#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 4.75 -0.16 4.25 -1.09 -1.26 -5.03 121.20 122.67 1ykm s ILE 2 Ca 0.00 1.92 -0.04 0.00 -2.23 0.00 0.00 60.65 60.30 1ykm s ILE 2 Cb 0.00 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1ykm s ILE 2 CO 0.00 -0.09 -0.03 -1.61 -1.23 0.00 0.00 174.94 171.97 1ykm s GLU 3 N 2.70 3.68 0.62 2.79 0.41 -1.26 -5.12 118.70 122.52 1ykm s GLU 3 Ca 0.43 -0.52 0.08 0.00 -0.41 0.00 0.00 54.97 54.56 1ykm s GLU 3 Cb -0.16 -2.92 0.11 0.00 -1.78 0.00 0.00 34.13 29.37 1ykm s GLU 3 CO 0.10 0.24 0.85 1.28 -0.49 0.00 0.00 175.26 177.24 1ykm n LEU 4 N 3.55 0.00 -4.76 1.80 4.32 -1.26 -5.06 117.00 115.59 1ykm n LEU 4 Ca -0.17 -2.47 -0.41 0.00 -0.02 0.00 0.00 56.01 52.94 1ykm n LEU 4 Cb 0.52 -0.47 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1ykm n LEU 4 CO 0.33 -0.77 0.98 -0.76 -1.22 0.00 0.00 177.39 175.95 1ykm s LEU 5 N 0.00 4.43 0.36 2.23 1.43 -1.26 -4.97 118.68 120.90 1ykm s LEU 5 Ca 0.63 2.55 -0.26 0.00 -1.03 0.00 0.00 54.13 56.02 1ykm s LEU 5 Cb -0.05 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 1ykm s LEU 5 CO 0.40 -0.51 1.12 -2.84 0.23 0.00 0.00 176.35 174.75 1ykm s PRO 6 N -1.05 4.25 0.44 1.29 0.02 -1.26 -5.01 135.00 133.69 1ykm s PRO 6 Ca 0.52 1.75 -0.24 0.00 0.02 0.00 0.00 61.00 63.05 1ykm s PRO 6 Cb -0.38 -2.79 -0.08 0.00 0.02 0.00 0.00 34.50 31.27 1ykm s PRO 6 CO 0.46 -0.12 1.20 -2.00 -0.33 0.00 0.00 177.00 176.21 1ykm s GLU 7 N -2.10 3.83 0.06 5.54 2.12 -1.26 -4.95 118.70 121.94 1ykm s GLU 7 Ca 0.54 1.88 -0.30 0.00 0.36 0.00 0.00 54.97 57.44 1ykm s GLU 7 Cb -0.29 -2.53 -0.09 0.00 0.26 0.00 0.00 34.13 31.49 1ykm s GLU 7 CO 0.37 -0.52 1.81 0.99 -0.54 0.00 0.00 175.26 177.37 1ykm s THR 8 N -1.45 2.96 0.54 -1.70 2.01 -1.26 -4.94 115.64 111.81 1ykm s THR 8 Ca 0.61 0.24 -0.21 0.00 0.31 0.00 0.00 61.69 62.65 1ykm s THR 8 Cb -0.31 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1ykm s THR 8 CO 0.39 -0.01 1.22 -2.16 -0.69 0.00 0.00 174.62 173.37 1ykm s PRO 9 N 3.47 3.25 0.54 4.92 0.04 -1.26 -5.02 135.00 140.95 1ykm s PRO 9 Ca 0.81 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.56 1ykm s PRO 9 Cb -0.42 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 1ykm s PRO 9 CO 0.36 -1.00 1.04 0.45 0.04 0.00 0.00 177.00 177.90 1ykm s SER 10 N -1.40 6.10 0.05 6.66 0.15 -1.26 -5.09 113.70 118.91 1ykm s SER 10 Ca 0.72 1.83 -0.02 0.00 0.70 0.00 0.00 55.95 59.19 1ykm s SER 10 Cb -0.32 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.42 1ykm s SER 10 CO 0.36 -0.95 -0.00 -1.10 1.20 0.00 0.00 173.24 172.75 1ykm s GLN 11 N -3.74 0.58 0.55 5.44 -1.52 -1.19 -4.90 119.66 114.89 1ykm s GLN 11 Ca 0.64 -1.08 -0.22 0.00 -1.95 0.00 0.00 55.36 52.76 1ykm s GLN 11 Cb -0.15 0.21 -0.05 0.00 -0.22 0.00 0.00 33.01 32.80 1ykm s GLN 11 CO 0.29 -0.12 1.36 -0.08 -0.25 0.00 0.00 175.29 176.50 1ykm s THR 12 N -3.48 2.05 0.22 -0.19 -1.32 -1.22 -4.75 115.64 106.95 1ykm s THR 12 Ca 0.03 0.04 0.35 0.00 -1.21 0.00 0.00 61.69 60.90 1ykm s THR 12 Cb 0.05 -3.02 0.40 0.00 -1.51 0.00 0.00 72.50 68.41 1ykm s THR 12 CO -0.08 -0.00 2.06 0.00 -2.21 0.00 0.00 174.62 174.38 1ykm h ALA 13 N 1.41 1.01 0.00 11.08 0.00 -1.74 -3.49 119.26 127.53 1ykm h ALA 13 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ykm h ALA 13 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ykm h ALA 13 CO 0.57 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1ykm n GLY 14 N -0.19 -1.83 0.26 0.00 0.00 -1.26 -4.13 105.19 98.04 1ykm n GLY 14 Ca -0.00 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.51 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 0.35 -0.96 1.61 0.13 -1.93 -3.13 132.00 128.07 1ykm h PRO 15 Ca 0.00 -0.07 -0.65 0.00 -0.87 0.00 0.00 66.00 64.41 1ykm h PRO 15 Cb 0.00 -0.06 -0.31 0.00 0.13 0.00 0.00 31.00 30.77 1ykm h PRO 15 CO 0.00 0.41 0.67 0.66 -0.23 0.00 0.00 178.00 179.50 1ykm n TYR 16 N -4.32 3.15 0.29 1.56 4.01 -1.26 -4.62 117.16 115.98 1ykm n TYR 16 Ca 0.00 -2.88 0.15 0.00 -0.16 0.00 0.00 57.90 55.02 1ykm n TYR 16 Cb 0.22 -1.30 0.86 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.14 0.47 0.00 -0.72 3.04 -1.70 -2.75 116.25 115.72 1ykm h VAL 17 Ca 0.58 -0.25 -0.09 0.00 -1.01 0.00 0.00 66.70 65.93 1ykm h VAL 17 Cb 1.00 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1ykm h VAL 17 CO 1.47 0.05 -0.41 0.45 -1.01 0.00 0.00 177.57 178.12 1ykm h HIS 18 N 0.00 0.00 0.00 3.17 3.86 -1.86 -2.43 115.15 117.89 1ykm h HIS 18 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1ykm h HIS 18 Cb 0.16 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1ykm h HIS 18 CO 0.00 0.41 -0.06 -0.84 0.86 0.00 0.00 177.93 178.30 1ykm h ILE 19 N 0.00 0.25 0.00 2.45 3.07 -1.73 -0.26 117.51 121.28 1ykm h ILE 19 Ca -0.00 -0.43 -0.10 0.00 1.55 0.00 0.00 64.86 65.87 1ykm h ILE 19 Cb 0.78 1.34 -0.02 0.00 -0.27 0.00 0.00 36.82 38.65 1ykm h ILE 19 CO 0.05 0.06 -1.60 0.61 -1.05 0.00 0.00 178.15 176.22 1ykm n GLY 20 N -0.50 -0.49 0.01 0.16 0.00 -1.18 -4.65 105.19 98.54 1ykm n GLY 20 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.16 0.20 -2.98 0.99 4.77 -0.92 -4.83 117.00 112.07 1ykm n LEU 21 Ca -0.10 -0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 55.17 1ykm n LEU 21 Cb 0.59 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 1ykm n LEU 21 CO 0.22 0.05 -0.01 0.00 -1.33 0.00 0.00 177.39 176.32 1ykm n ALA 22 N -0.90 0.69 -0.33 -1.18 0.00 -0.14 -4.98 120.51 113.67 1ykm n ALA 22 Ca 0.00 -2.49 0.10 0.00 0.00 0.00 0.00 53.44 51.05 1ykm n ALA 22 Cb 0.03 -1.04 0.27 0.00 0.00 0.00 0.00 19.45 18.70 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 3.42 0.67 -0.33 0.00 4.07 -1.75 -1.87 115.31 119.51 1ykm h LEU 23 Ca -0.01 0.09 -0.18 0.00 0.08 0.00 0.00 57.88 57.86 1ykm h LEU 23 Cb 1.00 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.71 1ykm h LEU 23 CO 0.36 0.26 -0.55 -0.08 -1.08 0.00 0.00 178.44 177.35 1ykm h GLU 24 N 0.71 0.83 0.00 1.13 4.81 -1.88 -2.08 114.58 118.10 1ykm h GLU 24 Ca 0.52 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ykm h GLU 24 Cb 0.76 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1ykm h GLU 24 CO -0.37 1.16 0.00 0.00 -0.73 0.00 0.00 179.01 179.07 1ykm h ALA 25 N 0.73 1.00 -0.11 2.92 0.00 -1.82 -2.22 119.26 119.76 1ykm h ALA 25 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ykm h ALA 25 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ykm h ALA 25 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1ykm n ALA 26 N -1.85 2.48 -1.54 0.00 0.00 -0.74 -4.96 120.51 113.91 1ykm n ALA 26 Ca 0.02 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 1ykm n ALA 26 Cb 0.28 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 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 1.37 3.75 0.00 0.00 -0.84 -4.96 105.19 105.83 1ykm n GLY 27 Ca 0.16 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.78 5.32 0.33 1.61 0.01 -0.80 -5.05 114.94 113.58 1ykm s ASN 28 Ca 0.00 -0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.73 1ykm s ASN 28 Cb 0.00 -1.35 -0.11 0.00 0.41 0.00 0.00 41.25 40.20 1ykm s ASN 28 CO 0.00 0.13 1.44 -2.16 -1.51 0.00 0.00 177.10 175.00 1ykm s PRO 29 N -2.68 4.21 0.62 -0.60 0.04 -1.26 -4.17 135.00 131.16 1ykm s PRO 29 Ca 0.29 2.43 -0.04 0.00 0.04 0.00 0.00 61.00 63.72 1ykm s PRO 29 Cb -0.11 -3.03 0.04 0.00 0.04 0.00 0.00 34.50 31.44 1ykm s PRO 29 CO 0.21 -0.43 0.91 0.95 0.04 0.00 0.00 177.00 178.68 1ykm s THR 30 N -0.82 2.80 0.57 1.26 -4.23 -1.26 -4.92 115.64 109.04 1ykm s THR 30 Ca 0.54 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1ykm s THR 30 Cb -0.44 -3.13 0.08 0.00 1.34 0.00 0.00 72.50 70.34 1ykm s THR 30 CO 0.55 -0.13 0.78 -0.13 -0.54 0.00 0.00 174.62 175.16 1ykm s ARG 31 N -5.02 2.31 0.14 3.99 0.52 -1.26 -5.04 118.95 114.59 1ykm s ARG 31 Ca 0.57 -1.44 -0.17 0.00 -0.52 0.00 0.00 55.73 54.17 1ykm s ARG 31 Cb -0.11 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.78 1ykm s ARG 31 CO 0.43 -0.84 1.76 -0.44 0.02 0.00 0.00 175.30 176.22 1ykm h ASP 32 N 0.14 0.16 -3.35 0.23 3.32 -2.07 -3.40 116.42 111.45 1ykm h ASP 32 Ca -0.33 0.03 -0.67 0.00 0.02 0.00 0.00 57.03 56.07 1ykm h ASP 32 Cb 1.28 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.49 1ykm h ASP 32 CO 0.42 0.13 -0.81 -1.10 -1.72 0.00 0.00 179.24 176.16 1ykm s GLN 33 N -6.17 2.83 0.07 3.56 -0.21 -1.26 -5.12 119.66 113.37 1ykm s GLN 33 Ca -0.13 -0.96 0.09 0.00 0.02 0.00 0.00 55.36 54.38 1ykm s GLN 33 Cb 0.11 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 1ykm s GLN 33 CO 0.71 -0.32 -0.23 -1.21 -2.12 0.00 0.00 175.29 172.11 1ykm s GLU 34 N 1.27 1.45 -0.43 2.91 0.41 -1.26 -5.11 118.70 117.94 1ykm s GLU 34 Ca 0.01 -1.10 -0.20 0.00 -0.41 0.00 0.00 54.97 53.27 1ykm s GLU 34 Cb -0.15 -1.68 0.02 0.00 -1.78 0.00 0.00 34.13 30.54 1ykm s GLU 34 CO -0.09 0.42 0.60 0.42 -0.49 0.00 0.00 175.26 176.12 1ykm s ILE 35 N -0.91 4.88 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.27 1ykm s ILE 35 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1ykm s ILE 35 Cb -0.10 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1ykm s ILE 35 CO 0.03 -0.55 0.00 1.87 0.00 0.00 0.00 174.94 176.29 1ykm n TRP 36 N 6.11 0.00 1.70 3.97 -0.00 -1.26 -4.54 117.44 123.42 1ykm n TRP 36 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.55 1ykm n TRP 36 Cb 0.48 0.00 0.49 0.00 -0.00 0.00 0.00 31.31 32.28 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 -0.23 0.00 -4.24 5.87 6.94 -0.47 -2.21 115.26 120.92 1ykm n ASN 37 Ca 0.00 -1.19 -0.42 0.00 -0.02 0.00 0.00 54.58 52.96 1ykm n ASN 37 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 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 3.56 0.12 -3.83 3.52 -1.26 -1.11 118.95 117.96 1ykm s ARG 38 Ca 0.25 -2.95 -0.11 0.00 -0.13 0.00 0.00 55.73 52.79 1ykm s ARG 38 Cb 0.11 -4.24 -0.11 0.00 -1.56 0.00 0.00 34.95 29.15 1ykm s ARG 38 CO 0.19 -1.25 1.35 -0.07 -0.81 0.00 0.00 175.30 174.71 1ykm h LEU 39 N 6.82 0.90 -8.72 -0.88 4.07 -1.50 -3.44 115.31 112.56 1ykm h LEU 39 Ca 0.13 -0.56 -0.67 0.00 0.08 0.00 0.00 57.88 56.86 1ykm h LEU 39 Cb 0.91 -0.26 -0.26 0.00 1.08 0.00 0.00 40.66 42.13 1ykm h LEU 39 CO 0.86 1.35 -0.77 0.00 -1.08 0.00 0.00 178.44 178.80 1ykm s ALA 40 N -3.83 2.62 0.37 1.53 0.00 -1.18 -1.26 121.76 120.01 1ykm s ALA 40 Ca -0.10 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 1ykm s ALA 40 Cb 0.09 -1.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.01 1ykm s ALA 40 CO 0.89 0.37 0.85 0.15 0.00 0.00 0.00 175.76 178.02 1ykm s LYS 41 N -0.06 4.15 0.65 0.00 1.02 0.13 -4.79 119.74 120.84 1ykm s LYS 41 Ca -0.03 0.93 0.15 0.00 0.02 0.00 0.00 55.97 57.04 1ykm s LYS 41 Cb -0.14 -2.34 0.72 0.00 -0.52 0.00 0.00 37.83 35.56 1ykm s LYS 41 CO 0.04 0.08 1.37 -1.35 -0.92 0.00 0.00 175.35 174.57 1ykm h PRO 42 N 2.16 0.00 -0.55 -1.68 0.11 -2.00 -1.35 132.00 128.70 1ykm h PRO 42 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ykm h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ykm h PRO 42 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1ykm n ASP 43 N -2.85 4.39 -4.78 -2.05 5.75 -1.26 -5.00 116.55 110.75 1ykm n ASP 43 Ca 0.04 -2.47 -0.37 0.00 -0.01 0.00 0.00 54.79 51.98 1ykm n ASP 43 Cb 0.91 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 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 -1.88 3.22 0.66 2.12 0.00 -0.51 -5.04 121.76 120.33 1ykm s ALA 44 Ca 0.46 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 1ykm s ALA 44 Cb 0.30 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1ykm s ALA 44 CO 0.21 0.17 1.18 -1.25 0.00 0.00 0.00 175.76 176.07 1ykm s PRO 45 N -1.98 2.60 0.00 0.00 0.04 -1.26 -4.91 135.00 129.48 1ykm s PRO 45 Ca 0.49 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1ykm s PRO 45 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1ykm s PRO 45 CO 0.24 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1ykm n GLY 46 N 0.18 -3.27 3.55 0.56 0.00 -1.26 -4.64 105.19 100.31 1ykm n GLY 46 Ca 0.13 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.83 3.48 -0.07 1.61 2.12 -1.26 -4.96 118.70 118.79 1ykm s GLU 47 Ca 0.00 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.09 1ykm s GLU 47 Cb 0.00 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1ykm s GLU 47 CO 0.00 -1.27 1.42 -1.01 -0.54 0.00 0.00 175.26 173.87 1ykm s HIS 48 N 3.76 2.61 0.19 5.30 3.76 -1.26 -1.40 115.29 128.24 1ykm s HIS 48 Ca 0.35 0.71 0.08 0.00 -0.15 0.00 0.00 55.06 56.05 1ykm s HIS 48 Cb -0.11 -3.68 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 1ykm s HIS 48 CO 0.25 -2.58 -0.15 0.96 -0.85 0.00 0.00 174.74 172.36 1ykm s ILE 49 N 3.20 1.71 -0.17 0.60 -4.36 0.12 -4.46 121.20 117.83 1ykm s ILE 49 Ca 0.63 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1ykm s ILE 49 Cb -0.29 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1ykm s ILE 49 CO 0.24 -0.51 -0.14 -0.22 0.24 0.00 0.00 174.94 174.54 1ykm s LEU 50 N -3.08 2.49 -0.13 0.37 2.96 -0.23 -2.29 118.68 118.77 1ykm s LEU 50 Ca 0.20 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1ykm s LEU 50 Cb -0.02 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 1ykm s LEU 50 CO 0.06 0.06 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.38 1ykm s LEU 51 N 0.98 3.47 0.03 -0.68 1.43 0.11 -1.23 118.68 122.79 1ykm s LEU 51 Ca -0.02 0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1ykm s LEU 51 Cb -0.15 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1ykm s LEU 51 CO -0.03 0.26 0.13 -1.48 0.23 0.00 0.00 176.35 175.46 1ykm s LEU 52 N -0.17 1.65 -0.06 1.79 -0.00 -0.81 -1.02 118.68 120.06 1ykm s LEU 52 Ca 0.04 -0.44 -0.32 0.00 -0.00 0.00 0.00 54.13 53.41 1ykm s LEU 52 Cb -0.13 0.70 0.14 0.00 -0.00 0.00 0.00 46.19 46.90 1ykm s LEU 52 CO 0.02 -0.50 1.36 -0.83 -0.00 0.00 0.00 176.35 176.40 1ykm s GLY 53 N -2.01 -0.45 0.19 -3.48 0.00 -1.12 -0.71 107.32 99.74 1ykm s GLY 53 Ca -0.06 0.86 0.09 0.00 0.00 0.00 0.00 44.72 45.60 1ykm s GLY 53 CO -0.03 0.16 -0.18 1.20 0.00 0.00 0.00 173.10 174.24 1ykm s GLN 54 N -2.23 1.37 -0.15 2.90 -0.21 -1.26 -1.57 119.66 118.51 1ykm s GLN 54 Ca 0.14 -1.51 0.01 0.00 0.02 0.00 0.00 55.36 54.02 1ykm s GLN 54 Cb 0.06 -1.39 -0.00 0.00 1.00 0.00 0.00 33.01 32.68 1ykm s GLN 54 CO -0.05 0.27 -0.16 0.08 -2.12 0.00 0.00 175.29 173.31 1ykm s VAL 55 N -2.29 2.63 0.09 1.09 1.01 -1.26 -1.46 120.40 120.21 1ykm s VAL 55 Ca 0.20 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1ykm s VAL 55 Cb -0.05 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1ykm s VAL 55 CO 0.08 0.52 -0.10 -0.31 0.00 0.00 0.00 175.10 175.30 1ykm s TYR 56 N 0.72 2.76 0.00 5.22 1.51 0.23 -0.52 117.35 127.26 1ykm s TYR 56 Ca -0.07 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1ykm s TYR 56 Cb -0.16 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1ykm s TYR 56 CO 0.01 0.41 0.00 -0.40 -1.11 0.00 0.00 175.55 174.47 1ykm n ASP 57 N 0.83 0.00 0.07 2.29 5.68 -0.07 -2.13 116.55 123.23 1ykm n ASP 57 Ca -0.14 -0.97 0.09 0.00 -0.50 0.00 0.00 54.79 53.28 1ykm n ASP 57 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.90 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 -1.11 0.95 6.12 0.00 -1.26 -2.18 105.19 112.71 1ykm n GLY 58 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.89 3.28 -0.06 1.61 3.02 -1.26 -4.74 115.26 115.23 1ykm n ASN 59 Ca 0.02 -1.95 -0.01 0.00 -0.03 0.00 0.00 54.58 52.61 1ykm n ASN 59 Cb 0.19 -0.30 -0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.07 0.47 3.87 7.41 0.00 -0.93 -5.03 105.19 112.06 1ykm n GLY 60 Ca 0.17 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.92 3.61 0.27 1.61 3.76 -1.26 -4.79 115.29 116.57 1ykm s HIS 61 Ca 0.00 0.76 -0.30 0.00 -0.15 0.00 0.00 55.06 55.37 1ykm s HIS 61 Cb 0.00 -2.13 -0.10 0.00 1.11 0.00 0.00 32.58 31.46 1ykm s HIS 61 CO 0.00 0.57 1.48 -0.51 -0.85 0.00 0.00 174.74 175.43 1ykm s LEU 62 N -1.71 4.37 -0.53 0.89 1.43 -1.26 -0.89 118.68 120.98 1ykm s LEU 62 Ca 0.29 2.77 -0.18 0.00 -1.03 0.00 0.00 54.13 55.98 1ykm s LEU 62 Cb -0.14 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.53 1ykm s LEU 62 CO 0.16 -0.76 0.62 -0.69 0.23 0.00 0.00 176.35 175.91 1ykm s VAL 63 N -0.14 4.92 -1.44 -1.59 1.01 0.32 -4.88 120.40 118.60 1ykm s VAL 63 Ca 0.59 -0.79 0.14 0.00 0.00 0.00 0.00 61.98 61.92 1ykm s VAL 63 Cb -0.44 -4.34 0.50 0.00 0.00 0.00 0.00 36.38 32.10 1ykm s VAL 63 CO 0.46 -0.89 1.38 0.54 0.00 0.00 0.00 175.10 176.60 1ykm n ARG 64 N 6.05 2.78 -0.58 2.72 1.74 -1.26 -4.22 116.66 123.89 1ykm n ARG 64 Ca -0.09 -2.00 0.03 0.00 -0.77 0.00 0.00 57.85 55.02 1ykm n ARG 64 Cb 0.44 -1.64 0.04 0.00 -1.02 0.00 0.00 32.46 30.28 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 0.81 0.73 -4.83 0.55 5.68 -1.22 -3.60 116.55 114.67 1ykm n ASP 65 Ca 0.18 -2.33 -0.32 0.00 -0.50 0.00 0.00 54.79 51.82 1ykm n ASP 65 Cb 0.62 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 40.29 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 -1.67 6.46 -0.06 -1.12 1.04 -1.24 -4.58 113.70 112.53 1ykm s SER 66 Ca 0.14 1.64 0.02 0.00 0.48 0.00 0.00 55.95 58.22 1ykm s SER 66 Cb 0.14 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.76 1ykm s SER 66 CO -0.02 -0.70 -0.09 0.12 0.98 0.00 0.00 173.24 173.53 1ykm s PHE 67 N -2.55 1.14 0.05 5.02 5.36 0.92 -2.43 117.98 125.49 1ykm s PHE 67 Ca 0.60 -0.40 0.07 0.00 -0.96 0.00 0.00 56.93 56.25 1ykm s PHE 67 Cb -0.11 -0.90 -0.03 0.00 -0.34 0.00 0.00 43.02 41.65 1ykm s PHE 67 CO 0.31 -0.25 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.11 1ykm s LEU 68 N 0.83 2.17 -0.03 6.12 1.02 -0.35 -0.47 118.68 127.96 1ykm s LEU 68 Ca -0.12 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.55 1ykm s LEU 68 Cb -0.15 -0.93 -0.00 0.00 0.02 0.00 0.00 46.19 45.13 1ykm s LEU 68 CO 0.02 0.14 -0.16 -1.61 0.02 0.00 0.00 176.35 174.76 1ykm s GLU 69 N -1.21 1.54 0.17 1.70 2.02 -0.81 -1.35 118.70 120.76 1ykm s GLU 69 Ca 0.07 -0.56 0.11 0.00 0.02 0.00 0.00 54.97 54.61 1ykm s GLU 69 Cb -0.09 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1ykm s GLU 69 CO 0.02 0.25 -0.25 0.14 0.02 0.00 0.00 175.26 175.44 1ykm s VAL 70 N -0.04 2.34 -0.17 2.63 -7.23 -0.54 -1.36 120.40 116.03 1ykm s VAL 70 Ca -0.01 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1ykm s VAL 70 Cb -0.10 -2.10 0.08 0.00 0.56 0.00 0.00 36.38 34.83 1ykm s VAL 70 CO 0.01 -0.05 0.27 0.86 -0.31 0.00 0.00 175.10 175.88 1ykm s TRP 71 N -1.47 -0.44 0.08 2.82 -0.11 -0.43 -2.72 118.94 116.67 1ykm s TRP 71 Ca 0.19 0.73 -0.03 0.00 1.22 0.00 0.00 56.10 58.20 1ykm s TRP 71 Cb -0.09 -0.13 -0.03 0.00 -1.50 0.00 0.00 33.47 31.73 1ykm s TRP 71 CO 0.09 -0.48 0.06 1.14 -4.62 0.00 0.00 176.95 173.13 1ykm s GLN 72 N 2.41 0.76 0.59 5.86 -2.07 -0.75 -1.23 119.66 125.22 1ykm s GLN 72 Ca 0.04 -1.20 -0.07 0.00 -1.82 0.00 0.00 55.36 52.32 1ykm s GLN 72 Cb -0.14 0.26 -0.00 0.00 -1.09 0.00 0.00 33.01 32.04 1ykm s GLN 72 CO -0.11 -0.19 0.91 0.00 -1.32 0.00 0.00 175.29 174.58 1ykm s ALA 73 N -3.93 3.26 1.00 2.60 0.00 -1.26 -4.56 121.76 118.87 1ykm s ALA 73 Ca 0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 1ykm s ALA 73 Cb 0.07 -2.68 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1ykm s ALA 73 CO -0.07 -0.75 0.17 -0.40 0.00 0.00 0.00 175.76 174.70 1ykm n ASP 74 N -2.58 -0.02 0.28 0.00 5.68 0.11 -4.34 116.55 115.67 1ykm n ASP 74 Ca 0.04 -1.05 0.14 0.00 -0.50 0.00 0.00 54.79 53.42 1ykm n ASP 74 Cb 0.57 -0.13 0.84 0.00 -1.14 0.00 0.00 41.12 41.26 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 -1.98 1.45 -0.01 2.12 0.00 -1.82 0.14 119.26 119.15 1ykm h ALA 75 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ykm h ALA 75 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ykm h ALA 75 CO 0.04 0.06 -0.25 0.09 0.00 0.00 0.00 179.25 179.19 1ykm n ASN 76 N -3.79 1.52 -0.38 0.00 3.02 -1.26 -3.95 115.26 110.41 1ykm n ASN 76 Ca -0.03 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1ykm n ASN 76 Cb 0.14 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 1.33 0.91 3.15 7.41 0.00 -0.60 -4.76 105.19 112.64 1ykm n GLY 77 Ca 0.13 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.32 1.65 -0.31 1.61 2.02 -1.26 -4.71 118.70 113.38 1ykm s GLU 78 Ca 0.00 -0.62 -0.22 0.00 0.02 0.00 0.00 54.97 54.15 1ykm s GLU 78 Cb 0.00 -1.50 -0.00 0.00 0.10 0.00 0.00 34.13 32.73 1ykm s GLU 78 CO 0.00 0.30 0.72 0.71 0.02 0.00 0.00 175.26 177.01 1ykm s TYR 79 N -0.15 3.20 -0.72 1.61 1.51 -1.26 -0.71 117.35 120.82 1ykm s TYR 79 Ca 0.01 0.69 -0.19 0.00 -1.01 0.00 0.00 57.07 56.57 1ykm s TYR 79 Cb -0.10 -3.13 0.12 0.00 -0.11 0.00 0.00 41.96 38.75 1ykm s TYR 79 CO 0.01 -0.54 0.85 -0.65 -1.11 0.00 0.00 175.55 174.11 1ykm s GLN 80 N 2.81 3.27 0.17 -0.62 -1.52 -1.26 -4.91 119.66 117.60 1ykm s GLN 80 Ca 0.29 -1.55 0.05 0.00 -1.95 0.00 0.00 55.36 52.20 1ykm s GLN 80 Cb -0.14 -4.45 -0.00 0.00 -0.22 0.00 0.00 33.01 28.20 1ykm s GLN 80 CO 0.13 -1.59 1.39 0.38 -0.25 0.00 0.00 175.29 175.34 1ykm h ASP 81 N 8.93 0.16 -1.26 5.90 2.03 -1.98 -3.26 116.42 126.94 1ykm h ASP 81 Ca -0.12 -0.13 -0.44 0.00 -0.73 0.00 0.00 57.03 55.60 1ykm h ASP 81 Cb 1.06 -0.05 -0.06 0.00 -0.83 0.00 0.00 39.33 39.45 1ykm h ASP 81 CO 1.06 0.95 1.09 0.00 -1.03 0.00 0.00 179.24 181.31 1ykm s ALA 82 N -3.14 2.16 -0.02 4.15 0.00 -1.26 -4.95 121.76 118.70 1ykm s ALA 82 Ca -0.02 -1.51 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1ykm s ALA 82 Cb 0.10 -4.46 -0.04 0.00 0.00 0.00 0.00 23.12 18.72 1ykm s ALA 82 CO 0.82 -4.15 1.25 -0.47 0.00 0.00 0.00 175.76 173.21 1ykm s TYR 83 N 8.08 3.15 -0.19 0.00 5.04 -1.26 -5.01 117.35 127.16 1ykm s TYR 83 Ca 0.59 1.13 -0.17 0.00 -2.44 0.00 0.00 57.07 56.18 1ykm s TYR 83 Cb -0.06 -3.48 0.05 0.00 0.35 0.00 0.00 41.96 38.81 1ykm s TYR 83 CO 0.03 -1.60 0.50 1.21 -1.34 0.00 0.00 175.55 174.34 1ykm s ASN 84 N 1.50 -0.53 0.00 4.32 3.84 -1.26 -5.05 114.94 117.76 1ykm s ASN 84 Ca 0.58 1.01 0.28 0.00 0.21 0.00 0.00 52.86 54.95 1ykm s ASN 84 Cb -0.27 1.01 1.51 0.00 -0.55 0.00 0.00 41.25 42.94 1ykm s ASN 84 CO 0.24 -0.18 1.99 0.18 -2.79 0.00 0.00 177.10 176.54 1ykm n LEU 85 N 2.97 0.00 0.02 3.21 4.77 -1.26 -3.08 117.00 123.64 1ykm n LEU 85 Ca -0.14 0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1ykm n LEU 85 Cb 0.57 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.56 1ykm n LEU 85 CO 0.10 -0.02 0.17 -0.62 -1.33 0.00 0.00 177.39 175.69 1ykm n GLU 86 N -1.19 0.19 -2.32 3.23 1.02 -1.26 -4.94 120.64 115.38 1ykm n GLU 86 Ca 0.16 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.96 1ykm n GLU 86 Cb 0.18 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1ykm n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ykm s ASN 87 N -3.68 6.06 0.29 1.62 0.01 -1.18 -4.95 114.94 113.11 1ykm s ASN 87 Ca 0.06 2.18 0.07 0.00 -0.71 0.00 0.00 52.86 54.46 1ykm s ASN 87 Cb 0.15 -2.59 0.44 0.00 0.41 0.00 0.00 41.25 39.66 1ykm s ASN 87 CO 0.77 -0.99 1.68 0.00 -1.51 0.00 0.00 177.10 177.05 1ykm h ALA 88 N 1.66 1.08 -3.65 0.60 0.00 -1.92 -3.44 119.26 113.59 1ykm h ALA 88 Ca -0.50 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 53.74 1ykm h ALA 88 Cb 1.25 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 1ykm h ALA 88 CO 0.59 0.62 -0.72 0.12 0.00 0.00 0.00 179.25 179.86 1ykm s PHE 89 N -4.02 0.06 -0.05 0.00 5.36 -1.26 -0.69 117.98 117.39 1ykm s PHE 89 Ca -0.04 -0.07 0.03 0.00 -0.96 0.00 0.00 56.93 55.89 1ykm s PHE 89 Cb 0.13 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1ykm s PHE 89 CO 0.77 -0.02 -0.12 -0.80 -1.46 0.00 0.00 175.22 173.59 1ykm s ASN 90 N -0.18 1.65 0.33 6.13 0.01 -0.39 -4.99 114.94 117.49 1ykm s ASN 90 Ca -0.02 -0.27 0.26 0.00 -0.71 0.00 0.00 52.86 52.13 1ykm s ASN 90 Cb -0.01 -0.60 0.95 0.00 0.41 0.00 0.00 41.25 42.00 1ykm s ASN 90 CO -0.00 0.07 1.77 0.28 -1.51 0.00 0.00 177.10 177.71 1ykm h SER 91 N 6.64 0.00 -3.48 -1.22 0.02 -1.80 -3.44 113.55 110.27 1ykm h SER 91 Ca -0.32 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.96 1ykm h SER 91 Cb 1.18 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.57 1ykm h SER 91 CO 0.48 0.00 -0.70 0.12 -1.14 0.00 0.00 176.83 175.59 1ykm s PHE 92 N -3.32 2.89 0.12 3.45 5.36 -1.26 -1.81 117.98 123.39 1ykm s PHE 92 Ca 0.06 -0.07 -0.25 0.00 -0.96 0.00 0.00 56.93 55.71 1ykm s PHE 92 Cb 0.10 -1.52 0.07 0.00 -0.34 0.00 0.00 43.02 41.33 1ykm s PHE 92 CO 0.50 0.44 0.76 0.20 -1.46 0.00 0.00 175.22 175.66 1ykm s GLY 93 N -2.06 -0.45 0.03 13.12 0.00 -1.10 -4.81 107.32 112.05 1ykm s GLY 93 Ca 0.22 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.50 1ykm s GLY 93 CO 0.14 0.17 -0.11 0.50 0.00 0.00 0.00 173.10 173.81 1ykm s ARG 94 N -3.50 0.74 0.25 2.90 0.52 -0.94 -1.47 118.95 117.45 1ykm s ARG 94 Ca 0.05 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.58 1ykm s ARG 94 Cb -0.02 -0.69 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 1ykm s ARG 94 CO -0.07 0.17 0.38 -0.08 0.02 0.00 0.00 175.30 175.71 1ykm s THR 95 N -0.75 0.00 0.19 0.02 -1.32 -0.45 -1.37 115.64 111.95 1ykm s THR 95 Ca -0.01 -1.61 -0.22 0.00 -1.21 0.00 0.00 61.69 58.65 1ykm s THR 95 Cb -0.07 -2.35 0.05 0.00 -1.51 0.00 0.00 72.50 68.63 1ykm s THR 95 CO 0.01 0.00 0.61 0.00 -2.21 0.00 0.00 174.62 173.03 1ykm s ALA 96 N -3.93 -1.44 -0.19 11.08 0.00 -1.26 -1.22 121.76 124.81 1ykm s ALA 96 Ca 0.28 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.45 1ykm s ALA 96 Cb 0.02 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1ykm s ALA 96 CO 0.11 -0.83 -0.06 0.95 0.00 0.00 0.00 175.76 175.94 1ykm s THR 97 N -3.80 3.46 0.49 0.00 -4.23 -1.02 -4.26 115.64 106.28 1ykm s THR 97 Ca 0.04 -0.49 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1ykm s THR 97 Cb -0.02 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.33 1ykm s THR 97 CO -0.08 0.46 0.36 0.35 -0.54 0.00 0.00 174.62 175.17 1ykm n THR 98 N 4.21 0.00 0.17 3.99 -2.24 0.84 -3.39 114.28 117.86 1ykm n THR 98 Ca -0.18 -1.95 0.05 0.00 -2.27 0.00 0.00 64.05 59.70 1ykm n THR 98 Cb 0.52 -0.06 0.22 0.00 -2.10 0.00 0.00 70.33 68.91 1ykm n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykm h PHE 99 N 0.66 0.00 0.00 4.78 0.04 -1.94 -2.86 116.94 117.63 1ykm h PHE 99 Ca -0.31 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.23 1ykm h PHE 99 Cb 1.13 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.25 1ykm h PHE 99 CO 0.00 0.40 -1.33 -0.44 -0.60 0.00 0.00 178.31 176.34 1ykm h ASP 100 N 0.00 0.00 -2.62 2.17 3.32 -1.95 -3.42 116.42 113.91 1ykm h ASP 100 Ca -0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1ykm h ASP 100 Cb 1.08 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.24 1ykm h ASP 100 CO 0.05 0.90 -0.83 0.00 -1.72 0.00 0.00 179.24 177.65 1ykm s ALA 101 N -2.71 0.79 -1.94 3.45 0.00 -1.19 -5.00 121.76 115.17 1ykm s ALA 101 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1ykm s ALA 101 Cb 0.09 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1ykm s ALA 101 CO 0.81 -1.98 0.69 0.41 0.00 0.00 0.00 175.76 175.70 1ykm n GLY 102 N 4.40 -0.60 3.10 0.00 0.00 -1.08 -0.11 105.19 110.90 1ykm n GLY 102 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.94 2.18 0.24 1.61 2.12 -1.26 -4.56 118.70 117.10 1ykm s GLU 103 Ca 0.00 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.64 1ykm s GLU 103 Cb 0.00 -1.73 -0.07 0.00 0.26 0.00 0.00 34.13 32.59 1ykm s GLU 103 CO 0.00 0.11 0.55 1.67 -0.54 0.00 0.00 175.26 177.05 1ykm s TRP 104 N 0.48 3.43 0.10 5.30 1.48 -0.61 -4.78 118.94 124.35 1ykm s TRP 104 Ca -0.15 0.84 0.07 0.00 -1.06 0.00 0.00 56.10 55.80 1ykm s TRP 104 Cb -0.16 -2.24 -0.03 0.00 -1.16 0.00 0.00 33.47 29.87 1ykm s TRP 104 CO 0.05 0.25 -0.17 0.95 -4.06 0.00 0.00 176.95 173.98 1ykm s THR 105 N -1.86 1.41 -0.13 0.66 -4.23 -1.26 -2.79 115.64 107.43 1ykm s THR 105 Ca 0.47 -1.53 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 1ykm s THR 105 Cb -0.11 -1.40 0.05 0.00 1.34 0.00 0.00 72.50 72.38 1ykm s THR 105 CO 0.22 -0.23 0.31 -0.22 -0.54 0.00 0.00 174.62 174.17 1ykm s LEU 106 N -2.05 0.14 -0.30 4.79 2.96 -0.19 -4.83 118.68 119.20 1ykm s LEU 106 Ca 0.05 0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 1ykm s LEU 106 Cb -0.08 0.98 0.02 0.00 0.50 0.00 0.00 46.19 47.61 1ykm s LEU 106 CO 0.03 -0.18 0.06 -1.00 -1.32 0.00 0.00 176.35 173.94 1ykm s HIS 107 N 1.44 3.17 0.11 5.38 3.76 -0.26 -0.71 115.29 128.18 1ykm s HIS 107 Ca -0.08 -1.27 -0.02 0.00 -0.15 0.00 0.00 55.06 53.54 1ykm s HIS 107 Cb -0.10 -2.22 0.01 0.00 1.11 0.00 0.00 32.58 31.38 1ykm s HIS 107 CO -0.10 -0.66 0.18 -2.37 -0.85 0.00 0.00 174.74 170.94 1ykm n THR 108 N 4.80 0.00 -4.24 1.30 5.66 -0.97 -1.43 114.28 119.40 1ykm n THR 108 Ca -0.14 -0.49 -0.23 0.00 -3.05 0.00 0.00 64.05 60.14 1ykm n THR 108 Cb 0.47 0.34 -0.06 0.00 -1.55 0.00 0.00 70.33 69.52 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 -2.60 3.63 0.01 1.08 -7.23 -1.26 -0.71 120.40 113.33 1ykm s VAL 109 Ca 0.08 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 1ykm s VAL 109 Cb -0.01 -2.98 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 1ykm s VAL 109 CO 0.06 -0.35 1.29 -0.75 -0.31 0.00 0.00 175.10 175.04 1ykm s LYS 110 N -3.73 4.35 0.51 4.82 2.20 -0.50 -4.84 119.74 122.55 1ykm s LYS 110 Ca 0.32 1.85 -0.21 0.00 -0.36 0.00 0.00 55.97 57.57 1ykm s LYS 110 Cb -0.06 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 1ykm s LYS 110 CO 0.21 -0.44 1.14 -1.25 -0.36 0.00 0.00 175.35 174.65 1ykm s PRO 111 N 1.84 3.50 0.79 4.03 0.04 -1.26 -4.15 135.00 139.78 1ykm s PRO 111 Ca 0.60 1.66 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 1ykm s PRO 111 Cb -0.30 -2.14 0.13 0.00 0.04 0.00 0.00 34.50 32.24 1ykm s PRO 111 CO 0.26 -0.74 1.10 0.20 0.04 0.00 0.00 177.00 177.86 1ykm s GLY 112 N -1.65 1.75 0.02 0.56 0.00 0.38 -4.74 107.32 103.65 1ykm s GLY 112 Ca 0.70 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 1ykm s GLY 112 CO 0.29 -0.77 1.03 0.14 0.00 0.00 0.00 173.10 173.80 1ykm s VAL 113 N -3.39 4.67 0.12 1.40 1.01 -1.26 -4.51 120.40 118.44 1ykm s VAL 113 Ca 0.67 1.92 0.10 0.00 0.00 0.00 0.00 61.98 64.67 1ykm s VAL 113 Cb -0.06 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1ykm s VAL 113 CO 0.47 0.15 -0.26 0.68 0.00 0.00 0.00 175.10 176.14 1ykm s VAL 114 N 1.01 2.14 0.28 2.92 -7.23 -1.26 -4.54 120.40 113.72 1ykm s VAL 114 Ca 0.54 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1ykm s VAL 114 Cb -0.23 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1ykm s VAL 114 CO 0.28 0.06 0.53 0.20 -0.31 0.00 0.00 175.10 175.86 1ykm s ASN 115 N -2.02 6.41 0.79 4.85 0.01 -1.26 -1.42 114.94 122.30 1ykm s ASN 115 Ca 0.12 0.63 -0.02 0.00 -0.71 0.00 0.00 52.86 52.89 1ykm s ASN 115 Cb -0.10 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.48 1ykm s ASN 115 CO 0.06 -0.19 0.20 -0.46 -1.51 0.00 0.00 177.10 175.20 1ykm n ASN 116 N -1.01 0.10 -0.07 -1.22 0.23 -0.55 -4.89 115.26 107.85 1ykm n ASN 116 Ca -0.02 -1.12 0.02 0.00 -0.53 0.00 0.00 54.58 52.92 1ykm n ASN 116 Cb 0.54 -0.15 0.34 0.00 -2.08 0.00 0.00 39.78 38.43 1ykm n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ykm h ALA 117 N -1.41 1.55 -0.04 -2.53 0.00 -2.00 -2.52 119.26 112.31 1ykm h ALA 117 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ykm h ALA 117 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ykm h ALA 117 CO 0.05 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1ykm n ALA 118 N -2.46 2.60 -0.80 0.00 0.00 -1.26 -4.91 120.51 113.69 1ykm n ALA 118 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ykm n ALA 118 Cb 0.09 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.96 0.69 3.70 0.00 0.00 -0.95 -5.05 105.19 104.54 1ykm n GLY 119 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.47 5.10 0.19 1.61 1.01 -1.26 -4.77 120.40 119.81 1ykm s VAL 120 Ca 0.00 1.14 -0.32 0.00 0.00 0.00 0.00 61.98 62.80 1ykm s VAL 120 Cb 0.00 -3.91 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1ykm s VAL 120 CO 0.00 0.23 1.66 -2.84 0.00 0.00 0.00 175.10 174.15 1ykm s PRO 121 N 1.11 4.16 0.11 2.72 0.02 -1.26 -1.48 135.00 140.39 1ykm s PRO 121 Ca 0.29 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.78 1ykm s PRO 121 Cb -0.16 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.20 1ykm s PRO 121 CO 0.12 -0.69 0.32 -1.64 -0.33 0.00 0.00 177.00 174.79 1ykm s MET 122 N 1.11 3.57 0.60 5.54 -1.94 -0.51 -4.50 119.30 123.16 1ykm s MET 122 Ca 0.72 -0.19 -0.17 0.00 -1.71 0.00 0.00 55.69 54.35 1ykm s MET 122 Cb -0.47 -2.92 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 1ykm s MET 122 CO 0.32 0.52 1.11 0.00 -0.01 0.00 0.00 175.02 176.96 1ykm s ALA 123 N -1.59 2.60 -0.22 3.03 0.00 -1.26 -4.16 121.76 120.16 1ykm s ALA 123 Ca 0.38 0.67 -0.36 0.00 0.00 0.00 0.00 51.96 52.66 1ykm s ALA 123 Cb -0.12 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 1ykm s ALA 123 CO 0.25 -0.99 1.94 -2.30 0.00 0.00 0.00 175.76 174.67 1ykm n PRO 124 N -1.83 1.61 -4.18 0.00 -0.02 -1.26 -4.90 135.00 124.42 1ykm n PRO 124 Ca 0.11 0.56 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1ykm n PRO 124 Cb 0.52 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 4.99 0.93 -0.12 6.00 -3.43 -1.26 -4.31 115.29 118.10 1ykm s HIS 125 Ca 0.99 -1.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.24 1ykm s HIS 125 Cb -0.82 -0.55 0.02 0.00 -1.43 0.00 0.00 32.58 29.80 1ykm s HIS 125 CO 0.54 -0.26 -0.11 0.42 -2.00 0.00 0.00 174.74 173.34 1ykm s ILE 126 N -3.74 1.26 -0.14 -5.38 1.01 -0.83 -4.59 121.20 108.79 1ykm s ILE 126 Ca 0.17 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 1ykm s ILE 126 Cb 0.06 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1ykm s ILE 126 CO -0.02 0.41 1.01 0.20 0.00 0.00 0.00 174.94 176.54 1ykm s ASN 127 N 1.51 7.19 0.03 3.58 0.01 -0.36 -1.06 114.94 125.84 1ykm s ASN 127 Ca 0.03 1.47 0.08 0.00 -0.71 0.00 0.00 52.86 53.73 1ykm s ASN 127 Cb -0.13 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 1ykm s ASN 127 CO -0.08 -0.50 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.15 1ykm s ILE 128 N 2.34 2.38 -0.14 0.60 1.01 0.20 -1.31 121.20 126.28 1ykm s ILE 128 Ca 0.47 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ykm s ILE 128 Cb -0.17 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.39 1ykm s ILE 128 CO 0.14 0.40 -0.11 -0.44 0.00 0.00 0.00 174.94 174.94 1ykm s SER 129 N -1.18 2.53 -0.23 3.58 0.01 -0.46 -0.99 113.70 116.96 1ykm s SER 129 Ca 0.12 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.86 1ykm s SER 129 Cb -0.10 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1ykm s SER 129 CO 0.02 -0.09 0.09 -0.22 0.41 0.00 0.00 173.24 173.45 1ykm s LEU 130 N 1.58 3.71 0.05 2.44 2.96 0.73 -1.93 118.68 128.21 1ykm s LEU 130 Ca 0.04 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1ykm s LEU 130 Cb -0.13 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1ykm s LEU 130 CO -0.09 0.04 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.39 1ykm s PHE 131 N 1.17 1.95 -0.04 5.38 0.40 0.38 -1.84 117.98 125.38 1ykm s PHE 131 Ca 0.05 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 55.68 1ykm s PHE 131 Cb -0.14 -1.16 0.13 0.00 0.51 0.00 0.00 43.02 42.35 1ykm s PHE 131 CO 0.04 0.10 1.34 0.00 0.70 0.00 0.00 175.22 177.40 1ykm s ALA 132 N -0.81 -2.33 0.25 5.36 0.00 -1.26 -0.05 121.76 122.92 1ykm s ALA 132 Ca 0.09 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 1ykm s ALA 132 Cb -0.09 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.25 1ykm s ALA 132 CO 0.02 -1.05 1.27 -0.98 0.00 0.00 0.00 175.76 175.01 1ykm s ARG 133 N -2.29 4.43 0.00 0.00 1.70 -1.26 -2.28 118.95 119.25 1ykm s ARG 133 Ca 0.14 2.05 0.00 0.00 -0.47 0.00 0.00 55.73 57.46 1ykm s ARG 133 Cb 0.06 -3.16 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 1ykm s ARG 133 CO -0.05 -0.14 0.00 0.41 -1.08 0.00 0.00 175.30 174.44 1ykm n GLY 134 N 1.66 1.68 3.26 3.88 0.00 -1.26 -4.99 105.19 109.42 1ykm n GLY 134 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.34 4.29 0.21 -0.61 1.01 -0.97 -4.97 121.20 117.82 1ykm s ILE 135 Ca 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.09 1ykm s ILE 135 Cb 0.00 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.82 1ykm s ILE 135 CO 0.00 -0.61 1.64 0.78 0.00 0.00 0.00 174.94 176.76 1ykm h ASN 136 N 8.45 0.84 -3.51 3.58 2.35 -1.90 -3.37 115.58 122.02 1ykm h ASN 136 Ca -0.23 -0.28 -0.37 0.00 -0.55 0.00 0.00 56.30 54.87 1ykm h ASN 136 Cb 1.08 -0.23 -0.34 0.00 0.05 0.00 0.00 38.32 38.89 1ykm h ASN 136 CO 0.80 1.00 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.31 1ykm s ILE 137 N -4.71 0.35 0.50 2.81 2.07 -1.26 -3.16 121.20 117.80 1ykm s ILE 137 Ca -0.10 -0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 58.90 1ykm s ILE 137 Cb 0.13 -0.40 -0.09 0.00 0.13 0.00 0.00 42.46 42.23 1ykm s ILE 137 CO 0.84 0.18 0.80 0.00 -1.91 0.00 0.00 174.94 174.85 1ykm n HIS 138 N 4.00 0.35 -3.64 3.50 1.44 -1.26 -5.00 115.22 114.62 1ykm n HIS 138 Ca -0.26 0.50 -0.36 0.00 -2.01 0.00 0.00 57.72 55.60 1ykm n HIS 138 Cb 0.51 -2.10 -0.08 0.00 0.12 0.00 0.00 29.99 28.44 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 -0.23 4.21 -0.21 2.39 1.43 -0.77 -4.89 118.68 120.62 1ykm s LEU 139 Ca 0.68 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 1ykm s LEU 139 Cb -0.50 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1ykm s LEU 139 CO 0.54 0.13 0.19 -1.00 0.23 0.00 0.00 176.35 176.44 1ykm s HIS 140 N 0.50 3.38 0.24 0.29 3.76 -1.26 -0.19 115.29 122.01 1ykm s HIS 140 Ca 0.11 0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 55.36 1ykm s HIS 140 Cb -0.12 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1ykm s HIS 140 CO 0.01 0.17 0.27 -0.08 -0.85 0.00 0.00 174.74 174.26 1ykm s THR 141 N 0.72 0.00 0.05 1.30 -1.32 -0.16 0.07 115.64 116.30 1ykm s THR 141 Ca 0.10 -1.82 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 1ykm s THR 141 Cb -0.13 -2.45 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 1ykm s THR 141 CO 0.02 0.00 -0.17 -0.13 -2.21 0.00 0.00 174.62 172.13 1ykm s ARG 142 N -3.92 1.08 -0.20 7.08 0.52 -1.26 -0.63 118.95 121.62 1ykm s ARG 142 Ca 0.34 -0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1ykm s ARG 142 Cb 0.04 -1.16 -0.01 0.00 0.52 0.00 0.00 34.95 34.33 1ykm s ARG 142 CO 0.14 0.29 -0.04 -1.17 0.02 0.00 0.00 175.30 174.53 1ykm s LEU 143 N -1.32 2.97 0.38 2.53 0.20 -0.22 -4.74 118.68 118.47 1ykm s LEU 143 Ca 0.04 -0.33 0.08 0.00 0.69 0.00 0.00 54.13 54.61 1ykm s LEU 143 Cb -0.09 -1.74 -0.05 0.00 -0.43 0.00 0.00 46.19 43.88 1ykm s LEU 143 CO 0.02 0.03 0.16 -0.31 -0.29 0.00 0.00 176.35 175.96 1ykm s TYR 144 N 1.16 2.64 -0.03 5.38 1.51 0.10 -1.96 117.35 126.15 1ykm s TYR 144 Ca 0.02 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1ykm s TYR 144 Cb -0.14 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1ykm s TYR 144 CO -0.01 0.26 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.51 1ykm s PHE 145 N -2.52 2.75 0.04 2.71 0.40 -1.26 -0.44 117.98 119.65 1ykm s PHE 145 Ca 0.39 -0.12 0.32 0.00 -0.60 0.00 0.00 56.93 56.92 1ykm s PHE 145 Cb 0.01 -1.62 1.22 0.00 0.51 0.00 0.00 43.02 43.14 1ykm s PHE 145 CO 0.22 0.24 1.93 0.38 0.70 0.00 0.00 175.22 178.70 1ykm h ASP 146 N 5.11 0.00 -0.26 1.36 2.03 -1.80 -3.04 116.42 119.82 1ykm h ASP 146 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1ykm h ASP 146 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1ykm h ASP 146 CO 0.51 0.02 0.00 -0.90 -1.03 0.00 0.00 179.24 177.83 1ykm n ASP 147 N -3.11 1.88 -1.32 4.15 5.75 -1.26 -3.82 116.55 118.82 1ykm n ASP 147 Ca 0.01 -1.83 -0.09 0.00 -0.01 0.00 0.00 54.79 52.87 1ykm n ASP 147 Cb 0.34 -0.17 0.13 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.48 2.46 -0.33 0.11 -0.58 -1.15 -4.87 120.64 116.76 1ykm n GLU 148 Ca 0.15 -3.62 0.25 0.00 -0.42 0.00 0.00 57.16 53.52 1ykm n GLU 148 Cb 0.34 -1.94 0.54 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 1.50 2.35 -0.40 0.62 0.00 -1.76 -1.36 119.26 120.21 1ykm h ALA 149 Ca 0.21 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1ykm h ALA 149 Cb 1.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1ykm h ALA 149 CO 0.43 -0.77 -0.26 0.37 0.00 0.00 0.00 179.25 179.02 1ykm h GLN 150 N 0.33 0.83 0.00 0.00 4.15 -1.94 -2.69 115.11 115.79 1ykm h GLN 150 Ca 0.61 -0.36 -0.22 0.00 0.77 0.00 0.00 58.65 59.45 1ykm h GLN 150 Cb 1.67 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.30 1ykm h GLN 150 CO -0.29 0.99 -1.08 0.00 -1.93 0.00 0.00 178.83 176.53 1ykm h ALA 151 N 0.99 0.42 -0.07 3.38 0.00 -1.70 -3.31 119.26 118.97 1ykm h ALA 151 Ca 0.09 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 1ykm h ALA 151 Cb 0.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ykm h ALA 151 CO 0.07 1.27 -0.35 -0.91 0.00 0.00 0.00 179.25 179.32 1ykm h ASN 152 N 0.00 0.14 1.41 0.00 2.35 -1.25 -2.25 115.58 115.98 1ykm h ASN 152 Ca -0.05 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1ykm h ASN 152 Cb 1.79 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.12 1ykm h ASN 152 CO 0.12 0.49 0.00 0.00 -1.65 0.00 0.00 177.43 176.39 1ykm h ALA 153 N 1.52 1.00 -0.03 -0.83 0.00 -1.57 -3.27 119.26 116.09 1ykm h ALA 153 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ykm h ALA 153 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ykm h ALA 153 CO 0.05 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.93 1ykm n LYS 154 N -2.39 0.51 -2.12 0.00 5.02 -1.03 -4.97 118.16 113.19 1ykm n LYS 154 Ca 0.05 -1.14 -0.42 0.00 -2.02 0.00 0.00 58.31 54.78 1ykm n LYS 154 Cb 0.41 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1ykm n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykm h PRO 156 N 7.13 0.09 0.17 0.00 0.11 -1.92 -1.94 132.00 135.63 1ykm h PRO 156 Ca -0.42 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 1ykm h PRO 156 Cb 1.20 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.33 1ykm h PRO 156 CO 0.88 0.32 -1.14 0.28 -0.21 0.00 0.00 178.00 178.13 1ykm h VAL 157 N 0.09 1.37 -0.01 3.15 2.07 -1.95 -3.24 116.25 117.72 1ykm h VAL 157 Ca 0.02 -2.53 -0.11 0.00 0.82 0.00 0.00 66.70 64.89 1ykm h VAL 157 Cb 0.45 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1ykm h VAL 157 CO 0.03 0.75 -0.50 0.25 0.02 0.00 0.00 177.57 178.12 1ykm h LEU 158 N -0.01 0.04 0.00 2.57 5.85 -1.89 -2.74 115.31 119.13 1ykm h LEU 158 Ca -0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1ykm h LEU 158 Cb 1.87 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1ykm h LEU 158 CO 0.22 0.53 0.00 0.59 -0.34 0.00 0.00 178.44 179.44 1ykm n ASN 159 N -3.95 0.00 0.19 1.25 3.02 -0.74 -2.99 115.26 112.05 1ykm n ASN 159 Ca -0.02 -0.16 0.10 0.00 -0.03 0.00 0.00 54.58 54.48 1ykm n ASN 159 Cb 0.52 -0.27 0.12 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 0.00 -8.74 3.41 3.38 -1.51 -3.43 115.31 108.42 1ykm h LEU 160 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1ykm h LEU 160 Cb 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1ykm h LEU 160 CO 0.00 0.08 0.99 -0.63 0.09 0.00 0.00 178.44 178.97 1ykm s ILE 161 N -3.19 4.07 0.13 1.22 1.01 -1.16 -4.94 121.20 118.33 1ykm s ILE 161 Ca 0.05 1.08 -0.32 0.00 0.00 0.00 0.00 60.65 61.46 1ykm s ILE 161 Cb 0.06 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 1ykm s ILE 161 CO 0.70 -0.92 1.55 -0.33 0.00 0.00 0.00 174.94 175.94 1ykm h GLU 162 N 9.89 -0.39 -5.85 2.79 5.08 -1.89 -3.41 114.58 120.80 1ykm h GLU 162 Ca -0.25 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.55 1ykm h GLU 162 Cb 1.08 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1ykm h GLU 162 CO 1.11 -0.26 0.34 -0.65 -1.00 0.00 0.00 179.01 178.56 1ykm s GLN 163 N -5.69 4.26 0.54 2.33 -1.52 -1.26 -4.97 119.66 113.35 1ykm s GLN 163 Ca -0.14 0.91 0.24 0.00 -1.95 0.00 0.00 55.36 54.41 1ykm s GLN 163 Cb 0.09 -3.59 1.40 0.00 -0.22 0.00 0.00 33.01 30.69 1ykm s GLN 163 CO 0.62 -0.34 2.04 -1.35 -0.25 0.00 0.00 175.29 176.01 1ykm h PRO 164 N 7.43 0.00 0.00 2.91 0.11 -1.99 -2.45 132.00 138.02 1ykm h PRO 164 Ca -0.29 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1ykm h PRO 164 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ykm h PRO 164 CO 0.83 0.00 -0.32 1.96 -0.21 0.00 0.00 178.00 180.25 1ykm h GLN 165 N 0.00 0.00 0.00 1.05 7.50 -1.96 -2.69 115.11 119.01 1ykm h GLN 165 Ca 0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1ykm h GLN 165 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.26 1ykm h GLN 165 CO -0.00 0.32 -0.22 0.00 -1.50 0.00 0.00 178.83 177.43 1ykm h ARG 166 N 0.00 0.00 0.00 1.46 3.08 -1.84 -3.25 114.38 113.83 1ykm h ARG 166 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1ykm h ARG 166 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1ykm h ARG 166 CO 0.04 0.00 -0.53 0.00 -1.07 0.00 0.00 179.97 178.41 1ykm h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.53 -3.13 114.38 112.83 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 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1ykm h ARG 167 CO 0.00 0.53 -0.13 0.93 -1.07 0.00 0.00 179.97 180.24 1ykm h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.61 -2.79 114.58 115.30 1ykm h GLU 168 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ykm h GLU 168 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ykm h GLU 168 CO 0.07 0.13 -0.08 1.79 -1.00 0.00 0.00 179.01 179.91 1ykm h THR 169 N 0.00 0.23 -0.02 1.13 1.35 -1.73 -2.72 112.91 111.16 1ykm h THR 169 Ca -0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ykm h THR 169 Cb 0.32 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1ykm h THR 169 CO 0.02 0.08 -0.02 0.18 -0.25 0.00 0.00 175.52 175.53 1ykm n LEU 170 N -3.24 1.92 -4.56 3.87 4.77 -1.05 -4.85 117.00 113.86 1ykm n LEU 170 Ca 0.00 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.95 1ykm n LEU 170 Cb 0.33 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1ykm n LEU 170 CO 0.29 0.32 -0.06 -0.63 -1.33 0.00 0.00 177.39 175.99 1ykm s ILE 171 N -2.03 5.24 0.05 -0.08 1.01 -1.03 0.02 121.20 124.38 1ykm s ILE 171 Ca 0.34 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.80 1ykm s ILE 171 Cb 0.21 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1ykm s ILE 171 CO 0.34 0.05 0.81 0.00 0.00 0.00 0.00 174.94 176.14 1ykm s ALA 172 N 1.88 3.33 -0.03 9.38 0.00 0.41 -4.90 121.76 131.83 1ykm s ALA 172 Ca 0.09 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 1ykm s ALA 172 Cb -0.17 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1ykm s ALA 172 CO 0.11 0.02 0.77 0.15 0.00 0.00 0.00 175.76 176.80 1ykm s LYS 173 N 0.07 4.47 0.13 0.00 1.02 -0.76 -2.27 119.74 122.41 1ykm s LYS 173 Ca 0.41 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 1ykm s LYS 173 Cb -0.21 -3.43 -0.07 0.00 -0.52 0.00 0.00 37.83 33.61 1ykm s LYS 173 CO 0.24 0.09 1.04 0.50 -0.92 0.00 0.00 175.35 176.31 1ykm s ARG 174 N 0.65 4.63 0.18 1.68 3.52 -1.26 -0.69 118.95 127.65 1ykm s ARG 174 Ca 0.40 1.59 -0.01 0.00 -0.13 0.00 0.00 55.73 57.58 1ykm s ARG 174 Cb -0.19 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1ykm s ARG 174 CO 0.21 0.11 0.26 0.00 -0.81 0.00 0.00 175.30 175.07 1ykm s GLU 176 N -2.37 0.70 -0.27 0.00 2.02 -1.26 -1.48 118.70 116.04 1ykm s GLU 176 Ca 0.14 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.09 1ykm s GLU 176 Cb -0.01 -0.76 0.07 0.00 0.10 0.00 0.00 34.13 33.54 1ykm s GLU 176 CO 0.10 -0.10 -0.05 0.08 0.02 0.00 0.00 175.26 175.31 1ykm s VAL 177 N 0.95 1.92 -1.43 2.63 1.01 -0.97 -4.81 120.40 119.69 1ykm s VAL 177 Ca -0.11 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.16 1ykm s VAL 177 Cb -0.14 -2.16 0.05 0.00 0.00 0.00 0.00 36.38 34.12 1ykm s VAL 177 CO -0.00 -0.18 1.03 0.47 0.00 0.00 0.00 175.10 176.42 1ykm n ASP 178 N 4.50 -4.86 0.00 3.32 8.00 -1.26 -2.41 116.55 123.84 1ykm n ASP 178 Ca -0.10 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1ykm n ASP 178 Cb 0.43 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 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 -1.76 0.85 3.77 0.44 0.00 -1.26 -5.03 105.19 102.20 1ykm n GLY 179 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 3.14 -0.03 1.61 2.47 -1.01 -5.08 119.74 120.75 1ykm s LYS 180 Ca 0.00 -0.36 -0.30 0.00 -1.56 0.00 0.00 55.97 53.75 1ykm s LYS 180 Cb 0.00 -2.93 -0.05 0.00 -1.46 0.00 0.00 37.83 33.39 1ykm s LYS 180 CO 0.00 0.70 1.46 0.99 0.16 0.00 0.00 175.35 178.66 1ykm s THR 181 N -1.04 3.71 0.03 3.43 2.01 -1.26 -2.30 115.64 120.22 1ykm s THR 181 Ca 0.17 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.23 1ykm s THR 181 Cb -0.12 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1ykm s THR 181 CO 0.07 -0.04 -0.11 0.00 -0.69 0.00 0.00 174.62 173.85 1ykm s ALA 182 N 2.96 0.94 -0.08 7.40 0.00 -0.55 -1.07 121.76 131.36 1ykm s ALA 182 Ca 0.66 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1ykm s ALA 182 Cb -0.31 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1ykm s ALA 182 CO 0.26 0.15 -0.19 0.71 0.00 0.00 0.00 175.76 176.69 1ykm s TYR 183 N -0.85 2.08 -0.23 0.00 1.51 -0.36 0.05 117.35 119.55 1ykm s TYR 183 Ca -0.01 -0.78 -0.11 0.00 -1.01 0.00 0.00 57.07 55.16 1ykm s TYR 183 Cb -0.07 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.31 1ykm s TYR 183 CO 0.01 -0.32 0.16 0.50 -1.11 0.00 0.00 175.55 174.78 1ykm s ARG 184 N 0.37 4.10 -0.31 -0.62 3.52 0.13 -1.92 118.95 124.23 1ykm s ARG 184 Ca -0.14 -0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1ykm s ARG 184 Cb -0.16 -3.51 0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1ykm s ARG 184 CO 0.06 0.12 0.10 0.12 -0.81 0.00 0.00 175.30 174.88 1ykm s PHE 185 N 0.89 1.62 -0.02 5.12 5.36 0.11 -1.83 117.98 129.24 1ykm s PHE 185 Ca 0.08 -1.67 -0.17 0.00 -0.96 0.00 0.00 56.93 54.22 1ykm s PHE 185 Cb -0.13 -1.65 -0.05 0.00 -0.34 0.00 0.00 43.02 40.84 1ykm s PHE 185 CO 0.03 -0.87 0.46 -0.51 -1.46 0.00 0.00 175.22 172.87 1ykm s ASP 186 N 1.65 6.82 -0.22 6.13 1.01 -1.26 -4.03 116.67 126.77 1ykm s ASP 186 Ca 0.09 0.98 -0.06 0.00 0.71 0.00 0.00 52.55 54.28 1ykm s ASP 186 Cb -0.17 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1ykm s ASP 186 CO -0.25 0.23 0.02 -0.63 0.21 0.00 0.00 175.17 174.74 1ykm s ILE 187 N -0.61 3.98 -0.38 0.77 1.01 -0.54 -4.97 121.20 120.47 1ykm s ILE 187 Ca 0.25 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1ykm s ILE 187 Cb -0.17 -2.82 0.08 0.00 0.01 0.00 0.00 42.46 39.55 1ykm s ILE 187 CO 0.14 0.40 0.16 -0.13 0.00 0.00 0.00 174.94 175.50 1ykm s ARG 188 N 1.30 2.36 0.20 2.79 0.52 -1.26 -0.61 118.95 124.25 1ykm s ARG 188 Ca 0.04 -1.50 -0.09 0.00 -0.52 0.00 0.00 55.73 53.66 1ykm s ARG 188 Cb -0.15 -3.53 0.12 0.00 0.52 0.00 0.00 34.95 31.91 1ykm s ARG 188 CO 0.01 -0.88 1.73 0.82 0.02 0.00 0.00 175.30 177.01 1ykm h ILE 189 N 6.28 1.26 -3.75 1.52 2.04 -1.71 0.78 117.51 123.91 1ykm h ILE 189 Ca -0.19 -0.88 -0.15 0.00 1.00 0.00 0.00 64.86 64.64 1ykm h ILE 189 Cb 1.07 0.49 -0.20 0.00 -0.74 0.00 0.00 36.82 37.44 1ykm h ILE 189 CO 0.66 0.34 -0.57 -1.58 0.00 0.00 0.00 178.15 177.01 1ykm s GLN 190 N -5.42 0.47 1.42 2.37 0.74 -1.26 -4.73 119.66 113.25 1ykm s GLN 190 Ca -0.12 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1ykm s GLN 190 Cb 0.15 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1ykm s GLN 190 CO 0.83 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.88 1ykm n GLY 191 N 1.25 0.12 3.68 2.59 0.00 -1.26 -4.14 105.19 107.42 1ykm n GLY 191 Ca -0.22 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 4.18 -0.45 1.61 2.12 -1.26 -2.38 118.70 122.52 1ykm s GLU 192 Ca 0.00 2.35 0.00 0.00 0.36 0.00 0.00 54.97 57.68 1ykm s GLU 192 Cb 0.00 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1ykm s GLU 192 CO 0.00 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 1ykm n GLY 193 N 4.13 0.38 3.66 -1.50 0.00 -1.26 -4.97 105.19 105.62 1ykm n GLY 193 Ca 0.17 -0.74 -0.47 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.96 1.97 -2.25 1.61 2.13 -1.00 -4.64 120.64 116.50 1ykm n GLU 194 Ca -0.05 0.71 -0.39 0.00 0.66 0.00 0.00 57.16 58.09 1ykm n GLU 194 Cb 0.41 -2.46 -0.02 0.00 0.27 0.00 0.00 31.44 29.63 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 1.02 3.03 0.02 6.31 2.01 0.27 -4.94 115.64 123.35 1ykm s THR 195 Ca 0.81 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 1ykm s THR 195 Cb -0.73 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1ykm s THR 195 CO 0.40 0.15 1.25 -0.69 -0.69 0.00 0.00 174.62 175.05 1ykm s VAL 196 N -1.29 3.98 -0.02 3.82 1.01 -1.26 -4.94 120.40 121.70 1ykm s VAL 196 Ca 0.53 1.38 0.05 0.00 0.00 0.00 0.00 61.98 63.94 1ykm s VAL 196 Cb -0.34 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1ykm s VAL 196 CO 0.44 0.05 -0.16 -0.36 0.00 0.00 0.00 175.10 175.07 1ykm s PHE 197 N 1.66 2.63 0.32 5.22 0.08 -1.26 -4.68 117.98 121.94 1ykm s PHE 197 Ca 0.59 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 57.50 1ykm s PHE 197 Cb -0.29 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1ykm s PHE 197 CO 0.27 0.19 0.31 -0.06 -0.10 0.00 0.00 175.22 175.82 1ykm s PHE 198 N -0.78 3.01 -0.03 0.36 0.08 0.11 -4.98 117.98 115.74 1ykm s PHE 198 Ca 0.12 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1ykm s PHE 198 Cb -0.11 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1ykm s PHE 198 CO 0.02 0.23 -0.04 0.34 -0.10 0.00 0.00 175.22 175.66 1ykm s ASP 199 N -4.00 0.80 0.00 1.36 3.68 -1.26 -4.28 116.67 112.98 1ykm s ASP 199 Ca 0.40 -0.11 0.00 0.00 2.13 0.00 0.00 52.55 54.97 1ykm s ASP 199 Cb -0.07 -0.34 0.00 0.00 -1.45 0.00 0.00 42.92 41.06 1ykm s ASP 199 CO 0.27 -0.03 0.00 2.22 0.13 0.00 0.00 175.17 177.76