#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 4.94 -0.11 4.25 -1.09 -1.26 -5.04 121.20 122.88 1ykn s ILE 2 Ca 0.00 1.58 -0.02 0.00 -2.23 0.00 0.00 60.65 59.97 1ykn s ILE 2 Cb 0.00 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1ykn s ILE 2 CO 0.00 0.10 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.19 1ykn s GLU 3 N 1.68 3.25 0.53 2.79 0.41 -1.26 -5.14 118.70 120.96 1ykn s GLU 3 Ca 0.38 -0.46 0.09 0.00 -0.41 0.00 0.00 54.97 54.57 1ykn s GLU 3 Cb -0.17 -2.83 0.06 0.00 -1.78 0.00 0.00 34.13 29.41 1ykn s GLU 3 CO 0.15 0.51 0.71 -0.51 -0.49 0.00 0.00 175.26 175.63 1ykn s LEU 4 N -0.36 3.25 0.43 1.80 1.02 -1.26 -5.06 118.68 118.50 1ykn s LEU 4 Ca 0.06 -0.74 -0.26 0.00 0.02 0.00 0.00 54.13 53.22 1ykn s LEU 4 Cb -0.12 -1.91 -0.09 0.00 0.02 0.00 0.00 46.19 44.09 1ykn s LEU 4 CO 0.02 -1.16 1.38 0.18 0.02 0.00 0.00 176.35 176.79 1ykn n LEU 5 N -2.11 4.69 -4.80 1.79 4.77 -1.26 -4.96 117.00 115.13 1ykn n LEU 5 Ca 0.13 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.89 1ykn n LEU 5 Cb 0.61 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.08 1ykn n LEU 5 CO 0.40 -0.31 0.69 -2.84 -1.33 0.00 0.00 177.39 174.00 1ykn s PRO 6 N -2.33 4.04 0.50 3.23 0.02 -1.26 -5.02 135.00 134.19 1ykn s PRO 6 Ca 0.60 1.31 -0.22 0.00 0.02 0.00 0.00 61.00 62.71 1ykn s PRO 6 Cb -0.47 -2.24 -0.06 0.00 0.02 0.00 0.00 34.50 31.75 1ykn s PRO 6 CO 0.58 -0.21 1.25 -2.00 -0.33 0.00 0.00 177.00 176.29 1ykn s GLU 7 N -3.02 3.44 0.06 5.54 2.12 -1.26 -4.94 118.70 120.64 1ykn s GLU 7 Ca 0.63 1.99 -0.32 0.00 0.36 0.00 0.00 54.97 57.63 1ykn s GLU 7 Cb -0.15 -2.32 -0.11 0.00 0.26 0.00 0.00 34.13 31.81 1ykn s GLU 7 CO 0.19 -0.87 1.86 2.41 -0.54 0.00 0.00 175.26 178.32 1ykn n THR 8 N -0.78 0.50 -1.78 -1.70 -1.04 -1.26 -4.91 114.28 103.30 1ykn n THR 8 Ca 0.09 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1ykn n THR 8 Cb 0.47 -2.07 0.06 0.00 -1.82 0.00 0.00 70.33 66.96 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 3.35 2.81 0.63 -2.82 0.02 -1.26 -5.01 135.00 132.72 1ykn s PRO 9 Ca 0.86 2.11 -0.16 0.00 0.02 0.00 0.00 61.00 63.83 1ykn s PRO 9 Cb -0.53 -2.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.96 1ykn s PRO 9 CO 0.42 -1.41 1.11 0.45 -0.33 0.00 0.00 177.00 177.24 1ykn s SER 10 N -1.24 5.29 0.06 2.53 0.15 -1.26 -5.09 113.70 114.14 1ykn s SER 10 Ca 0.78 2.02 0.02 0.00 0.70 0.00 0.00 55.95 59.47 1ykn s SER 10 Cb -0.38 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.34 1ykn s SER 10 CO 0.42 -1.51 -0.06 -1.10 1.20 0.00 0.00 173.24 172.19 1ykn s GLN 11 N -3.93 0.62 0.68 5.44 -1.52 -1.22 -4.93 119.66 114.80 1ykn s GLN 11 Ca 0.68 -0.99 -0.17 0.00 -1.95 0.00 0.00 55.36 52.93 1ykn s GLN 11 Cb -0.21 -0.18 -0.02 0.00 -0.22 0.00 0.00 33.01 32.39 1ykn s GLN 11 CO 0.38 0.00 0.88 -2.37 -0.25 0.00 0.00 175.29 173.94 1ykn n THR 12 N 0.81 2.98 0.18 -0.19 5.66 -1.18 -4.79 114.28 117.75 1ykn n THR 12 Ca -0.18 -0.42 0.05 0.00 -3.05 0.00 0.00 64.05 60.44 1ykn n THR 12 Cb 0.57 -1.05 0.25 0.00 -1.55 0.00 0.00 70.33 68.56 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 -0.02 0.88 0.00 1.79 0.00 -1.74 -3.49 119.26 116.67 1ykn h ALA 13 Ca -0.47 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1ykn h ALA 13 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ykn h ALA 13 CO 0.47 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1ykn n GLY 14 N 0.57 -1.51 0.31 0.00 0.00 -1.26 -4.00 105.19 99.29 1ykn n GLY 14 Ca 0.01 -1.55 -0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 0.75 -0.90 1.61 0.13 -1.93 -3.11 132.00 128.54 1ykn h PRO 15 Ca 0.00 -0.10 -0.49 0.00 -0.87 0.00 0.00 66.00 64.54 1ykn h PRO 15 Cb 0.00 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 30.71 1ykn h PRO 15 CO 0.00 0.61 0.56 0.66 -0.23 0.00 0.00 178.00 179.59 1ykn n TYR 16 N -4.35 2.80 -0.03 1.56 4.01 -1.26 -4.72 117.16 115.17 1ykn n TYR 16 Ca 0.04 -1.92 0.23 0.00 -0.16 0.00 0.00 57.90 56.09 1ykn n TYR 16 Cb 0.15 -0.92 0.72 0.00 -0.31 0.00 0.00 39.34 38.98 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 1.01 0.55 -0.15 -0.72 3.04 -1.67 -0.63 116.25 117.68 1ykn h VAL 17 Ca 0.57 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 66.19 1ykn h VAL 17 Cb 2.51 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.42 1ykn h VAL 17 CO 1.04 0.00 -0.26 0.45 -1.01 0.00 0.00 177.57 177.79 1ykn h HIS 18 N 0.00 0.29 0.00 3.17 3.86 -1.86 0.13 115.15 120.74 1ykn h HIS 18 Ca 0.29 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1ykn h HIS 18 Cb 1.28 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 1ykn h HIS 18 CO 0.00 0.51 -0.09 -0.84 0.86 0.00 0.00 177.93 178.36 1ykn h ILE 19 N 0.24 0.40 0.00 2.45 3.07 -1.36 0.19 117.51 122.51 1ykn h ILE 19 Ca 0.04 -0.51 -0.36 0.00 1.55 0.00 0.00 64.86 65.57 1ykn h ILE 19 Cb 0.59 1.36 -0.07 0.00 -0.27 0.00 0.00 36.82 38.43 1ykn h ILE 19 CO 0.04 0.09 -2.37 0.61 -1.05 0.00 0.00 178.15 175.47 1ykn n GLY 20 N -0.56 -0.83 0.00 0.16 0.00 0.14 -4.66 105.19 99.44 1ykn n GLY 20 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.84 1.17 -2.81 0.99 4.77 0.21 -4.85 117.00 113.64 1ykn n LEU 21 Ca -0.35 -1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 54.36 1ykn n LEU 21 Cb 1.10 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.25 1ykn n LEU 21 CO 0.38 0.29 0.21 0.00 -1.33 0.00 0.00 177.39 176.94 1ykn n ALA 22 N -0.18 -0.52 -0.30 -1.18 0.00 0.65 -4.94 120.51 114.04 1ykn n ALA 22 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 53.44 51.73 1ykn n ALA 22 Cb 0.16 -1.17 0.17 0.00 0.00 0.00 0.00 19.45 18.61 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 3.33 0.70 0.41 0.00 4.07 -1.77 -1.93 115.31 120.13 1ykn h LEU 23 Ca -0.09 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1ykn h LEU 23 Cb 1.06 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 1ykn h LEU 23 CO 0.24 0.41 -0.25 -0.08 -1.08 0.00 0.00 178.44 177.68 1ykn h GLU 24 N 0.82 -0.59 -0.99 1.13 4.81 -1.87 -2.04 114.58 115.86 1ykn h GLU 24 Ca 0.40 0.04 0.34 0.00 -0.13 0.00 0.00 59.36 60.01 1ykn h GLU 24 Cb 0.35 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 29.69 1ykn h GLU 24 CO -0.24 -0.39 0.26 0.00 -0.73 0.00 0.00 179.01 177.91 1ykn n ALA 25 N -2.41 0.74 0.68 2.92 0.00 -0.97 0.15 120.51 121.62 1ykn n ALA 25 Ca -0.08 1.03 0.07 0.00 0.00 0.00 0.00 53.44 54.47 1ykn n ALA 25 Cb 0.25 -0.88 0.36 0.00 0.00 0.00 0.00 19.45 19.19 1ykn n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ykn n ALA 26 N -2.75 1.82 -2.44 0.00 0.00 -0.76 -4.87 120.51 111.51 1ykn n ALA 26 Ca 0.30 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 1ykn n ALA 26 Cb 1.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.07 -0.20 3.87 0.00 0.00 0.39 -4.97 105.19 104.22 1ykn n GLY 27 Ca 0.07 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.50 5.51 0.66 1.61 0.01 -0.80 -5.04 114.94 114.40 1ykn s ASN 28 Ca 0.07 -0.35 -0.14 0.00 -0.71 0.00 0.00 52.86 51.72 1ykn s ASN 28 Cb -0.03 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.45 1ykn s ASN 28 CO 0.09 -0.26 1.09 -2.16 -1.51 0.00 0.00 177.10 174.35 1ykn s PRO 29 N -3.98 2.83 0.44 -0.60 0.04 -1.26 -4.27 135.00 128.21 1ykn s PRO 29 Ca 0.39 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1ykn s PRO 29 Cb -0.07 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1ykn s PRO 29 CO 0.27 -1.21 0.53 0.95 0.04 0.00 0.00 177.00 177.58 1ykn s THR 30 N -2.48 2.73 0.54 1.26 -4.23 -1.26 -4.82 115.64 107.38 1ykn s THR 30 Ca 0.65 -1.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1ykn s THR 30 Cb -0.19 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.88 1ykn s THR 30 CO 0.43 0.00 0.74 0.54 -0.54 0.00 0.00 174.62 175.80 1ykn n ARG 31 N -1.79 0.47 -0.01 3.99 1.74 -1.26 -5.00 116.66 114.79 1ykn n ARG 31 Ca 0.07 -2.62 -0.02 0.00 -0.77 0.00 0.00 57.85 54.52 1ykn n ARG 31 Cb 0.60 -0.31 0.25 0.00 -1.02 0.00 0.00 32.46 31.98 1ykn n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1ykn h ASP 32 N -0.08 0.53 -3.19 0.55 3.32 -2.08 -3.41 116.42 112.06 1ykn h ASP 32 Ca -0.25 -0.12 -0.59 0.00 0.02 0.00 0.00 57.03 56.08 1ykn h ASP 32 Cb 1.08 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.13 1ykn h ASP 32 CO 0.33 0.65 -0.83 -1.10 -1.72 0.00 0.00 179.24 176.56 1ykn s GLN 33 N -4.84 2.25 0.08 3.56 -0.21 -1.26 -5.13 119.66 114.11 1ykn s GLN 33 Ca -0.08 -0.55 0.06 0.00 0.02 0.00 0.00 55.36 54.81 1ykn s GLN 33 Cb 0.15 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 1ykn s GLN 33 CO 0.78 -0.15 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.42 1ykn s GLU 34 N 1.25 0.95 -0.49 2.91 0.41 -1.26 -5.10 118.70 117.37 1ykn s GLU 34 Ca -0.01 -1.03 -0.18 0.00 -0.41 0.00 0.00 54.97 53.35 1ykn s GLU 34 Cb -0.14 -1.06 0.06 0.00 -1.78 0.00 0.00 34.13 31.22 1ykn s GLU 34 CO -0.06 0.24 0.52 0.42 -0.49 0.00 0.00 175.26 175.89 1ykn s ILE 35 N -1.22 5.03 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.14 1ykn s ILE 35 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1ykn s ILE 35 Cb -0.10 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1ykn s ILE 35 CO 0.03 -0.70 0.00 1.87 0.00 0.00 0.00 174.94 176.14 1ykn n TRP 36 N 5.75 0.00 -0.38 3.97 -0.00 -1.26 -4.55 117.44 120.97 1ykn n TRP 36 Ca -0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.52 1ykn n TRP 36 Cb 0.45 0.00 0.32 0.00 -0.00 0.00 0.00 31.31 32.07 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 3.97 -4.20 5.87 6.94 -0.96 -1.70 115.26 125.17 1ykn n ASN 37 Ca 0.00 -2.04 -0.40 0.00 -0.02 0.00 0.00 54.58 52.12 1ykn n ASN 37 Cb 0.00 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 36.89 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 -1.07 3.36 0.32 -3.83 3.52 -1.26 -0.81 118.95 119.17 1ykn s ARG 38 Ca 0.48 -2.92 0.07 0.00 -0.13 0.00 0.00 55.73 53.23 1ykn s ARG 38 Cb 0.25 -4.12 0.53 0.00 -1.56 0.00 0.00 34.95 30.06 1ykn s ARG 38 CO 0.32 -1.24 1.75 -0.07 -0.81 0.00 0.00 175.30 175.25 1ykn h LEU 39 N 6.76 0.25 -8.11 -0.88 4.07 -1.14 -3.44 115.31 112.82 1ykn h LEU 39 Ca 0.11 -0.09 -0.58 0.00 0.08 0.00 0.00 57.88 57.40 1ykn h LEU 39 Cb 0.91 -0.07 -0.34 0.00 1.08 0.00 0.00 40.66 42.24 1ykn h LEU 39 CO 0.83 0.58 -0.84 0.00 -1.08 0.00 0.00 178.44 177.92 1ykn s ALA 40 N -4.30 1.65 0.49 1.53 0.00 -1.18 -0.50 121.76 119.45 1ykn s ALA 40 Ca -0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1ykn s ALA 40 Cb 0.14 -0.70 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1ykn s ALA 40 CO 0.76 0.14 1.10 0.15 0.00 0.00 0.00 175.76 177.91 1ykn s LYS 41 N 0.62 3.67 0.52 0.00 1.02 0.10 -4.76 119.74 120.90 1ykn s LYS 41 Ca -0.14 1.57 0.46 0.00 0.02 0.00 0.00 55.97 57.87 1ykn s LYS 41 Cb -0.16 -2.19 1.64 0.00 -0.52 0.00 0.00 37.83 36.60 1ykn s LYS 41 CO 0.04 -0.58 1.51 -2.30 -0.92 0.00 0.00 175.35 173.10 1ykn n PRO 42 N -0.87 -0.01 -0.74 -1.68 -0.02 -1.26 0.22 135.00 130.64 1ykn n PRO 42 Ca 0.09 1.07 0.08 0.00 -2.02 0.00 0.00 63.50 62.73 1ykn n PRO 42 Cb 0.51 -2.41 0.38 0.00 -0.02 0.00 0.00 33.50 31.95 1ykn n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ykn n ASP 43 N -3.99 5.19 -4.82 2.55 5.75 -1.26 -4.95 116.55 115.03 1ykn n ASP 43 Ca 0.42 -2.69 -0.35 0.00 -0.01 0.00 0.00 54.79 52.16 1ykn n ASP 43 Cb 1.88 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 41.28 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 -2.31 3.29 0.17 2.12 0.00 0.13 -5.02 121.76 120.14 1ykn s ALA 44 Ca 0.53 0.23 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 1ykn s ALA 44 Cb 0.37 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.46 1ykn s ALA 44 CO 0.20 0.27 1.59 -1.25 0.00 0.00 0.00 175.76 176.57 1ykn s PRO 45 N -2.47 4.20 0.00 0.00 0.04 -1.26 -4.91 135.00 130.60 1ykn s PRO 45 Ca 0.51 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1ykn s PRO 45 Cb -0.14 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ykn s PRO 45 CO 0.19 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1ykn n GLY 46 N 3.80 0.93 3.63 0.56 0.00 -1.26 -4.43 105.19 108.42 1ykn n GLY 46 Ca 0.14 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.00 3.99 0.16 1.61 2.12 -1.26 -4.94 118.70 119.38 1ykn s GLU 47 Ca 0.00 0.87 -0.30 0.00 0.36 0.00 0.00 54.97 55.90 1ykn s GLU 47 Cb 0.00 -3.75 -0.07 0.00 0.26 0.00 0.00 34.13 30.56 1ykn s GLU 47 CO 0.00 -0.88 1.11 -1.01 -0.54 0.00 0.00 175.26 173.94 1ykn s HIS 48 N 3.50 3.58 0.10 5.30 3.76 -1.26 -1.95 115.29 128.32 1ykn s HIS 48 Ca 0.41 1.58 0.02 0.00 -0.15 0.00 0.00 55.06 56.92 1ykn s HIS 48 Cb -0.12 -3.28 -0.04 0.00 1.11 0.00 0.00 32.58 30.24 1ykn s HIS 48 CO 0.16 -0.65 -0.08 0.96 -0.85 0.00 0.00 174.74 174.28 1ykn s ILE 49 N -0.09 0.77 -0.12 0.60 -4.36 0.05 -4.69 121.20 113.36 1ykn s ILE 49 Ca 0.50 -1.81 -0.02 0.00 -0.26 0.00 0.00 60.65 59.06 1ykn s ILE 49 Cb -0.29 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 1ykn s ILE 49 CO 0.34 -0.75 -0.03 -0.22 0.24 0.00 0.00 174.94 174.52 1ykn s LEU 50 N -2.80 3.37 -0.13 0.37 2.96 -0.16 -2.66 118.68 119.64 1ykn s LEU 50 Ca 0.09 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1ykn s LEU 50 Cb 0.02 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1ykn s LEU 50 CO -0.03 0.27 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.35 1ykn s LEU 51 N -0.26 2.48 0.05 -0.68 1.43 0.18 -0.93 118.68 120.95 1ykn s LEU 51 Ca 0.05 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1ykn s LEU 51 Cb -0.13 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1ykn s LEU 51 CO 0.02 0.14 -0.04 -1.48 0.23 0.00 0.00 176.35 175.23 1ykn s LEU 52 N 0.46 2.42 0.03 1.79 -0.00 -0.53 -1.81 118.68 121.02 1ykn s LEU 52 Ca -0.12 -0.85 -0.29 0.00 -0.00 0.00 0.00 54.13 52.88 1ykn s LEU 52 Cb -0.16 0.09 0.10 0.00 -0.00 0.00 0.00 46.19 46.22 1ykn s LEU 52 CO 0.05 -0.47 1.10 -0.83 -0.00 0.00 0.00 176.35 176.20 1ykn s GLY 53 N -2.49 -0.34 0.44 -3.48 0.00 -1.10 -0.01 107.32 100.33 1ykn s GLY 53 Ca 0.01 0.64 0.07 0.00 0.00 0.00 0.00 44.72 45.44 1ykn s GLY 53 CO -0.06 0.16 0.29 1.20 0.00 0.00 0.00 173.10 174.69 1ykn s GLN 54 N -2.85 2.34 -0.05 2.90 -0.21 -1.25 -1.09 119.66 119.45 1ykn s GLN 54 Ca 0.12 -1.77 -0.02 0.00 0.02 0.00 0.00 55.36 53.71 1ykn s GLN 54 Cb 0.01 -2.14 0.03 0.00 1.00 0.00 0.00 33.01 31.91 1ykn s GLN 54 CO -0.02 -0.24 0.04 0.08 -2.12 0.00 0.00 175.29 173.02 1ykn s VAL 55 N -2.59 0.07 0.06 1.09 1.01 -1.26 -1.47 120.40 117.31 1ykn s VAL 55 Ca 0.42 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1ykn s VAL 55 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1ykn s VAL 55 CO 0.24 0.20 0.07 -0.31 0.00 0.00 0.00 175.10 175.31 1ykn s TYR 56 N 2.03 3.19 0.00 5.22 1.51 -0.54 0.50 117.35 129.27 1ykn s TYR 56 Ca 0.04 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 1ykn s TYR 56 Cb -0.12 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1ykn s TYR 56 CO -0.04 0.52 0.00 -0.40 -1.11 0.00 0.00 175.55 174.52 1ykn n ASP 57 N 0.63 0.00 0.02 2.29 5.68 0.30 -1.82 116.55 123.65 1ykn n ASP 57 Ca -0.10 -0.30 0.13 0.00 -0.50 0.00 0.00 54.79 54.02 1ykn n ASP 57 Cb 0.52 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.94 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 5.00 -1.47 0.91 6.12 0.00 -1.26 -2.25 105.19 112.24 1ykn n GLY 58 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.70 2.71 0.00 1.61 3.02 -1.26 -4.79 115.26 114.86 1ykn n ASN 59 Ca 0.06 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1ykn n ASN 59 Cb 0.37 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 1.35 0.70 3.87 7.41 0.00 -0.96 -5.05 105.19 112.51 1ykn n GLY 60 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.33 3.57 0.22 1.61 3.76 -1.26 -4.80 115.29 116.06 1ykn s HIS 61 Ca 0.00 0.74 -0.30 0.00 -0.15 0.00 0.00 55.06 55.35 1ykn s HIS 61 Cb 0.00 -2.13 -0.09 0.00 1.11 0.00 0.00 32.58 31.47 1ykn s HIS 61 CO 0.00 0.52 1.37 -0.51 -0.85 0.00 0.00 174.74 175.27 1ykn s LEU 62 N -1.97 4.40 -0.26 0.89 1.43 -1.26 -0.54 118.68 121.37 1ykn s LEU 62 Ca 0.33 2.51 -0.17 0.00 -1.03 0.00 0.00 54.13 55.78 1ykn s LEU 62 Cb -0.14 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1ykn s LEU 62 CO 0.18 -0.60 0.46 -0.69 0.23 0.00 0.00 176.35 175.93 1ykn s VAL 63 N 0.09 5.11 -2.04 -1.59 1.01 0.18 -4.82 120.40 118.35 1ykn s VAL 63 Ca 0.58 0.76 0.21 0.00 0.00 0.00 0.00 61.98 63.53 1ykn s VAL 63 Cb -0.39 -3.78 0.47 0.00 0.00 0.00 0.00 36.38 32.69 1ykn s VAL 63 CO 0.40 0.12 1.40 0.54 0.00 0.00 0.00 175.10 177.56 1ykn n ARG 64 N 5.41 2.54 -1.41 2.72 1.74 -1.26 -4.25 116.66 122.15 1ykn n ARG 64 Ca -0.06 -2.34 0.03 0.00 -0.77 0.00 0.00 57.85 54.71 1ykn n ARG 64 Cb 0.50 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.39 1.48 -4.85 0.55 5.68 -1.25 -3.41 116.55 116.13 1ykn n ASP 65 Ca 0.20 -2.65 -0.34 0.00 -0.50 0.00 0.00 54.79 51.50 1ykn n ASP 65 Cb 0.57 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 40.11 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 -2.64 6.76 -0.14 -1.12 1.04 -1.24 -4.59 113.70 111.79 1ykn s SER 66 Ca 0.35 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.86 1ykn s SER 66 Cb 0.38 -2.29 -0.01 0.00 0.10 0.00 0.00 66.02 64.21 1ykn s SER 66 CO -0.12 -0.00 -0.16 0.12 0.98 0.00 0.00 173.24 174.06 1ykn s PHE 67 N -1.66 2.75 0.03 5.02 5.36 0.33 -2.06 117.98 127.76 1ykn s PHE 67 Ca 0.44 -0.89 0.09 0.00 -0.96 0.00 0.00 56.93 55.60 1ykn s PHE 67 Cb -0.13 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.68 1ykn s PHE 67 CO 0.20 -0.36 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.83 1ykn s LEU 68 N 0.56 2.19 -0.04 6.12 1.02 -0.22 -1.20 118.68 127.11 1ykn s LEU 68 Ca -0.10 -0.56 0.07 0.00 0.02 0.00 0.00 54.13 53.56 1ykn s LEU 68 Cb -0.16 -1.31 -0.01 0.00 0.02 0.00 0.00 46.19 44.72 1ykn s LEU 68 CO 0.04 0.27 -0.24 -1.61 0.02 0.00 0.00 176.35 174.82 1ykn s GLU 69 N -1.15 2.22 0.13 1.70 2.02 -0.35 -1.98 118.70 121.29 1ykn s GLU 69 Ca 0.12 -0.88 0.09 0.00 0.02 0.00 0.00 54.97 54.32 1ykn s GLU 69 Cb -0.10 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1ykn s GLU 69 CO 0.02 0.46 -0.21 0.14 0.02 0.00 0.00 175.26 175.68 1ykn s VAL 70 N -0.38 1.86 -0.16 2.63 -7.23 -0.75 -1.39 120.40 114.98 1ykn s VAL 70 Ca 0.03 -1.70 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1ykn s VAL 70 Cb -0.11 -1.73 0.08 0.00 0.56 0.00 0.00 36.38 35.17 1ykn s VAL 70 CO 0.01 -0.11 0.31 0.86 -0.31 0.00 0.00 175.10 175.86 1ykn s TRP 71 N -1.40 -0.53 0.05 2.82 -0.11 -0.24 -1.93 118.94 117.59 1ykn s TRP 71 Ca 0.11 1.07 -0.06 0.00 1.22 0.00 0.00 56.10 58.44 1ykn s TRP 71 Cb -0.09 0.04 -0.01 0.00 -1.50 0.00 0.00 33.47 31.90 1ykn s TRP 71 CO 0.05 -0.42 0.10 1.14 -4.62 0.00 0.00 176.95 173.20 1ykn s GLN 72 N 2.47 0.64 0.55 5.86 -2.07 0.06 -0.92 119.66 126.26 1ykn s GLN 72 Ca 0.01 -0.85 -0.18 0.00 -1.82 0.00 0.00 55.36 52.52 1ykn s GLN 72 Cb -0.12 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 1ykn s GLN 72 CO -0.10 -0.17 1.08 0.00 -1.32 0.00 0.00 175.29 174.78 1ykn s ALA 73 N -3.02 2.73 1.06 2.60 0.00 -1.26 -4.47 121.76 119.40 1ykn s ALA 73 Ca -0.01 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.49 1ykn s ALA 73 Cb 0.01 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.93 1ykn s ALA 73 CO -0.06 -0.71 0.32 -0.40 0.00 0.00 0.00 175.76 174.91 1ykn n ASP 74 N -1.55 -1.08 -0.12 0.00 5.68 0.27 -4.22 116.55 115.53 1ykn n ASP 74 Ca 0.10 -0.77 0.14 0.00 -0.50 0.00 0.00 54.79 53.76 1ykn n ASP 74 Cb 0.52 -0.29 0.51 0.00 -1.14 0.00 0.00 41.12 40.72 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 -2.16 2.09 -0.41 2.12 0.00 -1.77 0.46 119.26 119.58 1ykn h ALA 75 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ykn h ALA 75 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ykn h ALA 75 CO 0.08 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.16 1ykn n ASN 76 N -4.47 2.51 -1.56 0.00 3.02 -1.26 -3.61 115.26 109.89 1ykn n ASN 76 Ca 0.12 -2.08 -0.11 0.00 -0.03 0.00 0.00 54.58 52.48 1ykn n ASN 76 Cb 0.46 -0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 1.05 0.07 3.34 7.41 0.00 0.15 -4.82 105.19 112.39 1ykn n GLY 77 Ca 0.15 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.04 2.02 -0.53 1.61 2.02 -1.25 -4.65 118.70 112.88 1ykn s GLU 78 Ca 0.13 -0.98 -0.26 0.00 0.02 0.00 0.00 54.97 53.88 1ykn s GLU 78 Cb -0.06 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.16 1ykn s GLU 78 CO 0.16 0.55 1.04 0.71 0.02 0.00 0.00 175.26 177.75 1ykn s TYR 79 N -0.70 2.76 -0.77 1.61 1.51 -1.26 0.97 117.35 121.47 1ykn s TYR 79 Ca 0.11 0.29 -0.24 0.00 -1.01 0.00 0.00 57.07 56.23 1ykn s TYR 79 Cb -0.10 -4.24 0.06 0.00 -0.11 0.00 0.00 41.96 37.57 1ykn s TYR 79 CO 0.00 -1.37 1.16 -0.65 -1.11 0.00 0.00 175.55 173.59 1ykn s GLN 80 N 4.30 3.26 0.16 -0.62 -1.52 -1.26 -4.89 119.66 119.08 1ykn s GLN 80 Ca 0.38 -0.77 0.14 0.00 -1.95 0.00 0.00 55.36 53.16 1ykn s GLN 80 Cb -0.10 -4.45 -0.07 0.00 -0.22 0.00 0.00 33.01 28.18 1ykn s GLN 80 CO 0.24 -1.99 1.15 0.38 -0.25 0.00 0.00 175.29 174.83 1ykn h ASP 81 N 9.68 0.00 -1.16 5.90 2.03 -1.97 -3.26 116.42 127.65 1ykn h ASP 81 Ca -0.17 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.78 1ykn h ASP 81 Cb 1.05 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.51 1ykn h ASP 81 CO 1.24 0.64 0.94 0.00 -1.03 0.00 0.00 179.24 181.03 1ykn s ALA 82 N -2.88 1.77 0.34 4.15 0.00 -1.26 -4.93 121.76 118.95 1ykn s ALA 82 Ca 0.01 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.57 1ykn s ALA 82 Cb 0.08 -4.46 -0.10 0.00 0.00 0.00 0.00 23.12 18.64 1ykn s ALA 82 CO 0.79 -4.56 1.36 -0.47 0.00 0.00 0.00 175.76 172.87 1ykn s TYR 83 N 10.13 2.93 -0.30 0.00 5.04 -1.26 -5.00 117.35 128.90 1ykn s TYR 83 Ca 0.72 1.34 -0.15 0.00 -2.44 0.00 0.00 57.07 56.53 1ykn s TYR 83 Cb -0.09 -3.77 0.16 0.00 0.35 0.00 0.00 41.96 38.60 1ykn s TYR 83 CO 0.08 -2.17 0.97 1.21 -1.34 0.00 0.00 175.55 174.31 1ykn s ASN 84 N -0.37 -0.56 0.19 4.32 3.84 -1.26 -5.02 114.94 116.08 1ykn s ASN 84 Ca 0.50 0.82 0.16 0.00 0.21 0.00 0.00 52.86 54.55 1ykn s ASN 84 Cb -0.41 1.48 0.79 0.00 -0.55 0.00 0.00 41.25 42.55 1ykn s ASN 84 CO 0.55 -0.12 1.50 0.18 -2.79 0.00 0.00 177.10 176.42 1ykn n LEU 85 N 4.43 0.39 0.09 3.21 4.77 -1.26 -2.00 117.00 126.62 1ykn n LEU 85 Ca -0.13 0.64 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1ykn n LEU 85 Cb 0.55 -0.65 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1ykn n LEU 85 CO -0.02 -0.66 0.33 -0.33 -1.33 0.00 0.00 177.39 175.39 1ykn h GLU 86 N 0.00 0.15 -6.92 3.23 5.08 -1.99 -3.46 114.58 110.66 1ykn h GLU 86 Ca 0.00 -0.14 -0.56 0.00 -1.00 0.00 0.00 59.36 57.66 1ykn h GLU 86 Cb 0.12 0.04 0.15 0.00 0.50 0.00 0.00 28.75 29.56 1ykn h GLU 86 CO 0.00 0.85 0.38 0.09 -1.00 0.00 0.00 179.01 179.34 1ykn n ASN 87 N -3.70 1.84 0.12 1.42 3.02 -0.85 -4.94 115.26 112.18 1ykn n ASN 87 Ca -0.02 0.92 -0.03 0.00 -0.03 0.00 0.00 54.58 55.42 1ykn n ASN 87 Cb 0.74 -1.49 0.11 0.00 -0.61 0.00 0.00 39.78 38.54 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 1.09 0.85 -3.57 5.41 0.00 -1.89 -3.44 119.26 117.70 1ykn h ALA 88 Ca -0.49 -0.62 -0.29 0.00 0.00 0.00 0.00 54.91 53.51 1ykn h ALA 88 Cb 1.33 -0.11 -0.33 0.00 0.00 0.00 0.00 17.79 18.69 1ykn h ALA 88 CO 0.55 0.85 -0.73 0.12 0.00 0.00 0.00 179.25 180.04 1ykn s PHE 89 N -3.47 0.07 -0.13 0.00 5.36 -1.26 0.02 117.98 118.58 1ykn s PHE 89 Ca -0.01 0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 56.02 1ykn s PHE 89 Cb 0.12 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.57 1ykn s PHE 89 CO 0.78 -0.07 -0.09 -0.80 -1.46 0.00 0.00 175.22 173.57 1ykn s ASN 90 N 0.80 4.36 0.15 6.13 0.01 0.34 -4.98 114.94 121.75 1ykn s ASN 90 Ca -0.07 -0.22 0.20 0.00 -0.71 0.00 0.00 52.86 52.06 1ykn s ASN 90 Cb -0.10 -1.60 0.84 0.00 0.41 0.00 0.00 41.25 40.80 1ykn s ASN 90 CO -0.02 0.19 1.62 -1.20 -1.51 0.00 0.00 177.10 176.18 1ykn n SER 91 N 3.36 0.40 -4.33 -1.22 7.64 -1.23 -4.75 113.62 113.49 1ykn n SER 91 Ca -0.18 0.60 -0.32 0.00 1.01 0.00 0.00 58.87 59.98 1ykn n SER 91 Cb 0.53 -0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.89 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 -3.19 2.58 0.34 1.43 5.36 -1.26 -0.76 117.98 122.48 1ykn s PHE 92 Ca 0.05 -0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 55.37 1ykn s PHE 92 Cb 0.09 -1.66 0.01 0.00 -0.34 0.00 0.00 43.02 41.12 1ykn s PHE 92 CO 0.35 -0.13 0.52 0.20 -1.46 0.00 0.00 175.22 174.70 1ykn s GLY 93 N -0.17 1.19 0.04 13.12 0.00 -0.81 -4.87 107.32 115.82 1ykn s GLY 93 Ca -0.02 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.32 1ykn s GLY 93 CO 0.04 -0.84 0.11 0.50 0.00 0.00 0.00 173.10 172.90 1ykn s ARG 94 N -3.07 0.60 0.15 2.90 0.52 -0.69 -1.82 118.95 117.54 1ykn s ARG 94 Ca 0.27 -0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 54.61 1ykn s ARG 94 Cb -0.01 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.72 1ykn s ARG 94 CO 0.17 -0.15 0.40 -0.08 0.02 0.00 0.00 175.30 175.67 1ykn s THR 95 N -2.56 0.06 0.04 0.02 -1.32 -0.84 -2.27 115.64 108.77 1ykn s THR 95 Ca -0.05 -0.83 -0.01 0.00 -1.21 0.00 0.00 61.69 59.59 1ykn s THR 95 Cb -0.01 -1.43 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 1ykn s THR 95 CO -0.04 -0.27 -0.03 0.00 -2.21 0.00 0.00 174.62 172.07 1ykn s ALA 96 N -3.86 0.32 -0.12 11.08 0.00 -1.26 -1.05 121.76 126.87 1ykn s ALA 96 Ca 0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 1ykn s ALA 96 Cb 0.01 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1ykn s ALA 96 CO -0.07 -0.28 0.13 0.95 0.00 0.00 0.00 175.76 176.50 1ykn s THR 97 N -2.79 5.42 0.00 0.00 -4.23 -0.87 -4.00 115.64 109.17 1ykn s THR 97 Ca -0.04 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1ykn s THR 97 Cb -0.00 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1ykn s THR 97 CO -0.06 0.61 0.00 0.35 -0.54 0.00 0.00 174.62 174.99 1ykn n THR 98 N 2.03 0.00 -0.08 3.99 -2.24 1.51 -3.60 114.28 115.88 1ykn n THR 98 Ca -0.20 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1ykn n THR 98 Cb 0.55 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 1ykn n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykn h PHE 99 N 0.88 0.85 -0.12 4.78 0.04 -1.95 -2.87 116.94 118.55 1ykn h PHE 99 Ca 0.00 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 1ykn h PHE 99 Cb 0.00 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1ykn h PHE 99 CO 0.00 1.03 0.04 -0.44 -0.60 0.00 0.00 178.31 178.34 1ykn h ASP 100 N 0.43 0.16 -3.64 2.17 3.32 -1.97 -3.37 116.42 113.52 1ykn h ASP 100 Ca 0.03 -0.17 -0.64 0.00 0.02 0.00 0.00 57.03 56.27 1ykn h ASP 100 Cb 0.92 -0.04 -0.40 0.00 0.22 0.00 0.00 39.33 40.03 1ykn h ASP 100 CO 0.08 0.29 -0.72 0.00 -1.72 0.00 0.00 179.24 177.17 1ykn s ALA 101 N -5.53 2.69 -1.37 3.45 0.00 -1.21 -5.00 121.76 114.80 1ykn s ALA 101 Ca -0.14 -2.45 0.25 0.00 0.00 0.00 0.00 51.96 49.62 1ykn s ALA 101 Cb 0.06 -1.92 1.22 0.00 0.00 0.00 0.00 23.12 22.47 1ykn s ALA 101 CO 0.69 -1.72 1.82 0.41 0.00 0.00 0.00 175.76 176.96 1ykn n GLY 102 N 4.26 -1.13 3.41 0.00 0.00 -1.09 0.44 105.19 111.07 1ykn n GLY 102 Ca 0.03 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.63 3.20 0.28 1.61 2.12 -1.26 -4.56 118.70 117.46 1ykn s GLU 103 Ca 0.22 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1ykn s GLU 103 Cb 0.16 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 1ykn s GLU 103 CO 0.39 0.31 0.47 1.67 -0.54 0.00 0.00 175.26 177.56 1ykn s TRP 104 N 0.09 3.49 0.00 5.30 1.48 -0.25 -4.74 118.94 124.31 1ykn s TRP 104 Ca -0.05 0.31 -0.03 0.00 -1.06 0.00 0.00 56.10 55.26 1ykn s TRP 104 Cb -0.15 -1.84 -0.01 0.00 -1.16 0.00 0.00 33.47 30.31 1ykn s TRP 104 CO 0.04 0.25 0.05 0.95 -4.06 0.00 0.00 176.95 174.19 1ykn s THR 105 N -2.12 0.07 -0.01 0.66 -4.23 -1.26 -2.70 115.64 106.05 1ykn s THR 105 Ca 0.39 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1ykn s THR 105 Cb -0.10 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.47 1ykn s THR 105 CO 0.32 -0.34 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.84 1ykn s LEU 106 N -1.07 1.63 -0.25 4.79 2.96 -0.75 -4.80 118.68 121.19 1ykn s LEU 106 Ca -0.12 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1ykn s LEU 106 Cb -0.07 -0.13 0.03 0.00 0.50 0.00 0.00 46.19 46.52 1ykn s LEU 106 CO 0.00 -0.03 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.94 1ykn s HIS 107 N 0.42 3.08 0.00 5.38 3.76 0.01 -0.65 115.29 127.29 1ykn s HIS 107 Ca -0.04 -1.57 0.00 0.00 -0.15 0.00 0.00 55.06 53.31 1ykn s HIS 107 Cb -0.06 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1ykn s HIS 107 CO -0.01 -0.73 0.00 -2.37 -0.85 0.00 0.00 174.74 170.78 1ykn n THR 108 N 4.67 0.00 -4.52 1.30 5.66 -1.09 -0.63 114.28 119.67 1ykn n THR 108 Ca -0.16 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.61 1ykn n THR 108 Cb 0.47 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.81 1.40 0.14 1.08 -7.23 -1.26 -0.77 120.40 111.93 1ykn s VAL 109 Ca 0.00 -1.08 -0.34 0.00 -1.81 0.00 0.00 61.98 58.75 1ykn s VAL 109 Cb 0.00 -1.23 -0.14 0.00 0.56 0.00 0.00 36.38 35.57 1ykn s VAL 109 CO 0.00 0.13 1.58 1.17 -0.31 0.00 0.00 175.10 177.67 1ykn n LYS 110 N 1.93 2.07 -2.30 4.82 4.81 -0.82 -4.87 118.16 123.79 1ykn n LYS 110 Ca -0.17 0.75 -0.33 0.00 -0.87 0.00 0.00 58.31 57.68 1ykn n LYS 110 Cb 0.54 -2.51 -0.01 0.00 0.02 0.00 0.00 35.03 33.07 1ykn n LYS 110 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ykn s PRO 111 N 1.11 3.56 0.79 1.64 0.04 -1.26 -4.09 135.00 136.79 1ykn s PRO 111 Ca 0.80 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 1ykn s PRO 111 Cb -0.70 -2.06 0.12 0.00 0.04 0.00 0.00 34.50 31.90 1ykn s PRO 111 CO 0.40 -0.62 1.11 0.20 0.04 0.00 0.00 177.00 178.12 1ykn s GLY 112 N -2.36 1.74 0.03 0.56 0.00 -0.56 -4.73 107.32 102.00 1ykn s GLY 112 Ca 0.66 -1.23 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1ykn s GLY 112 CO 0.28 -0.66 0.95 0.14 0.00 0.00 0.00 173.10 173.81 1ykn s VAL 113 N -3.42 4.75 0.31 1.40 1.01 -1.26 -4.42 120.40 118.76 1ykn s VAL 113 Ca 0.66 2.01 0.10 0.00 0.00 0.00 0.00 61.98 64.76 1ykn s VAL 113 Cb -0.07 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1ykn s VAL 113 CO 0.47 0.23 -0.07 0.68 0.00 0.00 0.00 175.10 176.40 1ykn s VAL 114 N 0.62 2.66 0.44 2.92 -7.23 -1.26 -4.63 120.40 113.91 1ykn s VAL 114 Ca 0.49 -2.14 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1ykn s VAL 114 Cb -0.22 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.10 1ykn s VAL 114 CO 0.28 -0.29 0.62 0.20 -0.31 0.00 0.00 175.10 175.60 1ykn s ASN 115 N -3.63 5.66 0.81 4.85 0.01 -1.26 -1.33 114.94 120.06 1ykn s ASN 115 Ca 0.32 -0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 52.29 1ykn s ASN 115 Cb -0.02 -1.01 0.11 0.00 0.41 0.00 0.00 41.25 40.74 1ykn s ASN 115 CO 0.18 -0.77 0.72 -0.46 -1.51 0.00 0.00 177.10 175.25 1ykn n ASN 116 N -1.97 0.42 0.25 -1.22 6.94 0.15 -4.84 115.26 114.98 1ykn n ASN 116 Ca 0.05 -1.48 0.10 0.00 -0.02 0.00 0.00 54.58 53.23 1ykn n ASN 116 Cb 0.59 -0.52 0.67 0.00 -2.36 0.00 0.00 39.78 38.16 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 -1.26 1.44 -0.34 -2.53 0.00 -2.00 -0.67 119.26 113.90 1ykn h ALA 117 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ykn h ALA 117 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ykn h ALA 117 CO 0.20 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1ykn n ALA 118 N -2.36 2.46 -0.79 0.00 0.00 -1.26 -4.92 120.51 113.65 1ykn n ALA 118 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1ykn n ALA 118 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.17 0.62 3.74 0.00 0.00 -0.26 -5.03 105.19 105.43 1ykn n GLY 119 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 5.13 0.20 1.61 1.01 -1.26 -4.77 120.40 120.25 1ykn s VAL 120 Ca 0.00 0.98 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1ykn s VAL 120 Cb 0.00 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1ykn s VAL 120 CO 0.00 0.37 1.33 -2.16 0.00 0.00 0.00 175.10 174.64 1ykn s PRO 121 N 0.28 4.37 0.22 2.72 0.04 -1.26 0.31 135.00 141.68 1ykn s PRO 121 Ca 0.26 2.08 0.02 0.00 0.04 0.00 0.00 61.00 63.40 1ykn s PRO 121 Cb -0.16 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1ykn s PRO 121 CO 0.12 -0.28 0.39 -1.64 0.04 0.00 0.00 177.00 175.63 1ykn s MET 122 N -0.11 3.48 0.61 4.56 -1.94 -0.44 -4.38 119.30 121.08 1ykn s MET 122 Ca 0.57 -0.51 -0.16 0.00 -1.71 0.00 0.00 55.69 53.88 1ykn s MET 122 Cb -0.37 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.60 1ykn s MET 122 CO 0.39 0.39 1.10 0.00 -0.01 0.00 0.00 175.02 176.89 1ykn s ALA 123 N -1.94 2.58 -0.01 3.03 0.00 -1.26 -4.19 121.76 119.97 1ykn s ALA 123 Ca 0.37 0.59 -0.37 0.00 0.00 0.00 0.00 51.96 52.54 1ykn s ALA 123 Cb -0.10 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 1ykn s ALA 123 CO 0.30 -1.04 1.51 -2.30 0.00 0.00 0.00 175.76 174.23 1ykn n PRO 124 N -2.04 1.35 -4.04 0.00 -0.02 -1.26 -4.86 135.00 124.13 1ykn n PRO 124 Ca 0.10 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1ykn n PRO 124 Cb 0.52 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 1ykn n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykn s HIS 125 N 1.55 0.59 -0.09 6.00 -3.43 -1.26 -4.41 115.29 114.24 1ykn s HIS 125 Ca 0.88 -0.95 0.04 0.00 -0.80 0.00 0.00 55.06 54.23 1ykn s HIS 125 Cb -0.93 -0.22 -0.01 0.00 -1.43 0.00 0.00 32.58 29.99 1ykn s HIS 125 CO 0.51 -0.65 -0.23 0.42 -2.00 0.00 0.00 174.74 172.79 1ykn s ILE 126 N -4.00 2.22 -0.17 -5.38 1.01 0.08 -4.61 121.20 110.34 1ykn s ILE 126 Ca 0.20 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.64 1ykn s ILE 126 Cb 0.05 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1ykn s ILE 126 CO 0.01 0.56 0.77 0.20 0.00 0.00 0.00 174.94 176.48 1ykn s ASN 127 N 0.18 6.89 -0.08 3.58 0.01 -0.10 -1.22 114.94 124.20 1ykn s ASN 127 Ca -0.13 1.09 0.03 0.00 -0.71 0.00 0.00 52.86 53.13 1ykn s ASN 127 Cb -0.16 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1ykn s ASN 127 CO 0.07 -0.34 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.54 1ykn s ILE 128 N 1.96 2.97 -0.16 0.60 1.01 -0.57 -1.08 121.20 125.93 1ykn s ILE 128 Ca 0.36 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1ykn s ILE 128 Cb -0.16 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1ykn s ILE 128 CO 0.12 0.57 -0.17 -0.44 0.00 0.00 0.00 174.94 175.02 1ykn s SER 129 N -0.30 3.51 -0.15 3.58 0.01 -0.49 -1.26 113.70 118.60 1ykn s SER 129 Ca 0.02 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1ykn s SER 129 Cb -0.13 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.55 1ykn s SER 129 CO 0.03 0.07 -0.10 -0.22 0.41 0.00 0.00 173.24 173.42 1ykn s LEU 130 N 0.91 2.83 0.09 2.44 2.96 0.06 -1.21 118.68 126.76 1ykn s LEU 130 Ca -0.04 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 1ykn s LEU 130 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1ykn s LEU 130 CO -0.02 0.13 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.55 1ykn s PHE 131 N 0.57 1.93 -0.01 5.38 0.40 -0.34 -1.57 117.98 124.33 1ykn s PHE 131 Ca -0.06 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1ykn s PHE 131 Cb -0.15 -1.08 0.11 0.00 0.51 0.00 0.00 43.02 42.40 1ykn s PHE 131 CO 0.03 0.19 1.28 0.00 0.70 0.00 0.00 175.22 177.43 1ykn s ALA 132 N -1.02 -2.36 0.16 5.36 0.00 -1.26 -0.51 121.76 122.13 1ykn s ALA 132 Ca 0.08 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 1ykn s ALA 132 Cb -0.10 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.61 1ykn s ALA 132 CO 0.04 -1.11 1.46 -0.98 0.00 0.00 0.00 175.76 175.16 1ykn s ARG 133 N -2.17 4.28 0.00 0.00 1.70 -1.25 -1.56 118.95 119.94 1ykn s ARG 133 Ca 0.23 2.21 0.00 0.00 -0.47 0.00 0.00 55.73 57.70 1ykn s ARG 133 Cb 0.02 -3.19 0.00 0.00 -0.57 0.00 0.00 34.95 31.21 1ykn s ARG 133 CO -0.02 -0.48 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 1ykn n GLY 134 N 3.30 1.23 3.30 3.88 0.00 -1.26 -4.95 105.19 110.69 1ykn n GLY 134 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.31 4.23 0.19 -0.61 1.01 -0.60 -4.99 121.20 118.12 1ykn s ILE 135 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 1ykn s ILE 135 Cb 0.00 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1ykn s ILE 135 CO 0.00 -0.36 1.50 0.78 0.00 0.00 0.00 174.94 176.86 1ykn h ASN 136 N 8.37 0.65 -3.93 3.58 2.35 -1.91 -3.36 115.58 121.34 1ykn h ASN 136 Ca -0.24 -0.35 -0.37 0.00 -0.55 0.00 0.00 56.30 54.79 1ykn h ASN 136 Cb 1.09 -0.19 -0.29 0.00 0.05 0.00 0.00 38.32 38.98 1ykn h ASN 136 CO 0.70 1.07 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.26 1ykn s ILE 137 N -4.02 0.60 0.82 2.81 2.07 -1.26 -3.11 121.20 119.11 1ykn s ILE 137 Ca -0.08 -0.31 -0.13 0.00 -1.41 0.00 0.00 60.65 58.73 1ykn s ILE 137 Cb 0.11 -0.52 0.09 0.00 0.13 0.00 0.00 42.46 42.27 1ykn s ILE 137 CO 0.85 0.18 1.19 -1.38 -1.91 0.00 0.00 174.94 173.87 1ykn s HIS 138 N -0.07 1.81 -0.21 3.50 -3.43 -1.26 -5.00 115.29 110.63 1ykn s HIS 138 Ca 0.01 1.68 -0.10 0.00 -0.80 0.00 0.00 55.06 55.86 1ykn s HIS 138 Cb -0.04 -3.45 -0.05 0.00 -1.43 0.00 0.00 32.58 27.61 1ykn s HIS 138 CO -0.00 -2.80 0.13 -0.51 -2.00 0.00 0.00 174.74 169.55 1ykn s LEU 139 N -5.80 4.11 -0.14 5.38 1.43 -0.61 -4.88 118.68 118.17 1ykn s LEU 139 Ca 0.72 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 1ykn s LEU 139 Cb -0.27 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1ykn s LEU 139 CO 0.51 0.14 0.16 -1.00 0.23 0.00 0.00 176.35 176.40 1ykn s HIS 140 N 0.59 3.53 0.27 0.29 3.76 -1.26 -0.76 115.29 121.71 1ykn s HIS 140 Ca 0.07 0.49 -0.10 0.00 -0.15 0.00 0.00 55.06 55.37 1ykn s HIS 140 Cb -0.12 -2.06 -0.00 0.00 1.11 0.00 0.00 32.58 31.51 1ykn s HIS 140 CO 0.00 0.55 0.48 -0.08 -0.85 0.00 0.00 174.74 174.84 1ykn s THR 141 N -0.46 0.00 0.08 1.30 -1.32 -0.38 -1.08 115.64 113.78 1ykn s THR 141 Ca 0.13 -1.46 0.08 0.00 -1.21 0.00 0.00 61.69 59.23 1ykn s THR 141 Cb -0.12 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1ykn s THR 141 CO 0.02 0.00 -0.20 -0.13 -2.21 0.00 0.00 174.62 172.11 1ykn s ARG 142 N -3.70 1.14 -0.25 7.08 0.52 -1.26 -1.51 118.95 120.97 1ykn s ARG 142 Ca 0.25 -1.07 -0.04 0.00 -0.52 0.00 0.00 55.73 54.35 1ykn s ARG 142 Cb -0.00 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 34.14 1ykn s ARG 142 CO 0.12 0.32 -0.02 -1.17 0.02 0.00 0.00 175.30 174.57 1ykn s LEU 143 N -1.69 3.20 0.41 2.53 0.20 -0.36 -4.75 118.68 118.24 1ykn s LEU 143 Ca 0.06 -0.58 0.08 0.00 0.69 0.00 0.00 54.13 54.37 1ykn s LEU 143 Cb -0.10 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 1ykn s LEU 143 CO 0.03 -0.09 0.29 -0.31 -0.29 0.00 0.00 176.35 175.99 1ykn s TYR 144 N 1.45 2.67 -0.08 5.38 1.51 -0.32 -0.75 117.35 127.21 1ykn s TYR 144 Ca 0.04 -0.53 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1ykn s TYR 144 Cb -0.16 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1ykn s TYR 144 CO -0.02 0.01 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.31 1ykn s PHE 145 N -2.52 2.97 0.35 2.71 0.40 -1.26 0.98 117.98 121.60 1ykn s PHE 145 Ca 0.45 -0.02 0.36 0.00 -0.60 0.00 0.00 56.93 57.12 1ykn s PHE 145 Cb -0.00 -1.75 1.72 0.00 0.51 0.00 0.00 43.02 43.49 1ykn s PHE 145 CO 0.26 0.29 2.13 0.38 0.70 0.00 0.00 175.22 178.97 1ykn h ASP 146 N 5.46 0.00 -0.24 1.36 3.04 -1.26 -1.92 116.42 122.85 1ykn h ASP 146 Ca -0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1ykn h ASP 146 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1ykn h ASP 146 CO 0.54 0.03 0.00 -0.90 -2.04 0.00 0.00 179.24 176.87 1ykn n ASP 147 N -3.21 1.93 -2.12 4.15 5.68 -1.26 -3.72 116.55 118.00 1ykn n ASP 147 Ca -0.01 -1.81 -0.28 0.00 -0.50 0.00 0.00 54.79 52.20 1ykn n ASP 147 Cb 0.22 -0.16 0.04 0.00 -1.14 0.00 0.00 41.12 40.08 1ykn n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ykn n GLU 148 N 0.50 3.32 -0.20 0.11 -0.58 -0.72 -4.87 120.64 118.21 1ykn n GLU 148 Ca 0.16 -3.88 0.24 0.00 -0.42 0.00 0.00 57.16 53.25 1ykn n GLU 148 Cb 0.35 -2.28 0.62 0.00 -0.57 0.00 0.00 31.44 29.56 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 2.12 2.52 0.16 0.62 0.00 -1.76 0.10 119.26 123.02 1ykn h ALA 149 Ca 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1ykn h ALA 149 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ykn h ALA 149 CO 1.03 -0.78 -0.08 1.96 0.00 0.00 0.00 179.25 181.38 1ykn h GLN 150 N 0.19 -0.21 -0.94 0.00 4.20 -1.94 -0.35 115.11 116.07 1ykn h GLN 150 Ca 0.44 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.31 1ykn h GLN 150 Cb 1.41 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 29.16 1ykn h GLN 150 CO -0.09 0.21 0.60 0.00 -0.67 0.00 0.00 178.83 178.88 1ykn h ALA 151 N -0.32 1.75 -0.66 3.87 0.00 -1.86 -2.78 119.26 119.25 1ykn h ALA 151 Ca -0.02 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ykn h ALA 151 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ykn h ALA 151 CO 0.04 -0.01 0.13 -0.91 0.00 0.00 0.00 179.25 178.50 1ykn h ASN 152 N 0.77 1.01 0.20 0.00 2.35 -0.70 0.14 115.58 119.35 1ykn h ASN 152 Ca 0.48 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1ykn h ASN 152 Cb 0.70 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1ykn h ASN 152 CO -0.24 0.99 -0.12 0.00 -1.65 0.00 0.00 177.43 176.42 1ykn h ALA 153 N 1.13 1.53 0.00 -0.83 0.00 -0.77 -3.14 119.26 117.18 1ykn h ALA 153 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ykn h ALA 153 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ykn h ALA 153 CO 0.01 0.14 -1.40 1.63 0.00 0.00 0.00 179.25 179.63 1ykn n LYS 154 N -4.00 0.55 -1.68 0.00 4.76 -0.40 -4.92 118.16 112.47 1ykn n LYS 154 Ca -0.02 -0.09 -0.56 0.00 -2.87 0.00 0.00 58.31 54.77 1ykn n LYS 154 Cb 0.20 -1.45 -0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1ykn n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykn n PRO 156 N 4.77 0.21 -0.07 0.00 -0.04 -1.26 -1.79 135.00 136.81 1ykn n PRO 156 Ca 0.25 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 1ykn n PRO 156 Cb 0.15 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 1ykn n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykn n VAL 157 N -1.30 1.63 0.26 0.52 0.31 -1.26 -3.41 118.33 115.08 1ykn n VAL 157 Ca 0.07 -0.46 0.10 0.00 -0.01 0.00 0.00 64.34 64.05 1ykn n VAL 157 Cb 0.13 -1.76 0.72 0.00 -0.91 0.00 0.00 33.84 32.02 1ykn n VAL 157 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ykn h LEU 158 N -0.34 0.00 -0.16 7.52 5.85 -1.86 -1.87 115.31 124.45 1ykn h LEU 158 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1ykn h LEU 158 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.81 1ykn h LEU 158 CO -0.09 0.06 0.00 0.59 -0.34 0.00 0.00 178.44 178.66 1ykn n ASN 159 N -4.12 0.63 0.25 1.25 3.02 -0.74 -2.57 115.26 112.97 1ykn n ASN 159 Ca -0.03 0.58 0.16 0.00 -0.03 0.00 0.00 54.58 55.26 1ykn n ASN 159 Cb 0.14 -0.74 0.56 0.00 -0.61 0.00 0.00 39.78 39.13 1ykn n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ykn h LEU 160 N 0.00 0.00 -8.99 3.41 3.38 -1.35 -3.41 115.31 108.34 1ykn h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ykn h LEU 160 Cb 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1ykn h LEU 160 CO 0.00 0.00 0.90 -0.63 0.09 0.00 0.00 178.44 178.80 1ykn s ILE 161 N -3.53 4.34 0.19 1.22 1.01 -1.06 -4.96 121.20 118.41 1ykn s ILE 161 Ca 0.03 1.55 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 1ykn s ILE 161 Cb 0.08 -4.24 0.14 0.00 0.01 0.00 0.00 42.46 38.46 1ykn s ILE 161 CO 0.56 -0.40 1.68 -0.33 0.00 0.00 0.00 174.94 176.45 1ykn h GLU 162 N 8.53 0.11 -4.82 2.79 5.08 -1.90 -3.41 114.58 120.97 1ykn h GLU 162 Ca -0.24 -0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.44 1ykn h GLU 162 Cb 1.08 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.12 1ykn h GLU 162 CO 1.02 0.07 -0.33 -0.65 -1.00 0.00 0.00 179.01 178.12 1ykn s GLN 163 N -6.17 3.37 0.44 2.33 -1.52 -1.26 -4.99 119.66 111.87 1ykn s GLN 163 Ca -0.13 -0.62 0.27 0.00 -1.95 0.00 0.00 55.36 52.93 1ykn s GLN 163 Cb 0.17 -3.86 1.33 0.00 -0.22 0.00 0.00 33.01 30.42 1ykn s GLN 163 CO 0.73 -0.61 1.70 -1.35 -0.25 0.00 0.00 175.29 175.51 1ykn h PRO 164 N 8.55 0.19 -0.90 2.91 0.10 -1.98 -1.37 132.00 139.49 1ykn h PRO 164 Ca -0.29 -0.01 0.09 0.00 0.10 0.00 0.00 66.00 65.89 1ykn h PRO 164 Cb 1.14 -0.04 -0.07 0.00 0.10 0.00 0.00 31.00 32.12 1ykn h PRO 164 CO 0.71 0.13 0.54 1.96 0.10 0.00 0.00 178.00 181.44 1ykn h GLN 165 N 0.19 0.89 0.00 1.05 7.50 -1.97 -1.63 115.11 121.15 1ykn h GLN 165 Ca 0.70 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.78 1ykn h GLN 165 Cb 2.15 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 29.48 1ykn h GLN 165 CO -0.30 0.59 -0.07 0.00 -1.50 0.00 0.00 178.83 177.55 1ykn h ARG 166 N 0.91 0.00 -0.02 1.46 3.08 -1.64 -2.83 114.38 115.34 1ykn h ARG 166 Ca 0.43 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.34 1ykn h ARG 166 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1ykn h ARG 166 CO -0.24 0.07 -0.65 0.00 -1.07 0.00 0.00 179.97 178.09 1ykn h ARG 167 N 0.00 0.08 0.00 0.04 3.08 -1.32 -1.59 114.38 114.66 1ykn h ARG 167 Ca -0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ykn h ARG 167 Cb 0.71 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 1ykn h ARG 167 CO 0.01 0.70 -0.02 0.93 -1.07 0.00 0.00 179.97 180.52 1ykn h GLU 168 N 0.06 0.00 0.00 0.04 5.08 -1.20 -1.32 114.58 117.24 1ykn h GLU 168 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ykn h GLU 168 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ykn h GLU 168 CO 0.09 0.02 0.00 1.79 -1.00 0.00 0.00 179.01 179.91 1ykn h THR 169 N 0.00 0.00 -0.27 1.13 1.35 -1.40 -2.42 112.91 111.29 1ykn h THR 169 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1ykn h THR 169 Cb 0.04 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 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 -2.61 2.58 -4.49 3.87 4.77 -0.50 -4.84 117.00 115.78 1ykn n LEU 170 Ca -0.00 -1.09 -0.41 0.00 -0.03 0.00 0.00 56.01 54.48 1ykn n LEU 170 Cb 0.15 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 1ykn n LEU 170 CO 0.18 0.55 -0.13 -0.63 -1.33 0.00 0.00 177.39 176.03 1ykn s ILE 171 N -1.65 5.13 0.23 -0.08 1.01 -0.91 -1.18 121.20 123.75 1ykn s ILE 171 Ca 0.35 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1ykn s ILE 171 Cb 0.20 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 1ykn s ILE 171 CO 0.29 -0.08 1.14 0.00 0.00 0.00 0.00 174.94 176.28 1ykn s ALA 172 N 1.69 3.41 -0.37 9.38 0.00 0.27 -4.83 121.76 131.32 1ykn s ALA 172 Ca 0.05 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 1ykn s ALA 172 Cb -0.18 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ykn s ALA 172 CO 0.10 -0.25 0.48 0.15 0.00 0.00 0.00 175.76 176.23 1ykn s LYS 173 N -0.84 3.48 0.27 0.00 1.02 -0.79 -0.75 119.74 122.13 1ykn s LYS 173 Ca 0.48 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 1ykn s LYS 173 Cb -0.32 -3.85 -0.10 0.00 -0.52 0.00 0.00 37.83 33.04 1ykn s LYS 173 CO 0.39 -0.69 1.43 0.50 -0.92 0.00 0.00 175.35 176.06 1ykn s ARG 174 N 2.30 4.26 0.06 1.68 3.52 -1.26 -1.19 118.95 128.32 1ykn s ARG 174 Ca 0.16 2.32 -0.01 0.00 -0.13 0.00 0.00 55.73 58.07 1ykn s ARG 174 Cb -0.16 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1ykn s ARG 174 CO 0.13 -0.41 0.11 0.00 -0.81 0.00 0.00 175.30 174.32 1ykn s GLU 176 N -2.07 0.68 -0.34 0.00 2.02 -1.26 -2.05 118.70 115.68 1ykn s GLU 176 Ca 0.04 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.99 1ykn s GLU 176 Cb -0.00 -0.74 0.10 0.00 0.10 0.00 0.00 34.13 33.59 1ykn s GLU 176 CO 0.03 -0.10 0.09 0.08 0.02 0.00 0.00 175.26 175.38 1ykn s VAL 177 N 0.94 1.66 -0.88 2.63 1.01 -0.64 -4.91 120.40 120.22 1ykn s VAL 177 Ca -0.11 -2.01 -0.04 0.00 0.00 0.00 0.00 61.98 59.82 1ykn s VAL 177 Cb -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ykn s VAL 177 CO -0.00 -0.66 0.76 0.47 0.00 0.00 0.00 175.10 175.66 1ykn n ASP 178 N 4.41 -6.88 0.00 3.32 8.00 -1.26 -3.26 116.55 120.88 1ykn n ASP 178 Ca 0.02 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1ykn n ASP 178 Cb 0.41 -4.64 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 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 -1.61 0.87 3.61 0.44 0.00 -1.26 -4.93 105.19 102.31 1ykn n GLY 179 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 4.02 0.07 1.61 2.47 -1.20 -5.08 119.74 121.62 1ykn s LYS 180 Ca 0.00 0.33 -0.34 0.00 -1.56 0.00 0.00 55.97 54.40 1ykn s LYS 180 Cb 0.00 -3.68 -0.13 0.00 -1.46 0.00 0.00 37.83 32.56 1ykn s LYS 180 CO 0.00 -0.42 1.70 2.41 0.16 0.00 0.00 175.35 179.20 1ykn n THR 181 N 5.23 0.23 -4.07 3.43 -1.04 -1.26 -1.63 114.28 115.17 1ykn n THR 181 Ca -0.03 -0.04 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 1ykn n THR 181 Cb 0.49 -1.68 -0.11 0.00 -1.82 0.00 0.00 70.33 67.22 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 2.17 0.52 0.02 2.41 0.00 -0.87 -0.99 121.76 125.02 1ykn s ALA 182 Ca 0.84 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1ykn s ALA 182 Cb -0.68 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1ykn s ALA 182 CO 0.43 -0.17 -0.19 0.71 0.00 0.00 0.00 175.76 176.54 1ykn s TYR 183 N -2.34 1.72 -0.10 0.00 1.51 -0.11 -1.54 117.35 116.50 1ykn s TYR 183 Ca -0.04 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1ykn s TYR 183 Cb -0.03 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 1ykn s TYR 183 CO -0.03 0.04 -0.05 0.50 -1.11 0.00 0.00 175.55 174.90 1ykn s ARG 184 N -0.91 3.09 -0.30 -0.62 3.52 -0.33 -1.45 118.95 121.94 1ykn s ARG 184 Ca 0.07 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1ykn s ARG 184 Cb -0.08 -2.72 0.11 0.00 -1.56 0.00 0.00 34.95 30.70 1ykn s ARG 184 CO 0.01 0.52 0.14 0.12 -0.81 0.00 0.00 175.30 175.28 1ykn s PHE 185 N -0.41 0.35 0.20 5.12 5.36 0.98 -1.89 117.98 127.69 1ykn s PHE 185 Ca 0.06 -0.96 -0.27 0.00 -0.96 0.00 0.00 56.93 54.81 1ykn s PHE 185 Cb -0.12 -0.89 -0.08 0.00 -0.34 0.00 0.00 43.02 41.58 1ykn s PHE 185 CO 0.02 -0.83 0.84 -0.51 -1.46 0.00 0.00 175.22 173.28 1ykn s ASP 186 N 1.97 7.46 -0.10 6.13 1.01 -1.26 -3.94 116.67 127.94 1ykn s ASP 186 Ca 0.10 1.75 0.01 0.00 0.71 0.00 0.00 52.55 55.12 1ykn s ASP 186 Cb -0.17 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 1ykn s ASP 186 CO -0.32 0.17 -0.15 -0.63 0.21 0.00 0.00 175.17 174.45 1ykn s ILE 187 N -1.21 2.95 -0.23 0.77 1.01 -0.54 -4.97 121.20 118.98 1ykn s ILE 187 Ca 0.39 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 1ykn s ILE 187 Cb -0.23 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.06 1ykn s ILE 187 CO 0.28 0.55 -0.10 -0.13 0.00 0.00 0.00 174.94 175.54 1ykn s ARG 188 N 0.04 2.87 0.18 2.79 0.52 -1.26 -1.46 118.95 122.63 1ykn s ARG 188 Ca -0.05 -0.95 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 1ykn s ARG 188 Cb -0.15 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.46 1ykn s ARG 188 CO 0.04 -0.35 1.41 0.82 0.02 0.00 0.00 175.30 177.25 1ykn h ILE 189 N 6.11 1.58 -3.18 1.52 2.04 -1.64 0.40 117.51 124.35 1ykn h ILE 189 Ca -0.35 -2.89 -0.13 0.00 1.00 0.00 0.00 64.86 62.49 1ykn h ILE 189 Cb 1.11 2.57 -0.21 0.00 -0.74 0.00 0.00 36.82 39.55 1ykn h ILE 189 CO 0.58 0.82 -0.35 -1.58 0.00 0.00 0.00 178.15 177.62 1ykn s GLN 190 N -3.06 0.58 0.42 2.37 0.74 -1.26 -4.75 119.66 114.70 1ykn s GLN 190 Ca 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1ykn s GLN 190 Cb 0.11 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.47 1ykn s GLN 190 CO 0.79 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 1ykn n GLY 191 N 1.48 0.28 3.69 2.59 0.00 -1.26 -4.34 105.19 107.63 1ykn n GLY 191 Ca -0.21 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1ykn n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykn s GLU 192 N 0.00 4.35 -0.34 1.61 2.12 -1.26 -2.48 118.70 122.69 1ykn s GLU 192 Ca 0.00 1.79 0.00 0.00 0.36 0.00 0.00 54.97 57.12 1ykn s GLU 192 Cb 0.00 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1ykn s GLU 192 CO 0.00 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.69 1ykn n GLY 193 N 3.42 0.61 3.66 -1.50 0.00 -1.26 -4.95 105.19 105.16 1ykn n GLY 193 Ca 0.11 -0.92 -0.46 0.00 0.00 0.00 0.00 46.02 44.75 1ykn n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykn n GLU 194 N -2.82 1.96 -2.31 1.61 2.13 -1.04 -4.61 120.64 115.56 1ykn n GLU 194 Ca -0.03 0.70 -0.39 0.00 0.66 0.00 0.00 57.16 58.10 1ykn n GLU 194 Cb 0.13 -2.37 -0.03 0.00 0.27 0.00 0.00 31.44 29.44 1ykn n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykn s THR 195 N 0.21 3.17 0.19 6.31 2.01 0.13 -4.94 115.64 122.73 1ykn s THR 195 Ca 0.72 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 1ykn s THR 195 Cb -0.69 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 1ykn s THR 195 CO 0.47 0.15 1.31 -0.69 -0.69 0.00 0.00 174.62 175.16 1ykn s VAL 196 N -1.33 3.25 0.12 3.82 1.01 -1.26 -4.94 120.40 121.06 1ykn s VAL 196 Ca 0.53 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.63 1ykn s VAL 196 Cb -0.32 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1ykn s VAL 196 CO 0.41 0.15 -0.23 -0.36 0.00 0.00 0.00 175.10 175.07 1ykn s PHE 197 N 0.17 2.41 0.42 5.22 0.08 -1.26 -4.66 117.98 120.37 1ykn s PHE 197 Ca 0.57 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 57.37 1ykn s PHE 197 Cb -0.36 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1ykn s PHE 197 CO 0.38 0.35 0.29 -0.06 -0.10 0.00 0.00 175.22 176.08 1ykn s PHE 198 N -1.08 2.59 -0.01 0.36 0.08 -0.24 -5.00 117.98 114.67 1ykn s PHE 198 Ca 0.16 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.65 1ykn s PHE 198 Cb -0.10 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1ykn s PHE 198 CO 0.08 -0.01 -0.01 0.34 -0.10 0.00 0.00 175.22 175.52 1ykn s ASP 199 N -4.04 0.26 0.00 1.36 3.68 -1.26 -4.35 116.67 112.32 1ykn s ASP 199 Ca 0.44 -0.02 0.00 0.00 2.13 0.00 0.00 52.55 55.10 1ykn s ASP 199 Cb 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 42.92 41.38 1ykn s ASP 199 CO 0.25 -0.03 0.00 2.22 0.13 0.00 0.00 175.17 177.74