#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y13 n SER 12 N 0.00 0.90 -4.77 1.20 3.41 -1.26 -4.95 113.62 108.15 1y13 n SER 12 Ca 0.00 -0.91 -0.35 0.00 -0.26 0.00 0.00 58.87 57.35 1y13 n SER 12 Cb 0.00 1.06 0.01 0.00 -0.26 0.00 0.00 64.21 65.02 1y13 n SER 12 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y13 s SER 13 N -3.00 5.63 0.05 4.04 1.04 -1.26 -4.59 113.70 115.61 1y13 s SER 13 Ca 0.07 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.64 1y13 s SER 13 Cb 0.15 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1y13 s SER 13 CO 0.83 -1.28 -0.05 0.00 0.98 0.00 0.00 173.24 173.73 1y13 s ALA 14 N -1.87 0.47 0.06 5.32 0.00 -0.24 -4.98 121.76 120.52 1y13 s ALA 14 Ca 0.72 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.82 1y13 s ALA 14 Cb -0.23 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1y13 s ALA 14 CO 0.29 -0.21 -0.19 -1.21 0.00 0.00 0.00 175.76 174.45 1y13 s GLU 15 N -2.61 1.96 0.11 0.00 2.02 -1.26 -1.09 118.70 117.83 1y13 s GLU 15 Ca -0.03 -1.05 0.09 0.00 0.02 0.00 0.00 54.97 54.00 1y13 s GLU 15 Cb -0.02 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 1y13 s GLU 15 CO -0.04 0.52 -0.23 0.14 0.02 0.00 0.00 175.26 175.67 1y13 s VAL 16 N -0.98 1.93 -0.01 2.63 -7.23 -0.75 -5.00 120.40 110.99 1y13 s VAL 16 Ca 0.15 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1y13 s VAL 16 Cb -0.10 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1y13 s VAL 16 CO 0.06 0.00 0.06 -0.55 -0.31 0.00 0.00 175.10 174.37 1y13 s SER 17 N -1.96 -0.00 -0.03 4.85 0.15 -1.26 -1.59 113.70 113.86 1y13 s SER 17 Ca 0.09 -0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.76 1y13 s SER 17 Cb -0.10 0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1y13 s SER 17 CO 0.05 -0.12 -0.13 0.68 1.20 0.00 0.00 173.24 174.92 1y13 s VAL 18 N -0.42 1.11 -0.08 4.45 -7.23 -0.22 -5.01 120.40 112.99 1y13 s VAL 18 Ca -0.05 -0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 1y13 s VAL 18 Cb -0.03 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 35.98 1y13 s VAL 18 CO 0.00 0.33 0.32 -1.83 -0.31 0.00 0.00 175.10 173.61 1y13 s GLU 19 N 0.05 0.49 -0.23 4.82 -1.05 -1.26 -1.85 118.70 119.67 1y13 s GLU 19 Ca -0.02 0.22 -0.27 0.00 -0.15 0.00 0.00 54.97 54.76 1y13 s GLU 19 Cb -0.09 0.23 0.11 0.00 -0.44 0.00 0.00 34.13 33.93 1y13 s GLU 19 CO 0.01 -0.09 0.93 0.45 0.95 0.00 0.00 175.26 177.50 1y13 s SER 20 N -0.36 -0.51 0.65 0.83 0.15 -1.26 -4.98 113.70 108.21 1y13 s SER 20 Ca -0.05 0.86 0.26 0.00 0.70 0.00 0.00 55.95 57.72 1y13 s SER 20 Cb -0.03 0.83 1.39 0.00 -1.71 0.00 0.00 66.02 66.50 1y13 s SER 20 CO 0.02 -0.26 1.79 -0.65 1.20 0.00 0.00 173.24 175.34 1y13 h PRO 21 N 3.87 0.00 0.00 5.44 0.11 -2.01 -0.11 132.00 139.29 1y13 h PRO 21 Ca -0.26 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 1y13 h PRO 21 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1y13 h PRO 21 CO 0.17 0.00 -0.43 1.03 -0.21 0.00 0.00 178.00 178.56 1y13 h SER 22 N 0.00 0.00 -0.51 -2.05 0.87 -1.97 -3.34 113.55 106.54 1y13 h SER 22 Ca 0.04 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.88 1y13 h SER 22 Cb 0.96 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.84 1y13 h SER 22 CO -0.00 0.43 2.77 0.49 -0.53 0.00 0.00 176.83 179.99 1y13 n PHE 23 N -3.43 3.24 -4.18 2.24 3.72 -0.05 -4.92 117.46 114.07 1y13 n PHE 23 Ca 0.00 -2.91 -0.16 0.00 -0.05 0.00 0.00 57.45 54.33 1y13 n PHE 23 Cb 0.59 -2.32 -0.11 0.00 -0.94 0.00 0.00 39.48 36.70 1y13 n PHE 23 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1y13 s SER 24 N 2.24 1.55 -0.05 4.37 0.01 -1.26 -0.73 113.70 119.84 1y13 s SER 24 Ca 0.46 -0.75 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1y13 s SER 24 Cb 0.13 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.36 1y13 s SER 24 CO -0.06 -0.20 -0.05 0.72 0.41 0.00 0.00 173.24 174.06 1y13 s PHE 25 N -2.07 0.82 -0.41 2.43 -0.71 -0.49 -4.65 117.98 112.91 1y13 s PHE 25 Ca 0.03 -0.24 -0.15 0.00 -1.04 0.00 0.00 56.93 55.53 1y13 s PHE 25 Cb -0.05 -0.70 0.03 0.00 -1.21 0.00 0.00 43.02 41.08 1y13 s PHE 25 CO 0.01 -0.20 0.30 -0.80 -1.34 0.00 0.00 175.22 173.20 1y13 s ASN 26 N 0.86 6.09 0.11 1.98 0.01 -1.26 -0.91 114.94 121.81 1y13 s ASN 26 Ca -0.12 -0.95 0.03 0.00 -0.71 0.00 0.00 52.86 51.11 1y13 s ASN 26 Cb -0.15 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1y13 s ASN 26 CO 0.01 -0.47 -0.09 0.00 -1.51 0.00 0.00 177.10 175.04 1y13 s ALA 28 N -2.85 3.78 0.17 0.00 0.00 -0.59 -1.06 121.76 121.21 1y13 s ALA 28 Ca 0.09 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 1y13 s ALA 28 Cb -0.00 -2.09 0.07 0.00 0.00 0.00 0.00 23.12 21.10 1y13 s ALA 28 CO -0.01 0.45 0.99 -3.38 0.00 0.00 0.00 175.76 173.81 1y13 s HIS 29 N -1.87 -0.05 -0.04 0.00 -3.43 -0.22 -1.04 115.29 108.64 1y13 s HIS 29 Ca 0.40 -0.30 -0.15 0.00 -0.80 0.00 0.00 55.06 54.22 1y13 s HIS 29 Cb -0.11 0.67 0.03 0.00 -1.43 0.00 0.00 32.58 31.73 1y13 s HIS 29 CO 0.28 -0.87 0.33 -0.59 -2.00 0.00 0.00 174.74 171.89 1y13 s PHE 30 N -2.86 -0.25 0.00 0.38 -0.71 -1.26 -2.04 117.98 111.25 1y13 s PHE 30 Ca 0.15 0.46 -0.22 0.00 -1.04 0.00 0.00 56.93 56.28 1y13 s PHE 30 Cb -0.02 0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.86 1y13 s PHE 30 CO 0.03 -0.35 0.65 0.42 -1.34 0.00 0.00 175.22 174.63 1y13 s ILE 31 N -0.97 4.87 -0.04 -4.49 1.01 -1.26 -4.65 121.20 115.67 1y13 s ILE 31 Ca -0.10 1.37 -0.01 0.00 0.00 0.00 0.00 60.65 61.91 1y13 s ILE 31 Cb -0.04 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.46 1y13 s ILE 31 CO 0.04 0.39 0.03 0.00 0.00 0.00 0.00 174.94 175.39 1y13 s ALA 32 N -0.08 0.27 0.18 9.38 0.00 -1.26 -2.16 121.76 128.09 1y13 s ALA 32 Ca 0.34 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.51 1y13 s ALA 32 Cb -0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1y13 s ALA 32 CO 0.19 -0.27 0.15 2.48 0.00 0.00 0.00 175.76 178.31 1y13 n TYR 33 N 4.66 -0.44 -1.60 0.00 0.18 -0.28 -4.87 117.16 114.81 1y13 n TYR 33 Ca -0.17 -1.48 -0.53 0.00 1.88 0.00 0.00 57.90 57.61 1y13 n TYR 33 Cb 0.50 0.16 -0.07 0.00 -0.38 0.00 0.00 39.34 39.55 1y13 n TYR 33 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1y13 n ASN 34 N -2.29 2.50 -0.17 9.48 4.13 -1.26 -1.07 115.26 126.58 1y13 n ASN 34 Ca 0.04 0.80 -0.02 0.00 1.68 0.00 0.00 54.58 57.08 1y13 n ASN 34 Cb 0.32 -1.23 -0.01 0.00 -1.54 0.00 0.00 39.78 37.32 1y13 n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1y13 n GLY 35 N 5.18 0.48 2.92 7.41 0.00 -1.26 -5.00 105.19 114.92 1y13 n GLY 35 Ca 0.32 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1y13 n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y13 s PHE 36 N -1.76 -0.19 -0.03 1.61 5.36 -0.23 -5.14 117.98 117.60 1y13 s PHE 36 Ca 0.00 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.51 1y13 s PHE 36 Cb 0.00 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1y13 s PHE 36 CO 0.00 -0.20 0.06 0.50 -1.46 0.00 0.00 175.22 174.11 1y13 s ARG 37 N 1.47 0.02 0.36 10.12 3.52 -1.26 -1.13 118.95 132.06 1y13 s ARG 37 Ca -0.06 0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 1y13 s ARG 37 Cb -0.12 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.14 1y13 s ARG 37 CO -0.06 -0.09 0.30 -1.83 -0.81 0.00 0.00 175.30 172.80 1y13 s GLU 38 N 0.61 2.64 0.58 5.12 -1.05 -0.92 -5.04 118.70 120.65 1y13 s GLU 38 Ca -0.05 -1.39 -0.15 0.00 -0.15 0.00 0.00 54.97 53.23 1y13 s GLU 38 Cb -0.07 -2.42 -0.04 0.00 -0.44 0.00 0.00 34.13 31.16 1y13 s GLU 38 CO -0.02 0.02 1.04 0.95 0.95 0.00 0.00 175.26 178.20 1y13 s THR 39 N -2.36 4.09 0.28 1.83 -4.23 -1.26 -4.68 115.64 109.30 1y13 s THR 39 Ca 0.42 0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 61.57 1y13 s THR 39 Cb -0.05 -3.51 -0.12 0.00 1.34 0.00 0.00 72.50 70.17 1y13 s THR 39 CO 0.26 -0.63 1.55 -0.11 -0.54 0.00 0.00 174.62 175.16 1y13 n LEU 40 N -2.06 4.08 0.00 4.79 7.94 -1.26 -4.73 117.00 125.75 1y13 n LEU 40 Ca 0.08 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 1y13 n LEU 40 Cb 0.53 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1y13 n LEU 40 CO 0.48 0.01 0.00 0.00 -1.11 0.00 0.00 177.39 176.77 1y13 n HIS 41 N 2.09 -0.16 -3.94 1.96 1.44 -0.87 -5.01 115.22 110.74 1y13 n HIS 41 Ca 0.09 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.72 1y13 n HIS 41 Cb 0.36 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.43 1y13 n HIS 41 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1y13 s GLY 42 N -0.21 0.36 0.04 -1.39 0.00 -1.26 -1.05 107.32 103.81 1y13 s GLY 42 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1y13 s GLY 42 CO 0.00 -0.43 0.25 0.30 0.00 0.00 0.00 173.10 173.21 1y13 s HIS 43 N -3.76 -0.02 -0.54 1.90 3.76 -0.22 -4.98 115.29 111.43 1y13 s HIS 43 Ca 0.18 -0.17 -0.20 0.00 -0.15 0.00 0.00 55.06 54.72 1y13 s HIS 43 Cb -0.03 0.03 0.06 0.00 1.11 0.00 0.00 32.58 33.76 1y13 s HIS 43 CO 0.09 -0.47 0.71 -0.80 -0.85 0.00 0.00 174.74 173.42 1y13 s ASN 44 N -2.11 6.23 0.14 1.40 0.01 -1.26 -1.66 114.94 117.69 1y13 s ASN 44 Ca -0.05 -0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 50.94 1y13 s ASN 44 Cb -0.01 -2.32 -0.08 0.00 0.41 0.00 0.00 41.25 39.25 1y13 s ASN 44 CO -0.04 -1.02 0.75 -0.31 -1.51 0.00 0.00 177.10 174.97 1y13 s TYR 45 N 2.95 3.88 -0.03 2.20 1.51 -0.09 -4.37 117.35 123.40 1y13 s TYR 45 Ca 0.17 1.57 0.05 0.00 -1.01 0.00 0.00 57.07 57.85 1y13 s TYR 45 Cb -0.19 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 1y13 s TYR 45 CO 0.12 0.50 -0.17 1.21 -1.11 0.00 0.00 175.55 176.10 1y13 s ASN 46 N -1.02 2.01 -0.10 2.29 3.84 -0.64 -1.39 114.94 119.92 1y13 s ASN 46 Ca 0.35 -0.32 0.03 0.00 0.21 0.00 0.00 52.86 53.13 1y13 s ASN 46 Cb -0.22 -0.38 -0.01 0.00 -0.55 0.00 0.00 41.25 40.09 1y13 s ASN 46 CO 0.25 0.18 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.85 1y13 s VAL 47 N -0.18 2.44 0.07 -5.21 1.01 0.09 -1.05 120.40 117.57 1y13 s VAL 47 Ca 0.02 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.19 1y13 s VAL 47 Cb -0.09 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1y13 s VAL 47 CO 0.01 0.55 -0.24 -0.94 0.00 0.00 0.00 175.10 174.48 1y13 s SER 48 N 0.20 2.89 -0.06 3.32 1.04 -0.36 -4.47 113.70 116.25 1y13 s SER 48 Ca -0.12 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.73 1y13 s SER 48 Cb -0.16 -0.23 -0.00 0.00 0.10 0.00 0.00 66.02 65.73 1y13 s SER 48 CO 0.07 0.18 -0.19 -0.22 0.98 0.00 0.00 173.24 174.06 1y13 s LEU 49 N -1.49 1.92 -0.03 2.42 2.96 -0.77 -1.24 118.68 122.45 1y13 s LEU 49 Ca 0.10 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1y13 s LEU 49 Cb -0.10 -1.10 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 1y13 s LEU 49 CO 0.03 0.15 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.34 1y13 s LYS 50 N 0.19 1.22 0.05 1.98 2.20 0.11 -1.06 119.74 124.43 1y13 s LYS 50 Ca -0.09 -0.41 0.06 0.00 -0.36 0.00 0.00 55.97 55.17 1y13 s LYS 50 Cb -0.14 -1.11 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 1y13 s LYS 50 CO 0.04 0.17 -0.17 0.14 -0.36 0.00 0.00 175.35 175.17 1y13 s VAL 51 N 0.09 1.37 -0.14 4.02 -7.23 -0.62 -0.67 120.40 117.22 1y13 s VAL 51 Ca -0.02 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 1y13 s VAL 51 Cb -0.09 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 1y13 s VAL 51 CO 0.01 0.07 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.16 1y13 s ARG 52 N -1.23 3.43 0.00 4.82 3.52 -0.32 -1.80 118.95 127.37 1y13 s ARG 52 Ca 0.04 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 1y13 s ARG 52 Cb -0.08 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1y13 s ARG 52 CO 0.02 0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.09 1y13 n GLY 53 N 3.68 4.05 3.05 8.12 0.00 -0.25 -1.85 105.19 121.99 1y13 n GLY 53 Ca -0.18 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1y13 n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y13 s TYR 54 N 0.72 0.57 -0.09 1.61 2.02 -1.26 -1.08 117.35 119.85 1y13 s TYR 54 Ca 0.00 -0.60 -0.29 0.00 -0.37 0.00 0.00 57.07 55.81 1y13 s TYR 54 Cb 0.00 -0.36 -0.06 0.00 -0.40 0.00 0.00 41.96 41.14 1y13 s TYR 54 CO 0.00 -0.14 1.85 0.08 -1.57 0.00 0.00 175.55 175.77 1y13 s VAL 55 N -1.84 3.31 0.61 0.71 1.01 -1.26 -3.95 120.40 118.98 1y13 s VAL 55 Ca -0.08 0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1y13 s VAL 55 Cb -0.07 -3.28 0.12 0.00 0.00 0.00 0.00 36.38 33.15 1y13 s VAL 55 CO -0.01 -0.08 0.84 0.54 0.00 0.00 0.00 175.10 176.38 1y13 n ARG 56 N 7.67 -0.07 0.00 2.72 5.12 0.10 -4.89 116.66 127.31 1y13 n ARG 56 Ca 0.21 -2.18 0.07 0.00 -1.93 0.00 0.00 57.85 54.02 1y13 n ARG 56 Cb 0.43 -0.59 0.33 0.00 -1.16 0.00 0.00 32.46 31.47 1y13 n ARG 56 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1y13 n ASP 57 N -2.99 0.00 -0.38 0.55 5.68 -1.26 -0.99 116.55 117.17 1y13 n ASP 57 Ca 0.13 0.25 0.13 0.00 -0.50 0.00 0.00 54.79 54.80 1y13 n ASP 57 Cb 0.48 -0.37 0.30 0.00 -1.14 0.00 0.00 41.12 40.39 1y13 n ASP 57 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1y13 n ASP 58 N -1.37 1.44 0.00 -1.12 5.68 -1.26 -4.96 116.55 114.96 1y13 n ASP 58 Ca 0.05 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.15 1y13 n ASP 58 Cb 0.13 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1y13 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y13 n GLY 59 N 1.33 0.62 3.46 6.12 0.00 -0.16 -5.08 105.19 111.48 1y13 n GLY 59 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1y13 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y13 s TYR 60 N -2.32 2.42 0.01 1.61 2.02 -1.26 -4.75 117.35 115.09 1y13 s TYR 60 Ca 0.00 -0.32 -0.25 0.00 -0.37 0.00 0.00 57.07 56.13 1y13 s TYR 60 Cb 0.00 -1.25 -0.18 0.00 -0.40 0.00 0.00 41.96 40.13 1y13 s TYR 60 CO 0.00 0.43 1.34 0.28 -1.57 0.00 0.00 175.55 176.03 1y13 h VAL 61 N 3.40 1.05 -1.95 0.71 2.07 -1.93 0.31 116.25 119.91 1y13 h VAL 61 Ca -0.49 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1y13 h VAL 61 Cb 1.19 1.51 -0.20 0.00 -1.52 0.00 0.00 31.29 32.27 1y13 h VAL 61 CO 0.46 0.17 0.27 -0.51 0.02 0.00 0.00 177.57 177.98 1y13 s ILE 62 N -4.76 0.00 0.20 4.57 2.07 -1.26 -4.73 121.20 117.29 1y13 s ILE 62 Ca -0.15 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 58.77 1y13 s ILE 62 Cb 0.03 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.49 1y13 s ILE 62 CO 0.62 0.00 1.65 -0.67 -1.91 0.00 0.00 174.94 174.63 1y13 n ASP 63 N 0.80 3.62 -0.35 4.50 -0.08 -1.26 -4.88 116.55 118.90 1y13 n ASP 63 Ca -0.17 1.08 0.08 0.00 -1.51 0.00 0.00 54.79 54.27 1y13 n ASP 63 Cb 0.58 -1.52 0.25 0.00 2.34 0.00 0.00 41.12 42.76 1y13 n ASP 63 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1y13 h PHE 64 N 6.18 1.08 -0.26 -0.67 0.04 -2.00 -2.49 116.94 118.81 1y13 h PHE 64 Ca -0.44 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.36 1y13 h PHE 64 Cb 1.22 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 1y13 h PHE 64 CO 0.63 0.38 0.15 0.66 -0.60 0.00 0.00 178.31 179.52 1y13 h SER 65 N 0.90 0.31 -0.27 2.17 4.64 -1.99 -1.09 113.55 118.22 1y13 h SER 65 Ca 0.50 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.76 1y13 h SER 65 Cb 0.57 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1y13 h SER 65 CO -0.30 0.25 -0.01 0.40 -0.87 0.00 0.00 176.83 176.30 1y13 h ILE 66 N 0.36 1.26 -0.42 0.95 2.04 -1.83 -1.50 117.51 118.37 1y13 h ILE 66 Ca 0.10 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1y13 h ILE 66 Cb 0.00 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1y13 h ILE 66 CO -0.02 0.30 0.23 -0.07 0.00 0.00 0.00 178.15 178.60 1y13 h LEU 67 N 0.27 0.52 -0.44 1.44 3.38 -1.35 -2.00 115.31 117.12 1y13 h LEU 67 Ca 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1y13 h LEU 67 Cb 0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1y13 h LEU 67 CO 0.02 0.46 0.13 0.11 0.09 0.00 0.00 178.44 179.24 1y13 h LYS 68 N 0.54 0.69 -0.70 1.13 1.57 -1.22 -1.65 116.57 116.93 1y13 h LYS 68 Ca 0.15 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1y13 h LYS 68 Cb 0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1y13 h LYS 68 CO -0.02 0.68 0.44 1.49 -0.57 0.00 0.00 179.45 181.46 1y13 h GLU 69 N 0.58 0.83 -0.07 3.15 4.81 -1.14 -1.27 114.58 121.46 1y13 h GLU 69 Ca 0.14 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.09 1y13 h GLU 69 Cb 0.28 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1y13 h GLU 69 CO -0.00 0.55 -0.87 0.87 -0.73 0.00 0.00 179.01 178.82 1y13 h LYS 70 N 0.85 0.62 -0.13 1.92 1.79 -1.23 -2.47 116.57 117.92 1y13 h LYS 70 Ca 0.29 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1y13 h LYS 70 Cb 0.04 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1y13 h LYS 70 CO -0.12 1.19 0.06 0.28 -1.08 0.00 0.00 179.45 179.78 1y13 h VAL 71 N 0.39 1.14 -0.97 0.50 2.07 -1.17 -2.55 116.25 115.66 1y13 h VAL 71 Ca -0.07 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1y13 h VAL 71 Cb 1.50 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 1y13 h VAL 71 CO 0.17 0.13 0.63 0.11 0.02 0.00 0.00 177.57 178.62 1y13 h LYS 72 N 0.06 1.19 0.08 1.57 1.57 -1.26 -1.58 116.57 118.20 1y13 h LYS 72 Ca 0.04 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1y13 h LYS 72 Cb 0.15 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1y13 h LYS 72 CO -0.00 0.79 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.35 1y13 h LYS 73 N 1.23 -0.19 -0.46 3.15 3.64 -1.29 0.25 116.57 122.90 1y13 h LYS 73 Ca 0.38 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 1y13 h LYS 73 Cb -0.01 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1y13 h LYS 73 CO -0.12 -0.13 0.15 0.28 -2.27 0.00 0.00 179.45 177.36 1y13 h VAL 74 N -0.20 1.22 -0.54 2.00 2.07 -1.21 -2.82 116.25 116.77 1y13 h VAL 74 Ca 0.01 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1y13 h VAL 74 Cb 0.20 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1y13 h VAL 74 CO -0.04 0.26 0.32 0.00 0.02 0.00 0.00 177.57 178.13 1y13 h ASN 76 N 0.72 0.20 -0.47 0.00 2.35 -0.77 -1.18 115.58 116.44 1y13 h ASN 76 Ca 0.19 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1y13 h ASN 76 Cb 0.00 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1y13 h ASN 76 CO -0.03 0.13 -0.04 0.11 -1.65 0.00 0.00 177.43 175.95 1y13 h LYS 77 N 0.23 0.91 0.04 0.81 1.57 -1.24 -3.26 116.57 115.62 1y13 h LYS 77 Ca 0.12 -0.28 -0.25 0.00 -1.87 0.00 0.00 60.65 58.37 1y13 h LYS 77 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1y13 h LYS 77 CO -0.02 0.93 -1.24 -0.07 -0.57 0.00 0.00 179.45 178.47 1y13 h LEU 78 N 0.83 0.13 -9.49 2.94 3.38 -1.34 -3.48 115.31 108.29 1y13 h LEU 78 Ca 0.15 -0.16 -0.61 0.00 0.09 0.00 0.00 57.88 57.35 1y13 h LEU 78 Cb 0.55 -0.04 0.08 0.00 0.09 0.00 0.00 40.66 41.34 1y13 h LEU 78 CO 0.03 1.13 0.50 -0.67 0.09 0.00 0.00 178.44 179.52 1y13 n ASP 79 N -3.35 2.27 -1.82 -0.43 2.03 -0.51 -3.62 116.55 111.12 1y13 n ASP 79 Ca -0.07 1.14 -0.08 0.00 0.52 0.00 0.00 54.79 56.30 1y13 n ASP 79 Cb 0.99 -1.35 0.03 0.00 -0.72 0.00 0.00 41.12 40.07 1y13 n ASP 79 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1y13 n HIS 80 N 1.86 -0.95 -4.14 -0.67 8.25 -0.33 -4.91 115.22 114.34 1y13 n HIS 80 Ca 0.13 0.37 -0.09 0.00 -0.26 0.00 0.00 57.72 57.87 1y13 n HIS 80 Cb 0.29 -2.90 -0.10 0.00 1.12 0.00 0.00 29.99 28.39 1y13 n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1y13 s HIS 81 N -3.13 0.81 -0.08 4.41 3.76 -1.24 -4.97 115.29 114.85 1y13 s HIS 81 Ca 0.10 -1.21 -0.26 0.00 -0.15 0.00 0.00 55.06 53.54 1y13 s HIS 81 Cb -0.04 -0.46 -0.03 0.00 1.11 0.00 0.00 32.58 33.16 1y13 s HIS 81 CO 0.28 -0.51 0.82 0.12 -0.85 0.00 0.00 174.74 174.59 1y13 s PHE 82 N -4.03 3.55 -0.30 1.40 5.36 0.11 -1.54 117.98 122.53 1y13 s PHE 82 Ca 0.22 1.37 -0.26 0.00 -0.96 0.00 0.00 56.93 57.30 1y13 s PHE 82 Cb 0.07 -2.96 0.01 0.00 -0.34 0.00 0.00 43.02 39.81 1y13 s PHE 82 CO 0.00 -0.05 0.93 0.42 -1.46 0.00 0.00 175.22 175.06 1y13 s ILE 83 N 1.31 4.68 -0.21 3.12 1.01 -0.20 -1.05 121.20 129.85 1y13 s ILE 83 Ca 0.41 1.51 -0.04 0.00 0.00 0.00 0.00 60.65 62.53 1y13 s ILE 83 Cb -0.18 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.01 1y13 s ILE 83 CO 0.19 -0.32 -0.03 -1.48 0.00 0.00 0.00 174.94 173.30 1y13 s LEU 84 N 3.23 3.01 -0.79 2.97 0.05 -0.46 -4.74 118.68 121.96 1y13 s LEU 84 Ca 0.39 -0.33 -0.22 0.00 0.05 0.00 0.00 54.13 54.01 1y13 s LEU 84 Cb -0.14 -1.77 0.07 0.00 -2.05 0.00 0.00 46.19 42.31 1y13 s LEU 84 CO 0.12 0.01 1.13 -2.16 -0.55 0.00 0.00 176.35 174.90 1y13 s PRO 85 N 1.30 3.31 0.47 1.48 0.04 -1.26 -1.21 135.00 139.13 1y13 s PRO 85 Ca 0.04 -1.00 0.32 0.00 0.04 0.00 0.00 61.00 60.40 1y13 s PRO 85 Cb -0.14 -4.55 1.54 0.00 0.04 0.00 0.00 34.50 31.39 1y13 s PRO 85 CO -0.01 -1.92 1.97 -0.84 0.04 0.00 0.00 177.00 176.24 1y13 h ILE 86 N 6.07 0.00 -0.55 0.56 3.07 -1.35 -1.88 117.51 123.43 1y13 h ILE 86 Ca -0.11 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1y13 h ILE 86 Cb 1.05 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1y13 h ILE 86 CO 1.22 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 177.10 1y13 n TYR 87 N -2.73 0.74 -1.65 0.16 4.01 -0.78 -4.97 117.16 111.93 1y13 n TYR 87 Ca -0.00 -0.37 -0.47 0.00 -0.16 0.00 0.00 57.90 56.90 1y13 n TYR 87 Cb 0.17 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 1y13 n TYR 87 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y13 n SER 88 N 1.20 2.57 -0.52 7.72 2.88 -0.71 -4.57 113.62 122.19 1y13 n SER 88 Ca 0.19 1.11 0.14 0.00 -1.33 0.00 0.00 58.87 58.98 1y13 n SER 88 Cb 0.50 -1.36 0.48 0.00 -0.75 0.00 0.00 64.21 63.08 1y13 n SER 88 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y13 n ASP 89 N 2.80 1.63 0.00 -3.46 5.75 -1.26 -4.12 116.55 117.88 1y13 n ASP 89 Ca 0.16 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 1y13 n ASP 89 Cb 0.27 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1y13 n ASP 89 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1y13 n VAL 90 N 0.28 0.64 -4.40 2.12 0.24 -1.26 -5.04 118.33 110.90 1y13 n VAL 90 Ca 0.18 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.34 61.58 1y13 n VAL 90 Cb 0.37 0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 33.33 1y13 n VAL 90 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1y13 s LEU 91 N -0.64 2.20 -0.07 1.34 1.43 -1.26 -3.64 118.68 118.05 1y13 s LEU 91 Ca 0.00 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1y13 s LEU 91 Cb 0.00 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1y13 s LEU 91 CO 0.00 0.06 -0.23 -0.54 0.23 0.00 0.00 176.35 175.87 1y13 s LYS 92 N -1.33 2.65 -0.10 1.70 1.02 -0.86 -4.86 119.74 117.95 1y13 s LYS 92 Ca 0.03 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.20 1y13 s LYS 92 Cb -0.09 -2.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1y13 s LYS 92 CO 0.02 0.38 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.55 1y13 s PHE 93 N -0.15 2.58 -0.01 3.18 0.08 -1.26 -1.19 117.98 121.21 1y13 s PHE 93 Ca -0.03 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.07 1y13 s PHE 93 Cb -0.14 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 1y13 s PHE 93 CO 0.04 -0.36 -0.00 -1.21 -0.10 0.00 0.00 175.22 173.58 1y13 s GLU 94 N 0.27 0.07 -0.26 0.44 2.02 -0.54 -4.98 118.70 115.73 1y13 s GLU 94 Ca -0.16 0.02 -0.23 0.00 0.02 0.00 0.00 54.97 54.62 1y13 s GLU 94 Cb -0.17 -0.14 -0.01 0.00 0.10 0.00 0.00 34.13 33.91 1y13 s GLU 94 CO 0.08 -0.03 0.74 -0.80 0.02 0.00 0.00 175.26 175.27 1y13 s ASN 95 N 0.26 6.69 -0.20 -0.19 -0.87 -1.26 -0.39 114.94 118.97 1y13 s ASN 95 Ca -0.02 0.82 -0.01 0.00 -1.57 0.00 0.00 52.86 52.08 1y13 s ASN 95 Cb -0.04 -2.39 0.06 0.00 -0.02 0.00 0.00 41.25 38.86 1y13 s ASN 95 CO -0.01 -0.48 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.34 1y13 s VAL 96 N 2.73 1.01 0.00 1.60 1.01 -0.14 -5.00 120.40 121.62 1y13 s VAL 96 Ca 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1y13 s VAL 96 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1y13 s VAL 96 CO 0.09 -0.11 0.00 1.17 0.00 0.00 0.00 175.10 176.25 1y13 n LYS 97 N 4.87 0.00 -0.29 2.72 4.81 -1.26 -1.14 118.16 127.87 1y13 n LYS 97 Ca -0.11 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.44 1y13 n LYS 97 Cb 0.46 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.77 1y13 n LYS 97 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1y13 n ASN 98 N 9.26 3.64 -4.71 3.14 3.02 -1.26 -4.98 115.26 123.37 1y13 n ASN 98 Ca 0.00 -1.98 -0.28 0.00 -0.03 0.00 0.00 54.58 52.29 1y13 n ASN 98 Cb 0.00 -0.38 -0.07 0.00 -0.61 0.00 0.00 39.78 38.72 1y13 n ASN 98 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1y13 s ASN 99 N -1.11 5.06 -0.17 6.41 -0.87 -0.30 0.37 114.94 124.35 1y13 s ASN 99 Ca 0.42 -0.24 -0.04 0.00 -1.57 0.00 0.00 52.86 51.42 1y13 s ASN 99 Cb 0.22 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.23 1y13 s ASN 99 CO 0.30 0.12 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.30 1y13 s ILE 100 N -1.57 3.97 -0.18 0.60 1.01 0.83 -0.96 121.20 124.90 1y13 s ILE 100 Ca 0.28 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1y13 s ILE 100 Cb -0.10 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1y13 s ILE 100 CO 0.20 0.47 0.15 -0.75 0.00 0.00 0.00 174.94 175.00 1y13 s LYS 101 N 0.56 4.01 -0.18 2.79 2.20 0.47 -1.76 119.74 127.83 1y13 s LYS 101 Ca -0.02 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 1y13 s LYS 101 Cb -0.14 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1y13 s LYS 101 CO 0.02 0.42 -0.13 0.42 -0.36 0.00 0.00 175.35 175.72 1y13 s ILE 102 N 0.02 2.76 -0.20 5.43 1.01 0.39 -1.47 121.20 129.15 1y13 s ILE 102 Ca 0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1y13 s ILE 102 Cb -0.11 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1y13 s ILE 102 CO -0.00 0.49 -0.04 -0.63 0.00 0.00 0.00 174.94 174.76 1y13 s ILE 103 N 1.15 3.59 0.59 2.92 1.09 -0.34 -1.22 121.20 128.98 1y13 s ILE 103 Ca 0.01 -0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 59.11 1y13 s ILE 103 Cb -0.14 -2.61 0.04 0.00 -1.06 0.00 0.00 42.46 38.69 1y13 s ILE 103 CO -0.05 0.44 0.84 0.00 -0.10 0.00 0.00 174.94 176.08 1y13 h GLU 105 N -0.11 0.60 0.00 0.00 5.08 -1.88 -0.10 114.58 118.17 1y13 h GLU 105 Ca -0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1y13 h GLU 105 Cb 1.30 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1y13 h GLU 105 CO 0.55 0.44 0.00 -0.40 -1.00 0.00 0.00 179.01 178.60 1y13 n ASP 106 N -4.42 0.00 0.00 1.42 5.68 -1.26 -4.88 116.55 113.08 1y13 n ASP 106 Ca 0.03 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1y13 n ASP 106 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1y13 n ASP 106 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1y13 n ASN 107 N -0.70 -4.28 -4.79 -1.12 3.02 -0.05 -5.02 115.26 102.31 1y13 n ASN 107 Ca 0.09 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.30 1y13 n ASN 107 Cb 0.04 -1.90 -0.00 0.00 -0.61 0.00 0.00 39.78 37.30 1y13 n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1y13 s SER 108 N -2.02 5.90 0.05 6.41 1.04 -1.26 -4.77 113.70 119.06 1y13 s SER 108 Ca 0.00 1.95 0.04 0.00 0.48 0.00 0.00 55.95 58.42 1y13 s SER 108 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1y13 s SER 108 CO 0.00 -1.09 -0.13 -1.61 0.98 0.00 0.00 173.24 171.40 1y13 s GLU 109 N -3.62 0.78 0.10 4.02 2.02 -1.26 -1.13 118.70 119.62 1y13 s GLU 109 Ca 0.67 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.91 1y13 s GLU 109 Cb -0.18 -0.75 -0.03 0.00 0.10 0.00 0.00 34.13 33.27 1y13 s GLU 109 CO 0.29 0.17 -0.17 0.71 0.02 0.00 0.00 175.26 176.28 1y13 s TYR 110 N -1.11 1.53 -0.05 1.61 1.51 -0.36 -4.99 117.35 115.50 1y13 s TYR 110 Ca -0.02 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 55.55 1y13 s TYR 110 Cb -0.09 -0.83 0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1y13 s TYR 110 CO 0.01 0.16 0.09 0.45 -1.11 0.00 0.00 175.55 175.16 1y13 s SER 111 N -2.05 0.53 0.14 2.29 0.15 -1.26 -0.46 113.70 113.03 1y13 s SER 111 Ca 0.05 0.17 0.09 0.00 0.70 0.00 0.00 55.95 56.96 1y13 s SER 111 Cb -0.08 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1y13 s SER 111 CO 0.04 -0.20 -0.20 -0.36 1.20 0.00 0.00 173.24 173.72 1y13 s PHE 112 N 1.71 1.87 0.48 3.44 0.40 -0.72 -4.96 117.98 120.19 1y13 s PHE 112 Ca -0.02 -0.43 -0.24 0.00 -0.60 0.00 0.00 56.93 55.63 1y13 s PHE 112 Cb -0.12 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 42.36 1y13 s PHE 112 CO -0.04 0.29 1.42 -2.30 0.70 0.00 0.00 175.22 175.29 1y13 n PRO 113 N 0.67 2.11 -0.29 0.24 -0.02 -1.26 -0.12 135.00 136.33 1y13 n PRO 113 Ca -0.16 0.76 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1y13 n PRO 113 Cb 0.55 -2.63 0.26 0.00 -0.02 0.00 0.00 33.50 31.66 1y13 n PRO 113 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1y13 h GLU 114 N 2.06 0.45 0.00 -0.52 4.81 -0.38 -1.56 114.58 119.45 1y13 h GLU 114 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1y13 h GLU 114 Cb 1.28 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1y13 h GLU 114 CO 0.60 0.30 0.00 -2.13 -0.73 0.00 0.00 179.01 177.05 1y13 n ARG 115 N -4.99 0.01 0.00 1.92 0.63 -1.26 -1.93 116.66 111.04 1y13 n ARG 115 Ca 0.19 0.31 0.11 0.00 -0.92 0.00 0.00 57.85 57.54 1y13 n ARG 115 Cb 0.55 -1.50 0.09 0.00 0.45 0.00 0.00 32.46 32.04 1y13 n ARG 115 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1y13 n ASP 116 N -1.49 1.51 -4.69 6.15 9.92 -0.59 -4.93 116.55 122.44 1y13 n ASP 116 Ca 0.03 -1.19 -0.35 0.00 -0.53 0.00 0.00 54.79 52.75 1y13 n ASP 116 Cb 0.13 0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.98 1y13 n ASP 116 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y13 s ILE 118 N -0.89 3.79 -0.49 0.00 1.10 -0.22 -4.89 121.20 119.60 1y13 s ILE 118 Ca 0.14 -0.66 -0.26 0.00 -0.51 0.00 0.00 60.65 59.35 1y13 s ILE 118 Cb -0.11 -2.91 0.03 0.00 0.15 0.00 0.00 42.46 39.62 1y13 s ILE 118 CO 0.03 0.16 0.98 -0.54 -2.11 0.00 0.00 174.94 173.46 1y13 s LYS 119 N 1.48 3.52 -0.06 3.50 1.02 -1.26 -1.36 119.74 126.57 1y13 s LYS 119 Ca 0.03 0.14 -0.02 0.00 0.02 0.00 0.00 55.97 56.14 1y13 s LYS 119 Cb -0.17 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 1y13 s LYS 119 CO 0.01 -1.34 0.05 -0.51 -0.92 0.00 0.00 175.35 172.64 1y13 s LEU 120 N 4.00 3.82 -1.46 3.17 1.43 -0.35 -4.95 118.68 124.34 1y13 s LEU 120 Ca 0.38 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 1y13 s LEU 120 Cb -0.10 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.16 1y13 s LEU 120 CO 0.26 0.35 2.27 -0.81 0.23 0.00 0.00 176.35 178.65 1y13 n PRO 121 N 1.80 3.06 -4.10 1.29 -0.05 -1.26 -1.87 135.00 133.87 1y13 n PRO 121 Ca -0.17 -2.68 -0.13 0.00 -0.05 0.00 0.00 63.50 60.47 1y13 n PRO 121 Cb 0.54 -3.18 -0.11 0.00 -0.05 0.00 0.00 33.50 30.69 1y13 n PRO 121 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 1y13 s ILE 122 N 2.70 0.62 0.08 0.52 -4.36 -1.26 -4.91 121.20 114.58 1y13 s ILE 122 Ca 0.49 -1.30 -0.07 0.00 -0.26 0.00 0.00 60.65 59.51 1y13 s ILE 122 Cb 0.14 -0.90 -0.28 0.00 1.25 0.00 0.00 42.46 42.67 1y13 s ILE 122 CO -0.08 -0.49 1.14 0.11 0.24 0.00 0.00 174.94 175.87 1y13 h LYS 123 N 4.12 0.35 -4.55 0.37 1.57 -1.87 -2.06 116.57 114.50 1y13 h LYS 123 Ca -0.36 -0.55 -0.32 0.00 -1.87 0.00 0.00 60.65 57.55 1y13 h LYS 123 Cb 1.19 0.20 -0.25 0.00 0.08 0.00 0.00 32.23 33.46 1y13 h LYS 123 CO 0.46 1.25 -0.75 -1.01 -0.57 0.00 0.00 179.45 178.83 1y13 s HIS 124 N -2.75 0.65 -0.21 -1.35 3.76 -1.26 -3.59 115.29 110.54 1y13 s HIS 124 Ca -0.05 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1y13 s HIS 124 Cb 0.07 -0.40 0.04 0.00 1.11 0.00 0.00 32.58 33.39 1y13 s HIS 124 CO 0.89 -0.04 2.50 -1.13 -0.85 0.00 0.00 174.74 176.12 1y13 n SER 125 N 2.14 5.97 -4.84 1.40 3.41 -1.26 -4.56 113.62 115.87 1y13 n SER 125 Ca -0.18 -2.83 -0.32 0.00 -0.26 0.00 0.00 58.87 55.28 1y13 n SER 125 Cb 0.56 -1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.31 1y13 n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y13 s SER 126 N 1.00 6.39 0.29 4.04 1.04 -1.26 -4.86 113.70 120.33 1y13 s SER 126 Ca 0.37 1.59 -0.03 0.00 0.48 0.00 0.00 55.95 58.37 1y13 s SER 126 Cb 0.23 -2.51 0.41 0.00 0.10 0.00 0.00 66.02 64.25 1y13 s SER 126 CO -0.05 -0.75 1.96 0.74 0.98 0.00 0.00 173.24 176.12 1y13 h THR 127 N 0.61 1.22 -0.07 2.02 2.02 -1.95 -0.22 112.91 116.54 1y13 h THR 127 Ca -0.46 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.35 1y13 h THR 127 Cb 1.19 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1y13 h THR 127 CO 0.61 0.21 -0.24 -0.33 0.37 0.00 0.00 175.52 176.14 1y13 h GLU 128 N 1.17 -0.32 -0.07 6.66 3.07 -1.93 -0.83 114.58 122.32 1y13 h GLU 128 Ca 0.32 0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 59.00 1y13 h GLU 128 Cb -0.13 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1y13 h GLU 128 CO -0.07 -0.22 -0.79 0.93 -1.40 0.00 0.00 179.01 177.47 1y13 h GLU 129 N -0.33 0.48 -0.58 2.33 5.08 -1.72 -2.00 114.58 117.84 1y13 h GLU 129 Ca 0.08 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1y13 h GLU 129 Cb 0.45 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1y13 h GLU 129 CO -0.26 1.06 0.38 0.82 -1.00 0.00 0.00 179.01 180.01 1y13 h ILE 130 N 0.32 1.14 -0.35 3.13 2.04 -1.08 -2.03 117.51 120.67 1y13 h ILE 130 Ca -0.05 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1y13 h ILE 130 Cb 1.39 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1y13 h ILE 130 CO 0.14 0.14 -0.07 1.23 0.00 0.00 0.00 178.15 179.59 1y13 h GLY 131 N 0.78 0.27 0.79 5.37 0.00 -0.96 -0.46 103.07 108.86 1y13 h GLY 131 Ca 0.22 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.70 1y13 h GLY 131 CO -0.05 -0.13 0.54 1.46 0.00 0.00 0.00 176.54 178.36 1y13 h GLN 132 N 0.02 0.98 0.12 4.80 4.20 -1.21 0.35 115.11 124.37 1y13 h GLN 132 Ca 0.17 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1y13 h GLN 132 Cb 0.25 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1y13 h GLN 132 CO -0.35 0.65 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.48 1y13 h TYR 133 N 1.01 -0.15 -0.67 2.96 3.20 -0.91 -2.37 116.97 120.05 1y13 h TYR 133 Ca 0.36 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1y13 h TYR 133 Cb 0.10 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1y13 h TYR 133 CO -0.03 -0.09 0.42 0.82 -1.64 0.00 0.00 178.16 177.65 1y13 h ILE 134 N -0.16 1.18 -0.18 1.81 2.04 -0.75 -1.62 117.51 119.83 1y13 h ILE 134 Ca -0.02 -0.37 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1y13 h ILE 134 Cb 0.13 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1y13 h ILE 134 CO 0.03 0.18 0.09 0.25 0.00 0.00 0.00 178.15 178.70 1y13 h LEU 135 N 0.91 0.14 -0.29 1.44 5.85 -0.91 0.75 115.31 123.19 1y13 h LEU 135 Ca 0.24 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1y13 h LEU 135 Cb -0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1y13 h LEU 135 CO -0.05 0.11 0.13 0.78 -0.34 0.00 0.00 178.44 179.06 1y13 h ASN 136 N 0.19 0.17 -0.34 1.25 2.35 -1.19 -1.13 115.58 116.89 1y13 h ASN 136 Ca 0.07 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1y13 h ASN 136 Cb 0.02 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1y13 h ASN 136 CO -0.05 0.14 0.08 1.56 -1.65 0.00 0.00 177.43 177.50 1y13 h GLN 137 N 0.27 0.20 -0.91 0.81 1.08 -0.94 -1.56 115.11 114.06 1y13 h GLN 137 Ca 0.13 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1y13 h GLN 137 Cb 0.07 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1y13 h GLN 137 CO -0.11 0.13 0.51 -0.07 -0.95 0.00 0.00 178.83 178.34 1y13 h LEU 138 N 0.20 1.13 -1.01 1.46 3.38 -0.64 0.76 115.31 120.59 1y13 h LEU 138 Ca 0.16 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1y13 h LEU 138 Cb 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1y13 h LEU 138 CO -0.20 0.90 0.26 0.40 0.09 0.00 0.00 178.44 179.89 1y13 h ILE 139 N 1.27 1.23 -0.18 1.22 2.04 -0.82 -2.95 117.51 119.33 1y13 h ILE 139 Ca 0.32 -0.73 -0.19 0.00 1.00 0.00 0.00 64.86 65.26 1y13 h ILE 139 Cb 0.01 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1y13 h ILE 139 CO -0.05 0.29 -0.63 -0.33 0.00 0.00 0.00 178.15 177.43 1y13 h GLU 140 N 0.95 0.75 -0.70 2.37 5.08 -0.58 -2.54 114.58 119.91 1y13 h GLU 140 Ca 0.22 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1y13 h GLU 140 Cb 0.19 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1y13 h GLU 140 CO -0.02 1.18 0.00 0.39 -1.00 0.00 0.00 179.01 179.56 1y13 n GLU 141 N -4.04 0.08 -3.15 2.33 -0.58 0.19 -4.66 120.64 110.81 1y13 n GLU 141 Ca -0.07 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.73 1y13 n GLU 141 Cb 0.67 -1.18 -0.01 0.00 -0.57 0.00 0.00 31.44 30.34 1y13 n GLU 141 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1y13 s ASP 143 N -0.27 -0.47 0.45 1.62 2.15 -0.96 -5.08 116.67 114.11 1y13 s ASP 143 Ca 0.00 0.26 0.22 0.00 0.43 0.00 0.00 52.55 53.46 1y13 s ASP 143 Cb 0.00 1.38 1.20 0.00 -0.30 0.00 0.00 42.92 45.21 1y13 s ASP 143 CO 0.00 -0.09 1.84 1.62 -0.17 0.00 0.00 175.17 178.37 1y13 h VAL 144 N 5.25 0.59 0.00 1.11 3.04 -1.82 -2.02 116.25 122.40 1y13 h VAL 144 Ca -0.13 -0.10 -0.17 0.00 -1.01 0.00 0.00 66.70 65.29 1y13 h VAL 144 Cb 1.17 0.28 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 1y13 h VAL 144 CO -0.09 0.05 -0.87 0.77 -1.01 0.00 0.00 177.57 176.42 1y13 h SER 145 N 0.29 0.00 0.04 3.17 4.64 -1.99 -1.74 113.55 117.97 1y13 h SER 145 Ca 0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1y13 h SER 145 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1y13 h SER 145 CO -0.16 0.80 -0.02 0.25 -0.87 0.00 0.00 176.83 176.83 1y13 h LEU 146 N 0.00 -0.05 -0.78 5.97 5.85 -1.82 -1.11 115.31 123.38 1y13 h LEU 146 Ca -0.03 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.70 1y13 h LEU 146 Cb 1.63 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.60 1y13 h LEU 146 CO 0.10 0.06 0.42 -0.07 -0.34 0.00 0.00 178.44 178.61 1y13 h LEU 147 N -0.15 0.58 -0.63 2.25 3.38 -1.41 -2.29 115.31 117.04 1y13 h LEU 147 Ca -0.01 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1y13 h LEU 147 Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1y13 h LEU 147 CO 0.01 0.32 0.11 0.11 0.09 0.00 0.00 178.44 179.08 1y13 h LYS 148 N 0.70 1.03 0.00 1.13 1.79 -1.21 0.25 116.57 120.26 1y13 h LYS 148 Ca 0.38 -0.27 -0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1y13 h LYS 148 Cb 0.39 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1y13 h LYS 148 CO -0.26 0.96 -0.26 0.66 -1.08 0.00 0.00 179.45 179.46 1y13 h SER 149 N 0.94 0.00 0.03 0.86 4.64 -0.66 -1.49 113.55 117.87 1y13 h SER 149 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1y13 h SER 149 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1y13 h SER 149 CO 0.01 0.26 -0.04 0.54 -0.87 0.00 0.00 176.83 176.74 1y13 n ARG 150 N -4.04 1.48 -2.23 4.77 1.74 -0.93 -4.95 116.66 112.49 1y13 n ARG 150 Ca -0.02 -0.81 -0.15 0.00 -0.77 0.00 0.00 57.85 56.10 1y13 n ARG 150 Cb 0.33 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 1y13 n ARG 150 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1y13 n HIS 151 N -0.06 -0.68 -2.47 -1.55 8.25 -0.56 -4.45 115.22 113.70 1y13 n HIS 151 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 1y13 n HIS 151 Cb 0.33 -3.14 -0.03 0.00 1.12 0.00 0.00 29.99 28.28 1y13 n HIS 151 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1y13 s ILE 152 N -2.75 4.26 0.00 1.59 1.01 0.02 -4.48 121.20 120.86 1y13 s ILE 152 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1y13 s ILE 152 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1y13 s ILE 152 CO 0.00 0.03 0.33 0.00 0.00 0.00 0.00 174.94 175.30 1y13 n HIS 153 N 4.92 0.00 -3.71 3.97 1.44 -0.77 -4.48 115.22 116.59 1y13 n HIS 153 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.70 1y13 n HIS 153 Cb 0.46 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.47 1y13 n HIS 153 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1y13 s TYR 154 N -0.25 -0.56 -0.01 -1.40 5.04 -1.23 -0.23 117.35 118.71 1y13 s TYR 154 Ca 0.00 1.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 1y13 s TYR 154 Cb 0.00 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1y13 s TYR 154 CO 0.00 -0.30 -0.02 -1.50 -1.34 0.00 0.00 175.55 172.40 1y13 s ILE 155 N 0.81 0.17 -0.02 3.14 2.07 -0.41 -1.18 121.20 125.79 1y13 s ILE 155 Ca -0.05 -0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1y13 s ILE 155 Cb -0.06 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.40 1y13 s ILE 155 CO -0.06 0.06 0.03 -0.70 -1.91 0.00 0.00 174.94 172.36 1y13 s GLU 156 N 0.09 -0.03 0.07 3.50 2.12 0.15 -0.88 118.70 123.73 1y13 s GLU 156 Ca -0.01 0.15 0.09 0.00 0.36 0.00 0.00 54.97 55.57 1y13 s GLU 156 Cb -0.03 -0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 1y13 s GLU 156 CO -0.00 -0.13 -0.25 0.96 -0.54 0.00 0.00 175.26 175.29 1y13 s ILE 157 N 0.85 2.26 -0.13 -3.70 -4.36 -0.33 -0.71 121.20 115.07 1y13 s ILE 157 Ca -0.07 -1.47 -0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1y13 s ILE 157 Cb -0.10 -1.92 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 1y13 s ILE 157 CO -0.02 0.29 -0.02 -0.44 0.24 0.00 0.00 174.94 174.99 1y13 s SER 158 N -1.49 5.01 -0.20 4.36 0.01 -0.37 -1.57 113.70 119.45 1y13 s SER 158 Ca 0.13 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1y13 s SER 158 Cb -0.10 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1y13 s SER 158 CO 0.04 0.24 -0.16 -0.69 0.41 0.00 0.00 173.24 173.08 1y13 s VAL 159 N -0.08 2.01 -0.12 3.43 1.01 0.48 -1.22 120.40 125.92 1y13 s VAL 159 Ca 0.03 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 1y13 s VAL 159 Cb -0.13 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1y13 s VAL 159 CO 0.02 0.35 0.24 -0.94 0.00 0.00 0.00 175.10 174.77 1y13 s SER 160 N 1.27 6.47 0.26 3.32 1.04 -0.21 -0.51 113.70 125.33 1y13 s SER 160 Ca 0.01 0.55 0.23 0.00 0.48 0.00 0.00 55.95 57.22 1y13 s SER 160 Cb -0.15 -2.14 0.13 0.00 0.10 0.00 0.00 66.02 63.96 1y13 s SER 160 CO -0.10 0.27 1.24 1.05 0.98 0.00 0.00 173.24 176.67 1y13 h GLU 161 N 5.64 0.00 -3.43 4.02 4.11 -1.65 -1.71 114.58 121.55 1y13 h GLU 161 Ca -0.48 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.89 1y13 h GLU 161 Cb 1.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 1y13 h GLU 161 CO 0.66 0.00 0.04 -1.54 0.07 0.00 0.00 179.01 178.25 1y13 s SER 162 N -5.50 0.07 0.00 3.06 1.04 -1.23 -4.14 113.70 107.00 1y13 s SER 162 Ca 0.02 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.48 1y13 s SER 162 Cb 0.09 0.70 0.13 0.00 0.10 0.00 0.00 66.02 67.04 1y13 s SER 162 CO 0.75 -1.35 1.06 -2.65 0.98 0.00 0.00 173.24 172.03 1y13 n PRO 163 N -0.47 0.01 -0.00 4.02 -0.02 -1.26 -3.08 135.00 134.20 1y13 n PRO 163 Ca -0.03 0.41 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1y13 n PRO 163 Cb 0.61 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 1y13 n PRO 163 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1y13 n THR 164 N -1.46 0.00 -3.80 3.45 -2.24 -1.26 -4.99 114.28 103.98 1y13 n THR 164 Ca 0.01 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 1y13 n THR 164 Cb 0.03 0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 68.77 1y13 n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y13 s GLN 165 N -2.38 -0.02 0.08 -0.78 -2.07 -1.18 -5.12 119.66 108.19 1y13 s GLN 165 Ca 0.00 0.13 -0.07 0.00 -1.82 0.00 0.00 55.36 53.60 1y13 s GLN 165 Cb 0.08 -0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 31.83 1y13 s GLN 165 CO 0.47 -0.11 0.15 -1.59 -1.32 0.00 0.00 175.29 172.88 1y13 s LYS 166 N 0.70 0.79 0.01 9.60 -2.85 -1.26 -1.92 119.74 124.81 1y13 s LYS 166 Ca -0.06 -0.99 0.05 0.00 -1.00 0.00 0.00 55.97 53.97 1y13 s LYS 166 Cb -0.08 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1y13 s LYS 166 CO -0.02 -0.23 -0.11 0.00 0.10 0.00 0.00 175.35 175.09 1y13 s ALA 167 N -3.79 2.86 -0.17 0.59 0.00 0.33 -4.96 121.76 116.61 1y13 s ALA 167 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1y13 s ALA 167 Cb 0.05 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.22 1y13 s ALA 167 CO -0.10 0.60 -0.10 0.42 0.00 0.00 0.00 175.76 176.58 1y13 s ILE 168 N -0.96 1.46 0.21 0.00 1.09 -1.26 -0.39 121.20 121.35 1y13 s ILE 168 Ca 0.16 -0.79 0.10 0.00 -1.10 0.00 0.00 60.65 59.02 1y13 s ILE 168 Cb -0.11 -1.52 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 1y13 s ILE 168 CO 0.06 0.24 -0.16 0.68 -0.10 0.00 0.00 174.94 175.66 1y13 s VAL 169 N 1.49 2.77 0.16 2.92 -7.23 -0.61 -5.00 120.40 114.91 1y13 s VAL 169 Ca 0.01 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1y13 s VAL 169 Cb -0.15 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1y13 s VAL 169 CO -0.09 -0.17 0.24 -1.38 -0.31 0.00 0.00 175.10 173.39 1y13 s HIS 170 N -1.85 0.49 -0.06 2.82 -3.43 -1.26 -1.19 115.29 110.80 1y13 s HIS 170 Ca 0.24 -0.85 -0.03 0.00 -0.80 0.00 0.00 55.06 53.62 1y13 s HIS 170 Cb -0.08 -0.13 0.03 0.00 -1.43 0.00 0.00 32.58 30.97 1y13 s HIS 170 CO 0.13 -0.69 0.14 0.21 -2.00 0.00 0.00 174.74 172.54 1y13 s LYS 171 N -3.98 0.11 -0.07 -0.38 2.20 -0.06 -5.00 119.74 112.56 1y13 s LYS 171 Ca 0.19 0.33 -0.23 0.00 -0.36 0.00 0.00 55.97 55.91 1y13 s LYS 171 Cb 0.04 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1y13 s LYS 171 CO 0.01 -0.13 0.66 0.71 -0.36 0.00 0.00 175.35 176.23 1y13 s TYR 172 N 0.94 3.57 0.00 4.03 2.02 -1.26 -1.29 117.35 125.36 1y13 s TYR 172 Ca -0.07 1.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 1y13 s TYR 172 Cb -0.09 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 1y13 s TYR 172 CO -0.05 0.10 0.13 0.44 -1.57 0.00 0.00 175.55 174.60