#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ycl h GLU 5 N 0.00 -0.49 -0.31 5.55 4.22 -2.01 -2.57 114.58 118.97 1ycl h GLU 5 Ca 0.00 0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.56 1ycl h GLU 5 Cb 0.00 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ycl h GLU 5 CO 0.00 -0.33 0.25 1.03 -2.18 0.00 0.00 179.01 177.78 1ycl h SER 6 N -0.51 0.00 0.77 1.04 0.87 -1.97 -0.31 113.55 113.44 1ycl h SER 6 Ca 0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1ycl h SER 6 Cb 0.60 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1ycl h SER 6 CO -0.29 0.00 -0.04 -0.26 -0.53 0.00 0.00 176.83 175.71 1ycl h PHE 7 N 0.00 0.00 -0.01 2.24 0.04 -1.95 -2.68 116.94 114.58 1ycl h PHE 7 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1ycl h PHE 7 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.79 1ycl h PHE 7 CO 0.00 0.04 -0.26 0.39 -0.60 0.00 0.00 178.31 177.88 1ycl n GLU 8 N -3.17 0.83 -2.75 1.51 -0.58 -0.13 -4.89 120.64 111.46 1ycl n GLU 8 Ca -0.00 -0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 55.85 1ycl n GLU 8 Cb 0.27 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.60 1ycl n GLU 8 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ycl s LEU 9 N -2.51 4.56 -0.74 -4.62 2.96 -1.01 -4.98 118.68 112.34 1ycl s LEU 9 Ca 0.24 1.84 -0.25 0.00 -0.22 0.00 0.00 54.13 55.75 1ycl s LEU 9 Cb 0.19 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.35 1ycl s LEU 9 CO 0.52 0.03 1.18 -0.62 -1.32 0.00 0.00 176.35 176.13 1ycl s ASP 10 N -0.47 6.21 0.52 3.68 -1.08 -1.26 -4.84 116.67 119.43 1ycl s ASP 10 Ca 0.44 -0.78 0.34 0.00 -0.52 0.00 0.00 52.55 52.03 1ycl s ASP 10 Cb -0.24 -2.50 1.47 0.00 -1.46 0.00 0.00 42.92 40.18 1ycl s ASP 10 CO 0.30 -1.64 1.99 0.45 0.52 0.00 0.00 175.17 176.80 1ycl h HIS 11 N 9.80 0.00 0.00 -5.34 3.86 -1.93 -2.49 115.15 119.05 1ycl h HIS 11 Ca -0.23 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.83 1ycl h HIS 11 Cb 1.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.50 1ycl h HIS 11 CO 1.09 0.00 -0.70 -0.91 0.86 0.00 0.00 177.93 178.26 1ycl h ASN 12 N 0.00 0.00 1.09 2.45 2.35 -1.92 -3.33 115.58 116.23 1ycl h ASN 12 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1ycl h ASN 12 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ycl h ASN 12 CO 0.00 0.70 -0.92 0.00 -1.65 0.00 0.00 177.43 175.56 1ycl h ALA 13 N 1.30 0.59 -2.33 -0.83 0.00 -1.86 -3.48 119.26 112.65 1ycl h ALA 13 Ca -0.01 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 54.24 1ycl h ALA 13 Cb 1.43 0.04 0.11 0.00 0.00 0.00 0.00 17.79 19.37 1ycl h ALA 13 CO 0.09 0.17 0.34 0.14 0.00 0.00 0.00 179.25 179.99 1ycl s VAL 14 N -3.26 3.60 -0.31 0.00 -7.23 -1.14 -4.68 120.40 107.37 1ycl s VAL 14 Ca 0.00 0.52 -0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1ycl s VAL 14 Cb 0.09 -3.14 0.10 0.00 0.56 0.00 0.00 36.38 33.98 1ycl s VAL 14 CO 0.78 -0.68 0.09 -0.69 -0.31 0.00 0.00 175.10 174.29 1ycl s VAL 15 N -2.99 0.99 0.62 1.32 1.01 -0.11 -4.94 120.40 116.29 1ycl s VAL 15 Ca 0.60 -1.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1ycl s VAL 15 Cb -0.16 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1ycl s VAL 15 CO 0.55 -0.63 1.04 0.00 0.00 0.00 0.00 175.10 176.06 1ycl s ALA 16 N 1.57 2.83 0.37 5.51 0.00 -1.26 -4.43 121.76 126.34 1ycl s ALA 16 Ca 0.09 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.06 1ycl s ALA 16 Cb -0.17 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1ycl s ALA 16 CO -0.23 -0.82 0.84 -2.14 0.00 0.00 0.00 175.76 173.41 1ycl s PRO 17 N -4.53 4.15 0.25 0.00 0.02 -1.26 -4.84 135.00 128.78 1ycl s PRO 17 Ca 0.60 0.91 -0.16 0.00 0.02 0.00 0.00 61.00 62.37 1ycl s PRO 17 Cb -0.14 -2.36 0.01 0.00 0.02 0.00 0.00 34.50 32.04 1ycl s PRO 17 CO 0.44 0.09 0.56 1.52 -0.33 0.00 0.00 177.00 179.28 1ycl s TYR 18 N -2.03 0.08 -0.18 6.54 -0.85 -0.29 -4.45 117.35 116.16 1ycl s TYR 18 Ca 0.57 -0.47 0.01 0.00 -0.52 0.00 0.00 57.07 56.66 1ycl s TYR 18 Cb -0.10 0.40 0.03 0.00 0.38 0.00 0.00 41.96 42.66 1ycl s TYR 18 CO 0.16 -1.05 -0.16 0.08 -1.52 0.00 0.00 175.55 173.06 1ycl s VAL 19 N -3.95 1.83 -0.13 -3.49 1.01 -0.37 -1.36 120.40 113.94 1ycl s VAL 19 Ca 0.16 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1ycl s VAL 19 Cb -0.02 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1ycl s VAL 19 CO 0.06 0.41 -0.19 -0.60 0.00 0.00 0.00 175.10 174.77 1ycl s ARG 20 N 1.36 2.68 -0.86 2.72 3.52 -0.38 -4.73 118.95 123.27 1ycl s ARG 20 Ca 0.03 -0.73 -0.24 0.00 -0.13 0.00 0.00 55.73 54.66 1ycl s ARG 20 Cb -0.14 -2.20 0.05 0.00 -1.56 0.00 0.00 34.95 31.11 1ycl s ARG 20 CO -0.11 -0.03 1.29 -1.58 -0.81 0.00 0.00 175.30 174.06 1ycl s HIS 21 N 0.88 2.52 -1.16 5.12 5.65 -1.26 -0.07 115.29 126.96 1ycl s HIS 21 Ca -0.07 -0.57 0.22 0.00 0.25 0.00 0.00 55.06 54.88 1ycl s HIS 21 Cb -0.15 -4.57 -0.07 0.00 -1.18 0.00 0.00 32.58 26.60 1ycl s HIS 21 CO -0.02 -1.90 1.02 0.00 -0.65 0.00 0.00 174.74 173.19 1ycl s GLY 23 N -2.92 -0.58 -0.12 0.00 0.00 -1.05 -4.97 107.32 97.69 1ycl s GLY 23 Ca 0.10 1.00 -0.09 0.00 0.00 0.00 0.00 44.72 45.74 1ycl s GLY 23 CO 0.80 0.62 0.30 0.54 0.00 0.00 0.00 173.10 175.35 1ycl s VAL 24 N -2.28 -0.02 -0.01 1.40 0.11 -1.26 -0.82 120.40 117.52 1ycl s VAL 24 Ca -0.05 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.09 1ycl s VAL 24 Cb -0.00 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 1ycl s VAL 24 CO -0.00 0.02 -0.10 -1.00 -3.33 0.00 0.00 175.10 170.69 1ycl s HIS 25 N 0.69 0.91 0.09 1.54 3.76 0.15 -4.97 115.29 117.46 1ycl s HIS 25 Ca -0.04 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.39 1ycl s HIS 25 Cb -0.06 -0.59 -0.06 0.00 1.11 0.00 0.00 32.58 32.99 1ycl s HIS 25 CO -0.04 -0.02 1.08 0.21 -0.85 0.00 0.00 174.74 175.11 1ycl s LYS 26 N -0.20 4.56 -0.08 1.40 2.47 -1.26 -0.87 119.74 125.75 1ycl s LYS 26 Ca 0.03 1.62 -0.01 0.00 -1.56 0.00 0.00 55.97 56.05 1ycl s LYS 26 Cb -0.04 -3.36 0.03 0.00 -1.46 0.00 0.00 37.83 33.00 1ycl s LYS 26 CO -0.00 -0.03 -0.02 0.08 0.16 0.00 0.00 175.35 175.54 1ycl s VAL 27 N 0.47 0.55 0.00 4.02 1.01 -0.02 -4.91 120.40 121.53 1ycl s VAL 27 Ca 0.52 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ycl s VAL 27 Cb -0.26 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1ycl s VAL 27 CO 0.31 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1ycl n GLY 28 N 5.09 -0.45 0.07 4.51 0.00 -1.26 -0.88 105.19 112.27 1ycl n GLY 28 Ca -0.08 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.94 1ycl n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ycl n THR 29 N 0.00 0.46 -1.44 2.61 -2.24 -1.26 -4.55 114.28 107.86 1ycl n THR 29 Ca 0.00 -0.56 0.01 0.00 -2.27 0.00 0.00 64.05 61.22 1ycl n THR 29 Cb 0.00 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 1ycl n THR 29 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ycl n ASP 30 N -2.53 0.22 -4.78 3.42 5.68 -1.26 -5.10 116.55 112.19 1ycl n ASP 30 Ca -0.05 -1.64 -0.22 0.00 -0.50 0.00 0.00 54.79 52.38 1ycl n ASP 30 Cb 0.63 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 1ycl n ASP 30 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ycl s GLY 31 N -0.68 1.76 0.02 6.12 0.00 -0.06 -5.01 107.32 109.47 1ycl s GLY 31 Ca 0.02 -1.67 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 1ycl s GLY 31 CO 0.00 -1.64 0.28 -1.34 0.00 0.00 0.00 173.10 170.41 1ycl s VAL 32 N -2.32 0.08 -0.09 1.40 -7.23 -1.26 -0.84 120.40 110.14 1ycl s VAL 32 Ca 0.37 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 1ycl s VAL 32 Cb -0.05 -0.81 0.01 0.00 0.56 0.00 0.00 36.38 36.09 1ycl s VAL 32 CO 0.24 -0.36 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.81 1ycl s VAL 33 N -2.11 1.60 0.04 1.32 1.01 -0.05 -1.10 120.40 121.11 1ycl s VAL 33 Ca -0.08 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1ycl s VAL 33 Cb -0.03 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1ycl s VAL 33 CO -0.01 0.46 -0.07 0.20 0.00 0.00 0.00 175.10 175.68 1ycl s ASN 34 N 0.67 4.56 -0.03 3.32 0.01 -0.11 -0.67 114.94 122.69 1ycl s ASN 34 Ca -0.13 -0.22 0.07 0.00 -0.71 0.00 0.00 52.86 51.87 1ycl s ASN 34 Cb -0.16 -1.01 -0.02 0.00 0.41 0.00 0.00 41.25 40.47 1ycl s ASN 34 CO 0.03 0.25 -0.26 -0.75 -1.51 0.00 0.00 177.10 174.87 1ycl s LYS 35 N -1.68 2.28 -0.02 -0.60 2.20 -0.00 -0.91 119.74 121.01 1ycl s LYS 35 Ca 0.19 -0.92 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1ycl s LYS 35 Cb -0.11 -2.08 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 1ycl s LYS 35 CO 0.10 0.49 -0.19 -0.06 -0.36 0.00 0.00 175.35 175.33 1ycl s PHE 36 N -0.44 1.68 -0.47 4.03 0.40 0.38 -2.03 117.98 121.53 1ycl s PHE 36 Ca 0.05 -0.33 -0.20 0.00 -0.60 0.00 0.00 56.93 55.85 1ycl s PHE 36 Cb -0.11 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.37 1ycl s PHE 36 CO 0.01 -0.04 0.62 0.34 0.70 0.00 0.00 175.22 176.85 1ycl s ASP 37 N -0.40 6.26 -0.78 1.36 2.15 0.90 -0.62 116.67 125.53 1ycl s ASP 37 Ca 0.06 -0.66 -0.15 0.00 0.43 0.00 0.00 52.55 52.23 1ycl s ASP 37 Cb -0.08 -2.30 0.19 0.00 -0.30 0.00 0.00 42.92 40.44 1ycl s ASP 37 CO -0.00 -0.82 0.76 -0.63 -0.17 0.00 0.00 175.17 174.30 1ycl s ILE 38 N 2.68 5.41 -0.43 4.11 -1.09 0.29 -1.24 121.20 130.92 1ycl s ILE 38 Ca 0.18 -2.13 -0.19 0.00 -2.23 0.00 0.00 60.65 56.28 1ycl s ILE 38 Cb -0.17 -4.48 0.02 0.00 -1.58 0.00 0.00 42.46 36.25 1ycl s ILE 38 CO 0.15 -1.06 0.52 -0.60 -1.23 0.00 0.00 174.94 172.72 1ycl s ARG 39 N 0.81 3.16 -0.08 2.79 6.06 -0.47 -1.18 118.95 130.05 1ycl s ARG 39 Ca 0.17 -0.62 -0.15 0.00 -2.50 0.00 0.00 55.73 52.63 1ycl s ARG 39 Cb -0.14 -3.97 -0.29 0.00 0.06 0.00 0.00 34.95 30.62 1ycl s ARG 39 CO -0.06 -0.93 0.64 0.74 -2.50 0.00 0.00 175.30 173.19 1ycl h PHE 40 N 8.79 0.56 -3.23 5.12 -1.00 -1.28 -0.77 116.94 125.13 1ycl h PHE 40 Ca -0.26 -0.41 -0.65 0.00 2.81 0.00 0.00 57.97 59.46 1ycl h PHE 40 Cb 1.10 -0.02 -0.11 0.00 3.61 0.00 0.00 35.95 40.53 1ycl h PHE 40 CO 0.66 1.57 -0.61 0.00 -1.61 0.00 0.00 178.31 178.32 1ycl s GLN 42 N -1.92 4.08 -0.08 0.00 2.00 -1.26 -4.80 119.66 117.68 1ycl s GLN 42 Ca 0.24 1.76 -0.38 0.00 -2.00 0.00 0.00 55.36 54.98 1ycl s GLN 42 Cb -0.12 -3.90 -0.16 0.00 0.80 0.00 0.00 33.01 29.63 1ycl s GLN 42 CO 0.15 -0.93 1.52 -2.30 -0.50 0.00 0.00 175.29 173.24 1ycl n PRO 43 N 7.08 1.13 -1.31 1.67 -0.02 -1.26 -1.54 135.00 140.75 1ycl n PRO 43 Ca 0.16 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1ycl n PRO 43 Cb 0.45 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 1ycl n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ycl n ASN 44 N 3.83 -5.08 0.00 2.55 3.02 -1.26 -4.76 115.26 113.56 1ycl n ASN 44 Ca 0.22 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1ycl n ASN 44 Cb 0.16 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 1ycl n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ycl n LYS 45 N -1.65 0.00 -4.18 3.52 4.76 -0.59 -5.09 118.16 114.94 1ycl n LYS 45 Ca -0.11 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.22 1ycl n LYS 45 Cb 0.49 -0.46 -0.10 0.00 -1.84 0.00 0.00 35.03 33.12 1ycl n LYS 45 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ycl s GLN 46 N -1.99 0.87 0.07 1.97 1.11 -0.79 -5.02 119.66 115.87 1ycl s GLN 46 Ca 0.00 -1.36 -0.23 0.00 0.01 0.00 0.00 55.36 53.78 1ycl s GLN 46 Cb 0.00 -0.20 0.06 0.00 -1.01 0.00 0.00 33.01 31.86 1ycl s GLN 46 CO 0.00 -0.04 0.56 0.00 0.01 0.00 0.00 175.29 175.82 1ycl s ALA 47 N -3.64 -1.44 0.44 6.09 0.00 -1.26 -4.27 121.76 117.68 1ycl s ALA 47 Ca 0.13 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1ycl s ALA 47 Cb 0.05 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1ycl s ALA 47 CO -0.04 -0.56 0.73 -1.64 0.00 0.00 0.00 175.76 174.24 1ycl s MET 48 N -2.69 3.55 0.41 0.00 -1.94 -0.08 -5.04 119.30 113.50 1ycl s MET 48 Ca -0.04 0.10 -0.13 0.00 -1.71 0.00 0.00 55.69 53.91 1ycl s MET 48 Cb -0.00 -2.45 -0.07 0.00 2.01 0.00 0.00 34.83 34.31 1ycl s MET 48 CO -0.04 -0.10 0.80 0.15 -0.01 0.00 0.00 175.02 175.82 1ycl s LYS 49 N -4.55 3.87 0.22 2.03 1.02 -1.26 -4.89 119.74 116.18 1ycl s LYS 49 Ca 0.46 0.62 -0.09 0.00 0.02 0.00 0.00 55.97 56.98 1ycl s LYS 49 Cb -0.10 -2.35 0.34 0.00 -0.52 0.00 0.00 37.83 35.20 1ycl s LYS 49 CO 0.42 -0.03 1.69 -1.35 -0.92 0.00 0.00 175.35 175.15 1ycl h PRO 50 N 1.45 0.22 -0.27 -1.68 0.11 -1.98 -0.96 132.00 128.88 1ycl h PRO 50 Ca -0.47 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1ycl h PRO 50 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ycl h PRO 50 CO 0.64 0.14 -0.28 0.38 -0.21 0.00 0.00 178.00 178.67 1ycl h ASP 51 N 0.22 0.56 0.12 -2.05 3.04 -1.92 -1.14 116.42 115.25 1ycl h ASP 51 Ca 0.34 -0.20 -0.01 0.00 -3.24 0.00 0.00 57.03 53.93 1ycl h ASP 51 Cb 0.55 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 1ycl h ASP 51 CO -0.47 0.82 -0.06 0.74 -2.04 0.00 0.00 179.24 178.23 1ycl h THR 52 N 0.47 1.01 -0.69 1.15 2.02 -1.67 -1.06 112.91 114.15 1ycl h THR 52 Ca 0.06 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 66.80 1ycl h THR 52 Cb 0.73 1.35 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 1ycl h THR 52 CO 0.06 0.13 0.31 0.40 0.37 0.00 0.00 175.52 176.79 1ycl h ILE 53 N -0.42 0.79 0.12 3.11 2.04 -1.08 0.10 117.51 122.17 1ycl h ILE 53 Ca -0.02 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1ycl h ILE 53 Cb 0.34 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ycl h ILE 53 CO 0.03 0.09 -0.06 -0.74 0.00 0.00 0.00 178.15 177.47 1ycl h HIS 54 N 0.52 -0.15 -0.43 1.37 2.76 -1.10 -0.25 115.15 117.87 1ycl h HIS 54 Ca 0.35 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 1ycl h HIS 54 Cb 0.42 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1ycl h HIS 54 CO -0.14 0.01 0.21 1.15 -1.30 0.00 0.00 177.93 177.86 1ycl h THR 55 N -0.28 1.18 -0.28 6.26 2.02 -0.77 -1.80 112.91 119.24 1ycl h THR 55 Ca -0.02 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1ycl h THR 55 Cb 0.22 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1ycl h THR 55 CO 0.03 0.19 0.03 0.25 0.37 0.00 0.00 175.52 176.39 1ycl h LEU 56 N 0.55 0.39 0.20 2.58 5.85 -0.93 0.07 115.31 124.01 1ycl h LEU 56 Ca 0.15 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ycl h LEU 56 Cb 0.12 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1ycl h LEU 56 CO -0.02 0.43 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.31 1ycl h GLU 57 N 0.41 -0.30 0.01 1.25 4.81 -0.54 0.16 114.58 120.38 1ycl h GLU 57 Ca 0.10 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1ycl h GLU 57 Cb 0.23 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1ycl h GLU 57 CO 0.00 -0.20 -0.07 0.45 -0.73 0.00 0.00 179.01 178.46 1ycl h HIS 58 N -0.31 -0.17 -0.50 0.92 3.86 -0.59 -1.50 115.15 116.86 1ycl h HIS 58 Ca -0.02 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1ycl h HIS 58 Cb 0.26 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 1ycl h HIS 58 CO -0.09 -0.11 0.23 -0.07 0.86 0.00 0.00 177.93 178.76 1ycl h LEU 59 N -0.12 0.31 -0.22 2.43 3.38 -0.81 -0.19 115.31 120.09 1ycl h LEU 59 Ca 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ycl h LEU 59 Cb 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ycl h LEU 59 CO -0.07 0.21 -0.02 -0.07 0.09 0.00 0.00 178.44 178.59 1ycl h LEU 60 N 0.45 0.40 -1.04 1.67 3.38 -0.55 -2.17 115.31 117.45 1ycl h LEU 60 Ca 0.23 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1ycl h LEU 60 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1ycl h LEU 60 CO -0.18 0.63 0.11 0.00 0.09 0.00 0.00 178.44 179.09 1ycl h ALA 61 N 0.78 1.22 -0.04 1.53 0.00 -1.12 -0.49 119.26 121.14 1ycl h ALA 61 Ca 0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ycl h ALA 61 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ycl h ALA 61 CO 0.01 0.53 -0.49 0.35 0.00 0.00 0.00 179.25 179.66 1ycl h PHE 62 N 0.77 0.12 0.00 0.00 3.57 -0.94 -3.36 116.94 117.11 1ycl h PHE 62 Ca 0.17 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ycl h PHE 62 Cb 0.31 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1ycl h PHE 62 CO 0.02 0.57 -1.37 0.25 -2.23 0.00 0.00 178.31 175.55 1ycl n THR 63 N -3.95 0.00 -0.00 4.41 -2.24 -0.83 -4.77 114.28 106.90 1ycl n THR 63 Ca -0.02 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1ycl n THR 63 Cb 0.52 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1ycl n THR 63 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ycl h ILE 64 N 0.00 1.07 -0.73 2.28 2.10 -1.23 -3.11 117.51 117.89 1ycl h ILE 64 Ca 0.00 -0.20 0.14 0.00 1.08 0.00 0.00 64.86 65.89 1ycl h ILE 64 Cb 0.45 1.04 -0.05 0.00 -1.09 0.00 0.00 36.82 37.17 1ycl h ILE 64 CO 0.00 0.06 0.49 0.03 -1.08 0.00 0.00 178.15 177.65 1ycl h ARG 65 N 0.07 0.39 -0.22 2.19 3.08 -1.82 -1.48 114.38 116.59 1ycl h ARG 65 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ycl h ARG 65 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1ycl h ARG 65 CO -0.01 0.26 0.09 1.03 -1.07 0.00 0.00 179.97 180.27 1ycl h SER 66 N 0.40 0.29 0.98 7.04 0.87 -1.86 -2.58 113.55 118.69 1ycl h SER 66 Ca 0.35 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1ycl h SER 66 Cb 0.82 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1ycl h SER 66 CO -0.11 0.37 0.00 1.41 -0.53 0.00 0.00 176.83 177.97 1ycl n HIS 67 N -4.82 0.68 0.22 2.24 8.25 -0.65 -2.52 115.22 118.61 1ycl n HIS 67 Ca -0.03 0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.78 1ycl n HIS 67 Cb 0.12 -0.88 0.14 0.00 1.12 0.00 0.00 29.99 30.49 1ycl n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ycl h ALA 68 N 2.45 0.85 -0.46 -1.41 0.00 -0.92 -3.34 119.26 116.44 1ycl h ALA 68 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1ycl h ALA 68 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ycl h ALA 68 CO 0.00 0.00 0.34 0.93 0.00 0.00 0.00 179.25 180.52 1ycl h GLU 69 N 0.00 0.00 0.00 0.00 5.08 -1.22 -0.13 114.58 118.31 1ycl h GLU 69 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ycl h GLU 69 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ycl h GLU 69 CO 0.00 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 178.37 1ycl n LYS 70 N -4.36 0.18 -3.75 2.33 2.85 -1.25 -4.62 118.16 109.54 1ycl n LYS 70 Ca 0.08 0.45 -0.36 0.00 -1.05 0.00 0.00 58.31 57.44 1ycl n LYS 70 Cb 0.55 -1.87 -0.08 0.00 -0.65 0.00 0.00 35.03 32.98 1ycl n LYS 70 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1ycl s TYR 71 N -3.34 3.46 -0.10 5.58 1.51 -0.06 -4.99 117.35 119.40 1ycl s TYR 71 Ca 0.03 0.39 0.21 0.00 -1.01 0.00 0.00 57.07 56.69 1ycl s TYR 71 Cb 0.09 -2.12 -0.24 0.00 -0.11 0.00 0.00 41.96 39.57 1ycl s TYR 71 CO 0.35 0.39 0.57 -0.25 -1.11 0.00 0.00 175.55 175.50 1ycl n ASP 72 N 3.18 0.25 -0.25 2.29 10.43 -1.26 -4.44 116.55 126.76 1ycl n ASP 72 Ca -0.17 0.10 0.14 0.00 2.57 0.00 0.00 54.79 57.44 1ycl n ASP 72 Cb 0.53 1.38 0.59 0.00 1.84 0.00 0.00 41.12 45.46 1ycl n ASP 72 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ycl n HIS 73 N -2.47 0.00 -3.49 1.24 1.44 -1.26 -4.94 115.22 105.74 1ycl n HIS 73 Ca -0.08 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.52 1ycl n HIS 73 Cb 0.67 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 1ycl n HIS 73 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1ycl s PHE 74 N -2.24 -0.44 0.02 -1.40 -0.12 -1.26 -3.55 117.98 108.99 1ycl s PHE 74 Ca 0.34 0.20 -0.01 0.00 -0.05 0.00 0.00 56.93 57.41 1ycl s PHE 74 Cb 0.20 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 43.05 1ycl s PHE 74 CO 0.42 -0.81 -0.02 -0.51 -0.05 0.00 0.00 175.22 174.24 1ycl s ASP 75 N -2.77 0.27 -0.06 1.98 1.01 -0.24 -4.87 116.67 112.00 1ycl s ASP 75 Ca 0.02 -0.58 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 1ycl s ASP 75 Cb -0.00 0.12 -0.02 0.00 1.01 0.00 0.00 42.92 44.03 1ycl s ASP 75 CO -0.12 -0.36 1.05 -0.63 0.21 0.00 0.00 175.17 175.32 1ycl s ILE 76 N -1.90 4.66 -0.21 0.77 -1.09 -1.26 -0.33 121.20 121.84 1ycl s ILE 76 Ca -0.12 1.93 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 1ycl s ILE 76 Cb -0.07 -4.24 -0.15 0.00 -1.58 0.00 0.00 42.46 36.43 1ycl s ILE 76 CO -0.03 0.05 -0.16 -0.38 -1.23 0.00 0.00 174.94 173.19 1ycl n ILE 77 N 4.37 1.21 -3.59 2.92 5.41 0.03 -4.89 119.36 124.82 1ycl n ILE 77 Ca 0.09 -0.49 -0.09 0.00 1.00 0.00 0.00 62.75 63.25 1ycl n ILE 77 Cb 0.49 -1.18 -0.05 0.00 -0.71 0.00 0.00 39.64 38.18 1ycl n ILE 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ycl s ASP 78 N -5.96 -0.32 -0.11 4.38 2.15 -0.85 -4.99 116.67 110.96 1ycl s ASP 78 Ca -0.27 0.36 -0.03 0.00 0.43 0.00 0.00 52.55 53.05 1ycl s ASP 78 Cb 0.07 0.28 0.04 0.00 -0.30 0.00 0.00 42.92 43.01 1ycl s ASP 78 CO 0.51 -0.29 0.05 -0.51 -0.17 0.00 0.00 175.17 174.77 1ycl s ILE 79 N -1.04 0.08 0.09 4.11 2.07 -1.26 -0.59 121.20 124.66 1ycl s ILE 79 Ca 0.00 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 1ycl s ILE 79 Cb -0.01 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1ycl s ILE 79 CO -0.00 0.00 -0.12 -0.44 -1.91 0.00 0.00 174.94 172.47 1ycl s SER 80 N 2.08 1.60 0.48 4.50 0.01 -0.82 -4.91 113.70 116.64 1ycl s SER 80 Ca 0.03 -0.71 -0.22 0.00 1.31 0.00 0.00 55.95 56.36 1ycl s SER 80 Cb -0.14 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1ycl s SER 80 CO -0.06 -0.16 1.16 -2.84 0.41 0.00 0.00 173.24 171.75 1ycl s PRO 81 N -2.26 3.67 0.18 12.44 0.02 -1.26 -0.30 135.00 147.49 1ycl s PRO 81 Ca 0.02 1.76 -0.18 0.00 0.02 0.00 0.00 61.00 62.61 1ycl s PRO 81 Cb -0.07 -2.33 -0.08 0.00 0.02 0.00 0.00 34.50 32.05 1ycl s PRO 81 CO 0.02 -0.62 0.65 -1.64 -0.33 0.00 0.00 177.00 175.08 1ycl s MET 82 N -2.81 4.17 0.52 5.54 -1.94 -0.35 -4.81 119.30 119.63 1ycl s MET 82 Ca 0.65 0.75 0.35 0.00 -1.71 0.00 0.00 55.69 55.73 1ycl s MET 82 Cb -0.28 -2.96 1.86 0.00 2.01 0.00 0.00 34.83 35.46 1ycl s MET 82 CO 0.34 0.46 2.07 0.78 -0.01 0.00 0.00 175.02 178.66 1ycl h GLY 83 N 3.65 0.00 1.45 -0.03 0.00 -1.95 -1.50 103.07 104.69 1ycl h GLY 83 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ycl h GLY 83 CO 0.65 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.19 1ycl n ALA 84 N -1.96 2.49 -1.44 3.60 0.00 -1.26 -4.90 120.51 117.03 1ycl n ALA 84 Ca -0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1ycl n ALA 84 Cb 0.09 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 1ycl n ALA 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ycl n GLN 85 N -1.23 -1.03 -0.01 0.00 6.02 -0.57 -4.85 117.38 115.72 1ycl n GLN 85 Ca 0.16 1.01 0.08 0.00 -0.01 0.00 0.00 57.00 58.24 1ycl n GLN 85 Cb 0.21 -5.14 0.07 0.00 1.02 0.00 0.00 30.24 26.40 1ycl n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ycl n THR 86 N -2.59 0.05 -2.96 5.09 -2.24 -1.26 -0.91 114.28 109.46 1ycl n THR 86 Ca -0.15 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1ycl n THR 86 Cb 0.49 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 1ycl n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ycl n GLY 87 N 0.85 -0.50 3.29 3.38 0.00 -1.26 -0.85 105.19 110.10 1ycl n GLY 87 Ca 0.09 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 1ycl n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ycl s TYR 88 N -3.24 1.41 -0.13 1.61 1.51 -0.33 -1.21 117.35 116.98 1ycl s TYR 88 Ca 0.00 -0.91 -0.01 0.00 -1.01 0.00 0.00 57.07 55.13 1ycl s TYR 88 Cb 0.00 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1ycl s TYR 88 CO 0.00 -0.06 -0.08 0.71 -1.11 0.00 0.00 175.55 175.01 1ycl s TYR 89 N -3.46 2.93 -0.25 2.71 1.51 0.59 -0.55 117.35 120.83 1ycl s TYR 89 Ca 0.25 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1ycl s TYR 89 Cb 0.05 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1ycl s TYR 89 CO 0.06 -0.01 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.28 1ycl s LEU 90 N 0.08 3.20 -0.21 -1.29 2.96 0.21 -1.94 118.68 121.70 1ycl s LEU 90 Ca -0.02 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1ycl s LEU 90 Cb -0.14 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1ycl s LEU 90 CO 0.03 -0.11 0.09 -0.69 -1.32 0.00 0.00 176.35 174.36 1ycl s VAL 91 N 1.39 4.88 0.07 1.68 1.01 0.24 -0.47 120.40 129.20 1ycl s VAL 91 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1ycl s VAL 91 Cb -0.16 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1ycl s VAL 91 CO -0.03 0.40 -0.09 0.68 0.00 0.00 0.00 175.10 176.06 1ycl s VAL 92 N 0.79 0.75 0.03 2.92 -7.23 -0.08 -0.79 120.40 116.79 1ycl s VAL 92 Ca 0.05 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 1ycl s VAL 92 Cb -0.13 -1.11 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 1ycl s VAL 92 CO 0.02 -0.53 0.37 -0.94 -0.31 0.00 0.00 175.10 173.71 1ycl s SER 93 N -2.17 6.66 0.00 4.85 1.04 0.56 -0.93 113.70 123.70 1ycl s SER 93 Ca 0.00 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1ycl s SER 93 Cb -0.05 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1ycl s SER 93 CO -0.01 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1ycl n GLY 94 N 1.30 -3.00 2.60 7.32 0.00 -0.26 -1.07 105.19 112.08 1ycl n GLY 94 Ca -0.11 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 1ycl n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ycl s GLU 95 N -0.56 1.25 0.71 1.61 2.12 -1.23 -3.98 118.70 118.62 1ycl s GLU 95 Ca 0.00 -2.16 -0.07 0.00 0.36 0.00 0.00 54.97 53.10 1ycl s GLU 95 Cb 0.00 -2.06 0.06 0.00 0.26 0.00 0.00 34.13 32.39 1ycl s GLU 95 CO 0.00 -1.26 1.03 -1.25 -0.54 0.00 0.00 175.26 173.23 1ycl s PRO 96 N 0.06 2.19 0.46 4.30 0.04 -1.26 -5.00 135.00 135.79 1ycl s PRO 96 Ca 0.24 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1ycl s PRO 96 Cb -0.12 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 1ycl s PRO 96 CO -0.09 -1.26 0.68 0.95 0.04 0.00 0.00 177.00 177.32 1ycl s THR 97 N -3.27 3.89 0.35 1.26 -4.23 -1.26 -4.97 115.64 107.42 1ycl s THR 97 Ca 0.60 -0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1ycl s THR 97 Cb -0.11 -3.44 0.13 0.00 1.34 0.00 0.00 72.50 70.42 1ycl s THR 97 CO 0.45 -0.31 1.85 0.28 -0.54 0.00 0.00 174.62 176.35 1ycl h SER 98 N 0.36 0.29 -0.82 3.99 0.02 -1.98 -1.76 113.55 113.66 1ycl h SER 98 Ca -0.46 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.44 1ycl h SER 98 Cb 1.26 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 1ycl h SER 98 CO 0.57 0.49 0.53 0.00 -1.14 0.00 0.00 176.83 177.28 1ycl h ALA 99 N 1.55 1.05 -0.23 3.77 0.00 -1.96 0.13 119.26 123.57 1ycl h ALA 99 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1ycl h ALA 99 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ycl h ALA 99 CO 0.03 0.39 -0.40 0.93 0.00 0.00 0.00 179.25 180.20 1ycl h GLU 100 N 1.06 0.54 -0.53 0.00 5.08 -1.78 -2.30 114.58 116.64 1ycl h GLU 100 Ca 0.31 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1ycl h GLU 100 Cb -0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ycl h GLU 100 CO -0.09 0.85 -0.03 0.82 -1.00 0.00 0.00 179.01 179.56 1ycl h ILE 101 N 0.45 1.26 -0.45 3.13 1.08 -0.47 -1.27 117.51 121.23 1ycl h ILE 101 Ca 0.04 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 1ycl h ILE 101 Cb 0.89 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1ycl h ILE 101 CO 0.08 0.40 0.29 0.58 -0.69 0.00 0.00 178.15 178.80 1ycl h VAL 102 N 0.85 1.12 -0.56 1.67 2.07 -0.49 0.39 116.25 121.30 1ycl h VAL 102 Ca 0.15 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1ycl h VAL 102 Cb 0.54 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1ycl h VAL 102 CO 0.03 0.12 -0.00 0.44 0.02 0.00 0.00 177.57 178.18 1ycl h ASP 103 N 0.60 0.95 -0.13 0.57 3.32 -1.22 -1.40 116.42 119.10 1ycl h ASP 103 Ca 0.16 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ycl h ASP 103 Cb -0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1ycl h ASP 103 CO -0.03 1.01 0.08 0.25 -1.72 0.00 0.00 179.24 178.82 1ycl h LEU 104 N 0.89 0.17 -1.07 1.55 6.46 -0.81 -1.64 115.31 120.87 1ycl h LEU 104 Ca 0.16 -0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1ycl h LEU 104 Cb 0.53 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1ycl h LEU 104 CO 0.03 0.19 0.03 -0.07 -0.62 0.00 0.00 178.44 178.00 1ycl h LEU 105 N 0.13 0.66 -0.18 2.25 3.38 -0.77 0.15 115.31 120.93 1ycl h LEU 105 Ca 0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ycl h LEU 105 Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ycl h LEU 105 CO -0.01 0.71 0.03 -0.08 0.09 0.00 0.00 178.44 179.17 1ycl h GLU 106 N 0.66 0.30 -0.60 1.13 4.81 -0.98 0.95 114.58 120.86 1ycl h GLU 106 Ca 0.14 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1ycl h GLU 106 Cb 0.36 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1ycl h GLU 106 CO 0.01 0.47 0.02 -0.44 -0.73 0.00 0.00 179.01 178.34 1ycl h ASP 107 N 0.09 1.02 0.16 1.04 3.32 -1.15 -0.54 116.42 120.36 1ycl h ASP 107 Ca 0.05 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1ycl h ASP 107 Cb 0.32 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1ycl h ASP 107 CO 0.00 1.06 -0.08 0.74 -1.72 0.00 0.00 179.24 179.24 1ycl h THR 108 N 0.96 0.89 0.00 0.35 2.02 -0.79 -2.97 112.91 113.37 1ycl h THR 108 Ca 0.18 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1ycl h THR 108 Cb 0.53 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1ycl h THR 108 CO 0.03 0.06 -0.21 0.24 0.37 0.00 0.00 175.52 176.01 1ycl h MET 109 N -0.34 0.00 -0.04 6.66 2.86 -0.72 -0.67 114.93 122.68 1ycl h MET 109 Ca -0.02 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1ycl h MET 109 Cb 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1ycl h MET 109 CO 0.04 0.21 -0.29 0.87 1.06 0.00 0.00 176.91 178.79 1ycl h LYS 110 N 0.00 0.08 0.00 1.72 1.57 -0.94 -0.36 116.57 118.64 1ycl h LYS 110 Ca -0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1ycl h LYS 110 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1ycl h LYS 110 CO 0.03 0.36 -0.42 1.49 -0.57 0.00 0.00 179.45 180.34 1ycl h GLU 111 N 0.07 0.00 -0.83 3.15 4.81 -1.28 -3.37 114.58 117.13 1ycl h GLU 111 Ca 0.01 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1ycl h GLU 111 Cb 0.55 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1ycl h GLU 111 CO 0.04 1.00 0.54 0.00 -0.73 0.00 0.00 179.01 179.87 1ycl h ALA 112 N -0.16 1.72 0.00 2.92 0.00 -1.03 0.21 119.26 122.93 1ycl h ALA 112 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ycl h ALA 112 Cb 1.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ycl h ALA 112 CO -0.07 0.10 0.00 1.55 0.00 0.00 0.00 179.25 180.83 1ycl n VAL 113 N -4.52 0.63 0.05 0.00 3.14 -0.16 -2.12 118.33 115.36 1ycl n VAL 113 Ca 0.14 0.16 0.11 0.00 -2.96 0.00 0.00 64.34 61.79 1ycl n VAL 113 Cb 0.33 -0.90 -0.08 0.00 -1.06 0.00 0.00 33.84 32.13 1ycl n VAL 113 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1ycl n GLU 114 N -1.33 0.63 -1.73 1.45 4.07 0.06 -4.95 120.64 118.84 1ycl n GLU 114 Ca 0.07 -0.03 -0.42 0.00 -0.06 0.00 0.00 57.16 56.72 1ycl n GLU 114 Cb 0.14 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 29.81 1ycl n GLU 114 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1ycl n ILE 115 N -2.49 0.65 0.25 6.31 5.41 -0.90 -4.92 119.36 123.67 1ycl n ILE 115 Ca -0.02 -0.16 0.11 0.00 1.00 0.00 0.00 62.75 63.68 1ycl n ILE 115 Cb 0.57 -1.95 -0.11 0.00 -0.71 0.00 0.00 39.64 37.44 1ycl n ILE 115 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1ycl n THR 116 N 2.79 0.11 -4.21 1.39 -2.24 -1.26 -4.90 114.28 105.96 1ycl n THR 116 Ca 0.11 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 1ycl n THR 116 Cb 0.36 0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.56 1ycl n THR 116 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ycl s GLU 117 N -3.37 0.95 0.11 -0.78 2.12 -1.26 -5.11 118.70 111.36 1ycl s GLU 117 Ca -0.03 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 54.85 1ycl s GLU 117 Cb 0.14 -0.93 -0.10 0.00 0.26 0.00 0.00 34.13 33.50 1ycl s GLU 117 CO 0.87 -0.07 1.86 0.42 -0.54 0.00 0.00 175.26 177.80 1ycl s ILE 118 N 0.91 2.61 0.26 -3.70 1.01 -1.26 -4.93 121.20 116.11 1ycl s ILE 118 Ca -0.11 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1ycl s ILE 118 Cb -0.14 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 1ycl s ILE 118 CO 0.00 -0.00 1.37 -2.84 0.00 0.00 0.00 174.94 173.48 1ycl s PRO 119 N 3.07 4.32 -1.38 2.79 0.02 -1.26 -3.27 135.00 139.29 1ycl s PRO 119 Ca 0.82 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 64.05 1ycl s PRO 119 Cb -0.45 -3.12 0.01 0.00 0.02 0.00 0.00 34.50 30.96 1ycl s PRO 119 CO 0.37 -0.32 0.15 0.00 -0.33 0.00 0.00 177.00 176.88 1ycl n ALA 120 N 1.94 -0.80 -1.91 -1.55 0.00 -1.26 -4.88 120.51 112.05 1ycl n ALA 120 Ca 0.05 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 1ycl n ALA 120 Cb 0.41 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 1ycl n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ycl n ALA 121 N -2.53 6.87 -2.33 0.00 0.00 -1.20 -3.88 120.51 117.44 1ycl n ALA 121 Ca -0.15 -4.01 -0.08 0.00 0.00 0.00 0.00 53.44 49.19 1ycl n ALA 121 Cb 0.63 -2.87 -0.09 0.00 0.00 0.00 0.00 19.45 17.12 1ycl n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ycl s ASN 122 N 0.65 0.29 0.50 0.00 2.20 -1.26 -4.91 114.94 112.41 1ycl s ASN 122 Ca 0.56 -0.90 0.21 0.00 -0.94 0.00 0.00 52.86 51.79 1ycl s ASN 122 Cb 0.18 0.29 1.28 0.00 -2.00 0.00 0.00 41.25 40.99 1ycl s ASN 122 CO -0.09 -0.69 2.02 -0.33 -2.94 0.00 0.00 177.10 175.06 1ycl h GLU 123 N 2.91 0.11 -0.14 3.55 5.08 -1.90 -0.07 114.58 124.11 1ycl h GLU 123 Ca -0.34 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 57.79 1ycl h GLU 123 Cb 1.18 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ycl h GLU 123 CO 0.60 0.07 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.68 1ycl h LYS 124 N 0.11 0.74 -0.16 2.33 3.64 -1.97 -3.35 116.57 117.92 1ycl h LYS 124 Ca 0.22 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ycl h LYS 124 Cb 0.72 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1ycl h LYS 124 CO -0.02 1.22 0.00 1.04 -2.27 0.00 0.00 179.45 179.42 1ycl n GLN 125 N -3.92 1.80 -4.12 1.90 6.02 -1.00 -5.00 117.38 113.06 1ycl n GLN 125 Ca -0.07 -1.77 -0.15 0.00 -0.01 0.00 0.00 57.00 55.00 1ycl n GLN 125 Cb 0.75 -1.36 -0.12 0.00 1.02 0.00 0.00 30.24 30.53 1ycl n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ycl h GLY 127 N 4.63 0.00 -5.00 0.00 0.00 -1.88 -3.38 103.07 97.44 1ycl h GLY 127 Ca -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 1ycl h GLY 127 CO 0.42 0.00 -0.44 -0.18 0.00 0.00 0.00 176.54 176.33 1ycl n GLN 128 N -3.16 0.58 -0.15 4.80 7.27 -1.26 -5.03 117.38 120.44 1ycl n GLN 128 Ca 0.01 -1.78 0.28 0.00 0.07 0.00 0.00 57.00 55.58 1ycl n GLN 128 Cb 0.37 -1.30 0.71 0.00 2.41 0.00 0.00 30.24 32.43 1ycl n GLN 128 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ycl h ALA 129 N 4.51 2.73 0.00 1.69 0.00 -1.81 -1.32 119.26 125.05 1ycl h ALA 129 Ca -0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1ycl h ALA 129 Cb 1.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1ycl h ALA 129 CO 0.11 -1.14 -0.55 0.87 0.00 0.00 0.00 179.25 178.54 1ycl h LYS 130 N 0.00 0.00 -3.93 0.00 1.57 -1.96 -3.39 116.57 108.86 1ycl h LYS 130 Ca 0.41 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.46 1ycl h LYS 130 Cb 1.81 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.04 1ycl h LYS 130 CO -0.00 0.55 2.81 -0.11 -0.57 0.00 0.00 179.45 182.12 1ycl n LEU 131 N -3.45 6.75 -4.02 2.94 7.94 -0.50 -4.91 117.00 121.74 1ycl n LEU 131 Ca 0.00 -4.27 -0.08 0.00 -1.11 0.00 0.00 56.01 50.55 1ycl n LEU 131 Cb 0.66 -1.62 -0.10 0.00 0.53 0.00 0.00 43.42 42.89 1ycl n LEU 131 CO 0.40 1.15 -0.35 -1.00 -1.11 0.00 0.00 177.39 176.49 1ycl s HIS 132 N 2.49 0.37 -0.41 1.96 3.76 -1.26 -4.51 115.29 117.69 1ycl s HIS 132 Ca 0.45 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.68 1ycl s HIS 132 Cb 0.12 -0.27 0.18 0.00 1.11 0.00 0.00 32.58 33.72 1ycl s HIS 132 CO -0.06 -0.29 0.60 0.34 -0.85 0.00 0.00 174.74 174.48 1ycl s ASP 133 N -2.15 -1.16 0.30 1.40 3.68 -1.21 -4.87 116.67 112.66 1ycl s ASP 133 Ca -0.05 -0.93 -0.01 0.00 2.13 0.00 0.00 52.55 53.68 1ycl s ASP 133 Cb -0.01 1.77 0.45 0.00 -1.45 0.00 0.00 42.92 43.67 1ycl s ASP 133 CO -0.05 -0.18 1.93 0.25 0.13 0.00 0.00 175.17 177.25 1ycl h LEU 134 N 6.94 0.88 -0.81 -1.34 5.85 -1.96 -1.76 115.31 123.10 1ycl h LEU 134 Ca 0.05 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1ycl h LEU 134 Cb 1.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1ycl h LEU 134 CO 0.11 0.69 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.55 1ycl h GLU 135 N 1.01 0.87 -0.32 1.25 4.39 -1.99 -0.89 114.58 118.89 1ycl h GLU 135 Ca 0.26 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 1ycl h GLU 135 Cb -0.01 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1ycl h GLU 135 CO -0.05 0.88 -0.10 0.78 -1.16 0.00 0.00 179.01 179.36 1ycl h GLY 136 N 0.99 0.69 0.68 -3.84 0.00 -1.87 -0.07 103.07 99.65 1ycl h GLY 136 Ca 0.15 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 46.94 1ycl h GLY 136 CO 0.03 0.54 0.25 0.00 0.00 0.00 0.00 176.54 177.35 1ycl h ALA 137 N 0.79 0.65 -0.30 3.60 0.00 -1.07 -1.38 119.26 121.55 1ycl h ALA 137 Ca 0.08 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ycl h ALA 137 Cb 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ycl h ALA 137 CO 0.04 -0.11 -0.27 0.87 0.00 0.00 0.00 179.25 179.77 1ycl h LYS 138 N 0.48 0.61 -0.43 0.00 1.57 -1.03 -1.63 116.57 116.15 1ycl h LYS 138 Ca 0.23 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ycl h LYS 138 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ycl h LYS 138 CO -0.18 0.82 0.27 -0.09 -0.57 0.00 0.00 179.45 179.70 1ycl h ARG 139 N 0.53 0.57 -0.31 3.15 2.43 -0.27 0.54 114.38 121.03 1ycl h ARG 139 Ca 0.07 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1ycl h ARG 139 Cb 0.75 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1ycl h ARG 139 CO 0.06 0.40 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.65 1ycl h LEU 140 N 0.57 0.57 -0.47 3.80 -0.00 -1.11 -1.62 115.31 117.05 1ycl h LEU 140 Ca 0.15 -0.18 -0.15 0.00 -0.00 0.00 0.00 57.88 57.70 1ycl h LEU 140 Cb -0.03 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.47 1ycl h LEU 140 CO -0.03 0.78 -0.37 0.24 -0.00 0.00 0.00 178.44 179.05 1ycl h MET 141 N 0.51 0.86 -0.49 1.13 2.86 -0.85 -1.11 114.93 117.83 1ycl h MET 141 Ca 0.08 -0.44 -0.07 0.00 -2.06 0.00 0.00 59.70 57.21 1ycl h MET 141 Cb 0.64 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1ycl h MET 141 CO 0.05 1.08 0.01 0.00 1.06 0.00 0.00 176.91 179.11 1ycl h ARG 142 N 0.71 0.82 -0.52 1.72 3.08 -0.70 0.45 114.38 119.93 1ycl h ARG 142 Ca 0.06 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1ycl h ARG 142 Cb 0.95 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1ycl h ARG 142 CO 0.09 0.82 0.33 0.35 -1.07 0.00 0.00 179.97 180.48 1ycl h PHE 143 N 0.76 0.68 -0.17 3.04 3.57 -1.02 -1.47 116.94 122.33 1ycl h PHE 143 Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1ycl h PHE 143 Cb 0.45 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1ycl h PHE 143 CO 0.02 0.45 -0.06 2.35 -2.23 0.00 0.00 178.31 178.85 1ycl h TRP 144 N 0.70 0.39 0.00 0.41 2.91 -0.76 -3.06 115.95 116.54 1ycl h TRP 144 Ca 0.19 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1ycl h TRP 144 Cb -0.04 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1ycl h TRP 144 CO -0.03 0.63 0.00 -0.07 -1.03 0.00 0.00 178.44 177.94 1ycl h LEU 145 N 0.04 0.00 -0.19 0.65 3.38 -0.76 -1.81 115.31 116.62 1ycl h LEU 145 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ycl h LEU 145 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ycl h LEU 145 CO 0.02 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 176.94 1ycl n SER 146 N -2.89 0.36 -4.87 -0.43 3.41 -0.57 -4.87 113.62 103.77 1ycl n SER 146 Ca -0.01 -0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 57.74 1ycl n SER 146 Cb 0.18 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1ycl n SER 146 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ycl s GLN 147 N -2.44 3.75 0.03 4.33 -1.52 -0.68 -5.04 119.66 118.09 1ycl s GLN 147 Ca 0.31 0.54 -0.26 0.00 -1.95 0.00 0.00 55.36 54.00 1ycl s GLN 147 Cb 0.20 -2.31 -0.05 0.00 -0.22 0.00 0.00 33.01 30.63 1ycl s GLN 147 CO 0.46 -0.16 0.80 -0.51 -0.25 0.00 0.00 175.29 175.63 1ycl s ASP 148 N -3.39 7.22 0.30 5.90 1.01 -1.26 -4.94 116.67 121.51 1ycl s ASP 148 Ca 0.52 1.47 0.02 0.00 0.71 0.00 0.00 52.55 55.27 1ycl s ASP 148 Cb -0.10 -2.48 0.59 0.00 1.01 0.00 0.00 42.92 41.94 1ycl s ASP 148 CO 0.36 -0.05 1.85 0.11 0.21 0.00 0.00 175.17 177.64 1ycl h LYS 149 N 5.97 0.93 -0.51 8.23 1.57 -1.96 0.81 116.57 131.61 1ycl h LYS 149 Ca -0.43 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1ycl h LYS 149 Cb 1.21 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1ycl h LYS 149 CO 0.72 0.61 0.34 0.93 -0.57 0.00 0.00 179.45 181.48 1ycl h GLU 150 N 0.95 0.66 0.14 3.15 3.07 -1.99 -2.23 114.58 118.34 1ycl h GLU 150 Ca 0.48 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 59.01 1ycl h GLU 150 Cb 0.50 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1ycl h GLU 150 CO -0.25 0.44 -1.27 0.93 -1.40 0.00 0.00 179.01 177.46 1ycl h GLU 151 N 0.68 0.47 0.00 2.33 4.39 -1.31 -3.17 114.58 117.98 1ycl h GLU 151 Ca 0.19 -0.70 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 1ycl h GLU 151 Cb -0.06 0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ycl h GLU 151 CO -0.04 1.32 -0.01 -0.07 -1.16 0.00 0.00 179.01 179.05 1ycl h LEU 152 N 0.18 0.00 -0.36 1.33 3.38 -0.60 0.15 115.31 119.39 1ycl h LEU 152 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ycl h LEU 152 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1ycl h LEU 152 CO 0.23 0.01 -0.08 0.18 0.09 0.00 0.00 178.44 178.87 1ycl n LEU 153 N -3.87 0.63 -4.32 1.67 4.77 -0.89 -1.24 117.00 113.76 1ycl n LEU 153 Ca -0.03 -0.11 -0.46 0.00 -0.03 0.00 0.00 56.01 55.37 1ycl n LEU 153 Cb 0.09 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1ycl n LEU 153 CO 0.28 0.11 0.47 -0.54 -1.33 0.00 0.00 177.39 176.38 1ycl s LYS 154 N -2.30 3.66 0.36 3.23 1.02 0.04 -4.90 119.74 120.85 1ycl s LYS 154 Ca 0.34 -2.58 0.09 0.00 0.02 0.00 0.00 55.97 53.83 1ycl s LYS 154 Cb 0.21 -4.42 0.81 0.00 -0.52 0.00 0.00 37.83 33.91 1ycl s LYS 154 CO 0.43 -1.28 1.89 0.28 -0.92 0.00 0.00 175.35 175.75 1ycl h VAL 155 N 4.62 0.87 -0.35 3.17 2.07 -1.82 -1.54 116.25 123.28 1ycl h VAL 155 Ca 0.12 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.27 1ycl h VAL 155 Cb 1.01 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1ycl h VAL 155 CO 0.79 0.13 -0.00 0.49 0.02 0.00 0.00 177.57 178.99 1ycl n PHE 156 N -4.53 1.15 -0.58 1.57 3.01 -1.26 -0.94 117.46 115.88 1ycl n PHE 156 Ca 0.16 -1.35 0.00 0.00 1.01 0.00 0.00 57.45 57.27 1ycl n PHE 156 Cb 0.42 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1ycl n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18