#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykk s ILE 2 N 0.00 4.36 -0.20 4.25 -1.09 -1.26 -5.01 121.20 122.25 1ykk s ILE 2 Ca 0.00 1.53 -0.06 0.00 -2.23 0.00 0.00 60.65 59.89 1ykk s ILE 2 Cb 0.00 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 1ykk s ILE 2 CO 0.00 -0.60 0.02 -1.61 -1.23 0.00 0.00 174.94 171.52 1ykk s GLU 3 N 3.95 3.67 0.56 2.79 0.41 -1.26 -5.11 118.70 123.71 1ykk s GLU 3 Ca 0.48 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 1ykk s GLU 3 Cb -0.12 -3.13 0.11 0.00 -1.78 0.00 0.00 34.13 29.21 1ykk s GLU 3 CO 0.21 0.02 0.76 1.28 -0.49 0.00 0.00 175.26 177.04 1ykk n LEU 4 N 4.24 0.00 -4.73 1.80 4.32 -1.26 -5.04 117.00 116.33 1ykk n LEU 4 Ca -0.17 -1.65 -0.42 0.00 -0.02 0.00 0.00 56.01 53.76 1ykk n LEU 4 Cb 0.52 -0.49 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 1ykk n LEU 4 CO 0.32 -0.87 1.07 -0.76 -1.22 0.00 0.00 177.39 175.93 1ykk s LEU 5 N 0.00 4.39 0.42 2.23 1.43 -1.26 -4.96 118.68 120.93 1ykk s LEU 5 Ca 0.51 2.51 -0.24 0.00 -1.03 0.00 0.00 54.13 55.87 1ykk s LEU 5 Cb -0.03 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 1ykk s LEU 5 CO 0.34 -0.65 1.18 -2.84 0.23 0.00 0.00 176.35 174.60 1ykk s PRO 6 N 0.18 3.94 0.44 1.29 0.02 -1.26 -5.00 135.00 134.62 1ykk s PRO 6 Ca 0.61 1.83 -0.24 0.00 0.02 0.00 0.00 61.00 63.22 1ykk s PRO 6 Cb -0.39 -2.58 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 1ykk s PRO 6 CO 0.38 -0.41 1.18 -2.00 -0.33 0.00 0.00 177.00 175.82 1ykk s GLU 7 N -2.44 3.83 0.11 5.54 2.12 -1.26 -4.94 118.70 121.65 1ykk s GLU 7 Ca 0.59 1.84 -0.31 0.00 0.36 0.00 0.00 54.97 57.45 1ykk s GLU 7 Cb -0.30 -2.50 -0.10 0.00 0.26 0.00 0.00 34.13 31.49 1ykk s GLU 7 CO 0.38 -0.51 1.75 0.99 -0.54 0.00 0.00 175.26 177.33 1ykk s THR 8 N -1.48 2.72 0.33 -1.70 2.01 -1.26 -4.92 115.64 111.34 1ykk s THR 8 Ca 0.62 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.55 1ykk s THR 8 Cb -0.30 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 68.95 1ykk s THR 8 CO 0.37 0.00 1.52 -2.84 -0.69 0.00 0.00 174.62 172.99 1ykk s PRO 9 N 2.63 4.13 0.58 4.92 0.02 -1.26 -5.00 135.00 141.02 1ykk s PRO 9 Ca 0.78 2.55 -0.16 0.00 0.02 0.00 0.00 61.00 64.18 1ykk s PRO 9 Cb -0.44 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 1ykk s PRO 9 CO 0.35 -0.56 1.05 0.45 -0.33 0.00 0.00 177.00 177.96 1ykk s SER 10 N 0.15 5.90 0.08 2.53 0.15 -1.26 -5.07 113.70 116.18 1ykk s SER 10 Ca 0.58 1.81 -0.01 0.00 0.70 0.00 0.00 55.95 59.03 1ykk s SER 10 Cb -0.47 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.27 1ykk s SER 10 CO 0.55 -1.08 -0.01 -1.10 1.20 0.00 0.00 173.24 172.80 1ykk s GLN 11 N -3.99 0.72 0.65 5.44 -1.52 -1.19 -4.88 119.66 114.89 1ykk s GLN 11 Ca 0.64 -1.29 -0.18 0.00 -1.95 0.00 0.00 55.36 52.57 1ykk s GLN 11 Cb -0.16 0.18 -0.01 0.00 -0.22 0.00 0.00 33.01 32.81 1ykk s GLN 11 CO 0.35 -0.15 1.29 -0.08 -0.25 0.00 0.00 175.29 176.45 1ykk s THR 12 N -3.93 2.07 0.24 -0.19 -1.32 -1.22 -4.75 115.64 106.53 1ykk s THR 12 Ca 0.12 0.04 0.27 0.00 -1.21 0.00 0.00 61.69 60.91 1ykk s THR 12 Cb 0.08 -2.99 0.28 0.00 -1.51 0.00 0.00 72.50 68.36 1ykk s THR 12 CO -0.06 -0.01 1.94 0.00 -2.21 0.00 0.00 174.62 174.28 1ykk h ALA 13 N 0.49 1.10 0.00 11.08 0.00 -1.74 -3.49 119.26 126.70 1ykk h ALA 13 Ca -0.51 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ykk h ALA 13 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ykk h ALA 13 CO 0.53 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1ykk n GLY 14 N -0.17 -1.22 0.29 0.00 0.00 -1.26 -4.07 105.19 98.77 1ykk n GLY 14 Ca -0.01 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.60 1ykk n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykk h PRO 15 N 0.00 0.00 -0.63 1.61 0.13 -1.93 -3.16 132.00 128.01 1ykk h PRO 15 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 1ykk h PRO 15 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 1ykk h PRO 15 CO 0.00 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 178.42 1ykk n TYR 16 N -3.04 2.07 0.15 1.56 4.01 -1.26 -4.72 117.16 115.93 1ykk n TYR 16 Ca -0.01 -2.06 0.06 0.00 -0.16 0.00 0.00 57.90 55.74 1ykk n TYR 16 Cb 0.21 -0.69 0.55 0.00 -0.31 0.00 0.00 39.34 39.10 1ykk n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykk h VAL 17 N 1.28 1.04 -0.82 -0.72 3.04 -1.69 -3.08 116.25 115.31 1ykk h VAL 17 Ca 0.37 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.97 1ykk h VAL 17 Cb 1.57 0.79 -0.04 0.00 -2.01 0.00 0.00 31.29 31.61 1ykk h VAL 17 CO 0.78 0.04 0.46 0.45 -1.01 0.00 0.00 177.57 178.29 1ykk h HIS 18 N 0.23 1.11 -0.03 3.17 3.86 -1.84 -1.71 115.15 119.93 1ykk h HIS 18 Ca 0.06 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1ykk h HIS 18 Cb -0.02 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.09 1ykk h HIS 18 CO -0.00 0.76 0.10 -0.84 0.86 0.00 0.00 177.93 178.82 1ykk h ILE 19 N 1.13 0.17 0.00 2.45 3.07 -1.75 0.24 117.51 122.82 1ykk h ILE 19 Ca 0.29 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 66.52 1ykk h ILE 19 Cb 0.01 0.91 -0.03 0.00 -0.27 0.00 0.00 36.82 37.43 1ykk h ILE 19 CO -0.05 0.00 -1.78 0.61 -1.05 0.00 0.00 178.15 175.88 1ykk n GLY 20 N -1.20 -0.59 0.00 0.16 0.00 -1.05 -4.65 105.19 97.85 1ykk n GLY 20 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ykk n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykk n LEU 21 N -2.36 0.22 -2.97 0.99 4.77 -0.67 -4.82 117.00 112.16 1ykk n LEU 21 Ca -0.17 -0.60 -0.15 0.00 -0.03 0.00 0.00 56.01 55.06 1ykk n LEU 21 Cb 0.79 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1ykk n LEU 21 CO 0.26 0.06 -0.02 0.00 -1.33 0.00 0.00 177.39 176.35 1ykk n ALA 22 N -0.76 0.58 -0.23 -1.18 0.00 0.81 -4.97 120.51 114.77 1ykk n ALA 22 Ca 0.00 -2.44 0.07 0.00 0.00 0.00 0.00 53.44 51.08 1ykk n ALA 22 Cb 0.00 -1.06 0.33 0.00 0.00 0.00 0.00 19.45 18.72 1ykk n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykk h LEU 23 N 3.68 0.72 -0.18 0.00 4.07 -1.75 -1.55 115.31 120.29 1ykk h LEU 23 Ca -0.02 0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.74 1ykk h LEU 23 Cb 0.98 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.59 1ykk h LEU 23 CO 0.37 0.44 -0.71 -0.08 -1.08 0.00 0.00 178.44 177.39 1ykk h GLU 24 N 0.80 0.81 0.00 1.13 4.81 -1.88 -1.64 114.58 118.61 1ykk h GLU 24 Ca 0.36 -0.62 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1ykk h GLU 24 Cb 0.35 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ykk h GLU 24 CO -0.14 1.23 -0.34 0.00 -0.73 0.00 0.00 179.01 179.04 1ykk h ALA 25 N 0.58 1.40 0.27 2.92 0.00 -1.84 -3.06 119.26 119.52 1ykk h ALA 25 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ykk h ALA 25 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ykk h ALA 25 CO 0.15 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.69 1ykk h ALA 26 N 1.66 -0.37 0.00 0.00 0.00 -1.22 -3.48 119.26 115.85 1ykk h ALA 26 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ykk h ALA 26 Cb 0.62 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ykk h ALA 26 CO 0.04 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1ykk n GLY 27 N 0.66 1.38 3.93 0.00 0.00 -0.68 -5.08 105.19 105.40 1ykk n GLY 27 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1ykk n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykk s ASN 28 N -1.59 6.36 0.20 1.61 0.01 -0.79 -5.04 114.94 115.70 1ykk s ASN 28 Ca 0.00 0.43 -0.32 0.00 -0.71 0.00 0.00 52.86 52.26 1ykk s ASN 28 Cb 0.00 -2.02 -0.11 0.00 0.41 0.00 0.00 41.25 39.53 1ykk s ASN 28 CO 0.00 -0.13 1.68 -2.16 -1.51 0.00 0.00 177.10 174.97 1ykk s PRO 29 N -3.67 4.15 0.41 -0.60 0.04 -1.26 -4.44 135.00 129.62 1ykk s PRO 29 Ca 0.39 2.54 -0.10 0.00 0.04 0.00 0.00 61.00 63.87 1ykk s PRO 29 Cb -0.10 -3.09 -0.06 0.00 0.04 0.00 0.00 34.50 31.28 1ykk s PRO 29 CO 0.31 -0.71 0.77 0.95 0.04 0.00 0.00 177.00 178.36 1ykk s THR 30 N 1.12 4.79 0.83 1.26 -4.23 -1.26 -4.98 115.64 113.16 1ykk s THR 30 Ca 0.73 0.61 -0.08 0.00 -1.18 0.00 0.00 61.69 61.78 1ykk s THR 30 Cb -0.48 -3.73 0.16 0.00 1.34 0.00 0.00 72.50 69.79 1ykk s THR 30 CO 0.32 -0.52 1.14 -0.13 -0.54 0.00 0.00 174.62 174.89 1ykk s ARG 31 N -3.86 1.20 0.10 3.99 0.52 -1.26 -5.02 118.95 114.62 1ykk s ARG 31 Ca 0.51 -0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 54.64 1ykk s ARG 31 Cb -0.10 -2.11 -0.13 0.00 0.52 0.00 0.00 34.95 33.13 1ykk s ARG 31 CO 0.32 -1.89 1.67 -0.44 0.02 0.00 0.00 175.30 174.98 1ykk h ASP 32 N -1.03 -0.47 -3.26 0.23 3.32 -2.07 -3.41 116.42 109.73 1ykk h ASP 32 Ca -0.40 0.04 -0.66 0.00 0.02 0.00 0.00 57.03 56.03 1ykk h ASP 32 Cb 1.25 0.16 -0.31 0.00 0.22 0.00 0.00 39.33 40.65 1ykk h ASP 32 CO 0.39 -0.27 -0.78 -1.10 -1.72 0.00 0.00 179.24 175.75 1ykk s GLN 33 N -6.11 3.17 0.06 3.56 -0.21 -1.26 -5.11 119.66 113.76 1ykk s GLN 33 Ca -0.15 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.56 1ykk s GLN 33 Cb 0.06 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.23 1ykk s GLN 33 CO 0.65 -0.22 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.19 1ykk s GLU 34 N 1.39 1.26 -0.58 2.91 0.41 -1.26 -5.11 118.70 117.72 1ykk s GLU 34 Ca 0.05 -0.99 -0.20 0.00 -0.41 0.00 0.00 54.97 53.42 1ykk s GLU 34 Cb -0.14 -1.41 0.07 0.00 -1.78 0.00 0.00 34.13 30.88 1ykk s GLU 34 CO -0.08 0.35 0.77 0.42 -0.49 0.00 0.00 175.26 176.24 1ykk s ILE 35 N -0.91 4.66 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.05 1ykk s ILE 35 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1ykk s ILE 35 Cb -0.09 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.89 1ykk s ILE 35 CO 0.02 -1.11 0.00 1.87 0.00 0.00 0.00 174.94 175.72 1ykk n TRP 36 N 6.76 0.00 1.46 3.97 -0.00 -1.26 -4.41 117.44 123.96 1ykk n TRP 36 Ca -0.06 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.48 1ykk n TRP 36 Cb 0.45 0.00 0.15 0.00 -0.00 0.00 0.00 31.31 31.90 1ykk n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykk n ASN 37 N 0.00 0.94 -4.28 5.87 6.94 -0.80 -1.99 115.26 121.94 1ykk n ASN 37 Ca 0.00 -1.92 -0.44 0.00 -0.02 0.00 0.00 54.58 52.20 1ykk n ASN 37 Cb 0.00 -0.11 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 1ykk n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykk s ARG 38 N -1.78 3.55 0.13 -3.83 3.52 -1.26 -1.45 118.95 117.82 1ykk s ARG 38 Ca 0.15 -2.69 0.07 0.00 -0.13 0.00 0.00 55.73 53.13 1ykk s ARG 38 Cb 0.08 -4.32 -0.18 0.00 -1.56 0.00 0.00 34.95 28.97 1ykk s ARG 38 CO 0.11 -1.26 1.30 -0.07 -0.81 0.00 0.00 175.30 174.57 1ykk h LEU 39 N 7.31 0.02 -8.20 -0.88 4.07 -1.50 -3.46 115.31 112.68 1ykk h LEU 39 Ca 0.11 -0.02 -0.57 0.00 0.08 0.00 0.00 57.88 57.48 1ykk h LEU 39 Cb 0.98 -0.01 -0.32 0.00 1.08 0.00 0.00 40.66 42.39 1ykk h LEU 39 CO 0.80 0.99 -0.84 0.00 -1.08 0.00 0.00 178.44 178.31 1ykk s ALA 40 N -2.77 1.56 0.42 1.53 0.00 -1.20 -0.60 121.76 120.71 1ykk s ALA 40 Ca 0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 1ykk s ALA 40 Cb 0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 1ykk s ALA 40 CO 0.82 0.25 0.86 0.15 0.00 0.00 0.00 175.76 177.84 1ykk s LYS 41 N 0.20 3.99 0.63 0.00 1.02 -0.40 -4.81 119.74 120.37 1ykk s LYS 41 Ca -0.08 0.81 0.26 0.00 0.02 0.00 0.00 55.97 56.98 1ykk s LYS 41 Cb -0.13 -2.28 1.35 0.00 -0.52 0.00 0.00 37.83 36.25 1ykk s LYS 41 CO 0.03 -0.05 1.77 -1.35 -0.92 0.00 0.00 175.35 174.83 1ykk h PRO 42 N 1.56 0.00 -0.56 -1.68 0.11 -2.00 -1.54 132.00 127.88 1ykk h PRO 42 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ykk h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ykk h PRO 42 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1ykk n ASP 43 N -3.19 3.11 -4.79 -2.05 5.75 -1.26 -4.96 116.55 109.17 1ykk n ASP 43 Ca 0.04 -2.17 -0.37 0.00 -0.01 0.00 0.00 54.79 52.28 1ykk n ASP 43 Cb 0.64 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 1ykk n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykk s ALA 44 N -1.57 3.29 0.48 2.12 0.00 -0.58 -5.05 121.76 120.45 1ykk s ALA 44 Ca 0.35 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 1ykk s ALA 44 Cb 0.20 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 1ykk s ALA 44 CO 0.20 0.23 1.13 -1.25 0.00 0.00 0.00 175.76 176.06 1ykk s PRO 45 N -1.93 3.70 0.00 0.00 0.04 -1.26 -4.93 135.00 130.62 1ykk s PRO 45 Ca 0.47 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1ykk s PRO 45 Cb -0.19 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1ykk s PRO 45 CO 0.24 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1ykk n GLY 46 N 0.28 1.18 3.60 0.56 0.00 -1.26 -4.51 105.19 105.04 1ykk n GLY 46 Ca 0.08 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1ykk n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 47 N -1.60 3.64 -0.20 1.61 2.12 -1.26 -4.93 118.70 118.09 1ykk s GLU 47 Ca 0.00 0.74 -0.29 0.00 0.36 0.00 0.00 54.97 55.78 1ykk s GLU 47 Cb 0.00 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 1ykk s GLU 47 CO 0.00 -1.48 1.47 -1.01 -0.54 0.00 0.00 175.26 173.70 1ykk s HIS 48 N 4.96 2.37 0.23 5.30 3.76 -1.26 -1.62 115.29 129.04 1ykk s HIS 48 Ca 0.55 0.66 0.11 0.00 -0.15 0.00 0.00 55.06 56.23 1ykk s HIS 48 Cb -0.10 -3.85 -0.05 0.00 1.11 0.00 0.00 32.58 29.69 1ykk s HIS 48 CO 0.32 -2.54 -0.21 0.96 -0.85 0.00 0.00 174.74 172.43 1ykk s ILE 49 N 4.47 2.28 -0.18 0.60 -4.36 -0.21 -4.53 121.20 119.27 1ykk s ILE 49 Ca 0.65 -2.20 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1ykk s ILE 49 Cb -0.24 -2.16 -0.00 0.00 1.25 0.00 0.00 42.46 41.31 1ykk s ILE 49 CO 0.25 -0.31 -0.11 -0.22 0.24 0.00 0.00 174.94 174.78 1ykk s LEU 50 N -3.10 2.62 -0.14 0.37 2.96 -0.46 -2.16 118.68 118.77 1ykk s LEU 50 Ca 0.24 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1ykk s LEU 50 Cb -0.06 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1ykk s LEU 50 CO 0.11 0.03 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.38 1ykk s LEU 51 N 1.13 3.29 0.21 -0.68 1.43 0.63 -2.05 118.68 122.63 1ykk s LEU 51 Ca 0.01 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1ykk s LEU 51 Cb -0.14 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1ykk s LEU 51 CO -0.03 0.21 0.10 -1.48 0.23 0.00 0.00 176.35 175.38 1ykk s LEU 52 N 0.12 1.43 0.00 1.79 -0.00 -0.95 -0.44 118.68 120.63 1ykk s LEU 52 Ca -0.01 -1.35 0.00 0.00 -0.00 0.00 0.00 54.13 52.77 1ykk s LEU 52 Cb -0.14 0.24 0.00 0.00 -0.00 0.00 0.00 46.19 46.29 1ykk s LEU 52 CO 0.03 -0.78 0.00 0.61 -0.00 0.00 0.00 176.35 176.21 1ykk n GLY 53 N -0.31 1.43 3.47 -3.48 0.00 -1.15 -0.85 105.19 104.31 1ykk n GLY 53 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1ykk n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ykk s GLN 54 N -2.00 1.65 -0.11 1.61 -0.21 -1.25 -1.79 119.66 117.55 1ykk s GLN 54 Ca 0.00 -1.83 0.03 0.00 0.02 0.00 0.00 55.36 53.58 1ykk s GLN 54 Cb 0.00 -1.43 0.01 0.00 1.00 0.00 0.00 33.01 32.58 1ykk s GLN 54 CO 0.00 0.12 -0.22 0.08 -2.12 0.00 0.00 175.29 173.15 1ykk s VAL 55 N -2.80 1.96 0.19 1.09 1.01 -1.26 -1.40 120.40 119.20 1ykk s VAL 55 Ca 0.30 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1ykk s VAL 55 Cb 0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1ykk s VAL 55 CO 0.14 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.42 1ykk s TYR 56 N 0.59 2.72 0.15 5.22 1.51 -0.09 -0.85 117.35 126.60 1ykk s TYR 56 Ca -0.13 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 1ykk s TYR 56 Cb -0.17 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1ykk s TYR 56 CO 0.04 0.53 0.18 -0.40 -1.11 0.00 0.00 175.55 174.79 1ykk n ASP 57 N -0.18 0.84 0.25 2.29 5.68 -0.09 -2.28 116.55 123.06 1ykk n ASP 57 Ca -0.10 -1.43 0.17 0.00 -0.50 0.00 0.00 54.79 52.93 1ykk n ASP 57 Cb 0.56 -0.08 0.80 0.00 -1.14 0.00 0.00 41.12 41.26 1ykk n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ykk h GLY 58 N 0.07 0.00 -1.63 6.12 0.00 -1.89 -1.55 103.07 104.19 1ykk h GLY 58 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ykk h GLY 58 CO 0.11 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.35 1ykk n ASN 59 N -2.78 2.69 0.00 0.19 3.02 -1.26 -4.69 115.26 112.43 1ykk n ASN 59 Ca -0.01 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1ykk n ASN 59 Cb 0.17 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1ykk n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykk n GLY 60 N 1.33 0.47 3.87 7.41 0.00 -0.58 -5.04 105.19 112.64 1ykk n GLY 60 Ca 0.16 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1ykk n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykk s HIS 61 N -2.00 3.58 0.19 1.61 3.76 -1.26 -4.76 115.29 116.40 1ykk s HIS 61 Ca 0.00 0.78 -0.31 0.00 -0.15 0.00 0.00 55.06 55.38 1ykk s HIS 61 Cb 0.00 -2.15 -0.10 0.00 1.11 0.00 0.00 32.58 31.44 1ykk s HIS 61 CO 0.00 0.51 1.49 -0.51 -0.85 0.00 0.00 174.74 175.38 1ykk s LEU 62 N -1.96 4.38 -0.64 0.89 1.43 -1.26 -0.91 118.68 120.61 1ykk s LEU 62 Ca 0.34 2.59 -0.19 0.00 -1.03 0.00 0.00 54.13 55.83 1ykk s LEU 62 Cb -0.14 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.59 1ykk s LEU 62 CO 0.18 -0.75 0.76 -0.69 0.23 0.00 0.00 176.35 176.09 1ykk s VAL 63 N 0.71 4.83 -0.37 -1.59 1.01 -0.03 -4.91 120.40 120.06 1ykk s VAL 63 Ca 0.65 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1ykk s VAL 63 Cb -0.42 -4.53 0.49 0.00 0.00 0.00 0.00 36.38 31.93 1ykk s VAL 63 CO 0.35 -1.18 1.52 0.54 0.00 0.00 0.00 175.10 176.34 1ykk n ARG 64 N 6.28 2.49 -0.69 2.72 1.74 -1.26 -4.10 116.66 123.84 1ykk n ARG 64 Ca -0.05 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 1ykk n ARG 64 Cb 0.43 -1.88 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1ykk n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykk n ASP 65 N -0.24 0.08 -4.85 0.55 5.68 -1.20 -3.38 116.55 113.20 1ykk n ASP 65 Ca 0.33 -1.75 -0.32 0.00 -0.50 0.00 0.00 54.79 52.55 1ykk n ASP 65 Cb 1.15 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.98 1ykk n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykk s SER 66 N -0.90 6.56 -0.05 -1.12 1.04 -1.22 -4.49 113.70 113.52 1ykk s SER 66 Ca 0.05 1.49 0.01 0.00 0.48 0.00 0.00 55.95 57.99 1ykk s SER 66 Cb 0.06 -2.48 0.02 0.00 0.10 0.00 0.00 66.02 63.72 1ykk s SER 66 CO -0.03 -0.60 -0.07 0.12 0.98 0.00 0.00 173.24 173.65 1ykk s PHE 67 N -2.66 0.92 0.07 5.02 5.36 0.17 -2.07 117.98 124.79 1ykk s PHE 67 Ca 0.57 -0.29 0.08 0.00 -0.96 0.00 0.00 56.93 56.33 1ykk s PHE 67 Cb -0.10 -0.76 -0.03 0.00 -0.34 0.00 0.00 43.02 41.79 1ykk s PHE 67 CO 0.34 -0.21 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.17 1ykk s LEU 68 N 0.82 2.23 -0.05 6.12 1.02 0.58 -0.24 118.68 129.16 1ykk s LEU 68 Ca -0.12 -0.60 0.03 0.00 0.02 0.00 0.00 54.13 53.46 1ykk s LEU 68 Cb -0.15 -0.94 0.00 0.00 0.02 0.00 0.00 46.19 45.12 1ykk s LEU 68 CO 0.01 0.12 -0.14 -1.61 0.02 0.00 0.00 176.35 174.75 1ykk s GLU 69 N -1.52 1.63 0.10 1.70 2.02 -0.76 -0.93 118.70 120.94 1ykk s GLU 69 Ca 0.07 -0.49 0.10 0.00 0.02 0.00 0.00 54.97 54.67 1ykk s GLU 69 Cb -0.09 -1.39 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 1ykk s GLU 69 CO 0.03 0.14 -0.27 0.14 0.02 0.00 0.00 175.26 175.33 1ykk s VAL 70 N 0.29 2.23 -0.07 2.63 -7.23 0.51 -1.39 120.40 117.37 1ykk s VAL 70 Ca -0.08 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1ykk s VAL 70 Cb -0.13 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.91 1ykk s VAL 70 CO 0.03 0.20 0.08 0.86 -0.31 0.00 0.00 175.10 175.95 1ykk s TRP 71 N -0.97 0.05 0.07 2.82 -0.11 -0.17 -2.17 118.94 118.46 1ykk s TRP 71 Ca 0.13 0.22 -0.07 0.00 1.22 0.00 0.00 56.10 57.60 1ykk s TRP 71 Cb -0.10 -0.48 -0.01 0.00 -1.50 0.00 0.00 33.47 31.38 1ykk s TRP 71 CO 0.05 -0.25 0.13 1.14 -4.62 0.00 0.00 176.95 173.40 1ykk s GLN 72 N 2.18 0.77 0.66 5.86 -2.07 -0.62 -0.78 119.66 125.67 1ykk s GLN 72 Ca 0.04 -1.00 -0.06 0.00 -1.82 0.00 0.00 55.36 52.52 1ykk s GLN 72 Cb -0.13 0.30 0.04 0.00 -1.09 0.00 0.00 33.01 32.14 1ykk s GLN 72 CO -0.04 -0.22 0.97 0.00 -1.32 0.00 0.00 175.29 174.68 1ykk s ALA 73 N -3.76 3.21 0.84 2.60 0.00 -1.26 -4.53 121.76 118.86 1ykk s ALA 73 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ykk s ALA 73 Cb 0.05 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1ykk s ALA 73 CO -0.10 -1.12 0.00 -0.40 0.00 0.00 0.00 175.76 174.14 1ykk n ASP 74 N -2.80 0.00 0.24 0.00 5.68 -0.33 -4.23 116.55 115.11 1ykk n ASP 74 Ca 0.07 -0.93 0.07 0.00 -0.50 0.00 0.00 54.79 53.50 1ykk n ASP 74 Cb 0.59 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.15 1ykk n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykk h ALA 75 N -1.62 1.61 -0.27 2.12 0.00 -1.79 0.57 119.26 119.88 1ykk h ALA 75 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ykk h ALA 75 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ykk h ALA 75 CO 0.00 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.54 1ykk n ASN 76 N -4.16 2.01 -1.36 0.00 3.02 -1.26 -3.96 115.26 109.55 1ykk n ASN 76 Ca -0.02 -1.84 -0.09 0.00 -0.03 0.00 0.00 54.58 52.60 1ykk n ASN 76 Cb 0.23 -0.18 0.02 0.00 -0.61 0.00 0.00 39.78 39.24 1ykk n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykk n GLY 77 N 1.17 0.22 3.24 7.41 0.00 -0.84 -4.86 105.19 111.54 1ykk n GLY 77 Ca 0.15 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1ykk n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykk s GLU 78 N -5.03 1.64 -0.34 1.61 2.02 -1.26 -4.67 118.70 112.67 1ykk s GLU 78 Ca 0.13 -0.82 -0.21 0.00 0.02 0.00 0.00 54.97 54.08 1ykk s GLU 78 Cb -0.06 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1ykk s GLU 78 CO 0.16 0.44 0.69 0.71 0.02 0.00 0.00 175.26 177.28 1ykk s TYR 79 N -0.59 3.16 -0.93 1.61 1.51 -1.26 -1.18 117.35 119.67 1ykk s TYR 79 Ca 0.08 0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 56.47 1ykk s TYR 79 Cb -0.08 -3.19 0.16 0.00 -0.11 0.00 0.00 41.96 38.74 1ykk s TYR 79 CO -0.00 -0.62 1.05 -0.65 -1.11 0.00 0.00 175.55 174.22 1ykk s GLN 80 N 2.82 3.66 0.31 -0.62 -1.52 -1.26 -4.87 119.66 118.18 1ykk s GLN 80 Ca 0.27 -2.07 0.13 0.00 -1.95 0.00 0.00 55.36 51.74 1ykk s GLN 80 Cb -0.14 -4.78 0.50 0.00 -0.22 0.00 0.00 33.01 28.37 1ykk s GLN 80 CO 0.15 -1.62 1.68 0.38 -0.25 0.00 0.00 175.29 175.62 1ykk h ASP 81 N 8.33 0.00 -1.18 5.90 2.03 -1.98 -3.24 116.42 126.29 1ykk h ASP 81 Ca 0.16 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 56.00 1ykk h ASP 81 Cb 1.01 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.44 1ykk h ASP 81 CO 1.02 0.52 1.14 0.00 -1.03 0.00 0.00 179.24 180.88 1ykk s ALA 82 N -3.70 2.24 0.02 4.15 0.00 -1.26 -4.96 121.76 118.26 1ykk s ALA 82 Ca -0.01 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 49.95 1ykk s ALA 82 Cb 0.13 -4.49 -0.05 0.00 0.00 0.00 0.00 23.12 18.71 1ykk s ALA 82 CO 0.74 -4.09 1.15 -0.47 0.00 0.00 0.00 175.76 173.09 1ykk s TYR 83 N 7.51 3.44 -0.27 0.00 5.04 -1.26 -4.98 117.35 126.83 1ykk s TYR 83 Ca 0.57 1.38 -0.25 0.00 -2.44 0.00 0.00 57.07 56.33 1ykk s TYR 83 Cb -0.05 -3.35 0.08 0.00 0.35 0.00 0.00 41.96 38.99 1ykk s TYR 83 CO -0.00 -0.99 0.77 1.21 -1.34 0.00 0.00 175.55 175.20 1ykk s ASN 84 N 1.13 -0.71 0.00 4.32 3.84 -1.26 -5.06 114.94 117.20 1ykk s ASN 84 Ca 0.56 1.36 0.28 0.00 0.21 0.00 0.00 52.86 55.27 1ykk s ASN 84 Cb -0.26 1.37 1.26 0.00 -0.55 0.00 0.00 41.25 43.06 1ykk s ASN 84 CO 0.27 -0.23 1.91 0.18 -2.79 0.00 0.00 177.10 176.44 1ykk n LEU 85 N 2.70 0.00 0.07 3.21 4.77 -1.26 -3.03 117.00 123.45 1ykk n LEU 85 Ca -0.14 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1ykk n LEU 85 Cb 0.55 -0.42 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 1ykk n LEU 85 CO 0.03 -0.03 0.44 -0.33 -1.33 0.00 0.00 177.39 176.17 1ykk h GLU 86 N 0.00 0.00 -7.02 3.23 5.08 -2.00 -3.47 114.58 110.39 1ykk h GLU 86 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1ykk h GLU 86 Cb 0.39 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.69 1ykk h GLU 86 CO 0.00 0.00 0.44 -0.80 -1.00 0.00 0.00 179.01 177.65 1ykk s ASN 87 N -4.34 6.23 0.24 1.42 -0.87 -1.17 -4.97 114.94 111.49 1ykk s ASN 87 Ca 0.07 2.17 -0.02 0.00 -1.57 0.00 0.00 52.86 53.51 1ykk s ASN 87 Cb 0.13 -2.59 0.28 0.00 -0.02 0.00 0.00 41.25 39.06 1ykk s ASN 87 CO 0.70 -0.87 1.70 0.00 -2.57 0.00 0.00 177.10 176.06 1ykk h ALA 88 N 1.90 1.01 -3.61 0.60 0.00 -1.91 -3.44 119.26 113.81 1ykk h ALA 88 Ca -0.49 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 53.87 1ykk h ALA 88 Cb 1.24 -0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.58 1ykk h ALA 88 CO 0.60 0.59 -0.67 0.12 0.00 0.00 0.00 179.25 179.89 1ykk s PHE 89 N -4.76 -0.05 -0.08 0.00 5.36 -1.26 -1.27 117.98 115.92 1ykk s PHE 89 Ca -0.09 0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.04 1ykk s PHE 89 Cb 0.14 -0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 1ykk s PHE 89 CO 0.82 -0.03 -0.17 -0.80 -1.46 0.00 0.00 175.22 173.58 1ykk s ASN 90 N 0.12 2.29 0.20 6.13 0.01 0.24 -4.99 114.94 118.93 1ykk s ASN 90 Ca -0.01 -0.40 0.24 0.00 -0.71 0.00 0.00 52.86 51.98 1ykk s ASN 90 Cb -0.01 -1.05 0.91 0.00 0.41 0.00 0.00 41.25 41.50 1ykk s ASN 90 CO -0.00 0.08 1.72 -1.20 -1.51 0.00 0.00 177.10 176.19 1ykk n SER 91 N 3.71 0.60 -4.56 -1.22 7.64 -1.22 -4.71 113.62 113.85 1ykk n SER 91 Ca -0.21 0.61 -0.32 0.00 1.01 0.00 0.00 58.87 59.96 1ykk n SER 91 Cb 0.52 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.86 1ykk n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykk s PHE 92 N -3.20 2.80 0.10 1.43 5.36 -1.26 -1.58 117.98 121.64 1ykk s PHE 92 Ca 0.07 -0.10 -0.24 0.00 -0.96 0.00 0.00 56.93 55.70 1ykk s PHE 92 Cb 0.11 -1.56 0.07 0.00 -0.34 0.00 0.00 43.02 41.29 1ykk s PHE 92 CO 0.45 0.35 0.60 0.20 -1.46 0.00 0.00 175.22 175.36 1ykk s GLY 93 N -1.50 -0.58 -0.00 13.12 0.00 -0.92 -4.81 107.32 112.63 1ykk s GLY 93 Ca 0.17 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.59 1ykk s GLY 93 CO 0.08 0.32 -0.16 0.50 0.00 0.00 0.00 173.10 173.84 1ykk s ARG 94 N -3.10 1.24 0.21 2.90 0.52 -0.84 -0.37 118.95 119.51 1ykk s ARG 94 Ca -0.02 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1ykk s ARG 94 Cb -0.01 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.22 1ykk s ARG 94 CO -0.07 0.33 0.23 -0.08 0.02 0.00 0.00 175.30 175.73 1ykk s THR 95 N -0.47 0.01 0.16 0.02 -1.32 -0.11 -1.90 115.64 112.03 1ykk s THR 95 Ca 0.06 -1.81 -0.19 0.00 -1.21 0.00 0.00 61.69 58.54 1ykk s THR 95 Cb -0.07 -2.37 0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1ykk s THR 95 CO -0.00 -0.03 0.51 0.00 -2.21 0.00 0.00 174.62 172.89 1ykk s ALA 96 N -4.11 -1.15 -0.14 11.08 0.00 -1.26 -0.31 121.76 125.87 1ykk s ALA 96 Ca 0.33 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1ykk s ALA 96 Cb 0.05 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1ykk s ALA 96 CO 0.10 -0.75 -0.09 0.95 0.00 0.00 0.00 175.76 175.97 1ykk s THR 97 N -3.81 3.38 0.33 0.00 -4.23 -0.88 -4.19 115.64 106.24 1ykk s THR 97 Ca 0.05 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1ykk s THR 97 Cb -0.00 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1ykk s THR 97 CO -0.09 0.51 0.02 0.35 -0.54 0.00 0.00 174.62 174.87 1ykk n THR 98 N 3.56 0.00 0.22 3.99 -2.24 0.94 -3.20 114.28 117.55 1ykk n THR 98 Ca -0.18 -1.54 0.12 0.00 -2.27 0.00 0.00 64.05 60.18 1ykk n THR 98 Cb 0.53 0.27 0.22 0.00 -2.10 0.00 0.00 70.33 69.24 1ykk n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykk h PHE 99 N 1.12 0.00 0.10 4.78 0.04 -1.94 -2.92 116.94 118.13 1ykk h PHE 99 Ca -0.27 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.17 1ykk h PHE 99 Cb 0.82 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1ykk h PHE 99 CO 0.00 0.04 -1.78 -0.44 -0.60 0.00 0.00 178.31 175.53 1ykk h ASP 100 N 0.00 0.33 -2.92 2.17 3.32 -1.95 -3.43 116.42 113.94 1ykk h ASP 100 Ca -0.00 -0.62 -0.57 0.00 0.02 0.00 0.00 57.03 55.86 1ykk h ASP 100 Cb 0.97 -0.11 -0.40 0.00 0.22 0.00 0.00 39.33 40.02 1ykk h ASP 100 CO 0.01 1.54 -0.79 0.00 -1.72 0.00 0.00 179.24 178.28 1ykk s ALA 101 N -2.59 1.17 -1.94 3.45 0.00 -1.23 -5.00 121.76 115.63 1ykk s ALA 101 Ca -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1ykk s ALA 101 Cb 0.07 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1ykk s ALA 101 CO 0.81 -1.87 0.78 0.41 0.00 0.00 0.00 175.76 175.89 1ykk n GLY 102 N 4.49 -0.68 3.12 0.00 0.00 -1.10 -0.04 105.19 110.97 1ykk n GLY 102 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ykk n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 103 N -1.94 2.31 0.11 1.61 2.12 -1.26 -4.59 118.70 117.07 1ykk s GLU 103 Ca 0.00 -0.63 -0.17 0.00 0.36 0.00 0.00 54.97 54.52 1ykk s GLU 103 Cb 0.00 -1.81 -0.07 0.00 0.26 0.00 0.00 34.13 32.51 1ykk s GLU 103 CO 0.00 0.10 0.58 1.67 -0.54 0.00 0.00 175.26 177.07 1ykk s TRP 104 N 0.49 3.72 0.18 5.30 1.48 -0.74 -4.77 118.94 124.60 1ykk s TRP 104 Ca -0.16 1.21 0.11 0.00 -1.06 0.00 0.00 56.10 56.19 1ykk s TRP 104 Cb -0.17 -2.46 -0.04 0.00 -1.16 0.00 0.00 33.47 29.64 1ykk s TRP 104 CO 0.06 0.51 -0.21 0.95 -4.06 0.00 0.00 176.95 174.20 1ykk s THR 105 N -1.28 2.55 -0.18 0.66 -4.23 -1.26 -2.94 115.64 108.96 1ykk s THR 105 Ca 0.33 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1ykk s THR 105 Cb -0.18 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.53 1ykk s THR 105 CO 0.19 -0.08 0.40 -0.22 -0.54 0.00 0.00 174.62 174.37 1ykk s LEU 106 N -2.61 -0.47 -0.32 4.79 2.96 0.42 -4.82 118.68 118.62 1ykk s LEU 106 Ca 0.21 0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1ykk s LEU 106 Cb -0.08 1.28 0.01 0.00 0.50 0.00 0.00 46.19 47.90 1ykk s LEU 106 CO 0.11 -0.22 0.13 -1.00 -1.32 0.00 0.00 176.35 174.04 1ykk s HIS 107 N 2.30 3.19 0.00 5.38 3.76 -0.53 -0.27 115.29 129.12 1ykk s HIS 107 Ca -0.03 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1ykk s HIS 107 Cb -0.11 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.25 1ykk s HIS 107 CO -0.12 -0.58 0.00 -2.37 -0.85 0.00 0.00 174.74 170.82 1ykk n THR 108 N 4.92 0.00 -4.36 1.30 5.66 -0.92 -1.38 114.28 119.49 1ykk n THR 108 Ca -0.13 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.63 1ykk n THR 108 Cb 0.47 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.17 1ykk n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykk s VAL 109 N -2.57 2.84 -0.12 1.08 -7.23 -1.26 -1.05 120.40 112.09 1ykk s VAL 109 Ca 0.00 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 1ykk s VAL 109 Cb 0.00 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1ykk s VAL 109 CO 0.00 -0.31 1.26 -0.75 -0.31 0.00 0.00 175.10 174.99 1ykk s LYS 110 N -3.65 4.27 0.63 4.82 2.20 -0.64 -4.83 119.74 122.55 1ykk s LYS 110 Ca 0.32 1.69 -0.18 0.00 -0.36 0.00 0.00 55.97 57.45 1ykk s LYS 110 Cb -0.03 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1ykk s LYS 110 CO 0.18 -0.62 1.24 -1.25 -0.36 0.00 0.00 175.35 174.54 1ykk s PRO 111 N 3.05 2.73 0.74 4.03 0.04 -1.26 -4.14 135.00 140.19 1ykk s PRO 111 Ca 0.56 1.90 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 1ykk s PRO 111 Cb -0.23 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.51 1ykk s PRO 111 CO 0.18 -1.41 1.05 0.20 0.04 0.00 0.00 177.00 177.05 1ykk s GLY 112 N -1.59 1.72 -0.05 0.56 0.00 0.19 -4.74 107.32 103.42 1ykk s GLY 112 Ca 0.79 -1.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 1ykk s GLY 112 CO 0.37 -0.64 1.14 0.14 0.00 0.00 0.00 173.10 174.11 1ykk s VAL 113 N -3.30 4.39 0.13 1.40 1.01 -1.26 -4.52 120.40 118.25 1ykk s VAL 113 Ca 0.63 1.71 0.09 0.00 0.00 0.00 0.00 61.98 64.41 1ykk s VAL 113 Cb -0.09 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1ykk s VAL 113 CO 0.46 0.03 -0.17 0.68 0.00 0.00 0.00 175.10 176.10 1ykk s VAL 114 N 1.93 2.89 0.22 2.92 -7.23 -1.26 -4.58 120.40 115.29 1ykk s VAL 114 Ca 0.54 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1ykk s VAL 114 Cb -0.24 -2.35 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 1ykk s VAL 114 CO 0.22 0.05 0.48 0.20 -0.31 0.00 0.00 175.10 175.75 1ykk s ASN 115 N -2.30 6.52 0.56 4.85 -0.87 -1.26 -1.17 114.94 121.26 1ykk s ASN 115 Ca 0.19 0.72 0.00 0.00 -1.57 0.00 0.00 52.86 52.21 1ykk s ASN 115 Cb -0.10 -2.14 0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1ykk s ASN 115 CO 0.11 -0.06 0.00 -0.46 -2.57 0.00 0.00 177.10 174.12 1ykk n ASN 116 N -0.32 -0.03 0.23 -1.22 6.94 -0.61 -4.88 115.26 115.38 1ykk n ASN 116 Ca -0.01 -0.55 0.11 0.00 -0.02 0.00 0.00 54.58 54.11 1ykk n ASN 116 Cb 0.53 0.00 0.48 0.00 -2.36 0.00 0.00 39.78 38.43 1ykk n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykk h ALA 117 N -2.00 1.02 -0.07 -2.53 0.00 -1.99 -2.89 119.26 110.79 1ykk h ALA 117 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ykk h ALA 117 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ykk h ALA 117 CO 0.00 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ykk n ALA 118 N -2.20 2.53 -0.80 0.00 0.00 -1.26 -4.94 120.51 113.83 1ykk n ALA 118 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1ykk n ALA 118 Cb 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1ykk n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykk n GLY 119 N 1.23 0.81 3.68 0.00 0.00 -1.09 -5.03 105.19 104.79 1ykk n GLY 119 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ykk n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykk s VAL 120 N -3.14 4.87 0.12 1.61 1.01 -1.26 -4.75 120.40 118.85 1ykk s VAL 120 Ca 0.00 1.74 -0.31 0.00 0.00 0.00 0.00 61.98 63.41 1ykk s VAL 120 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1ykk s VAL 120 CO 0.00 0.04 1.59 -2.16 0.00 0.00 0.00 175.10 174.57 1ykk s PRO 121 N 2.00 4.21 0.22 2.72 0.04 -1.26 -1.57 135.00 141.36 1ykk s PRO 121 Ca 0.41 2.33 -0.09 0.00 0.04 0.00 0.00 61.00 63.69 1ykk s PRO 121 Cb -0.17 -3.35 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1ykk s PRO 121 CO 0.14 -0.65 0.53 -1.64 0.04 0.00 0.00 177.00 175.43 1ykk s MET 122 N 1.80 3.79 0.58 4.56 -1.94 -0.32 -4.56 119.30 123.21 1ykk s MET 122 Ca 0.71 0.25 -0.18 0.00 -1.71 0.00 0.00 55.69 54.77 1ykk s MET 122 Cb -0.42 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 1ykk s MET 122 CO 0.32 0.34 1.14 0.00 -0.01 0.00 0.00 175.02 176.80 1ykk s ALA 123 N -1.79 2.60 0.09 3.03 0.00 -1.26 -4.00 121.76 120.43 1ykk s ALA 123 Ca 0.46 0.80 -0.33 0.00 0.00 0.00 0.00 51.96 52.89 1ykk s ALA 123 Cb -0.11 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 1ykk s ALA 123 CO 0.21 -0.99 1.73 -0.35 0.00 0.00 0.00 175.76 176.37 1ykk n PRO 124 N -1.64 2.37 -4.04 0.00 -0.04 -1.26 -4.86 135.00 125.53 1ykk n PRO 124 Ca 0.12 0.86 -0.09 0.00 -0.04 0.00 0.00 63.50 64.35 1ykk n PRO 124 Cb 0.51 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.19 1ykk n PRO 124 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ykk s HIS 125 N 2.21 0.59 -0.10 0.54 -3.43 -1.26 -4.29 115.29 109.54 1ykk s HIS 125 Ca 0.83 -0.98 0.02 0.00 -0.80 0.00 0.00 55.06 54.13 1ykk s HIS 125 Cb -0.62 -0.27 0.01 0.00 -1.43 0.00 0.00 32.58 30.28 1ykk s HIS 125 CO 0.41 -0.59 -0.15 0.42 -2.00 0.00 0.00 174.74 172.84 1ykk s ILE 126 N -3.99 1.44 -0.19 -5.38 1.01 -0.86 -4.59 121.20 108.63 1ykk s ILE 126 Ca 0.18 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 1ykk s ILE 126 Cb 0.06 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 1ykk s ILE 126 CO -0.01 0.43 0.77 0.20 0.00 0.00 0.00 174.94 176.33 1ykk s ASN 127 N 0.99 6.85 -0.02 3.58 0.01 0.04 -0.96 114.94 125.44 1ykk s ASN 127 Ca -0.07 1.05 0.06 0.00 -0.71 0.00 0.00 52.86 53.19 1ykk s ASN 127 Cb -0.15 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1ykk s ASN 127 CO -0.01 -0.38 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.38 1ykk s ILE 128 N 2.21 2.72 -0.13 0.60 1.01 0.15 -1.00 121.20 126.75 1ykk s ILE 128 Ca 0.35 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1ykk s ILE 128 Cb -0.16 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1ykk s ILE 128 CO 0.11 0.51 -0.14 -0.44 0.00 0.00 0.00 174.94 174.99 1ykk s SER 129 N -0.91 2.56 -0.23 3.58 0.01 -0.48 -0.84 113.70 117.38 1ykk s SER 129 Ca 0.12 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.84 1ykk s SER 129 Cb -0.10 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 1ykk s SER 129 CO 0.01 -0.05 0.12 -0.22 0.41 0.00 0.00 173.24 173.52 1ykk s LEU 130 N 1.39 3.84 0.04 2.44 2.96 0.72 -1.82 118.68 128.25 1ykk s LEU 130 Ca 0.02 -0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1ykk s LEU 130 Cb -0.13 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1ykk s LEU 130 CO -0.08 0.05 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.41 1ykk s PHE 131 N 1.15 2.01 -0.00 5.38 0.40 0.67 -1.86 117.98 125.73 1ykk s PHE 131 Ca 0.06 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.71 1ykk s PHE 131 Cb -0.14 -1.21 0.11 0.00 0.51 0.00 0.00 43.02 42.29 1ykk s PHE 131 CO 0.04 0.09 1.27 0.00 0.70 0.00 0.00 175.22 177.32 1ykk s ALA 132 N -0.77 -2.25 0.31 5.36 0.00 -1.26 0.43 121.76 123.58 1ykk s ALA 132 Ca 0.09 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 1ykk s ALA 132 Cb -0.09 0.51 -0.10 0.00 0.00 0.00 0.00 23.12 23.44 1ykk s ALA 132 CO 0.02 -1.08 1.19 -0.98 0.00 0.00 0.00 175.76 174.90 1ykk s ARG 133 N -2.33 4.46 0.00 0.00 1.70 -1.26 -2.55 118.95 118.97 1ykk s ARG 133 Ca 0.18 1.96 0.00 0.00 -0.47 0.00 0.00 55.73 57.40 1ykk s ARG 133 Cb 0.03 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 1ykk s ARG 133 CO -0.03 -0.00 0.00 0.41 -1.08 0.00 0.00 175.30 174.60 1ykk n GLY 134 N 0.97 2.99 3.36 3.88 0.00 -1.26 -4.98 105.19 110.15 1ykk n GLY 134 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1ykk n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykk s ILE 135 N -2.35 5.20 0.23 -0.61 -1.09 -1.06 -4.95 121.20 116.58 1ykk s ILE 135 Ca 0.00 -1.19 -0.02 0.00 -2.23 0.00 0.00 60.65 57.21 1ykk s ILE 135 Cb 0.00 -4.22 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1ykk s ILE 135 CO 0.00 -0.71 1.64 0.78 -1.23 0.00 0.00 174.94 175.42 1ykk h ASN 136 N 8.82 0.69 -3.61 3.58 2.35 -1.90 -3.36 115.58 122.15 1ykk h ASN 136 Ca -0.29 -0.26 -0.36 0.00 -0.55 0.00 0.00 56.30 54.84 1ykk h ASN 136 Cb 1.11 -0.19 -0.32 0.00 0.05 0.00 0.00 38.32 38.97 1ykk h ASN 136 CO 0.95 0.92 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.38 1ykk s ILE 137 N -4.51 0.38 0.53 2.81 2.07 -1.26 -3.15 121.20 118.08 1ykk s ILE 137 Ca -0.08 -0.09 -0.21 0.00 -1.41 0.00 0.00 60.65 58.86 1ykk s ILE 137 Cb 0.13 -0.40 -0.07 0.00 0.13 0.00 0.00 42.46 42.26 1ykk s ILE 137 CO 0.82 0.16 1.04 0.00 -1.91 0.00 0.00 174.94 175.06 1ykk n HIS 138 N 3.72 1.17 -3.59 3.50 1.44 -1.26 -5.00 115.22 115.21 1ykk n HIS 138 Ca -0.22 0.47 -0.36 0.00 -2.01 0.00 0.00 57.72 55.60 1ykk n HIS 138 Cb 0.53 -2.21 -0.08 0.00 0.12 0.00 0.00 29.99 28.36 1ykk n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykk s LEU 139 N -1.73 4.20 -0.18 2.39 1.43 -0.78 -4.89 118.68 119.12 1ykk s LEU 139 Ca 0.71 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1ykk s LEU 139 Cb -0.46 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1ykk s LEU 139 CO 0.51 0.09 0.19 -1.00 0.23 0.00 0.00 176.35 176.37 1ykk s HIS 140 N 0.69 3.43 0.23 0.29 3.76 -1.26 -0.20 115.29 122.23 1ykk s HIS 140 Ca 0.13 0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 55.39 1ykk s HIS 140 Cb -0.13 -2.23 -0.02 0.00 1.11 0.00 0.00 32.58 31.32 1ykk s HIS 140 CO 0.03 0.28 0.34 -0.08 -0.85 0.00 0.00 174.74 174.46 1ykk s THR 141 N 0.38 0.00 0.04 1.30 -1.32 -0.02 0.52 115.64 116.54 1ykk s THR 141 Ca 0.11 -1.64 0.06 0.00 -1.21 0.00 0.00 61.69 59.02 1ykk s THR 141 Cb -0.12 -2.32 -0.02 0.00 -1.51 0.00 0.00 72.50 68.53 1ykk s THR 141 CO 0.00 -0.00 -0.17 -0.13 -2.21 0.00 0.00 174.62 172.11 1ykk s ARG 142 N -4.07 1.17 -0.24 7.08 0.52 -1.26 -0.67 118.95 121.48 1ykk s ARG 142 Ca 0.29 -0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1ykk s ARG 142 Cb 0.02 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.24 1ykk s ARG 142 CO 0.10 0.31 0.03 -1.17 0.02 0.00 0.00 175.30 174.60 1ykk s LEU 143 N -1.12 3.27 0.32 2.53 0.20 -0.14 -4.74 118.68 119.01 1ykk s LEU 143 Ca 0.05 -0.26 0.08 0.00 0.69 0.00 0.00 54.13 54.69 1ykk s LEU 143 Cb -0.08 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1ykk s LEU 143 CO 0.01 -0.02 0.17 -0.31 -0.29 0.00 0.00 176.35 175.91 1ykk s TYR 144 N 1.53 2.79 -0.08 5.38 1.51 0.79 -2.04 117.35 127.23 1ykk s TYR 144 Ca 0.06 -0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1ykk s TYR 144 Cb -0.15 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 1ykk s TYR 144 CO 0.02 0.35 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.69 1ykk s PHE 145 N -2.36 2.96 0.31 2.71 0.40 -1.26 -0.24 117.98 120.50 1ykk s PHE 145 Ca 0.37 -0.02 0.24 0.00 -0.60 0.00 0.00 56.93 56.92 1ykk s PHE 145 Cb -0.04 -1.75 1.16 0.00 0.51 0.00 0.00 43.02 42.89 1ykk s PHE 145 CO 0.23 0.28 1.95 0.38 0.70 0.00 0.00 175.22 178.76 1ykk h ASP 146 N 5.46 0.00 -0.23 1.36 2.03 -1.82 -2.93 116.42 120.30 1ykk h ASP 146 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1ykk h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1ykk h ASP 146 CO 0.54 0.20 0.00 -0.90 -1.03 0.00 0.00 179.24 178.05 1ykk n ASP 147 N -3.60 1.23 -2.10 4.15 5.68 -1.26 -3.67 116.55 116.98 1ykk n ASP 147 Ca -0.01 -1.99 -0.22 0.00 -0.50 0.00 0.00 54.79 52.07 1ykk n ASP 147 Cb 0.33 -0.15 0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1ykk n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ykk n GLU 148 N 0.17 3.46 -0.13 0.11 -0.58 -1.10 -4.87 120.64 117.69 1ykk n GLU 148 Ca 0.08 -4.13 0.13 0.00 -0.42 0.00 0.00 57.16 52.82 1ykk n GLU 148 Cb 0.20 -2.23 0.48 0.00 -0.57 0.00 0.00 31.44 29.32 1ykk n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykk h ALA 149 N 2.23 2.02 -0.29 0.62 0.00 -1.76 0.72 119.26 122.80 1ykk h ALA 149 Ca 0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1ykk h ALA 149 Cb 1.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1ykk h ALA 149 CO 0.72 -0.19 -0.30 1.96 0.00 0.00 0.00 179.25 181.44 1ykk h GLN 150 N 0.45 0.60 0.18 0.00 4.20 -1.93 -2.62 115.11 116.00 1ykk h GLN 150 Ca 0.33 -0.26 -0.31 0.00 0.06 0.00 0.00 58.65 58.47 1ykk h GLN 150 Cb 0.65 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.43 1ykk h GLN 150 CO -0.10 0.83 -1.45 0.00 -0.67 0.00 0.00 178.83 177.43 1ykk h ALA 151 N 1.16 0.04 0.00 3.87 0.00 -1.70 -3.27 119.26 119.36 1ykk h ALA 151 Ca 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 1ykk h ALA 151 Cb 0.77 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ykk h ALA 151 CO 0.06 0.91 -0.10 -0.91 0.00 0.00 0.00 179.25 179.22 1ykk h ASN 152 N 0.10 0.00 1.28 0.00 2.35 -0.84 -0.29 115.58 118.19 1ykk h ASN 152 Ca -0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1ykk h ASN 152 Cb 2.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.44 1ykk h ASN 152 CO 0.22 0.10 -0.53 0.00 -1.65 0.00 0.00 177.43 175.56 1ykk h ALA 153 N 1.90 0.71 -0.01 -0.83 0.00 -1.56 -3.33 119.26 116.15 1ykk h ALA 153 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ykk h ALA 153 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ykk h ALA 153 CO 0.01 0.00 -0.64 1.63 0.00 0.00 0.00 179.25 180.25 1ykk n LYS 154 N -2.60 1.41 -1.89 0.00 4.76 -0.61 -4.96 118.16 114.27 1ykk n LYS 154 Ca 0.02 -0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 54.69 1ykk n LYS 154 Cb 0.50 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 1ykk n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykk h PRO 156 N 8.14 0.00 0.11 0.00 0.13 -1.91 -2.40 132.00 136.06 1ykk h PRO 156 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1ykk h PRO 156 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1ykk h PRO 156 CO 0.93 0.23 -0.63 0.28 -0.23 0.00 0.00 178.00 178.58 1ykk h VAL 157 N 0.00 1.58 0.00 1.56 2.07 -1.96 -3.29 116.25 116.20 1ykk h VAL 157 Ca -0.00 -2.49 -0.06 0.00 0.82 0.00 0.00 66.70 64.97 1ykk h VAL 157 Cb 0.56 3.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 1ykk h VAL 157 CO 0.03 0.69 -0.29 0.25 0.02 0.00 0.00 177.57 178.27 1ykk h LEU 158 N -0.53 0.00 -0.40 2.57 5.85 -1.89 -2.41 115.31 118.50 1ykk h LEU 158 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ykk h LEU 158 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1ykk h LEU 158 CO 0.11 0.29 0.00 0.59 -0.34 0.00 0.00 178.44 179.09 1ykk n ASN 159 N -4.07 0.60 0.13 1.25 3.02 -0.91 -3.34 115.26 111.95 1ykk n ASN 159 Ca -0.02 -1.44 0.09 0.00 -0.03 0.00 0.00 54.58 53.18 1ykk n ASN 159 Cb 0.35 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.53 1ykk n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykk h LEU 160 N 0.83 0.00 -8.84 3.41 3.38 -1.50 -3.43 115.31 109.16 1ykk h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ykk h LEU 160 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1ykk h LEU 160 CO 0.00 0.11 0.99 -0.63 0.09 0.00 0.00 178.44 179.00 1ykk s ILE 161 N -3.23 4.09 0.16 1.22 1.01 -1.21 -4.95 121.20 118.29 1ykk s ILE 161 Ca 0.02 1.17 -0.28 0.00 0.00 0.00 0.00 60.65 61.56 1ykk s ILE 161 Cb 0.08 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1ykk s ILE 161 CO 0.75 -0.70 1.56 -0.33 0.00 0.00 0.00 174.94 176.22 1ykk h GLU 162 N 9.71 -0.25 -5.55 2.79 5.08 -1.91 -3.41 114.58 121.04 1ykk h GLU 162 Ca -0.25 0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.53 1ykk h GLU 162 Cb 1.09 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.29 1ykk h GLU 162 CO 1.07 -0.17 -0.05 -0.65 -1.00 0.00 0.00 179.01 178.22 1ykk s GLN 163 N -5.75 4.20 0.64 2.33 -1.52 -1.26 -4.98 119.66 113.32 1ykk s GLN 163 Ca -0.14 0.41 0.39 0.00 -1.95 0.00 0.00 55.36 54.07 1ykk s GLN 163 Cb 0.12 -3.55 2.18 0.00 -0.22 0.00 0.00 33.01 31.54 1ykk s GLN 163 CO 0.64 -0.12 2.32 -1.00 -0.25 0.00 0.00 175.29 176.88 1ykk h PRO 164 N 7.40 0.00 0.00 2.91 0.13 -1.98 -2.44 132.00 138.01 1ykk h PRO 164 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1ykk h PRO 164 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ykk h PRO 164 CO 0.74 0.00 -0.42 1.96 -0.23 0.00 0.00 178.00 180.06 1ykk h GLN 165 N 0.00 0.00 0.00 0.86 7.50 -1.96 -2.81 115.11 118.71 1ykk h GLN 165 Ca -0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 1ykk h GLN 165 Cb 0.03 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.54 1ykk h GLN 165 CO 0.00 0.42 -0.65 0.00 -1.50 0.00 0.00 178.83 177.10 1ykk h ARG 166 N 0.00 0.00 0.00 1.46 3.08 -1.84 -3.29 114.38 113.79 1ykk h ARG 166 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1ykk h ARG 166 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1ykk h ARG 166 CO 0.05 0.48 -0.27 0.00 -1.07 0.00 0.00 179.97 179.16 1ykk h ARG 167 N 0.00 0.00 0.00 0.04 3.08 -1.52 -2.74 114.38 113.24 1ykk h ARG 167 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ykk h ARG 167 Cb 1.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 1ykk h ARG 167 CO 0.06 0.27 -0.00 0.93 -1.07 0.00 0.00 179.97 180.16 1ykk h GLU 168 N 0.00 0.00 0.00 0.04 5.08 -1.63 -2.54 114.58 115.53 1ykk h GLU 168 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ykk h GLU 168 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ykk h GLU 168 CO 0.04 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.84 1ykk h THR 169 N 0.00 0.00 -0.01 1.13 1.35 -1.68 -2.83 112.91 110.87 1ykk h THR 169 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1ykk h THR 169 Cb 0.31 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1ykk h THR 169 CO 0.00 0.00 -0.51 0.18 -0.25 0.00 0.00 175.52 174.94 1ykk n LEU 170 N -2.44 1.48 -4.52 3.87 4.77 -0.96 -4.80 117.00 114.40 1ykk n LEU 170 Ca 0.04 -0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 55.06 1ykk n LEU 170 Cb 0.36 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1ykk n LEU 170 CO 0.27 0.29 0.26 -0.63 -1.33 0.00 0.00 177.39 176.25 1ykk s ILE 171 N -2.61 4.95 -0.08 -0.08 1.01 -1.07 -0.15 121.20 123.17 1ykk s ILE 171 Ca 0.18 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 1ykk s ILE 171 Cb 0.18 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1ykk s ILE 171 CO 0.62 -0.46 1.08 0.00 0.00 0.00 0.00 174.94 176.18 1ykk s ALA 172 N 2.51 3.42 0.11 9.38 0.00 0.66 -4.88 121.76 132.96 1ykk s ALA 172 Ca 0.18 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 1ykk s ALA 172 Cb -0.15 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1ykk s ALA 172 CO 0.16 -0.63 1.09 0.15 0.00 0.00 0.00 175.76 176.53 1ykk s LYS 173 N 1.99 4.56 0.20 0.00 1.02 -0.74 -2.44 119.74 124.33 1ykk s LYS 173 Ca 0.51 1.64 -0.30 0.00 0.02 0.00 0.00 55.97 57.85 1ykk s LYS 173 Cb -0.21 -3.34 -0.08 0.00 -0.52 0.00 0.00 37.83 33.68 1ykk s LYS 173 CO 0.20 -0.02 0.96 0.50 -0.92 0.00 0.00 175.35 176.07 1ykk s ARG 174 N 0.30 4.79 0.35 1.68 3.52 -1.26 -0.37 118.95 127.96 1ykk s ARG 174 Ca 0.52 1.50 -0.07 0.00 -0.13 0.00 0.00 55.73 57.55 1ykk s ARG 174 Cb -0.27 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1ykk s ARG 174 CO 0.31 0.40 0.56 0.00 -0.81 0.00 0.00 175.30 175.76 1ykk s GLU 176 N -2.93 1.59 -0.36 0.00 2.02 -1.26 -1.69 118.70 116.07 1ykk s GLU 176 Ca 0.26 -0.28 -0.03 0.00 0.02 0.00 0.00 54.97 54.94 1ykk s GLU 176 Cb -0.02 -1.61 0.08 0.00 0.10 0.00 0.00 34.13 32.68 1ykk s GLU 176 CO 0.17 -0.25 0.12 0.08 0.02 0.00 0.00 175.26 175.40 1ykk s VAL 177 N 1.63 3.25 -1.60 2.63 1.01 -0.87 -4.71 120.40 121.73 1ykk s VAL 177 Ca 0.04 -1.68 -0.03 0.00 0.00 0.00 0.00 61.98 60.30 1ykk s VAL 177 Cb -0.13 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1ykk s VAL 177 CO -0.08 -0.41 0.44 0.47 0.00 0.00 0.00 175.10 175.53 1ykk n ASP 178 N 4.63 -6.03 0.00 3.32 8.00 -1.26 -2.43 116.55 122.79 1ykk n ASP 178 Ca -0.08 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1ykk n ASP 178 Cb 0.43 -4.89 0.00 0.00 -0.02 0.00 0.00 41.12 36.63 1ykk n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykk n GLY 179 N -1.39 0.56 3.50 0.44 0.00 -1.26 -5.05 105.19 101.99 1ykk n GLY 179 Ca -0.15 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1ykk n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykk s LYS 180 N -0.60 2.78 -0.04 1.61 2.47 -1.02 -5.09 119.74 119.86 1ykk s LYS 180 Ca 0.00 -0.63 -0.30 0.00 -1.56 0.00 0.00 55.97 53.48 1ykk s LYS 180 Cb 0.00 -2.52 -0.05 0.00 -1.46 0.00 0.00 37.83 33.79 1ykk s LYS 180 CO 0.00 0.56 1.59 0.99 0.16 0.00 0.00 175.35 178.65 1ykk s THR 181 N -0.55 3.60 0.14 3.43 2.01 -1.26 -2.05 115.64 120.96 1ykk s THR 181 Ca 0.08 0.80 0.06 0.00 0.31 0.00 0.00 61.69 62.94 1ykk s THR 181 Cb -0.12 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1ykk s THR 181 CO 0.02 -0.06 -0.13 0.00 -0.69 0.00 0.00 174.62 173.77 1ykk s ALA 182 N 3.63 1.56 -0.04 7.40 0.00 -0.68 -1.35 121.76 132.27 1ykk s ALA 182 Ca 0.71 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1ykk s ALA 182 Cb -0.33 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1ykk s ALA 182 CO 0.28 0.02 -0.02 0.71 0.00 0.00 0.00 175.76 176.75 1ykk s TYR 183 N -2.70 0.58 -0.18 0.00 1.51 -0.87 -1.47 117.35 114.22 1ykk s TYR 183 Ca 0.14 -0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 1ykk s TYR 183 Cb -0.02 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.19 1ykk s TYR 183 CO 0.03 -0.19 0.19 0.50 -1.11 0.00 0.00 175.55 174.97 1ykk s ARG 184 N 1.11 4.17 -0.31 -0.62 3.52 0.50 -2.25 118.95 125.07 1ykk s ARG 184 Ca -0.08 -0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1ykk s ARG 184 Cb -0.14 -3.41 0.10 0.00 -1.56 0.00 0.00 34.95 29.95 1ykk s ARG 184 CO -0.01 0.31 0.11 0.12 -0.81 0.00 0.00 175.30 175.02 1ykk s PHE 185 N 0.30 1.47 -0.24 5.12 5.36 -0.03 -1.79 117.98 128.18 1ykk s PHE 185 Ca 0.12 -1.62 -0.17 0.00 -0.96 0.00 0.00 56.93 54.29 1ykk s PHE 185 Cb -0.12 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.96 1ykk s PHE 185 CO 0.01 -0.87 0.47 -0.51 -1.46 0.00 0.00 175.22 172.85 1ykk s ASP 186 N 1.64 6.43 -0.22 6.13 1.01 -1.26 -3.93 116.67 126.45 1ykk s ASP 186 Ca 0.10 0.51 -0.15 0.00 0.71 0.00 0.00 52.55 53.72 1ykk s ASP 186 Cb -0.17 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1ykk s ASP 186 CO -0.26 -0.20 0.37 -0.63 0.21 0.00 0.00 175.17 174.66 1ykk s ILE 187 N 1.92 5.21 -0.33 0.77 1.01 -0.49 -4.96 121.20 124.32 1ykk s ILE 187 Ca 0.20 0.62 -0.04 0.00 0.00 0.00 0.00 60.65 61.43 1ykk s ILE 187 Cb -0.15 -3.70 0.06 0.00 0.01 0.00 0.00 42.46 38.68 1ykk s ILE 187 CO 0.09 0.23 0.07 -0.13 0.00 0.00 0.00 174.94 175.21 1ykk s ARG 188 N 1.50 2.41 0.21 2.79 0.52 -1.26 -0.92 118.95 124.20 1ykk s ARG 188 Ca 0.17 -1.35 -0.08 0.00 -0.52 0.00 0.00 55.73 53.95 1ykk s ARG 188 Cb -0.15 -3.35 0.15 0.00 0.52 0.00 0.00 34.95 32.12 1ykk s ARG 188 CO 0.08 -0.72 1.77 0.82 0.02 0.00 0.00 175.30 177.26 1ykk h ILE 189 N 6.35 1.26 -3.60 1.52 2.04 -1.75 0.74 117.51 124.08 1ykk h ILE 189 Ca -0.20 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 1ykk h ILE 189 Cb 1.07 0.35 -0.18 0.00 -0.74 0.00 0.00 36.82 37.32 1ykk h ILE 189 CO 0.59 0.35 -0.43 -1.58 0.00 0.00 0.00 178.15 177.08 1ykk s GLN 190 N -5.50 0.65 1.44 2.37 0.74 -1.26 -4.75 119.66 113.34 1ykk s GLN 190 Ca -0.12 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 54.65 1ykk s GLN 190 Cb 0.15 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.53 1ykk s GLN 190 CO 0.84 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 1ykk n GLY 191 N 0.78 0.81 3.69 2.59 0.00 -1.26 -4.10 105.19 107.69 1ykk n GLY 191 Ca -0.19 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1ykk n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykk s GLU 192 N 0.00 4.26 -1.13 1.61 2.12 -1.26 -2.96 118.70 121.34 1ykk s GLU 192 Ca 0.00 2.06 0.00 0.00 0.36 0.00 0.00 54.97 57.39 1ykk s GLU 192 Cb 0.00 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1ykk s GLU 192 CO 0.00 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 1ykk n GLY 193 N 3.74 0.13 3.66 -1.50 0.00 -1.26 -4.93 105.19 105.02 1ykk n GLY 193 Ca 0.14 -0.37 -0.50 0.00 0.00 0.00 0.00 46.02 45.29 1ykk n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykk n GLU 194 N -2.29 1.73 -1.90 1.61 2.13 -1.16 -4.73 120.64 116.03 1ykk n GLU 194 Ca -0.15 0.63 -0.41 0.00 0.66 0.00 0.00 57.16 57.89 1ykk n GLU 194 Cb 0.58 -2.37 -0.01 0.00 0.27 0.00 0.00 31.44 29.90 1ykk n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykk s THR 195 N 1.85 2.33 0.04 6.31 2.01 0.25 -4.94 115.64 123.49 1ykk s THR 195 Ca 0.86 0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 1ykk s THR 195 Cb -0.82 -3.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 1ykk s THR 195 CO 0.47 0.06 1.44 -0.69 -0.69 0.00 0.00 174.62 175.21 1ykk s VAL 196 N -0.46 3.48 0.00 3.82 1.01 -1.26 -4.94 120.40 122.05 1ykk s VAL 196 Ca 0.57 0.94 0.05 0.00 0.00 0.00 0.00 61.98 63.54 1ykk s VAL 196 Cb -0.45 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ykk s VAL 196 CO 0.51 0.02 -0.13 -0.36 0.00 0.00 0.00 175.10 175.14 1ykk s PHE 197 N 2.08 2.71 0.28 5.22 0.08 -1.26 -4.71 117.98 122.37 1ykk s PHE 197 Ca 0.66 -0.16 0.07 0.00 0.12 0.00 0.00 56.93 57.62 1ykk s PHE 197 Cb -0.34 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1ykk s PHE 197 CO 0.29 0.27 0.25 -0.06 -0.10 0.00 0.00 175.22 175.87 1ykk s PHE 198 N -0.89 3.08 -0.03 0.36 0.08 0.19 -4.99 117.98 115.78 1ykk s PHE 198 Ca 0.14 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1ykk s PHE 198 Cb -0.11 -1.56 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1ykk s PHE 198 CO 0.04 0.39 -0.02 0.34 -0.10 0.00 0.00 175.22 175.88 1ykk s ASP 199 N -3.92 0.56 0.00 1.36 3.68 -1.26 -4.16 116.67 112.94 1ykk s ASP 199 Ca 0.36 -0.06 0.00 0.00 2.13 0.00 0.00 52.55 54.98 1ykk s ASP 199 Cb -0.07 -0.26 0.00 0.00 -1.45 0.00 0.00 42.92 41.14 1ykk s ASP 199 CO 0.26 -0.06 0.00 2.22 0.13 0.00 0.00 175.17 177.72