#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykm s ILE 2 N 0.00 4.41 -0.17 4.25 -1.09 -1.26 -5.02 121.20 122.33 1ykm s ILE 2 Ca 0.00 1.62 -0.05 0.00 -2.23 0.00 0.00 60.65 59.99 1ykm s ILE 2 Cb 0.00 -4.33 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1ykm s ILE 2 CO 0.00 -0.45 0.01 -1.61 -1.23 0.00 0.00 174.94 171.66 1ykm s GLU 3 N 3.76 3.81 0.48 2.79 0.41 -1.26 -5.11 118.70 123.58 1ykm s GLU 3 Ca 0.49 -0.43 0.04 0.00 -0.41 0.00 0.00 54.97 54.65 1ykm s GLU 3 Cb -0.14 -3.05 0.09 0.00 -1.78 0.00 0.00 34.13 29.25 1ykm s GLU 3 CO 0.17 0.27 0.67 1.28 -0.49 0.00 0.00 175.26 177.15 1ykm n LEU 4 N 3.50 0.00 -4.75 1.80 4.32 -1.26 -5.06 117.00 115.56 1ykm n LEU 4 Ca -0.17 -1.73 -0.41 0.00 -0.02 0.00 0.00 56.01 53.68 1ykm n LEU 4 Cb 0.52 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1ykm n LEU 4 CO 0.34 -0.76 0.92 -0.76 -1.22 0.00 0.00 177.39 175.91 1ykm s LEU 5 N 0.00 4.45 0.32 2.23 1.43 -1.26 -4.99 118.68 120.86 1ykm s LEU 5 Ca 0.47 2.37 -0.27 0.00 -1.03 0.00 0.00 54.13 55.67 1ykm s LEU 5 Cb -0.03 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 1ykm s LEU 5 CO 0.31 -0.42 1.05 -2.16 0.23 0.00 0.00 176.35 175.36 1ykm s PRO 6 N -0.64 4.50 0.41 1.29 0.04 -1.26 -5.01 135.00 134.33 1ykm s PRO 6 Ca 0.52 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1ykm s PRO 6 Cb -0.35 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1ykm s PRO 6 CO 0.40 0.14 1.31 -2.00 0.04 0.00 0.00 177.00 176.90 1ykm s GLU 7 N -1.84 3.94 0.18 4.56 2.12 -1.26 -4.94 118.70 121.46 1ykm s GLU 7 Ca 0.49 2.18 -0.32 0.00 0.36 0.00 0.00 54.97 57.69 1ykm s GLU 7 Cb -0.26 -2.75 -0.11 0.00 0.26 0.00 0.00 34.13 31.27 1ykm s GLU 7 CO 0.33 -0.52 1.78 0.99 -0.54 0.00 0.00 175.26 177.30 1ykm s THR 8 N -1.26 2.20 0.50 -1.70 2.01 -1.26 -4.94 115.64 111.19 1ykm s THR 8 Ca 0.57 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.34 1ykm s THR 8 Cb -0.39 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1ykm s THR 8 CO 0.50 0.00 1.35 -2.84 -0.69 0.00 0.00 174.62 172.94 1ykm s PRO 9 N 1.81 3.41 0.50 4.92 0.02 -1.26 -5.02 135.00 139.37 1ykm s PRO 9 Ca 0.78 2.22 -0.13 0.00 0.02 0.00 0.00 61.00 63.89 1ykm s PRO 9 Cb -0.49 -2.41 -0.06 0.00 0.02 0.00 0.00 34.50 31.56 1ykm s PRO 9 CO 0.34 -0.97 0.91 0.45 -0.33 0.00 0.00 177.00 177.40 1ykm s SER 10 N -0.87 6.50 0.11 2.53 0.15 -1.26 -5.09 113.70 115.76 1ykm s SER 10 Ca 0.67 1.37 -0.03 0.00 0.70 0.00 0.00 55.95 58.66 1ykm s SER 10 Cb -0.40 -2.43 -0.03 0.00 -1.71 0.00 0.00 66.02 61.45 1ykm s SER 10 CO 0.48 -0.58 0.07 -1.10 1.20 0.00 0.00 173.24 173.32 1ykm s GLN 11 N -4.24 0.85 0.54 5.44 -1.52 -1.19 -4.90 119.66 114.64 1ykm s GLN 11 Ca 0.55 -1.29 -0.21 0.00 -1.95 0.00 0.00 55.36 52.46 1ykm s GLN 11 Cb -0.10 0.26 -0.05 0.00 -0.22 0.00 0.00 33.01 32.90 1ykm s GLN 11 CO 0.36 -0.24 1.25 -0.08 -0.25 0.00 0.00 175.29 176.33 1ykm s THR 12 N -3.98 2.57 -0.20 -0.19 -1.32 -1.20 -4.71 115.64 106.61 1ykm s THR 12 Ca 0.16 0.39 0.29 0.00 -1.21 0.00 0.00 61.69 61.32 1ykm s THR 12 Cb 0.07 -3.18 0.33 0.00 -1.51 0.00 0.00 72.50 68.21 1ykm s THR 12 CO -0.03 -0.04 1.85 0.00 -2.21 0.00 0.00 174.62 174.19 1ykm h ALA 13 N 1.38 1.00 0.00 11.08 0.00 -1.75 -3.50 119.26 127.47 1ykm h ALA 13 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ykm h ALA 13 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ykm h ALA 13 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1ykm n GLY 14 N 0.18 -1.40 0.23 0.00 0.00 -1.26 -4.10 105.19 98.84 1ykm n GLY 14 Ca 0.02 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.55 1ykm n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykm h PRO 15 N 0.00 0.00 -0.86 1.61 0.13 -1.93 -3.14 132.00 127.81 1ykm h PRO 15 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1ykm h PRO 15 Cb 0.00 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 30.81 1ykm h PRO 15 CO 0.00 0.23 0.26 0.66 -0.23 0.00 0.00 178.00 178.92 1ykm n TYR 16 N -3.70 2.88 0.28 1.56 4.01 -1.26 -4.67 117.16 116.25 1ykm n TYR 16 Ca -0.01 -2.57 0.12 0.00 -0.16 0.00 0.00 57.90 55.27 1ykm n TYR 16 Cb 0.34 -0.99 0.78 0.00 -0.31 0.00 0.00 39.34 39.16 1ykm n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykm h VAL 17 N 1.35 0.75 -0.09 -0.72 3.04 -1.69 -2.77 116.25 116.11 1ykm h VAL 17 Ca 0.50 -0.06 -0.05 0.00 -1.01 0.00 0.00 66.70 66.09 1ykm h VAL 17 Cb 1.27 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 1ykm h VAL 17 CO 1.20 0.01 -0.17 0.45 -1.01 0.00 0.00 177.57 178.05 1ykm h HIS 18 N 0.00 0.15 0.00 3.17 3.86 -1.86 -2.63 115.15 117.84 1ykm h HIS 18 Ca -0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1ykm h HIS 18 Cb 0.03 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1ykm h HIS 18 CO 0.00 0.31 -0.13 -0.84 0.86 0.00 0.00 177.93 178.13 1ykm h ILE 19 N 0.13 0.86 0.00 2.45 3.07 -1.72 0.38 117.51 122.68 1ykm h ILE 19 Ca 0.03 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1ykm h ILE 19 Cb 0.38 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 1ykm h ILE 19 CO 0.02 0.13 -1.01 0.61 -1.05 0.00 0.00 178.15 176.85 1ykm n GLY 20 N -0.96 -0.29 0.00 0.16 0.00 -1.17 -4.58 105.19 98.35 1ykm n GLY 20 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ykm n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykm n LEU 21 N -1.57 0.44 -2.78 0.99 4.77 -1.00 -4.88 117.00 112.96 1ykm n LEU 21 Ca 0.00 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.31 1ykm n LEU 21 Cb 0.24 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1ykm n LEU 21 CO 0.24 0.11 0.21 0.00 -1.33 0.00 0.00 177.39 176.61 1ykm n ALA 22 N -0.26 -0.87 -0.32 -1.18 0.00 0.10 -4.98 120.51 113.00 1ykm n ALA 22 Ca 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 53.44 51.91 1ykm n ALA 22 Cb 0.05 -1.23 0.22 0.00 0.00 0.00 0.00 19.45 18.49 1ykm n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykm h LEU 23 N 3.61 0.70 -0.37 0.00 4.07 -1.74 -1.92 115.31 119.65 1ykm h LEU 23 Ca -0.11 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1ykm h LEU 23 Cb 1.04 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1ykm h LEU 23 CO 0.27 0.34 0.02 -0.08 -1.08 0.00 0.00 178.44 177.90 1ykm h GLU 24 N 0.77 0.65 0.00 1.13 4.81 -1.88 -2.09 114.58 117.97 1ykm h GLU 24 Ca 0.47 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1ykm h GLU 24 Cb 0.57 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ykm h GLU 24 CO -0.31 0.74 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1ykm h ALA 25 N 0.88 1.00 -0.26 2.92 0.00 -1.84 -2.29 119.26 119.67 1ykm h ALA 25 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ykm h ALA 25 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ykm h ALA 25 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1ykm n ALA 26 N -1.96 2.47 -1.40 0.00 0.00 -0.75 -4.95 120.51 113.93 1ykm n ALA 26 Ca 0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 1ykm n ALA 26 Cb 0.27 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1ykm n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykm n GLY 27 N 1.32 1.40 3.80 0.00 0.00 -0.86 -4.96 105.19 105.89 1ykm n GLY 27 Ca 0.17 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1ykm n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykm s ASN 28 N -2.73 5.57 0.27 1.61 0.01 -0.82 -5.05 114.94 113.80 1ykm s ASN 28 Ca 0.00 -0.06 -0.30 0.00 -0.71 0.00 0.00 52.86 51.79 1ykm s ASN 28 Cb 0.00 -1.49 -0.11 0.00 0.41 0.00 0.00 41.25 40.07 1ykm s ASN 28 CO 0.00 0.11 1.53 -2.16 -1.51 0.00 0.00 177.10 175.07 1ykm s PRO 29 N -2.81 4.19 0.57 -0.60 0.04 -1.26 -4.20 135.00 130.92 1ykm s PRO 29 Ca 0.30 2.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.73 1ykm s PRO 29 Cb -0.11 -3.06 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1ykm s PRO 29 CO 0.23 -0.54 0.90 0.95 0.04 0.00 0.00 177.00 178.57 1ykm s THR 30 N 0.04 4.14 0.63 1.26 -4.23 -1.26 -4.94 115.64 111.28 1ykm s THR 30 Ca 0.62 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1ykm s THR 30 Cb -0.45 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 69.83 1ykm s THR 30 CO 0.45 -0.67 0.88 -0.13 -0.54 0.00 0.00 174.62 174.61 1ykm s ARG 31 N -4.96 2.21 0.20 3.99 0.52 -1.26 -5.02 118.95 114.63 1ykm s ARG 31 Ca 0.52 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.83 1ykm s ARG 31 Cb -0.11 -2.39 0.24 0.00 0.52 0.00 0.00 34.95 33.22 1ykm s ARG 31 CO 0.47 -1.03 1.77 -0.44 0.02 0.00 0.00 175.30 176.08 1ykm h ASP 32 N -0.22 0.32 -3.17 0.23 3.32 -2.07 -3.40 116.42 111.42 1ykm h ASP 32 Ca -0.41 0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.06 1ykm h ASP 32 Cb 1.29 0.01 -0.36 0.00 0.22 0.00 0.00 39.33 40.49 1ykm h ASP 32 CO 0.50 0.20 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.28 1ykm s GLN 33 N -6.10 2.61 0.13 3.56 -0.21 -1.26 -5.13 119.66 113.26 1ykm s GLN 33 Ca -0.13 -0.77 0.11 0.00 0.02 0.00 0.00 55.36 54.58 1ykm s GLN 33 Cb 0.16 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1ykm s GLN 33 CO 0.74 -0.27 -0.26 -1.21 -2.12 0.00 0.00 175.29 172.18 1ykm s GLU 34 N 1.35 1.35 -0.41 2.91 0.41 -1.26 -5.11 118.70 117.94 1ykm s GLU 34 Ca 0.03 -1.32 -0.17 0.00 -0.41 0.00 0.00 54.97 53.11 1ykm s GLU 34 Cb -0.14 -1.81 0.02 0.00 -1.78 0.00 0.00 34.13 30.42 1ykm s GLU 34 CO -0.11 0.43 0.40 0.42 -0.49 0.00 0.00 175.26 175.91 1ykm s ILE 35 N -1.08 5.13 0.00 -1.63 1.01 -1.26 -5.03 121.20 118.34 1ykm s ILE 35 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1ykm s ILE 35 Cb -0.10 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ykm s ILE 35 CO 0.06 -0.37 0.00 1.87 0.00 0.00 0.00 174.94 176.50 1ykm n TRP 36 N 5.50 0.00 1.73 3.97 -0.00 -1.26 -4.56 117.44 122.81 1ykm n TRP 36 Ca -0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.50 1ykm n TRP 36 Cb 0.48 0.00 0.48 0.00 -0.00 0.00 0.00 31.31 32.27 1ykm n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykm n ASN 37 N 0.00 0.00 -4.26 5.87 6.94 -0.74 -2.60 115.26 120.47 1ykm n ASN 37 Ca 0.00 -1.22 -0.43 0.00 -0.02 0.00 0.00 54.58 52.91 1ykm n ASN 37 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1ykm n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykm s ARG 38 N -2.00 3.63 0.19 -3.83 3.52 -1.26 -1.03 118.95 118.16 1ykm s ARG 38 Ca 0.24 -2.92 0.03 0.00 -0.13 0.00 0.00 55.73 52.96 1ykm s ARG 38 Cb 0.11 -4.29 0.07 0.00 -1.56 0.00 0.00 34.95 29.27 1ykm s ARG 38 CO 0.19 -1.25 1.43 -0.07 -0.81 0.00 0.00 175.30 174.78 1ykm h LEU 39 N 6.92 0.24 -8.47 -0.88 4.07 -1.46 -3.45 115.31 112.27 1ykm h LEU 39 Ca 0.13 -0.18 -0.69 0.00 0.08 0.00 0.00 57.88 57.22 1ykm h LEU 39 Cb 0.92 -0.07 -0.32 0.00 1.08 0.00 0.00 40.66 42.28 1ykm h LEU 39 CO 0.86 0.94 -0.88 0.00 -1.08 0.00 0.00 178.44 178.28 1ykm s ALA 40 N -3.34 2.16 0.17 1.53 0.00 -1.20 -1.14 121.76 119.94 1ykm s ALA 40 Ca -0.03 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1ykm s ALA 40 Cb 0.11 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1ykm s ALA 40 CO 0.82 0.41 0.54 0.15 0.00 0.00 0.00 175.76 177.68 1ykm s LYS 41 N -0.13 3.91 0.37 0.00 1.02 -0.20 -4.83 119.74 119.88 1ykm s LYS 41 Ca -0.05 0.40 0.29 0.00 0.02 0.00 0.00 55.97 56.64 1ykm s LYS 41 Cb -0.14 -2.84 1.24 0.00 -0.52 0.00 0.00 37.83 35.57 1ykm s LYS 41 CO 0.04 0.43 1.25 -2.30 -0.92 0.00 0.00 175.35 173.85 1ykm n PRO 42 N 0.49 -0.02 -1.14 -1.68 -0.02 -1.26 -0.93 135.00 130.43 1ykm n PRO 42 Ca -0.03 0.98 -0.16 0.00 -2.02 0.00 0.00 63.50 62.27 1ykm n PRO 42 Cb 0.52 -1.99 0.24 0.00 -0.02 0.00 0.00 33.50 32.25 1ykm n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ykm n ASP 43 N -4.14 4.29 -4.81 2.55 5.75 -1.26 -4.96 116.55 113.96 1ykm n ASP 43 Ca 0.33 -3.43 -0.38 0.00 -0.01 0.00 0.00 54.79 51.30 1ykm n ASP 43 Cb 1.34 -0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 40.57 1ykm n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykm s ALA 44 N -3.16 3.56 0.45 2.12 0.00 -0.11 -5.05 121.76 119.57 1ykm s ALA 44 Ca 0.56 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 1ykm s ALA 44 Cb 0.46 -2.66 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1ykm s ALA 44 CO 0.12 0.39 1.30 -1.25 0.00 0.00 0.00 175.76 176.32 1ykm s PRO 45 N -1.34 3.73 0.00 0.00 0.04 -1.26 -4.90 135.00 131.27 1ykm s PRO 45 Ca 0.32 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1ykm s PRO 45 Cb -0.19 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1ykm s PRO 45 CO 0.20 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1ykm n GLY 46 N 0.63 1.00 3.62 0.56 0.00 -1.26 -4.52 105.19 105.22 1ykm n GLY 46 Ca 0.06 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1ykm n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 47 N -1.30 3.94 -0.25 1.61 2.12 -1.26 -4.95 118.70 118.60 1ykm s GLU 47 Ca 0.00 0.91 -0.29 0.00 0.36 0.00 0.00 54.97 55.95 1ykm s GLU 47 Cb 0.00 -3.81 -0.00 0.00 0.26 0.00 0.00 34.13 30.58 1ykm s GLU 47 CO 0.00 -1.09 1.28 -1.01 -0.54 0.00 0.00 175.26 173.91 1ykm s HIS 48 N 3.99 2.75 0.29 5.30 3.76 -1.26 -1.58 115.29 128.54 1ykm s HIS 48 Ca 0.47 0.93 0.11 0.00 -0.15 0.00 0.00 55.06 56.42 1ykm s HIS 48 Cb -0.11 -3.75 -0.05 0.00 1.11 0.00 0.00 32.58 29.78 1ykm s HIS 48 CO 0.22 -1.69 -0.17 0.96 -0.85 0.00 0.00 174.74 173.21 1ykm s ILE 49 N 4.05 2.45 -0.09 0.60 -4.36 -0.32 -4.52 121.20 119.01 1ykm s ILE 49 Ca 0.56 -2.35 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1ykm s ILE 49 Cb -0.18 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 1ykm s ILE 49 CO 0.20 -0.35 -0.19 -0.22 0.24 0.00 0.00 174.94 174.62 1ykm s LEU 50 N -3.54 2.42 -0.08 0.37 2.96 -0.34 -2.48 118.68 118.00 1ykm s LEU 50 Ca 0.31 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1ykm s LEU 50 Cb -0.03 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1ykm s LEU 50 CO 0.15 0.22 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.45 1ykm s LEU 51 N 0.02 2.38 0.05 -0.68 1.43 0.33 -1.17 118.68 121.05 1ykm s LEU 51 Ca -0.07 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1ykm s LEU 51 Cb -0.15 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1ykm s LEU 51 CO 0.05 0.24 0.16 -1.48 0.23 0.00 0.00 176.35 175.54 1ykm s LEU 52 N -0.11 1.55 -0.08 1.79 -0.00 -0.82 -0.66 118.68 120.34 1ykm s LEU 52 Ca -0.04 -0.51 -0.32 0.00 -0.00 0.00 0.00 54.13 53.27 1ykm s LEU 52 Cb -0.14 0.84 0.14 0.00 -0.00 0.00 0.00 46.19 47.03 1ykm s LEU 52 CO 0.04 -0.59 1.41 -0.83 -0.00 0.00 0.00 176.35 176.39 1ykm s GLY 53 N -2.31 -0.47 0.11 -3.48 0.00 -1.11 -0.89 107.32 99.18 1ykm s GLY 53 Ca -0.02 0.85 0.08 0.00 0.00 0.00 0.00 44.72 45.64 1ykm s GLY 53 CO -0.06 0.77 -0.21 1.20 0.00 0.00 0.00 173.10 174.81 1ykm s GLN 54 N -2.07 1.16 -0.20 2.90 -0.21 -1.26 -1.88 119.66 118.11 1ykm s GLN 54 Ca 0.16 -1.21 -0.04 0.00 0.02 0.00 0.00 55.36 54.29 1ykm s GLN 54 Cb 0.07 -1.41 -0.02 0.00 1.00 0.00 0.00 33.01 32.65 1ykm s GLN 54 CO -0.06 0.32 -0.03 0.08 -2.12 0.00 0.00 175.29 173.48 1ykm s VAL 55 N -1.30 3.67 0.02 1.09 1.01 -1.26 -1.67 120.40 121.96 1ykm s VAL 55 Ca 0.08 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1ykm s VAL 55 Cb -0.09 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1ykm s VAL 55 CO 0.05 0.44 -0.06 -0.31 0.00 0.00 0.00 175.10 175.22 1ykm s TYR 56 N 1.06 2.90 0.00 5.22 1.51 0.20 -0.48 117.35 127.76 1ykm s TYR 56 Ca 0.01 -0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1ykm s TYR 56 Cb -0.15 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1ykm s TYR 56 CO 0.01 0.40 0.00 -0.40 -1.11 0.00 0.00 175.55 174.44 1ykm n ASP 57 N 1.36 0.00 0.11 2.29 5.68 -0.41 -1.73 116.55 123.85 1ykm n ASP 57 Ca -0.15 -0.62 0.12 0.00 -0.50 0.00 0.00 54.79 53.64 1ykm n ASP 57 Cb 0.52 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.96 1ykm n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykm n GLY 58 N 5.00 -1.41 0.96 6.12 0.00 -1.26 -2.77 105.19 111.83 1ykm n GLY 58 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1ykm n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykm n ASN 59 N -2.19 3.04 0.00 1.61 3.02 -1.26 -4.70 115.26 114.79 1ykm n ASN 59 Ca 0.03 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1ykm n ASN 59 Cb 0.29 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1ykm n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykm n GLY 60 N 1.28 0.67 3.88 7.41 0.00 -1.12 -5.05 105.19 112.27 1ykm n GLY 60 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ykm n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykm s HIS 61 N -2.30 3.44 0.29 1.61 3.76 -1.26 -4.80 115.29 116.03 1ykm s HIS 61 Ca 0.00 0.79 -0.29 0.00 -0.15 0.00 0.00 55.06 55.41 1ykm s HIS 61 Cb 0.00 -2.19 -0.10 0.00 1.11 0.00 0.00 32.58 31.40 1ykm s HIS 61 CO 0.00 0.30 1.30 -0.51 -0.85 0.00 0.00 174.74 174.98 1ykm s LEU 62 N -2.82 4.43 -0.56 0.89 1.43 -1.26 -1.29 118.68 119.50 1ykm s LEU 62 Ca 0.46 2.58 -0.16 0.00 -1.03 0.00 0.00 54.13 55.98 1ykm s LEU 62 Cb -0.11 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.60 1ykm s LEU 62 CO 0.22 -0.51 0.55 -0.69 0.23 0.00 0.00 176.35 176.15 1ykm s VAL 63 N -0.75 5.16 -0.76 -1.59 1.01 0.37 -4.87 120.40 118.98 1ykm s VAL 63 Ca 0.51 -1.46 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1ykm s VAL 63 Cb -0.39 -4.37 0.49 0.00 0.00 0.00 0.00 36.38 32.11 1ykm s VAL 63 CO 0.47 -0.92 1.28 0.54 0.00 0.00 0.00 175.10 176.47 1ykm n ARG 64 N 5.38 3.21 -0.71 2.72 1.74 -1.26 -4.10 116.66 123.65 1ykm n ARG 64 Ca -0.12 -1.90 0.02 0.00 -0.77 0.00 0.00 57.85 55.08 1ykm n ARG 64 Cb 0.41 -1.88 0.02 0.00 -1.02 0.00 0.00 32.46 29.98 1ykm n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykm n ASP 65 N 0.45 0.45 -4.84 0.55 5.68 -1.22 -3.40 116.55 114.22 1ykm n ASP 65 Ca 0.17 -2.13 -0.32 0.00 -0.50 0.00 0.00 54.79 52.01 1ykm n ASP 65 Cb 0.77 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 40.49 1ykm n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykm s SER 66 N -1.42 6.31 -0.05 -1.12 1.04 -1.24 -4.57 113.70 112.66 1ykm s SER 66 Ca 0.11 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1ykm s SER 66 Cb 0.12 -2.51 0.02 0.00 0.10 0.00 0.00 66.02 63.76 1ykm s SER 66 CO -0.04 -0.81 -0.02 0.12 0.98 0.00 0.00 173.24 173.47 1ykm s PHE 67 N -2.71 0.62 0.00 5.02 5.36 0.80 -2.48 117.98 124.59 1ykm s PHE 67 Ca 0.59 -0.15 0.07 0.00 -0.96 0.00 0.00 56.93 56.48 1ykm s PHE 67 Cb -0.12 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.92 1ykm s PHE 67 CO 0.38 -0.20 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.22 1ykm s LEU 68 N 1.15 2.08 -0.08 6.12 1.02 -0.29 -0.24 118.68 128.44 1ykm s LEU 68 Ca -0.08 -0.42 0.05 0.00 0.02 0.00 0.00 54.13 53.70 1ykm s LEU 68 Cb -0.14 -1.05 -0.00 0.00 0.02 0.00 0.00 46.19 45.02 1ykm s LEU 68 CO -0.01 0.23 -0.24 -1.61 0.02 0.00 0.00 176.35 174.73 1ykm s GLU 69 N -0.70 2.83 0.03 1.70 2.02 -0.54 -1.47 118.70 122.57 1ykm s GLU 69 Ca 0.08 -0.89 0.07 0.00 0.02 0.00 0.00 54.97 54.25 1ykm s GLU 69 Cb -0.08 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 1ykm s GLU 69 CO -0.00 0.26 -0.18 0.14 0.02 0.00 0.00 175.26 175.50 1ykm s VAL 70 N 0.14 2.76 -0.10 2.63 -7.23 -0.27 -1.35 120.40 116.98 1ykm s VAL 70 Ca -0.13 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1ykm s VAL 70 Cb -0.16 -2.14 0.04 0.00 0.56 0.00 0.00 36.38 34.68 1ykm s VAL 70 CO 0.07 0.37 0.05 0.86 -0.31 0.00 0.00 175.10 176.14 1ykm s TRP 71 N -0.89 0.34 0.07 2.82 -0.11 -0.19 -2.54 118.94 118.44 1ykm s TRP 71 Ca 0.14 -0.10 -0.06 0.00 1.22 0.00 0.00 56.10 57.30 1ykm s TRP 71 Cb -0.10 -0.67 -0.02 0.00 -1.50 0.00 0.00 33.47 31.18 1ykm s TRP 71 CO 0.04 -0.35 0.10 1.14 -4.62 0.00 0.00 176.95 173.27 1ykm s GLN 72 N 2.08 0.76 0.64 5.86 -2.07 -0.69 -0.77 119.66 125.46 1ykm s GLN 72 Ca 0.04 -1.07 -0.05 0.00 -1.82 0.00 0.00 55.36 52.46 1ykm s GLN 72 Cb -0.14 0.29 0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1ykm s GLN 72 CO -0.06 -0.21 0.93 0.00 -1.32 0.00 0.00 175.29 174.64 1ykm s ALA 73 N -3.89 3.34 0.94 2.60 0.00 -1.26 -4.54 121.76 118.95 1ykm s ALA 73 Ca 0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1ykm s ALA 73 Cb 0.06 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1ykm s ALA 73 CO -0.10 -1.06 0.09 -0.40 0.00 0.00 0.00 175.76 174.29 1ykm n ASP 74 N -2.71 0.02 0.26 0.00 5.68 -0.05 -4.34 116.55 115.41 1ykm n ASP 74 Ca 0.07 -1.04 0.12 0.00 -0.50 0.00 0.00 54.79 53.45 1ykm n ASP 74 Cb 0.60 -0.07 0.73 0.00 -1.14 0.00 0.00 41.12 41.23 1ykm n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykm h ALA 75 N -1.82 1.32 -0.16 2.12 0.00 -1.80 0.20 119.26 119.13 1ykm h ALA 75 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ykm h ALA 75 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ykm h ALA 75 CO 0.02 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.50 1ykm n ASN 76 N -3.69 2.13 -0.99 0.00 3.02 -1.26 -3.98 115.26 110.50 1ykm n ASN 76 Ca -0.02 -1.75 -0.05 0.00 -0.03 0.00 0.00 54.58 52.73 1ykm n ASN 76 Cb 0.23 -0.10 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 1ykm n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykm n GLY 77 N 1.24 0.45 3.27 7.41 0.00 -0.85 -4.84 105.19 111.87 1ykm n GLY 77 Ca 0.17 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1ykm n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykm s GLU 78 N -4.93 2.14 -0.33 1.61 2.02 -1.26 -4.75 118.70 113.20 1ykm s GLU 78 Ca 0.09 -0.86 -0.21 0.00 0.02 0.00 0.00 54.97 54.00 1ykm s GLU 78 Cb -0.04 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1ykm s GLU 78 CO 0.11 0.46 0.69 0.71 0.02 0.00 0.00 175.26 177.25 1ykm s TYR 79 N -0.40 3.17 -0.89 1.61 1.51 -1.26 -0.87 117.35 120.22 1ykm s TYR 79 Ca 0.04 0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 56.47 1ykm s TYR 79 Cb -0.11 -3.16 0.14 0.00 -0.11 0.00 0.00 41.96 38.72 1ykm s TYR 79 CO 0.01 -0.59 1.04 -0.65 -1.11 0.00 0.00 175.55 174.24 1ykm s GLN 80 N 2.80 3.56 0.26 -0.62 -1.52 -1.26 -4.89 119.66 118.00 1ykm s GLN 80 Ca 0.27 -1.84 0.13 0.00 -1.95 0.00 0.00 55.36 51.97 1ykm s GLN 80 Cb -0.14 -4.78 0.26 0.00 -0.22 0.00 0.00 33.01 28.13 1ykm s GLN 80 CO 0.14 -1.68 1.54 0.38 -0.25 0.00 0.00 175.29 175.42 1ykm h ASP 81 N 8.68 0.00 -1.01 5.90 2.03 -1.98 -3.25 116.42 126.79 1ykm h ASP 81 Ca 0.12 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.93 1ykm h ASP 81 Cb 1.03 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.45 1ykm h ASP 81 CO 1.04 0.63 1.21 0.00 -1.03 0.00 0.00 179.24 181.09 1ykm s ALA 82 N -3.29 2.32 0.06 4.15 0.00 -1.26 -4.96 121.76 118.78 1ykm s ALA 82 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 51.96 49.71 1ykm s ALA 82 Cb 0.11 -4.53 -0.06 0.00 0.00 0.00 0.00 23.12 18.63 1ykm s ALA 82 CO 0.75 -4.05 1.35 -0.47 0.00 0.00 0.00 175.76 173.34 1ykm s TYR 83 N 6.90 3.14 -0.15 0.00 5.04 -1.26 -5.01 117.35 126.00 1ykm s TYR 83 Ca 0.55 0.98 -0.20 0.00 -2.44 0.00 0.00 57.07 55.96 1ykm s TYR 83 Cb -0.03 -3.61 0.05 0.00 0.35 0.00 0.00 41.96 38.72 1ykm s TYR 83 CO -0.06 -2.14 0.53 1.21 -1.34 0.00 0.00 175.55 173.75 1ykm s ASN 84 N 1.40 -0.52 0.17 4.32 3.84 -1.26 -5.06 114.94 117.83 1ykm s ASN 84 Ca 0.63 0.88 0.26 0.00 0.21 0.00 0.00 52.86 54.84 1ykm s ASN 84 Cb -0.33 0.90 0.91 0.00 -0.55 0.00 0.00 41.25 42.18 1ykm s ASN 84 CO 0.28 -0.29 1.79 0.18 -2.79 0.00 0.00 177.10 176.28 1ykm n LEU 85 N 2.27 0.61 0.15 3.21 4.77 -1.26 -3.40 117.00 123.35 1ykm n LEU 85 Ca -0.16 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1ykm n LEU 85 Cb 0.56 -0.39 0.18 0.00 -2.33 0.00 0.00 43.42 41.45 1ykm n LEU 85 CO 0.13 -0.18 0.58 -0.33 -1.33 0.00 0.00 177.39 176.26 1ykm h GLU 86 N 0.00 0.00 -7.08 3.23 5.08 -2.00 -3.47 114.58 110.34 1ykm h GLU 86 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1ykm h GLU 86 Cb 0.64 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.03 1ykm h GLU 86 CO 0.00 0.00 0.54 -0.80 -1.00 0.00 0.00 179.01 177.75 1ykm s ASN 87 N -5.36 5.02 0.19 1.42 0.01 -1.22 -4.93 114.94 110.07 1ykm s ASN 87 Ca 0.06 2.62 -0.05 0.00 -0.71 0.00 0.00 52.86 54.78 1ykm s ASN 87 Cb 0.09 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.22 1ykm s ASN 87 CO 0.69 -1.72 1.52 0.00 -1.51 0.00 0.00 177.10 176.07 1ykm h ALA 88 N 1.02 0.70 -3.73 0.60 0.00 -1.91 -3.45 119.26 112.49 1ykm h ALA 88 Ca -0.51 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 53.66 1ykm h ALA 88 Cb 1.31 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.71 1ykm h ALA 88 CO 0.55 0.67 -0.73 0.12 0.00 0.00 0.00 179.25 179.86 1ykm s PHE 89 N -4.19 0.12 -0.06 0.00 5.36 -1.26 -1.03 117.98 116.92 1ykm s PHE 89 Ca -0.08 -0.00 0.05 0.00 -0.96 0.00 0.00 56.93 55.93 1ykm s PHE 89 Cb 0.12 -0.11 -0.00 0.00 -0.34 0.00 0.00 43.02 42.68 1ykm s PHE 89 CO 0.85 -0.02 -0.21 -0.80 -1.46 0.00 0.00 175.22 173.58 1ykm s ASN 90 N 0.16 2.61 0.07 6.13 0.01 -0.29 -4.98 114.94 118.65 1ykm s ASN 90 Ca -0.01 -0.44 0.24 0.00 -0.71 0.00 0.00 52.86 51.93 1ykm s ASN 90 Cb -0.03 -0.90 0.95 0.00 0.41 0.00 0.00 41.25 41.68 1ykm s ASN 90 CO -0.00 0.17 1.74 -1.20 -1.51 0.00 0.00 177.10 176.29 1ykm n SER 91 N 3.26 0.24 -4.49 -1.22 7.64 -1.23 -4.74 113.62 113.08 1ykm n SER 91 Ca -0.19 0.54 -0.30 0.00 1.01 0.00 0.00 58.87 59.93 1ykm n SER 91 Cb 0.52 -0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 1ykm n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykm s PHE 92 N -3.06 2.57 0.06 1.43 5.36 -1.26 -1.71 117.98 121.37 1ykm s PHE 92 Ca 0.10 -0.25 -0.27 0.00 -0.96 0.00 0.00 56.93 55.56 1ykm s PHE 92 Cb 0.14 -1.40 0.09 0.00 -0.34 0.00 0.00 43.02 41.51 1ykm s PHE 92 CO 0.45 0.34 0.81 0.20 -1.46 0.00 0.00 175.22 175.56 1ykm s GLY 93 N -1.89 -0.48 0.01 13.12 0.00 -1.05 -4.82 107.32 112.21 1ykm s GLY 93 Ca 0.17 0.75 0.04 0.00 0.00 0.00 0.00 44.72 45.68 1ykm s GLY 93 CO 0.09 0.25 -0.12 0.50 0.00 0.00 0.00 173.10 173.81 1ykm s ARG 94 N -3.34 0.91 0.21 2.90 0.52 -1.07 -1.11 118.95 117.98 1ykm s ARG 94 Ca 0.05 -0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1ykm s ARG 94 Cb -0.01 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.54 1ykm s ARG 94 CO -0.09 0.23 0.25 -0.08 0.02 0.00 0.00 175.30 175.64 1ykm s THR 95 N -0.57 0.00 0.22 0.02 -1.32 -0.54 -1.80 115.64 111.66 1ykm s THR 95 Ca 0.03 -1.78 -0.22 0.00 -1.21 0.00 0.00 61.69 58.51 1ykm s THR 95 Cb -0.06 -2.37 0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1ykm s THR 95 CO 0.00 -0.02 0.67 0.00 -2.21 0.00 0.00 174.62 173.06 1ykm s ALA 96 N -4.10 -1.39 -0.15 11.08 0.00 -1.26 -1.13 121.76 124.80 1ykm s ALA 96 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1ykm s ALA 96 Cb 0.04 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1ykm s ALA 96 CO 0.10 -0.92 -0.12 0.95 0.00 0.00 0.00 175.76 175.78 1ykm s THR 97 N -3.84 3.07 0.51 0.00 -4.23 -1.04 -4.15 115.64 105.96 1ykm s THR 97 Ca 0.06 -0.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1ykm s THR 97 Cb -0.04 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1ykm s THR 97 CO -0.02 0.51 0.20 0.42 -0.54 0.00 0.00 174.62 175.19 1ykm s THR 98 N 0.57 1.54 0.06 3.99 -4.23 0.11 -3.39 115.64 114.28 1ykm s THR 98 Ca -0.08 -1.74 0.27 0.00 -1.18 0.00 0.00 61.69 58.97 1ykm s THR 98 Cb -0.15 -2.28 0.30 0.00 1.34 0.00 0.00 72.50 71.71 1ykm s THR 98 CO 0.03 0.00 1.86 -0.26 -0.54 0.00 0.00 174.62 175.71 1ykm h PHE 99 N 1.10 0.00 0.12 3.99 0.04 -1.94 -2.80 116.94 117.45 1ykm h PHE 99 Ca -0.41 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.11 1ykm h PHE 99 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1ykm h PHE 99 CO 1.16 0.12 -1.27 -0.44 -0.60 0.00 0.00 178.31 177.28 1ykm h ASP 100 N 0.00 0.38 -3.77 2.17 3.32 -1.96 -3.42 116.42 113.14 1ykm h ASP 100 Ca -0.00 -0.86 -0.63 0.00 0.02 0.00 0.00 57.03 55.55 1ykm h ASP 100 Cb 0.70 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 39.72 1ykm h ASP 100 CO 0.02 1.56 -0.70 0.00 -1.72 0.00 0.00 179.24 178.39 1ykm s ALA 101 N -2.46 2.63 -1.96 3.45 0.00 -1.17 -4.98 121.76 117.27 1ykm s ALA 101 Ca -0.19 -2.64 0.00 0.00 0.00 0.00 0.00 51.96 49.13 1ykm s ALA 101 Cb 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1ykm s ALA 101 CO 0.77 -1.87 0.80 0.41 0.00 0.00 0.00 175.76 175.87 1ykm n GLY 102 N 3.84 -0.74 3.03 0.00 0.00 -1.07 0.07 105.19 110.32 1ykm n GLY 102 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1ykm n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 103 N -1.96 1.96 0.27 1.61 2.12 -1.26 -4.60 118.70 116.84 1ykm s GLU 103 Ca 0.00 -0.47 -0.20 0.00 0.36 0.00 0.00 54.97 54.65 1ykm s GLU 103 Cb 0.00 -1.70 -0.09 0.00 0.26 0.00 0.00 34.13 32.60 1ykm s GLU 103 CO 0.00 -0.06 0.79 1.67 -0.54 0.00 0.00 175.26 177.11 1ykm s TRP 104 N 0.99 3.60 0.07 5.30 1.48 -0.79 -4.81 118.94 124.79 1ykm s TRP 104 Ca -0.07 1.47 0.07 0.00 -1.06 0.00 0.00 56.10 56.50 1ykm s TRP 104 Cb -0.15 -2.69 -0.03 0.00 -1.16 0.00 0.00 33.47 29.44 1ykm s TRP 104 CO -0.01 0.25 -0.19 0.95 -4.06 0.00 0.00 176.95 173.89 1ykm s THR 105 N -1.65 1.55 -0.07 0.66 -4.23 -1.26 -2.76 115.64 107.88 1ykm s THR 105 Ca 0.47 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1ykm s THR 105 Cb -0.16 -1.39 0.04 0.00 1.34 0.00 0.00 72.50 72.33 1ykm s THR 105 CO 0.21 0.03 0.15 -0.22 -0.54 0.00 0.00 174.62 174.24 1ykm s LEU 106 N -1.52 0.54 -0.32 4.79 2.96 0.17 -4.82 118.68 120.47 1ykm s LEU 106 Ca 0.05 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1ykm s LEU 106 Cb -0.09 0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.95 1ykm s LEU 106 CO 0.03 -0.17 0.12 -1.00 -1.32 0.00 0.00 176.35 174.01 1ykm s HIS 107 N 1.44 3.19 0.05 5.38 3.76 -0.20 -0.51 115.29 128.40 1ykm s HIS 107 Ca -0.06 -1.00 -0.01 0.00 -0.15 0.00 0.00 55.06 53.84 1ykm s HIS 107 Cb -0.12 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.26 1ykm s HIS 107 CO -0.06 -0.60 0.07 -2.37 -0.85 0.00 0.00 174.74 170.93 1ykm n THR 108 N 4.90 0.00 -4.25 1.30 5.66 -1.03 -1.32 114.28 119.54 1ykm n THR 108 Ca -0.13 -0.21 -0.23 0.00 -3.05 0.00 0.00 64.05 60.42 1ykm n THR 108 Cb 0.47 0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.32 1ykm n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykm s VAL 109 N -2.55 3.20 -0.07 1.08 -7.23 -1.26 -1.17 120.40 112.39 1ykm s VAL 109 Ca 0.03 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 1ykm s VAL 109 Cb -0.00 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 1ykm s VAL 109 CO 0.02 -0.29 1.22 -0.75 -0.31 0.00 0.00 175.10 174.99 1ykm s LYS 110 N -3.73 4.33 0.62 4.82 2.20 -0.61 -4.84 119.74 122.53 1ykm s LYS 110 Ca 0.34 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.46 1ykm s LYS 110 Cb -0.04 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1ykm s LYS 110 CO 0.21 -0.50 1.15 -1.25 -0.36 0.00 0.00 175.35 174.60 1ykm s PRO 111 N 2.47 2.89 0.81 4.03 0.04 -1.26 -4.14 135.00 139.84 1ykm s PRO 111 Ca 0.56 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 1ykm s PRO 111 Cb -0.24 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.51 1ykm s PRO 111 CO 0.21 -1.22 1.12 0.20 0.04 0.00 0.00 177.00 177.34 1ykm s GLY 112 N -2.04 1.77 0.05 0.56 0.00 0.64 -4.75 107.32 103.55 1ykm s GLY 112 Ca 0.72 -1.57 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 1ykm s GLY 112 CO 0.36 -0.92 0.89 0.14 0.00 0.00 0.00 173.10 173.58 1ykm s VAL 113 N -3.42 4.71 0.04 1.40 1.01 -1.26 -4.62 120.40 118.25 1ykm s VAL 113 Ca 0.69 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.64 1ykm s VAL 113 Cb -0.04 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1ykm s VAL 113 CO 0.48 0.28 -0.21 0.68 0.00 0.00 0.00 175.10 176.33 1ykm s VAL 114 N 0.34 1.68 0.27 2.92 -7.23 -1.26 -4.53 120.40 112.59 1ykm s VAL 114 Ca 0.45 -1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 59.31 1ykm s VAL 114 Cb -0.21 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.19 1ykm s VAL 114 CO 0.26 0.24 0.68 0.20 -0.31 0.00 0.00 175.10 176.17 1ykm s ASN 115 N -1.09 6.78 0.91 4.85 -0.87 -1.26 -1.36 114.94 122.91 1ykm s ASN 115 Ca 0.08 1.20 -0.05 0.00 -1.57 0.00 0.00 52.86 52.51 1ykm s ASN 115 Cb -0.09 -2.34 0.08 0.00 -0.02 0.00 0.00 41.25 38.88 1ykm s ASN 115 CO 0.01 -0.12 0.47 -0.46 -2.57 0.00 0.00 177.10 174.43 1ykm n ASN 116 N -0.08 0.12 -0.14 -1.22 6.94 -0.38 -4.90 115.26 115.59 1ykm n ASN 116 Ca 0.01 -1.22 0.01 0.00 -0.02 0.00 0.00 54.58 53.37 1ykm n ASN 116 Cb 0.53 -0.35 0.29 0.00 -2.36 0.00 0.00 39.78 37.89 1ykm n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykm h ALA 117 N -1.68 1.51 0.00 -2.53 0.00 -1.99 -2.44 119.26 112.13 1ykm h ALA 117 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ykm h ALA 117 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ykm h ALA 117 CO 0.11 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1ykm n ALA 118 N -2.44 2.22 -0.03 0.00 0.00 -1.26 -4.91 120.51 114.08 1ykm n ALA 118 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ykm n ALA 118 Cb 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1ykm n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykm n GLY 119 N 1.22 0.45 3.71 0.00 0.00 -0.92 -5.08 105.19 104.58 1ykm n GLY 119 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1ykm n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykm s VAL 120 N -2.06 4.90 0.17 1.61 1.01 -1.26 -4.73 120.40 120.04 1ykm s VAL 120 Ca 0.00 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.63 1ykm s VAL 120 Cb 0.00 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1ykm s VAL 120 CO 0.00 0.17 1.35 -2.84 0.00 0.00 0.00 175.10 173.78 1ykm s PRO 121 N 1.00 4.36 0.13 2.72 0.02 -1.26 -1.25 135.00 140.71 1ykm s PRO 121 Ca 0.49 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 1ykm s PRO 121 Cb -0.20 -3.21 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 1ykm s PRO 121 CO 0.26 -0.33 0.33 -1.64 -0.33 0.00 0.00 177.00 175.30 1ykm s MET 122 N 0.28 3.55 0.71 5.54 -1.94 -0.46 -4.51 119.30 122.46 1ykm s MET 122 Ca 0.59 -0.25 -0.14 0.00 -1.71 0.00 0.00 55.69 54.19 1ykm s MET 122 Cb -0.37 -2.90 0.03 0.00 2.01 0.00 0.00 34.83 33.60 1ykm s MET 122 CO 0.36 0.49 1.12 0.00 -0.01 0.00 0.00 175.02 176.98 1ykm s ALA 123 N -1.66 2.33 -0.01 3.03 0.00 -1.26 -4.00 121.76 120.19 1ykm s ALA 123 Ca 0.39 0.52 -0.33 0.00 0.00 0.00 0.00 51.96 52.53 1ykm s ALA 123 Cb -0.12 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1ykm s ALA 123 CO 0.26 -1.54 1.86 -2.30 0.00 0.00 0.00 175.76 174.05 1ykm n PRO 124 N -2.82 2.39 -3.99 0.00 -0.02 -1.26 -4.84 135.00 124.46 1ykm n PRO 124 Ca 0.10 0.87 -0.08 0.00 -2.02 0.00 0.00 63.50 62.38 1ykm n PRO 124 Cb 0.52 -2.74 -0.09 0.00 -0.02 0.00 0.00 33.50 31.17 1ykm n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykm s HIS 125 N 3.63 0.34 -0.16 6.00 -3.43 -1.26 -4.32 115.29 116.10 1ykm s HIS 125 Ca 0.89 -0.80 0.01 0.00 -0.80 0.00 0.00 55.06 54.36 1ykm s HIS 125 Cb -0.61 -0.24 0.02 0.00 -1.43 0.00 0.00 32.58 30.31 1ykm s HIS 125 CO 0.46 -0.41 -0.17 0.42 -2.00 0.00 0.00 174.74 173.04 1ykm s ILE 126 N -3.51 1.80 -0.08 -5.38 1.01 -0.89 -4.57 121.20 109.58 1ykm s ILE 126 Ca 0.03 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1ykm s ILE 126 Cb 0.04 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1ykm s ILE 126 CO -0.09 0.50 0.96 0.20 0.00 0.00 0.00 174.94 176.51 1ykm s ASN 127 N 1.31 7.23 -0.01 3.58 0.01 0.05 -1.10 114.94 126.00 1ykm s ASN 127 Ca 0.03 1.50 0.08 0.00 -0.71 0.00 0.00 52.86 53.76 1ykm s ASN 127 Cb -0.13 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 1ykm s ASN 127 CO -0.10 -0.38 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.22 1ykm s ILE 128 N 1.71 2.06 -0.16 0.60 1.01 -0.29 -1.03 121.20 125.11 1ykm s ILE 128 Ca 0.47 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ykm s ILE 128 Cb -0.19 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1ykm s ILE 128 CO 0.20 0.54 -0.17 -0.44 0.00 0.00 0.00 174.94 175.07 1ykm s SER 129 N -0.74 2.86 -0.21 3.58 0.01 -0.46 -1.05 113.70 117.70 1ykm s SER 129 Ca 0.10 -0.55 -0.07 0.00 1.31 0.00 0.00 55.95 56.74 1ykm s SER 129 Cb -0.10 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 1ykm s SER 129 CO -0.00 -0.03 0.06 -0.22 0.41 0.00 0.00 173.24 173.46 1ykm s LEU 130 N 1.36 3.63 0.06 2.44 2.96 0.42 -1.47 118.68 128.08 1ykm s LEU 130 Ca 0.04 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1ykm s LEU 130 Cb -0.13 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1ykm s LEU 130 CO -0.11 0.08 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.42 1ykm s PHE 131 N 0.90 1.94 -0.03 5.38 0.40 0.67 -2.12 117.98 125.12 1ykm s PHE 131 Ca 0.04 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1ykm s PHE 131 Cb -0.14 -1.13 0.12 0.00 0.51 0.00 0.00 43.02 42.38 1ykm s PHE 131 CO 0.03 0.14 1.31 0.00 0.70 0.00 0.00 175.22 177.40 1ykm s ALA 132 N -0.89 -2.33 0.30 5.36 0.00 -1.26 -0.14 121.76 122.81 1ykm s ALA 132 Ca 0.09 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1ykm s ALA 132 Cb -0.09 0.44 -0.10 0.00 0.00 0.00 0.00 23.12 23.37 1ykm s ALA 132 CO 0.03 -1.07 1.12 -0.98 0.00 0.00 0.00 175.76 174.85 1ykm s ARG 133 N -2.28 4.54 0.00 0.00 1.70 -1.26 -2.59 118.95 119.06 1ykm s ARG 133 Ca 0.17 1.82 0.00 0.00 -0.47 0.00 0.00 55.73 57.25 1ykm s ARG 133 Cb 0.04 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 1ykm s ARG 133 CO -0.04 0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.70 1ykm n GLY 134 N 1.04 1.46 3.18 3.88 0.00 -1.26 -4.97 105.19 108.52 1ykm n GLY 134 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ykm n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykm s ILE 135 N -2.74 3.85 0.11 -0.61 1.01 -1.07 -4.98 121.20 116.77 1ykm s ILE 135 Ca 0.00 -1.84 -0.19 0.00 0.00 0.00 0.00 60.65 58.62 1ykm s ILE 135 Cb 0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 1ykm s ILE 135 CO 0.00 -0.71 1.67 0.78 0.00 0.00 0.00 174.94 176.68 1ykm h ASN 136 N 8.29 0.36 -3.79 3.58 2.35 -1.89 -3.37 115.58 121.11 1ykm h ASN 136 Ca -0.18 -0.14 -0.54 0.00 -0.55 0.00 0.00 56.30 54.89 1ykm h ASN 136 Cb 1.06 -0.09 -0.32 0.00 0.05 0.00 0.00 38.32 39.03 1ykm h ASN 136 CO 0.79 0.40 -0.83 -0.51 -1.65 0.00 0.00 177.43 175.63 1ykm s ILE 137 N -5.63 1.29 0.53 2.81 2.07 -1.26 -3.17 121.20 117.83 1ykm s ILE 137 Ca -0.13 -0.63 -0.21 0.00 -1.41 0.00 0.00 60.65 58.27 1ykm s ILE 137 Cb 0.08 -1.12 -0.07 0.00 0.13 0.00 0.00 42.46 41.48 1ykm s ILE 137 CO 0.72 0.38 0.99 0.00 -1.91 0.00 0.00 174.94 175.12 1ykm n HIS 138 N 3.29 1.01 -3.64 3.50 1.44 -1.26 -5.00 115.22 114.56 1ykm n HIS 138 Ca -0.19 0.48 -0.36 0.00 -2.01 0.00 0.00 57.72 55.63 1ykm n HIS 138 Cb 0.53 -2.19 -0.07 0.00 0.12 0.00 0.00 29.99 28.39 1ykm n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykm s LEU 139 N -1.43 4.30 -0.15 2.39 1.43 -0.90 -4.90 118.68 119.41 1ykm s LEU 139 Ca 0.70 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 1ykm s LEU 139 Cb -0.47 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1ykm s LEU 139 CO 0.52 0.21 0.07 -1.00 0.23 0.00 0.00 176.35 176.37 1ykm s HIS 140 N -0.07 3.30 0.32 0.29 3.76 -1.26 -0.44 115.29 121.20 1ykm s HIS 140 Ca 0.15 0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 55.19 1ykm s HIS 140 Cb -0.13 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.58 1ykm s HIS 140 CO 0.04 0.35 0.50 -0.08 -0.85 0.00 0.00 174.74 174.70 1ykm s THR 141 N -0.19 0.00 0.04 1.30 -1.32 -0.21 -0.09 115.64 115.16 1ykm s THR 141 Ca 0.08 -1.48 0.04 0.00 -1.21 0.00 0.00 61.69 59.12 1ykm s THR 141 Cb -0.12 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.30 1ykm s THR 141 CO 0.01 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.17 1ykm s ARG 142 N -3.26 0.83 -0.23 7.08 0.52 -1.26 -1.13 118.95 121.50 1ykm s ARG 142 Ca 0.27 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1ykm s ARG 142 Cb -0.01 -0.81 -0.02 0.00 0.52 0.00 0.00 34.95 34.64 1ykm s ARG 142 CO 0.16 0.20 -0.00 -1.17 0.02 0.00 0.00 175.30 174.50 1ykm s LEU 143 N -1.12 3.10 0.33 2.53 0.20 -0.26 -4.73 118.68 118.71 1ykm s LEU 143 Ca -0.00 -0.32 0.09 0.00 0.69 0.00 0.00 54.13 54.59 1ykm s LEU 143 Cb -0.08 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1ykm s LEU 143 CO 0.01 -0.02 0.09 -0.31 -0.29 0.00 0.00 176.35 175.83 1ykm s TYR 144 N 1.51 2.68 -0.07 5.38 1.51 0.78 -2.11 117.35 127.03 1ykm s TYR 144 Ca 0.06 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1ykm s TYR 144 Cb -0.15 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1ykm s TYR 144 CO -0.01 0.42 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.69 1ykm s PHE 145 N -2.42 2.85 -0.59 2.71 0.40 -1.26 0.44 117.98 120.10 1ykm s PHE 145 Ca 0.36 -0.10 0.23 0.00 -0.60 0.00 0.00 56.93 56.82 1ykm s PHE 145 Cb -0.03 -1.70 0.92 0.00 0.51 0.00 0.00 43.02 42.72 1ykm s PHE 145 CO 0.22 0.23 1.70 -0.40 0.70 0.00 0.00 175.22 177.66 1ykm n ASP 146 N 2.40 0.59 -0.91 1.36 5.75 -1.02 -2.74 116.55 121.97 1ykm n ASP 146 Ca -0.18 0.63 0.10 0.00 -0.01 0.00 0.00 54.79 55.33 1ykm n ASP 146 Cb 0.53 -0.76 0.26 0.00 -1.03 0.00 0.00 41.12 40.12 1ykm n ASP 146 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ykm n ASP 147 N -2.14 2.69 -1.37 -1.12 5.75 -1.26 -3.98 116.55 115.12 1ykm n ASP 147 Ca 0.03 -1.93 -0.10 0.00 -0.01 0.00 0.00 54.79 52.78 1ykm n ASP 147 Cb 0.26 -0.27 0.12 0.00 -1.03 0.00 0.00 41.12 40.20 1ykm n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykm n GLU 148 N 0.97 2.53 -0.33 0.11 -0.58 -1.11 -4.87 120.64 117.37 1ykm n GLU 148 Ca 0.18 -3.65 0.20 0.00 -0.42 0.00 0.00 57.16 53.46 1ykm n GLU 148 Cb 0.45 -1.96 0.45 0.00 -0.57 0.00 0.00 31.44 29.81 1ykm n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykm h ALA 149 N 1.54 2.02 -0.51 0.62 0.00 -1.76 -0.82 119.26 120.36 1ykm h ALA 149 Ca 0.22 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1ykm h ALA 149 Cb 1.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1ykm h ALA 149 CO 0.46 -0.45 -0.18 1.96 0.00 0.00 0.00 179.25 181.03 1ykm h GLN 150 N 0.49 1.02 0.00 0.00 4.20 -1.95 -2.75 115.11 116.12 1ykm h GLN 150 Ca 0.61 -0.42 -0.19 0.00 0.06 0.00 0.00 58.65 58.71 1ykm h GLN 150 Cb 1.36 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1ykm h GLN 150 CO -0.37 1.10 -0.91 0.00 -0.67 0.00 0.00 178.83 177.98 1ykm h ALA 151 N 0.89 0.46 -0.21 3.87 0.00 -1.76 -3.29 119.26 119.22 1ykm h ALA 151 Ca 0.12 -0.83 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1ykm h ALA 151 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ykm h ALA 151 CO 0.06 1.14 -0.28 -0.91 0.00 0.00 0.00 179.25 179.27 1ykm h ASN 152 N 0.00 0.40 1.55 0.00 2.35 -1.11 -1.66 115.58 117.11 1ykm h ASN 152 Ca -0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ykm h ASN 152 Cb 1.65 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.91 1ykm h ASN 152 CO 0.12 0.67 0.00 0.00 -1.65 0.00 0.00 177.43 176.57 1ykm h ALA 153 N 1.36 1.00 0.00 -0.83 0.00 -1.57 -3.24 119.26 115.98 1ykm h ALA 153 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ykm h ALA 153 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ykm h ALA 153 CO 0.05 0.00 -1.13 1.63 0.00 0.00 0.00 179.25 179.80 1ykm n LYS 154 N -2.59 0.49 -1.83 0.00 4.76 -1.02 -4.95 118.16 113.01 1ykm n LYS 154 Ca 0.04 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1ykm n LYS 154 Cb 0.44 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1ykm n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykm h PRO 156 N 8.75 0.00 0.13 0.00 0.13 -1.92 -2.17 132.00 136.92 1ykm h PRO 156 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 1ykm h PRO 156 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ykm h PRO 156 CO 0.94 0.00 -1.68 0.28 -0.23 0.00 0.00 178.00 177.31 1ykm h VAL 157 N 0.00 0.87 0.00 1.56 2.07 -1.95 -3.32 116.25 115.47 1ykm h VAL 157 Ca 0.00 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.05 1ykm h VAL 157 Cb 0.42 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1ykm h VAL 157 CO 0.00 0.78 -0.35 0.25 0.02 0.00 0.00 177.57 178.27 1ykm h LEU 158 N -0.13 0.00 -0.19 2.57 5.85 -1.88 -2.66 115.31 118.87 1ykm h LEU 158 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1ykm h LEU 158 Cb 1.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1ykm h LEU 158 CO 0.08 0.35 -0.01 0.59 -0.34 0.00 0.00 178.44 179.11 1ykm n ASN 159 N -3.67 0.31 0.08 1.25 3.02 -0.82 -3.24 115.26 112.18 1ykm n ASN 159 Ca -0.01 -0.93 0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1ykm n ASN 159 Cb 0.45 -0.04 0.22 0.00 -0.61 0.00 0.00 39.78 39.80 1ykm n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykm h LEU 160 N 0.46 0.00 -8.71 3.41 3.38 -1.57 -3.43 115.31 108.85 1ykm h LEU 160 Ca 0.00 -0.15 -0.59 0.00 0.09 0.00 0.00 57.88 57.23 1ykm h LEU 160 Cb 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1ykm h LEU 160 CO 0.00 0.08 0.70 -0.63 0.09 0.00 0.00 178.44 178.68 1ykm s ILE 161 N -3.16 4.40 0.19 1.22 1.01 -1.20 -4.95 121.20 118.71 1ykm s ILE 161 Ca 0.07 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 61.50 1ykm s ILE 161 Cb 0.13 -4.48 0.15 0.00 0.01 0.00 0.00 42.46 38.27 1ykm s ILE 161 CO 0.69 -0.85 1.59 -0.33 0.00 0.00 0.00 174.94 176.05 1ykm h GLU 162 N 9.04 -0.13 -5.29 2.79 5.08 -1.90 -3.41 114.58 120.75 1ykm h GLU 162 Ca -0.24 0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.51 1ykm h GLU 162 Cb 1.07 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 1ykm h GLU 162 CO 1.05 -0.09 -0.10 -0.65 -1.00 0.00 0.00 179.01 178.23 1ykm s GLN 163 N -6.04 4.06 0.55 2.33 -1.52 -1.26 -4.99 119.66 112.79 1ykm s GLN 163 Ca -0.14 0.23 0.28 0.00 -1.95 0.00 0.00 55.36 53.77 1ykm s GLN 163 Cb 0.17 -3.65 1.46 0.00 -0.22 0.00 0.00 33.01 30.77 1ykm s GLN 163 CO 0.70 -0.31 1.96 -1.35 -0.25 0.00 0.00 175.29 176.04 1ykm h PRO 164 N 8.03 0.00 -0.03 2.91 0.11 -1.98 -2.17 132.00 138.86 1ykm h PRO 164 Ca -0.30 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 1ykm h PRO 164 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1ykm h PRO 164 CO 0.69 0.00 -0.38 1.96 -0.21 0.00 0.00 178.00 180.06 1ykm h GLN 165 N 0.00 0.06 0.00 1.05 7.50 -1.96 -2.79 115.11 118.97 1ykm h GLN 165 Ca 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.37 1ykm h GLN 165 Cb 1.13 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.66 1ykm h GLN 165 CO -0.00 0.43 -0.07 0.00 -1.50 0.00 0.00 178.83 177.69 1ykm h ARG 166 N 0.05 0.00 0.00 1.46 3.08 -1.79 -3.23 114.38 113.95 1ykm h ARG 166 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1ykm h ARG 166 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1ykm h ARG 166 CO 0.05 0.07 -0.44 0.00 -1.07 0.00 0.00 179.97 178.58 1ykm h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.53 -3.04 114.38 112.93 1ykm h ARG 167 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1ykm h ARG 167 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1ykm h ARG 167 CO 0.01 0.44 -0.13 0.93 -1.07 0.00 0.00 179.97 180.15 1ykm h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.61 -2.72 114.58 115.37 1ykm h GLU 168 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ykm h GLU 168 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1ykm h GLU 168 CO 0.06 0.13 -0.17 1.79 -1.00 0.00 0.00 179.01 179.81 1ykm h THR 169 N 0.00 0.55 -0.01 1.13 1.35 -1.71 -2.60 112.91 111.63 1ykm h THR 169 Ca -0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1ykm h THR 169 Cb 0.41 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1ykm h THR 169 CO 0.02 0.17 -0.13 0.18 -0.25 0.00 0.00 175.52 175.51 1ykm n LEU 170 N -3.50 1.27 -4.62 3.87 4.77 -1.03 -4.85 117.00 112.91 1ykm n LEU 170 Ca -0.01 -0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.21 1ykm n LEU 170 Cb 0.33 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1ykm n LEU 170 CO 0.32 0.22 -0.10 -0.63 -1.33 0.00 0.00 177.39 175.86 1ykm s ILE 171 N -2.26 5.29 0.02 -0.08 1.01 -0.98 -0.16 121.20 124.04 1ykm s ILE 171 Ca 0.31 0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.99 1ykm s ILE 171 Cb 0.20 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1ykm s ILE 171 CO 0.43 0.25 0.79 0.00 0.00 0.00 0.00 174.94 176.42 1ykm s ALA 172 N 1.62 3.33 -0.03 9.38 0.00 0.17 -4.91 121.76 131.32 1ykm s ALA 172 Ca 0.10 0.30 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 1ykm s ALA 172 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1ykm s ALA 172 CO 0.09 -0.01 0.82 0.15 0.00 0.00 0.00 175.76 176.81 1ykm s LYS 173 N 0.25 4.50 0.11 0.00 -0.14 -0.63 -2.42 119.74 121.40 1ykm s LYS 173 Ca 0.41 1.12 -0.30 0.00 -1.36 0.00 0.00 55.97 55.83 1ykm s LYS 173 Cb -0.20 -3.44 -0.06 0.00 -1.68 0.00 0.00 37.83 32.44 1ykm s LYS 173 CO 0.23 0.04 1.10 0.50 -0.76 0.00 0.00 175.35 176.46 1ykm s ARG 174 N 0.80 4.54 0.36 1.68 3.52 -1.26 -0.49 118.95 128.10 1ykm s ARG 174 Ca 0.43 1.67 -0.01 0.00 -0.13 0.00 0.00 55.73 57.69 1ykm s ARG 174 Cb -0.19 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1ykm s ARG 174 CO 0.23 -0.04 0.48 0.00 -0.81 0.00 0.00 175.30 175.16 1ykm s GLU 176 N -2.87 1.08 -0.26 0.00 2.02 -1.26 -1.58 118.70 115.83 1ykm s GLU 176 Ca 0.31 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.21 1ykm s GLU 176 Cb -0.01 -1.28 0.04 0.00 0.10 0.00 0.00 34.13 32.98 1ykm s GLU 176 CO 0.22 -0.28 -0.07 0.08 0.02 0.00 0.00 175.26 175.23 1ykm s VAL 177 N 1.82 2.71 -1.48 2.63 1.01 -1.00 -4.72 120.40 121.37 1ykm s VAL 177 Ca 0.05 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.75 1ykm s VAL 177 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1ykm s VAL 177 CO -0.07 0.12 0.86 0.47 0.00 0.00 0.00 175.10 176.47 1ykm n ASP 178 N 4.61 -6.18 0.00 3.32 8.00 -1.26 -2.54 116.55 122.50 1ykm n ASP 178 Ca -0.16 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.94 1ykm n ASP 178 Cb 0.45 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 1ykm n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykm n GLY 179 N -1.73 3.04 3.76 0.44 0.00 -1.26 -5.00 105.19 104.44 1ykm n GLY 179 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1ykm n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykm s LYS 180 N -0.19 4.77 -0.03 1.61 2.47 -1.05 -5.01 119.74 122.30 1ykm s LYS 180 Ca 0.00 1.53 -0.30 0.00 -1.56 0.00 0.00 55.97 55.64 1ykm s LYS 180 Cb 0.00 -3.19 -0.05 0.00 -1.46 0.00 0.00 37.83 33.13 1ykm s LYS 180 CO 0.00 0.42 1.49 0.99 0.16 0.00 0.00 175.35 178.40 1ykm s THR 181 N -1.24 3.67 0.13 3.43 2.01 -1.26 -2.37 115.64 120.01 1ykm s THR 181 Ca 0.43 0.97 0.06 0.00 0.31 0.00 0.00 61.69 63.46 1ykm s THR 181 Cb -0.26 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1ykm s THR 181 CO 0.33 -0.04 -0.13 0.00 -0.69 0.00 0.00 174.62 174.08 1ykm s ALA 182 N 3.05 1.54 -0.05 7.40 0.00 -0.62 -1.19 121.76 131.90 1ykm s ALA 182 Ca 0.67 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1ykm s ALA 182 Cb -0.32 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1ykm s ALA 182 CO 0.26 0.07 -0.07 0.71 0.00 0.00 0.00 175.76 176.73 1ykm s TYR 183 N -2.42 0.94 -0.21 0.00 1.51 -0.32 -1.09 117.35 115.76 1ykm s TYR 183 Ca 0.12 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.79 1ykm s TYR 183 Cb -0.03 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 41.01 1ykm s TYR 183 CO 0.03 -0.20 0.13 0.50 -1.11 0.00 0.00 175.55 174.90 1ykm s ARG 184 N 0.74 4.10 -0.27 -0.62 3.52 0.35 -1.95 118.95 124.82 1ykm s ARG 184 Ca -0.12 -0.27 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1ykm s ARG 184 Cb -0.14 -3.43 0.09 0.00 -1.56 0.00 0.00 34.95 29.90 1ykm s ARG 184 CO 0.01 0.19 0.08 0.12 -0.81 0.00 0.00 175.30 174.90 1ykm s PHE 185 N 0.66 1.22 -0.07 5.12 5.36 -0.06 -1.60 117.98 128.62 1ykm s PHE 185 Ca 0.07 -1.29 -0.13 0.00 -0.96 0.00 0.00 56.93 54.62 1ykm s PHE 185 Cb -0.12 -1.33 -0.05 0.00 -0.34 0.00 0.00 43.02 41.17 1ykm s PHE 185 CO 0.01 -0.78 0.33 -0.51 -1.46 0.00 0.00 175.22 172.81 1ykm s ASP 186 N 1.79 6.64 -0.19 6.13 1.01 -1.26 -4.05 116.67 126.73 1ykm s ASP 186 Ca 0.06 0.76 -0.05 0.00 0.71 0.00 0.00 52.55 54.03 1ykm s ASP 186 Cb -0.17 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1ykm s ASP 186 CO -0.22 0.28 -0.00 -0.63 0.21 0.00 0.00 175.17 174.81 1ykm s ILE 187 N -0.64 4.02 -0.35 0.77 1.01 -0.67 -4.97 121.20 120.37 1ykm s ILE 187 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1ykm s ILE 187 Cb -0.15 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.59 1ykm s ILE 187 CO 0.09 0.44 0.10 -0.13 0.00 0.00 0.00 174.94 175.44 1ykm s ARG 188 N 0.84 2.23 0.22 2.79 0.52 -1.26 -0.63 118.95 123.65 1ykm s ARG 188 Ca 0.01 -1.52 -0.08 0.00 -0.52 0.00 0.00 55.73 53.62 1ykm s ARG 188 Cb -0.14 -3.38 0.17 0.00 0.52 0.00 0.00 34.95 32.12 1ykm s ARG 188 CO 0.02 -0.83 1.80 0.82 0.02 0.00 0.00 175.30 177.13 1ykm h ILE 189 N 6.40 1.26 -3.38 1.52 2.04 -1.61 -0.32 117.51 123.42 1ykm h ILE 189 Ca -0.17 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 1ykm h ILE 189 Cb 1.06 0.24 -0.20 0.00 -0.74 0.00 0.00 36.82 37.18 1ykm h ILE 189 CO 0.61 0.32 -0.42 -1.58 0.00 0.00 0.00 178.15 177.07 1ykm s GLN 190 N -5.65 0.55 0.00 2.37 0.74 -1.26 -4.76 119.66 111.66 1ykm s GLN 190 Ca -0.12 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 54.93 1ykm s GLN 190 Cb 0.16 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1ykm s GLN 190 CO 0.83 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 1ykm n GLY 191 N 1.35 0.17 3.67 2.59 0.00 -1.26 -4.05 105.19 107.66 1ykm n GLY 191 Ca -0.22 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1ykm n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykm s GLU 192 N 0.00 4.22 -0.51 1.61 2.12 -1.26 -2.71 118.70 122.17 1ykm s GLU 192 Ca 0.00 2.08 -0.01 0.00 0.36 0.00 0.00 54.97 57.40 1ykm s GLU 192 Cb 0.00 -3.77 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1ykm s GLU 192 CO 0.00 -0.73 0.19 0.41 -0.54 0.00 0.00 175.26 174.59 1ykm n GLY 193 N 3.90 0.28 3.71 -1.50 0.00 -1.26 -4.97 105.19 105.35 1ykm n GLY 193 Ca 0.15 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1ykm n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykm n GLU 194 N -1.81 2.74 -2.18 1.61 2.13 -1.10 -4.65 120.64 117.38 1ykm n GLU 194 Ca -0.04 0.99 -0.41 0.00 0.66 0.00 0.00 57.16 58.36 1ykm n GLU 194 Cb 0.54 -2.84 -0.03 0.00 0.27 0.00 0.00 31.44 29.38 1ykm n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykm s THR 195 N 1.38 3.08 0.08 6.31 2.01 -0.13 -4.96 115.64 123.41 1ykm s THR 195 Ca 0.76 0.92 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 1ykm s THR 195 Cb -0.51 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 1ykm s THR 195 CO 0.33 0.15 1.54 -0.69 -0.69 0.00 0.00 174.62 175.27 1ykm s VAL 196 N -0.09 3.13 -0.02 3.82 1.01 -1.26 -4.94 120.40 122.05 1ykm s VAL 196 Ca 0.56 0.67 0.05 0.00 0.00 0.00 0.00 61.98 63.25 1ykm s VAL 196 Cb -0.37 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1ykm s VAL 196 CO 0.41 0.02 -0.15 -0.36 0.00 0.00 0.00 175.10 175.01 1ykm s PHE 197 N 2.05 2.67 0.38 5.22 0.08 -1.26 -4.70 117.98 122.42 1ykm s PHE 197 Ca 0.70 -0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.64 1ykm s PHE 197 Cb -0.38 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1ykm s PHE 197 CO 0.31 0.21 0.42 -0.06 -0.10 0.00 0.00 175.22 176.00 1ykm s PHE 198 N -0.79 2.87 -0.06 0.36 0.08 0.87 -4.99 117.98 116.32 1ykm s PHE 198 Ca 0.13 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.78 1ykm s PHE 198 Cb -0.11 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1ykm s PHE 198 CO 0.02 -0.09 0.13 0.34 -0.10 0.00 0.00 175.22 175.52 1ykm s ASP 199 N -4.16 -0.10 0.00 1.36 3.68 -1.26 -4.26 116.67 111.93 1ykm s ASP 199 Ca 0.47 0.26 0.00 0.00 2.13 0.00 0.00 52.55 55.42 1ykm s ASP 199 Cb -0.07 0.17 0.00 0.00 -1.45 0.00 0.00 42.92 41.58 1ykm s ASP 199 CO 0.29 -0.12 0.00 2.22 0.13 0.00 0.00 175.17 177.69