#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykk s ILE 2 N 0.00 4.50 -0.27 4.25 1.09 -1.26 -5.00 121.20 124.51 1ykk s ILE 2 Ca 0.00 1.80 -0.09 0.00 -1.10 0.00 0.00 60.65 61.27 1ykk s ILE 2 Cb 0.00 -4.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.16 1ykk s ILE 2 CO 0.00 -0.22 0.12 -1.61 -0.10 0.00 0.00 174.94 173.13 1ykk s GLU 3 N 3.40 3.68 0.69 2.79 0.41 -1.26 -5.10 118.70 123.32 1ykk s GLU 3 Ca 0.48 -0.48 0.00 0.00 -0.41 0.00 0.00 54.97 54.57 1ykk s GLU 3 Cb -0.17 -3.46 0.12 0.00 -1.78 0.00 0.00 34.13 28.83 1ykk s GLU 3 CO 0.11 -0.23 0.96 -0.51 -0.49 0.00 0.00 175.26 175.10 1ykk s LEU 4 N 1.66 3.01 0.34 1.80 1.02 -1.26 -5.05 118.68 120.20 1ykk s LEU 4 Ca 0.06 -0.38 -0.28 0.00 0.02 0.00 0.00 54.13 53.55 1ykk s LEU 4 Cb -0.16 -2.02 -0.10 0.00 0.02 0.00 0.00 46.19 43.94 1ykk s LEU 4 CO 0.06 -1.76 1.31 -0.76 0.02 0.00 0.00 176.35 175.22 1ykk s LEU 5 N -5.07 4.39 0.37 1.79 1.43 -1.26 -4.97 118.68 115.36 1ykk s LEU 5 Ca 0.65 2.69 -0.24 0.00 -1.03 0.00 0.00 54.13 56.20 1ykk s LEU 5 Cb -0.06 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1ykk s LEU 5 CO 0.43 -0.59 0.98 -2.84 0.23 0.00 0.00 176.35 174.57 1ykk s PRO 6 N -1.87 4.37 0.44 1.29 0.02 -1.26 -5.02 135.00 132.98 1ykk s PRO 6 Ca 0.50 1.36 -0.24 0.00 0.02 0.00 0.00 61.00 62.64 1ykk s PRO 6 Cb -0.40 -2.60 -0.08 0.00 0.02 0.00 0.00 34.50 31.45 1ykk s PRO 6 CO 0.53 0.07 1.24 -2.00 -0.33 0.00 0.00 177.00 176.50 1ykk s GLU 7 N -2.41 3.78 0.10 5.54 2.12 -1.26 -4.95 118.70 121.62 1ykk s GLU 7 Ca 0.55 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.55 1ykk s GLU 7 Cb -0.18 -2.54 -0.10 0.00 0.26 0.00 0.00 34.13 31.57 1ykk s GLU 7 CO 0.23 -0.59 1.78 0.99 -0.54 0.00 0.00 175.26 177.13 1ykk s THR 8 N -1.40 2.73 0.46 -1.70 2.01 -1.26 -4.94 115.64 111.54 1ykk s THR 8 Ca 0.61 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.58 1ykk s THR 8 Cb -0.34 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 1ykk s THR 8 CO 0.42 -0.00 1.18 -2.16 -0.69 0.00 0.00 174.62 173.36 1ykk s PRO 9 N 2.80 3.73 0.60 4.92 0.04 -1.26 -5.02 135.00 140.81 1ykk s PRO 9 Ca 0.79 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 63.48 1ykk s PRO 9 Cb -0.44 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 1ykk s PRO 9 CO 0.35 -0.59 1.06 0.45 0.04 0.00 0.00 177.00 178.32 1ykk s SER 10 N -1.32 5.69 0.05 6.66 0.15 -1.26 -5.09 113.70 118.59 1ykk s SER 10 Ca 0.64 1.84 -0.02 0.00 0.70 0.00 0.00 55.95 59.10 1ykk s SER 10 Cb -0.29 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.45 1ykk s SER 10 CO 0.36 -1.23 0.01 -1.10 1.20 0.00 0.00 173.24 172.48 1ykk s GLN 11 N -4.09 0.63 0.63 5.44 -1.52 -1.19 -4.91 119.66 114.65 1ykk s GLN 11 Ca 0.64 -1.12 -0.19 0.00 -1.95 0.00 0.00 55.36 52.74 1ykk s GLN 11 Cb -0.17 0.23 -0.02 0.00 -0.22 0.00 0.00 33.01 32.84 1ykk s GLN 11 CO 0.38 -0.14 1.31 -0.08 -0.25 0.00 0.00 175.29 176.51 1ykk s THR 12 N -3.72 2.03 -0.10 -0.19 -1.32 -1.20 -4.74 115.64 106.40 1ykk s THR 12 Ca 0.05 0.02 0.30 0.00 -1.21 0.00 0.00 61.69 60.85 1ykk s THR 12 Cb 0.06 -3.01 0.36 0.00 -1.51 0.00 0.00 72.50 68.40 1ykk s THR 12 CO -0.09 -0.00 1.88 0.00 -2.21 0.00 0.00 174.62 174.19 1ykk h ALA 13 N 0.68 1.00 0.00 11.08 0.00 -1.73 -3.50 119.26 126.79 1ykk h ALA 13 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ykk h ALA 13 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ykk h ALA 13 CO 0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1ykk n GLY 14 N 0.26 -1.67 0.21 0.00 0.00 -1.26 -3.95 105.19 98.78 1ykk n GLY 14 Ca 0.02 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.64 1ykk n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykk h PRO 15 N 0.00 0.00 -0.52 1.61 0.13 -1.93 -3.16 132.00 128.14 1ykk h PRO 15 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1ykk h PRO 15 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1ykk h PRO 15 CO 0.00 0.00 0.11 0.66 -0.23 0.00 0.00 178.00 178.54 1ykk n TYR 16 N -2.71 1.61 0.02 1.56 4.01 -1.26 -4.69 117.16 115.70 1ykk n TYR 16 Ca 0.01 -1.63 0.12 0.00 -0.16 0.00 0.00 57.90 56.24 1ykk n TYR 16 Cb 0.27 -0.61 0.57 0.00 -0.31 0.00 0.00 39.34 39.26 1ykk n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykk h VAL 17 N 1.08 0.90 -0.10 -0.72 3.04 -1.67 -2.44 116.25 116.34 1ykk h VAL 17 Ca 0.32 -0.08 -0.05 0.00 -1.01 0.00 0.00 66.70 65.88 1ykk h VAL 17 Cb 1.97 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.89 1ykk h VAL 17 CO 0.57 0.04 -0.17 0.45 -1.01 0.00 0.00 177.57 177.46 1ykk h HIS 18 N 0.24 0.16 0.00 3.17 3.86 -1.85 -2.34 115.15 118.39 1ykk h HIS 18 Ca 0.20 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1ykk h HIS 18 Cb 0.48 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 1ykk h HIS 18 CO -0.00 0.32 -0.11 -0.84 0.86 0.00 0.00 177.93 178.17 1ykk h ILE 19 N 0.15 0.45 0.00 2.45 3.07 -1.66 -0.05 117.51 121.92 1ykk h ILE 19 Ca 0.03 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.89 1ykk h ILE 19 Cb 0.39 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 1ykk h ILE 19 CO 0.02 0.11 -1.50 0.61 -1.05 0.00 0.00 178.15 176.34 1ykk n GLY 20 N -0.55 -0.54 0.00 0.16 0.00 -1.11 -4.61 105.19 98.54 1ykk n GLY 20 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ykk n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykk n LEU 21 N -1.89 0.00 -3.08 0.99 4.77 -0.90 -4.86 117.00 112.03 1ykk n LEU 21 Ca -0.02 -0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 55.53 1ykk n LEU 21 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1ykk n LEU 21 CO 0.26 0.00 -0.12 0.00 -1.33 0.00 0.00 177.39 176.20 1ykk n ALA 22 N -0.80 1.40 -0.35 -1.18 0.00 -0.07 -4.94 120.51 114.57 1ykk n ALA 22 Ca 0.00 -2.94 0.11 0.00 0.00 0.00 0.00 53.44 50.61 1ykk n ALA 22 Cb 0.00 -0.97 0.29 0.00 0.00 0.00 0.00 19.45 18.77 1ykk n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykk h LEU 23 N 3.32 0.78 -0.13 0.00 4.07 -1.71 -1.55 115.31 120.09 1ykk h LEU 23 Ca 0.04 0.09 -0.24 0.00 0.08 0.00 0.00 57.88 57.85 1ykk h LEU 23 Cb 0.97 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 42.67 1ykk h LEU 23 CO 0.42 0.31 -0.88 -0.08 -1.08 0.00 0.00 178.44 177.13 1ykk h GLU 24 N 0.79 0.69 0.00 1.13 4.81 -1.87 -2.20 114.58 117.93 1ykk h GLU 24 Ca 0.55 -0.64 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1ykk h GLU 24 Cb 0.78 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1ykk h GLU 24 CO -0.36 1.24 -0.18 0.00 -0.73 0.00 0.00 179.01 178.99 1ykk h ALA 25 N 0.56 1.55 0.30 2.92 0.00 -1.80 -2.94 119.26 119.84 1ykk h ALA 25 Ca -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ykk h ALA 25 Cb 1.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ykk h ALA 25 CO 0.17 0.22 -0.14 0.00 0.00 0.00 0.00 179.25 179.50 1ykk h ALA 26 N 1.82 -0.44 0.00 0.00 0.00 -1.22 -3.47 119.26 115.95 1ykk h ALA 26 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ykk h ALA 26 Cb 0.34 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ykk h ALA 26 CO 0.02 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.27 1ykk n GLY 27 N 0.67 0.06 3.90 0.00 0.00 -0.92 -5.09 105.19 103.81 1ykk n GLY 27 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1ykk n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykk s ASN 28 N -0.64 6.45 0.34 1.61 0.01 -0.88 -5.03 114.94 116.81 1ykk s ASN 28 Ca 0.00 0.86 -0.29 0.00 -0.71 0.00 0.00 52.86 52.72 1ykk s ASN 28 Cb 0.00 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.35 1ykk s ASN 28 CO 0.00 -0.29 1.35 -2.16 -1.51 0.00 0.00 177.10 174.49 1ykk s PRO 29 N -3.75 4.30 0.58 -0.60 0.04 -1.26 -4.22 135.00 130.09 1ykk s PRO 29 Ca 0.46 2.29 -0.05 0.00 0.04 0.00 0.00 61.00 63.75 1ykk s PRO 29 Cb -0.10 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1ykk s PRO 29 CO 0.31 -0.26 0.88 0.95 0.04 0.00 0.00 177.00 178.92 1ykk s THR 30 N -1.11 3.52 0.63 1.26 -4.23 -1.26 -4.92 115.64 109.52 1ykk s THR 30 Ca 0.50 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.94 1ykk s THR 30 Cb -0.41 -3.39 0.10 0.00 1.34 0.00 0.00 72.50 70.14 1ykk s THR 30 CO 0.55 -0.38 0.88 -0.13 -0.54 0.00 0.00 174.62 174.99 1ykk s ARG 31 N -4.95 2.04 0.16 3.99 0.52 -1.26 -5.03 118.95 114.42 1ykk s ARG 31 Ca 0.54 -1.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 1ykk s ARG 31 Cb -0.10 -2.50 0.07 0.00 0.52 0.00 0.00 34.95 32.93 1ykk s ARG 31 CO 0.44 -1.11 1.78 -0.44 0.02 0.00 0.00 175.30 175.99 1ykk h ASP 32 N -0.13 0.30 -3.12 0.23 3.32 -2.08 -3.40 116.42 111.54 1ykk h ASP 32 Ca -0.33 0.02 -0.64 0.00 0.02 0.00 0.00 57.03 56.09 1ykk h ASP 32 Cb 1.28 -0.04 -0.35 0.00 0.22 0.00 0.00 39.33 40.44 1ykk h ASP 32 CO 0.41 0.22 -0.85 -1.10 -1.72 0.00 0.00 179.24 176.20 1ykk s GLN 33 N -6.15 2.67 0.16 3.56 -0.21 -1.26 -5.12 119.66 113.30 1ykk s GLN 33 Ca -0.13 -0.74 0.11 0.00 0.02 0.00 0.00 55.36 54.61 1ykk s GLN 33 Cb 0.12 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1ykk s GLN 33 CO 0.72 -0.24 -0.24 -1.21 -2.12 0.00 0.00 175.29 172.20 1ykk s GLU 34 N 1.36 1.40 -0.44 2.91 0.41 -1.26 -5.11 118.70 117.97 1ykk s GLU 34 Ca 0.04 -1.41 -0.16 0.00 -0.41 0.00 0.00 54.97 53.04 1ykk s GLU 34 Cb -0.13 -1.76 0.04 0.00 -1.78 0.00 0.00 34.13 30.50 1ykk s GLU 34 CO -0.12 0.40 0.38 0.42 -0.49 0.00 0.00 175.26 175.85 1ykk s ILE 35 N -1.42 5.19 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.06 1ykk s ILE 35 Ca 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1ykk s ILE 35 Cb -0.09 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1ykk s ILE 35 CO 0.07 -0.46 0.00 1.87 0.00 0.00 0.00 174.94 176.43 1ykk n TRP 36 N 5.33 0.00 1.83 3.97 -0.00 -1.26 -4.47 117.44 122.84 1ykk n TRP 36 Ca -0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.50 1ykk n TRP 36 Cb 0.46 0.00 0.55 0.00 -0.00 0.00 0.00 31.31 32.32 1ykk n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykk n ASN 37 N 0.00 0.37 -4.34 5.87 6.94 -0.49 -1.40 115.26 122.20 1ykk n ASN 37 Ca 0.00 -1.44 -0.45 0.00 -0.02 0.00 0.00 54.58 52.66 1ykk n ASN 37 Cb 0.00 -0.02 -0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1ykk n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykk s ARG 38 N -1.96 4.09 0.16 -3.83 6.06 -1.26 -1.44 118.95 120.76 1ykk s ARG 38 Ca 0.31 -3.06 -0.05 0.00 -2.50 0.00 0.00 55.73 50.43 1ykk s ARG 38 Cb 0.15 -4.54 0.01 0.00 0.06 0.00 0.00 34.95 30.62 1ykk s ARG 38 CO 0.24 -1.26 1.42 -0.07 -2.50 0.00 0.00 175.30 173.12 1ykk h LEU 39 N 6.95 0.64 -8.42 -0.88 4.07 -1.47 -3.44 115.31 112.77 1ykk h LEU 39 Ca 0.17 -0.40 -0.67 0.00 0.08 0.00 0.00 57.88 57.05 1ykk h LEU 39 Cb 0.91 -0.19 -0.31 0.00 1.08 0.00 0.00 40.66 42.15 1ykk h LEU 39 CO 0.97 1.15 -0.85 0.00 -1.08 0.00 0.00 178.44 178.63 1ykk s ALA 40 N -3.74 2.30 0.45 1.53 0.00 -1.18 -0.66 121.76 120.46 1ykk s ALA 40 Ca -0.07 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 1ykk s ALA 40 Cb 0.10 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 1ykk s ALA 40 CO 0.86 0.28 0.99 0.15 0.00 0.00 0.00 175.76 178.03 1ykk s LYS 41 N 0.35 4.06 0.65 0.00 1.02 0.33 -4.75 119.74 121.39 1ykk s LYS 41 Ca -0.17 1.22 0.15 0.00 0.02 0.00 0.00 55.97 57.19 1ykk s LYS 41 Cb -0.17 -2.15 0.76 0.00 -0.52 0.00 0.00 37.83 35.74 1ykk s LYS 41 CO 0.08 -0.19 1.41 -1.35 -0.92 0.00 0.00 175.35 174.38 1ykk h PRO 42 N 1.78 0.00 -0.61 -1.68 0.11 -2.00 -0.53 132.00 129.07 1ykk h PRO 42 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ykk h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ykk h PRO 42 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1ykk n ASP 43 N -2.79 3.45 -4.77 -2.05 5.75 -1.26 -4.98 116.55 109.89 1ykk n ASP 43 Ca 0.02 -1.99 -0.38 0.00 -0.01 0.00 0.00 54.79 52.43 1ykk n ASP 43 Cb 0.82 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 1ykk n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykk s ALA 44 N -1.19 3.22 0.67 2.12 0.00 -0.21 -5.03 121.76 121.34 1ykk s ALA 44 Ca 0.43 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 1ykk s ALA 44 Cb 0.23 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1ykk s ALA 44 CO 0.30 -0.20 1.13 -1.25 0.00 0.00 0.00 175.76 175.74 1ykk s PRO 45 N -2.04 2.66 0.00 0.00 0.04 -1.26 -4.93 135.00 129.48 1ykk s PRO 45 Ca 0.52 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1ykk s PRO 45 Cb -0.26 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1ykk s PRO 45 CO 0.33 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1ykk n GLY 46 N -0.37 -3.77 3.56 0.56 0.00 -1.26 -4.60 105.19 99.31 1ykk n GLY 46 Ca 0.11 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1ykk n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 47 N -0.93 3.41 0.03 1.61 2.12 -1.26 -4.94 118.70 118.74 1ykk s GLU 47 Ca 0.00 0.00 -0.30 0.00 0.36 0.00 0.00 54.97 55.03 1ykk s GLU 47 Cb 0.00 -4.05 -0.07 0.00 0.26 0.00 0.00 34.13 30.27 1ykk s GLU 47 CO 0.00 -1.69 1.54 -1.01 -0.54 0.00 0.00 175.26 173.55 1ykk s HIS 48 N 4.74 2.60 0.15 5.30 3.76 -1.26 -1.54 115.29 129.04 1ykk s HIS 48 Ca 0.38 0.55 0.06 0.00 -0.15 0.00 0.00 55.06 55.89 1ykk s HIS 48 Cb -0.09 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.74 1ykk s HIS 48 CO 0.22 -3.20 -0.14 0.96 -0.85 0.00 0.00 174.74 171.73 1ykk s ILE 49 N 2.60 1.42 -0.16 0.60 -4.36 0.40 -4.42 121.20 117.29 1ykk s ILE 49 Ca 0.69 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.17 1ykk s ILE 49 Cb -0.35 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 1ykk s ILE 49 CO 0.29 -0.50 -0.11 -0.22 0.24 0.00 0.00 174.94 174.64 1ykk s LEU 50 N -2.77 2.72 -0.12 0.37 2.96 0.10 -2.34 118.68 119.60 1ykk s LEU 50 Ca 0.14 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1ykk s LEU 50 Cb -0.03 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1ykk s LEU 50 CO 0.04 0.11 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.32 1ykk s LEU 51 N 0.71 2.94 0.05 -0.68 1.43 0.41 -1.55 118.68 122.00 1ykk s LEU 51 Ca -0.05 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1ykk s LEU 51 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1ykk s LEU 51 CO 0.02 0.20 0.01 -1.48 0.23 0.00 0.00 176.35 175.33 1ykk s LEU 52 N 0.14 2.26 0.00 1.79 -0.00 -0.92 -0.56 118.68 121.40 1ykk s LEU 52 Ca -0.04 -0.89 0.00 0.00 -0.00 0.00 0.00 54.13 53.20 1ykk s LEU 52 Cb -0.14 0.35 0.00 0.00 -0.00 0.00 0.00 46.19 46.40 1ykk s LEU 52 CO 0.04 -0.60 0.00 0.61 -0.00 0.00 0.00 176.35 176.40 1ykk n GLY 53 N 0.21 0.91 3.43 -3.48 0.00 -1.11 -0.78 105.19 104.38 1ykk n GLY 53 Ca -0.15 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1ykk n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ykk s GLN 54 N -2.00 1.55 -0.18 1.61 -0.21 -1.26 -1.47 119.66 117.70 1ykk s GLN 54 Ca 0.00 -1.31 -0.05 0.00 0.02 0.00 0.00 55.36 54.02 1ykk s GLN 54 Cb 0.00 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 32.01 1ykk s GLN 54 CO 0.00 0.45 -0.00 0.08 -2.12 0.00 0.00 175.29 173.70 1ykk s VAL 55 N -1.17 4.11 0.02 1.09 1.01 -1.26 -1.40 120.40 122.80 1ykk s VAL 55 Ca 0.16 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1ykk s VAL 55 Cb -0.10 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1ykk s VAL 55 CO 0.08 0.46 -0.12 -0.31 0.00 0.00 0.00 175.10 175.21 1ykk s TYR 56 N 0.59 2.73 0.17 5.22 1.51 0.39 -0.74 117.35 127.21 1ykk s TYR 56 Ca -0.01 -0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1ykk s TYR 56 Cb -0.14 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 1ykk s TYR 56 CO 0.02 0.31 0.23 -0.40 -1.11 0.00 0.00 175.55 174.60 1ykk n ASP 57 N 1.55 0.22 0.00 2.29 5.68 0.01 -1.87 116.55 124.44 1ykk n ASP 57 Ca -0.16 -1.21 0.09 0.00 -0.50 0.00 0.00 54.79 53.02 1ykk n ASP 57 Cb 0.52 -0.16 0.41 0.00 -1.14 0.00 0.00 41.12 40.76 1ykk n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykk n GLY 58 N 3.32 -1.12 1.02 6.12 0.00 -1.26 -2.32 105.19 110.95 1ykk n GLY 58 Ca 0.03 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1ykk n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykk n ASN 59 N -1.47 3.22 -0.04 1.61 3.02 -1.26 -4.71 115.26 115.62 1ykk n ASN 59 Ca 0.05 -1.94 -0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1ykk n ASN 59 Cb 0.21 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1ykk n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykk n GLY 60 N 1.31 0.47 3.88 7.41 0.00 -0.98 -5.03 105.19 112.25 1ykk n GLY 60 Ca 0.17 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1ykk n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykk s HIS 61 N -1.98 3.56 0.27 1.61 3.76 -1.26 -4.83 115.29 116.41 1ykk s HIS 61 Ca 0.00 0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 55.23 1ykk s HIS 61 Cb 0.00 -2.03 -0.10 0.00 1.11 0.00 0.00 32.58 31.56 1ykk s HIS 61 CO 0.00 0.55 1.38 -0.51 -0.85 0.00 0.00 174.74 175.31 1ykk s LEU 62 N -2.02 4.40 -0.52 0.89 1.43 -1.26 -0.81 118.68 120.80 1ykk s LEU 62 Ca 0.32 2.63 -0.19 0.00 -1.03 0.00 0.00 54.13 55.87 1ykk s LEU 62 Cb -0.13 -3.63 0.07 0.00 0.03 0.00 0.00 46.19 42.53 1ykk s LEU 62 CO 0.19 -0.62 0.61 -0.69 0.23 0.00 0.00 176.35 176.06 1ykk s VAL 63 N -0.34 4.92 -0.37 -1.59 1.01 0.08 -4.86 120.40 119.24 1ykk s VAL 63 Ca 0.56 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1ykk s VAL 63 Cb -0.40 -4.31 0.67 0.00 0.00 0.00 0.00 36.38 32.34 1ykk s VAL 63 CO 0.46 -0.83 1.77 0.54 0.00 0.00 0.00 175.10 177.03 1ykk n ARG 64 N 6.06 3.17 -0.65 2.72 1.74 -1.26 -4.27 116.66 124.18 1ykk n ARG 64 Ca -0.08 -2.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 1ykk n ARG 64 Cb 0.45 -2.14 -0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1ykk n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykk n ASP 65 N -0.36 0.05 -4.87 0.55 5.68 -1.09 -3.10 116.55 113.41 1ykk n ASP 65 Ca 0.43 -1.71 -0.30 0.00 -0.50 0.00 0.00 54.79 52.70 1ykk n ASP 65 Cb 1.40 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 41.24 1ykk n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykk s SER 66 N -0.83 6.39 -0.05 -1.12 1.04 -1.20 -4.51 113.70 113.42 1ykk s SER 66 Ca 0.04 1.31 0.01 0.00 0.48 0.00 0.00 55.95 57.79 1ykk s SER 66 Cb 0.04 -2.41 0.02 0.00 0.10 0.00 0.00 66.02 63.78 1ykk s SER 66 CO -0.02 -0.65 -0.06 0.12 0.98 0.00 0.00 173.24 173.61 1ykk s PHE 67 N -2.81 0.85 0.02 5.02 5.36 0.13 -2.23 117.98 124.34 1ykk s PHE 67 Ca 0.54 -0.25 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1ykk s PHE 67 Cb -0.10 -0.72 -0.02 0.00 -0.34 0.00 0.00 43.02 41.84 1ykk s PHE 67 CO 0.42 -0.20 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.28 1ykk s LEU 68 N 0.84 2.12 -0.02 6.12 1.02 0.27 -0.28 118.68 128.74 1ykk s LEU 68 Ca -0.12 -0.45 0.07 0.00 0.02 0.00 0.00 54.13 53.65 1ykk s LEU 68 Cb -0.15 -0.93 -0.02 0.00 0.02 0.00 0.00 46.19 45.12 1ykk s LEU 68 CO 0.01 0.17 -0.23 -1.61 0.02 0.00 0.00 176.35 174.71 1ykk s GLU 69 N -0.91 1.96 0.10 1.70 2.02 -0.30 -1.16 118.70 122.11 1ykk s GLU 69 Ca 0.07 -0.82 0.08 0.00 0.02 0.00 0.00 54.97 54.32 1ykk s GLU 69 Cb -0.08 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 1ykk s GLU 69 CO 0.01 0.47 -0.21 0.14 0.02 0.00 0.00 175.26 175.68 1ykk s VAL 70 N -0.45 1.73 -0.08 2.63 -7.23 0.32 -0.82 120.40 116.49 1ykk s VAL 70 Ca 0.06 -1.53 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1ykk s VAL 70 Cb -0.10 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.32 1ykk s VAL 70 CO -0.00 -0.03 0.15 0.86 -0.31 0.00 0.00 175.10 175.76 1ykk s TRP 71 N -1.13 -0.14 0.07 2.82 -0.11 0.30 -2.02 118.94 118.72 1ykk s TRP 71 Ca 0.07 0.54 -0.07 0.00 1.22 0.00 0.00 56.10 57.85 1ykk s TRP 71 Cb -0.10 -0.30 -0.01 0.00 -1.50 0.00 0.00 33.47 31.56 1ykk s TRP 71 CO 0.04 -0.27 0.14 1.14 -4.62 0.00 0.00 176.95 173.38 1ykk s GLN 72 N 2.27 0.76 0.56 5.86 -2.07 -0.46 -0.59 119.66 125.99 1ykk s GLN 72 Ca 0.03 -0.95 -0.07 0.00 -1.82 0.00 0.00 55.36 52.56 1ykk s GLN 72 Cb -0.12 0.30 -0.01 0.00 -1.09 0.00 0.00 33.01 32.08 1ykk s GLN 72 CO -0.06 -0.22 0.89 0.00 -1.32 0.00 0.00 175.29 174.59 1ykk s ALA 73 N -3.59 3.28 1.02 2.60 0.00 -1.26 -4.50 121.76 119.31 1ykk s ALA 73 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1ykk s ALA 73 Cb 0.04 -2.69 0.09 0.00 0.00 0.00 0.00 23.12 20.56 1ykk s ALA 73 CO -0.09 -0.65 0.46 -0.40 0.00 0.00 0.00 175.76 175.08 1ykk n ASP 74 N -2.52 -0.28 0.32 0.00 5.68 -0.34 -4.30 116.55 115.11 1ykk n ASP 74 Ca 0.03 -1.08 0.20 0.00 -0.50 0.00 0.00 54.79 53.45 1ykk n ASP 74 Cb 0.56 -0.36 1.06 0.00 -1.14 0.00 0.00 41.12 41.24 1ykk n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykk h ALA 75 N -2.00 1.06 -0.08 2.12 0.00 -1.81 0.25 119.26 118.79 1ykk h ALA 75 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ykk h ALA 75 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ykk h ALA 75 CO 0.11 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1ykk n ASN 76 N -3.18 2.34 -1.16 0.00 3.02 -1.26 -3.93 115.26 111.08 1ykk n ASN 76 Ca -0.02 -1.78 -0.06 0.00 -0.03 0.00 0.00 54.58 52.69 1ykk n ASN 76 Cb 0.13 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1ykk n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykk n GLY 77 N 1.28 0.49 3.16 7.41 0.00 -0.59 -4.81 105.19 112.14 1ykk n GLY 77 Ca 0.17 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 1ykk n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykk s GLU 78 N -5.13 1.66 -0.26 1.61 2.02 -1.26 -4.70 118.70 112.63 1ykk s GLU 78 Ca 0.12 -0.64 -0.20 0.00 0.02 0.00 0.00 54.97 54.28 1ykk s GLU 78 Cb -0.05 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 1ykk s GLU 78 CO 0.15 0.32 0.61 0.71 0.02 0.00 0.00 175.26 177.07 1ykk s TYR 79 N -0.18 3.27 -0.69 1.61 1.51 -1.26 -1.19 117.35 120.40 1ykk s TYR 79 Ca 0.01 0.74 -0.18 0.00 -1.01 0.00 0.00 57.07 56.64 1ykk s TYR 79 Cb -0.09 -2.85 0.13 0.00 -0.11 0.00 0.00 41.96 39.04 1ykk s TYR 79 CO 0.01 -0.35 0.79 -0.65 -1.11 0.00 0.00 175.55 174.24 1ykk s GLN 80 N 2.49 3.24 0.17 -0.62 -1.52 -1.26 -4.92 119.66 117.24 1ykk s GLN 80 Ca 0.25 -1.61 -0.00 0.00 -1.95 0.00 0.00 55.36 52.05 1ykk s GLN 80 Cb -0.15 -4.41 0.03 0.00 -0.22 0.00 0.00 33.01 28.26 1ykk s GLN 80 CO 0.09 -1.54 1.41 0.38 -0.25 0.00 0.00 175.29 175.38 1ykk h ASP 81 N 8.87 0.40 -1.18 5.90 2.03 -1.98 -3.31 116.42 127.15 1ykk h ASP 81 Ca -0.14 -0.29 -0.45 0.00 -0.73 0.00 0.00 57.03 55.42 1ykk h ASP 81 Cb 1.07 -0.12 -0.07 0.00 -0.83 0.00 0.00 39.33 39.38 1ykk h ASP 81 CO 1.04 1.05 1.11 0.00 -1.03 0.00 0.00 179.24 181.40 1ykk s ALA 82 N -3.45 2.20 0.01 4.15 0.00 -1.26 -4.95 121.76 118.45 1ykk s ALA 82 Ca -0.05 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 1ykk s ALA 82 Cb 0.10 -4.48 -0.05 0.00 0.00 0.00 0.00 23.12 18.69 1ykk s ALA 82 CO 0.84 -4.13 1.28 -0.47 0.00 0.00 0.00 175.76 173.27 1ykk s TYR 83 N 7.77 3.16 -0.22 0.00 5.04 -1.26 -5.00 117.35 126.84 1ykk s TYR 83 Ca 0.58 1.10 -0.17 0.00 -2.44 0.00 0.00 57.07 56.13 1ykk s TYR 83 Cb -0.05 -3.52 0.06 0.00 0.35 0.00 0.00 41.96 38.80 1ykk s TYR 83 CO 0.00 -1.74 0.58 1.21 -1.34 0.00 0.00 175.55 174.26 1ykk s ASN 84 N 1.45 -0.67 0.00 4.32 3.84 -1.26 -5.05 114.94 117.57 1ykk s ASN 84 Ca 0.60 1.20 0.26 0.00 0.21 0.00 0.00 52.86 55.12 1ykk s ASN 84 Cb -0.29 1.16 1.32 0.00 -0.55 0.00 0.00 41.25 42.89 1ykk s ASN 84 CO 0.26 -0.21 1.87 0.18 -2.79 0.00 0.00 177.10 176.41 1ykk n LEU 85 N 3.36 0.00 0.03 3.21 4.77 -1.26 -2.90 117.00 124.22 1ykk n LEU 85 Ca -0.17 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1ykk n LEU 85 Cb 0.56 -0.25 0.19 0.00 -2.33 0.00 0.00 43.42 41.60 1ykk n LEU 85 CO 0.05 -0.04 0.35 -0.62 -1.33 0.00 0.00 177.39 175.81 1ykk n GLU 86 N -1.25 0.17 -2.41 3.23 1.02 -1.26 -4.91 120.64 115.24 1ykk n GLU 86 Ca 0.13 0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.95 1ykk n GLU 86 Cb 0.19 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 1ykk n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ykk s ASN 87 N -3.70 6.27 0.20 1.62 0.01 -1.14 -4.95 114.94 113.25 1ykk s ASN 87 Ca 0.08 2.11 -0.05 0.00 -0.71 0.00 0.00 52.86 54.28 1ykk s ASN 87 Cb 0.15 -2.58 0.15 0.00 0.41 0.00 0.00 41.25 39.38 1ykk s ASN 87 CO 0.72 -0.84 1.61 0.00 -1.51 0.00 0.00 177.10 177.08 1ykk h ALA 88 N 1.84 0.83 -3.81 0.60 0.00 -1.90 -3.44 119.26 113.38 1ykk h ALA 88 Ca -0.49 -0.38 -0.36 0.00 0.00 0.00 0.00 54.91 53.68 1ykk h ALA 88 Cb 1.23 -0.15 -0.30 0.00 0.00 0.00 0.00 17.79 18.57 1ykk h ALA 88 CO 0.60 0.64 -0.76 0.12 0.00 0.00 0.00 179.25 179.85 1ykk s PHE 89 N -4.60 0.59 -0.06 0.00 5.36 -1.26 -0.52 117.98 117.50 1ykk s PHE 89 Ca -0.10 -0.12 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 1ykk s PHE 89 Cb 0.13 -0.43 -0.00 0.00 -0.34 0.00 0.00 43.02 42.37 1ykk s PHE 89 CO 0.84 -0.06 -0.21 -0.80 -1.46 0.00 0.00 175.22 173.54 1ykk s ASN 90 N 0.15 2.62 0.43 6.13 0.01 0.16 -5.00 114.94 119.44 1ykk s ASN 90 Ca -0.01 -0.44 0.28 0.00 -0.71 0.00 0.00 52.86 51.97 1ykk s ASN 90 Cb -0.06 -0.89 0.91 0.00 0.41 0.00 0.00 41.25 41.62 1ykk s ASN 90 CO -0.00 0.17 1.80 0.28 -1.51 0.00 0.00 177.10 177.84 1ykk h SER 91 N 6.38 0.00 -3.40 -1.22 0.02 -1.79 -3.43 113.55 110.10 1ykk h SER 91 Ca -0.29 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.00 1ykk h SER 91 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.59 1ykk h SER 91 CO 0.47 0.00 -0.66 0.12 -1.14 0.00 0.00 176.83 175.62 1ykk s PHE 92 N -3.40 3.00 0.15 3.45 5.36 -1.26 -1.35 117.98 123.94 1ykk s PHE 92 Ca 0.05 0.02 -0.24 0.00 -0.96 0.00 0.00 56.93 55.80 1ykk s PHE 92 Cb 0.08 -1.61 0.07 0.00 -0.34 0.00 0.00 43.02 41.22 1ykk s PHE 92 CO 0.57 0.45 0.66 0.20 -1.46 0.00 0.00 175.22 175.65 1ykk s GLY 93 N -1.82 -0.52 -0.00 13.12 0.00 -0.86 -4.81 107.32 112.42 1ykk s GLY 93 Ca 0.21 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.42 1ykk s GLY 93 CO 0.13 0.15 -0.13 0.50 0.00 0.00 0.00 173.10 173.74 1ykk s ARG 94 N -3.68 1.06 0.22 2.90 0.52 -0.49 -0.52 118.95 118.96 1ykk s ARG 94 Ca 0.03 -0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.67 1ykk s ARG 94 Cb -0.02 -1.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.39 1ykk s ARG 94 CO -0.09 0.28 0.26 -0.08 0.02 0.00 0.00 175.30 175.69 1ykk s THR 95 N -0.38 0.00 0.22 0.02 -1.32 -0.31 -1.40 115.64 112.46 1ykk s THR 95 Ca 0.05 -1.78 -0.21 0.00 -1.21 0.00 0.00 61.69 58.54 1ykk s THR 95 Cb -0.05 -2.39 0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1ykk s THR 95 CO -0.00 -0.00 0.63 0.00 -2.21 0.00 0.00 174.62 173.04 1ykk s ALA 96 N -4.11 -1.31 -0.15 11.08 0.00 -1.26 -0.57 121.76 125.44 1ykk s ALA 96 Ca 0.33 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1ykk s ALA 96 Cb 0.04 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1ykk s ALA 96 CO 0.11 -0.88 -0.17 0.95 0.00 0.00 0.00 175.76 175.77 1ykk s THR 97 N -3.84 2.53 0.49 0.00 -4.23 -0.95 -4.22 115.64 105.42 1ykk s THR 97 Ca 0.07 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1ykk s THR 97 Cb -0.03 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 71.78 1ykk s THR 97 CO -0.03 0.52 0.25 0.35 -0.54 0.00 0.00 174.62 175.17 1ykk n THR 98 N 4.11 0.00 0.24 3.99 -2.24 0.62 -2.69 114.28 118.30 1ykk n THR 98 Ca -0.19 -2.07 0.13 0.00 -2.27 0.00 0.00 64.05 59.64 1ykk n THR 98 Cb 0.52 0.11 0.38 0.00 -2.10 0.00 0.00 70.33 69.24 1ykk n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykk h PHE 99 N 0.86 0.00 0.00 4.78 0.04 -1.92 -3.02 116.94 117.67 1ykk h PHE 99 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1ykk h PHE 99 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1ykk h PHE 99 CO 0.00 0.07 -1.19 -0.25 -0.60 0.00 0.00 178.31 176.33 1ykk n ASP 100 N -3.14 0.68 -3.37 2.17 8.00 -1.26 -4.70 116.55 114.93 1ykk n ASP 100 Ca 0.02 0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.62 1ykk n ASP 100 Cb 0.45 0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 42.22 1ykk n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ykk s ALA 101 N -3.39 -0.51 -2.00 2.24 0.00 -1.15 -5.01 121.76 111.94 1ykk s ALA 101 Ca -0.02 -0.69 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1ykk s ALA 101 Cb 0.10 -1.98 0.46 0.00 0.00 0.00 0.00 23.12 21.70 1ykk s ALA 101 CO 0.81 -1.98 1.13 0.41 0.00 0.00 0.00 175.76 176.13 1ykk n GLY 102 N 4.65 -0.81 3.07 0.00 0.00 -1.16 -0.28 105.19 110.66 1ykk n GLY 102 Ca 0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1ykk n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 103 N -2.00 2.32 0.36 1.61 2.12 -1.26 -4.53 118.70 117.32 1ykk s GLU 103 Ca 0.11 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.71 1ykk s GLU 103 Cb 0.05 -1.97 -0.08 0.00 0.26 0.00 0.00 34.13 32.39 1ykk s GLU 103 CO 0.09 -0.07 0.77 1.67 -0.54 0.00 0.00 175.26 177.17 1ykk s TRP 104 N 1.02 3.40 0.09 5.30 1.48 -0.54 -4.84 118.94 124.85 1ykk s TRP 104 Ca -0.06 1.19 0.06 0.00 -1.06 0.00 0.00 56.10 56.23 1ykk s TRP 104 Cb -0.15 -2.53 -0.03 0.00 -1.16 0.00 0.00 33.47 29.60 1ykk s TRP 104 CO -0.03 -0.00 -0.15 0.95 -4.06 0.00 0.00 176.95 173.67 1ykk s THR 105 N -2.15 1.25 -0.14 0.66 -4.23 -1.26 -2.74 115.64 107.03 1ykk s THR 105 Ca 0.54 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.50 1ykk s THR 105 Cb -0.10 -1.29 0.06 0.00 1.34 0.00 0.00 72.50 72.50 1ykk s THR 105 CO 0.22 -0.29 0.32 -0.22 -0.54 0.00 0.00 174.62 174.11 1ykk s LEU 106 N -2.03 -0.02 -0.32 4.79 2.96 0.28 -4.82 118.68 119.51 1ykk s LEU 106 Ca 0.03 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 54.57 1ykk s LEU 106 Cb -0.08 0.97 0.02 0.00 0.50 0.00 0.00 46.19 47.61 1ykk s LEU 106 CO 0.03 -0.20 0.09 -1.00 -1.32 0.00 0.00 176.35 173.95 1ykk s HIS 107 N 1.73 3.20 0.22 5.38 3.76 -0.52 -0.44 115.29 128.61 1ykk s HIS 107 Ca -0.06 -1.19 -0.05 0.00 -0.15 0.00 0.00 55.06 53.61 1ykk s HIS 107 Cb -0.10 -2.27 0.02 0.00 1.11 0.00 0.00 32.58 31.34 1ykk s HIS 107 CO -0.10 -0.65 0.38 -2.37 -0.85 0.00 0.00 174.74 171.15 1ykk n THR 108 N 4.85 0.00 -3.86 1.30 5.66 -0.99 -1.32 114.28 119.92 1ykk n THR 108 Ca -0.13 -0.77 -0.21 0.00 -3.05 0.00 0.00 64.05 59.88 1ykk n THR 108 Cb 0.46 0.60 -0.04 0.00 -1.55 0.00 0.00 70.33 69.80 1ykk n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykk s VAL 109 N -2.56 3.46 -0.11 1.08 -7.23 -1.26 -0.45 120.40 113.33 1ykk s VAL 109 Ca 0.12 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 1ykk s VAL 109 Cb -0.02 -3.15 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 1ykk s VAL 109 CO 0.09 -0.18 1.15 -0.75 -0.31 0.00 0.00 175.10 175.10 1ykk s LYS 110 N -3.97 4.33 0.46 4.82 2.20 -0.59 -4.82 119.74 122.18 1ykk s LYS 110 Ca 0.40 1.57 -0.24 0.00 -0.36 0.00 0.00 55.97 57.34 1ykk s LYS 110 Cb -0.05 -3.60 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 1ykk s LYS 110 CO 0.26 -0.49 1.27 -1.25 -0.36 0.00 0.00 175.35 174.78 1ykk s PRO 111 N 2.53 3.67 0.87 4.03 0.04 -1.26 -4.13 135.00 140.75 1ykk s PRO 111 Ca 0.52 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 1ykk s PRO 111 Cb -0.21 -2.50 0.15 0.00 0.04 0.00 0.00 34.50 31.98 1ykk s PRO 111 CO 0.18 -0.70 1.21 0.20 0.04 0.00 0.00 177.00 177.93 1ykk s GLY 112 N -1.02 1.73 0.11 0.56 0.00 0.77 -4.69 107.32 104.78 1ykk s GLY 112 Ca 0.63 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.92 1ykk s GLY 112 CO 0.43 -0.49 1.03 0.14 0.00 0.00 0.00 173.10 174.22 1ykk s VAL 113 N -3.65 4.32 0.07 1.40 1.01 -1.26 -4.49 120.40 117.79 1ykk s VAL 113 Ca 0.69 1.86 0.08 0.00 0.00 0.00 0.00 61.98 64.61 1ykk s VAL 113 Cb -0.06 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1ykk s VAL 113 CO 0.50 0.26 -0.20 0.68 0.00 0.00 0.00 175.10 176.33 1ykk s VAL 114 N 0.22 1.66 0.27 2.92 -7.23 -1.26 -4.41 120.40 112.57 1ykk s VAL 114 Ca 0.50 -1.35 -0.09 0.00 -1.81 0.00 0.00 61.98 59.23 1ykk s VAL 114 Cb -0.25 -1.48 -0.07 0.00 0.56 0.00 0.00 36.38 35.14 1ykk s VAL 114 CO 0.31 0.07 0.59 0.20 -0.31 0.00 0.00 175.10 175.96 1ykk s ASN 115 N -1.52 6.59 0.81 4.85 0.01 -1.26 -0.84 114.94 123.58 1ykk s ASN 115 Ca 0.07 0.93 0.00 0.00 -0.71 0.00 0.00 52.86 53.14 1ykk s ASN 115 Cb -0.09 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.34 1ykk s ASN 115 CO 0.03 -0.14 0.00 -0.46 -1.51 0.00 0.00 177.10 175.02 1ykk n ASN 116 N -0.44 0.00 -0.05 -1.22 0.23 -0.56 -4.88 115.26 108.34 1ykk n ASN 116 Ca 0.00 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1ykk n ASN 116 Cb 0.53 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.52 1ykk n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ykk h ALA 117 N -1.57 1.41 0.00 -2.53 0.00 -1.99 -2.52 119.26 112.06 1ykk h ALA 117 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ykk h ALA 117 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ykk h ALA 117 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1ykk n ALA 118 N -2.47 2.24 -0.51 0.00 0.00 -1.26 -4.90 120.51 113.62 1ykk n ALA 118 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ykk n ALA 118 Cb 0.18 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1ykk n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykk n GLY 119 N 1.05 0.74 3.70 0.00 0.00 -0.95 -5.06 105.19 104.66 1ykk n GLY 119 Ca 0.09 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1ykk n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykk s VAL 120 N -2.00 5.17 0.16 1.61 1.01 -1.26 -4.78 120.40 120.31 1ykk s VAL 120 Ca 0.00 0.90 -0.32 0.00 0.00 0.00 0.00 61.98 62.57 1ykk s VAL 120 Cb 0.00 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 1ykk s VAL 120 CO 0.00 0.27 1.68 -2.84 0.00 0.00 0.00 175.10 174.21 1ykk s PRO 121 N 1.02 4.17 0.21 2.72 0.02 -1.26 -1.50 135.00 140.37 1ykk s PRO 121 Ca 0.24 2.49 -0.04 0.00 0.02 0.00 0.00 61.00 63.71 1ykk s PRO 121 Cb -0.15 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 1ykk s PRO 121 CO 0.09 -0.71 0.45 -1.64 -0.33 0.00 0.00 177.00 174.86 1ykk s MET 122 N 1.59 3.61 0.69 5.54 -1.94 -0.02 -4.55 119.30 124.22 1ykk s MET 122 Ca 0.74 -0.10 -0.13 0.00 -1.71 0.00 0.00 55.69 54.49 1ykk s MET 122 Cb -0.46 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 33.62 1ykk s MET 122 CO 0.32 0.36 1.09 0.00 -0.01 0.00 0.00 175.02 176.79 1ykk s ALA 123 N -1.85 2.47 -0.00 3.03 0.00 -1.26 -4.10 121.76 120.04 1ykk s ALA 123 Ca 0.42 0.39 -0.33 0.00 0.00 0.00 0.00 51.96 52.44 1ykk s ALA 123 Cb -0.11 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1ykk s ALA 123 CO 0.27 -1.35 1.88 -2.30 0.00 0.00 0.00 175.76 174.26 1ykk n PRO 124 N -2.78 2.45 -3.99 0.00 -0.02 -1.26 -4.85 135.00 124.55 1ykk n PRO 124 Ca 0.09 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.39 1ykk n PRO 124 Cb 0.53 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 1ykk n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykk s HIS 125 N 3.73 0.35 -0.11 6.00 -3.43 -1.26 -4.31 115.29 116.25 1ykk s HIS 125 Ca 0.89 -0.82 0.02 0.00 -0.80 0.00 0.00 55.06 54.35 1ykk s HIS 125 Cb -0.59 -0.24 0.01 0.00 -1.43 0.00 0.00 32.58 30.33 1ykk s HIS 125 CO 0.46 -0.43 -0.17 0.42 -2.00 0.00 0.00 174.74 173.02 1ykk s ILE 126 N -3.69 1.66 -0.18 -5.38 1.01 -0.78 -4.57 121.20 109.26 1ykk s ILE 126 Ca 0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1ykk s ILE 126 Cb 0.05 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1ykk s ILE 126 CO -0.10 0.47 0.82 0.20 0.00 0.00 0.00 174.94 176.34 1ykk s ASN 127 N 0.90 6.92 0.05 3.58 0.01 0.24 -0.69 114.94 125.94 1ykk s ASN 127 Ca -0.08 1.14 0.07 0.00 -0.71 0.00 0.00 52.86 53.28 1ykk s ASN 127 Cb -0.15 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1ykk s ASN 127 CO -0.01 -0.41 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.39 1ykk s ILE 128 N 2.23 2.98 -0.14 0.60 1.01 0.92 -0.54 121.20 128.25 1ykk s ILE 128 Ca 0.37 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1ykk s ILE 128 Cb -0.16 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.06 1ykk s ILE 128 CO 0.12 0.30 -0.04 -0.44 0.00 0.00 0.00 174.94 174.88 1ykk s SER 129 N -1.57 2.49 -0.22 3.58 0.01 -0.00 -1.12 113.70 116.87 1ykk s SER 129 Ca 0.16 -0.51 -0.09 0.00 1.31 0.00 0.00 55.95 56.82 1ykk s SER 129 Cb -0.11 -0.77 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1ykk s SER 129 CO 0.07 -0.19 0.12 -0.22 0.41 0.00 0.00 173.24 173.43 1ykk s LEU 130 N 1.74 3.97 0.04 2.44 2.96 0.99 -1.15 118.68 129.67 1ykk s LEU 130 Ca 0.02 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.07 1ykk s LEU 130 Cb -0.14 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1ykk s LEU 130 CO -0.07 0.09 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.50 1ykk s PHE 131 N 0.91 1.62 -0.01 5.38 0.40 0.62 -1.55 117.98 125.35 1ykk s PHE 131 Ca 0.06 -0.36 -0.30 0.00 -0.60 0.00 0.00 56.93 55.73 1ykk s PHE 131 Cb -0.13 -0.97 0.11 0.00 0.51 0.00 0.00 43.02 42.54 1ykk s PHE 131 CO 0.03 0.07 1.28 0.00 0.70 0.00 0.00 175.22 177.30 1ykk s ALA 132 N -0.80 -2.27 0.36 5.36 0.00 -1.26 0.22 121.76 123.37 1ykk s ALA 132 Ca 0.06 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 1ykk s ALA 132 Cb -0.08 0.49 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 1ykk s ALA 132 CO 0.02 -1.08 1.26 -0.98 0.00 0.00 0.00 175.76 174.98 1ykk s ARG 133 N -2.33 4.23 0.00 0.00 1.70 -1.25 -2.17 118.95 119.13 1ykk s ARG 133 Ca 0.18 2.08 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 1ykk s ARG 133 Cb 0.04 -2.93 0.00 0.00 -0.57 0.00 0.00 34.95 31.49 1ykk s ARG 133 CO -0.03 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 1ykk n GLY 134 N 0.78 2.12 3.22 3.88 0.00 -1.26 -4.96 105.19 108.96 1ykk n GLY 134 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ykk n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykk s ILE 135 N -2.44 4.30 0.20 -0.61 1.01 -0.92 -4.96 121.20 117.79 1ykk s ILE 135 Ca 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 60.65 58.75 1ykk s ILE 135 Cb 0.00 -3.83 0.13 0.00 0.01 0.00 0.00 42.46 38.77 1ykk s ILE 135 CO 0.00 -0.79 1.75 0.78 0.00 0.00 0.00 174.94 176.68 1ykk h ASN 136 N 8.44 1.02 -3.62 3.58 2.35 -1.89 -3.37 115.58 122.09 1ykk h ASN 136 Ca -0.21 -0.18 -0.39 0.00 -0.55 0.00 0.00 56.30 54.97 1ykk h ASN 136 Cb 1.07 -0.27 -0.32 0.00 0.05 0.00 0.00 38.32 38.85 1ykk h ASN 136 CO 0.87 0.93 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.30 1ykk s ILE 137 N -5.51 0.51 0.55 2.81 2.07 -1.26 -3.17 121.20 117.19 1ykk s ILE 137 Ca -0.12 -0.16 -0.20 0.00 -1.41 0.00 0.00 60.65 58.76 1ykk s ILE 137 Cb 0.15 -0.51 -0.08 0.00 0.13 0.00 0.00 42.46 42.15 1ykk s ILE 137 CO 0.83 0.20 0.79 0.00 -1.91 0.00 0.00 174.94 174.84 1ykk n HIS 138 N 3.69 0.26 -3.72 3.50 1.44 -1.26 -5.00 115.22 114.13 1ykk n HIS 138 Ca -0.22 0.47 -0.36 0.00 -2.01 0.00 0.00 57.72 55.60 1ykk n HIS 138 Cb 0.53 -2.08 -0.10 0.00 0.12 0.00 0.00 29.99 28.46 1ykk n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykk s LEU 139 N -0.51 3.97 -0.09 2.39 1.43 -0.60 -4.89 118.68 120.38 1ykk s LEU 139 Ca 0.70 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.71 1ykk s LEU 139 Cb -0.46 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1ykk s LEU 139 CO 0.52 0.06 0.35 -1.00 0.23 0.00 0.00 176.35 176.51 1ykk s HIS 140 N 1.10 3.58 0.26 0.29 3.76 -1.26 -0.00 115.29 123.01 1ykk s HIS 140 Ca 0.07 0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 55.65 1ykk s HIS 140 Cb -0.14 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 1ykk s HIS 140 CO 0.04 0.42 0.46 -0.08 -0.85 0.00 0.00 174.74 174.73 1ykk s THR 141 N -0.19 0.00 0.07 1.30 -1.32 -0.27 -0.25 115.64 114.97 1ykk s THR 141 Ca 0.21 -1.47 0.06 0.00 -1.21 0.00 0.00 61.69 59.28 1ykk s THR 141 Cb -0.15 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 1ykk s THR 141 CO 0.08 0.00 -0.17 -0.13 -2.21 0.00 0.00 174.62 172.19 1ykk s ARG 142 N -3.90 1.05 -0.21 7.08 0.52 -1.26 -0.06 118.95 122.17 1ykk s ARG 142 Ca 0.24 -0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 1ykk s ARG 142 Cb -0.00 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.30 1ykk s ARG 142 CO 0.10 0.28 -0.04 -1.17 0.02 0.00 0.00 175.30 174.49 1ykk s LEU 143 N -1.53 2.96 0.31 2.53 0.20 0.13 -4.75 118.68 118.53 1ykk s LEU 143 Ca 0.03 -0.34 0.09 0.00 0.69 0.00 0.00 54.13 54.60 1ykk s LEU 143 Cb -0.09 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 1ykk s LEU 143 CO 0.03 0.01 0.06 -0.31 -0.29 0.00 0.00 176.35 175.85 1ykk s TYR 144 N 1.29 2.67 -0.01 5.38 1.51 0.11 -1.87 117.35 126.41 1ykk s TYR 144 Ca 0.03 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1ykk s TYR 144 Cb -0.14 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1ykk s TYR 144 CO -0.01 0.47 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.78 1ykk s PHE 145 N -2.41 2.92 -0.31 2.71 0.40 -1.26 -0.23 117.98 119.80 1ykk s PHE 145 Ca 0.35 -0.01 0.27 0.00 -0.60 0.00 0.00 56.93 56.94 1ykk s PHE 145 Cb -0.03 -1.64 1.00 0.00 0.51 0.00 0.00 43.02 42.85 1ykk s PHE 145 CO 0.21 0.38 1.80 0.38 0.70 0.00 0.00 175.22 178.69 1ykk h ASP 146 N 4.68 0.00 -0.32 1.36 2.03 -1.84 -3.07 116.42 119.25 1ykk h ASP 146 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1ykk h ASP 146 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1ykk h ASP 146 CO 0.54 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.85 1ykk n ASP 147 N -2.67 2.21 -1.60 4.15 5.75 -1.26 -3.91 116.55 119.22 1ykk n ASP 147 Ca 0.02 -1.88 -0.15 0.00 -0.01 0.00 0.00 54.79 52.77 1ykk n ASP 147 Cb 0.33 -0.21 0.08 0.00 -1.03 0.00 0.00 41.12 40.29 1ykk n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykk n GLU 148 N 0.69 2.94 -0.29 0.11 -0.58 -1.16 -4.88 120.64 117.47 1ykk n GLU 148 Ca 0.16 -3.86 0.16 0.00 -0.42 0.00 0.00 57.16 53.20 1ykk n GLU 148 Cb 0.38 -2.08 0.43 0.00 -0.57 0.00 0.00 31.44 29.61 1ykk n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykk h ALA 149 N 1.79 1.98 -0.30 0.62 0.00 -1.77 -0.13 119.26 121.46 1ykk h ALA 149 Ca 0.27 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1ykk h ALA 149 Cb 1.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1ykk h ALA 149 CO 0.56 -0.29 -0.34 1.96 0.00 0.00 0.00 179.25 181.13 1ykk h GLN 150 N 0.57 0.65 0.06 0.00 4.20 -1.94 -2.17 115.11 116.48 1ykk h GLN 150 Ca 0.51 -0.31 -0.24 0.00 0.06 0.00 0.00 58.65 58.67 1ykk h GLN 150 Cb 1.03 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1ykk h GLN 150 CO -0.25 0.90 -1.06 0.00 -0.67 0.00 0.00 178.83 177.75 1ykk h ALA 151 N 1.07 0.28 -0.11 3.87 0.00 -1.76 -3.22 119.26 119.39 1ykk h ALA 151 Ca 0.06 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 1ykk h ALA 151 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ykk h ALA 151 CO 0.07 0.95 -0.23 -0.91 0.00 0.00 0.00 179.25 179.13 1ykk h ASN 152 N 0.11 0.19 1.70 0.00 2.35 -0.94 -2.11 115.58 116.88 1ykk h ASN 152 Ca -0.09 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1ykk h ASN 152 Cb 1.75 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 40.07 1ykk h ASN 152 CO 0.17 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.38 1ykk h ALA 153 N 1.59 1.00 -0.23 -0.83 0.00 -1.42 -3.27 119.26 116.10 1ykk h ALA 153 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ykk h ALA 153 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ykk h ALA 153 CO 0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.92 1ykk n LYS 154 N -2.87 1.98 -2.50 0.00 5.02 -0.96 -4.96 118.16 113.87 1ykk n LYS 154 Ca 0.04 -1.73 -0.42 0.00 -2.02 0.00 0.00 58.31 54.18 1ykk n LYS 154 Cb 0.47 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1ykk n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykk h PRO 156 N 6.71 0.00 0.08 0.00 0.11 -1.92 -1.78 132.00 135.20 1ykk h PRO 156 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.57 1ykk h PRO 156 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ykk h PRO 156 CO 0.79 0.31 -0.52 0.28 -0.21 0.00 0.00 178.00 178.64 1ykk h VAL 157 N 0.00 1.59 -0.05 3.15 2.07 -1.96 -3.15 116.25 117.90 1ykk h VAL 157 Ca -0.00 -2.39 -0.08 0.00 0.82 0.00 0.00 66.70 65.05 1ykk h VAL 157 Cb 0.59 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 1ykk h VAL 157 CO 0.04 0.66 -0.32 0.25 0.02 0.00 0.00 177.57 178.22 1ykk h LEU 158 N -0.53 0.10 0.00 2.57 5.85 -1.89 -2.04 115.31 119.37 1ykk h LEU 158 Ca -0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1ykk h LEU 158 Cb 1.38 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1ykk h LEU 158 CO 0.10 0.42 0.00 0.59 -0.34 0.00 0.00 178.44 179.21 1ykk n ASN 159 N -4.13 0.00 0.13 1.25 3.02 -0.67 -2.89 115.26 111.96 1ykk n ASN 159 Ca -0.02 -0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.54 1ykk n ASN 159 Cb 0.38 -0.29 0.23 0.00 -0.61 0.00 0.00 39.78 39.49 1ykk n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykk h LEU 160 N 0.00 0.00 -8.65 3.41 3.38 -1.32 -3.42 115.31 108.71 1ykk h LEU 160 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 1ykk h LEU 160 Cb 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1ykk h LEU 160 CO 0.00 0.02 0.84 -0.63 0.09 0.00 0.00 178.44 178.76 1ykk s ILE 161 N -3.18 4.22 0.20 1.22 1.01 -1.14 -4.94 121.20 118.58 1ykk s ILE 161 Ca 0.07 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.48 1ykk s ILE 161 Cb 0.10 -4.60 0.15 0.00 0.01 0.00 0.00 42.46 38.12 1ykk s ILE 161 CO 0.67 -1.07 1.58 -0.33 0.00 0.00 0.00 174.94 175.79 1ykk h GLU 162 N 9.29 -0.12 -5.70 2.79 5.08 -1.88 -3.41 114.58 120.62 1ykk h GLU 162 Ca -0.24 0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.55 1ykk h GLU 162 Cb 1.06 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 1ykk h GLU 162 CO 1.12 -0.08 -0.05 -0.65 -1.00 0.00 0.00 179.01 178.35 1ykk s GLN 163 N -6.01 4.29 0.48 2.33 -1.52 -1.26 -4.98 119.66 112.98 1ykk s GLN 163 Ca -0.14 0.51 0.13 0.00 -1.95 0.00 0.00 55.36 53.91 1ykk s GLN 163 Cb 0.17 -3.49 1.12 0.00 -0.22 0.00 0.00 33.01 30.58 1ykk s GLN 163 CO 0.70 0.00 2.09 -1.35 -0.25 0.00 0.00 175.29 176.48 1ykk h PRO 164 N 7.05 0.22 0.00 2.91 0.11 -1.98 -2.66 132.00 137.65 1ykk h PRO 164 Ca -0.37 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 1ykk h PRO 164 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ykk h PRO 164 CO 0.75 0.15 -0.26 1.96 -0.21 0.00 0.00 178.00 180.39 1ykk h GLN 165 N 0.23 0.00 0.00 1.05 7.50 -1.96 -2.65 115.11 119.28 1ykk h GLN 165 Ca 0.09 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.24 1ykk h GLN 165 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1ykk h GLN 165 CO -0.02 0.26 -0.42 0.00 -1.50 0.00 0.00 178.83 177.15 1ykk h ARG 166 N 0.00 0.00 0.00 1.46 3.08 -1.88 -3.27 114.38 113.77 1ykk h ARG 166 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 1ykk h ARG 166 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1ykk h ARG 166 CO 0.03 0.00 -0.49 0.00 -1.07 0.00 0.00 179.97 178.45 1ykk h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.47 -3.06 114.38 112.97 1ykk h ARG 167 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ykk h ARG 167 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ykk h ARG 167 CO 0.00 0.49 -0.06 0.93 -1.07 0.00 0.00 179.97 180.25 1ykk h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.61 -2.74 114.58 115.36 1ykk h GLU 168 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ykk h GLU 168 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1ykk h GLU 168 CO 0.06 0.06 0.00 1.79 -1.00 0.00 0.00 179.01 179.93 1ykk h THR 169 N 0.00 0.00 -0.02 1.13 1.35 -1.71 -2.85 112.91 110.80 1ykk h THR 169 Ca -0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1ykk h THR 169 Cb 0.48 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1ykk h THR 169 CO 0.01 0.00 -0.02 0.18 -0.25 0.00 0.00 175.52 175.44 1ykk n LEU 170 N -2.95 2.11 -4.54 3.87 4.77 -1.03 -4.83 117.00 114.40 1ykk n LEU 170 Ca 0.02 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.92 1ykk n LEU 170 Cb 0.38 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1ykk n LEU 170 CO 0.29 0.35 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.87 1ykk s ILE 171 N -2.02 5.00 0.00 -0.08 1.01 -1.08 0.04 121.20 124.07 1ykk s ILE 171 Ca 0.33 0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.77 1ykk s ILE 171 Cb 0.20 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1ykk s ILE 171 CO 0.33 0.27 0.81 0.00 0.00 0.00 0.00 174.94 176.35 1ykk s ALA 172 N 1.71 3.30 -0.12 9.38 0.00 0.68 -4.91 121.76 131.80 1ykk s ALA 172 Ca 0.07 0.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 1ykk s ALA 172 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1ykk s ALA 172 CO 0.09 -0.07 0.91 0.15 0.00 0.00 0.00 175.76 176.84 1ykk s LYS 173 N 0.49 4.38 0.13 0.00 1.02 -0.65 -2.55 119.74 122.57 1ykk s LYS 173 Ca 0.42 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 57.31 1ykk s LYS 173 Cb -0.20 -3.54 -0.07 0.00 -0.52 0.00 0.00 37.83 33.49 1ykk s LYS 173 CO 0.23 -0.28 1.24 0.50 -0.92 0.00 0.00 175.35 176.13 1ykk s ARG 174 N 1.92 4.43 0.26 1.68 3.52 -1.26 -0.51 118.95 128.98 1ykk s ARG 174 Ca 0.44 1.89 0.01 0.00 -0.13 0.00 0.00 55.73 57.93 1ykk s ARG 174 Cb -0.18 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1ykk s ARG 174 CO 0.16 -0.21 0.32 0.00 -0.81 0.00 0.00 175.30 174.76 1ykk s GLU 176 N -2.71 0.94 -0.33 0.00 2.02 -1.26 -1.56 118.70 115.80 1ykk s GLU 176 Ca 0.24 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.19 1ykk s GLU 176 Cb -0.00 -1.12 0.08 0.00 0.10 0.00 0.00 34.13 33.20 1ykk s GLU 176 CO 0.17 -0.23 0.03 0.08 0.02 0.00 0.00 175.26 175.34 1ykk s VAL 177 N 1.59 2.54 -1.32 2.63 1.01 -1.07 -4.79 120.40 120.99 1ykk s VAL 177 Ca 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.00 1ykk s VAL 177 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1ykk s VAL 177 CO -0.04 -0.40 0.70 0.47 0.00 0.00 0.00 175.10 175.83 1ykk n ASP 178 N 4.41 -1.26 0.00 3.32 8.00 -1.26 -2.42 116.55 127.34 1ykk n ASP 178 Ca -0.04 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1ykk n ASP 178 Cb 0.42 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 1ykk n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykk n GLY 179 N -1.60 0.65 3.79 0.44 0.00 -1.26 -5.01 105.19 102.20 1ykk n GLY 179 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1ykk n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykk s LYS 180 N -0.30 3.20 -0.10 1.61 2.47 -1.02 -5.06 119.74 120.55 1ykk s LYS 180 Ca 0.00 -0.30 -0.29 0.00 -1.56 0.00 0.00 55.97 53.81 1ykk s LYS 180 Cb 0.00 -2.98 -0.04 0.00 -1.46 0.00 0.00 37.83 33.35 1ykk s LYS 180 CO 0.00 0.73 1.60 0.99 0.16 0.00 0.00 175.35 178.82 1ykk s THR 181 N -1.01 3.70 0.04 3.43 2.01 -1.26 -2.61 115.64 119.94 1ykk s THR 181 Ca 0.16 0.84 0.07 0.00 0.31 0.00 0.00 61.69 63.06 1ykk s THR 181 Cb -0.12 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1ykk s THR 181 CO 0.05 -0.11 -0.19 0.00 -0.69 0.00 0.00 174.62 173.69 1ykk s ALA 182 N 4.17 1.58 -0.06 7.40 0.00 -0.60 -0.72 121.76 133.52 1ykk s ALA 182 Ca 0.71 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1ykk s ALA 182 Cb -0.30 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.53 1ykk s ALA 182 CO 0.27 0.34 -0.16 0.71 0.00 0.00 0.00 175.76 176.92 1ykk s TYR 183 N -0.83 1.74 -0.24 0.00 1.51 -0.59 0.31 117.35 119.25 1ykk s TYR 183 Ca 0.06 -0.61 -0.10 0.00 -1.01 0.00 0.00 57.07 55.41 1ykk s TYR 183 Cb -0.09 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1ykk s TYR 183 CO 0.02 -0.27 0.13 0.50 -1.11 0.00 0.00 175.55 174.82 1ykk s ARG 184 N 0.40 3.97 -0.36 -0.62 3.52 0.33 -2.15 118.95 124.03 1ykk s ARG 184 Ca -0.12 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1ykk s ARG 184 Cb -0.15 -3.47 0.11 0.00 -1.56 0.00 0.00 34.95 29.89 1ykk s ARG 184 CO 0.04 0.02 0.15 0.12 -0.81 0.00 0.00 175.30 174.82 1ykk s PHE 185 N 1.14 1.91 0.05 5.12 5.36 0.04 -1.63 117.98 129.97 1ykk s PHE 185 Ca 0.06 -2.07 -0.21 0.00 -0.96 0.00 0.00 56.93 53.75 1ykk s PHE 185 Cb -0.14 -1.83 -0.06 0.00 -0.34 0.00 0.00 43.02 40.65 1ykk s PHE 185 CO 0.05 -0.85 0.64 -0.51 -1.46 0.00 0.00 175.22 173.09 1ykk s ASP 186 N 1.08 7.10 -0.22 6.13 1.01 -1.26 -4.12 116.67 126.39 1ykk s ASP 186 Ca 0.13 1.30 -0.05 0.00 0.71 0.00 0.00 52.55 54.64 1ykk s ASP 186 Cb -0.20 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1ykk s ASP 186 CO -0.14 0.16 -0.01 -0.63 0.21 0.00 0.00 175.17 174.77 1ykk s ILE 187 N -0.61 3.77 -0.38 0.77 1.01 -0.49 -4.96 121.20 120.31 1ykk s ILE 187 Ca 0.32 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1ykk s ILE 187 Cb -0.20 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.63 1ykk s ILE 187 CO 0.20 0.41 0.18 -0.13 0.00 0.00 0.00 174.94 175.59 1ykk s ARG 188 N 1.33 2.44 0.29 2.79 0.52 -1.26 -0.46 118.95 124.59 1ykk s ARG 188 Ca 0.04 -1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 53.78 1ykk s ARG 188 Cb -0.15 -3.58 0.42 0.00 0.52 0.00 0.00 34.95 32.16 1ykk s ARG 188 CO 0.00 -0.88 1.85 0.82 0.02 0.00 0.00 175.30 177.12 1ykk h ILE 189 N 6.22 1.22 -3.47 1.52 2.04 -1.65 0.69 117.51 124.07 1ykk h ILE 189 Ca -0.20 -0.74 -0.12 0.00 1.00 0.00 0.00 64.86 64.80 1ykk h ILE 189 Cb 1.07 0.58 -0.18 0.00 -0.74 0.00 0.00 36.82 37.54 1ykk h ILE 189 CO 0.68 0.28 -0.40 -1.58 0.00 0.00 0.00 178.15 177.14 1ykk s GLN 190 N -5.31 0.64 1.67 2.37 0.74 -1.26 -4.75 119.66 113.76 1ykk s GLN 190 Ca -0.10 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.80 1ykk s GLN 190 Cb 0.16 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.54 1ykk s GLN 190 CO 0.80 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.77 1ykk n GLY 191 N 0.95 0.28 3.68 2.59 0.00 -1.26 -4.17 105.19 107.25 1ykk n GLY 191 Ca -0.20 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1ykk n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 192 N 0.00 4.22 -0.36 1.61 2.12 -1.26 -2.54 118.70 122.48 1ykk s GLU 192 Ca 0.00 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.48 1ykk s GLU 192 Cb 0.00 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1ykk s GLU 192 CO 0.00 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 1ykk n GLY 193 N 3.94 0.41 3.67 -1.50 0.00 -1.26 -4.97 105.19 105.47 1ykk n GLY 193 Ca 0.16 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.91 1ykk n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykk n GLU 194 N -2.01 2.19 -2.16 1.61 2.13 -1.05 -4.61 120.64 116.74 1ykk n GLU 194 Ca -0.04 0.79 -0.41 0.00 0.66 0.00 0.00 57.16 58.16 1ykk n GLU 194 Cb 0.36 -2.58 -0.02 0.00 0.27 0.00 0.00 31.44 29.47 1ykk n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykk s THR 195 N 1.49 2.82 0.09 6.31 2.01 0.23 -4.95 115.64 123.64 1ykk s THR 195 Ca 0.81 0.82 -0.31 0.00 0.31 0.00 0.00 61.69 63.32 1ykk s THR 195 Cb -0.67 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.25 1ykk s THR 195 CO 0.40 0.19 1.33 -0.69 -0.69 0.00 0.00 174.62 175.16 1ykk s VAL 196 N -1.09 3.57 0.01 3.82 1.01 -1.26 -4.94 120.40 121.52 1ykk s VAL 196 Ca 0.49 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.65 1ykk s VAL 196 Cb -0.39 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1ykk s VAL 196 CO 0.51 0.08 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 1ykk s PHE 197 N 1.19 2.55 0.27 5.22 0.08 -1.26 -4.69 117.98 121.35 1ykk s PHE 197 Ca 0.63 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 57.48 1ykk s PHE 197 Cb -0.34 -1.50 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1ykk s PHE 197 CO 0.30 0.20 0.21 -0.06 -0.10 0.00 0.00 175.22 175.76 1ykk s PHE 198 N -0.84 3.04 -0.03 0.36 0.08 0.66 -4.99 117.98 116.27 1ykk s PHE 198 Ca 0.13 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.03 1ykk s PHE 198 Cb -0.10 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1ykk s PHE 198 CO 0.03 0.44 -0.05 0.34 -0.10 0.00 0.00 175.22 175.89 1ykk s ASP 199 N -3.87 0.83 0.00 1.36 3.68 -1.26 -4.19 116.67 113.22 1ykk s ASP 199 Ca 0.35 -0.12 0.00 0.00 2.13 0.00 0.00 52.55 54.91 1ykk s ASP 199 Cb -0.07 -0.29 0.00 0.00 -1.45 0.00 0.00 42.92 41.11 1ykk s ASP 199 CO 0.25 0.00 0.00 2.22 0.13 0.00 0.00 175.17 177.77