#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3g s ASP 4 N 0.00 7.12 -0.30 1.61 1.01 -1.26 -5.03 116.67 119.81 1x3g s ASP 4 Ca 0.00 1.44 -0.27 0.00 0.71 0.00 0.00 52.55 54.43 1x3g s ASP 4 Cb 0.00 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1x3g s ASP 4 CO 0.00 0.10 0.96 -0.89 0.21 0.00 0.00 175.17 175.54 1x3g s THR 5 N -1.40 4.65 0.24 -1.27 2.01 -1.26 -5.04 115.64 113.56 1x3g s THR 5 Ca 0.40 1.57 0.09 0.00 0.31 0.00 0.00 61.69 64.06 1x3g s THR 5 Cb -0.18 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1x3g s THR 5 CO 0.22 -0.34 -0.03 0.42 -0.69 0.00 0.00 174.62 174.20 1x3g s THR 6 N 3.30 3.39 0.03 -0.82 -4.23 -1.26 -1.84 115.64 114.21 1x3g s THR 6 Ca 0.40 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 1x3g s THR 6 Cb -0.13 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 1x3g s THR 6 CO 0.13 -0.30 0.10 0.27 -0.54 0.00 0.00 174.62 174.28 1x3g s ILE 7 N -2.14 0.12 -0.08 2.99 -4.36 -0.95 -4.93 121.20 111.84 1x3g s ILE 7 Ca 0.30 -0.97 -0.02 0.00 -0.26 0.00 0.00 60.65 59.70 1x3g s ILE 7 Cb -0.07 -0.74 -0.03 0.00 1.25 0.00 0.00 42.46 42.86 1x3g s ILE 7 CO 0.19 -0.54 0.00 -0.89 0.24 0.00 0.00 174.94 173.94 1x3g s THR 8 N -2.23 4.32 -0.02 8.37 2.01 -1.26 -2.09 115.64 124.73 1x3g s THR 8 Ca -0.08 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1x3g s THR 8 Cb -0.03 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 69.69 1x3g s THR 8 CO -0.03 0.60 0.04 -0.69 -0.69 0.00 0.00 174.62 173.85 1x3g s VAL 9 N -0.89 -0.06 -0.10 3.82 1.01 0.17 -5.00 120.40 119.36 1x3g s VAL 9 Ca 0.13 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 1x3g s VAL 9 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1x3g s VAL 9 CO 0.03 0.09 -0.07 -0.69 0.00 0.00 0.00 175.10 174.45 1x3g s VAL 10 N 1.09 3.67 -1.74 2.92 1.01 -1.26 -0.44 120.40 125.64 1x3g s VAL 10 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1x3g s VAL 10 Cb -0.13 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1x3g s VAL 10 CO -0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1x3g n GLY 11 N 2.72 -1.43 3.67 4.51 0.00 -1.06 -4.50 105.19 109.09 1x3g n GLY 11 Ca -0.18 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1x3g n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x3g s ASN 12 N -2.72 4.95 0.35 1.61 -0.87 -0.15 -0.65 114.94 117.46 1x3g s ASN 12 Ca 0.00 -0.16 -0.26 0.00 -1.57 0.00 0.00 52.86 50.87 1x3g s ASN 12 Cb 0.00 -1.18 -0.09 0.00 -0.02 0.00 0.00 41.25 39.96 1x3g s ASN 12 CO 0.00 0.21 1.08 -0.76 -2.57 0.00 0.00 177.10 175.06 1x3g s LEU 13 N -2.07 4.31 0.00 0.60 1.43 -0.47 -1.26 118.68 121.22 1x3g s LEU 13 Ca 0.23 2.16 0.25 0.00 -1.03 0.00 0.00 54.13 55.75 1x3g s LEU 13 Cb -0.12 -3.94 0.54 0.00 0.03 0.00 0.00 46.19 42.70 1x3g s LEU 13 CO 0.15 -0.37 1.43 0.35 0.23 0.00 0.00 176.35 178.14 1x3g n THR 14 N 0.45 0.00 -3.64 5.49 -2.24 -0.89 -0.30 114.28 113.14 1x3g n THR 14 Ca 0.02 -0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1x3g n THR 14 Cb 0.47 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 1x3g n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x3g s ALA 15 N -2.73 -2.13 0.23 6.98 0.00 -1.26 -4.81 121.76 118.03 1x3g s ALA 15 Ca 0.18 1.79 -0.20 0.00 0.00 0.00 0.00 51.96 53.73 1x3g s ALA 15 Cb 0.18 -1.64 -0.13 0.00 0.00 0.00 0.00 23.12 21.53 1x3g s ALA 15 CO 0.62 -0.17 0.27 -0.25 0.00 0.00 0.00 175.76 176.22 1x3g n ASP 16 N 1.99 -1.52 -4.72 0.00 8.00 -1.26 -4.54 116.55 114.49 1x3g n ASP 16 Ca -0.12 0.79 -0.33 0.00 0.71 0.00 0.00 54.79 55.84 1x3g n ASP 16 Cb 0.56 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 41.04 1x3g n ASP 16 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1x3g s PRO 17 N -0.79 1.94 -0.76 -0.24 0.02 -1.26 -4.89 135.00 129.01 1x3g s PRO 17 Ca 0.49 1.63 0.02 0.00 0.02 0.00 0.00 61.00 63.16 1x3g s PRO 17 Cb -0.64 -1.82 0.19 0.00 0.02 0.00 0.00 34.50 32.24 1x3g s PRO 17 CO 0.47 -1.96 0.59 -2.00 -0.33 0.00 0.00 177.00 173.77 1x3g s GLU 18 N -4.19 2.76 0.34 5.54 2.12 -0.86 -4.96 118.70 119.46 1x3g s GLU 18 Ca 0.71 -3.23 -0.28 0.00 0.36 0.00 0.00 54.97 52.52 1x3g s GLU 18 Cb -0.26 -3.65 -0.10 0.00 0.26 0.00 0.00 34.13 30.38 1x3g s GLU 18 CO 0.49 -1.26 1.31 -1.17 -0.54 0.00 0.00 175.26 174.09 1x3g s LEU 19 N -1.27 4.39 0.04 2.70 2.96 -1.26 -3.39 118.68 122.86 1x3g s LEU 19 Ca 0.25 2.70 -0.08 0.00 -0.22 0.00 0.00 54.13 56.78 1x3g s LEU 19 Cb -0.08 -3.69 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 1x3g s LEU 19 CO -0.13 -0.59 0.16 -0.13 -1.32 0.00 0.00 176.35 174.33 1x3g s ARG 20 N -1.87 0.67 -0.11 1.98 1.81 -0.63 -5.01 118.95 115.79 1x3g s ARG 20 Ca 0.50 -0.72 0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1x3g s ARG 20 Cb -0.40 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.36 1x3g s ARG 20 CO 0.53 -0.19 -0.14 -0.06 -0.68 0.00 0.00 175.30 174.76 1x3g s PHE 21 N -2.74 2.78 0.40 -0.53 0.40 -1.26 -1.03 117.98 116.00 1x3g s PHE 21 Ca -0.04 -0.56 -0.24 0.00 -0.60 0.00 0.00 56.93 55.49 1x3g s PHE 21 Cb -0.00 -1.80 -0.09 0.00 0.51 0.00 0.00 43.02 41.64 1x3g s PHE 21 CO -0.05 -0.14 1.07 0.95 0.70 0.00 0.00 175.22 177.75 1x3g s THR 22 N 0.13 3.63 -1.32 0.64 -4.23 0.65 -4.91 115.64 110.23 1x3g s THR 22 Ca -0.07 1.27 0.03 0.00 -1.18 0.00 0.00 61.69 61.74 1x3g s THR 22 Cb -0.15 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1x3g s THR 22 CO 0.05 0.03 0.96 -0.81 -0.54 0.00 0.00 174.62 174.30 1x3g n PRO 23 N -0.03 0.03 -0.15 3.99 -0.04 -1.26 -0.66 135.00 136.88 1x3g n PRO 23 Ca 0.05 0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.88 1x3g n PRO 23 Cb 0.49 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.65 1x3g n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x3g n SER 24 N -1.34 1.74 0.00 3.54 7.64 -1.26 -4.93 113.62 119.01 1x3g n SER 24 Ca 0.01 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1x3g n SER 24 Cb 0.03 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1x3g n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x3g n GLY 25 N 1.05 0.88 3.85 0.23 0.00 0.16 -5.04 105.19 106.32 1x3g n GLY 25 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1x3g n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3g s ALA 26 N -3.57 3.49 0.01 4.61 0.00 -1.24 -4.87 121.76 120.19 1x3g s ALA 26 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1x3g s ALA 26 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1x3g s ALA 26 CO 0.00 0.42 0.04 0.00 0.00 0.00 0.00 175.76 176.23 1x3g s ALA 27 N -1.72 3.44 -0.01 0.00 0.00 -1.26 -0.26 121.76 121.95 1x3g s ALA 27 Ca 0.46 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1x3g s ALA 27 Cb -0.13 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1x3g s ALA 27 CO 0.20 0.68 -0.02 0.08 0.00 0.00 0.00 175.76 176.69 1x3g s VAL 28 N -1.17 0.22 -0.07 0.00 1.01 -0.20 -0.91 120.40 119.28 1x3g s VAL 28 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1x3g s VAL 28 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1x3g s VAL 28 CO 0.13 0.09 -0.22 0.00 0.00 0.00 0.00 175.10 175.10 1x3g s ALA 29 N 0.23 2.29 -0.07 5.51 0.00 -0.52 -1.61 121.76 127.58 1x3g s ALA 29 Ca -0.02 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1x3g s ALA 29 Cb -0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1x3g s ALA 29 CO -0.01 0.40 -0.21 -0.80 0.00 0.00 0.00 175.76 175.15 1x3g s ASN 30 N -0.11 2.68 -0.10 0.00 -0.87 -1.22 -2.00 114.94 113.32 1x3g s ASN 30 Ca -0.04 -0.46 -0.26 0.00 -1.57 0.00 0.00 52.86 50.53 1x3g s ASN 30 Cb -0.14 -1.04 0.06 0.00 -0.02 0.00 0.00 41.25 40.11 1x3g s ASN 30 CO 0.04 0.15 0.61 0.72 -2.57 0.00 0.00 177.10 176.05 1x3g s PHE 31 N 0.24 -0.59 -0.09 2.20 -0.71 -0.91 -2.02 117.98 116.09 1x3g s PHE 31 Ca -0.12 1.16 0.01 0.00 -1.04 0.00 0.00 56.93 56.94 1x3g s PHE 31 Cb -0.16 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1x3g s PHE 31 CO 0.06 -0.49 -0.11 0.95 -1.34 0.00 0.00 175.22 174.28 1x3g s THR 32 N -0.75 3.28 -0.05 -4.49 -4.23 -1.26 -1.05 115.64 107.08 1x3g s THR 32 Ca -0.08 -0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1x3g s THR 32 Cb -0.02 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 1x3g s THR 32 CO 0.06 0.56 0.45 -0.69 -0.54 0.00 0.00 174.62 174.46 1x3g s VAL 33 N -0.30 5.07 -0.22 2.29 1.01 -0.73 -2.10 120.40 125.42 1x3g s VAL 33 Ca 0.03 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 1x3g s VAL 33 Cb -0.13 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1x3g s VAL 33 CO 0.03 0.46 -0.00 0.00 0.00 0.00 0.00 175.10 175.59 1x3g s ALA 34 N -0.31 2.97 -0.12 5.51 0.00 -0.39 -1.31 121.76 128.11 1x3g s ALA 34 Ca 0.25 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1x3g s ALA 34 Cb -0.16 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1x3g s ALA 34 CO 0.12 -0.31 -0.17 0.45 0.00 0.00 0.00 175.76 175.85 1x3g s SER 35 N 1.28 3.67 -0.13 0.00 0.15 -0.12 -0.98 113.70 117.58 1x3g s SER 35 Ca 0.04 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 1x3g s SER 35 Cb -0.15 -1.51 0.05 0.00 -1.71 0.00 0.00 66.02 62.70 1x3g s SER 35 CO 0.01 0.17 0.06 -0.89 1.20 0.00 0.00 173.24 173.79 1x3g s THR 36 N 0.31 0.04 0.98 6.45 2.01 -1.26 -1.45 115.64 122.72 1x3g s THR 36 Ca -0.13 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 1x3g s THR 36 Cb -0.17 -0.51 0.04 0.00 0.01 0.00 0.00 72.50 71.88 1x3g s THR 36 CO 0.07 -0.08 0.32 -2.65 -0.69 0.00 0.00 174.62 171.59 1x3g n PRO 37 N 5.24 -0.49 -2.87 4.92 -0.02 -1.22 -4.95 135.00 135.60 1x3g n PRO 37 Ca -0.06 -0.11 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 1x3g n PRO 37 Cb 0.49 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 1x3g n PRO 37 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1x3g s ARG 38 N -3.58 0.65 0.76 -0.52 0.52 -1.26 -3.69 118.95 111.83 1x3g s ARG 38 Ca 0.56 -0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 55.23 1x3g s ARG 38 Cb -0.20 0.02 0.09 0.00 0.52 0.00 0.00 34.95 35.38 1x3g s ARG 38 CO 0.68 -0.86 1.09 -1.64 0.02 0.00 0.00 175.30 174.59 1x3g s MET 39 N 1.39 1.90 0.43 3.54 -1.94 -1.26 -4.73 119.30 118.63 1x3g s MET 39 Ca 0.22 -0.26 0.05 0.00 -1.71 0.00 0.00 55.69 53.99 1x3g s MET 39 Cb 0.02 -2.09 -0.06 0.00 2.01 0.00 0.00 34.83 34.71 1x3g s MET 39 CO -0.09 -1.49 0.01 -0.59 -0.01 0.00 0.00 175.02 172.86 1x3g s PHE 40 N -3.40 2.32 0.33 -0.03 -0.71 -1.26 -2.92 117.98 112.32 1x3g s PHE 40 Ca 0.63 -0.76 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1x3g s PHE 40 Cb -0.09 -1.70 0.00 0.00 -1.21 0.00 0.00 43.02 40.02 1x3g s PHE 40 CO 0.47 0.36 0.00 -0.25 -1.34 0.00 0.00 175.22 174.46 1x3g n ASP 41 N -1.03 -9.03 -0.22 1.98 9.92 -1.26 -4.52 116.55 112.39 1x3g n ASP 41 Ca -0.08 1.29 -0.03 0.00 -0.53 0.00 0.00 54.79 55.44 1x3g n ASP 41 Cb 0.67 -4.80 -0.01 0.00 -0.64 0.00 0.00 41.12 36.33 1x3g n ASP 41 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x3g n ARG 42 N 0.78 -0.92 0.00 -1.24 3.00 -1.26 -4.82 116.66 112.20 1x3g n ARG 42 Ca 0.00 0.42 0.00 0.00 -0.01 0.00 0.00 57.85 58.26 1x3g n ARG 42 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 32.46 28.24 1x3g n ARG 42 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1x3g n TRP 47 N -2.56 0.00 -3.63 -1.55 2.14 -1.26 -5.23 117.44 105.34 1x3g n TRP 47 Ca -0.03 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.51 1x3g n TRP 47 Cb 0.27 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.74 1x3g n TRP 47 CO 0.00 0.00 0.00 0.15 2.07 0.00 0.00 177.69 179.91 1x3g s LYS 48 N 0.00 0.13 0.88 -2.67 -0.14 -1.15 -4.22 119.74 112.57 1x3g s LYS 48 Ca 0.00 0.02 0.00 0.00 -1.36 0.00 0.00 55.97 54.63 1x3g s LYS 48 Cb 0.00 0.06 0.00 0.00 -1.68 0.00 0.00 37.83 36.21 1x3g s LYS 48 CO 0.00 -0.04 0.00 -3.47 -0.76 0.00 0.00 175.35 171.08 1x3g n ASP 49 N 0.48 -3.65 0.00 2.83 2.03 -1.24 -4.87 116.55 112.12 1x3g n ASP 49 Ca -0.01 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1x3g n ASP 49 Cb 0.59 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1x3g n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x3g n GLY 50 N -1.25 3.56 1.28 0.27 0.00 -1.24 -4.22 105.19 103.59 1x3g n GLY 50 Ca 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 45.68 1x3g n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x3g n GLU 51 N 0.00 -2.60 -3.57 1.61 -0.00 -1.26 -3.46 120.64 111.36 1x3g n GLU 51 Ca 0.00 1.77 -0.06 0.00 -0.00 0.00 0.00 57.16 58.88 1x3g n GLU 51 Cb 0.00 -3.17 -0.02 0.00 -0.00 0.00 0.00 31.44 28.25 1x3g n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x3g s ALA 52 N -2.37 -1.95 -0.15 -1.84 0.00 -1.26 -4.35 121.76 109.84 1x3g s ALA 52 Ca 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1x3g s ALA 52 Cb 0.00 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.37 1x3g s ALA 52 CO 0.00 -0.69 0.33 -1.17 0.00 0.00 0.00 175.76 174.22 1x3g s LEU 53 N -2.41 -0.19 -0.18 0.00 2.96 -0.53 -4.95 118.68 113.37 1x3g s LEU 53 Ca 0.08 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1x3g s LEU 53 Cb -0.01 1.00 0.01 0.00 0.50 0.00 0.00 46.19 47.69 1x3g s LEU 53 CO -0.06 -0.21 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.24 1x3g s PHE 54 N 2.01 2.81 -0.17 5.38 0.40 -1.26 -0.94 117.98 126.21 1x3g s PHE 54 Ca -0.04 -1.35 0.01 0.00 -0.60 0.00 0.00 56.93 54.95 1x3g s PHE 54 Cb -0.11 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.49 1x3g s PHE 54 CO -0.10 -0.68 -0.19 -0.51 0.70 0.00 0.00 175.22 174.44 1x3g s LEU 55 N 1.22 2.07 0.01 -0.37 1.43 -0.43 -4.97 118.68 117.65 1x3g s LEU 55 Ca 0.03 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.19 1x3g s LEU 55 Cb -0.14 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 1x3g s LEU 55 CO -0.08 -0.01 1.39 -0.13 0.23 0.00 0.00 176.35 177.75 1x3g s ARG 56 N 1.30 4.29 0.14 1.70 0.52 -1.26 -1.78 118.95 123.87 1x3g s ARG 56 Ca 0.05 1.96 0.10 0.00 -0.52 0.00 0.00 55.73 57.31 1x3g s ARG 56 Cb -0.13 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1x3g s ARG 56 CO -0.12 -0.55 -0.23 0.00 0.02 0.00 0.00 175.30 174.41 1x3g s ASN 58 N -2.27 -0.21 0.05 0.00 4.22 -1.09 -2.15 114.94 113.50 1x3g s ASN 58 Ca 0.14 0.40 0.05 0.00 -2.14 0.00 0.00 52.86 51.31 1x3g s ASN 58 Cb -0.09 0.40 -0.02 0.00 1.28 0.00 0.00 41.25 42.81 1x3g s ASN 58 CO 0.07 -0.08 -0.15 -0.51 -2.04 0.00 0.00 177.10 174.39 1x3g s ILE 59 N 0.19 1.18 0.35 0.54 2.07 -0.85 -2.27 121.20 122.41 1x3g s ILE 59 Ca -0.01 -1.13 0.09 0.00 -1.41 0.00 0.00 60.65 58.19 1x3g s ILE 59 Cb -0.02 -1.08 -0.06 0.00 0.13 0.00 0.00 42.46 41.43 1x3g s ILE 59 CO -0.00 -0.05 0.02 0.26 -1.91 0.00 0.00 174.94 173.25 1x3g s TRP 60 N -0.99 2.54 0.00 3.50 0.52 -1.26 -1.44 118.94 121.81 1x3g s TRP 60 Ca 0.01 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.67 1x3g s TRP 60 Cb -0.09 -1.53 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1x3g s TRP 60 CO 0.02 0.46 0.00 0.54 0.02 0.00 0.00 176.95 177.99 1x3g n ARG 61 N -0.97 0.00 0.20 4.98 1.74 -0.09 -3.71 116.66 118.82 1x3g n ARG 61 Ca -0.04 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 1x3g n ARG 61 Cb 0.63 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.99 1x3g n ARG 61 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x3g h GLU 62 N 0.00 -0.66 -1.10 5.56 3.07 -1.98 -2.53 114.58 116.95 1x3g h GLU 62 Ca 0.00 0.04 0.35 0.00 -0.50 0.00 0.00 59.36 59.26 1x3g h GLU 62 Cb 0.00 0.15 -0.14 0.00 -0.84 0.00 0.00 28.75 27.92 1x3g h GLU 62 CO 0.00 -0.44 0.66 0.00 -1.40 0.00 0.00 179.01 177.83 1x3g h ALA 63 N -0.17 2.24 -0.53 3.43 0.00 -1.97 0.56 119.26 122.82 1x3g h ALA 63 Ca -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1x3g h ALA 63 Cb 0.63 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1x3g h ALA 63 CO -0.07 -0.84 0.24 0.00 0.00 0.00 0.00 179.25 178.58 1x3g h ALA 64 N 1.76 0.68 -0.28 0.00 0.00 -1.53 0.25 119.26 120.14 1x3g h ALA 64 Ca 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1x3g h ALA 64 Cb 1.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1x3g h ALA 64 CO -0.52 0.26 0.14 0.93 0.00 0.00 0.00 179.25 180.06 1x3g h GLU 65 N 0.71 0.40 -0.92 0.00 5.08 0.13 -1.64 114.58 118.34 1x3g h GLU 65 Ca 0.18 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1x3g h GLU 65 Cb 0.14 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1x3g h GLU 65 CO -0.02 0.36 0.60 -0.91 -1.00 0.00 0.00 179.01 178.04 1x3g h ASN 66 N 0.33 1.01 0.60 1.42 4.21 -1.23 -2.22 115.58 119.69 1x3g h ASN 66 Ca 0.10 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1x3g h ASN 66 Cb 0.09 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1x3g h ASN 66 CO -0.01 0.70 -0.33 0.58 -1.29 0.00 0.00 177.43 177.08 1x3g h VAL 67 N 1.18 0.33 0.00 2.81 2.07 -0.07 -1.50 116.25 121.08 1x3g h VAL 67 Ca 0.36 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.88 1x3g h VAL 67 Cb -0.04 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1x3g h VAL 67 CO -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.48 1x3g h ALA 68 N -0.48 1.10 0.00 1.67 0.00 -1.14 -0.58 119.26 119.83 1x3g h ALA 68 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1x3g h ALA 68 Cb 0.68 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1x3g h ALA 68 CO 0.10 0.00 -1.21 1.49 0.00 0.00 0.00 179.25 179.64 1x3g h GLU 69 N 0.00 0.00 0.00 0.00 4.81 -1.08 -3.41 114.58 114.90 1x3g h GLU 69 Ca -0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1x3g h GLU 69 Cb 0.01 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1x3g h GLU 69 CO 0.00 0.24 -2.28 0.43 -0.73 0.00 0.00 179.01 176.67 1x3g n SER 70 N -2.88 0.63 -4.58 1.04 7.64 -0.54 -5.00 113.62 109.92 1x3g n SER 70 Ca -0.06 -0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.53 1x3g n SER 70 Cb 0.76 0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 64.67 1x3g n SER 70 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x3g s LEU 71 N -5.48 3.02 0.00 -3.43 1.43 -0.34 -5.09 118.68 108.79 1x3g s LEU 71 Ca -0.12 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1x3g s LEU 71 Cb 0.06 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1x3g s LEU 71 CO 0.73 0.11 0.11 0.35 0.23 0.00 0.00 176.35 177.89 1x3g n THR 72 N 0.14 0.00 -1.83 5.49 -2.24 -1.26 -4.51 114.28 110.08 1x3g n THR 72 Ca -0.11 -1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.04 1x3g n THR 72 Cb 0.55 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 69.29 1x3g n THR 72 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1x3g s ARG 73 N -2.73 4.16 0.00 -0.78 3.52 -1.26 -2.39 118.95 119.47 1x3g s ARG 73 Ca 0.16 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1x3g s ARG 73 Cb 0.01 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 1x3g s ARG 73 CO 0.11 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.39 1x3g n GLY 74 N 2.71 2.05 3.72 8.12 0.00 0.58 -4.91 105.19 117.47 1x3g n GLY 74 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1x3g n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x3g n SER 75 N 0.00 3.97 -4.60 1.61 7.64 -1.01 -4.48 113.62 116.75 1x3g n SER 75 Ca 0.00 1.07 -0.43 0.00 1.01 0.00 0.00 58.87 60.52 1x3g n SER 75 Cb 0.00 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.60 1x3g n SER 75 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1x3g s ARG 76 N 0.93 3.80 0.19 1.43 3.52 -1.26 -1.37 118.95 126.19 1x3g s ARG 76 Ca 0.74 0.61 0.10 0.00 -0.13 0.00 0.00 55.73 57.04 1x3g s ARG 76 Cb -0.51 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 28.99 1x3g s ARG 76 CO 0.35 -1.14 -0.14 0.14 -0.81 0.00 0.00 175.30 173.69 1x3g s VAL 77 N 3.92 2.90 -0.20 7.11 -7.23 0.17 0.39 120.40 127.45 1x3g s VAL 77 Ca 0.43 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1x3g s VAL 77 Cb -0.10 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1x3g s VAL 77 CO 0.24 -0.14 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.25 1x3g s ILE 78 N -1.77 3.90 -0.08 -0.62 1.01 0.88 -2.56 121.20 121.95 1x3g s ILE 78 Ca 0.24 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1x3g s ILE 78 Cb -0.08 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1x3g s ILE 78 CO 0.14 0.43 -0.25 -0.69 0.00 0.00 0.00 174.94 174.57 1x3g s VAL 79 N 1.01 2.05 -0.02 2.92 1.01 0.42 -1.80 120.40 125.99 1x3g s VAL 79 Ca 0.02 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1x3g s VAL 79 Cb -0.14 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1x3g s VAL 79 CO 0.02 0.56 -0.19 0.28 0.00 0.00 0.00 175.10 175.77 1x3g s THR 80 N 0.08 1.55 0.00 3.92 -1.32 -0.83 0.46 115.64 119.50 1x3g s THR 80 Ca -0.11 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1x3g s THR 80 Cb -0.16 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.54 1x3g s THR 80 CO 0.06 0.44 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 1x3g n GLY 81 N 2.70 1.23 3.25 6.08 0.00 -0.89 -0.92 105.19 116.64 1x3g n GLY 81 Ca -0.16 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1x3g n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3g s ARG 82 N 1.78 2.13 -0.50 1.61 0.52 -0.54 -2.24 118.95 121.72 1x3g s ARG 82 Ca 0.00 -0.84 -0.24 0.00 -0.52 0.00 0.00 55.73 54.13 1x3g s ARG 82 Cb 0.00 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.57 1x3g s ARG 82 CO 0.00 0.43 0.88 -1.17 0.02 0.00 0.00 175.30 175.46 1x3g s LEU 83 N -0.33 4.15 -0.01 2.53 1.98 -0.77 -0.61 118.68 125.61 1x3g s LEU 83 Ca 0.03 -0.18 -0.01 0.00 -2.89 0.00 0.00 54.13 51.08 1x3g s LEU 83 Cb -0.11 -2.95 -0.04 0.00 0.66 0.00 0.00 46.19 43.75 1x3g s LEU 83 CO 0.01 -1.08 0.07 -0.75 -1.89 0.00 0.00 176.35 172.71 1x3g s LYS 84 N 3.67 3.06 -0.03 1.98 2.47 0.31 -4.83 119.74 126.38 1x3g s LYS 84 Ca 0.32 -0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 54.24 1x3g s LYS 84 Cb -0.12 -2.86 0.02 0.00 -1.46 0.00 0.00 37.83 33.41 1x3g s LYS 84 CO 0.22 0.65 0.06 -1.14 0.16 0.00 0.00 175.35 175.30 1x3g s GLN 85 N -1.65 0.04 -0.03 4.03 0.74 -1.26 -0.13 119.66 121.40 1x3g s GLN 85 Ca 0.22 0.15 0.06 0.00 0.05 0.00 0.00 55.36 55.83 1x3g s GLN 85 Cb -0.12 -0.08 -0.01 0.00 1.10 0.00 0.00 33.01 33.90 1x3g s GLN 85 CO 0.13 -0.07 -0.20 1.03 -0.55 0.00 0.00 175.29 175.62 1x3g s ARG 86 N 0.48 1.83 -0.90 1.67 0.52 -0.70 -5.00 118.95 116.85 1x3g s ARG 86 Ca -0.04 -0.72 -0.15 0.00 -0.52 0.00 0.00 55.73 54.31 1x3g s ARG 86 Cb -0.05 -1.67 0.20 0.00 0.52 0.00 0.00 34.95 33.95 1x3g s ARG 86 CO -0.02 0.37 0.92 -1.12 0.02 0.00 0.00 175.30 175.48 1x3g s SER 87 N -0.28 6.80 0.60 0.23 0.01 -1.26 -1.34 113.70 118.47 1x3g s SER 87 Ca 0.03 -2.63 -0.08 0.00 1.31 0.00 0.00 55.95 54.57 1x3g s SER 87 Cb -0.10 -2.27 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 1x3g s SER 87 CO 0.01 -0.68 0.96 -0.36 0.41 0.00 0.00 173.24 173.58 1x3g s PHE 88 N 0.72 3.43 0.31 2.43 2.99 -1.06 -4.95 117.98 121.84 1x3g s PHE 88 Ca 0.24 0.93 0.00 0.00 0.00 0.00 0.00 56.93 58.10 1x3g s PHE 88 Cb -0.08 -2.72 0.00 0.00 0.00 0.00 0.00 43.02 40.21 1x3g s PHE 88 CO -0.09 -0.76 0.00 -0.85 -0.00 0.00 0.00 175.22 173.52 1x3g n GLU 89 N -2.66 -1.83 0.00 0.44 0.00 -1.26 -2.35 120.64 112.98 1x3g n GLU 89 Ca 0.05 1.46 0.00 0.00 0.00 0.00 0.00 57.16 58.67 1x3g n GLU 89 Cb 0.56 -2.23 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1x3g n GLU 89 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1x3g n THR 90 N -3.14 0.00 0.81 3.84 -1.04 -1.26 -4.17 114.28 109.33 1x3g n THR 90 Ca -0.03 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.05 1x3g n THR 90 Cb 0.30 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 69.22 1x3g n THR 90 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x3g n ARG 91 N 0.00 0.34 0.00 -2.82 1.74 -1.26 -1.82 116.66 112.84 1x3g n ARG 91 Ca 0.00 0.08 0.09 0.00 -0.77 0.00 0.00 57.85 57.25 1x3g n ARG 91 Cb 0.00 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.00 1x3g n ARG 91 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1x3g n GLU 92 N -1.15 1.62 0.00 5.56 0.28 -1.26 -5.01 120.64 120.68 1x3g n GLU 92 Ca 0.09 -1.46 0.00 0.00 -0.16 0.00 0.00 57.16 55.63 1x3g n GLU 92 Cb 0.09 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.60 1x3g n GLU 92 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x3g n GLY 93 N 1.11 2.67 0.00 -1.84 0.00 -0.75 -5.02 105.19 101.35 1x3g n GLY 93 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1x3g n GLY 93 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x3g n GLU 94 N 0.00 0.54 0.00 1.61 0.28 -1.26 -4.83 120.64 116.98 1x3g n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1x3g n GLU 94 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1x3g n GLU 94 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1x3g n LYS 95 N 0.00 0.00 -2.52 3.44 4.76 -1.26 -4.83 118.16 117.75 1x3g n LYS 95 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1x3g n LYS 95 Cb 0.00 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 1x3g n LYS 95 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1x3g s ARG 96 N 0.00 3.85 -0.16 1.97 3.52 -0.99 -5.02 118.95 122.12 1x3g s ARG 96 Ca 0.00 0.75 -0.15 0.00 -0.13 0.00 0.00 55.73 56.20 1x3g s ARG 96 Cb 0.00 -2.22 0.04 0.00 -1.56 0.00 0.00 34.95 31.21 1x3g s ARG 96 CO 0.00 -0.21 0.43 -0.08 -0.81 0.00 0.00 175.30 174.63 1x3g s THR 97 N -2.59 0.00 0.09 4.11 -1.32 -1.26 -2.56 115.64 112.12 1x3g s THR 97 Ca 0.56 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 61.05 1x3g s THR 97 Cb -0.10 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1x3g s THR 97 CO 0.33 -0.01 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.97 1x3g s VAL 98 N 0.18 0.74 0.02 5.08 1.01 -0.45 -4.97 120.40 122.00 1x3g s VAL 98 Ca -0.00 -1.81 0.06 0.00 0.00 0.00 0.00 61.98 60.22 1x3g s VAL 98 Cb -0.03 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1x3g s VAL 98 CO 0.01 -0.77 -0.18 -0.69 0.00 0.00 0.00 175.10 173.47 1x3g s VAL 99 N -3.21 1.42 0.29 2.92 1.01 -1.26 -1.72 120.40 119.86 1x3g s VAL 99 Ca 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1x3g s VAL 99 Cb 0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1x3g s VAL 99 CO -0.03 0.24 0.21 -1.83 0.00 0.00 0.00 175.10 173.70 1x3g s GLU 100 N -0.83 1.59 -0.18 2.72 -1.05 0.81 -4.33 118.70 117.43 1x3g s GLU 100 Ca 0.06 -1.90 -0.01 0.00 -0.15 0.00 0.00 54.97 52.97 1x3g s GLU 100 Cb -0.08 0.21 0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1x3g s GLU 100 CO 0.01 -0.54 -0.03 0.08 0.95 0.00 0.00 175.26 175.72 1x3g s VAL 101 N -3.66 1.01 -0.66 1.83 1.01 -0.20 -0.53 120.40 119.20 1x3g s VAL 101 Ca 0.39 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1x3g s VAL 101 Cb 0.04 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1x3g s VAL 101 CO 0.21 0.02 1.24 -1.61 0.00 0.00 0.00 175.10 174.96 1x3g s GLU 102 N 1.66 3.35 0.31 2.72 2.02 0.22 -2.66 118.70 126.32 1x3g s GLU 102 Ca -0.00 -0.00 -0.29 0.00 0.02 0.00 0.00 54.97 54.69 1x3g s GLU 102 Cb -0.16 -4.10 -0.11 0.00 0.10 0.00 0.00 34.13 29.86 1x3g s GLU 102 CO -0.07 -1.92 1.50 0.08 0.02 0.00 0.00 175.26 174.87 1x3g s VAL 103 N 5.35 2.26 -0.21 2.63 1.01 -0.96 -1.46 120.40 129.00 1x3g s VAL 103 Ca 0.39 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.45 1x3g s VAL 103 Cb -0.08 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.07 1x3g s VAL 103 CO 0.20 0.04 -0.34 0.47 0.00 0.00 0.00 175.10 175.48 1x3g n ASP 104 N 1.62 1.87 -4.14 3.32 8.00 -0.10 -4.82 116.55 122.31 1x3g n ASP 104 Ca 0.05 0.32 -0.16 0.00 0.71 0.00 0.00 54.79 55.71 1x3g n ASP 104 Cb 0.39 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.63 1x3g n ASP 104 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x3g s GLU 105 N -2.67 0.73 -0.21 -1.24 0.41 -1.16 -5.05 118.70 109.52 1x3g s GLU 105 Ca -0.32 -0.91 -0.24 0.00 -0.41 0.00 0.00 54.97 53.09 1x3g s GLU 105 Cb 0.09 -0.65 0.06 0.00 -1.78 0.00 0.00 34.13 31.86 1x3g s GLU 105 CO 0.43 0.14 0.65 -1.50 -0.49 0.00 0.00 175.26 174.49 1x3g s ILE 106 N -1.38 0.00 0.15 -1.63 2.07 -1.26 -1.97 121.20 117.18 1x3g s ILE 106 Ca -0.04 -0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.01 1x3g s ILE 106 Cb -0.10 -0.92 0.04 0.00 0.13 0.00 0.00 42.46 41.62 1x3g s ILE 106 CO 0.02 -0.01 0.46 -0.83 -1.91 0.00 0.00 174.94 172.67 1x3g s GLY 107 N 0.03 -0.31 0.49 1.50 0.00 -0.74 -5.00 107.32 103.29 1x3g s GLY 107 Ca -0.02 0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.52 1x3g s GLY 107 CO 0.03 -0.21 1.05 2.56 0.00 0.00 0.00 173.10 176.53 1x3g s PRO 108 N -3.81 3.78 0.08 2.90 0.04 -1.26 -0.09 135.00 136.65 1x3g s PRO 108 Ca 0.04 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.28 1x3g s PRO 108 Cb 0.01 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1x3g s PRO 108 CO -0.11 -0.46 0.61 0.45 0.04 0.00 0.00 177.00 177.54 1x3g s SER 109 N -1.91 7.12 -0.38 6.66 0.15 0.16 -4.74 113.70 120.76 1x3g s SER 109 Ca 0.67 1.33 0.07 0.00 0.70 0.00 0.00 55.95 58.72 1x3g s SER 109 Cb -0.18 -2.39 0.70 0.00 -1.71 0.00 0.00 66.02 62.45 1x3g s SER 109 CO 0.21 0.25 1.85 0.18 1.20 0.00 0.00 173.24 176.93 1x3g n LEU 110 N 1.79 6.36 -0.02 3.45 4.77 -1.26 -4.26 117.00 127.82 1x3g n LEU 110 Ca -0.09 -3.35 -0.17 0.00 -0.03 0.00 0.00 56.01 52.37 1x3g n LEU 110 Cb 0.50 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1x3g n LEU 110 CO 0.42 0.91 0.31 -0.09 -1.33 0.00 0.00 177.39 177.62 1x3g h ARG 111 N 1.88 0.66 0.00 3.23 2.43 -1.96 -3.37 114.38 117.25 1x3g h ARG 111 Ca 0.43 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1x3g h ARG 111 Cb 2.57 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 32.23 1x3g h ARG 111 CO 0.90 1.16 -0.10 0.66 -1.51 0.00 0.00 179.97 181.08 1x3g n TYR 112 N -4.09 0.00 -3.68 2.20 0.53 -1.26 -5.08 117.16 105.78 1x3g n TYR 112 Ca -0.08 -0.58 -0.11 0.00 -1.02 0.00 0.00 57.90 56.12 1x3g n TYR 112 Cb 0.67 -0.09 -0.05 0.00 -1.03 0.00 0.00 39.34 38.84 1x3g n TYR 112 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1x3g s ALA 113 N -1.57 -0.81 0.13 -0.72 0.00 -1.26 -5.15 121.76 112.38 1x3g s ALA 113 Ca 0.15 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.13 1x3g s ALA 113 Cb 0.13 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1x3g s ALA 113 CO 0.01 -0.58 -0.26 0.95 0.00 0.00 0.00 175.76 175.89 1x3g s THR 114 N -3.55 2.16 -0.00 0.00 -4.23 -1.26 -4.37 115.64 104.39 1x3g s THR 114 Ca 0.02 -1.73 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1x3g s THR 114 Cb 0.02 -1.92 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 1x3g s THR 114 CO -0.10 0.05 0.03 0.00 -0.54 0.00 0.00 174.62 174.06 1x3g s ALA 115 N -1.11 -0.05 -0.46 3.99 0.00 -1.26 -5.11 121.76 117.76 1x3g s ALA 115 Ca 0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 1x3g s ALA 115 Cb -0.10 0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1x3g s ALA 115 CO 0.06 -0.07 0.58 0.15 0.00 0.00 0.00 175.76 176.48 1x3g s LYS 116 N -0.46 3.16 -1.10 0.00 1.02 -1.26 -4.99 119.74 116.12 1x3g s LYS 116 Ca -0.05 -0.68 -0.20 0.00 0.02 0.00 0.00 55.97 55.06 1x3g s LYS 116 Cb -0.03 -4.01 0.08 0.00 -0.52 0.00 0.00 37.83 33.35 1x3g s LYS 116 CO -0.00 -1.04 1.47 0.08 -0.92 0.00 0.00 175.35 174.93 1x3g s VAL 117 N 2.55 4.23 -0.72 3.17 1.01 -1.26 -4.91 120.40 124.46 1x3g s VAL 117 Ca 0.17 -1.41 -0.26 0.00 0.00 0.00 0.00 61.98 60.48 1x3g s VAL 117 Cb -0.17 -5.03 -0.12 0.00 0.00 0.00 0.00 36.38 31.06 1x3g s VAL 117 CO 0.15 -1.86 2.40 0.54 0.00 0.00 0.00 175.10 176.33 1x3g s ASN 118 N 4.32 4.03 0.15 3.32 6.03 -1.26 -4.80 114.94 126.73 1x3g s ASN 118 Ca 0.45 0.28 0.09 0.00 -1.03 0.00 0.00 52.86 52.66 1x3g s ASN 118 Cb -0.00 -2.54 0.54 0.00 -3.03 0.00 0.00 41.25 36.22 1x3g s ASN 118 CO -0.04 -3.63 0.61 2.29 -2.03 0.00 0.00 177.10 174.30 1x3g n LYS 119 N 8.87 -0.02 0.00 3.55 -0.00 -1.26 -5.27 118.16 124.03 1x3g n LYS 119 Ca 0.44 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 1x3g n LYS 119 Cb 0.46 -0.97 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 1x3g n LYS 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40