#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9y h ALA 15 N 0.00 1.05 -0.01 4.31 0.00 -1.96 -3.47 119.26 119.18 1n9y h ALA 15 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1n9y h ALA 15 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1n9y h ALA 15 CO 0.00 0.67 -0.00 0.41 0.00 0.00 0.00 179.25 180.32 1n9y n GLY 16 N 0.03 0.43 0.14 0.00 0.00 -1.26 -4.95 105.19 99.58 1n9y n GLY 16 Ca -0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1n9y n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n9y h ILE 17 N 0.00 0.71 -1.70 -0.61 2.04 -1.96 -3.47 117.51 112.52 1n9y h ILE 17 Ca -0.00 -2.37 -0.68 0.00 1.00 0.00 0.00 64.86 62.80 1n9y h ILE 17 Cb 0.16 2.56 0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1n9y h ILE 17 CO 0.00 0.87 0.60 0.41 0.00 0.00 0.00 178.15 180.03 1n9y n THR 18 N -3.56 0.09 -0.51 -0.27 -1.04 -1.26 -4.81 114.28 102.91 1n9y n THR 18 Ca -0.30 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1n9y n THR 18 Cb 1.03 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 1n9y n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n9y n GLY 19 N 3.01 0.78 3.81 3.41 0.00 -0.36 -4.99 105.19 110.84 1n9y n GLY 19 Ca 0.20 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1n9y n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9y s THR 20 N -2.89 5.45 0.04 2.61 2.01 -1.26 -1.45 115.64 120.14 1n9y s THR 20 Ca 0.00 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1n9y s THR 20 Cb 0.00 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1n9y s THR 20 CO 0.00 0.53 -0.14 0.26 -0.69 0.00 0.00 174.62 174.58 1n9y s TRP 21 N -0.35 1.22 -0.03 4.92 0.52 0.90 -4.62 118.94 121.50 1n9y s TRP 21 Ca 0.12 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.95 1n9y s TRP 21 Cb -0.12 -0.73 -0.01 0.00 -1.15 0.00 0.00 33.47 31.46 1n9y s TRP 21 CO 0.01 0.03 -0.21 0.71 0.02 0.00 0.00 176.95 177.51 1n9y s TYR 22 N -0.83 1.97 0.34 -1.98 1.51 0.40 -0.04 117.35 118.72 1n9y s TYR 22 Ca 0.02 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1n9y s TYR 22 Cb -0.08 -1.28 0.06 0.00 -0.11 0.00 0.00 41.96 40.55 1n9y s TYR 22 CO 0.01 -0.08 0.47 0.27 -1.11 0.00 0.00 175.55 175.11 1n9y n ASN 23 N 2.69 1.14 0.00 2.29 6.94 -0.83 -1.55 115.26 125.93 1n9y n ASN 23 Ca -0.16 -1.84 0.10 0.00 -0.02 0.00 0.00 54.58 52.66 1n9y n ASN 23 Cb 0.53 -0.26 0.48 0.00 -2.36 0.00 0.00 39.78 38.16 1n9y n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n9y n GLN 24 N -1.76 0.16 -0.13 -3.83 0.00 -1.20 -3.36 117.38 107.25 1n9y n GLN 24 Ca 0.09 0.12 0.04 0.00 0.00 0.00 0.00 57.00 57.26 1n9y n GLN 24 Cb 0.34 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.19 1n9y n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1n9y n LEU 25 N -1.39 2.65 0.00 2.61 4.77 -1.26 -4.97 117.00 119.41 1n9y n LEU 25 Ca 0.07 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.90 1n9y n LEU 25 Cb 0.20 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1n9y n LEU 25 CO 0.17 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1n9y n GLY 26 N -0.05 0.75 3.83 -0.72 0.00 -1.21 -5.07 105.19 102.72 1n9y n GLY 26 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1n9y n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9y s ALA 27 N -2.30 3.03 -0.11 4.61 0.00 -1.26 -4.71 121.76 121.03 1n9y s ALA 27 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1n9y s ALA 27 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1n9y s ALA 27 CO 0.00 -0.11 -0.13 0.99 0.00 0.00 0.00 175.76 176.51 1n9y s THR 28 N -2.40 1.39 -0.23 0.00 2.01 0.19 -1.97 115.64 114.63 1n9y s THR 28 Ca 0.61 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 62.01 1n9y s THR 28 Cb -0.10 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 1n9y s THR 28 CO 0.23 0.42 -0.03 0.12 -0.69 0.00 0.00 174.62 174.67 1n9y s PHE 29 N 1.18 2.99 -0.22 4.92 5.36 0.95 -0.61 117.98 132.55 1n9y s PHE 29 Ca -0.03 -0.99 -0.01 0.00 -0.96 0.00 0.00 56.93 54.94 1n9y s PHE 29 Cb -0.14 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.43 1n9y s PHE 29 CO -0.04 -0.56 -0.10 0.42 -1.46 0.00 0.00 175.22 173.48 1n9y s ILE 30 N 1.47 2.77 0.03 3.12 -1.09 0.67 -0.07 121.20 128.11 1n9y s ILE 30 Ca 0.05 -0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1n9y s ILE 30 Cb -0.15 -2.29 -0.02 0.00 -1.58 0.00 0.00 42.46 38.42 1n9y s ILE 30 CO -0.03 0.38 -0.01 0.54 -1.23 0.00 0.00 174.94 174.60 1n9y s VAL 31 N 1.36 0.14 -0.08 2.92 0.11 -0.53 -0.52 120.40 123.80 1n9y s VAL 31 Ca 0.04 -1.13 0.03 0.00 -2.93 0.00 0.00 61.98 57.98 1n9y s VAL 31 Cb -0.15 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1n9y s VAL 31 CO -0.07 -0.62 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.01 1n9y s THR 32 N -2.15 1.55 -0.41 5.04 2.01 0.18 -1.22 115.64 120.63 1n9y s THR 32 Ca -0.09 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 1n9y s THR 32 Cb -0.05 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.12 1n9y s THR 32 CO -0.03 0.45 0.29 0.00 -0.69 0.00 0.00 174.62 174.63 1n9y s ALA 33 N 0.52 3.43 0.57 7.40 0.00 -1.26 -2.12 121.76 130.30 1n9y s ALA 33 Ca -0.17 -1.79 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 1n9y s ALA 33 Cb -0.17 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1n9y s ALA 33 CO 0.06 -1.48 0.82 0.20 0.00 0.00 0.00 175.76 175.36 1n9y s GLY 34 N 1.78 1.77 0.53 0.00 0.00 0.07 -4.86 107.32 106.62 1n9y s GLY 34 Ca 0.04 -1.20 0.27 0.00 0.00 0.00 0.00 44.72 43.83 1n9y s GLY 34 CO 0.08 -0.90 2.11 0.00 0.00 0.00 0.00 173.10 174.40 1n9y h ALA 35 N -0.05 1.37 -0.28 3.20 0.00 -1.98 -2.14 119.26 119.38 1n9y h ALA 35 Ca -0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1n9y h ALA 35 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n9y h ALA 35 CO 0.55 0.12 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1n9y n ASP 36 N -3.73 2.48 0.00 0.00 5.75 -1.26 -4.89 116.55 114.90 1n9y n ASP 36 Ca -0.02 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1n9y n ASP 36 Cb 0.20 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1n9y n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9y n GLY 37 N 0.60 0.68 3.88 6.12 0.00 -0.80 -5.04 105.19 110.62 1n9y n GLY 37 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1n9y n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9y s ALA 38 N -2.19 3.55 -0.12 4.61 0.00 -1.25 -1.58 121.76 124.78 1n9y s ALA 38 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1n9y s ALA 38 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1n9y s ALA 38 CO 0.00 0.43 -0.18 -0.51 0.00 0.00 0.00 175.76 175.50 1n9y s LEU 39 N -2.98 2.38 -0.02 0.00 1.02 0.04 -0.75 118.68 118.37 1n9y s LEU 39 Ca 0.47 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 54.15 1n9y s LEU 39 Cb -0.11 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.60 1n9y s LEU 39 CO 0.23 0.14 0.04 -0.89 0.02 0.00 0.00 176.35 175.89 1n9y s THR 40 N 0.47 -0.02 -3.05 5.49 2.01 -0.90 -0.43 115.64 119.22 1n9y s THR 40 Ca -0.13 0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1n9y s THR 40 Cb -0.17 -0.07 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1n9y s THR 40 CO 0.05 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1n9y n GLY 41 N 3.47 -0.59 3.12 4.40 0.00 -1.04 -0.65 105.19 113.90 1n9y n GLY 41 Ca -0.18 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1n9y n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9y s THR 42 N -3.73 0.73 -0.07 2.61 -4.23 0.32 -1.55 115.64 109.71 1n9y s THR 42 Ca 0.00 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 1n9y s THR 42 Cb 0.00 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1n9y s THR 42 CO 0.00 -0.47 -0.18 -0.47 -0.54 0.00 0.00 174.62 172.96 1n9y s TYR 43 N -1.93 1.95 0.34 3.99 6.14 0.13 -0.24 117.35 127.74 1n9y s TYR 43 Ca -0.02 -0.71 -0.03 0.00 0.64 0.00 0.00 57.07 56.95 1n9y s TYR 43 Cb -0.06 -1.34 0.00 0.00 0.42 0.00 0.00 41.96 40.99 1n9y s TYR 43 CO -0.00 -0.29 0.49 -1.83 0.64 0.00 0.00 175.55 174.55 1n9y s GLU 44 N 0.36 1.91 0.00 4.97 -1.05 0.22 -0.86 118.70 124.25 1n9y s GLU 44 Ca -0.13 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 52.96 1n9y s GLU 44 Cb -0.15 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1n9y s GLU 44 CO 0.05 -0.80 0.53 -1.13 0.95 0.00 0.00 175.26 174.87 1n9y n SER 45 N -1.38 0.00 -1.53 0.83 3.41 -1.21 0.54 113.62 114.28 1n9y n SER 45 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1n9y n SER 45 Cb 0.61 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1n9y n SER 45 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1n9y n ASN 49 N -0.84 -6.91 0.05 4.04 6.94 -1.26 -4.63 115.26 112.65 1n9y n ASN 49 Ca 0.00 1.18 0.10 0.00 -0.02 0.00 0.00 54.58 55.84 1n9y n ASN 49 Cb 0.00 -4.40 0.55 0.00 -2.36 0.00 0.00 39.78 33.57 1n9y n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n9y h ALA 50 N 1.10 2.00 0.00 -2.53 0.00 -2.04 0.63 119.26 118.41 1n9y h ALA 50 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n9y h ALA 50 Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n9y h ALA 50 CO 0.00 -0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.09 1n9y h GLU 51 N 0.27 0.00 -0.49 0.00 3.07 -2.02 -2.66 114.58 112.75 1n9y h GLU 51 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1n9y h GLU 51 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1n9y h GLU 51 CO -0.03 0.02 0.00 -1.13 -1.40 0.00 0.00 179.01 176.47 1n9y n SER 52 N -3.23 3.47 -4.86 1.42 3.41 0.21 -4.85 113.62 109.19 1n9y n SER 52 Ca -0.02 -2.10 -0.37 0.00 -0.26 0.00 0.00 58.87 56.12 1n9y n SER 52 Cb 0.17 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1n9y n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1n9y s ARG 53 N -1.19 3.46 0.01 4.33 0.52 -1.00 -3.29 118.95 121.80 1n9y s ARG 53 Ca 0.35 -0.15 -0.07 0.00 -0.52 0.00 0.00 55.73 55.34 1n9y s ARG 53 Cb 0.19 -3.19 -0.00 0.00 0.52 0.00 0.00 34.95 32.48 1n9y s ARG 53 CO 0.21 0.75 0.12 0.71 0.02 0.00 0.00 175.30 177.12 1n9y s TYR 54 N -0.94 0.08 0.35 -0.53 1.51 -0.04 -4.79 117.35 112.98 1n9y s TYR 54 Ca 0.14 -0.22 -0.26 0.00 -1.01 0.00 0.00 57.07 55.72 1n9y s TYR 54 Cb -0.12 -0.07 -0.09 0.00 -0.11 0.00 0.00 41.96 41.57 1n9y s TYR 54 CO 0.04 -0.30 1.05 0.08 -1.11 0.00 0.00 175.55 175.30 1n9y s VAL 55 N -1.64 3.72 0.15 0.71 1.01 -1.26 0.22 120.40 123.31 1n9y s VAL 55 Ca -0.13 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.37 1n9y s VAL 55 Cb -0.06 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1n9y s VAL 55 CO 0.00 0.15 -0.13 -1.48 0.00 0.00 0.00 175.10 173.64 1n9y s LEU 56 N -2.17 2.49 -0.21 3.92 0.05 -0.60 -4.41 118.68 117.76 1n9y s LEU 56 Ca 0.52 -0.94 -0.19 0.00 0.05 0.00 0.00 54.13 53.57 1n9y s LEU 56 Cb -0.25 -0.50 0.06 0.00 -2.05 0.00 0.00 46.19 43.45 1n9y s LEU 56 CO 0.31 -0.22 0.56 -0.89 -0.55 0.00 0.00 176.35 175.56 1n9y s THR 57 N -2.82 -0.00 0.07 5.48 2.01 -1.13 -2.50 115.64 116.75 1n9y s THR 57 Ca 0.15 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 1n9y s THR 57 Cb -0.01 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.73 1n9y s THR 57 CO 0.03 0.00 0.17 0.61 -0.69 0.00 0.00 174.62 174.74 1n9y n GLY 58 N 2.86 1.64 3.13 4.40 0.00 0.43 -1.75 105.19 115.90 1n9y n GLY 58 Ca -0.14 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1n9y n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n9y s ARG 59 N -2.02 0.72 0.07 1.61 1.81 -0.38 -0.78 118.95 119.98 1n9y s ARG 59 Ca 0.03 -1.10 -0.05 0.00 -1.72 0.00 0.00 55.73 52.90 1n9y s ARG 59 Cb -0.01 -0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.21 1n9y s ARG 59 CO 0.02 0.01 0.07 1.52 -0.68 0.00 0.00 175.30 176.25 1n9y s TYR 60 N -2.69 0.34 -0.41 -0.53 1.13 -0.61 -1.23 117.35 113.35 1n9y s TYR 60 Ca 0.03 -0.83 -0.29 0.00 -1.41 0.00 0.00 57.07 54.57 1n9y s TYR 60 Cb -0.01 -0.23 0.02 0.00 -1.10 0.00 0.00 41.96 40.63 1n9y s TYR 60 CO -0.03 -0.45 1.24 0.34 -2.51 0.00 0.00 175.55 174.14 1n9y s ASP 61 N -2.87 6.58 0.00 -0.18 2.15 -0.46 -4.68 116.67 117.21 1n9y s ASP 61 Ca 0.06 0.76 0.29 0.00 0.43 0.00 0.00 52.55 54.09 1n9y s ASP 61 Cb 0.06 -2.54 1.27 0.00 -0.30 0.00 0.00 42.92 41.41 1n9y s ASP 61 CO -0.10 -1.24 1.88 -1.54 -0.17 0.00 0.00 175.17 174.00 1n9y n SER 62 N 8.00 0.49 -3.10 -0.34 3.41 -1.26 -4.06 113.62 116.76 1n9y n SER 62 Ca 0.14 -0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 57.87 1n9y n SER 62 Cb 0.48 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1n9y n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n9y n ALA 63 N -0.90 3.24 -0.70 7.33 0.00 -1.26 -5.05 120.51 123.17 1n9y n ALA 63 Ca 0.15 -4.01 -0.30 0.00 0.00 0.00 0.00 53.44 49.28 1n9y n ALA 63 Cb 0.27 -0.84 0.18 0.00 0.00 0.00 0.00 19.45 19.06 1n9y n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n9y s PRO 64 N -2.81 0.64 1.03 0.00 0.04 -1.26 -4.95 135.00 127.68 1n9y s PRO 64 Ca 0.44 1.35 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1n9y s PRO 64 Cb 0.30 -1.70 0.21 0.00 0.04 0.00 0.00 34.50 33.35 1n9y s PRO 64 CO -0.10 -2.83 1.09 0.00 0.04 0.00 0.00 177.00 175.20 1n9y s ALA 65 N -2.63 0.59 -0.32 8.56 0.00 -1.26 -4.95 121.76 121.76 1n9y s ALA 65 Ca 0.67 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1n9y s ALA 65 Cb -0.23 -3.37 0.46 0.00 0.00 0.00 0.00 23.12 19.98 1n9y s ALA 65 CO 0.59 -3.27 1.31 0.25 0.00 0.00 0.00 175.76 174.65 1n9y n THR 66 N -4.56 2.60 -0.67 0.00 -2.24 -1.26 -4.61 114.28 103.54 1n9y n THR 66 Ca 0.08 -3.77 0.08 0.00 -2.27 0.00 0.00 64.05 58.17 1n9y n THR 66 Cb 0.53 -0.91 0.27 0.00 -2.10 0.00 0.00 70.33 68.12 1n9y n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n9y n ASP 67 N -0.84 4.06 0.00 3.42 5.75 -1.26 -4.94 116.55 122.74 1n9y n ASP 67 Ca 0.41 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1n9y n ASP 67 Cb 0.90 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1n9y n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9y n GLY 68 N 0.31 0.46 3.77 6.12 0.00 -1.26 -5.07 105.19 109.52 1n9y n GLY 68 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1n9y n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n9y s SER 69 N -2.52 5.08 0.96 1.61 0.01 -1.26 -5.03 113.70 112.54 1n9y s SER 69 Ca 0.00 1.95 -0.15 0.00 1.31 0.00 0.00 55.95 59.06 1n9y s SER 69 Cb 0.00 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 63.89 1n9y s SER 69 CO 0.00 -1.65 1.31 -0.83 0.41 0.00 0.00 173.24 172.48 1n9y s GLY 70 N -2.74 1.79 -0.39 3.44 0.00 -1.26 -4.84 107.32 103.33 1n9y s GLY 70 Ca 0.66 -1.28 -0.11 0.00 0.00 0.00 0.00 44.72 43.99 1n9y s GLY 70 CO 0.43 -0.50 0.23 -1.59 0.00 0.00 0.00 173.10 171.67 1n9y s THR 71 N -3.86 4.50 0.35 0.90 2.01 -0.11 -4.80 115.64 114.62 1n9y s THR 71 Ca 0.74 -1.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.41 1n9y s THR 71 Cb -0.03 -3.60 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 1n9y s THR 71 CO 0.53 -0.34 1.45 0.00 -0.69 0.00 0.00 174.62 175.56 1n9y s ALA 72 N 1.52 3.57 0.34 7.40 0.00 -1.26 -0.63 121.76 132.70 1n9y s ALA 72 Ca 0.02 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.33 1n9y s ALA 72 Cb -0.21 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.37 1n9y s ALA 72 CO 0.05 -0.93 0.68 -0.48 0.00 0.00 0.00 175.76 175.09 1n9y s LEU 73 N -1.78 0.19 -0.12 0.00 0.05 -0.58 -1.35 118.68 115.09 1n9y s LEU 73 Ca 0.53 -1.09 -0.31 0.00 0.05 0.00 0.00 54.13 53.31 1n9y s LEU 73 Cb -0.45 2.44 0.13 0.00 -2.05 0.00 0.00 46.19 46.26 1n9y s LEU 73 CO 0.58 -1.49 1.05 -0.83 -0.55 0.00 0.00 176.35 175.11 1n9y s GLY 74 N -3.07 -0.32 0.17 -3.48 0.00 -0.37 -1.34 107.32 98.92 1n9y s GLY 74 Ca 0.18 1.61 -0.19 0.00 0.00 0.00 0.00 44.72 46.32 1n9y s GLY 74 CO 0.12 0.65 0.52 0.66 0.00 0.00 0.00 173.10 175.04 1n9y s TRP 75 N -2.19 -0.27 -0.02 1.90 -2.14 -0.42 -1.25 118.94 114.55 1n9y s TRP 75 Ca 0.05 -0.03 0.06 0.00 2.66 0.00 0.00 56.10 58.84 1n9y s TRP 75 Cb -0.01 0.41 -0.02 0.00 -3.10 0.00 0.00 33.47 30.76 1n9y s TRP 75 CO -0.05 -0.85 -0.21 0.99 -2.66 0.00 0.00 176.95 174.18 1n9y s THR 76 N -3.82 1.65 -0.13 0.66 2.01 -0.72 -0.73 115.64 114.57 1n9y s THR 76 Ca 0.05 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1n9y s THR 76 Cb -0.00 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.15 1n9y s THR 76 CO -0.08 0.47 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.47 1n9y s VAL 77 N -0.49 1.60 -0.08 3.82 1.01 -0.35 -2.83 120.40 123.09 1n9y s VAL 77 Ca 0.08 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1n9y s VAL 77 Cb -0.08 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1n9y s VAL 77 CO -0.01 0.46 0.55 0.00 0.00 0.00 0.00 175.10 176.10 1n9y s ALA 78 N 1.12 3.46 -0.92 5.51 0.00 -1.26 -0.87 121.76 128.81 1n9y s ALA 78 Ca -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1n9y s ALA 78 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1n9y s ALA 78 CO -0.05 0.04 2.90 0.91 0.00 0.00 0.00 175.76 179.57 1n9y n TRP 79 N 3.39 1.75 -4.46 0.00 7.02 0.68 -4.78 117.44 121.04 1n9y n TRP 79 Ca -0.06 -2.40 -0.22 0.00 -1.02 0.00 0.00 57.50 53.80 1n9y n TRP 79 Cb 0.51 -1.86 -0.16 0.00 -2.42 0.00 0.00 31.31 27.39 1n9y n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n9y s LYS 80 N 0.08 1.16 0.00 -0.99 2.20 -1.26 -0.72 119.74 120.20 1n9y s LYS 80 Ca 0.62 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1n9y s LYS 80 Cb 0.26 -1.05 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 1n9y s LYS 80 CO -0.09 0.11 0.00 0.27 -0.36 0.00 0.00 175.35 175.27 1n9y n ASN 81 N 3.40 0.10 0.00 1.43 0.23 -0.49 -4.77 115.26 115.16 1n9y n ASN 81 Ca -0.19 -0.85 0.12 0.00 -0.53 0.00 0.00 54.58 53.12 1n9y n ASN 81 Cb 0.53 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.91 1n9y n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n9y n ASN 82 N -2.48 0.00 -0.00 0.53 3.02 -1.26 -3.57 115.26 111.50 1n9y n ASN 82 Ca 0.00 -0.46 0.03 0.00 -0.03 0.00 0.00 54.58 54.12 1n9y n ASN 82 Cb 0.00 -0.12 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 1n9y n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9y n TYR 83 N -1.12 0.00 -3.58 3.10 4.01 -1.26 -5.07 117.16 113.23 1n9y n TYR 83 Ca 0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1n9y n TYR 83 Cb 0.13 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1n9y n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1n9y s ARG 84 N -2.19 1.00 -0.14 -0.72 1.70 -1.23 -5.12 118.95 112.24 1n9y s ARG 84 Ca -0.01 -0.44 -0.04 0.00 -0.47 0.00 0.00 55.73 54.76 1n9y s ARG 84 Cb 0.04 0.41 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 1n9y s ARG 84 CO 0.23 -0.44 0.25 1.21 -1.08 0.00 0.00 175.30 175.47 1n9y s ASN 85 N -2.66 0.57 0.00 -2.89 3.84 -1.26 -1.39 114.94 111.15 1n9y s ASN 85 Ca 0.07 0.40 0.24 0.00 0.21 0.00 0.00 52.86 53.79 1n9y s ASN 85 Cb -0.01 0.62 0.70 0.00 -0.55 0.00 0.00 41.25 42.01 1n9y s ASN 85 CO -0.05 -0.26 1.54 0.00 -2.79 0.00 0.00 177.10 175.54 1n9y n ALA 86 N 5.34 2.51 -3.83 1.71 0.00 0.10 -4.96 120.51 121.38 1n9y n ALA 86 Ca -0.06 -0.60 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 1n9y n ALA 86 Cb 0.50 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.92 1n9y n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n9y n HIS 87 N 0.64 -1.77 -3.73 0.00 -0.00 -1.26 -4.87 115.22 104.23 1n9y n HIS 87 Ca 0.17 0.76 -0.12 0.00 -0.00 0.00 0.00 57.72 58.54 1n9y n HIS 87 Cb 0.43 -3.99 -0.07 0.00 -0.00 0.00 0.00 29.99 26.36 1n9y n HIS 87 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1n9y s SER 88 N -4.31 -0.16 -0.05 0.41 0.01 -1.26 -1.11 113.70 107.22 1n9y s SER 88 Ca 0.03 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 1n9y s SER 88 Cb -0.01 0.38 0.01 0.00 0.21 0.00 0.00 66.02 66.61 1n9y s SER 88 CO 0.85 -0.64 0.14 0.00 0.41 0.00 0.00 173.24 174.01 1n9y s ALA 89 N -2.61 -0.35 -0.12 1.44 0.00 -0.20 -0.23 121.76 119.70 1n9y s ALA 89 Ca -0.05 0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1n9y s ALA 89 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1n9y s ALA 89 CO -0.04 -0.07 -0.04 0.99 0.00 0.00 0.00 175.76 176.60 1n9y s THR 90 N 0.05 3.90 -0.12 0.00 2.01 -0.05 -0.25 115.64 121.18 1n9y s THR 90 Ca -0.00 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1n9y s THR 90 Cb -0.01 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1n9y s THR 90 CO 0.00 0.55 -0.11 0.42 -0.69 0.00 0.00 174.62 174.79 1n9y s THR 91 N -0.21 3.27 -0.20 -0.82 -4.23 -0.47 -1.21 115.64 111.77 1n9y s THR 91 Ca 0.04 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.89 1n9y s THR 91 Cb -0.13 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1n9y s THR 91 CO 0.02 0.53 0.02 0.26 -0.54 0.00 0.00 174.62 174.92 1n9y s TRP 92 N 0.11 3.09 -0.10 3.99 0.51 0.09 -1.24 118.94 125.39 1n9y s TRP 92 Ca -0.05 -0.33 0.04 0.00 -2.12 0.00 0.00 56.10 53.64 1n9y s TRP 92 Cb -0.14 -2.11 -0.00 0.00 -0.81 0.00 0.00 33.47 30.41 1n9y s TRP 92 CO 0.04 -0.17 -0.23 0.45 -0.51 0.00 0.00 176.95 176.53 1n9y s SER 93 N 0.96 3.20 0.00 2.95 0.15 0.47 -1.30 113.70 120.14 1n9y s SER 93 Ca 0.02 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1n9y s SER 93 Cb -0.14 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1n9y s SER 93 CO 0.02 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1n9y n GLY 94 N 3.49 1.29 3.26 9.45 0.00 -0.45 -1.36 105.19 120.88 1n9y n GLY 94 Ca -0.19 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1n9y n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n9y s GLN 95 N 1.81 0.72 -0.04 1.61 -2.07 -0.88 -1.53 119.66 119.29 1n9y s GLN 95 Ca 0.00 -0.25 -0.19 0.00 -1.82 0.00 0.00 55.36 53.11 1n9y s GLN 95 Cb 0.00 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1n9y s GLN 95 CO 0.00 -0.21 0.52 -0.47 -1.32 0.00 0.00 175.29 173.81 1n9y s TYR 96 N -1.62 3.63 -0.22 9.60 5.04 0.20 -2.16 117.35 131.82 1n9y s TYR 96 Ca -0.11 1.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1n9y s TYR 96 Cb -0.04 -2.53 0.06 0.00 0.35 0.00 0.00 41.96 39.80 1n9y s TYR 96 CO 0.03 0.34 -0.05 0.08 -1.34 0.00 0.00 175.55 174.61 1n9y s VAL 97 N -0.08 1.40 0.48 3.14 1.01 -0.46 -0.94 120.40 124.96 1n9y s VAL 97 Ca 0.28 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1n9y s VAL 97 Cb -0.17 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.64 1n9y s VAL 97 CO 0.14 -0.08 0.65 0.61 0.00 0.00 0.00 175.10 176.42 1n9y n GLY 98 N 4.73 -1.05 0.00 4.51 0.00 -1.26 -1.75 105.19 110.36 1n9y n GLY 98 Ca -0.12 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1n9y n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9y n GLY 99 N 0.65 0.46 0.41 -0.02 0.00 -1.26 -4.65 105.19 100.78 1n9y n GLY 99 Ca 0.08 -2.29 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 1n9y n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9y h ALA 100 N 0.00 -0.94 -1.53 4.61 0.00 -2.06 -3.15 119.26 116.19 1n9y h ALA 100 Ca 0.00 -0.18 -0.77 0.00 0.00 0.00 0.00 54.91 53.96 1n9y h ALA 100 Cb 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 17.79 18.08 1n9y h ALA 100 CO 0.00 -1.05 1.39 -0.85 0.00 0.00 0.00 179.25 178.74 1n9y n GLU 101 N -5.51 3.77 -1.75 0.00 -0.00 -1.26 -5.02 120.64 110.87 1n9y n GLU 101 Ca -0.12 -3.96 -0.34 0.00 -0.00 0.00 0.00 57.16 52.73 1n9y n GLU 101 Cb 0.40 -2.80 0.05 0.00 -0.00 0.00 0.00 31.44 29.09 1n9y n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n9y s ALA 102 N -0.35 2.41 0.13 -1.84 0.00 -1.19 -4.92 121.76 116.00 1n9y s ALA 102 Ca 0.37 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.83 1n9y s ALA 102 Cb 0.03 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1n9y s ALA 102 CO 0.02 -1.37 0.54 -0.98 0.00 0.00 0.00 175.76 173.98 1n9y s ARG 103 N -3.87 1.20 -0.21 0.00 1.04 -0.72 -4.31 118.95 112.07 1n9y s ARG 103 Ca 0.71 -0.49 0.01 0.00 -1.04 0.00 0.00 55.73 54.92 1n9y s ARG 103 Cb -0.24 0.55 0.04 0.00 -2.04 0.00 0.00 34.95 33.26 1n9y s ARG 103 CO 0.40 -0.50 -0.11 0.42 -0.04 0.00 0.00 175.30 175.47 1n9y s ILE 104 N -3.57 1.75 -0.26 4.99 1.01 -0.38 -1.35 121.20 123.39 1n9y s ILE 104 Ca 0.01 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 1n9y s ILE 104 Cb -0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1n9y s ILE 104 CO -0.11 0.15 0.33 0.20 0.00 0.00 0.00 174.94 175.51 1n9y s ASN 105 N 1.34 6.23 0.15 3.58 0.01 -0.92 -1.19 114.94 124.15 1n9y s ASN 105 Ca -0.02 0.25 0.04 0.00 -0.71 0.00 0.00 52.86 52.42 1n9y s ASN 105 Cb -0.17 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 1n9y s ASN 105 CO -0.08 -0.12 -0.09 0.42 -1.51 0.00 0.00 177.10 175.72 1n9y s THR 106 N 1.81 1.13 0.04 1.60 -4.23 -0.23 -2.07 115.64 113.69 1n9y s THR 106 Ca 0.13 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 1n9y s THR 106 Cb -0.15 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 1n9y s THR 106 CO 0.09 -0.71 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.20 1n9y s GLN 107 N -3.77 2.10 0.07 3.99 -0.21 -0.46 -2.13 119.66 119.25 1n9y s GLN 107 Ca 0.18 -0.97 0.03 0.00 0.02 0.00 0.00 55.36 54.62 1n9y s GLN 107 Cb 0.03 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 1n9y s GLN 107 CO 0.01 0.54 -0.10 1.67 -2.12 0.00 0.00 175.29 175.29 1n9y s TRP 108 N -0.94 0.97 -0.14 0.91 1.48 -0.09 -0.39 118.94 120.73 1n9y s TRP 108 Ca 0.15 -0.58 0.02 0.00 -1.06 0.00 0.00 56.10 54.63 1n9y s TRP 108 Cb -0.11 -0.55 0.01 0.00 -1.16 0.00 0.00 33.47 31.67 1n9y s TRP 108 CO 0.06 -0.02 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.21 1n9y s LEU 109 N -2.06 2.02 -0.33 -4.66 1.43 -0.38 -1.94 118.68 112.77 1n9y s LEU 109 Ca -0.01 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1n9y s LEU 109 Cb -0.06 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.83 1n9y s LEU 109 CO 0.00 0.05 0.09 -0.22 0.23 0.00 0.00 176.35 176.51 1n9y s LEU 110 N 0.94 4.22 -0.18 1.79 2.96 -0.06 -1.37 118.68 126.98 1n9y s LEU 110 Ca -0.05 -1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 52.69 1n9y s LEU 110 Cb -0.15 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1n9y s LEU 110 CO -0.04 -0.30 0.05 -0.89 -1.32 0.00 0.00 176.35 173.85 1n9y s THR 111 N 1.40 4.69 -0.01 3.68 2.01 0.65 -0.70 115.64 127.37 1n9y s THR 111 Ca -0.01 -0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 1n9y s THR 111 Cb -0.19 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1n9y s THR 111 CO 0.02 0.47 0.26 -0.44 -0.69 0.00 0.00 174.62 174.24 1n9y s SER 112 N 0.35 6.50 0.13 3.53 0.01 0.32 -1.03 113.70 123.51 1n9y s SER 112 Ca 0.02 0.57 -0.31 0.00 1.31 0.00 0.00 55.95 57.54 1n9y s SER 112 Cb -0.12 -2.10 -0.09 0.00 0.21 0.00 0.00 66.02 63.92 1n9y s SER 112 CO 0.00 0.28 1.51 -0.83 0.41 0.00 0.00 173.24 174.61 1n9y s GLY 113 N -1.58 1.71 0.10 3.44 0.00 -0.27 -4.77 107.32 105.94 1n9y s GLY 113 Ca 0.26 1.24 -0.02 0.00 0.00 0.00 0.00 44.72 46.19 1n9y s GLY 113 CO 0.14 2.57 0.06 -0.51 0.00 0.00 0.00 173.10 175.37 1n9y s THR 114 N 1.42 0.14 0.79 0.90 -4.23 -1.26 -5.00 115.64 108.39 1n9y s THR 114 Ca 0.69 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 1n9y s THR 114 Cb -0.40 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 71.71 1n9y s THR 114 CO 0.31 -0.64 1.11 0.42 -0.54 0.00 0.00 174.62 175.28 1n9y s THR 115 N -3.98 2.90 0.41 3.99 -4.23 -1.26 -4.87 115.64 108.60 1n9y s THR 115 Ca 0.16 0.29 0.13 0.00 -1.18 0.00 0.00 61.69 61.10 1n9y s THR 115 Cb 0.07 -3.16 0.14 0.00 1.34 0.00 0.00 72.50 70.90 1n9y s THR 115 CO -0.03 -0.38 1.92 -0.33 -0.54 0.00 0.00 174.62 175.25 1n9y h GLU 116 N -1.00 0.01 0.00 3.99 3.07 -2.01 -1.57 114.58 117.07 1n9y h GLU 116 Ca -0.47 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 1n9y h GLU 116 Cb 1.28 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1n9y h GLU 116 CO 0.62 0.27 -0.04 0.00 -1.40 0.00 0.00 179.01 178.47 1n9y h ALA 117 N 1.73 1.61 -0.39 3.43 0.00 -2.07 -1.06 119.26 122.52 1n9y h ALA 117 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n9y h ALA 117 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1n9y h ALA 117 CO 0.03 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1n9y n ASN 118 N -4.02 3.07 0.24 0.00 3.02 -0.67 -4.60 115.26 112.30 1n9y n ASN 118 Ca -0.03 -1.93 0.09 0.00 -0.03 0.00 0.00 54.58 52.68 1n9y n ASN 118 Cb 0.12 -0.26 0.58 0.00 -0.61 0.00 0.00 39.78 39.62 1n9y n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n9y h ALA 119 N 2.79 1.37 -0.29 5.41 0.00 -0.39 -0.31 119.26 127.85 1n9y h ALA 119 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1n9y h ALA 119 Cb 0.78 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1n9y h ALA 119 CO 0.00 0.24 0.19 0.11 0.00 0.00 0.00 179.25 179.80 1n9y h TRP 120 N 0.00 0.19 -0.76 0.00 5.08 -1.81 -1.98 115.95 116.67 1n9y h TRP 120 Ca -0.00 0.00 -0.41 0.00 1.08 0.00 0.00 58.89 59.56 1n9y h TRP 120 Cb 0.43 -0.06 -0.24 0.00 -3.00 0.00 0.00 29.16 26.29 1n9y h TRP 120 CO 0.00 0.11 0.37 0.36 -1.28 0.00 0.00 178.44 178.00 1n9y n LYS 121 N -4.49 2.17 0.12 0.12 2.85 -0.13 -4.65 118.16 114.15 1n9y n LYS 121 Ca 0.03 -3.13 0.02 0.00 -1.05 0.00 0.00 58.31 54.18 1n9y n LYS 121 Cb 0.22 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.54 1n9y n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n9y h SER 122 N 1.11 0.00 -3.21 -5.58 4.64 -1.37 -3.46 113.55 105.67 1n9y h SER 122 Ca 0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.20 1n9y h SER 122 Cb 2.26 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 64.00 1n9y h SER 122 CO 0.88 0.51 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.62 1n9y s THR 123 N -2.96 1.57 0.15 2.95 2.01 -1.26 -0.52 115.64 117.58 1n9y s THR 123 Ca 0.03 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1n9y s THR 123 Cb 0.08 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1n9y s THR 123 CO 0.76 0.46 0.34 -0.76 -0.69 0.00 0.00 174.62 174.72 1n9y s LEU 124 N 1.13 4.28 0.04 4.42 1.43 0.13 -4.93 118.68 125.17 1n9y s LEU 124 Ca -0.03 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1n9y s LEU 124 Cb -0.14 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 1n9y s LEU 124 CO -0.05 0.04 -0.13 0.54 0.23 0.00 0.00 176.35 176.99 1n9y s VAL 125 N -1.71 1.01 0.00 -1.59 0.11 -1.26 -0.88 120.40 116.08 1n9y s VAL 125 Ca 0.38 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1n9y s VAL 125 Cb -0.12 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1n9y s VAL 125 CO 0.27 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1n9y n GLY 126 N 1.94 2.45 3.16 6.54 0.00 -0.82 -5.01 105.19 113.45 1n9y n GLY 126 Ca -0.18 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1n9y n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n9y s HIS 127 N -3.85 -0.17 0.02 1.61 -3.43 -1.26 -0.91 115.29 107.29 1n9y s HIS 127 Ca 0.00 0.35 0.02 0.00 -0.80 0.00 0.00 55.06 54.63 1n9y s HIS 127 Cb 0.00 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.19 1n9y s HIS 127 CO 0.00 -0.25 -0.07 -0.51 -2.00 0.00 0.00 174.74 171.91 1n9y s ASP 128 N -0.67 0.79 -0.08 7.38 1.01 -0.91 -4.96 116.67 119.23 1n9y s ASP 128 Ca -0.08 -0.34 0.03 0.00 0.71 0.00 0.00 52.55 52.88 1n9y s ASP 128 Cb -0.04 -0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.87 1n9y s ASP 128 CO 0.02 -0.07 -0.19 -0.89 0.21 0.00 0.00 175.17 174.24 1n9y s THR 129 N -0.78 1.68 -0.04 -1.27 2.01 -1.26 -1.07 115.64 114.91 1n9y s THR 129 Ca -0.04 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.18 1n9y s THR 129 Cb -0.06 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1n9y s THR 129 CO 0.00 0.48 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.97 1n9y s PHE 130 N 0.43 2.89 0.22 4.92 0.08 -0.33 -3.27 117.98 122.92 1n9y s PHE 130 Ca -0.16 -0.02 0.03 0.00 0.12 0.00 0.00 56.93 56.90 1n9y s PHE 130 Cb -0.17 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1n9y s PHE 130 CO 0.07 0.33 -0.01 0.95 -0.10 0.00 0.00 175.22 176.46 1n9y s THR 131 N -0.87 0.98 -0.77 0.64 -4.23 -0.59 -1.25 115.64 109.54 1n9y s THR 131 Ca 0.14 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 58.89 1n9y s THR 131 Cb -0.11 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.74 1n9y s THR 131 CO 0.03 -0.38 1.80 0.29 -0.54 0.00 0.00 174.62 175.83 1n9y n LYS 132 N -0.37 0.22 -4.48 3.99 5.02 -1.26 -0.45 118.16 120.82 1n9y n LYS 132 Ca -0.06 0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 1n9y n LYS 132 Cb 0.64 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1n9y n LYS 132 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1n9y s VAL 133 N -3.09 1.81 -2.10 -0.18 -7.23 -1.26 -4.82 120.40 103.54 1n9y s VAL 133 Ca 0.11 -2.13 0.31 0.00 -1.81 0.00 0.00 61.98 58.46 1n9y s VAL 133 Cb 0.13 -2.57 0.84 0.00 0.56 0.00 0.00 36.38 35.35 1n9y s VAL 133 CO 0.58 -0.23 2.14 0.29 -0.31 0.00 0.00 175.10 177.57