#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 1.47 -4.76 1.20 3.41 -1.26 -4.97 113.62 108.72 1y13 n SER 12 Ca 0.00 -1.24 -0.37 0.00 -0.26 0.00 0.00 58.87 57.01 1y13 n SER 12 Cb 0.00 0.48 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.72 5.45 0.05 4.04 1.04 -1.26 -4.58 113.70 116.72 1y13 s SER 13 Ca 0.11 2.46 0.00 0.00 0.48 0.00 0.00 55.95 59.01 1y13 s SER 13 Cb 0.11 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1y13 s SER 13 CO 0.36 -1.42 -0.05 0.00 0.98 0.00 0.00 173.24 173.11 1y13 s ALA 14 N -1.51 0.53 0.05 5.32 0.00 -0.27 -4.99 121.76 120.89 1y13 s ALA 14 Ca 0.73 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.76 1y13 s ALA 14 Cb -0.32 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1y13 s ALA 14 CO 0.37 -0.23 -0.25 -1.21 0.00 0.00 0.00 175.76 174.44 1y13 s GLU 15 N -2.91 1.83 0.03 0.00 2.02 -1.26 -0.83 118.70 117.57 1y13 s GLU 15 Ca -0.00 -1.10 0.08 0.00 0.02 0.00 0.00 54.97 53.97 1y13 s GLU 15 Cb 0.00 -2.01 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1y13 s GLU 15 CO -0.05 0.51 -0.25 0.14 0.02 0.00 0.00 175.26 175.64 1y13 s VAL 16 N -0.83 1.99 0.04 2.63 -7.23 -0.77 -5.00 120.40 111.22 1y13 s VAL 16 Ca 0.12 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1y13 s VAL 16 Cb -0.10 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1y13 s VAL 16 CO 0.03 0.39 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.18 1y13 s SER 17 N -1.03 0.94 -0.00 4.85 1.04 -1.26 -1.58 113.70 116.66 1y13 s SER 17 Ca 0.10 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 56.05 1y13 s SER 17 Cb -0.10 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1y13 s SER 17 CO 0.01 -0.19 -0.20 0.68 0.98 0.00 0.00 173.24 174.52 1y13 s VAL 18 N -1.35 1.63 -0.15 5.02 -7.23 -0.45 -5.00 120.40 112.86 1y13 s VAL 18 Ca -0.09 -0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.97 1y13 s VAL 18 Cb -0.10 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.52 1y13 s VAL 18 CO 0.01 0.39 0.42 -1.83 -0.31 0.00 0.00 175.10 173.78 1y13 s GLU 19 N -0.66 0.52 -0.28 4.82 -1.05 -1.26 -1.86 118.70 118.93 1y13 s GLU 19 Ca 0.08 0.54 -0.24 0.00 -0.15 0.00 0.00 54.97 55.19 1y13 s GLU 19 Cb -0.08 0.25 0.11 0.00 -0.44 0.00 0.00 34.13 33.97 1y13 s GLU 19 CO -0.00 -0.07 0.95 0.45 0.95 0.00 0.00 175.26 177.53 1y13 s SER 20 N 0.10 -0.54 0.49 0.83 0.15 -1.26 -4.98 113.70 108.50 1y13 s SER 20 Ca -0.01 1.02 0.23 0.00 0.70 0.00 0.00 55.95 57.89 1y13 s SER 20 Cb -0.03 1.05 1.23 0.00 -1.71 0.00 0.00 66.02 66.55 1y13 s SER 20 CO 0.01 -0.18 1.65 1.55 1.20 0.00 0.00 173.24 177.47 1y13 h PRO 21 N 4.52 0.00 0.00 5.44 0.13 -2.02 0.22 132.00 140.29 1y13 h PRO 21 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1y13 h PRO 21 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1y13 h PRO 21 CO 0.10 0.00 -0.42 1.03 -0.23 0.00 0.00 178.00 178.47 1y13 h SER 22 N 0.00 0.00 -0.26 1.44 0.87 -1.97 -3.36 113.55 110.27 1y13 h SER 22 Ca 0.00 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.85 1y13 h SER 22 Cb 0.56 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1y13 h SER 22 CO 0.00 0.42 3.02 0.49 -0.53 0.00 0.00 176.83 180.23 1y13 n PHE 23 N -3.33 3.27 -4.11 2.24 3.72 0.06 -4.91 117.46 114.41 1y13 n PHE 23 Ca 0.01 -2.96 -0.15 0.00 -0.05 0.00 0.00 57.45 54.31 1y13 n PHE 23 Cb 0.63 -2.43 -0.12 0.00 -0.94 0.00 0.00 39.48 36.62 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 2.60 1.08 -0.05 4.37 0.01 -1.26 -0.54 113.70 119.91 1y13 s SER 24 Ca 0.49 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1y13 s SER 24 Cb 0.14 0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.38 1y13 s SER 24 CO -0.07 -0.14 -0.12 0.72 0.41 0.00 0.00 173.24 174.04 1y13 s PHE 25 N -1.24 1.33 -0.43 2.43 -0.71 -0.36 -4.68 117.98 114.31 1y13 s PHE 25 Ca -0.07 -0.43 -0.12 0.00 -1.04 0.00 0.00 56.93 55.27 1y13 s PHE 25 Cb -0.09 -0.96 0.07 0.00 -1.21 0.00 0.00 43.02 40.82 1y13 s PHE 25 CO 0.01 -0.21 0.30 -0.80 -1.34 0.00 0.00 175.22 173.18 1y13 s ASN 26 N 0.48 5.87 0.14 1.98 0.01 -1.26 -0.62 114.94 121.55 1y13 s ASN 26 Ca -0.10 -1.32 0.05 0.00 -0.71 0.00 0.00 52.86 50.78 1y13 s ASN 26 Cb -0.13 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.41 1y13 s ASN 26 CO 0.02 -0.55 -0.12 0.00 -1.51 0.00 0.00 177.10 174.94 1y13 s ALA 28 N -2.77 3.90 0.14 0.00 0.00 -0.33 -1.41 121.76 121.28 1y13 s ALA 28 Ca 0.14 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 1y13 s ALA 28 Cb -0.01 -1.88 0.07 0.00 0.00 0.00 0.00 23.12 21.31 1y13 s ALA 28 CO 0.02 0.43 1.03 -3.38 0.00 0.00 0.00 175.76 173.87 1y13 s HIS 29 N -1.85 -0.05 -0.09 0.00 -3.43 -0.62 -0.70 115.29 108.55 1y13 s HIS 29 Ca 0.36 -0.26 -0.15 0.00 -0.80 0.00 0.00 55.06 54.21 1y13 s HIS 29 Cb -0.11 0.65 0.03 0.00 -1.43 0.00 0.00 32.58 31.72 1y13 s HIS 29 CO 0.29 -0.79 0.36 -0.59 -2.00 0.00 0.00 174.74 172.01 1y13 s PHE 30 N -2.80 -0.33 0.07 0.38 -0.12 -1.26 -2.03 117.98 111.88 1y13 s PHE 30 Ca 0.16 0.71 -0.28 0.00 -0.05 0.00 0.00 56.93 57.48 1y13 s PHE 30 Cb -0.01 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.46 1y13 s PHE 30 CO 0.03 -0.30 0.87 0.42 -0.05 0.00 0.00 175.22 176.20 1y13 s ILE 31 N -0.48 4.65 -0.05 -4.49 1.01 -1.26 -4.67 121.20 115.91 1y13 s ILE 31 Ca -0.06 1.87 -0.00 0.00 0.00 0.00 0.00 60.65 62.46 1y13 s ILE 31 Cb -0.04 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.23 1y13 s ILE 31 CO 0.02 0.32 -0.01 0.00 0.00 0.00 0.00 174.94 175.27 1y13 s ALA 32 N 0.12 0.51 0.22 9.38 0.00 -1.26 -2.18 121.76 128.55 1y13 s ALA 32 Ca 0.44 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1y13 s ALA 32 Cb -0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1y13 s ALA 32 CO 0.26 -0.19 0.21 2.48 0.00 0.00 0.00 175.76 178.52 1y13 n TYR 33 N 4.47 -0.61 -1.63 0.00 0.18 -0.59 -4.88 117.16 114.10 1y13 n TYR 33 Ca -0.19 -1.80 -0.47 0.00 1.88 0.00 0.00 57.90 57.32 1y13 n TYR 33 Cb 0.50 0.22 -0.04 0.00 -0.38 0.00 0.00 39.34 39.64 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 -2.08 3.38 -0.01 9.48 4.13 -1.26 -1.44 115.26 127.45 1y13 n ASN 34 Ca 0.04 0.74 -0.00 0.00 1.68 0.00 0.00 54.58 57.04 1y13 n ASN 34 Cb 0.40 -1.42 -0.00 0.00 -1.54 0.00 0.00 39.78 37.21 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 4.99 0.45 2.98 7.41 0.00 -1.26 -5.02 105.19 114.74 1y13 n GLY 35 Ca 0.26 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.90 -0.22 -0.04 1.61 5.36 -0.52 -5.14 117.98 117.11 1y13 s PHE 36 Ca 0.00 0.59 -0.03 0.00 -0.96 0.00 0.00 56.93 56.53 1y13 s PHE 36 Cb 0.00 -0.03 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 1y13 s PHE 36 CO 0.00 -0.19 0.09 0.50 -1.46 0.00 0.00 175.22 174.17 1y13 s ARG 37 N 1.14 0.08 0.41 10.12 3.00 -1.26 -1.53 118.95 130.90 1y13 s ARG 37 Ca -0.09 0.20 0.07 0.00 -1.00 0.00 0.00 55.73 54.91 1y13 s ARG 37 Cb -0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 34.95 34.74 1y13 s ARG 37 CO -0.06 -0.08 0.18 -1.83 0.00 0.00 0.00 175.30 173.51 1y13 s GLU 38 N 0.50 2.23 0.50 5.12 -1.05 -0.93 -5.03 118.70 120.04 1y13 s GLU 38 Ca -0.04 -1.84 -0.19 0.00 -0.15 0.00 0.00 54.97 52.75 1y13 s GLU 38 Cb -0.05 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.57 1y13 s GLU 38 CO -0.02 -0.12 1.00 0.95 0.95 0.00 0.00 175.26 178.02 1y13 s THR 39 N -2.60 4.18 0.14 1.83 -4.23 -1.26 -4.66 115.64 109.03 1y13 s THR 39 Ca 0.41 1.21 -0.35 0.00 -1.18 0.00 0.00 61.69 61.78 1y13 s THR 39 Cb 0.04 -3.56 -0.15 0.00 1.34 0.00 0.00 72.50 70.17 1y13 s THR 39 CO 0.23 -0.44 1.45 -0.11 -0.54 0.00 0.00 174.62 175.20 1y13 n LEU 40 N -1.23 2.43 0.00 4.79 7.94 -1.26 -4.74 117.00 124.93 1y13 n LEU 40 Ca 0.08 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 1y13 n LEU 40 Cb 0.53 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.16 1y13 n LEU 40 CO 0.42 -0.66 0.00 0.00 -1.11 0.00 0.00 177.39 176.04 1y13 n HIS 41 N 2.82 -0.08 -3.83 1.96 1.44 -0.86 -5.01 115.22 111.66 1y13 n HIS 41 Ca 0.17 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.82 1y13 n HIS 41 Cb 0.25 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.37 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 -0.11 0.10 -0.01 -1.39 0.00 -1.26 -1.59 107.32 103.05 1y13 s GLY 42 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.17 1y13 s GLY 42 CO 0.00 0.42 0.35 0.30 0.00 0.00 0.00 173.10 174.17 1y13 s HIS 43 N -2.81 -0.22 -0.56 1.90 3.76 -0.50 -4.99 115.29 111.87 1y13 s HIS 43 Ca 0.15 0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 1y13 s HIS 43 Cb -0.04 0.13 0.05 0.00 1.11 0.00 0.00 32.58 33.82 1y13 s HIS 43 CO 0.07 -0.43 0.92 -0.80 -0.85 0.00 0.00 174.74 173.65 1y13 s ASN 44 N -1.42 6.31 0.13 1.40 0.01 -1.26 -1.72 114.94 118.39 1y13 s ASN 44 Ca -0.12 -0.48 -0.23 0.00 -0.71 0.00 0.00 52.86 51.31 1y13 s ASN 44 Cb -0.04 -2.42 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 1y13 s ASN 44 CO 0.04 -1.23 0.71 -0.31 -1.51 0.00 0.00 177.10 174.80 1y13 s TYR 45 N 3.85 3.86 -0.04 2.20 1.51 0.21 -4.35 117.35 124.60 1y13 s TYR 45 Ca 0.28 1.51 0.03 0.00 -1.01 0.00 0.00 57.07 57.88 1y13 s TYR 45 Cb -0.14 -2.69 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1y13 s TYR 45 CO 0.17 0.52 -0.13 1.21 -1.11 0.00 0.00 175.55 176.21 1y13 s ASN 46 N -1.04 1.69 -0.12 2.29 3.84 -0.59 -1.23 114.94 119.78 1y13 s ASN 46 Ca 0.34 -0.27 -0.00 0.00 0.21 0.00 0.00 52.86 53.13 1y13 s ASN 46 Cb -0.22 -0.53 -0.02 0.00 -0.55 0.00 0.00 41.25 39.93 1y13 s ASN 46 CO 0.24 0.09 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.83 1y13 s VAL 47 N 0.23 3.14 0.10 -5.21 1.01 0.30 -0.95 120.40 119.02 1y13 s VAL 47 Ca -0.06 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.38 1y13 s VAL 47 Cb -0.11 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1y13 s VAL 47 CO 0.02 0.53 -0.25 -0.94 0.00 0.00 0.00 175.10 174.46 1y13 s SER 48 N 0.21 3.07 -0.05 3.32 1.04 -0.43 -4.45 113.70 116.41 1y13 s SER 48 Ca -0.08 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.71 1y13 s SER 48 Cb -0.15 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1y13 s SER 48 CO 0.05 0.17 -0.15 -0.22 0.98 0.00 0.00 173.24 174.07 1y13 s LEU 49 N -1.77 1.83 -0.02 2.42 2.96 -0.78 -1.15 118.68 122.17 1y13 s LEU 49 Ca 0.12 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1y13 s LEU 49 Cb -0.10 -0.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 1y13 s LEU 49 CO 0.04 0.10 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.27 1y13 s LYS 50 N 0.29 1.36 0.00 1.98 2.20 0.14 -1.35 119.74 124.36 1y13 s LYS 50 Ca -0.09 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 1y13 s LYS 50 Cb -0.13 -1.28 -0.01 0.00 -1.51 0.00 0.00 37.83 34.89 1y13 s LYS 50 CO 0.03 0.31 -0.11 0.14 -0.36 0.00 0.00 175.35 175.37 1y13 s VAL 51 N -0.27 0.84 -0.19 4.02 -7.23 -0.61 -0.84 120.40 116.13 1y13 s VAL 51 Ca 0.04 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1y13 s VAL 51 Cb -0.07 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1y13 s VAL 51 CO -0.00 0.17 0.01 -0.60 -0.31 0.00 0.00 175.10 174.37 1y13 s ARG 52 N -0.43 3.72 0.00 4.82 3.52 -0.27 -1.86 118.95 128.46 1y13 s ARG 52 Ca 0.03 -0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1y13 s ARG 52 Cb -0.05 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1y13 s ARG 52 CO -0.00 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 1y13 n GLY 53 N 3.98 4.44 3.08 8.12 0.00 -0.01 -1.79 105.19 123.01 1y13 n GLY 53 Ca -0.17 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 1.00 0.64 -0.18 1.61 1.51 -1.26 -1.11 117.35 119.56 1y13 s TYR 54 Ca 0.00 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 55.05 1y13 s TYR 54 Cb 0.00 -0.40 -0.04 0.00 -0.11 0.00 0.00 41.96 41.42 1y13 s TYR 54 CO 0.00 -0.17 1.68 0.08 -1.11 0.00 0.00 175.55 176.03 1y13 s VAL 55 N -2.48 3.60 0.79 0.71 1.01 -1.26 -3.87 120.40 118.90 1y13 s VAL 55 Ca -0.02 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1y13 s VAL 55 Cb -0.02 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.93 1y13 s VAL 55 CO -0.03 -0.22 1.08 -0.13 0.00 0.00 0.00 175.10 175.80 1y13 s ARG 56 N 4.68 1.32 0.04 2.72 1.81 0.40 -4.90 118.95 125.02 1y13 s ARG 56 Ca 0.75 -1.10 0.11 0.00 -1.72 0.00 0.00 55.73 53.77 1y13 s ARG 56 Cb -0.28 -2.23 0.49 0.00 -0.45 0.00 0.00 34.95 32.48 1y13 s ARG 56 CO 0.30 -1.74 1.35 -0.40 -0.68 0.00 0.00 175.30 174.13 1y13 n ASP 57 N -3.07 0.08 -0.25 0.23 5.75 -1.26 -0.79 116.55 117.24 1y13 n ASP 57 Ca 0.17 0.53 0.14 0.00 -0.01 0.00 0.00 54.79 55.61 1y13 n ASP 57 Cb 0.60 -0.54 0.52 0.00 -1.03 0.00 0.00 41.12 40.67 1y13 n ASP 57 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1y13 n ASP 58 N -1.60 0.91 0.00 -1.12 5.68 -1.26 -4.95 116.55 114.21 1y13 n ASP 58 Ca 0.02 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1y13 n ASP 58 Cb 0.12 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.26 0.67 3.50 6.12 0.00 0.03 -5.07 105.19 111.69 1y13 n GLY 59 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.52 2.47 0.00 1.61 2.02 -1.25 -4.76 117.35 114.91 1y13 s TYR 60 Ca 0.00 -0.29 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 1y13 s TYR 60 Cb 0.00 -1.22 -0.18 0.00 -0.40 0.00 0.00 41.96 40.16 1y13 s TYR 60 CO 0.00 0.50 1.33 0.28 -1.57 0.00 0.00 175.55 176.09 1y13 h VAL 61 N 3.01 1.14 -1.96 0.71 2.07 -1.93 0.12 116.25 119.41 1y13 h VAL 61 Ca -0.47 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1y13 h VAL 61 Cb 1.20 1.67 -0.19 0.00 -1.52 0.00 0.00 31.29 32.45 1y13 h VAL 61 CO 0.51 0.20 0.32 -0.51 0.02 0.00 0.00 177.57 178.11 1y13 s ILE 62 N -4.66 0.00 0.25 4.57 2.07 -1.26 -4.72 121.20 117.45 1y13 s ILE 62 Ca -0.15 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.78 1y13 s ILE 62 Cb 0.02 -1.00 -0.12 0.00 0.13 0.00 0.00 42.46 41.50 1y13 s ILE 62 CO 0.64 0.00 1.67 -0.67 -1.91 0.00 0.00 174.94 174.66 1y13 n ASP 63 N 0.69 3.94 -0.35 4.50 -0.08 -1.26 -4.89 116.55 119.11 1y13 n ASP 63 Ca -0.16 1.10 0.06 0.00 -1.51 0.00 0.00 54.79 54.29 1y13 n ASP 63 Cb 0.58 -1.58 0.22 0.00 2.34 0.00 0.00 41.12 42.68 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 5.88 1.07 -0.30 -0.67 0.04 -2.01 -2.74 116.94 118.23 1y13 h PHE 64 Ca -0.45 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 1y13 h PHE 64 Cb 1.21 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1y13 h PHE 64 CO 0.61 0.42 0.09 0.66 -0.60 0.00 0.00 178.31 179.50 1y13 h SER 65 N 0.94 0.38 -0.52 2.17 4.64 -1.99 -1.06 113.55 118.10 1y13 h SER 65 Ca 0.48 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 1y13 h SER 65 Cb 0.47 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1y13 h SER 65 CO -0.27 0.37 0.05 0.40 -0.87 0.00 0.00 176.83 176.51 1y13 h ILE 66 N 0.42 1.26 -0.36 0.95 2.04 -1.87 -1.67 117.51 118.26 1y13 h ILE 66 Ca 0.10 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1y13 h ILE 66 Cb 0.13 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1y13 h ILE 66 CO -0.01 0.36 0.11 -0.07 0.00 0.00 0.00 178.15 178.55 1y13 h LEU 67 N 0.76 0.53 -0.40 1.44 3.38 -1.34 -1.97 115.31 117.72 1y13 h LEU 67 Ca 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1y13 h LEU 67 Cb 0.46 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1y13 h LEU 67 CO 0.02 0.60 0.21 0.11 0.09 0.00 0.00 178.44 179.47 1y13 h LYS 68 N 0.44 0.57 -0.76 1.13 1.57 -1.21 -1.62 116.57 116.68 1y13 h LYS 68 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1y13 h LYS 68 Cb 0.25 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1y13 h LYS 68 CO -0.00 0.47 0.42 1.49 -0.57 0.00 0.00 179.45 181.25 1y13 h GLU 69 N 0.52 1.06 -0.27 3.15 4.81 -1.20 -1.16 114.58 121.49 1y13 h GLU 69 Ca 0.14 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 1y13 h GLU 69 Cb 0.07 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1y13 h GLU 69 CO -0.02 0.79 -0.48 0.87 -0.73 0.00 0.00 179.01 179.44 1y13 h LYS 70 N 1.05 0.79 -0.32 1.92 1.79 -1.19 -2.29 116.57 118.33 1y13 h LYS 70 Ca 0.27 -0.50 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 1y13 h LYS 70 Cb 0.03 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1y13 h LYS 70 CO -0.04 1.13 0.17 0.28 -1.08 0.00 0.00 179.45 179.91 1y13 h VAL 71 N 0.55 1.13 -0.57 0.50 2.07 -1.19 -2.68 116.25 116.06 1y13 h VAL 71 Ca 0.02 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1y13 h VAL 71 Cb 1.08 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1y13 h VAL 71 CO 0.11 0.14 0.32 0.11 0.02 0.00 0.00 177.57 178.26 1y13 h LYS 72 N 0.40 0.59 -0.15 1.57 1.79 -1.15 -1.72 116.57 117.90 1y13 h LYS 72 Ca 0.11 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1y13 h LYS 72 Cb 0.06 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1y13 h LYS 72 CO -0.02 0.39 0.07 -0.22 -1.08 0.00 0.00 179.45 178.59 1y13 h LYS 73 N 0.61 0.14 -0.29 3.15 3.64 -1.28 0.72 116.57 123.26 1y13 h LYS 73 Ca 0.25 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 1y13 h LYS 73 Cb 0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1y13 h LYS 73 CO -0.14 0.09 -0.02 0.28 -2.27 0.00 0.00 179.45 177.39 1y13 h VAL 74 N 0.15 1.26 -0.58 2.00 2.07 -1.25 -2.84 116.25 117.06 1y13 h VAL 74 Ca 0.06 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.66 1y13 h VAL 74 Cb 0.02 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1y13 h VAL 74 CO -0.05 0.31 0.28 0.00 0.02 0.00 0.00 177.57 178.14 1y13 h ASN 76 N 0.53 0.58 -0.11 0.00 2.35 -0.63 -1.39 115.58 116.92 1y13 h ASN 76 Ca 0.27 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1y13 h ASN 76 Cb 0.21 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1y13 h ASN 76 CO -0.20 0.37 -0.26 0.11 -1.65 0.00 0.00 177.43 175.79 1y13 h LYS 77 N 0.65 0.56 0.04 0.81 1.57 -1.29 -3.20 116.57 115.71 1y13 h LYS 77 Ca 0.29 -0.22 -0.24 0.00 -1.87 0.00 0.00 60.65 58.61 1y13 h LYS 77 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1y13 h LYS 77 CO -0.09 0.78 -1.19 -0.07 -0.57 0.00 0.00 179.45 178.31 1y13 h LEU 78 N 0.49 0.14 -9.65 2.94 3.38 -1.34 -3.48 115.31 107.79 1y13 h LEU 78 Ca 0.07 -0.17 -0.58 0.00 0.09 0.00 0.00 57.88 57.29 1y13 h LEU 78 Cb 0.71 -0.05 0.10 0.00 0.09 0.00 0.00 40.66 41.52 1y13 h LEU 78 CO 0.05 1.13 0.44 -0.67 0.09 0.00 0.00 178.44 179.49 1y13 n ASP 79 N -3.37 2.41 -2.35 -0.43 2.03 -0.58 -3.51 116.55 110.74 1y13 n ASP 79 Ca -0.05 1.19 -0.13 0.00 0.52 0.00 0.00 54.79 56.31 1y13 n ASP 79 Cb 0.98 -1.42 0.05 0.00 -0.72 0.00 0.00 41.12 40.01 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 0.65 -1.61 -4.28 -0.67 8.25 -0.52 -4.91 115.22 112.14 1y13 n HIS 80 Ca 0.07 0.59 -0.15 0.00 -0.26 0.00 0.00 57.72 57.97 1y13 n HIS 80 Cb 0.34 -3.49 -0.10 0.00 1.12 0.00 0.00 29.99 27.86 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 -3.19 1.41 -0.09 4.41 3.76 -1.23 -4.97 115.29 115.38 1y13 s HIS 81 Ca 0.27 -1.28 -0.24 0.00 -0.15 0.00 0.00 55.06 53.65 1y13 s HIS 81 Cb -0.12 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.77 1y13 s HIS 81 CO 0.43 -0.47 0.76 0.12 -0.85 0.00 0.00 174.74 174.73 1y13 s PHE 82 N -3.89 3.54 -0.22 1.40 5.36 0.92 -1.19 117.98 123.90 1y13 s PHE 82 Ca 0.38 1.28 -0.25 0.00 -0.96 0.00 0.00 56.93 57.38 1y13 s PHE 82 Cb 0.07 -2.89 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1y13 s PHE 82 CO 0.14 -0.02 0.84 0.42 -1.46 0.00 0.00 175.22 175.14 1y13 s ILE 83 N 1.21 4.84 -0.27 3.12 1.01 0.12 -1.10 121.20 130.13 1y13 s ILE 83 Ca 0.39 1.61 -0.03 0.00 0.00 0.00 0.00 60.65 62.61 1y13 s ILE 83 Cb -0.18 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.18 1y13 s ILE 83 CO 0.17 -0.05 -0.01 -0.22 0.00 0.00 0.00 174.94 174.84 1y13 s LEU 84 N 2.64 3.45 -0.75 2.97 0.20 -0.33 -4.75 118.68 122.12 1y13 s LEU 84 Ca 0.36 -0.84 -0.24 0.00 0.69 0.00 0.00 54.13 54.10 1y13 s LEU 84 Cb -0.16 -1.74 0.05 0.00 -0.43 0.00 0.00 46.19 43.92 1y13 s LEU 84 CO 0.09 -0.16 1.17 -2.16 -0.29 0.00 0.00 176.35 175.00 1y13 s PRO 85 N 1.38 3.22 0.57 0.98 0.04 -1.26 -1.10 135.00 138.83 1y13 s PRO 85 Ca 0.01 -0.64 0.36 0.00 0.04 0.00 0.00 61.00 60.76 1y13 s PRO 85 Cb -0.17 -4.36 1.62 0.00 0.04 0.00 0.00 34.50 31.63 1y13 s PRO 85 CO -0.02 -2.01 2.08 -0.84 0.04 0.00 0.00 177.00 176.26 1y13 h ILE 86 N 6.07 0.07 -0.18 0.56 3.07 -1.32 -1.95 117.51 123.85 1y13 h ILE 86 Ca -0.21 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.78 1y13 h ILE 86 Cb 1.05 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.99 1y13 h ILE 86 CO 1.25 0.02 0.00 -1.22 -1.05 0.00 0.00 178.15 177.15 1y13 n TYR 87 N -3.15 0.23 -1.66 0.16 4.01 -0.88 -4.97 117.16 110.89 1y13 n TYR 87 Ca -0.01 -0.11 -0.46 0.00 -0.16 0.00 0.00 57.90 57.16 1y13 n TYR 87 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.22 2.71 -0.58 7.72 2.88 -0.73 -4.64 113.62 121.20 1y13 n SER 88 Ca 0.15 1.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.94 1y13 n SER 88 Cb 0.29 -1.40 0.44 0.00 -0.75 0.00 0.00 64.21 62.78 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 2.53 1.79 0.00 -3.46 5.75 -1.26 -4.24 116.55 117.65 1y13 n ASP 89 Ca 0.14 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 1y13 n ASP 89 Cb 0.30 -0.02 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 0.40 0.53 -4.45 2.12 0.24 -1.26 -5.04 118.33 110.86 1y13 n VAL 90 Ca 0.18 -0.55 -0.22 0.00 -2.04 0.00 0.00 64.34 61.71 1y13 n VAL 90 Cb 0.39 0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 33.40 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 -0.53 2.16 -0.07 1.34 1.43 -1.26 -3.48 118.68 118.27 1y13 s LEU 91 Ca 0.00 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1y13 s LEU 91 Cb 0.00 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 1y13 s LEU 91 CO 0.00 0.08 -0.16 -0.75 0.23 0.00 0.00 176.35 175.75 1y13 s LYS 92 N -1.07 2.77 0.02 1.70 2.20 -0.09 -4.86 119.74 120.41 1y13 s LYS 92 Ca 0.03 -0.73 0.09 0.00 -0.36 0.00 0.00 55.97 55.00 1y13 s LYS 92 Cb -0.08 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.80 1y13 s LYS 92 CO 0.01 0.46 -0.25 -0.06 -0.36 0.00 0.00 175.35 175.15 1y13 s PHE 93 N -0.31 2.35 -0.05 4.03 0.08 -1.26 -0.39 117.98 122.43 1y13 s PHE 93 Ca 0.02 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.63 1y13 s PHE 93 Cb -0.13 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 1y13 s PHE 93 CO 0.03 0.07 0.12 -1.21 -0.10 0.00 0.00 175.22 174.13 1y13 s GLU 94 N -1.01 0.12 -0.22 0.44 2.02 0.04 -4.96 118.70 115.13 1y13 s GLU 94 Ca 0.11 0.20 -0.23 0.00 0.02 0.00 0.00 54.97 55.07 1y13 s GLU 94 Cb -0.10 0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 1y13 s GLU 94 CO 0.01 -0.05 0.75 -0.80 0.02 0.00 0.00 175.26 175.20 1y13 s ASN 95 N 0.27 6.77 -0.22 -0.19 -0.87 -1.26 0.44 114.94 119.89 1y13 s ASN 95 Ca -0.02 0.95 0.01 0.00 -1.57 0.00 0.00 52.86 52.24 1y13 s ASN 95 Cb -0.03 -2.40 0.05 0.00 -0.02 0.00 0.00 41.25 38.85 1y13 s ASN 95 CO -0.01 -0.42 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.33 1y13 s VAL 96 N 2.46 1.62 0.00 1.60 1.01 0.37 -4.97 120.40 122.49 1y13 s VAL 96 Ca 0.32 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1y13 s VAL 96 Cb -0.16 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1y13 s VAL 96 CO 0.09 0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.52 1y13 n LYS 97 N 4.66 0.00 -0.51 2.72 4.76 -1.26 -0.93 118.16 127.61 1y13 n LYS 97 Ca -0.13 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.39 1y13 n LYS 97 Cb 0.45 0.00 0.30 0.00 -1.84 0.00 0.00 35.03 33.95 1y13 n LYS 97 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1y13 n ASN 98 N 7.77 4.05 -4.39 4.39 3.02 -1.26 -4.95 115.26 123.89 1y13 n ASN 98 Ca 0.00 -2.33 -0.30 0.00 -0.03 0.00 0.00 54.58 51.92 1y13 n ASN 98 Cb 0.00 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.52 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 -0.85 3.38 -0.20 6.41 -0.87 -0.11 -0.25 114.94 122.45 1y13 s ASN 99 Ca 0.44 -0.66 -0.09 0.00 -1.57 0.00 0.00 52.86 50.98 1y13 s ASN 99 Cb 0.27 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.25 41.15 1y13 s ASN 99 CO 0.22 0.21 0.12 -0.63 -2.57 0.00 0.00 177.10 174.45 1y13 s ILE 100 N -0.98 5.26 -0.13 0.60 1.01 0.99 -0.48 121.20 127.47 1y13 s ILE 100 Ca 0.14 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 1y13 s ILE 100 Cb -0.10 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1y13 s ILE 100 CO 0.05 0.44 0.04 -0.75 0.00 0.00 0.00 174.94 174.72 1y13 s LYS 101 N 0.39 3.45 -0.17 2.79 2.20 0.17 -1.49 119.74 127.09 1y13 s LYS 101 Ca 0.07 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 1y13 s LYS 101 Cb -0.11 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1y13 s LYS 101 CO -0.01 0.53 -0.19 0.42 -0.36 0.00 0.00 175.35 175.74 1y13 s ILE 102 N -0.38 2.27 -0.16 5.43 1.01 0.32 -0.78 121.20 128.91 1y13 s ILE 102 Ca 0.08 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1y13 s ILE 102 Cb -0.12 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 1y13 s ILE 102 CO 0.02 0.53 -0.14 -0.63 0.00 0.00 0.00 174.94 174.72 1y13 s ILE 103 N 1.07 2.79 0.56 2.92 1.09 0.47 -1.06 121.20 129.05 1y13 s ILE 103 Ca -0.01 -0.72 -0.04 0.00 -1.10 0.00 0.00 60.65 58.78 1y13 s ILE 103 Cb -0.14 -2.19 0.01 0.00 -1.06 0.00 0.00 42.46 39.07 1y13 s ILE 103 CO -0.06 0.50 0.85 0.00 -0.10 0.00 0.00 174.94 176.13 1y13 h GLU 105 N -0.05 0.82 -0.04 0.00 5.08 -1.88 0.16 114.58 118.67 1y13 h GLU 105 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1y13 h GLU 105 Cb 1.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1y13 h GLU 105 CO 0.59 0.54 0.00 -0.40 -1.00 0.00 0.00 179.01 178.74 1y13 n ASP 106 N -4.52 0.21 -0.12 1.42 5.68 -1.26 -4.90 116.55 113.07 1y13 n ASP 106 Ca 0.14 -1.94 -0.02 0.00 -0.50 0.00 0.00 54.79 52.48 1y13 n ASP 106 Cb 0.30 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 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 -0.41 -4.63 -4.81 -1.12 3.02 0.55 -5.01 115.26 102.85 1y13 n ASN 107 Ca 0.03 0.04 -0.33 0.00 -0.03 0.00 0.00 54.58 54.29 1y13 n ASN 107 Cb 0.04 -2.27 -0.02 0.00 -0.61 0.00 0.00 39.78 36.93 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 -2.12 6.18 0.01 6.41 1.04 -1.26 -4.78 113.70 119.18 1y13 s SER 108 Ca 0.00 1.78 0.05 0.00 0.48 0.00 0.00 55.95 58.26 1y13 s SER 108 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1y13 s SER 108 CO 0.00 -0.90 -0.14 -1.61 0.98 0.00 0.00 173.24 171.57 1y13 s GLU 109 N -3.82 1.06 0.15 4.02 2.02 -1.26 -1.03 118.70 119.84 1y13 s GLU 109 Ca 0.63 -0.64 0.09 0.00 0.02 0.00 0.00 54.97 55.08 1y13 s GLU 109 Cb -0.14 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 1y13 s GLU 109 CO 0.30 0.27 -0.21 0.71 0.02 0.00 0.00 175.26 176.35 1y13 s TYR 110 N -0.58 1.99 -0.06 1.61 1.51 -0.23 -4.98 117.35 116.61 1y13 s TYR 110 Ca 0.04 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1y13 s TYR 110 Cb -0.07 -1.02 0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1y13 s TYR 110 CO 0.00 0.35 0.12 0.45 -1.11 0.00 0.00 175.55 175.36 1y13 s SER 111 N -2.42 0.56 0.09 2.29 0.15 -1.26 -0.52 113.70 112.58 1y13 s SER 111 Ca 0.15 0.24 0.05 0.00 0.70 0.00 0.00 55.95 57.09 1y13 s SER 111 Cb -0.08 0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1y13 s SER 111 CO 0.07 -0.21 -0.15 -0.36 1.20 0.00 0.00 173.24 173.79 1y13 s PHE 112 N 1.88 1.30 0.31 3.44 0.08 -0.55 -4.97 117.98 119.47 1y13 s PHE 112 Ca -0.01 -0.49 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 1y13 s PHE 112 Cb -0.12 -0.72 -0.12 0.00 -0.57 0.00 0.00 43.02 41.49 1y13 s PHE 112 CO -0.05 0.09 1.36 -2.30 -0.10 0.00 0.00 175.22 174.22 1y13 n PRO 113 N 1.07 2.19 -0.33 0.24 -0.02 -1.26 -0.01 135.00 136.88 1y13 n PRO 113 Ca -0.20 0.77 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1y13 n PRO 113 Cb 0.55 -2.40 0.26 0.00 -0.02 0.00 0.00 33.50 31.89 1y13 n PRO 113 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1y13 h GLU 114 N 3.22 0.93 0.00 -0.52 4.11 -0.91 -0.49 114.58 120.91 1y13 h GLU 114 Ca -0.46 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.91 1y13 h GLU 114 Cb 1.27 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1y13 h GLU 114 CO 0.68 0.61 0.00 2.89 0.07 0.00 0.00 179.01 183.26 1y13 n ARG 115 N -4.56 0.14 0.09 1.06 1.85 -1.26 -1.83 116.66 112.13 1y13 n ARG 115 Ca 0.17 0.44 0.13 0.00 -1.00 0.00 0.00 57.85 57.59 1y13 n ARG 115 Cb 0.33 -1.80 0.45 0.00 -1.05 0.00 0.00 32.46 30.39 1y13 n ARG 115 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1y13 n ASP 116 N -2.07 0.62 -4.78 2.89 9.92 -0.19 -4.87 116.55 118.07 1y13 n ASP 116 Ca 0.02 0.57 -0.35 0.00 -0.53 0.00 0.00 54.79 54.50 1y13 n ASP 116 Cb 0.17 -0.73 -0.08 0.00 -0.64 0.00 0.00 41.12 39.84 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 -1.03 2.77 -0.36 0.00 2.07 -0.26 -4.89 121.20 119.51 1y13 s ILE 118 Ca 0.17 -0.70 -0.23 0.00 -1.41 0.00 0.00 60.65 58.48 1y13 s ILE 118 Cb -0.12 -2.22 0.01 0.00 0.13 0.00 0.00 42.46 40.26 1y13 s ILE 118 CO 0.06 0.48 0.77 -0.54 -1.91 0.00 0.00 174.94 173.80 1y13 s LYS 119 N 1.29 3.74 -0.06 3.50 1.02 -1.26 -1.18 119.74 126.79 1y13 s LYS 119 Ca 0.04 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.31 1y13 s LYS 119 Cb -0.14 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1y13 s LYS 119 CO -0.06 -0.84 -0.03 -0.51 -0.92 0.00 0.00 175.35 172.99 1y13 s LEU 120 N 3.05 3.38 -1.32 3.17 1.43 -0.26 -4.95 118.68 123.18 1y13 s LEU 120 Ca 0.30 0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 1y13 s LEU 120 Cb -0.13 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1y13 s LEU 120 CO 0.17 0.35 2.05 -0.81 0.23 0.00 0.00 176.35 178.34 1y13 n PRO 121 N 2.04 2.72 -4.03 1.29 -0.04 -1.26 -1.87 135.00 133.86 1y13 n PRO 121 Ca -0.18 -2.69 -0.08 0.00 -0.04 0.00 0.00 63.50 60.51 1y13 n PRO 121 Cb 0.53 -3.32 -0.11 0.00 -0.04 0.00 0.00 33.50 30.56 1y13 n PRO 121 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1y13 s ILE 122 N 4.08 0.18 0.05 0.52 -4.36 -1.26 -4.93 121.20 115.47 1y13 s ILE 122 Ca 0.51 -1.25 -0.02 0.00 -0.26 0.00 0.00 60.65 59.63 1y13 s ILE 122 Cb 0.11 -0.74 -0.27 0.00 1.25 0.00 0.00 42.46 42.80 1y13 s ILE 122 CO -0.01 -0.68 1.02 0.11 0.24 0.00 0.00 174.94 175.62 1y13 h LYS 123 N 4.09 0.22 -4.23 0.37 1.57 -1.87 -2.33 116.57 114.38 1y13 h LYS 123 Ca -0.33 -0.38 -0.25 0.00 -1.87 0.00 0.00 60.65 57.82 1y13 h LYS 123 Cb 1.18 0.14 -0.24 0.00 0.08 0.00 0.00 32.23 33.40 1y13 h LYS 123 CO 0.50 1.12 -0.73 -1.01 -0.57 0.00 0.00 179.45 178.77 1y13 s HIS 124 N -2.64 0.42 -0.20 -1.35 3.76 -1.26 -3.61 115.29 110.41 1y13 s HIS 124 Ca -0.06 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1y13 s HIS 124 Cb 0.07 -0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.51 1y13 s HIS 124 CO 0.86 -0.08 2.56 -1.13 -0.85 0.00 0.00 174.74 176.10 1y13 n SER 125 N 2.04 5.91 -4.87 1.40 3.41 -1.26 -4.59 113.62 115.67 1y13 n SER 125 Ca -0.19 -2.80 -0.30 0.00 -0.26 0.00 0.00 58.87 55.31 1y13 n SER 125 Cb 0.56 -1.20 -0.00 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 1.09 6.34 0.31 4.04 1.04 -1.26 -4.86 113.70 120.40 1y13 s SER 126 Ca 0.38 1.33 0.02 0.00 0.48 0.00 0.00 55.95 58.16 1y13 s SER 126 Cb 0.23 -2.42 0.52 0.00 0.10 0.00 0.00 66.02 64.45 1y13 s SER 126 CO -0.05 -0.71 1.85 0.74 0.98 0.00 0.00 173.24 176.05 1y13 h THR 127 N 0.17 1.21 -0.24 2.02 2.02 -1.95 -0.92 112.91 115.22 1y13 h THR 127 Ca -0.45 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1y13 h THR 127 Cb 1.19 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1y13 h THR 127 CO 0.62 0.28 0.15 -0.33 0.37 0.00 0.00 175.52 176.61 1y13 h GLU 128 N 0.62 0.33 -0.00 6.66 3.07 -1.93 -0.71 114.58 122.62 1y13 h GLU 128 Ca 0.13 -0.03 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 1y13 h GLU 128 Cb 0.32 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1y13 h GLU 128 CO 0.01 0.27 -0.92 0.93 -1.40 0.00 0.00 179.01 177.90 1y13 h GLU 129 N 0.30 0.36 -0.41 2.33 5.08 -1.73 -1.36 114.58 119.15 1y13 h GLU 129 Ca 0.09 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1y13 h GLU 129 Cb 0.02 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1y13 h GLU 129 CO -0.02 1.06 0.26 0.82 -1.00 0.00 0.00 179.01 180.14 1y13 h ILE 130 N 0.20 1.12 -0.68 3.13 2.04 -1.21 -1.98 117.51 120.13 1y13 h ILE 130 Ca -0.07 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1y13 h ILE 130 Cb 1.55 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 38.11 1y13 h ILE 130 CO 0.15 0.11 0.38 1.23 0.00 0.00 0.00 178.15 180.03 1y13 h GLY 131 N 0.55 1.00 0.81 5.37 0.00 -0.95 -0.02 103.07 109.81 1y13 h GLY 131 Ca 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1y13 h GLY 131 CO -0.03 0.16 0.26 1.46 0.00 0.00 0.00 176.54 178.39 1y13 h GLN 132 N 0.70 0.50 0.03 4.80 4.20 -1.11 0.00 115.11 124.23 1y13 h GLN 132 Ca 0.30 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.00 1y13 h GLN 132 Cb 0.19 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1y13 h GLN 132 CO -0.18 0.33 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.28 1y13 h TYR 133 N 0.51 -0.27 -1.00 2.96 3.20 -0.82 -2.30 116.97 119.26 1y13 h TYR 133 Ca 0.20 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1y13 h TYR 133 Cb 0.08 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1y13 h TYR 133 CO -0.09 -0.16 0.65 0.82 -1.64 0.00 0.00 178.16 177.75 1y13 h ILE 134 N -0.19 1.18 0.02 1.81 2.04 -0.81 -1.39 117.51 120.18 1y13 h ILE 134 Ca 0.03 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1y13 h ILE 134 Cb 0.23 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 1y13 h ILE 134 CO -0.09 0.23 -0.01 0.25 0.00 0.00 0.00 178.15 178.53 1y13 h LEU 135 N 1.27 -0.03 -0.12 1.44 5.85 -0.82 0.88 115.31 123.78 1y13 h LEU 135 Ca 0.39 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.05 1y13 h LEU 135 Cb -0.02 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1y13 h LEU 135 CO -0.12 0.07 0.01 0.78 -0.34 0.00 0.00 178.44 178.84 1y13 h ASN 136 N -0.12 -0.02 -0.57 1.25 2.35 -1.15 -0.53 115.58 116.79 1y13 h ASN 136 Ca -0.00 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1y13 h ASN 136 Cb 0.11 0.04 -0.09 0.00 0.05 0.00 0.00 38.32 38.43 1y13 h ASN 136 CO 0.01 0.01 0.07 1.56 -1.65 0.00 0.00 177.43 177.43 1y13 h GLN 137 N 0.06 0.19 -0.71 0.81 1.08 -1.00 -1.46 115.11 114.07 1y13 h GLN 137 Ca 0.06 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1y13 h GLN 137 Cb 0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1y13 h GLN 137 CO -0.09 0.13 0.17 -0.07 -0.95 0.00 0.00 178.83 178.02 1y13 h LEU 138 N 0.20 1.09 -1.23 1.46 3.38 -0.49 0.28 115.31 119.99 1y13 h LEU 138 Ca 0.29 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1y13 h LEU 138 Cb 0.44 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1y13 h LEU 138 CO -0.42 1.04 0.54 0.40 0.09 0.00 0.00 178.44 180.09 1y13 h ILE 139 N 1.09 1.11 -0.05 1.22 2.04 -0.49 -2.67 117.51 119.75 1y13 h ILE 139 Ca 0.22 -0.34 -0.21 0.00 1.00 0.00 0.00 64.86 65.54 1y13 h ILE 139 Cb 0.38 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1y13 h ILE 139 CO 0.00 0.18 -0.78 -0.33 0.00 0.00 0.00 178.15 177.22 1y13 h GLU 140 N 0.99 0.62 -0.41 2.37 5.08 -0.44 -2.73 114.58 120.06 1y13 h GLU 140 Ca 0.33 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1y13 h GLU 140 Cb 0.08 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1y13 h GLU 140 CO -0.10 1.21 0.00 0.39 -1.00 0.00 0.00 179.01 179.51 1y13 n GLU 141 N -4.03 0.03 -3.16 2.33 -0.58 0.01 -4.65 120.64 110.59 1y13 n GLU 141 Ca -0.10 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.70 1y13 n GLU 141 Cb 0.75 -1.11 -0.02 0.00 -0.57 0.00 0.00 31.44 30.49 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 -0.58 -0.38 0.47 1.62 -1.08 -1.03 -5.07 116.67 110.61 1y13 s ASP 143 Ca 0.00 0.26 0.28 0.00 -0.52 0.00 0.00 52.55 52.57 1y13 s ASP 143 Cb 0.00 1.33 1.34 0.00 -1.46 0.00 0.00 42.92 44.13 1y13 s ASP 143 CO 0.00 -0.07 1.76 -0.37 0.52 0.00 0.00 175.17 177.01 1y13 h VAL 144 N 5.28 0.41 0.04 1.11 -1.51 -1.82 -1.86 116.25 117.89 1y13 h VAL 144 Ca -0.13 -0.06 -0.24 0.00 -1.23 0.00 0.00 66.70 65.04 1y13 h VAL 144 Cb 1.17 0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 1y13 h VAL 144 CO -0.11 0.03 -1.15 0.77 -1.23 0.00 0.00 177.57 175.88 1y13 h SER 145 N 0.19 0.13 0.10 4.19 4.64 -1.98 -1.83 113.55 118.98 1y13 h SER 145 Ca 0.62 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1y13 h SER 145 Cb 2.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1y13 h SER 145 CO -0.19 1.12 -0.05 0.25 -0.87 0.00 0.00 176.83 177.09 1y13 h LEU 146 N 0.02 -0.11 -0.72 5.97 5.85 -1.79 -0.91 115.31 123.63 1y13 h LEU 146 Ca -0.08 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1y13 h LEU 146 Cb 1.86 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 1y13 h LEU 146 CO 0.15 -0.07 0.43 -0.07 -0.34 0.00 0.00 178.44 178.54 1y13 h LEU 147 N -0.14 0.68 -0.87 2.25 3.38 -1.45 -2.14 115.31 117.02 1y13 h LEU 147 Ca -0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1y13 h LEU 147 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1y13 h LEU 147 CO 0.02 0.45 -0.05 0.11 0.09 0.00 0.00 178.44 179.06 1y13 h LYS 148 N 0.81 0.78 -0.04 1.13 1.79 -1.23 -0.21 116.57 119.61 1y13 h LYS 148 Ca 0.31 -0.23 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1y13 h LYS 148 Cb 0.11 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1y13 h LYS 148 CO -0.15 0.82 -0.33 0.66 -1.08 0.00 0.00 179.45 179.38 1y13 h SER 149 N 0.72 0.07 0.27 0.86 4.64 -0.53 -1.66 113.55 117.91 1y13 h SER 149 Ca 0.13 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1y13 h SER 149 Cb 0.52 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1y13 h SER 149 CO 0.03 0.40 -0.18 0.54 -0.87 0.00 0.00 176.83 176.75 1y13 n ARG 150 N -4.13 0.84 -2.11 4.77 1.74 -0.94 -4.95 116.66 111.89 1y13 n ARG 150 Ca -0.02 -0.42 -0.09 0.00 -0.77 0.00 0.00 57.85 56.56 1y13 n ARG 150 Cb 0.39 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.71 -0.39 -2.59 -1.55 8.25 -0.62 -4.47 115.22 113.12 1y13 n HIS 151 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1y13 n HIS 151 Cb 0.32 -2.23 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 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 -2.44 4.55 0.00 1.59 1.01 -0.17 -4.45 121.20 121.30 1y13 s ILE 152 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1y13 s ILE 152 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1y13 s ILE 152 CO 0.00 0.07 0.34 0.00 0.00 0.00 0.00 174.94 175.35 1y13 n HIS 153 N 4.53 0.00 -3.68 3.97 1.44 -0.74 -4.48 115.22 116.26 1y13 n HIS 153 Ca 0.08 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.69 1y13 n HIS 153 Cb 0.48 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.50 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 -0.69 -0.02 -1.40 5.04 -1.23 -0.05 117.35 118.75 1y13 s TYR 154 Ca 0.00 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.17 1y13 s TYR 154 Cb 0.00 0.32 -0.00 0.00 0.35 0.00 0.00 41.96 42.62 1y13 s TYR 154 CO 0.00 -0.36 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.26 1y13 s ILE 155 N 1.00 0.77 -0.04 3.14 2.07 -0.43 -1.11 121.20 126.60 1y13 s ILE 155 Ca -0.06 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 58.80 1y13 s ILE 155 Cb -0.06 -0.66 0.02 0.00 0.13 0.00 0.00 42.46 41.90 1y13 s ILE 155 CO -0.09 0.23 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.45 1y13 s GLU 156 N -0.04 0.56 0.03 3.50 2.12 -0.02 -0.91 118.70 123.94 1y13 s GLU 156 Ca 0.01 -0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.40 1y13 s GLU 156 Cb -0.06 -0.68 -0.03 0.00 0.26 0.00 0.00 34.13 33.62 1y13 s GLU 156 CO -0.00 -0.13 -0.16 0.96 -0.54 0.00 0.00 175.26 175.39 1y13 s ILE 157 N 1.06 2.91 -0.13 -3.70 -4.36 -0.38 -0.69 121.20 115.92 1y13 s ILE 157 Ca -0.09 -1.12 -0.05 0.00 -0.26 0.00 0.00 60.65 59.14 1y13 s ILE 157 Cb -0.14 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1y13 s ILE 157 CO -0.01 0.35 0.03 -0.44 0.24 0.00 0.00 174.94 175.12 1y13 s SER 158 N -1.41 5.47 -0.19 4.36 0.01 -0.30 -1.58 113.70 120.06 1y13 s SER 158 Ca 0.15 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1y13 s SER 158 Cb -0.11 -1.75 0.03 0.00 0.21 0.00 0.00 66.02 64.41 1y13 s SER 158 CO 0.05 0.30 -0.16 -0.69 0.41 0.00 0.00 173.24 173.15 1y13 s VAL 159 N -0.37 1.93 -0.09 3.43 1.01 0.47 -1.32 120.40 125.46 1y13 s VAL 159 Ca 0.08 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1y13 s VAL 159 Cb -0.12 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1y13 s VAL 159 CO 0.02 0.35 0.28 -0.94 0.00 0.00 0.00 175.10 174.80 1y13 s SER 160 N 1.30 6.55 0.14 3.32 1.04 -0.13 -0.80 113.70 125.12 1y13 s SER 160 Ca 0.01 0.65 0.23 0.00 0.48 0.00 0.00 55.95 57.32 1y13 s SER 160 Cb -0.15 -2.17 0.16 0.00 0.10 0.00 0.00 66.02 63.97 1y13 s SER 160 CO -0.10 0.29 1.16 -1.84 0.98 0.00 0.00 173.24 173.73 1y13 n GLU 161 N 2.40 0.41 -3.91 4.02 0.28 -0.82 -1.54 120.64 121.47 1y13 n GLU 161 Ca -0.15 0.08 -0.09 0.00 -0.16 0.00 0.00 57.16 56.84 1y13 n GLU 161 Cb 0.53 -1.72 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 1y13 n GLU 161 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1y13 s SER 162 N -4.58 0.01 0.09 -1.84 1.04 -1.23 -4.22 113.70 102.96 1y13 s SER 162 Ca 0.03 -0.96 0.10 0.00 0.48 0.00 0.00 55.95 55.60 1y13 s SER 162 Cb 0.12 0.72 0.47 0.00 0.10 0.00 0.00 66.02 67.43 1y13 s SER 162 CO 0.76 -1.38 1.31 -2.65 0.98 0.00 0.00 173.24 172.26 1y13 n PRO 163 N -0.47 0.05 0.00 4.02 -0.02 -1.26 -3.08 135.00 134.23 1y13 n PRO 163 Ca -0.04 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1y13 n PRO 163 Cb 0.60 -1.62 -0.09 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.71 0.00 -3.75 3.45 -2.24 -1.26 -4.98 114.28 103.78 1y13 n THR 164 Ca 0.01 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1y13 n THR 164 Cb 0.07 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.50 0.08 0.05 -0.78 -2.07 -1.18 -5.12 119.66 108.14 1y13 s GLN 165 Ca 0.07 0.34 -0.10 0.00 -1.82 0.00 0.00 55.36 53.85 1y13 s GLN 165 Cb 0.12 -0.18 0.01 0.00 -1.09 0.00 0.00 33.01 31.87 1y13 s GLN 165 CO 0.65 -0.16 0.21 -1.59 -1.32 0.00 0.00 175.29 173.09 1y13 s LYS 166 N 1.12 0.74 0.07 9.60 -2.85 -1.26 -1.95 119.74 125.21 1y13 s LYS 166 Ca -0.09 -0.66 0.07 0.00 -1.00 0.00 0.00 55.97 54.29 1y13 s LYS 166 Cb -0.11 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1y13 s LYS 166 CO -0.05 -0.22 -0.12 0.00 0.10 0.00 0.00 175.35 175.05 1y13 s ALA 167 N -2.76 2.85 -0.13 0.59 0.00 0.02 -4.97 121.76 117.36 1y13 s ALA 167 Ca -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1y13 s ALA 167 Cb -0.00 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.27 1y13 s ALA 167 CO -0.05 0.62 -0.06 0.42 0.00 0.00 0.00 175.76 176.69 1y13 s ILE 168 N -1.10 1.02 0.22 0.00 1.09 -1.26 -0.39 121.20 120.77 1y13 s ILE 168 Ca 0.19 -0.41 0.11 0.00 -1.10 0.00 0.00 60.65 59.44 1y13 s ILE 168 Cb -0.11 -1.11 -0.05 0.00 -1.06 0.00 0.00 42.46 40.13 1y13 s ILE 168 CO 0.10 0.26 -0.20 0.68 -0.10 0.00 0.00 174.94 175.68 1y13 s VAL 169 N 1.70 2.52 0.19 2.92 -7.23 -0.61 -5.01 120.40 114.89 1y13 s VAL 169 Ca 0.03 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 1y13 s VAL 169 Cb -0.14 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1y13 s VAL 169 CO -0.08 -0.20 0.31 -1.38 -0.31 0.00 0.00 175.10 173.44 1y13 s HIS 170 N -1.93 0.51 -0.11 2.82 -3.43 -1.26 -1.24 115.29 110.64 1y13 s HIS 170 Ca 0.24 -0.85 -0.06 0.00 -0.80 0.00 0.00 55.06 53.60 1y13 s HIS 170 Cb -0.07 -0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.06 1y13 s HIS 170 CO 0.12 -0.78 0.26 0.21 -2.00 0.00 0.00 174.74 172.55 1y13 s LYS 171 N -4.01 0.23 -0.12 -0.38 2.20 -0.09 -5.00 119.74 112.56 1y13 s LYS 171 Ca 0.22 0.54 -0.25 0.00 -0.36 0.00 0.00 55.97 56.12 1y13 s LYS 171 Cb 0.03 -0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.22 1y13 s LYS 171 CO 0.04 -0.16 0.82 0.71 -0.36 0.00 0.00 175.35 176.40 1y13 s TYR 172 N 1.22 3.49 0.00 4.03 2.02 -1.26 -1.31 117.35 125.54 1y13 s TYR 172 Ca -0.09 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.92 1y13 s TYR 172 Cb -0.10 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 1y13 s TYR 172 CO -0.08 -0.13 0.21 0.44 -1.57 0.00 0.00 175.55 174.42