#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slx n ALA 11 N 0.00 1.82 0.31 -1.39 0.00 -1.26 -4.91 120.51 115.08 1slx n ALA 11 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1slx n ALA 11 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1slx n ALA 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1slx h PRO 12 N 0.00 0.00 -6.69 0.00 0.11 -2.06 -3.45 132.00 119.90 1slx h PRO 12 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1slx h PRO 12 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.17 1slx h PRO 12 CO 0.00 0.00 0.94 0.71 -0.21 0.00 0.00 178.00 179.44 1slx s TYR 13 N -3.20 2.90 0.25 0.65 2.02 -1.26 -4.95 117.35 113.76 1slx s TYR 13 Ca 0.07 0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 57.02 1slx s TYR 13 Cb 0.07 -4.06 -0.10 0.00 -0.40 0.00 0.00 41.96 37.47 1slx s TYR 13 CO 0.67 -3.85 1.44 -1.25 -1.57 0.00 0.00 175.55 170.99 1slx s PRO 14 N 0.63 4.27 0.55 -1.71 0.04 -1.26 -4.97 135.00 132.55 1slx s PRO 14 Ca 0.70 2.29 -0.20 0.00 0.04 0.00 0.00 61.00 63.83 1slx s PRO 14 Cb -0.48 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 1slx s PRO 14 CO 0.37 -0.42 1.21 -0.65 0.04 0.00 0.00 177.00 177.55 1slx s GLN 15 N -0.35 3.21 0.09 4.56 -0.21 -1.26 -4.92 119.66 120.77 1slx s GLN 15 Ca 0.59 1.84 -0.36 0.00 0.02 0.00 0.00 55.36 57.46 1slx s GLN 15 Cb -0.42 -2.08 -0.15 0.00 1.00 0.00 0.00 33.01 31.36 1slx s GLN 15 CO 0.43 -1.02 1.48 0.00 -2.12 0.00 0.00 175.29 174.06 1slx n ALA 16 N -1.25 0.09 -1.55 6.09 0.00 -1.26 -4.96 120.51 117.67 1slx n ALA 16 Ca 0.12 0.47 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 1slx n ALA 16 Cb 0.49 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 17.77 1slx n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1slx s GLU 17 N 0.99 2.87 0.07 0.00 2.12 -1.26 -4.85 118.70 118.64 1slx s GLU 17 Ca 0.83 1.42 -0.36 0.00 0.36 0.00 0.00 54.97 57.22 1slx s GLU 17 Cb -0.84 -1.96 -0.16 0.00 0.26 0.00 0.00 34.13 31.43 1slx s GLU 17 CO 0.44 -1.20 1.42 0.36 -0.54 0.00 0.00 175.26 175.75 1slx n LYS 18 N -2.27 1.32 -0.02 4.30 2.85 -1.26 -0.75 118.16 122.34 1slx n LYS 18 Ca 0.11 0.48 0.00 0.00 -1.05 0.00 0.00 58.31 57.84 1slx n LYS 18 Cb 0.52 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.75 1slx n LYS 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1slx n GLY 19 N 2.83 0.34 3.45 2.58 0.00 -1.26 -5.05 105.19 108.08 1slx n GLY 19 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1slx n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1slx s MET 20 N -0.91 1.76 0.07 1.61 -1.94 0.07 -1.17 119.30 118.79 1slx s MET 20 Ca 0.00 -2.03 -0.09 0.00 -1.71 0.00 0.00 55.69 51.86 1slx s MET 20 Cb 0.00 -0.54 -0.00 0.00 2.01 0.00 0.00 34.83 36.30 1slx s MET 20 CO 0.00 -0.39 0.19 -1.59 -0.01 0.00 0.00 175.02 173.21 1slx s LYS 21 N -3.80 0.77 -0.12 2.03 -2.85 -0.56 -4.59 119.74 110.62 1slx s LYS 21 Ca 0.30 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 54.33 1slx s LYS 21 Cb 0.05 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1slx s LYS 21 CO 0.15 -0.23 0.26 0.50 0.10 0.00 0.00 175.35 176.13 1slx s ARG 22 N -3.30 3.96 -0.25 1.78 3.52 -1.26 -2.72 118.95 120.68 1slx s ARG 22 Ca 0.01 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.69 1slx s ARG 22 Cb 0.02 -3.32 0.06 0.00 -1.56 0.00 0.00 34.95 30.15 1slx s ARG 22 CO -0.08 0.48 -0.10 -0.65 -0.81 0.00 0.00 175.30 174.15 1slx s GLN 23 N -0.27 2.09 -0.23 5.12 -0.21 0.48 -4.98 119.66 121.67 1slx s GLN 23 Ca 0.17 -1.23 -0.11 0.00 0.02 0.00 0.00 55.36 54.21 1slx s GLN 23 Cb -0.13 -2.79 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 1slx s GLN 23 CO 0.05 -0.56 0.19 0.08 -2.12 0.00 0.00 175.29 172.92 1slx s VAL 24 N 1.19 5.35 -0.16 1.09 1.01 -1.26 -1.08 120.40 126.54 1slx s VAL 24 Ca -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1slx s VAL 24 Cb -0.19 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1slx s VAL 24 CO -0.06 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.63 1slx s ILE 25 N 0.96 2.86 -0.05 2.22 1.09 0.49 -4.98 121.20 123.80 1slx s ILE 25 Ca 0.09 -0.70 0.07 0.00 -1.10 0.00 0.00 60.65 59.01 1slx s ILE 25 Cb -0.13 -2.22 -0.01 0.00 -1.06 0.00 0.00 42.46 39.03 1slx s ILE 25 CO 0.04 0.50 -0.25 -1.10 -0.10 0.00 0.00 174.94 174.03 1slx s GLN 26 N 0.82 2.41 0.07 2.79 -0.21 -1.26 -0.53 119.66 123.74 1slx s GLN 26 Ca -0.04 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.46 1slx s GLN 26 Cb -0.15 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1slx s GLN 26 CO 0.00 0.44 0.06 -0.51 -2.12 0.00 0.00 175.29 173.17 1slx s LEU 27 N -0.32 3.74 0.08 2.90 1.43 -1.26 -5.06 118.68 120.19 1slx s LEU 27 Ca 0.01 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.82 1slx s LEU 27 Cb -0.12 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 1slx s LEU 27 CO 0.02 0.19 0.84 -0.89 0.23 0.00 0.00 176.35 176.74 1slx s THR 28 N -1.33 4.62 0.51 5.49 2.01 -1.26 -4.70 115.64 120.98 1slx s THR 28 Ca 0.27 1.80 -0.22 0.00 0.31 0.00 0.00 61.69 63.85 1slx s THR 28 Cb -0.12 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.13 1slx s THR 28 CO 0.20 0.36 1.17 -2.65 -0.69 0.00 0.00 174.62 173.01 1slx n PRO 29 N 2.72 1.47 -4.11 4.92 -0.02 -1.26 -4.86 135.00 133.86 1slx n PRO 29 Ca -0.01 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.87 1slx n PRO 29 Cb 0.50 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 1slx n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1slx s GLN 30 N -2.56 0.57 0.00 -0.52 -1.52 -1.26 -5.09 119.66 109.29 1slx s GLN 30 Ca 0.69 -0.69 -0.01 0.00 -1.95 0.00 0.00 55.36 53.40 1slx s GLN 30 Cb -0.46 -0.41 -0.00 0.00 -0.22 0.00 0.00 33.01 31.92 1slx s GLN 30 CO 0.52 0.09 1.01 0.93 -0.25 0.00 0.00 175.29 177.59 1slx h GLU 31 N 4.74 -0.01 -3.56 2.91 5.08 -2.04 -3.31 114.58 118.40 1slx h GLU 31 Ca -0.35 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.28 1slx h GLU 31 Cb 1.20 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.13 1slx h GLU 31 CO 0.42 -0.01 -0.10 0.34 -1.00 0.00 0.00 179.01 178.66 1slx s ASP 32 N -2.73 6.00 0.00 1.42 -1.08 -1.26 -4.89 116.67 114.14 1slx s ASP 32 Ca -0.00 -3.14 0.00 0.00 -0.52 0.00 0.00 52.55 48.89 1slx s ASP 32 Cb 0.00 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.47 1slx s ASP 32 CO 0.02 -0.36 0.62 -0.62 0.52 0.00 0.00 175.17 175.36 1slx n GLU 33 N 3.19 0.93 0.05 4.34 1.02 -1.25 -2.80 120.64 126.12 1slx n GLU 33 Ca 0.15 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1slx n GLU 33 Cb 0.40 -1.30 0.10 0.00 -0.02 0.00 0.00 31.44 30.61 1slx n GLU 33 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1slx n SER 34 N -0.15 0.67 -3.02 1.62 7.64 -1.26 -4.24 113.62 114.87 1slx n SER 34 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 1slx n SER 34 Cb 0.15 0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 1slx n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1slx n THR 35 N -2.09 2.47 -3.82 0.44 -2.24 -1.12 -5.02 114.28 102.89 1slx n THR 35 Ca 0.02 -5.38 -0.09 0.00 -2.27 0.00 0.00 64.05 56.33 1slx n THR 35 Cb 0.45 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.36 1slx n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1slx s LEU 36 N -3.21 0.08 -0.08 3.22 1.43 -1.26 -3.48 118.68 115.38 1slx s LEU 36 Ca 0.47 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1slx s LEU 36 Cb 0.28 2.15 0.10 0.00 0.03 0.00 0.00 46.19 48.75 1slx s LEU 36 CO -0.12 -1.12 0.83 -0.54 0.23 0.00 0.00 176.35 175.63 1slx s LYS 37 N -3.91 0.86 -0.17 1.70 1.02 -0.44 -4.08 119.74 114.72 1slx s LYS 37 Ca 0.12 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 1slx s LYS 37 Cb -0.02 0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 37.69 1slx s LYS 37 CO 0.01 -0.28 -0.11 0.08 -0.92 0.00 0.00 175.35 174.13 1slx s VAL 38 N -1.46 3.00 -0.25 3.17 1.01 -0.12 -1.21 120.40 124.54 1slx s VAL 38 Ca -0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1slx s VAL 38 Cb -0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1slx s VAL 38 CO 0.04 0.49 0.02 -0.70 0.00 0.00 0.00 175.10 174.95 1slx s GLU 39 N 0.90 3.42 0.19 2.72 2.12 -0.12 0.30 118.70 128.22 1slx s GLU 39 Ca -0.03 -0.62 -0.25 0.00 0.36 0.00 0.00 54.97 54.43 1slx s GLU 39 Cb -0.15 -3.20 -0.08 0.00 0.26 0.00 0.00 34.13 30.96 1slx s GLU 39 CO -0.00 -0.24 0.80 -0.51 -0.54 0.00 0.00 175.26 174.76 1slx s LEU 40 N 1.53 4.55 -0.27 2.70 1.43 0.07 -1.74 118.68 126.95 1slx s LEU 40 Ca 0.05 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.83 1slx s LEU 40 Cb -0.15 -3.41 0.07 0.00 0.03 0.00 0.00 46.19 42.73 1slx s LEU 40 CO 0.00 0.17 -0.03 -0.76 0.23 0.00 0.00 176.35 175.95 1slx s LEU 41 N -1.32 3.18 -0.29 1.79 1.43 0.25 -4.93 118.68 118.80 1slx s LEU 41 Ca 0.38 -1.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 1slx s LEU 41 Cb -0.22 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.71 1slx s LEU 41 CO 0.26 -0.27 -0.01 -0.63 0.23 0.00 0.00 176.35 175.93 1slx s ILE 42 N 1.25 3.00 0.00 -0.59 1.01 -1.26 -0.57 121.20 124.03 1slx s ILE 42 Ca -0.02 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.33 1slx s ILE 42 Cb -0.19 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1slx s ILE 42 CO -0.08 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1slx n GLY 43 N 4.64 2.97 3.00 6.18 0.00 -0.59 -0.47 105.19 120.93 1slx n GLY 43 Ca -0.14 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1slx n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1slx s GLN 44 N 1.17 0.43 -0.32 1.61 -0.21 0.05 -0.85 119.66 121.54 1slx s GLN 44 Ca 0.00 -0.49 -0.22 0.00 0.02 0.00 0.00 55.36 54.67 1slx s GLN 44 Cb 0.00 -0.28 -0.00 0.00 1.00 0.00 0.00 33.01 33.73 1slx s GLN 44 CO 0.00 0.06 0.71 0.95 -2.12 0.00 0.00 175.29 174.89 1slx s THR 45 N -0.84 4.84 0.07 -0.19 -4.23 -1.26 0.14 115.64 114.17 1slx s THR 45 Ca -0.06 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1slx s THR 45 Cb -0.06 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 1slx s THR 45 CO 0.00 -0.25 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.03 1slx s LEU 46 N 2.83 2.48 -0.29 4.79 1.43 -0.23 -4.92 118.68 124.77 1slx s LEU 46 Ca 0.29 -0.97 -0.22 0.00 -1.03 0.00 0.00 54.13 52.20 1slx s LEU 46 Cb -0.14 0.08 -0.01 0.00 0.03 0.00 0.00 46.19 46.15 1slx s LEU 46 CO 0.13 -0.53 0.72 -1.61 0.23 0.00 0.00 176.35 175.30 1slx s GLU 47 N -3.72 3.98 0.34 1.70 2.02 -1.26 -0.35 118.70 121.42 1slx s GLU 47 Ca 0.07 0.53 0.04 0.00 0.02 0.00 0.00 54.97 55.63 1slx s GLU 47 Cb 0.06 -3.71 -0.06 0.00 0.10 0.00 0.00 34.13 30.52 1slx s GLU 47 CO -0.07 -0.60 0.06 0.14 0.02 0.00 0.00 175.26 174.81 1slx s VAL 48 N 2.78 1.24 0.00 2.63 -7.23 0.35 -4.91 120.40 115.26 1slx s VAL 48 Ca 0.30 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1slx s VAL 48 Cb -0.15 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1slx s VAL 48 CO 0.11 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.00 1slx n ASP 49 N -0.77 0.00 0.00 4.85 5.68 -1.26 -1.18 116.55 123.86 1slx n ASP 49 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1slx n ASP 49 Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1slx n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1slx s ASN 51 N -0.01 6.42 0.02 0.00 0.01 -1.26 -5.03 114.94 115.09 1slx s ASN 51 Ca 0.00 1.18 -0.30 0.00 -0.71 0.00 0.00 52.86 53.03 1slx s ASN 51 Cb 0.00 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 1slx s ASN 51 CO 0.00 -0.55 1.30 -0.76 -1.51 0.00 0.00 177.10 175.58 1slx s LEU 52 N -4.34 4.33 -0.14 0.60 1.43 -1.26 -4.86 118.68 114.44 1slx s LEU 52 Ca 0.52 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1slx s LEU 52 Cb -0.10 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1slx s LEU 52 CO 0.39 -0.62 -0.14 -1.00 0.23 0.00 0.00 176.35 175.21 1slx s HIS 53 N 1.81 2.79 -0.17 0.29 3.76 -1.26 -3.03 115.29 119.48 1slx s HIS 53 Ca 0.61 -0.82 0.01 0.00 -0.15 0.00 0.00 55.06 54.70 1slx s HIS 53 Cb -0.30 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.53 1slx s HIS 53 CO 0.27 -0.33 -0.17 0.50 -0.85 0.00 0.00 174.74 174.16 1slx s ARG 54 N 0.56 3.12 0.46 1.40 3.52 -0.77 -4.70 118.95 122.54 1slx s ARG 54 Ca -0.09 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 54.60 1slx s ARG 54 Cb -0.16 -2.61 -0.07 0.00 -1.56 0.00 0.00 34.95 30.56 1slx s ARG 54 CO 0.04 -0.08 0.87 -1.17 -0.81 0.00 0.00 175.30 174.14 1slx s LEU 55 N 1.03 3.71 0.24 -0.88 2.96 -1.20 -1.21 118.68 123.32 1slx s LEU 55 Ca -0.01 1.30 0.08 0.00 -0.22 0.00 0.00 54.13 55.27 1slx s LEU 55 Cb -0.15 -4.22 -0.04 0.00 0.50 0.00 0.00 46.19 42.29 1slx s LEU 55 CO -0.05 -0.51 0.11 -0.83 -1.32 0.00 0.00 176.35 173.76 1slx s GLY 56 N -3.24 1.55 0.00 7.98 0.00 -0.82 -4.04 107.32 108.76 1slx s GLY 56 Ca 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1slx s GLY 56 CO 0.33 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.55 1slx n GLY 57 N -0.89 -0.74 3.31 0.20 0.00 -1.19 -2.09 105.19 103.79 1slx n GLY 57 Ca -0.08 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1slx n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1slx s LYS 58 N -1.74 0.46 -0.20 1.61 2.20 0.07 -4.96 119.74 117.18 1slx s LYS 58 Ca 0.00 0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 56.12 1slx s LYS 58 Cb 0.00 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 1slx s LYS 58 CO 0.00 -0.09 0.31 -1.17 -0.36 0.00 0.00 175.35 174.04 1slx s LEU 59 N 0.59 4.17 -0.12 5.43 2.96 -1.26 -1.09 118.68 129.36 1slx s LEU 59 Ca -0.03 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1slx s LEU 59 Cb -0.05 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1slx s LEU 59 CO -0.04 0.00 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.08 1slx s GLU 60 N 1.02 3.09 -0.44 1.98 2.12 -0.04 -4.97 118.70 121.46 1slx s GLU 60 Ca 0.16 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.48 1slx s GLU 60 Cb -0.14 -2.41 0.04 0.00 0.26 0.00 0.00 34.13 31.88 1slx s GLU 60 CO 0.06 0.10 0.38 1.21 -0.54 0.00 0.00 175.26 176.47 1slx s ASN 61 N 0.55 6.15 0.10 -1.70 3.04 -1.26 0.34 114.94 122.16 1slx s ASN 61 Ca -0.13 -0.94 0.03 0.00 0.04 0.00 0.00 52.86 51.86 1slx s ASN 61 Cb -0.17 -2.19 -0.04 0.00 -1.54 0.00 0.00 41.25 37.31 1slx s ASN 61 CO 0.04 -0.57 0.12 -0.54 -3.04 0.00 0.00 177.10 173.12 1slx s LYS 62 N 1.86 2.99 0.21 0.43 1.02 -0.36 -5.00 119.74 120.89 1slx s LYS 62 Ca 0.07 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.35 1slx s LYS 62 Cb -0.20 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 1slx s LYS 62 CO 0.10 0.55 0.42 0.95 -0.92 0.00 0.00 175.35 176.46 1slx s THR 63 N -1.50 5.16 -0.39 2.17 -4.23 -1.26 -2.01 115.64 113.58 1slx s THR 63 Ca 0.31 -0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.42 1slx s THR 63 Cb -0.12 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 70.01 1slx s THR 63 CO 0.23 -0.17 0.52 -0.22 -0.54 0.00 0.00 174.62 174.44 1slx s LEU 64 N -3.27 4.50 0.16 4.79 2.96 0.34 -4.90 118.68 123.25 1slx s LEU 64 Ca 0.40 -0.25 -0.34 0.00 -0.22 0.00 0.00 54.13 53.72 1slx s LEU 64 Cb -0.11 -2.56 -0.16 0.00 0.50 0.00 0.00 46.19 43.86 1slx s LEU 64 CO 0.29 -0.56 1.25 1.21 -1.32 0.00 0.00 176.35 177.22 1slx n GLU 65 N 5.81 1.30 -0.89 1.98 2.13 -1.26 -1.19 120.64 128.52 1slx n GLU 65 Ca -0.05 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1slx n GLU 65 Cb 0.48 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.16 1slx n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1slx n GLY 66 N 2.23 0.43 0.00 8.31 0.00 -1.26 -4.71 105.19 110.19 1slx n GLY 66 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1slx n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1slx n TRP 67 N -2.27 0.00 -0.78 1.61 7.02 -0.77 -5.03 117.44 117.21 1slx n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1slx n TRP 67 Cb 0.10 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1slx n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1slx n GLY 68 N 2.29 0.54 3.90 6.99 0.00 -0.33 -5.02 105.19 113.56 1slx n GLY 68 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 1slx n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1slx s TYR 69 N -2.00 3.56 -0.06 1.61 1.51 -1.25 -4.78 117.35 115.93 1slx s TYR 69 Ca 0.00 0.90 0.05 0.00 -1.01 0.00 0.00 57.07 57.01 1slx s TYR 69 Cb 0.00 -2.37 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1slx s TYR 69 CO 0.00 -0.29 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.41 1slx s ASP 70 N -3.97 3.31 -0.01 2.29 1.01 -1.26 0.13 116.67 118.17 1slx s ASP 70 Ca 0.49 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 53.32 1slx s ASP 70 Cb -0.10 -0.89 -0.00 0.00 1.01 0.00 0.00 42.92 42.94 1slx s ASP 70 CO 0.44 0.26 -0.06 -0.72 0.21 0.00 0.00 175.17 175.30 1slx s TYR 71 N -0.23 0.56 -0.19 4.23 1.13 -0.85 -4.34 117.35 117.66 1slx s TYR 71 Ca -0.01 -0.11 -0.04 0.00 -1.41 0.00 0.00 57.07 55.50 1slx s TYR 71 Cb -0.13 -0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.33 1slx s TYR 71 CO 0.03 -0.03 -0.03 0.71 -2.51 0.00 0.00 175.55 173.73 1slx s TYR 72 N -0.03 3.00 -0.40 -3.49 1.51 0.26 -1.23 117.35 116.97 1slx s TYR 72 Ca 0.01 -0.54 -0.12 0.00 -1.01 0.00 0.00 57.07 55.41 1slx s TYR 72 Cb -0.04 -2.04 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1slx s TYR 72 CO -0.00 -0.26 0.26 0.08 -1.11 0.00 0.00 175.55 174.51 1slx s VAL 73 N 0.91 4.66 -0.40 0.71 1.01 0.15 -0.58 120.40 126.87 1slx s VAL 73 Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1slx s VAL 73 Cb -0.14 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1slx s VAL 73 CO 0.01 -0.36 0.52 0.12 0.00 0.00 0.00 175.10 175.40 1slx s PHE 74 N 1.55 3.14 0.19 5.22 2.19 0.16 -0.86 117.98 129.57 1slx s PHE 74 Ca 0.03 -0.07 0.03 0.00 0.33 0.00 0.00 56.93 57.25 1slx s PHE 74 Cb -0.21 -3.03 -0.01 0.00 -1.31 0.00 0.00 43.02 38.47 1slx s PHE 74 CO 0.06 -0.68 0.10 -0.40 1.83 0.00 0.00 175.22 176.13 1slx n ASP 75 N 5.83 0.55 -3.37 6.13 5.75 -0.25 -4.14 116.55 127.06 1slx n ASP 75 Ca -0.05 -2.10 -0.16 0.00 -0.01 0.00 0.00 54.79 52.47 1slx n ASP 75 Cb 0.48 0.64 0.09 0.00 -1.03 0.00 0.00 41.12 41.30 1slx n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1slx n LYS 76 N -0.41 -5.78 -2.62 0.11 5.02 -1.26 -0.75 118.16 112.46 1slx n LYS 76 Ca -0.00 0.84 -0.40 0.00 -2.02 0.00 0.00 58.31 56.73 1slx n LYS 76 Cb 0.31 -5.82 -0.05 0.00 -0.02 0.00 0.00 35.03 29.45 1slx n LYS 76 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1slx s VAL 77 N -3.36 3.85 0.06 -0.18 1.01 -1.26 -3.18 120.40 117.34 1slx s VAL 77 Ca 0.08 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1slx s VAL 77 Cb -0.01 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1slx s VAL 77 CO 0.72 0.42 -0.11 -0.94 0.00 0.00 0.00 175.10 175.19 1slx s SER 78 N -0.91 1.31 0.72 3.32 1.04 -0.89 -4.89 113.70 113.41 1slx s SER 78 Ca 0.43 -0.61 -0.16 0.00 0.48 0.00 0.00 55.95 56.09 1slx s SER 78 Cb -0.28 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1slx s SER 78 CO 0.36 -0.15 0.93 -1.20 0.98 0.00 0.00 173.24 174.16 1slx n SER 79 N 1.27 0.32 -4.74 7.02 7.64 -1.26 -1.94 113.62 121.94 1slx n SER 79 Ca -0.21 0.66 -0.42 0.00 1.01 0.00 0.00 58.87 59.91 1slx n SER 79 Cb 0.55 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 62.33 1slx n SER 79 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1slx s PRO 80 N -3.29 4.27 0.41 1.43 0.02 -1.26 -4.34 135.00 132.24 1slx s PRO 80 Ca 0.72 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.98 1slx s PRO 80 Cb -0.34 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 1slx s PRO 80 CO 0.51 -0.45 0.67 0.14 -0.33 0.00 0.00 177.00 177.54 1slx s VAL 81 N 0.36 4.99 0.25 3.83 -7.23 -0.35 -4.83 120.40 117.41 1slx s VAL 81 Ca 0.62 -0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.74 1slx s VAL 81 Cb -0.41 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 32.66 1slx s VAL 81 CO 0.39 -0.66 0.24 -0.44 -0.31 0.00 0.00 175.10 174.32 1slx s SER 82 N -3.92 0.50 0.07 4.85 0.01 -1.26 -1.84 113.70 112.12 1slx s SER 82 Ca 0.44 -1.41 -0.20 0.00 1.31 0.00 0.00 55.95 56.09 1slx s SER 82 Cb -0.10 0.47 -0.07 0.00 0.21 0.00 0.00 66.02 66.53 1slx s SER 82 CO 0.39 -0.97 0.60 0.42 0.41 0.00 0.00 173.24 174.09 1slx s THR 83 N -3.89 4.73 -0.12 1.44 -4.23 -1.17 -4.99 115.64 107.41 1slx s THR 83 Ca 0.36 1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 62.11 1slx s THR 83 Cb 0.04 -3.93 -0.12 0.00 1.34 0.00 0.00 72.50 69.83 1slx s THR 83 CO 0.16 0.53 3.06 0.23 -0.54 0.00 0.00 174.62 178.06 1slx n MET 84 N 1.89 1.91 -3.25 3.99 0.00 -1.26 -4.74 117.12 115.65 1slx n MET 84 Ca -0.09 -1.17 -0.19 0.00 0.00 0.00 0.00 57.70 56.26 1slx n MET 84 Cb 0.51 -1.84 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1slx n MET 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1slx s MET 85 N 0.05 3.00 0.01 0.03 0.23 -1.26 -5.10 119.30 116.25 1slx s MET 85 Ca 0.52 -1.04 -0.08 0.00 -1.03 0.00 0.00 55.69 54.06 1slx s MET 85 Cb 0.28 -2.77 -0.05 0.00 -1.53 0.00 0.00 34.83 30.76 1slx s MET 85 CO -0.05 -0.10 0.29 -1.58 -2.03 0.00 0.00 175.02 171.55 1slx s HIS 86 N -2.28 3.59 0.02 3.16 2.46 -1.26 -4.92 115.29 116.06 1slx s HIS 86 Ca 0.49 0.64 0.08 0.00 0.47 0.00 0.00 55.06 56.74 1slx s HIS 86 Cb -0.10 -2.04 -0.02 0.00 -0.13 0.00 0.00 32.58 30.29 1slx s HIS 86 CO 0.32 0.61 -0.24 0.00 -2.47 0.00 0.00 174.74 172.96 1slx s PRO 88 N -0.96 4.69 0.09 0.00 0.04 -1.26 -5.09 135.00 132.52 1slx s PRO 88 Ca 0.10 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.54 1slx s PRO 88 Cb -0.09 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1slx s PRO 88 CO 0.01 0.38 0.00 -0.51 0.04 0.00 0.00 177.00 176.92 1slx s ASP 89 N -0.58 5.04 0.24 6.66 1.11 -1.26 -5.06 116.67 122.82 1slx s ASP 89 Ca 0.42 -0.18 0.03 0.00 0.18 0.00 0.00 52.55 53.00 1slx s ASP 89 Cb -0.24 -1.20 -0.05 0.00 1.07 0.00 0.00 42.92 42.50 1slx s ASP 89 CO 0.29 0.17 0.03 -1.59 1.18 0.00 0.00 175.17 175.25 1slx s LYS 92 N -2.33 1.35 0.05 8.23 -2.85 -1.26 -5.29 119.74 117.64 1slx s LYS 92 Ca 0.26 -1.70 -0.00 0.00 -1.00 0.00 0.00 55.97 53.53 1slx s LYS 92 Cb -0.12 -0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 35.11 1slx s LYS 92 CO 0.18 -0.15 -0.04 -1.83 0.10 0.00 0.00 175.35 173.61 1slx s GLU 93 N -3.91 0.56 -0.09 1.78 -1.05 -0.33 -4.93 118.70 110.73 1slx s GLU 93 Ca 0.31 -1.05 -0.23 0.00 -0.15 0.00 0.00 54.97 53.84 1slx s GLU 93 Cb 0.06 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1slx s GLU 93 CO 0.10 -0.07 0.71 -1.59 0.95 0.00 0.00 175.26 175.35 1slx s LYS 94 N -3.15 4.40 0.03 -4.83 -2.85 -1.26 -0.49 119.74 111.59 1slx s LYS 94 Ca 0.01 0.87 -0.03 0.00 -1.00 0.00 0.00 55.97 55.82 1slx s LYS 94 Cb 0.02 -3.47 -0.02 0.00 -2.06 0.00 0.00 37.83 32.30 1slx s LYS 94 CO -0.06 -0.01 0.04 0.15 0.10 0.00 0.00 175.35 175.57 1slx s LYS 95 N 1.07 0.47 -0.69 1.78 -0.14 0.52 -4.94 119.74 117.81 1slx s LYS 95 Ca 0.37 -0.69 -0.27 0.00 -1.36 0.00 0.00 55.97 54.02 1slx s LYS 95 Cb -0.17 0.18 0.04 0.00 -1.68 0.00 0.00 37.83 36.19 1slx s LYS 95 CO 0.17 -0.10 1.21 0.12 -0.76 0.00 0.00 175.35 175.99 1slx s PHE 96 N -2.13 2.41 -0.52 3.18 5.36 -1.26 -1.07 117.98 123.95 1slx s PHE 96 Ca -0.09 -0.03 -0.26 0.00 -0.96 0.00 0.00 56.93 55.59 1slx s PHE 96 Cb -0.04 -4.55 0.03 0.00 -0.34 0.00 0.00 43.02 38.12 1slx s PHE 96 CO -0.03 -1.91 0.99 0.08 -1.46 0.00 0.00 175.22 172.90 1slx s VAL 97 N 5.33 4.34 0.19 3.12 1.01 0.12 -4.89 120.40 129.62 1slx s VAL 97 Ca 0.35 0.64 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 1slx s VAL 97 Cb -0.09 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.69 1slx s VAL 97 CO 0.16 -1.04 0.47 -0.89 0.00 0.00 0.00 175.10 173.81 1slx s THR 98 N 4.09 5.04 0.26 3.92 2.01 -1.26 -0.77 115.64 128.93 1slx s THR 98 Ca 0.36 0.27 -0.20 0.00 0.31 0.00 0.00 61.69 62.44 1slx s THR 98 Cb -0.10 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 1slx s THR 98 CO 0.24 -0.03 0.76 0.00 -0.69 0.00 0.00 174.62 174.90 1slx s ALA 99 N -1.75 3.36 -0.92 7.40 0.00 0.38 -3.27 121.76 126.97 1slx s ALA 99 Ca 0.45 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 1slx s ALA 99 Cb -0.12 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1slx s ALA 99 CO 0.23 0.30 1.38 -0.47 0.00 0.00 0.00 175.76 177.20 1slx s TYR 100 N -1.63 2.46 -2.00 0.00 5.04 -1.26 -4.64 117.35 115.33 1slx s TYR 100 Ca 0.46 -0.57 0.11 0.00 -2.44 0.00 0.00 57.07 54.63 1slx s TYR 100 Cb -0.16 -4.66 0.67 0.00 0.35 0.00 0.00 41.96 38.16 1slx s TYR 100 CO 0.20 -1.97 1.24 1.28 -1.34 0.00 0.00 175.55 174.96 1slx n LEU 101 N 8.99 0.00 0.00 6.97 7.99 -1.26 -4.98 117.00 134.71 1slx n LEU 101 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 1slx n LEU 101 Cb 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 1slx n LEU 101 CO 0.67 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.16 1slx n GLY 102 N 0.38 2.89 0.13 -0.72 0.00 -1.26 -2.57 105.19 104.04 1slx n GLY 102 Ca 0.08 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1slx n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1slx h ASP 103 N 6.46 0.00 0.00 1.61 3.32 -2.00 -3.34 116.42 122.48 1slx h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1slx h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1slx h ASP 103 CO 0.00 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 1slx n ALA 104 N -2.27 2.07 0.32 3.45 0.00 -1.06 -2.17 120.51 120.86 1slx n ALA 104 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1slx n ALA 104 Cb 0.72 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1slx n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1slx n GLY 105 N 0.25 -0.00 3.32 0.00 0.00 -1.24 -4.86 105.19 102.67 1slx n GLY 105 Ca 0.00 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 1slx n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1slx s MET 106 N -1.30 3.24 0.40 1.61 1.00 -0.92 -0.75 119.30 122.58 1slx s MET 106 Ca 0.05 -2.04 -0.01 0.00 0.00 0.00 0.00 55.69 53.69 1slx s MET 106 Cb 0.06 -4.35 -0.03 0.00 0.00 0.00 0.00 34.83 30.51 1slx s MET 106 CO 0.22 -1.31 0.64 -0.51 0.00 0.00 0.00 175.02 174.06 1slx s LEU 107 N 0.97 3.84 0.12 -0.03 1.43 0.15 -4.93 118.68 120.23 1slx s LEU 107 Ca 0.10 0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.57 1slx s LEU 107 Cb -0.21 -3.46 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1slx s LEU 107 CO -0.02 -0.44 0.62 0.00 0.23 0.00 0.00 176.35 176.74 1slx s ARG 108 N -4.48 4.24 0.09 1.70 1.70 -1.26 -0.95 118.95 119.99 1slx s ARG 108 Ca 0.43 0.80 -0.31 0.00 -0.47 0.00 0.00 55.73 56.18 1slx s ARG 108 Cb -0.10 -3.15 -0.08 0.00 -0.57 0.00 0.00 34.95 31.05 1slx s ARG 108 CO 0.39 0.57 1.49 -0.47 -1.08 0.00 0.00 175.30 176.20 1slx s TYR 109 N -1.22 2.92 -0.38 5.89 6.14 -1.26 -4.74 117.35 124.70 1slx s TYR 109 Ca 0.33 0.70 0.07 0.00 0.64 0.00 0.00 57.07 58.81 1slx s TYR 109 Cb -0.19 -3.79 0.18 0.00 0.42 0.00 0.00 41.96 38.57 1slx s TYR 109 CO 0.21 -2.96 0.59 1.21 0.64 0.00 0.00 175.55 175.23 1slx s ASN 110 N 1.61 -1.18 0.00 4.32 2.47 -1.26 -4.90 114.94 116.00 1slx s ASN 110 Ca 0.68 -0.68 0.13 0.00 0.42 0.00 0.00 52.86 53.41 1slx s ASN 110 Cb -0.38 1.79 0.71 0.00 -1.45 0.00 0.00 41.25 41.92 1slx s ASN 110 CO 0.30 -0.21 1.26 -1.54 -3.72 0.00 0.00 177.10 173.19 1slx n SER 111 N 4.62 0.00 0.18 -4.21 3.41 -1.26 -2.54 113.62 113.82 1slx n SER 111 Ca 0.10 -0.15 0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1slx n SER 111 Cb 0.55 -0.14 0.33 0.00 -0.26 0.00 0.00 64.21 64.69 1slx n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1slx h LYS 112 N 0.00 0.00 -4.71 4.33 1.79 -1.95 -3.45 116.57 112.58 1slx h LYS 112 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1slx h LYS 112 Cb 0.06 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.54 1slx h LYS 112 CO 0.00 0.42 -0.71 -0.51 -1.08 0.00 0.00 179.45 177.56 1slx s LEU 113 N -7.72 2.42 0.07 2.94 1.43 -1.05 -5.15 118.68 111.62 1slx s LEU 113 Ca -0.02 -0.85 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 1slx s LEU 113 Cb 0.13 -0.15 -0.07 0.00 0.03 0.00 0.00 46.19 46.13 1slx s LEU 113 CO 0.72 -0.35 0.60 -2.16 0.23 0.00 0.00 176.35 175.38 1slx s PRO 114 N -3.04 4.26 -0.11 1.29 0.04 -1.26 -4.72 135.00 131.46 1slx s PRO 114 Ca 0.05 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.60 1slx s PRO 114 Cb -0.00 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1slx s PRO 114 CO -0.02 0.59 0.96 0.42 0.04 0.00 0.00 177.00 178.99 1slx s ILE 115 N -0.98 4.82 -0.22 0.56 1.01 0.31 -4.89 121.20 121.81 1slx s ILE 115 Ca 0.30 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.89 1slx s ILE 115 Cb -0.20 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.03 1slx s ILE 115 CO 0.20 0.02 -0.13 -0.69 0.00 0.00 0.00 174.94 174.34 1slx s VAL 116 N 1.97 2.40 -0.10 2.92 1.01 -1.26 -0.38 120.40 126.95 1slx s VAL 116 Ca 0.46 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1slx s VAL 116 Cb -0.18 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1slx s VAL 116 CO 0.17 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.70 1slx s VAL 117 N 1.26 2.68 -0.25 2.92 1.01 -0.24 -0.57 120.40 127.22 1slx s VAL 117 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1slx s VAL 117 Cb -0.16 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1slx s VAL 117 CO -0.08 0.55 0.02 -0.31 0.00 0.00 0.00 175.10 175.28 1slx s TYR 118 N 0.10 3.05 0.21 5.22 2.02 0.25 -0.39 117.35 127.80 1slx s TYR 118 Ca -0.08 -0.81 0.02 0.00 -0.37 0.00 0.00 57.07 55.83 1slx s TYR 118 Cb -0.15 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.18 1slx s TYR 118 CO 0.05 -0.50 0.03 0.95 -1.57 0.00 0.00 175.55 174.51 1slx s THR 119 N 1.52 0.71 0.77 -0.71 -4.23 -1.10 0.35 115.64 112.95 1slx s THR 119 Ca 0.05 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1slx s THR 119 Cb -0.15 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.43 1slx s THR 119 CO 0.00 -0.31 1.15 -2.84 -0.54 0.00 0.00 174.62 172.08 1slx s PRO 120 N -3.94 2.03 0.62 3.99 0.02 -1.26 -1.50 135.00 134.96 1slx s PRO 120 Ca 0.29 1.52 0.28 0.00 0.02 0.00 0.00 61.00 63.11 1slx s PRO 120 Cb 0.06 -1.84 1.47 0.00 0.02 0.00 0.00 34.50 34.21 1slx s PRO 120 CO 0.08 -1.87 1.86 -0.44 -0.33 0.00 0.00 177.00 176.30 1slx h ASP 121 N -0.77 0.00 0.07 2.53 3.32 -1.42 -0.93 116.42 119.21 1slx h ASP 121 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1slx h ASP 121 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1slx h ASP 121 CO 0.49 0.00 -0.14 -0.46 -1.72 0.00 0.00 179.24 177.41 1slx n ASN 122 N -3.36 1.61 -4.87 6.45 0.23 -1.26 -4.94 115.26 109.13 1slx n ASN 122 Ca 0.04 -1.37 -0.26 0.00 -0.53 0.00 0.00 54.58 52.47 1slx n ASN 122 Cb 0.58 0.10 -0.04 0.00 -2.08 0.00 0.00 39.78 38.34 1slx n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1slx s VAL 123 N -2.22 4.88 0.03 3.53 1.01 -0.36 -4.76 120.40 122.52 1slx s VAL 123 Ca 0.30 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1slx s VAL 123 Cb 0.20 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1slx s VAL 123 CO 0.42 -0.12 -0.15 -1.81 0.00 0.00 0.00 175.10 173.44 1slx s ASP 124 N -3.22 1.77 -0.10 3.32 1.01 -0.03 -4.84 116.67 114.58 1slx s ASP 124 Ca 0.33 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.17 1slx s ASP 124 Cb -0.10 -0.13 -0.02 0.00 1.01 0.00 0.00 42.92 43.68 1slx s ASP 124 CO 0.26 0.07 -0.15 -0.69 0.21 0.00 0.00 175.17 174.87 1slx s VAL 125 N -0.75 2.89 0.05 -1.27 1.01 -1.26 -1.53 120.40 119.53 1slx s VAL 125 Ca 0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1slx s VAL 125 Cb -0.08 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1slx s VAL 125 CO 0.01 0.55 -0.04 -0.54 0.00 0.00 0.00 175.10 175.08 1slx s LYS 126 N -0.00 0.57 0.13 2.72 1.02 0.26 -4.97 119.74 119.47 1slx s LYS 126 Ca -0.05 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1slx s LYS 126 Cb -0.14 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1slx s LYS 126 CO 0.04 -0.07 0.02 1.52 -0.92 0.00 0.00 175.35 175.95 1slx s TYR 127 N -3.06 0.95 -0.03 3.18 1.13 -1.26 0.88 117.35 119.14 1slx s TYR 127 Ca 0.01 -1.13 -0.05 0.00 -1.41 0.00 0.00 57.07 54.49 1slx s TYR 127 Cb 0.02 -0.55 0.01 0.00 -1.10 0.00 0.00 41.96 40.34 1slx s TYR 127 CO -0.06 -0.38 0.13 0.50 -2.51 0.00 0.00 175.55 173.23 1slx s ARG 128 N -3.98 0.26 0.25 -3.49 3.52 -0.71 -4.97 118.95 109.83 1slx s ARG 128 Ca 0.21 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1slx s ARG 128 Cb 0.07 0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 33.52 1slx s ARG 128 CO 0.01 -0.05 0.51 0.08 -0.81 0.00 0.00 175.30 175.04 1slx s VAL 129 N -0.45 5.04 -0.06 7.11 1.01 -1.26 -0.94 120.40 130.85 1slx s VAL 129 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1slx s VAL 129 Cb -0.03 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1slx s VAL 129 CO 0.01 -0.20 -0.06 0.26 0.00 0.00 0.00 175.10 175.11 1slx s TRP 130 N -1.95 0.93 -0.10 5.22 0.52 -0.35 -4.95 118.94 118.27 1slx s TRP 130 Ca 0.44 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.26 1slx s TRP 130 Cb -0.11 -0.80 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1slx s TRP 130 CO 0.27 -0.25 -0.11 0.21 0.02 0.00 0.00 176.95 177.09 1slx s LYS 131 N 1.05 3.02 0.51 4.98 2.20 -1.26 -1.33 119.74 128.91 1slx s LYS 131 Ca -0.09 -0.63 -0.20 0.00 -0.36 0.00 0.00 55.97 54.68 1slx s LYS 131 Cb -0.14 -2.58 -0.07 0.00 -1.51 0.00 0.00 37.83 33.53 1slx s LYS 131 CO -0.00 0.44 1.12 0.00 -0.36 0.00 0.00 175.35 176.54 1slx s ALA 132 N -0.23 2.79 0.50 3.13 0.00 -1.23 -5.00 121.76 121.72 1slx s ALA 132 Ca 0.02 0.80 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 1slx s ALA 132 Cb -0.13 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1slx s ALA 132 CO 0.03 -0.65 1.01 -2.00 0.00 0.00 0.00 175.76 174.15 1slx s GLU 133 N -3.14 3.85 -0.00 0.00 2.56 -1.26 -4.92 118.70 115.79 1slx s GLU 133 Ca 0.70 1.19 0.00 0.00 0.00 0.00 0.00 54.97 56.86 1slx s GLU 133 Cb -0.23 -2.11 0.01 0.00 2.00 0.00 0.00 34.13 33.79 1slx s GLU 133 CO 0.27 -0.37 1.03 -1.91 -0.56 0.00 0.00 175.26 173.72 1slx n GLU 134 N -1.19 1.01 -4.03 4.30 4.07 -1.26 -4.81 120.64 118.73 1slx n GLU 134 Ca 0.08 -0.02 -0.11 0.00 -0.06 0.00 0.00 57.16 57.05 1slx n GLU 134 Cb 0.53 -1.01 -0.11 0.00 -0.06 0.00 0.00 31.44 30.79 1slx n GLU 134 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1slx s LYS 135 N -0.03 0.46 -0.22 5.31 1.02 -1.26 -5.13 119.74 119.89 1slx s LYS 135 Ca 0.00 -0.76 -0.03 0.00 0.02 0.00 0.00 55.97 55.20 1slx s LYS 135 Cb 0.00 -0.08 0.07 0.00 -0.52 0.00 0.00 37.83 37.31 1slx s LYS 135 CO 0.00 -0.01 0.08 0.42 -0.92 0.00 0.00 175.35 174.92 1slx s ILE 136 N -1.72 0.31 0.48 2.17 1.01 -1.26 -5.14 121.20 117.05 1slx s ILE 136 Ca -0.10 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1slx s ILE 136 Cb -0.08 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.42 1slx s ILE 136 CO -0.01 -0.39 0.66 -1.81 0.00 0.00 0.00 174.94 173.39 1slx s ASP 137 N 1.94 5.46 0.36 3.58 1.01 -1.26 -5.13 116.67 122.63 1slx s ASP 137 Ca 0.03 -0.35 0.08 0.00 0.71 0.00 0.00 52.55 53.02 1slx s ASP 137 Cb -0.17 -0.60 -0.04 0.00 1.01 0.00 0.00 42.92 43.12 1slx s ASP 137 CO -0.16 -0.96 0.18 0.20 0.21 0.00 0.00 175.17 174.64 1slx s ASN 138 N -4.41 4.72 0.92 0.27 0.01 -1.26 -5.14 114.94 110.04 1slx s ASN 138 Ca 0.57 -0.80 -0.04 0.00 -0.71 0.00 0.00 52.86 51.87 1slx s ASN 138 Cb -0.10 -0.69 0.07 0.00 0.41 0.00 0.00 41.25 40.95 1slx s ASN 138 CO 0.35 -0.38 0.39 0.00 -1.51 0.00 0.00 177.10 175.96 1slx n ALA 139 N -1.22 -0.39 -3.65 0.60 0.00 -1.26 -5.10 120.51 109.49 1slx n ALA 139 Ca -0.02 -0.54 -0.21 0.00 0.00 0.00 0.00 53.44 52.67 1slx n ALA 139 Cb 0.62 -0.01 -0.17 0.00 0.00 0.00 0.00 19.45 19.89 1slx n ALA 139 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1slx s VAL 140 N -1.72 0.53 -0.28 0.00 1.01 -1.26 -5.11 120.40 113.57 1slx s VAL 140 Ca 0.23 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 1slx s VAL 140 Cb -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1slx s VAL 140 CO 0.16 0.23 0.75 -0.69 0.00 0.00 0.00 175.10 175.55 1slx s VAL 141 N 1.08 4.85 0.00 2.92 1.01 -1.26 -5.38 120.40 123.63 1slx s VAL 141 Ca -0.08 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1slx s VAL 141 Cb -0.14 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1slx s VAL 141 CO -0.01 -0.15 0.00 -2.11 0.00 0.00 0.00 175.10 172.83