 0.00 0.00 177.10 172.63 1rlb n PRO 125 N 4.29 0.00 -2.96 0.43 -0.04 -1.26 -4.74 135.00 130.72 1rlb n PRO 125 Ca 0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.47 1rlb n PRO 125 Cb 0.38 -0.03 0.02 0.00 -0.04 0.00 0.00 33.50 33.83 1rlb n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1rlb n LYS 126 N 0.00 1.01 -0.82 0.54 5.02 -1.26 -5.11 118.16 117.55 1rlb n LYS 126 Ca 0.00 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 1rlb n LYS 126 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1rlb n LYS 126 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27