#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykn s ILE 2 N 0.00 5.03 -0.14 4.25 -1.09 -1.26 -5.05 121.20 122.95 1ykn s ILE 2 Ca 0.00 1.36 0.01 0.00 -2.23 0.00 0.00 60.65 59.79 1ykn s ILE 2 Cb 0.00 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 1ykn s ILE 2 CO 0.00 0.20 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.14 1ykn s GLU 3 N 1.22 3.25 0.77 2.79 0.41 -1.26 -5.12 118.70 120.75 1ykn s GLU 3 Ca 0.35 -0.75 -0.02 0.00 -0.41 0.00 0.00 54.97 54.14 1ykn s GLU 3 Cb -0.17 -2.57 0.16 0.00 -1.78 0.00 0.00 34.13 29.77 1ykn s GLU 3 CO 0.15 0.11 1.06 -0.51 -0.49 0.00 0.00 175.26 175.58 1ykn s LEU 4 N 0.57 2.91 0.35 1.80 1.02 -1.26 -5.04 118.68 119.03 1ykn s LEU 4 Ca -0.10 -0.46 -0.28 0.00 0.02 0.00 0.00 54.13 53.31 1ykn s LEU 4 Cb -0.16 -1.73 -0.10 0.00 0.02 0.00 0.00 46.19 44.22 1ykn s LEU 4 CO 0.04 -2.09 1.37 -0.76 0.02 0.00 0.00 176.35 174.92 1ykn s LEU 5 N -5.26 4.38 0.52 1.79 1.43 -1.26 -4.97 118.68 115.32 1ykn s LEU 5 Ca 0.69 2.81 -0.20 0.00 -1.03 0.00 0.00 54.13 56.40 1ykn s LEU 5 Cb -0.04 -3.67 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1ykn s LEU 5 CO 0.46 -0.66 1.14 -2.84 0.23 0.00 0.00 176.35 174.68 1ykn s PRO 6 N -1.92 3.44 0.39 1.29 0.02 -1.26 -5.00 135.00 131.97 1ykn s PRO 6 Ca 0.51 1.65 -0.26 0.00 0.02 0.00 0.00 61.00 62.91 1ykn s PRO 6 Cb -0.42 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.92 1ykn s PRO 6 CO 0.56 -0.78 1.27 -2.00 -0.33 0.00 0.00 177.00 175.72 1ykn s GLU 7 N -3.15 4.04 0.24 5.54 2.12 -1.26 -4.95 118.70 121.28 1ykn s GLU 7 Ca 0.71 2.09 -0.31 0.00 0.36 0.00 0.00 54.97 57.82 1ykn s GLU 7 Cb -0.25 -2.78 -0.14 0.00 0.26 0.00 0.00 34.13 31.22 1ykn s GLU 7 CO 0.29 -0.41 1.27 2.41 -0.54 0.00 0.00 175.26 178.27 1ykn n THR 8 N 0.21 1.18 -2.58 -1.70 -1.04 -1.26 -4.92 114.28 104.18 1ykn n THR 8 Ca 0.03 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.05 61.40 1ykn n THR 8 Cb 0.44 -1.24 -0.04 0.00 -1.82 0.00 0.00 70.33 67.67 1ykn n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykn s PRO 9 N -0.70 3.96 0.53 -2.82 0.02 -1.26 -4.99 135.00 129.74 1ykn s PRO 9 Ca 0.67 1.38 -0.20 0.00 0.02 0.00 0.00 61.00 62.87 1ykn s PRO 9 Cb -0.71 -2.25 -0.06 0.00 0.02 0.00 0.00 34.50 31.51 1ykn s PRO 9 CO 0.53 -0.29 1.15 0.45 -0.33 0.00 0.00 177.00 178.51 1ykn s SER 10 N -1.87 5.73 0.08 2.53 0.15 -1.26 -5.10 113.70 113.96 1ykn s SER 10 Ca 0.64 2.24 0.02 0.00 0.70 0.00 0.00 55.95 59.54 1ykn s SER 10 Cb -0.17 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1ykn s SER 10 CO 0.21 -1.22 -0.07 -1.10 1.20 0.00 0.00 173.24 172.27 1ykn s GLN 11 N -3.18 0.73 0.61 5.44 -1.52 -1.17 -4.87 119.66 115.70 1ykn s GLN 11 Ca 0.72 -1.15 -0.18 0.00 -1.95 0.00 0.00 55.36 52.80 1ykn s GLN 11 Cb -0.26 -0.23 -0.04 0.00 -0.22 0.00 0.00 33.01 32.27 1ykn s GLN 11 CO 0.29 0.00 1.03 -2.37 -0.25 0.00 0.00 175.29 174.00 1ykn n THR 12 N 0.44 3.95 0.37 -0.19 5.66 -1.18 -4.74 114.28 118.59 1ykn n THR 12 Ca -0.16 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.48 1ykn n THR 12 Cb 0.59 -1.22 0.48 0.00 -1.55 0.00 0.00 70.33 68.63 1ykn n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykn h ALA 13 N 0.50 1.00 0.00 1.79 0.00 -1.70 -3.49 119.26 117.35 1ykn h ALA 13 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ykn h ALA 13 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ykn h ALA 13 CO 0.51 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1ykn n GLY 14 N 0.47 -1.06 0.22 0.00 0.00 -1.26 -4.31 105.19 99.25 1ykn n GLY 14 Ca 0.03 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.52 1ykn n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykn h PRO 15 N 0.00 0.00 -1.01 1.61 0.13 -1.92 -2.87 132.00 127.94 1ykn h PRO 15 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1ykn h PRO 15 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 1ykn h PRO 15 CO 0.00 0.27 0.78 0.66 -0.23 0.00 0.00 178.00 179.47 1ykn n TYR 16 N -3.90 3.13 0.08 1.56 4.01 -1.26 -4.61 117.16 116.18 1ykn n TYR 16 Ca -0.02 -2.51 0.06 0.00 -0.16 0.00 0.00 57.90 55.28 1ykn n TYR 16 Cb 0.35 -1.23 0.51 0.00 -0.31 0.00 0.00 39.34 38.65 1ykn n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykn h VAL 17 N 0.99 1.05 -0.77 -0.72 3.04 -1.69 -1.48 116.25 116.67 1ykn h VAL 17 Ca 0.62 -0.12 0.16 0.00 -1.01 0.00 0.00 66.70 66.35 1ykn h VAL 17 Cb 1.69 0.67 -0.05 0.00 -2.01 0.00 0.00 31.29 31.58 1ykn h VAL 17 CO 1.37 0.06 0.52 0.45 -1.01 0.00 0.00 177.57 178.97 1ykn h HIS 18 N 0.35 0.45 -0.72 3.17 3.86 -1.84 -1.29 115.15 119.14 1ykn h HIS 18 Ca 0.11 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1ykn h HIS 18 Cb 0.02 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1ykn h HIS 18 CO -0.00 0.16 0.31 -0.84 0.86 0.00 0.00 177.93 178.42 1ykn h ILE 19 N 0.37 1.24 0.00 2.45 3.07 -1.49 0.58 117.51 123.74 1ykn h ILE 19 Ca 0.38 -0.71 0.00 0.00 1.55 0.00 0.00 64.86 66.08 1ykn h ILE 19 Cb 0.95 0.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.85 1ykn h ILE 19 CO -0.12 0.29 -1.21 0.61 -1.05 0.00 0.00 178.15 176.68 1ykn n GLY 20 N -1.01 -1.14 0.00 0.16 0.00 -0.86 -4.65 105.19 97.69 1ykn n GLY 20 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ykn n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykn n LEU 21 N -1.97 0.28 -2.95 0.99 4.77 -0.54 -4.87 117.00 112.72 1ykn n LEU 21 Ca 0.01 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 1ykn n LEU 21 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1ykn n LEU 21 CO 0.42 0.07 -0.02 0.00 -1.33 0.00 0.00 177.39 176.53 1ykn n ALA 22 N -0.39 0.15 -0.17 -1.18 0.00 0.20 -4.95 120.51 114.16 1ykn n ALA 22 Ca 0.00 -2.15 -0.03 0.00 0.00 0.00 0.00 53.44 51.26 1ykn n ALA 22 Cb 0.03 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.42 1ykn n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykn h LEU 23 N 4.28 0.25 -0.16 0.00 4.07 -1.80 -0.66 115.31 121.29 1ykn h LEU 23 Ca -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1ykn h LEU 23 Cb 0.98 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 1ykn h LEU 23 CO 0.33 0.17 0.07 -0.08 -1.08 0.00 0.00 178.44 177.86 1ykn h GLU 24 N 0.41 0.23 -0.79 1.13 4.81 -1.88 0.12 114.58 118.61 1ykn h GLU 24 Ca 0.25 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1ykn h GLU 24 Cb 0.25 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1ykn h GLU 24 CO -0.23 0.28 0.48 0.00 -0.73 0.00 0.00 179.01 178.81 1ykn h ALA 25 N 0.94 1.08 0.00 2.92 0.00 -1.77 1.12 119.26 123.55 1ykn h ALA 25 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ykn h ALA 25 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ykn h ALA 25 CO -0.01 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1ykn n ALA 26 N -2.35 1.56 -2.92 0.00 0.00 -0.30 -4.83 120.51 111.66 1ykn n ALA 26 Ca 0.11 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.34 1ykn n ALA 26 Cb 0.16 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.49 1ykn n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykn n GLY 27 N -0.45 -0.18 3.79 0.00 0.00 0.39 -4.97 105.19 103.76 1ykn n GLY 27 Ca 0.04 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1ykn n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykn s ASN 28 N -2.89 5.09 0.27 1.61 0.01 0.37 -4.98 114.94 114.42 1ykn s ASN 28 Ca 0.27 -0.53 -0.29 0.00 -0.71 0.00 0.00 52.86 51.60 1ykn s ASN 28 Cb -0.12 -1.00 -0.10 0.00 0.41 0.00 0.00 41.25 40.45 1ykn s ASN 28 CO 0.33 -0.21 1.27 -2.16 -1.51 0.00 0.00 177.10 174.82 1ykn s PRO 29 N -3.87 4.42 0.55 -0.60 0.04 -1.26 -3.93 135.00 130.35 1ykn s PRO 29 Ca 0.37 2.08 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 1ykn s PRO 29 Cb -0.06 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1ykn s PRO 29 CO 0.24 -0.14 0.92 0.95 0.04 0.00 0.00 177.00 179.01 1ykn s THR 30 N -0.64 4.79 0.80 1.26 -4.23 -1.26 -4.88 115.64 111.48 1ykn s THR 30 Ca 0.51 0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 61.56 1ykn s THR 30 Cb -0.37 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 69.76 1ykn s THR 30 CO 0.45 -0.99 1.11 -0.13 -0.54 0.00 0.00 174.62 174.52 1ykn s ARG 31 N -4.92 1.37 0.12 3.99 0.52 -1.26 -5.01 118.95 113.76 1ykn s ARG 31 Ca 0.52 -0.80 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 1ykn s ARG 31 Cb -0.11 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 33.15 1ykn s ARG 31 CO 0.49 -1.76 1.71 -0.44 0.02 0.00 0.00 175.30 175.32 1ykn h ASP 32 N -0.91 -0.18 -3.43 0.23 3.45 -2.07 -3.40 116.42 110.10 1ykn h ASP 32 Ca -0.40 0.05 -0.66 0.00 0.43 0.00 0.00 57.03 56.45 1ykn h ASP 32 Cb 1.26 0.11 -0.29 0.00 -0.56 0.00 0.00 39.33 39.85 1ykn h ASP 32 CO 0.41 -0.07 -0.72 -1.10 -1.57 0.00 0.00 179.24 176.18 1ykn s GLN 33 N -6.19 3.21 0.03 3.56 -0.21 -1.26 -5.12 119.66 113.67 1ykn s GLN 33 Ca -0.13 -0.74 0.07 0.00 0.02 0.00 0.00 55.36 54.58 1ykn s GLN 33 Cb 0.09 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 1ykn s GLN 33 CO 0.68 -0.27 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.15 1ykn s GLU 34 N 1.44 1.56 -0.43 2.91 0.41 -1.26 -5.11 118.70 118.21 1ykn s GLU 34 Ca 0.04 -0.92 -0.25 0.00 -0.41 0.00 0.00 54.97 53.44 1ykn s GLU 34 Cb -0.15 -1.63 0.02 0.00 -1.78 0.00 0.00 34.13 30.59 1ykn s GLU 34 CO -0.03 0.43 0.88 0.42 -0.49 0.00 0.00 175.26 176.47 1ykn s ILE 35 N -0.71 4.55 0.00 -1.63 1.01 -1.26 -4.99 121.20 118.17 1ykn s ILE 35 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1ykn s ILE 35 Cb -0.09 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1ykn s ILE 35 CO 0.01 -0.72 0.00 1.87 0.00 0.00 0.00 174.94 176.10 1ykn n TRP 36 N 6.93 0.00 -1.00 3.97 -0.00 -1.26 -4.62 117.44 121.46 1ykn n TRP 36 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.54 1ykn n TRP 36 Cb 0.48 0.00 0.35 0.00 -0.00 0.00 0.00 31.31 32.14 1ykn n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykn n ASN 37 N 0.00 5.21 -3.86 5.87 6.94 -0.91 -1.93 115.26 126.59 1ykn n ASN 37 Ca 0.00 -3.13 -0.30 0.00 -0.02 0.00 0.00 54.58 51.14 1ykn n ASN 37 Cb 0.00 -0.73 -0.13 0.00 -2.36 0.00 0.00 39.78 36.56 1ykn n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ykn s ARG 38 N -2.92 1.80 0.11 -3.83 3.52 -1.26 -1.50 118.95 114.87 1ykn s ARG 38 Ca 0.55 -2.51 -0.07 0.00 -0.13 0.00 0.00 55.73 53.57 1ykn s ARG 38 Cb 0.44 -2.99 -0.13 0.00 -1.56 0.00 0.00 34.95 30.71 1ykn s ARG 38 CO 0.15 -1.15 1.28 -0.07 -0.81 0.00 0.00 175.30 174.69 1ykn h LEU 39 N 6.41 0.67 -9.27 -0.88 4.07 -1.20 -3.45 115.31 111.65 1ykn h LEU 39 Ca -0.02 -0.52 -0.68 0.00 0.08 0.00 0.00 57.88 56.73 1ykn h LEU 39 Cb 0.89 -0.20 -0.15 0.00 1.08 0.00 0.00 40.66 42.27 1ykn h LEU 39 CO 0.62 1.32 -0.63 0.00 -1.08 0.00 0.00 178.44 178.67 1ykn s ALA 40 N -3.34 3.26 0.25 1.53 0.00 -1.16 -1.50 121.76 120.81 1ykn s ALA 40 Ca -0.07 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 1ykn s ALA 40 Cb 0.08 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 1ykn s ALA 40 CO 0.88 0.59 0.55 0.15 0.00 0.00 0.00 175.76 177.93 1ykn s LYS 41 N -0.90 3.74 0.59 0.00 1.02 0.38 -4.82 119.74 119.75 1ykn s LYS 41 Ca 0.13 0.18 0.37 0.00 0.02 0.00 0.00 55.97 56.67 1ykn s LYS 41 Cb -0.11 -2.65 1.29 0.00 -0.52 0.00 0.00 37.83 35.84 1ykn s LYS 41 CO 0.02 0.28 1.44 -1.35 -0.92 0.00 0.00 175.35 174.82 1ykn h PRO 42 N 2.25 0.00 -0.60 -1.68 0.11 -2.00 0.36 132.00 130.43 1ykn h PRO 42 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ykn h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ykn h PRO 42 CO 0.68 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1ykn n ASP 43 N -3.56 4.66 -4.78 -2.05 5.75 -1.26 -4.97 116.55 110.33 1ykn n ASP 43 Ca 0.32 -2.48 -0.37 0.00 -0.01 0.00 0.00 54.79 52.25 1ykn n ASP 43 Cb 1.72 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 41.19 1ykn n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykn s ALA 44 N -1.91 3.18 0.85 2.12 0.00 0.13 -5.00 121.76 121.14 1ykn s ALA 44 Ca 0.49 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1ykn s ALA 44 Cb 0.32 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 20.36 1ykn s ALA 44 CO 0.23 0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.98 1ykn s PRO 45 N -2.20 1.59 0.00 0.00 0.04 -1.26 -4.91 135.00 128.26 1ykn s PRO 45 Ca 0.52 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1ykn s PRO 45 Cb -0.18 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1ykn s PRO 45 CO 0.23 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.51 1ykn n GLY 46 N -0.48 -2.28 3.55 0.56 0.00 -1.26 -4.62 105.19 100.66 1ykn n GLY 46 Ca 0.10 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 1ykn n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 47 N -0.65 3.45 0.13 1.61 2.12 -1.26 -4.97 118.70 119.14 1ykn s GLU 47 Ca 0.00 -0.01 -0.31 0.00 0.36 0.00 0.00 54.97 55.01 1ykn s GLU 47 Cb 0.00 -3.96 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1ykn s GLU 47 CO 0.00 -1.28 1.54 -1.01 -0.54 0.00 0.00 175.26 173.97 1ykn s HIS 48 N 3.73 3.00 0.00 5.30 3.76 -1.26 -2.01 115.29 127.80 1ykn s HIS 48 Ca 0.34 0.66 -0.04 0.00 -0.15 0.00 0.00 55.06 55.87 1ykn s HIS 48 Cb -0.11 -3.87 -0.01 0.00 1.11 0.00 0.00 32.58 29.70 1ykn s HIS 48 CO 0.24 -3.24 0.06 0.96 -0.85 0.00 0.00 174.74 171.91 1ykn s ILE 49 N 1.40 0.08 -0.17 0.60 -4.36 0.12 -4.80 121.20 114.07 1ykn s ILE 49 Ca 0.69 -0.68 -0.07 0.00 -0.26 0.00 0.00 60.65 60.33 1ykn s ILE 49 Cb -0.41 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 1ykn s ILE 49 CO 0.31 -0.38 0.05 -0.22 0.24 0.00 0.00 174.94 174.94 1ykn s LEU 50 N -1.22 3.76 0.09 0.37 2.96 -0.70 -2.16 118.68 121.77 1ykn s LEU 50 Ca -0.13 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1ykn s LEU 50 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1ykn s LEU 50 CO 0.00 0.19 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.45 1ykn s LEU 51 N 0.25 3.38 0.07 -0.68 1.43 0.81 -1.50 118.68 122.45 1ykn s LEU 51 Ca 0.03 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1ykn s LEU 51 Cb -0.12 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1ykn s LEU 51 CO 0.01 0.18 0.45 -1.48 0.23 0.00 0.00 176.35 175.74 1ykn s LEU 52 N -2.23 0.19 0.07 1.79 0.05 -0.96 -0.59 118.68 117.00 1ykn s LEU 52 Ca 0.24 -0.03 -0.26 0.00 0.05 0.00 0.00 54.13 54.14 1ykn s LEU 52 Cb -0.12 1.94 0.09 0.00 -2.05 0.00 0.00 46.19 46.05 1ykn s LEU 52 CO 0.17 -0.75 1.17 -0.83 -0.55 0.00 0.00 176.35 175.56 1ykn s GLY 53 N -2.24 -0.10 0.11 -3.48 0.00 -1.06 -0.88 107.32 99.67 1ykn s GLY 53 Ca -0.03 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.78 1ykn s GLY 53 CO -0.05 2.92 -0.15 1.20 0.00 0.00 0.00 173.10 177.02 1ykn s GLN 54 N -2.26 1.00 -0.12 2.90 -0.21 -1.26 -1.23 119.66 118.49 1ykn s GLN 54 Ca 0.22 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.45 1ykn s GLN 54 Cb -0.00 -0.96 0.01 0.00 1.00 0.00 0.00 33.01 33.06 1ykn s GLN 54 CO 0.01 0.19 -0.22 0.08 -2.12 0.00 0.00 175.29 173.24 1ykn s VAL 55 N -1.87 1.95 0.07 1.09 1.01 -1.26 -1.08 120.40 120.32 1ykn s VAL 55 Ca 0.07 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1ykn s VAL 55 Cb -0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1ykn s VAL 55 CO 0.03 0.53 -0.14 -0.31 0.00 0.00 0.00 175.10 175.22 1ykn s TYR 56 N 0.63 2.66 0.38 5.22 1.51 -0.26 -0.67 117.35 126.82 1ykn s TYR 56 Ca -0.12 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1ykn s TYR 56 Cb -0.16 -1.45 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1ykn s TYR 56 CO 0.03 0.36 0.52 -0.40 -1.11 0.00 0.00 175.55 174.95 1ykn n ASP 57 N 1.09 0.99 0.00 2.29 5.68 -0.49 -1.16 116.55 124.94 1ykn n ASP 57 Ca -0.15 -1.76 0.14 0.00 -0.50 0.00 0.00 54.79 52.51 1ykn n ASP 57 Cb 0.52 -0.31 0.79 0.00 -1.14 0.00 0.00 41.12 40.98 1ykn n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykn n GLY 58 N 0.77 -0.95 0.52 6.12 0.00 -1.26 -2.01 105.19 108.39 1ykn n GLY 58 Ca 0.09 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1ykn n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykn n ASN 59 N -1.07 2.02 0.00 1.61 3.02 -1.26 -4.80 115.26 114.78 1ykn n ASN 59 Ca 0.19 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1ykn n ASN 59 Cb 0.13 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1ykn n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykn n GLY 60 N 1.11 0.69 3.82 7.41 0.00 -0.85 -5.05 105.19 112.33 1ykn n GLY 60 Ca 0.08 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1ykn n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykn s HIS 61 N -2.00 3.38 0.34 1.61 3.76 -1.26 -4.82 115.29 116.30 1ykn s HIS 61 Ca 0.00 0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.89 1ykn s HIS 61 Cb 0.00 -1.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.81 1ykn s HIS 61 CO 0.00 0.59 1.34 -0.51 -0.85 0.00 0.00 174.74 175.31 1ykn s LEU 62 N -1.78 4.41 -0.45 0.89 1.43 -1.26 -1.40 118.68 120.52 1ykn s LEU 62 Ca 0.24 2.75 -0.19 0.00 -1.03 0.00 0.00 54.13 55.90 1ykn s LEU 62 Cb -0.12 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.48 1ykn s LEU 62 CO 0.15 -0.60 0.55 -0.69 0.23 0.00 0.00 176.35 176.00 1ykn s VAL 63 N -1.12 4.95 -0.67 -1.59 1.01 0.16 -4.85 120.40 118.29 1ykn s VAL 63 Ca 0.50 -0.22 0.16 0.00 0.00 0.00 0.00 61.98 62.42 1ykn s VAL 63 Cb -0.41 -4.16 0.69 0.00 0.00 0.00 0.00 36.38 32.50 1ykn s VAL 63 CO 0.55 -0.57 1.60 0.54 0.00 0.00 0.00 175.10 177.22 1ykn n ARG 64 N 5.97 3.89 -1.11 2.72 1.74 -1.26 -4.18 116.66 124.43 1ykn n ARG 64 Ca -0.05 -2.91 0.04 0.00 -0.77 0.00 0.00 57.85 54.16 1ykn n ARG 64 Cb 0.47 -1.96 0.07 0.00 -1.02 0.00 0.00 32.46 30.02 1ykn n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykn n ASP 65 N 0.62 1.13 -4.90 0.55 5.68 -1.26 -3.34 116.55 115.04 1ykn n ASP 65 Ca 0.25 -2.52 -0.29 0.00 -0.50 0.00 0.00 54.79 51.73 1ykn n ASP 65 Cb 0.95 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 40.55 1ykn n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykn s SER 66 N -2.23 6.47 -0.04 -1.12 1.04 -1.24 -4.48 113.70 112.09 1ykn s SER 66 Ca 0.31 0.79 0.04 0.00 0.48 0.00 0.00 55.95 57.57 1ykn s SER 66 Cb 0.34 -2.18 -0.00 0.00 0.10 0.00 0.00 66.02 64.28 1ykn s SER 66 CO -0.12 -0.22 -0.15 0.12 0.98 0.00 0.00 173.24 173.86 1ykn s PHE 67 N -2.11 1.51 0.03 5.02 5.36 -0.47 -2.32 117.98 125.00 1ykn s PHE 67 Ca 0.45 -0.43 0.05 0.00 -0.96 0.00 0.00 56.93 56.05 1ykn s PHE 67 Cb -0.11 -1.03 -0.02 0.00 -0.34 0.00 0.00 43.02 41.52 1ykn s PHE 67 CO 0.29 -0.15 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.23 1ykn s LEU 68 N 0.10 2.13 0.06 6.12 1.02 0.37 -1.72 118.68 126.76 1ykn s LEU 68 Ca -0.04 -0.42 0.09 0.00 0.02 0.00 0.00 54.13 53.78 1ykn s LEU 68 Cb -0.11 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.35 1ykn s LEU 68 CO 0.02 0.10 -0.24 -1.61 0.02 0.00 0.00 176.35 174.64 1ykn s GLU 69 N -0.92 1.53 0.08 1.70 2.02 -0.67 -1.47 118.70 120.97 1ykn s GLU 69 Ca 0.04 -1.08 0.04 0.00 0.02 0.00 0.00 54.97 53.99 1ykn s GLU 69 Cb -0.07 -1.73 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1ykn s GLU 69 CO 0.01 0.44 -0.12 0.14 0.02 0.00 0.00 175.26 175.75 1ykn s VAL 70 N -0.87 1.01 -0.10 2.63 -7.23 -0.85 -0.44 120.40 114.54 1ykn s VAL 70 Ca 0.10 -1.41 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1ykn s VAL 70 Cb -0.10 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.76 1ykn s VAL 70 CO 0.03 -0.36 0.22 0.86 -0.31 0.00 0.00 175.10 175.53 1ykn s TRP 71 N -1.71 -0.30 0.04 2.82 -0.11 -0.56 -1.95 118.94 117.16 1ykn s TRP 71 Ca 0.00 0.76 -0.14 0.00 1.22 0.00 0.00 56.10 57.94 1ykn s TRP 71 Cb -0.07 -0.06 0.02 0.00 -1.50 0.00 0.00 33.47 31.86 1ykn s TRP 71 CO 0.01 -0.27 0.31 1.14 -4.62 0.00 0.00 176.95 173.53 1ykn s GLN 72 N 1.79 0.81 0.83 5.86 -2.07 -0.45 -0.12 119.66 126.31 1ykn s GLN 72 Ca -0.04 -0.47 -0.11 0.00 -1.82 0.00 0.00 55.36 52.91 1ykn s GLN 72 Cb -0.11 0.35 0.09 0.00 -1.09 0.00 0.00 33.01 32.25 1ykn s GLN 72 CO -0.08 -0.26 1.10 0.00 -1.32 0.00 0.00 175.29 174.73 1ykn s ALA 73 N -2.47 2.01 0.87 2.60 0.00 -1.26 -4.52 121.76 118.99 1ykn s ALA 73 Ca -0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 1ykn s ALA 73 Cb -0.01 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.13 1ykn s ALA 73 CO -0.03 -1.94 0.97 -0.40 0.00 0.00 0.00 175.76 174.36 1ykn n ASP 74 N -3.59 0.47 0.25 0.00 5.68 0.76 -4.40 116.55 115.73 1ykn n ASP 74 Ca 0.07 -1.59 0.18 0.00 -0.50 0.00 0.00 54.79 52.95 1ykn n ASP 74 Cb 0.56 -0.70 0.90 0.00 -1.14 0.00 0.00 41.12 40.73 1ykn n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykn h ALA 75 N -1.36 1.57 -0.27 2.12 0.00 -1.82 0.15 119.26 119.65 1ykn h ALA 75 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ykn h ALA 75 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ykn h ALA 75 CO 0.26 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1ykn n ASN 76 N -3.49 3.11 0.00 0.00 3.02 -1.26 -3.25 115.26 113.39 1ykn n ASN 76 Ca 0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1ykn n ASN 76 Cb 0.29 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1ykn n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykn n GLY 77 N 1.42 0.90 3.29 7.41 0.00 0.27 -4.81 105.19 113.68 1ykn n GLY 77 Ca 0.18 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1ykn n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykn s GLU 78 N -1.49 2.27 -0.36 1.61 2.02 -1.26 -4.70 118.70 116.79 1ykn s GLU 78 Ca 0.00 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 53.81 1ykn s GLU 78 Cb 0.00 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1ykn s GLU 78 CO 0.00 0.49 0.94 0.71 0.02 0.00 0.00 175.26 177.42 1ykn s TYR 79 N -0.44 3.09 -0.59 1.61 1.51 -1.26 -0.17 117.35 121.09 1ykn s TYR 79 Ca 0.05 0.82 -0.21 0.00 -1.01 0.00 0.00 57.07 56.72 1ykn s TYR 79 Cb -0.11 -3.64 0.07 0.00 -0.11 0.00 0.00 41.96 38.16 1ykn s TYR 79 CO 0.01 -0.81 0.83 -0.65 -1.11 0.00 0.00 175.55 173.81 1ykn s GLN 80 N 3.48 3.13 0.03 -0.62 -1.52 -1.26 -4.92 119.66 118.00 1ykn s GLN 80 Ca 0.39 -0.87 0.07 0.00 -1.95 0.00 0.00 55.36 53.00 1ykn s GLN 80 Cb -0.12 -4.18 -0.23 0.00 -0.22 0.00 0.00 33.01 28.26 1ykn s GLN 80 CO 0.18 -1.57 0.96 0.38 -0.25 0.00 0.00 175.29 174.99 1ykn h ASP 81 N 9.31 0.08 -2.23 5.90 2.03 -1.98 -3.21 116.42 126.33 1ykn h ASP 81 Ca -0.28 -0.11 -0.53 0.00 -0.73 0.00 0.00 57.03 55.37 1ykn h ASP 81 Cb 1.08 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 39.53 1ykn h ASP 81 CO 1.10 1.10 1.36 0.00 -1.03 0.00 0.00 179.24 181.77 1ykn s ALA 82 N -2.65 2.42 0.09 4.15 0.00 -1.26 -4.93 121.76 119.58 1ykn s ALA 82 Ca -0.03 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 1ykn s ALA 82 Cb 0.09 -4.18 -0.06 0.00 0.00 0.00 0.00 23.12 18.97 1ykn s ALA 82 CO 0.83 -3.39 0.82 -0.47 0.00 0.00 0.00 175.76 173.55 1ykn s TYR 83 N 8.51 3.80 -0.24 0.00 5.04 -1.26 -4.99 117.35 128.20 1ykn s TYR 83 Ca 0.77 1.60 -0.11 0.00 -2.44 0.00 0.00 57.07 56.89 1ykn s TYR 83 Cb -0.18 -2.87 0.09 0.00 0.35 0.00 0.00 41.96 39.35 1ykn s TYR 83 CO 0.27 0.32 0.57 1.21 -1.34 0.00 0.00 175.55 176.58 1ykn s ASN 84 N -0.32 -0.77 0.64 4.32 3.84 -1.26 -5.03 114.94 116.36 1ykn s ASN 84 Ca 0.40 1.29 0.41 0.00 0.21 0.00 0.00 52.86 55.17 1ykn s ASN 84 Cb -0.22 1.43 2.22 0.00 -0.55 0.00 0.00 41.25 44.13 1ykn s ASN 84 CO 0.26 -0.22 2.31 -0.07 -2.79 0.00 0.00 177.10 176.58 1ykn h LEU 85 N 7.45 0.00 -0.08 3.21 3.38 -1.96 -2.26 115.31 125.05 1ykn h LEU 85 Ca -0.27 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1ykn h LEU 85 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1ykn h LEU 85 CO 0.17 0.01 -0.60 -0.33 0.09 0.00 0.00 178.44 177.77 1ykn h GLU 86 N 0.00 0.00 -6.59 1.13 5.08 -2.01 -3.47 114.58 108.72 1ykn h GLU 86 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1ykn h GLU 86 Cb 0.07 0.00 0.20 0.00 0.50 0.00 0.00 28.75 29.52 1ykn h GLU 86 CO 0.00 0.60 -0.67 0.09 -1.00 0.00 0.00 179.01 178.04 1ykn n ASN 87 N -3.28 -2.20 0.09 1.42 3.02 -0.85 -4.92 115.26 108.53 1ykn n ASN 87 Ca 0.01 0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 54.85 1ykn n ASN 87 Cb 0.76 -1.14 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 1ykn n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ykn h ALA 88 N -0.86 0.19 -3.66 5.41 0.00 -1.91 -3.44 119.26 115.00 1ykn h ALA 88 Ca -0.44 -0.79 -0.44 0.00 0.00 0.00 0.00 54.91 53.24 1ykn h ALA 88 Cb 1.32 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.81 1ykn h ALA 88 CO 0.37 0.85 -0.79 0.12 0.00 0.00 0.00 179.25 179.80 1ykn s PHE 89 N -2.98 1.01 -0.04 0.00 5.36 -1.26 0.14 117.98 120.22 1ykn s PHE 89 Ca -0.06 -0.29 0.06 0.00 -0.96 0.00 0.00 56.93 55.69 1ykn s PHE 89 Cb 0.07 -0.76 -0.02 0.00 -0.34 0.00 0.00 43.02 41.98 1ykn s PHE 89 CO 0.89 -0.15 -0.23 -0.80 -1.46 0.00 0.00 175.22 173.46 1ykn s ASN 90 N 0.44 3.28 0.00 6.13 0.01 -0.56 -4.97 114.94 119.27 1ykn s ASN 90 Ca -0.07 -0.42 0.29 0.00 -0.71 0.00 0.00 52.86 51.94 1ykn s ASN 90 Cb -0.11 -0.62 1.46 0.00 0.41 0.00 0.00 41.25 42.39 1ykn s ASN 90 CO 0.01 0.30 2.00 -1.20 -1.51 0.00 0.00 177.10 176.70 1ykn n SER 91 N 2.59 0.00 -4.48 -1.22 7.64 -1.21 -4.75 113.62 112.18 1ykn n SER 91 Ca -0.17 -0.16 -0.27 0.00 1.01 0.00 0.00 58.87 59.29 1ykn n SER 91 Cb 0.52 -0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 1ykn n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykn s PHE 92 N -2.54 2.43 0.23 1.43 5.36 -1.26 -1.35 117.98 122.28 1ykn s PHE 92 Ca 0.28 -0.30 -0.22 0.00 -0.96 0.00 0.00 56.93 55.73 1ykn s PHE 92 Cb 0.19 -1.19 0.06 0.00 -0.34 0.00 0.00 43.02 41.74 1ykn s PHE 92 CO 0.43 0.51 0.93 0.20 -1.46 0.00 0.00 175.22 175.84 1ykn s GLY 93 N -2.77 0.04 0.07 13.12 0.00 -0.82 -4.86 107.32 112.09 1ykn s GLY 93 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1ykn s GLY 93 CO 0.12 0.81 -0.05 0.50 0.00 0.00 0.00 173.10 174.49 1ykn s ARG 94 N -2.73 0.67 0.27 2.90 1.81 -0.81 -2.02 118.95 119.05 1ykn s ARG 94 Ca 0.16 -1.19 -0.05 0.00 -1.72 0.00 0.00 55.73 52.93 1ykn s ARG 94 Cb -0.03 0.01 0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1ykn s ARG 94 CO 0.06 -0.06 0.45 -2.37 -0.68 0.00 0.00 175.30 172.70 1ykn n THR 95 N 0.24 0.00 -3.51 0.02 5.66 -0.54 -2.14 114.28 114.01 1ykn n THR 95 Ca -0.15 -1.06 -0.13 0.00 -3.05 0.00 0.00 64.05 59.66 1ykn n THR 95 Cb 0.60 0.77 -0.04 0.00 -1.55 0.00 0.00 70.33 70.11 1ykn n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykn s ALA 96 N -2.18 -1.78 -0.10 1.79 0.00 -1.26 -0.48 121.76 117.75 1ykn s ALA 96 Ca 0.17 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1ykn s ALA 96 Cb -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1ykn s ALA 96 CO 0.13 -0.50 0.25 0.95 0.00 0.00 0.00 175.76 176.58 1ykn s THR 97 N -2.09 5.32 0.43 0.00 -4.23 -0.98 -4.19 115.64 109.90 1ykn s THR 97 Ca -0.03 0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.97 1ykn s THR 97 Cb -0.01 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.27 1ykn s THR 97 CO -0.01 0.54 0.11 0.42 -0.54 0.00 0.00 174.62 175.15 1ykn s THR 98 N -0.58 0.69 0.26 3.99 -4.23 1.73 -3.68 115.64 113.82 1ykn s THR 98 Ca 0.17 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.66 1ykn s THR 98 Cb -0.13 -2.32 0.25 0.00 1.34 0.00 0.00 72.50 71.63 1ykn s THR 98 CO 0.06 0.00 1.84 -0.26 -0.54 0.00 0.00 174.62 175.72 1ykn h PHE 99 N 1.72 1.04 0.74 3.99 0.05 -1.95 -2.78 116.94 119.73 1ykn h PHE 99 Ca -0.37 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.42 1ykn h PHE 99 Cb 1.28 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 38.90 1ykn h PHE 99 CO 1.51 0.45 -0.44 -0.44 -0.18 0.00 0.00 178.31 179.22 1ykn h ASP 100 N 0.95 -1.09 -3.85 2.17 3.32 -1.97 -3.38 116.42 112.56 1ykn h ASP 100 Ca 0.44 0.06 -0.70 0.00 0.02 0.00 0.00 57.03 56.85 1ykn h ASP 100 Cb 0.35 0.31 -0.35 0.00 0.22 0.00 0.00 39.33 39.87 1ykn h ASP 100 CO -0.23 -0.68 -0.43 0.00 -1.72 0.00 0.00 179.24 176.18 1ykn s ALA 101 N -5.59 3.42 -0.82 3.45 0.00 -1.10 -5.01 121.76 116.12 1ykn s ALA 101 Ca -0.17 -2.96 0.22 0.00 0.00 0.00 0.00 51.96 49.05 1ykn s ALA 101 Cb 0.02 -2.59 0.88 0.00 0.00 0.00 0.00 23.12 21.44 1ykn s ALA 101 CO 0.53 -1.99 1.68 0.41 0.00 0.00 0.00 175.76 176.39 1ykn n GLY 102 N 3.97 -1.30 3.37 0.00 0.00 -1.07 0.48 105.19 110.64 1ykn n GLY 102 Ca 0.03 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1ykn n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 103 N -3.10 2.25 0.27 1.61 2.12 -1.26 -4.48 118.70 116.10 1ykn s GLU 103 Ca 0.08 -0.85 0.07 0.00 0.36 0.00 0.00 54.97 54.63 1ykn s GLU 103 Cb 0.12 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 1ykn s GLU 103 CO 0.41 0.58 0.27 1.67 -0.54 0.00 0.00 175.26 177.66 1ykn s TRP 104 N -0.66 3.17 0.04 5.30 1.48 -0.36 -4.60 118.94 123.30 1ykn s TRP 104 Ca 0.11 -0.12 0.01 0.00 -1.06 0.00 0.00 56.10 55.03 1ykn s TRP 104 Cb -0.10 -1.55 -0.03 0.00 -1.16 0.00 0.00 33.47 30.64 1ykn s TRP 104 CO -0.00 0.41 -0.05 0.95 -4.06 0.00 0.00 176.95 174.20 1ykn s THR 105 N -2.12 0.29 -0.08 0.66 -4.23 -1.26 -2.56 115.64 106.34 1ykn s THR 105 Ca 0.35 -1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1ykn s THR 105 Cb -0.08 -0.61 0.04 0.00 1.34 0.00 0.00 72.50 73.19 1ykn s THR 105 CO 0.27 -0.55 0.20 -0.22 -0.54 0.00 0.00 174.62 173.78 1ykn s LEU 106 N -1.78 0.77 -0.28 4.79 0.20 0.24 -4.82 118.68 117.80 1ykn s LEU 106 Ca -0.10 0.42 -0.06 0.00 0.69 0.00 0.00 54.13 55.08 1ykn s LEU 106 Cb -0.07 0.61 0.00 0.00 -0.43 0.00 0.00 46.19 46.30 1ykn s LEU 106 CO -0.02 -0.13 0.06 -1.00 -0.29 0.00 0.00 176.35 174.97 1ykn s HIS 107 N 0.87 3.12 0.00 5.38 3.76 -0.56 -0.13 115.29 127.72 1ykn s HIS 107 Ca -0.06 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 1ykn s HIS 107 Cb -0.08 -2.23 0.00 0.00 1.11 0.00 0.00 32.58 31.38 1ykn s HIS 107 CO -0.05 -0.54 0.00 -2.37 -0.85 0.00 0.00 174.74 170.93 1ykn n THR 108 N 4.87 0.00 -4.36 1.30 5.66 -0.92 -0.72 114.28 120.11 1ykn n THR 108 Ca -0.15 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.64 1ykn n THR 108 Cb 0.49 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.14 1ykn n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykn s VAL 109 N -2.36 1.25 -0.04 1.08 -7.23 -1.26 -0.70 120.40 111.13 1ykn s VAL 109 Ca 0.00 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.74 1ykn s VAL 109 Cb 0.00 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 1ykn s VAL 109 CO 0.00 -0.01 1.95 -0.75 -0.31 0.00 0.00 175.10 175.97 1ykn s LYS 110 N -1.32 3.94 0.49 4.82 2.20 -0.85 -4.89 119.74 124.13 1ykn s LYS 110 Ca 0.02 2.38 -0.24 0.00 -0.36 0.00 0.00 55.97 57.78 1ykn s LYS 110 Cb -0.09 -4.17 -0.07 0.00 -1.51 0.00 0.00 37.83 31.99 1ykn s LYS 110 CO 0.02 -1.17 1.32 -0.35 -0.36 0.00 0.00 175.35 174.81 1ykn n PRO 111 N 7.71 1.85 -2.14 4.03 -0.04 -1.26 -4.14 135.00 141.02 1ykn n PRO 111 Ca 0.21 0.67 -0.28 0.00 -0.04 0.00 0.00 63.50 64.06 1ykn n PRO 111 Cb 0.42 -2.50 0.16 0.00 -0.04 0.00 0.00 33.50 31.54 1ykn n PRO 111 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ykn s GLY 112 N -0.70 1.78 0.15 0.55 0.00 0.18 -4.79 107.32 104.48 1ykn s GLY 112 Ca 0.66 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 1ykn s GLY 112 CO 0.54 -0.67 0.94 0.14 0.00 0.00 0.00 173.10 174.05 1ykn s VAL 113 N -3.66 4.37 0.22 1.40 1.01 -1.26 -4.42 120.40 118.05 1ykn s VAL 113 Ca 0.72 2.06 0.09 0.00 0.00 0.00 0.00 61.98 64.84 1ykn s VAL 113 Cb -0.04 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1ykn s VAL 113 CO 0.50 0.38 -0.16 0.68 0.00 0.00 0.00 175.10 176.51 1ykn s VAL 114 N -0.41 1.92 0.13 2.92 -7.23 -1.26 -4.48 120.40 112.00 1ykn s VAL 114 Ca 0.45 -2.23 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1ykn s VAL 114 Cb -0.24 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.56 1ykn s VAL 114 CO 0.30 -0.53 0.34 0.20 -0.31 0.00 0.00 175.10 175.11 1ykn s ASN 115 N -3.30 6.45 1.03 4.85 0.01 -1.26 -1.04 114.94 121.67 1ykn s ASN 115 Ca 0.24 0.50 -0.10 0.00 -0.71 0.00 0.00 52.86 52.79 1ykn s ASN 115 Cb -0.02 -2.05 0.13 0.00 0.41 0.00 0.00 41.25 39.72 1ykn s ASN 115 CO 0.09 0.06 0.71 -0.46 -1.51 0.00 0.00 177.10 175.99 1ykn n ASN 116 N 0.02 -0.27 -0.03 -1.22 6.94 -0.02 -4.86 115.26 115.82 1ykn n ASN 116 Ca -0.03 -1.19 -0.07 0.00 -0.02 0.00 0.00 54.58 53.27 1ykn n ASN 116 Cb 0.52 -0.56 0.11 0.00 -2.36 0.00 0.00 39.78 37.49 1ykn n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykn h ALA 117 N -1.99 0.89 0.00 -2.53 0.00 -1.99 -1.98 119.26 111.68 1ykn h ALA 117 Ca -0.24 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ykn h ALA 117 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ykn h ALA 117 CO 0.16 0.63 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1ykn n ALA 118 N -2.50 2.00 -0.44 0.00 0.00 -1.26 -4.92 120.51 113.39 1ykn n ALA 118 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ykn n ALA 118 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1ykn n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykn n GLY 119 N 0.17 0.57 3.68 0.00 0.00 -0.74 -5.02 105.19 103.85 1ykn n GLY 119 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ykn n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykn s VAL 120 N -1.90 4.48 0.31 1.61 1.01 -1.26 -4.73 120.40 119.92 1ykn s VAL 120 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.47 1ykn s VAL 120 Cb 0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1ykn s VAL 120 CO 0.00 -0.04 1.41 -2.16 0.00 0.00 0.00 175.10 174.30 1ykn s PRO 121 N 2.48 4.26 0.28 2.72 0.04 -1.26 -0.84 135.00 142.68 1ykn s PRO 121 Ca 0.52 2.34 -0.02 0.00 0.04 0.00 0.00 61.00 63.88 1ykn s PRO 121 Cb -0.21 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1ykn s PRO 121 CO 0.17 -0.37 0.50 -1.64 0.04 0.00 0.00 177.00 175.71 1ykn s MET 122 N -1.29 3.56 0.90 4.56 -1.94 -0.20 -4.35 119.30 120.54 1ykn s MET 122 Ca 0.54 -0.18 -0.11 0.00 -1.71 0.00 0.00 55.69 54.23 1ykn s MET 122 Cb -0.42 -2.71 0.13 0.00 2.01 0.00 0.00 34.83 33.84 1ykn s MET 122 CO 0.51 0.25 1.10 0.00 -0.01 0.00 0.00 175.02 176.87 1ykn s ALA 123 N -2.08 1.48 0.13 3.03 0.00 -1.26 -4.29 121.76 118.76 1ykn s ALA 123 Ca 0.41 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1ykn s ALA 123 Cb -0.10 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1ykn s ALA 123 CO 0.31 -2.48 1.63 -2.14 0.00 0.00 0.00 175.76 173.08 1ykn s PRO 124 N -4.80 4.20 0.07 0.00 0.02 -1.26 -4.87 135.00 128.35 1ykn s PRO 124 Ca 0.64 2.39 -0.04 0.00 0.02 0.00 0.00 61.00 64.01 1ykn s PRO 124 Cb -0.20 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 30.97 1ykn s PRO 124 CO 0.58 -0.68 0.07 -3.38 -0.33 0.00 0.00 177.00 173.26 1ykn s HIS 125 N 1.77 0.37 -0.14 6.54 -3.43 -1.26 -4.36 115.29 114.78 1ykn s HIS 125 Ca 0.73 -0.87 0.01 0.00 -0.80 0.00 0.00 55.06 54.13 1ykn s HIS 125 Cb -0.43 -0.25 -0.00 0.00 -1.43 0.00 0.00 32.58 30.47 1ykn s HIS 125 CO 0.32 -0.46 -0.16 0.42 -2.00 0.00 0.00 174.74 172.86 1ykn s ILE 126 N -3.90 2.67 -0.07 -5.38 1.01 -0.52 -4.60 121.20 110.40 1ykn s ILE 126 Ca 0.07 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 1ykn s ILE 126 Cb 0.07 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1ykn s ILE 126 CO -0.10 0.52 0.75 0.20 0.00 0.00 0.00 174.94 176.31 1ykn s ASN 127 N 0.66 7.03 -0.02 3.58 0.01 0.83 -1.12 114.94 125.91 1ykn s ASN 127 Ca -0.08 1.24 0.07 0.00 -0.71 0.00 0.00 52.86 53.38 1ykn s ASN 127 Cb -0.16 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1ykn s ASN 127 CO 0.02 -0.16 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.59 1ykn s ILE 128 N 0.97 1.84 -0.14 0.60 1.01 -0.67 -1.50 121.20 123.31 1ykn s ILE 128 Ca 0.39 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1ykn s ILE 128 Cb -0.18 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1ykn s ILE 128 CO 0.19 0.52 -0.18 -0.44 0.00 0.00 0.00 174.94 175.03 1ykn s SER 129 N -0.50 2.78 -0.16 3.58 0.01 0.41 -0.78 113.70 119.04 1ykn s SER 129 Ca 0.08 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 1ykn s SER 129 Cb -0.09 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.84 1ykn s SER 129 CO -0.00 0.02 0.02 -0.22 0.41 0.00 0.00 173.24 173.46 1ykn s LEU 130 N 1.09 3.57 0.08 2.44 2.96 0.08 -1.68 118.68 127.22 1ykn s LEU 130 Ca -0.03 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1ykn s LEU 130 Cb -0.14 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1ykn s LEU 130 CO -0.05 0.20 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.71 1ykn s PHE 131 N 0.19 1.02 -0.11 5.38 0.40 -0.70 -1.53 117.98 122.64 1ykn s PHE 131 Ca 0.01 -0.55 -0.33 0.00 -0.60 0.00 0.00 56.93 55.46 1ykn s PHE 131 Cb -0.13 -0.57 0.15 0.00 0.51 0.00 0.00 43.02 42.97 1ykn s PHE 131 CO 0.02 0.00 1.44 0.00 0.70 0.00 0.00 175.22 177.37 1ykn s ALA 132 N -1.80 -2.50 0.40 5.36 0.00 -1.26 -1.37 121.76 120.60 1ykn s ALA 132 Ca -0.01 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.70 1ykn s ALA 132 Cb -0.07 0.19 -0.10 0.00 0.00 0.00 0.00 23.12 23.14 1ykn s ALA 132 CO 0.01 -1.03 1.45 -0.98 0.00 0.00 0.00 175.76 175.20 1ykn s ARG 133 N -2.03 3.95 0.00 0.00 1.70 -1.25 -1.30 118.95 120.02 1ykn s ARG 133 Ca 0.15 2.47 0.00 0.00 -0.47 0.00 0.00 55.73 57.88 1ykn s ARG 133 Cb 0.07 -2.84 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 1ykn s ARG 133 CO -0.07 -0.63 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 1ykn n GLY 134 N 0.53 2.83 3.54 3.88 0.00 -1.26 -4.96 105.19 109.76 1ykn n GLY 134 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1ykn n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykn s ILE 135 N -1.98 5.28 0.16 -0.61 1.01 -0.42 -4.98 121.20 119.66 1ykn s ILE 135 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1ykn s ILE 135 Cb 0.00 -3.67 -0.13 0.00 0.01 0.00 0.00 42.46 38.67 1ykn s ILE 135 CO 0.00 0.05 1.38 0.78 0.00 0.00 0.00 174.94 177.15 1ykn h ASN 136 N 8.46 0.54 -3.59 3.58 2.35 -1.90 -3.33 115.58 121.68 1ykn h ASN 136 Ca -0.32 -0.37 -0.22 0.00 -0.55 0.00 0.00 56.30 54.83 1ykn h ASN 136 Cb 1.16 -0.16 -0.30 0.00 0.05 0.00 0.00 38.32 39.08 1ykn h ASN 136 CO 0.62 1.14 -0.59 -0.51 -1.65 0.00 0.00 177.43 176.43 1ykn s ILE 137 N -3.53 -0.03 0.73 2.81 2.07 -1.26 -3.03 121.20 118.96 1ykn s ILE 137 Ca -0.06 0.10 -0.16 0.00 -1.41 0.00 0.00 60.65 59.12 1ykn s ILE 137 Cb 0.10 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.49 1ykn s ILE 137 CO 0.85 0.04 1.00 0.00 -1.91 0.00 0.00 174.94 174.93 1ykn n HIS 138 N 3.66 0.77 -3.95 3.50 1.44 -1.26 -5.00 115.22 114.39 1ykn n HIS 138 Ca -0.20 0.39 -0.35 0.00 -2.01 0.00 0.00 57.72 55.55 1ykn n HIS 138 Cb 0.55 -2.09 -0.08 0.00 0.12 0.00 0.00 29.99 28.49 1ykn n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykn s LEU 139 N -3.42 4.03 -0.15 2.39 1.43 -0.58 -4.89 118.68 117.49 1ykn s LEU 139 Ca 0.74 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.97 1ykn s LEU 139 Cb -0.34 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1ykn s LEU 139 CO 0.50 0.26 0.15 -1.00 0.23 0.00 0.00 176.35 176.49 1ykn s HIS 140 N -0.12 3.52 0.32 0.29 3.76 -1.26 -0.74 115.29 121.06 1ykn s HIS 140 Ca 0.08 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1ykn s HIS 140 Cb -0.12 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 1ykn s HIS 140 CO 0.01 0.53 0.38 -0.08 -0.85 0.00 0.00 174.74 174.73 1ykn s THR 141 N -0.39 0.00 -0.03 1.30 -1.32 0.04 -1.55 115.64 113.69 1ykn s THR 141 Ca 0.12 -1.75 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 1ykn s THR 141 Cb -0.12 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.32 1ykn s THR 141 CO 0.02 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.20 1ykn s ARG 142 N -3.34 1.14 -0.24 7.08 0.52 -1.26 -1.67 118.95 121.17 1ykn s ARG 142 Ca 0.34 -0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 1ykn s ARG 142 Cb 0.01 -1.03 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 1ykn s ARG 142 CO 0.21 0.10 0.39 -1.17 0.02 0.00 0.00 175.30 174.84 1ykn s LEU 143 N 0.31 4.09 0.43 2.53 0.20 -0.28 -4.73 118.68 121.22 1ykn s LEU 143 Ca -0.06 0.39 0.07 0.00 0.69 0.00 0.00 54.13 55.22 1ykn s LEU 143 Cb -0.10 -2.47 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1ykn s LEU 143 CO 0.01 -0.14 0.19 -0.31 -0.29 0.00 0.00 176.35 175.81 1ykn s TYR 144 N 1.76 2.50 -0.07 5.38 1.51 -0.48 -1.44 117.35 126.50 1ykn s TYR 144 Ca 0.17 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1ykn s TYR 144 Cb -0.15 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1ykn s TYR 144 CO 0.09 0.13 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.49 1ykn s PHE 145 N -2.62 2.83 -0.42 2.71 0.40 -1.26 0.08 117.98 119.69 1ykn s PHE 145 Ca 0.39 -0.14 0.24 0.00 -0.60 0.00 0.00 56.93 56.82 1ykn s PHE 145 Cb 0.03 -1.71 1.02 0.00 0.51 0.00 0.00 43.02 42.88 1ykn s PHE 145 CO 0.22 0.19 1.72 -0.40 0.70 0.00 0.00 175.22 177.65 1ykn n ASP 146 N 2.48 0.70 -1.12 1.36 5.68 -0.71 -2.08 116.55 122.86 1ykn n ASP 146 Ca -0.18 0.68 0.10 0.00 -0.50 0.00 0.00 54.79 54.90 1ykn n ASP 146 Cb 0.53 -0.83 0.27 0.00 -1.14 0.00 0.00 41.12 39.95 1ykn n ASP 146 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ykn n ASP 147 N -2.29 3.27 -1.87 -1.12 5.75 -1.26 -3.94 116.55 115.09 1ykn n ASP 147 Ca 0.02 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 1ykn n ASP 147 Cb 0.22 -0.39 0.05 0.00 -1.03 0.00 0.00 41.12 39.97 1ykn n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykn n GLU 148 N 1.29 3.23 0.05 0.11 -0.58 -0.88 -4.90 120.64 118.95 1ykn n GLU 148 Ca 0.20 -3.94 0.16 0.00 -0.42 0.00 0.00 57.16 53.16 1ykn n GLU 148 Cb 0.52 -2.19 0.65 0.00 -0.57 0.00 0.00 31.44 29.85 1ykn n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykn h ALA 149 N 1.98 2.30 -0.13 0.62 0.00 -1.76 -1.08 119.26 121.21 1ykn h ALA 149 Ca 0.35 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1ykn h ALA 149 Cb 1.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ykn h ALA 149 CO 0.75 -0.42 -0.26 1.96 0.00 0.00 0.00 179.25 181.28 1ykn h GLN 150 N 0.07 0.40 -0.16 0.00 4.20 -1.94 -2.28 115.11 115.40 1ykn h GLN 150 Ca 0.20 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1ykn h GLN 150 Cb 0.69 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1ykn h GLN 150 CO -0.01 0.87 -0.36 0.00 -0.67 0.00 0.00 178.83 178.65 1ykn h ALA 151 N 0.53 1.09 -0.33 3.87 0.00 -1.94 -3.01 119.26 119.47 1ykn h ALA 151 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1ykn h ALA 151 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ykn h ALA 151 CO 0.06 0.58 -0.17 -0.91 0.00 0.00 0.00 179.25 178.81 1ykn h ASN 152 N 0.29 0.60 0.92 0.00 2.35 -1.12 0.51 115.58 119.13 1ykn h ASN 152 Ca 0.03 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ykn h ASN 152 Cb 0.78 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1ykn h ASN 152 CO 0.06 0.78 0.00 0.00 -1.65 0.00 0.00 177.43 176.62 1ykn h ALA 153 N 1.27 1.00 -0.01 -0.83 0.00 -1.27 -3.05 119.26 116.38 1ykn h ALA 153 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ykn h ALA 153 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ykn h ALA 153 CO 0.04 0.00 -0.45 1.63 0.00 0.00 0.00 179.25 180.47 1ykn n LYS 154 N -2.94 2.22 -1.68 0.00 5.02 -0.78 -4.91 118.16 115.09 1ykn n LYS 154 Ca 0.01 -0.38 -0.47 0.00 -2.02 0.00 0.00 58.31 55.45 1ykn n LYS 154 Cb 0.28 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1ykn n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ykn n PRO 156 N 5.91 0.11 -0.09 0.00 -0.04 -1.26 -1.84 135.00 137.78 1ykn n PRO 156 Ca 0.21 0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.71 1ykn n PRO 156 Cb 0.31 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1ykn n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykn h VAL 157 N 0.00 0.75 -0.98 0.52 2.07 -1.94 -3.33 116.25 113.34 1ykn h VAL 157 Ca 0.00 -1.92 0.10 0.00 0.82 0.00 0.00 66.70 65.70 1ykn h VAL 157 Cb 0.13 1.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 1ykn h VAL 157 CO 0.00 0.25 0.61 -0.07 0.02 0.00 0.00 177.57 178.39 1ykn h LEU 158 N -1.00 0.93 0.00 2.57 4.07 -1.87 0.28 115.31 120.29 1ykn h LEU 158 Ca -0.25 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1ykn h LEU 158 Cb 1.09 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1ykn h LEU 158 CO -0.15 0.53 0.00 0.59 -1.08 0.00 0.00 178.44 178.33 1ykn n ASN 159 N -4.60 0.00 0.03 -0.43 3.02 -0.77 -2.04 115.26 110.47 1ykn n ASN 159 Ca 0.17 -0.64 0.12 0.00 -0.03 0.00 0.00 54.58 54.20 1ykn n ASN 159 Cb 0.29 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.61 1ykn n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ykn n LEU 160 N -0.83 0.62 -4.60 3.41 4.77 0.98 -4.69 117.00 116.66 1ykn n LEU 160 Ca 0.08 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 1ykn n LEU 160 Cb 0.04 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1ykn n LEU 160 CO 0.06 0.04 0.77 -0.63 -1.33 0.00 0.00 177.39 176.29 1ykn s ILE 161 N -3.12 4.57 0.19 -0.08 1.01 -0.87 -4.92 121.20 117.98 1ykn s ILE 161 Ca 0.07 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 61.76 1ykn s ILE 161 Cb 0.15 -4.35 0.11 0.00 0.01 0.00 0.00 42.46 38.38 1ykn s ILE 161 CO 0.74 -0.57 1.79 -0.33 0.00 0.00 0.00 174.94 176.56 1ykn h GLU 162 N 8.55 0.53 -5.15 2.79 5.08 -1.88 -3.42 114.58 121.07 1ykn h GLU 162 Ca -0.23 -0.03 -0.62 0.00 -1.00 0.00 0.00 59.36 57.48 1ykn h GLU 162 Cb 1.08 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.07 1ykn h GLU 162 CO 0.99 0.35 -0.51 -0.65 -1.00 0.00 0.00 179.01 178.19 1ykn s GLN 163 N -6.11 4.08 0.30 2.33 -1.52 -1.26 -5.00 119.66 112.48 1ykn s GLN 163 Ca -0.13 -0.27 0.05 0.00 -1.95 0.00 0.00 55.36 53.06 1ykn s GLN 163 Cb 0.15 -3.47 0.68 0.00 -0.22 0.00 0.00 33.01 30.15 1ykn s GLN 163 CO 0.74 0.14 1.79 -1.35 -0.25 0.00 0.00 175.29 176.36 1ykn h PRO 164 N 7.24 0.81 0.00 2.91 0.10 -1.99 -0.44 132.00 140.62 1ykn h PRO 164 Ca -0.39 -0.05 -0.02 0.00 0.10 0.00 0.00 66.00 65.65 1ykn h PRO 164 Cb 1.16 -0.18 -0.00 0.00 0.10 0.00 0.00 31.00 32.08 1ykn h PRO 164 CO 0.68 0.53 -0.08 1.96 0.10 0.00 0.00 178.00 181.19 1ykn h GLN 165 N 0.83 0.00 0.05 1.05 7.50 -1.97 -2.71 115.11 119.86 1ykn h GLN 165 Ca 0.56 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 59.45 1ykn h GLN 165 Cb 0.78 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.29 1ykn h GLN 165 CO -0.35 0.08 -1.29 0.00 -1.50 0.00 0.00 178.83 175.77 1ykn h ARG 166 N 0.00 0.11 -0.59 1.46 3.08 -1.47 -3.26 114.38 113.70 1ykn h ARG 166 Ca -0.00 -0.18 0.11 0.00 0.07 0.00 0.00 59.98 59.98 1ykn h ARG 166 Cb 0.31 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1ykn h ARG 166 CO 0.01 0.98 0.40 0.00 -1.07 0.00 0.00 179.97 180.29 1ykn h ARG 167 N 0.03 0.31 0.00 0.04 3.08 -1.36 -2.16 114.38 114.33 1ykn h ARG 167 Ca -0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1ykn h ARG 167 Cb 1.90 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.88 1ykn h ARG 167 CO 0.14 0.21 -0.04 0.93 -1.07 0.00 0.00 179.97 180.14 1ykn h GLU 168 N 0.32 0.00 0.00 0.04 5.08 -1.59 -2.36 114.58 116.07 1ykn h GLU 168 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1ykn h GLU 168 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ykn h GLU 168 CO -0.07 0.04 0.00 1.79 -1.00 0.00 0.00 179.01 179.77 1ykn h THR 169 N 0.00 0.00 -0.36 1.13 1.35 -1.56 -2.36 112.91 111.11 1ykn h THR 169 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1ykn h THR 169 Cb 0.29 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1ykn h THR 169 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 1ykn n LEU 170 N -2.40 3.06 -4.19 3.87 4.77 -0.89 -4.80 117.00 116.42 1ykn n LEU 170 Ca 0.02 -1.33 -0.38 0.00 -0.03 0.00 0.00 56.01 54.29 1ykn n LEU 170 Cb 0.27 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 1ykn n LEU 170 CO 0.23 0.67 -0.17 -0.63 -1.33 0.00 0.00 177.39 176.15 1ykn s ILE 171 N -1.53 3.65 0.31 -0.08 1.01 -0.89 -1.38 121.20 122.29 1ykn s ILE 171 Ca 0.37 -1.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.06 1ykn s ILE 171 Cb 0.21 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 1ykn s ILE 171 CO 0.30 -0.53 1.42 0.00 0.00 0.00 0.00 174.94 176.13 1ykn s ALA 172 N 1.28 3.58 -0.34 9.38 0.00 0.11 -4.79 121.76 130.98 1ykn s ALA 172 Ca 0.04 1.39 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1ykn s ALA 172 Cb -0.23 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.34 1ykn s ALA 172 CO -0.01 -0.81 0.58 0.15 0.00 0.00 0.00 175.76 175.67 1ykn s LYS 173 N -1.31 3.73 0.21 0.00 -0.14 -0.53 -1.73 119.74 119.97 1ykn s LYS 173 Ca 0.54 0.04 -0.32 0.00 -1.36 0.00 0.00 55.97 54.87 1ykn s LYS 173 Cb -0.43 -3.78 -0.13 0.00 -1.68 0.00 0.00 37.83 31.81 1ykn s LYS 173 CO 0.52 -0.64 1.55 -2.13 -0.76 0.00 0.00 175.35 173.89 1ykn n ARG 174 N 5.87 2.29 -0.73 1.68 0.63 -1.26 -1.39 116.66 123.75 1ykn n ARG 174 Ca -0.03 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 1ykn n ARG 174 Cb 0.49 -2.57 0.00 0.00 0.45 0.00 0.00 32.46 30.83 1ykn n ARG 174 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ykn s GLU 176 N -0.58 0.12 -0.16 0.00 2.02 -1.26 -2.12 118.70 116.71 1ykn s GLU 176 Ca 0.00 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.18 1ykn s GLU 176 Cb 0.00 -0.44 0.02 0.00 0.10 0.00 0.00 34.13 33.81 1ykn s GLU 176 CO 0.00 -0.20 -0.17 0.08 0.02 0.00 0.00 175.26 174.99 1ykn s VAL 177 N 1.34 1.84 -1.28 2.63 1.01 -0.88 -4.61 120.40 120.45 1ykn s VAL 177 Ca -0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1ykn s VAL 177 Cb -0.13 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1ykn s VAL 177 CO -0.03 0.50 0.31 0.47 0.00 0.00 0.00 175.10 176.35 1ykn n ASP 178 N 4.66 -4.37 0.00 3.32 8.00 -1.26 -1.72 116.55 125.19 1ykn n ASP 178 Ca -0.19 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1ykn n ASP 178 Cb 0.50 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 1ykn n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykn n GLY 179 N -1.10 0.58 3.57 0.44 0.00 -1.26 -5.01 105.19 102.41 1ykn n GLY 179 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1ykn n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykn s LYS 180 N -0.03 2.68 0.22 1.61 2.47 -0.70 -5.05 119.74 120.94 1ykn s LYS 180 Ca 0.00 -0.60 -0.32 0.00 -1.56 0.00 0.00 55.97 53.49 1ykn s LYS 180 Cb 0.00 -2.55 -0.12 0.00 -1.46 0.00 0.00 37.83 33.70 1ykn s LYS 180 CO 0.00 0.65 1.68 2.41 0.16 0.00 0.00 175.35 180.25 1ykn n THR 181 N 2.09 0.20 -3.82 3.43 -1.04 -1.26 -2.07 114.28 111.81 1ykn n THR 181 Ca -0.17 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 1ykn n THR 181 Cb 0.53 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 67.03 1ykn n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ykn s ALA 182 N 0.91 -0.49 -0.06 2.41 0.00 -0.90 -1.73 121.76 121.90 1ykn s ALA 182 Ca 0.73 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1ykn s ALA 182 Cb -0.53 0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1ykn s ALA 182 CO 0.36 -0.34 -0.10 0.71 0.00 0.00 0.00 175.76 176.40 1ykn s TYR 183 N -2.21 1.26 -0.20 0.00 1.51 -0.57 -1.94 117.35 115.21 1ykn s TYR 183 Ca -0.08 -0.45 -0.13 0.00 -1.01 0.00 0.00 57.07 55.41 1ykn s TYR 183 Cb -0.03 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.82 1ykn s TYR 183 CO -0.02 -0.26 0.24 0.50 -1.11 0.00 0.00 175.55 174.91 1ykn s ARG 184 N 0.75 4.17 -0.48 -0.62 3.52 -0.49 -2.28 118.95 123.53 1ykn s ARG 184 Ca -0.13 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 1ykn s ARG 184 Cb -0.15 -3.48 0.14 0.00 -1.56 0.00 0.00 34.95 29.89 1ykn s ARG 184 CO 0.02 0.13 0.28 0.12 -0.81 0.00 0.00 175.30 175.05 1ykn s PHE 185 N 0.82 2.28 0.16 5.12 5.36 -0.06 -1.45 117.98 130.21 1ykn s PHE 185 Ca 0.13 -2.64 -0.30 0.00 -0.96 0.00 0.00 56.93 53.16 1ykn s PHE 185 Cb -0.13 -2.05 -0.07 0.00 -0.34 0.00 0.00 43.02 40.43 1ykn s PHE 185 CO 0.04 -0.75 0.94 -0.51 -1.46 0.00 0.00 175.22 173.47 1ykn s ASP 186 N 0.02 7.54 -0.10 6.13 1.01 -1.26 -4.15 116.67 125.86 1ykn s ASP 186 Ca 0.20 1.83 -0.01 0.00 0.71 0.00 0.00 52.55 55.28 1ykn s ASP 186 Cb -0.20 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1ykn s ASP 186 CO -0.03 0.04 -0.05 -0.63 0.21 0.00 0.00 175.17 174.70 1ykn s ILE 187 N -0.52 3.80 -0.22 0.77 1.01 -0.24 -4.95 121.20 120.84 1ykn s ILE 187 Ca 0.44 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1ykn s ILE 187 Cb -0.24 -2.59 0.04 0.00 0.01 0.00 0.00 42.46 39.67 1ykn s ILE 187 CO 0.30 0.56 -0.15 -0.13 0.00 0.00 0.00 174.94 175.52 1ykn s ARG 188 N -0.39 2.61 0.14 2.79 0.52 -1.26 -1.10 118.95 122.25 1ykn s ARG 188 Ca 0.06 -1.09 -0.09 0.00 -0.52 0.00 0.00 55.73 54.09 1ykn s ARG 188 Cb -0.12 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.55 1ykn s ARG 188 CO 0.02 -0.39 1.39 0.82 0.02 0.00 0.00 175.30 177.16 1ykn h ILE 189 N 6.36 1.30 -3.48 1.52 2.04 -1.43 -1.34 117.51 122.48 1ykn h ILE 189 Ca -0.32 -1.89 -0.16 0.00 1.00 0.00 0.00 64.86 63.49 1ykn h ILE 189 Cb 1.09 1.85 -0.22 0.00 -0.74 0.00 0.00 36.82 38.80 1ykn h ILE 189 CO 0.55 0.60 -0.50 -1.58 0.00 0.00 0.00 178.15 177.21 1ykn s GLN 190 N -3.89 0.41 0.00 2.37 0.74 -1.26 -4.78 119.66 113.24 1ykn s GLN 190 Ca -0.09 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1ykn s GLN 190 Cb 0.10 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.38 1ykn s GLN 190 CO 0.88 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.94 1ykn n GLY 191 N 1.84 -1.75 3.70 2.59 0.00 -1.26 -4.07 105.19 106.23 1ykn n GLY 191 Ca -0.20 -2.04 -0.57 0.00 0.00 0.00 0.00 46.02 43.21 1ykn n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykn n GLU 192 N 0.00 1.15 -1.78 1.61 2.13 -1.26 -1.59 120.64 120.89 1ykn n GLU 192 Ca 0.00 0.42 -0.06 0.00 0.66 0.00 0.00 57.16 58.18 1ykn n GLU 192 Cb 0.00 -2.10 -0.01 0.00 0.27 0.00 0.00 31.44 29.60 1ykn n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ykn n GLY 193 N 3.97 0.37 3.72 8.31 0.00 -1.26 -4.95 105.19 115.36 1ykn n GLY 193 Ca 0.25 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1ykn n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 194 N -3.66 4.12 0.34 1.61 2.12 -0.62 -4.64 118.70 117.96 1ykn s GLU 194 Ca 0.00 2.61 -0.29 0.00 0.36 0.00 0.00 54.97 57.65 1ykn s GLU 194 Cb 0.00 -3.07 -0.11 0.00 0.26 0.00 0.00 34.13 31.22 1ykn s GLU 194 CO 0.00 -0.74 1.40 0.99 -0.54 0.00 0.00 175.26 176.37 1ykn s THR 195 N 1.03 2.42 0.27 -1.70 2.01 -0.51 -4.95 115.64 114.22 1ykn s THR 195 Ca 0.73 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 1ykn s THR 195 Cb -0.50 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1ykn s THR 195 CO 0.34 0.09 1.28 -0.69 -0.69 0.00 0.00 174.62 174.96 1ykn s VAL 196 N -0.97 3.00 0.05 3.82 1.01 -1.26 -4.95 120.40 121.10 1ykn s VAL 196 Ca 0.52 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1ykn s VAL 196 Cb -0.43 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1ykn s VAL 196 CO 0.56 0.19 -0.21 -0.36 0.00 0.00 0.00 175.10 175.27 1ykn s PHE 197 N -0.64 1.83 0.32 5.22 0.08 -1.26 -4.68 117.98 118.85 1ykn s PHE 197 Ca 0.52 -0.38 0.09 0.00 0.12 0.00 0.00 56.93 57.27 1ykn s PHE 197 Cb -0.38 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1ykn s PHE 197 CO 0.45 0.11 0.10 -0.06 -0.10 0.00 0.00 175.22 175.73 1ykn s PHE 198 N -0.86 2.71 -0.01 0.36 0.08 -0.60 -4.99 117.98 114.67 1ykn s PHE 198 Ca 0.08 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.80 1ykn s PHE 198 Cb -0.09 -1.52 -0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1ykn s PHE 198 CO 0.02 0.42 -0.07 0.34 -0.10 0.00 0.00 175.22 175.83 1ykn s ASP 199 N -3.80 0.80 0.00 1.36 3.68 -1.26 -4.26 116.67 113.19 1ykn s ASP 199 Ca 0.36 -0.12 0.00 0.00 2.13 0.00 0.00 52.55 54.92 1ykn s ASP 199 Cb -0.03 -0.12 0.00 0.00 -1.45 0.00 0.00 42.92 41.32 1ykn s ASP 199 CO 0.22 0.07 0.00 2.22 0.13 0.00 0.00 175.17 177.81