#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g n LEU 2 N 0.00 3.47 -3.96 -0.89 7.94 -1.26 -5.00 117.00 117.31 1j3g n LEU 2 Ca 0.00 1.07 -0.19 0.00 -1.11 0.00 0.00 56.01 55.78 1j3g n LEU 2 Cb 0.00 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.31 1j3g n LEU 2 CO 0.00 -0.09 -0.42 -0.76 -1.11 0.00 0.00 177.39 175.01 1j3g s LEU 3 N 1.19 1.71 -0.15 -1.96 1.43 -1.26 -3.53 118.68 116.10 1j3g s LEU 3 Ca 0.78 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1j3g s LEU 3 Cb -0.61 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.18 1j3g s LEU 3 CO 0.36 0.03 -0.20 -0.62 0.23 0.00 0.00 176.35 176.15 1j3g s ASP 4 N 0.32 3.26 -1.32 2.29 2.15 -0.28 -4.62 116.67 118.48 1j3g s ASP 4 Ca -0.04 -0.58 -0.06 0.00 0.43 0.00 0.00 52.55 52.30 1j3g s ASP 4 Cb -0.09 -1.48 0.04 0.00 -0.30 0.00 0.00 42.92 41.09 1j3g s ASP 4 CO 0.00 0.06 0.39 -0.62 -0.17 0.00 0.00 175.17 174.83 1j3g n GLU 5 N 4.19 -3.45 -0.51 4.34 -0.58 -1.26 -0.72 120.64 122.64 1j3g n GLU 5 Ca -0.20 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1j3g n GLU 5 Cb 0.51 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.03 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3g n GLY 6 N -1.17 0.65 3.91 0.62 0.00 -1.26 -4.98 105.19 102.96 1j3g n GLY 6 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1j3g n GLY 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3g s TRP 7 N -2.14 3.47 -0.09 1.61 0.52 0.10 -4.94 118.94 117.46 1j3g s TRP 7 Ca 0.00 0.71 -0.30 0.00 0.02 0.00 0.00 56.10 56.54 1j3g s TRP 7 Cb 0.00 -2.39 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1j3g s TRP 7 CO 0.00 -0.40 1.16 -1.17 0.02 0.00 0.00 176.95 176.56 1j3g s LEU 8 N -4.77 4.25 1.09 2.99 0.20 -1.26 -1.13 118.68 120.05 1j3g s LEU 8 Ca 0.49 1.71 -0.17 0.00 0.69 0.00 0.00 54.13 56.85 1j3g s LEU 8 Cb -0.10 -3.55 0.24 0.00 -0.43 0.00 0.00 46.19 42.34 1j3g s LEU 8 CO 0.44 -0.58 1.17 0.00 -0.29 0.00 0.00 176.35 177.09 1j3g s ALA 9 N 2.38 1.20 -1.23 5.97 0.00 -1.23 -4.38 121.76 124.48 1j3g s ALA 9 Ca 0.53 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1j3g s ALA 9 Cb -0.22 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1j3g s ALA 9 CO 0.19 -3.08 0.66 0.39 0.00 0.00 0.00 175.76 173.92 1j3g n GLU 10 N -4.34 -1.15 -3.65 0.00 1.02 -1.26 -4.97 120.64 106.29 1j3g n GLU 10 Ca 0.12 0.29 -0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1j3g n GLU 10 Cb 0.59 -3.59 -0.08 0.00 -0.02 0.00 0.00 31.44 28.35 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3g s ALA 11 N -3.61 -1.61 0.07 0.62 0.00 -1.26 -4.64 121.76 111.33 1j3g s ALA 11 Ca 0.39 1.84 -0.31 0.00 0.00 0.00 0.00 51.96 53.88 1j3g s ALA 11 Cb -0.17 -1.07 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 1j3g s ALA 11 CO 0.91 -0.31 1.20 0.50 0.00 0.00 0.00 175.76 178.07 1j3g s ARG 12 N 0.36 4.43 0.03 0.00 3.52 -0.73 -4.85 118.95 121.72 1j3g s ARG 12 Ca -0.00 1.78 -0.26 0.00 -0.13 0.00 0.00 55.73 57.11 1j3g s ARG 12 Cb -0.05 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 1j3g s ARG 12 CO 0.01 -0.26 0.82 -0.98 -0.81 0.00 0.00 175.30 174.08 1j3g s ARG 13 N 1.03 4.53 -0.40 5.12 1.70 -1.26 -0.56 118.95 129.11 1j3g s ARG 13 Ca 0.59 1.15 0.07 0.00 -0.47 0.00 0.00 55.73 57.06 1j3g s ARG 13 Cb -0.30 -3.39 0.22 0.00 -0.57 0.00 0.00 34.95 30.92 1j3g s ARG 13 CO 0.29 0.19 0.48 0.28 -1.08 0.00 0.00 175.30 175.46 1j3g n VAL 14 N 3.11 -0.83 -2.16 4.99 0.31 0.10 -4.91 118.33 118.94 1j3g n VAL 14 Ca -0.00 -3.72 -0.42 0.00 -0.01 0.00 0.00 64.34 60.18 1j3g n VAL 14 Cb 0.50 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 1j3g n VAL 14 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j3g s PRO 15 N -0.73 4.24 -0.26 5.55 0.04 -1.26 -4.20 135.00 138.38 1j3g s PRO 15 Ca 0.34 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 1j3g s PRO 15 Cb 0.13 -3.70 0.03 0.00 0.04 0.00 0.00 34.50 31.00 1j3g s PRO 15 CO -0.14 -0.68 -0.03 0.45 0.04 0.00 0.00 177.00 176.65 1j3g s SER 16 N 2.31 4.53 0.00 6.66 0.15 -1.26 -5.00 113.70 121.09 1j3g s SER 16 Ca 0.66 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1j3g s SER 16 Cb -0.32 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1j3g s SER 16 CO 0.26 -0.15 1.88 -0.81 1.20 0.00 0.00 173.24 175.62 1j3g n PRO 17 N 4.70 0.99 -2.33 5.44 -0.04 -1.26 -4.21 135.00 138.28 1j3g n PRO 17 Ca -0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 1j3g n PRO 17 Cb 0.47 -1.00 0.02 0.00 -0.04 0.00 0.00 33.50 32.94 1j3g n PRO 17 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j3g n HIS 18 N 1.40 2.69 -1.39 0.54 -0.00 -1.26 -5.08 115.22 112.11 1j3g n HIS 18 Ca 0.00 -2.59 -0.30 0.00 0.46 0.00 0.00 57.72 55.29 1j3g n HIS 18 Cb 0.50 -0.24 0.23 0.00 -0.12 0.00 0.00 29.99 30.36 1j3g n HIS 18 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1j3g s TYR 19 N -3.56 0.77 0.51 1.57 2.02 -1.26 -4.31 117.35 113.09 1j3g s TYR 19 Ca 0.45 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 57.56 1j3g s TYR 19 Cb 0.40 -3.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.23 1j3g s TYR 19 CO -0.05 -3.51 0.01 -0.51 -1.57 0.00 0.00 175.55 169.93 1j3g s ASP 20 N -4.29 4.15 -0.30 2.29 1.01 -1.11 -4.97 116.67 113.45 1j3g s ASP 20 Ca 0.73 -1.65 -0.10 0.00 0.71 0.00 0.00 52.55 52.23 1j3g s ASP 20 Cb -0.07 0.54 0.15 0.00 1.01 0.00 0.00 42.92 44.55 1j3g s ASP 20 CO 0.55 -0.87 0.74 0.00 0.21 0.00 0.00 175.17 175.80 1j3g s ARG 22 N 2.79 0.99 -0.36 0.00 1.81 -1.26 -5.06 118.95 117.86 1j3g s ARG 22 Ca -0.02 -1.23 -0.06 0.00 -1.72 0.00 0.00 55.73 52.69 1j3g s ARG 22 Cb -0.11 -0.83 -0.20 0.00 -0.45 0.00 0.00 34.95 33.37 1j3g s ARG 22 CO -0.19 0.15 3.41 -0.35 -0.68 0.00 0.00 175.30 177.64 1j3g n PRO 23 N 0.51 2.40 -4.00 3.54 -0.04 -1.26 -4.82 135.00 131.32 1j3g n PRO 23 Ca -0.15 -1.39 -0.09 0.00 -0.04 0.00 0.00 63.50 61.82 1j3g n PRO 23 Cb 0.57 -2.17 -0.11 0.00 -0.04 0.00 0.00 33.50 31.76 1j3g n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j3g s ASP 24 N 1.83 0.33 -0.27 3.54 1.01 -1.26 -5.14 116.67 116.72 1j3g s ASP 24 Ca 0.66 -0.56 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 1j3g s ASP 24 Cb 0.30 0.10 0.13 0.00 1.01 0.00 0.00 42.92 44.47 1j3g s ASP 24 CO -0.03 -0.33 0.32 -1.81 0.21 0.00 0.00 175.17 173.53 1j3g s ASP 25 N -1.65 1.13 0.29 0.27 1.01 -1.26 -5.13 116.67 111.33 1j3g s ASP 25 Ca -0.13 -0.41 0.03 0.00 0.71 0.00 0.00 52.55 52.75 1j3g s ASP 25 Cb -0.08 0.70 -0.04 0.00 1.01 0.00 0.00 42.92 44.51 1j3g s ASP 25 CO -0.02 -0.35 0.15 -0.70 0.21 0.00 0.00 175.17 174.46 1j3g s GLU 26 N 2.42 1.53 -0.12 8.23 2.56 -1.26 -5.13 118.70 126.92 1j3g s GLU 26 Ca 0.10 -1.86 -0.29 0.00 0.00 0.00 0.00 54.97 52.91 1j3g s GLU 26 Cb -0.14 -0.04 -0.01 0.00 2.00 0.00 0.00 34.13 35.93 1j3g s GLU 26 CO -0.25 -0.43 1.04 1.21 -0.56 0.00 0.00 175.26 176.26 1j3g s ASN 27 N -3.34 7.19 -0.63 -1.70 2.47 -1.26 -5.01 114.94 112.66 1j3g s ASN 27 Ca 0.37 1.54 -0.28 0.00 0.42 0.00 0.00 52.86 54.90 1j3g s ASN 27 Cb 0.05 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1j3g s ASN 27 CO 0.17 -0.51 1.24 -2.16 -3.72 0.00 0.00 177.10 172.12 1j3g s PRO 28 N 2.28 3.39 -0.32 0.43 0.04 -1.24 -4.79 135.00 134.78 1j3g s PRO 28 Ca 0.48 0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.52 1j3g s PRO 28 Cb -0.18 -4.08 0.21 0.00 0.04 0.00 0.00 34.50 30.48 1j3g s PRO 28 CO 0.16 -1.86 1.13 0.45 0.04 0.00 0.00 177.00 176.92 1j3g s SER 29 N 3.34 -0.14 -0.19 6.66 0.15 -1.26 -4.51 113.70 117.75 1j3g s SER 29 Ca 0.41 -0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.73 1j3g s SER 29 Cb -0.08 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.47 1j3g s SER 29 CO 0.22 -0.01 0.56 -0.22 1.20 0.00 0.00 173.24 174.99 1j3g s LEU 30 N 1.37 -0.14 -0.17 3.45 0.20 -1.26 -4.19 118.68 117.93 1j3g s LEU 30 Ca 0.19 1.07 -0.16 0.00 0.69 0.00 0.00 54.13 55.92 1j3g s LEU 30 Cb 0.11 1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 47.77 1j3g s LEU 30 CO -0.13 -0.23 0.39 -0.22 -0.29 0.00 0.00 176.35 175.87 1j3g s LEU 31 N 0.14 4.20 -0.08 -0.68 2.96 -0.96 -3.49 118.68 120.76 1j3g s LEU 31 Ca -0.01 0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1j3g s LEU 31 Cb -0.04 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 1j3g s LEU 31 CO 0.01 -0.02 0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 1j3g s VAL 32 N 0.96 4.45 -0.15 1.68 1.01 -1.21 -1.81 120.40 125.33 1j3g s VAL 32 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1j3g s VAL 32 Cb -0.14 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.40 1j3g s VAL 32 CO 0.07 0.59 0.03 -0.69 0.00 0.00 0.00 175.10 175.10 1j3g s VAL 33 N -0.92 0.40 -0.15 2.92 1.01 0.11 -4.16 120.40 119.60 1j3g s VAL 33 Ca 0.14 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1j3g s VAL 33 Cb -0.11 -0.79 0.13 0.00 0.00 0.00 0.00 36.38 35.60 1j3g s VAL 33 CO 0.03 -0.04 1.04 -1.38 0.00 0.00 0.00 175.10 174.75 1j3g s HIS 34 N 1.93 -0.31 -0.39 5.22 -3.43 -1.26 -4.01 115.29 113.04 1j3g s HIS 34 Ca 0.02 0.47 -0.18 0.00 -0.80 0.00 0.00 55.06 54.57 1j3g s HIS 34 Cb -0.15 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 31.48 1j3g s HIS 34 CO -0.07 -0.33 0.49 1.21 -2.00 0.00 0.00 174.74 174.04 1j3g s ASN 35 N -1.37 6.26 0.28 7.38 2.47 -1.26 -2.35 114.94 126.35 1j3g s ASN 35 Ca 0.01 -0.33 0.05 0.00 0.42 0.00 0.00 52.86 53.00 1j3g s ASN 35 Cb -0.01 -2.25 -0.06 0.00 -1.45 0.00 0.00 41.25 37.48 1j3g s ASN 35 CO -0.01 -0.55 -0.00 -0.63 -3.72 0.00 0.00 177.10 172.18 1j3g s ILE 36 N 2.33 1.32 -0.04 -5.21 -1.09 -0.84 -4.88 121.20 112.79 1j3g s ILE 36 Ca 0.16 -2.06 -0.01 0.00 -2.23 0.00 0.00 60.65 56.51 1j3g s ILE 36 Cb -0.16 -2.53 0.03 0.00 -1.58 0.00 0.00 42.46 38.22 1j3g s ILE 36 CO 0.14 -0.21 0.04 -0.55 -1.23 0.00 0.00 174.94 173.13 1j3g s SER 37 N -3.42 1.00 0.13 3.58 0.15 -1.26 -3.79 113.70 110.08 1j3g s SER 37 Ca 0.31 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1j3g s SER 37 Cb 0.06 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1j3g s SER 37 CO 0.12 -0.21 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.02 -0.32 -4.89 3.45 -0.00 -1.26 -5.03 117.00 113.97 1j3g n LEU 38 Ca -0.09 0.22 -0.29 0.00 -0.00 0.00 0.00 56.01 55.85 1j3g n LEU 38 Cb 0.50 0.43 -0.02 0.00 -0.00 0.00 0.00 43.42 44.32 1j3g n LEU 38 CO 0.10 -0.55 0.39 -2.16 -0.00 0.00 0.00 177.39 175.17 1j3g s PRO 39 N -1.39 3.69 -1.20 1.96 0.04 -1.26 -4.69 135.00 132.15 1j3g s PRO 39 Ca 0.00 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.26 1j3g s PRO 39 Cb 0.00 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 1j3g s PRO 39 CO 0.00 -0.01 2.63 -0.35 0.04 0.00 0.00 177.00 179.31 1j3g n PRO 40 N -1.43 2.88 0.00 0.56 -0.04 -1.26 -4.64 135.00 131.06 1j3g n PRO 40 Ca 0.01 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1j3g n PRO 40 Cb 0.54 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1j3g n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 41 N 3.56 -1.38 3.48 0.55 0.00 -1.26 -4.95 105.19 105.20 1j3g n GLY 41 Ca 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.58 1j3g n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 42 N -1.75 0.50 0.06 1.61 2.02 -1.26 -5.15 118.70 114.73 1j3g s GLU 42 Ca 0.00 1.19 -0.27 0.00 0.02 0.00 0.00 54.97 55.91 1j3g s GLU 42 Cb 0.00 0.44 0.09 0.00 0.10 0.00 0.00 34.13 34.76 1j3g s GLU 42 CO 0.00 -0.20 1.00 -0.06 0.02 0.00 0.00 175.26 176.02 1j3g s PHE 43 N 2.35 -0.18 -0.82 1.61 0.08 -1.26 -5.05 117.98 114.71 1j3g s PHE 43 Ca -0.06 -0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.04 1j3g s PHE 43 Cb -0.10 0.59 0.17 0.00 -0.57 0.00 0.00 43.02 43.11 1j3g s PHE 43 CO -0.16 -0.63 1.04 0.41 -0.10 0.00 0.00 175.22 175.78 1j3g n GLY 44 N -0.38 1.61 3.58 4.36 0.00 -1.26 -4.96 105.19 108.14 1j3g n GLY 44 Ca -0.07 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -0.89 1.93 0.00 -0.02 0.00 -1.26 -4.99 107.32 102.09 1j3g s GLY 45 Ca 0.15 -1.12 0.11 0.00 0.00 0.00 0.00 44.72 43.85 1j3g s GLY 45 CO 0.11 0.75 1.29 -1.55 0.00 0.00 0.00 173.10 173.70 1j3g n PRO 46 N 5.13 0.08 -0.24 2.90 -0.04 -1.26 -3.50 135.00 138.06 1j3g n PRO 46 Ca -0.13 0.25 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 1j3g n PRO 46 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1j3g n PRO 46 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j3g h TRP 47 N 0.00 -0.32 -0.27 0.54 4.06 -1.98 0.65 115.95 118.62 1j3g h TRP 47 Ca 0.00 0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 1j3g h TRP 47 Cb 0.14 0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 1j3g h TRP 47 CO 0.00 -0.29 0.05 0.82 -3.56 0.00 0.00 178.44 175.45 1j3g h ILE 48 N 0.01 1.23 -0.50 1.49 2.04 -1.83 -1.30 117.51 118.65 1j3g h ILE 48 Ca 0.35 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 1j3g h ILE 48 Cb 0.55 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1j3g h ILE 48 CO -0.72 0.25 -0.07 -0.78 0.00 0.00 0.00 178.15 176.83 1j3g h ASP 49 N 0.27 0.88 -0.36 1.72 3.58 -1.63 -2.77 116.42 118.11 1j3g h ASP 49 Ca 0.08 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1j3g h ASP 49 Cb 0.33 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1j3g h ASP 49 CO 0.00 0.99 0.20 0.00 -2.88 0.00 0.00 179.24 177.55 1j3g h ALA 50 N 1.10 1.60 0.17 -0.78 0.00 -0.66 -0.02 119.26 120.68 1j3g h ALA 50 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j3g h ALA 50 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j3g h ALA 50 CO 0.04 0.33 -0.10 1.25 0.00 0.00 0.00 179.25 180.77 1j3g h LEU 51 N 0.55 -0.24 -0.05 0.00 7.12 -0.95 -0.08 115.31 121.66 1j3g h LEU 51 Ca 0.14 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.14 1j3g h LEU 51 Cb 0.05 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.25 1j3g h LEU 51 CO -0.02 -0.16 -0.06 -0.26 -0.13 0.00 0.00 178.44 177.81 1j3g h PHE 52 N -0.25 0.15 -0.43 1.25 -1.00 -1.32 -3.22 116.94 112.13 1j3g h PHE 52 Ca -0.02 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 1j3g h PHE 52 Cb 0.21 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1j3g h PHE 52 CO -0.08 0.59 -0.08 0.00 -1.61 0.00 0.00 178.31 177.13 1j3g h THR 53 N -0.33 1.25 0.00 -1.55 1.03 -1.09 -3.48 112.91 108.75 1j3g h THR 53 Ca 0.01 -1.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.30 1j3g h THR 53 Cb 0.57 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1j3g h THR 53 CO 0.01 0.38 0.00 0.61 -0.01 0.00 0.00 175.52 176.51 1j3g n GLY 54 N -0.51 0.93 0.61 2.99 0.00 -0.15 -5.01 105.19 104.05 1j3g n GLY 54 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -0.65 0.42 -1.61 2.61 -2.24 -0.59 -4.97 114.28 107.25 1j3g n THR 55 Ca 0.00 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.94 1j3g n THR 55 Cb 0.00 0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1j3g n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3g n ILE 56 N 0.46 2.77 -3.77 2.28 3.06 -1.01 -4.97 119.36 118.19 1j3g n ILE 56 Ca 0.12 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.50 1j3g n ILE 56 Cb 0.29 -1.16 -0.07 0.00 0.54 0.00 0.00 39.64 39.24 1j3g n ILE 56 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1j3g s ASP 57 N -0.88 6.40 -0.36 9.51 2.15 -1.26 -4.90 116.67 127.33 1j3g s ASP 57 Ca 0.67 0.48 -0.00 0.00 0.43 0.00 0.00 52.55 54.12 1j3g s ASP 57 Cb -0.51 -2.11 0.28 0.00 -0.30 0.00 0.00 42.92 40.29 1j3g s ASP 57 CO 0.54 0.32 1.93 -0.81 -0.17 0.00 0.00 175.17 176.98 1j3g n PRO 58 N 2.46 1.92 -0.09 4.34 -0.04 -1.26 -4.18 135.00 138.16 1j3g n PRO 58 Ca -0.18 -1.86 -0.11 0.00 -0.04 0.00 0.00 63.50 61.31 1j3g n PRO 58 Cb 0.54 -1.73 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 1j3g n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1j3g n ASN 59 N 0.00 1.30 -0.07 3.54 5.15 -1.26 -4.17 115.26 119.75 1j3g n ASN 59 Ca 0.36 -0.04 -0.08 0.00 -0.60 0.00 0.00 54.58 54.22 1j3g n ASN 59 Cb 0.70 0.50 -0.01 0.00 -0.53 0.00 0.00 39.78 40.44 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j3g h ALA 60 N 0.56 -0.08 -2.34 5.20 0.00 -2.05 -3.46 119.26 117.08 1j3g h ALA 60 Ca -0.47 0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.76 1j3g h ALA 60 Cb 1.95 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 20.21 1j3g h ALA 60 CO -0.01 -0.65 0.70 -3.38 0.00 0.00 0.00 179.25 175.91 1j3g s HIS 61 N -6.09 0.04 0.04 0.00 -3.43 -1.26 -5.08 115.29 99.52 1j3g s HIS 61 Ca -0.15 -0.34 -0.18 0.00 -0.80 0.00 0.00 55.06 53.60 1j3g s HIS 61 Cb 0.13 0.65 -0.18 0.00 -1.43 0.00 0.00 32.58 31.75 1j3g s HIS 61 CO 0.68 -0.68 1.23 -1.00 -2.00 0.00 0.00 174.74 172.98 1j3g h PRO 62 N 2.00 0.52 -0.91 -0.38 0.13 -1.91 -3.36 132.00 128.09 1j3g h PRO 62 Ca -0.26 -0.42 0.22 0.00 -0.87 0.00 0.00 66.00 64.67 1j3g h PRO 62 Cb 1.21 0.09 -0.17 0.00 0.13 0.00 0.00 31.00 32.25 1j3g h PRO 62 CO 0.34 1.05 -0.04 -0.92 -0.23 0.00 0.00 178.00 178.20 1j3g h TYR 63 N 0.13 -0.15 0.23 1.56 5.03 -1.97 -0.13 116.97 121.66 1j3g h TYR 63 Ca -0.03 0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.36 1j3g h TYR 63 Cb 1.14 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 39.60 1j3g h TYR 63 CO 0.11 -0.37 -0.31 0.35 -1.32 0.00 0.00 178.16 176.62 1j3g h PHE 64 N 0.04 -0.84 -0.56 -3.82 3.04 -1.91 0.15 116.94 113.04 1j3g h PHE 64 Ca 0.51 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.45 1j3g h PHE 64 Cb 0.96 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 39.78 1j3g h PHE 64 CO -0.53 -0.43 0.25 0.00 -2.02 0.00 0.00 178.31 175.58 1j3g h ALA 65 N -0.00 0.72 -0.05 2.41 0.00 -1.62 -3.21 119.26 117.51 1j3g h ALA 65 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1j3g h ALA 65 Cb 0.58 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1j3g h ALA 65 CO -0.11 0.31 -0.43 0.78 0.00 0.00 0.00 179.25 179.79 1j3g h GLY 66 N 0.76 -0.78 1.04 0.00 0.00 -0.21 -3.00 103.07 100.87 1j3g h GLY 66 Ca 0.19 0.53 -0.02 0.00 0.00 0.00 0.00 47.33 48.03 1j3g h GLY 66 CO -0.02 -0.24 0.48 0.16 0.00 0.00 0.00 176.54 176.92 1j3g h ILE 67 N -0.55 1.26 -0.91 2.60 3.07 -1.04 -3.26 117.51 118.68 1j3g h ILE 67 Ca 0.05 -0.65 0.32 0.00 1.55 0.00 0.00 64.86 66.13 1j3g h ILE 67 Cb 0.65 0.06 -0.17 0.00 -0.27 0.00 0.00 36.82 37.09 1j3g h ILE 67 CO -0.35 0.29 0.26 0.00 -1.05 0.00 0.00 178.15 177.30 1j3g n ALA 68 N -2.41 0.70 -0.37 0.16 0.00 -1.13 -0.50 120.51 116.96 1j3g n ALA 68 Ca 0.09 0.95 0.04 0.00 0.00 0.00 0.00 53.44 54.52 1j3g n ALA 68 Cb 0.10 -0.82 0.20 0.00 0.00 0.00 0.00 19.45 18.93 1j3g n ALA 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j3g h HIS 69 N 0.00 1.18 -3.38 0.00 3.86 -1.69 -3.39 115.15 111.73 1j3g h HIS 69 Ca 0.66 0.03 -0.55 0.00 -1.16 0.00 0.00 60.37 59.35 1j3g h HIS 69 Cb 1.59 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 29.64 1j3g h HIS 69 CO -0.23 0.57 0.08 -0.51 0.86 0.00 0.00 177.93 178.69 1j3g s LEU 70 N -10.19 4.49 0.78 2.43 1.02 0.34 -5.05 118.68 112.49 1j3g s LEU 70 Ca -0.12 1.38 -0.15 0.00 0.02 0.00 0.00 54.13 55.26 1j3g s LEU 70 Cb 0.21 -3.10 0.02 0.00 0.02 0.00 0.00 46.19 43.34 1j3g s LEU 70 CO 0.81 0.13 0.84 -2.11 0.02 0.00 0.00 176.35 176.04 1j3g n ARG 71 N 2.30 0.25 -4.39 1.70 0.00 -1.26 -4.94 116.66 110.33 1j3g n ARG 71 Ca -0.06 0.14 -0.24 0.00 -0.00 0.00 0.00 57.85 57.70 1j3g n ARG 71 Cb 0.50 -2.12 -0.09 0.00 -0.00 0.00 0.00 32.46 30.75 1j3g n ARG 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j3g s VAL 72 N -2.01 2.88 -0.30 8.89 -7.23 -1.26 -4.98 120.40 116.39 1j3g s VAL 72 Ca 0.69 -2.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.53 1j3g s VAL 72 Cb -0.31 -2.58 0.18 0.00 0.56 0.00 0.00 36.38 34.22 1j3g s VAL 72 CO 0.55 -0.36 1.13 -0.44 -0.31 0.00 0.00 175.10 175.67 1j3g s SER 73 N -3.60 -0.33 0.18 4.85 0.01 -1.23 -4.62 113.70 108.96 1j3g s SER 73 Ca 0.31 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1j3g s SER 73 Cb -0.05 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1j3g s SER 73 CO 0.17 -0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.76 1j3g n ALA 74 N 4.70 0.00 0.05 1.44 0.00 -1.26 -1.35 120.51 124.08 1j3g n ALA 74 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1j3g n ALA 74 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -1.12 -0.02 -3.66 0.00 8.25 -1.23 -4.36 115.22 113.09 1j3g n HIS 75 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.29 1j3g n HIS 75 Cb 0.00 0.01 -0.16 0.00 1.12 0.00 0.00 29.99 30.96 1j3g n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3g s LEU 77 N 2.27 4.65 -0.35 0.00 2.96 -0.99 -0.94 118.68 126.27 1j3g s LEU 77 Ca 0.04 -0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 1j3g s LEU 77 Cb -0.12 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 1j3g s LEU 77 CO -0.06 -0.34 0.43 -0.63 -1.32 0.00 0.00 176.35 174.43 1j3g s ILE 78 N 1.84 5.10 0.63 6.68 1.01 -0.83 -2.21 121.20 133.41 1j3g s ILE 78 Ca 0.08 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 1j3g s ILE 78 Cb -0.17 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 1j3g s ILE 78 CO 0.11 -0.18 1.16 -0.60 0.00 0.00 0.00 174.94 175.43 1j3g s ARG 79 N 2.17 2.83 0.26 2.79 3.52 0.52 -1.60 118.95 129.45 1j3g s ARG 79 Ca 0.14 1.62 0.18 0.00 -0.13 0.00 0.00 55.73 57.54 1j3g s ARG 79 Cb -0.16 -1.93 0.98 0.00 -1.56 0.00 0.00 34.95 32.27 1j3g s ARG 79 CO 0.12 -1.27 1.56 2.89 -0.81 0.00 0.00 175.30 177.80 1j3g n ARG 80 N -2.04 0.12 -0.55 5.12 1.85 -1.22 -2.05 116.66 117.90 1j3g n ARG 80 Ca 0.12 0.60 0.04 0.00 -1.00 0.00 0.00 57.85 57.60 1j3g n ARG 80 Cb 0.51 -1.88 0.24 0.00 -1.05 0.00 0.00 32.46 30.28 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1j3g n ASP 81 N -2.13 3.83 -3.40 2.89 2.03 -1.26 -3.61 116.55 114.90 1j3g n ASP 81 Ca -0.01 -2.57 -0.18 0.00 0.52 0.00 0.00 54.79 52.55 1j3g n ASP 81 Cb 0.04 -0.62 0.09 0.00 -0.72 0.00 0.00 41.12 39.91 1j3g n ASP 81 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3g n GLY 82 N 0.34 -0.38 3.11 0.27 0.00 -0.87 -5.03 105.19 102.63 1j3g n GLY 82 Ca 0.17 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1j3g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 83 N -5.54 2.65 -0.29 1.61 0.41 -1.19 -4.88 118.70 111.47 1j3g s GLU 83 Ca 0.13 -1.07 -0.28 0.00 -0.41 0.00 0.00 54.97 53.34 1j3g s GLU 83 Cb -0.06 -2.76 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 1j3g s GLU 83 CO 0.71 -0.39 1.02 0.42 -0.49 0.00 0.00 175.26 176.53 1j3g s ILE 84 N 1.21 4.61 0.06 -1.63 1.01 -1.26 -0.35 121.20 124.84 1j3g s ILE 84 Ca -0.02 1.77 0.05 0.00 0.00 0.00 0.00 60.65 62.45 1j3g s ILE 84 Cb -0.16 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1j3g s ILE 84 CO -0.08 -0.34 -0.07 -0.69 0.00 0.00 0.00 174.94 173.75 1j3g s VAL 85 N 3.40 3.56 -0.17 2.92 1.01 -0.94 -1.77 120.40 128.42 1j3g s VAL 85 Ca 0.43 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1j3g s VAL 85 Cb -0.13 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1j3g s VAL 85 CO 0.12 0.24 -0.13 -1.58 0.00 0.00 0.00 175.10 173.75 1j3g s GLN 86 N -1.85 2.21 -0.14 2.72 0.74 0.27 -2.36 119.66 121.25 1j3g s GLN 86 Ca 0.20 -0.68 0.02 0.00 0.05 0.00 0.00 55.36 54.95 1j3g s GLN 86 Cb -0.11 -2.24 0.01 0.00 1.10 0.00 0.00 33.01 31.77 1j3g s GLN 86 CO 0.11 -0.31 -0.19 0.71 -0.55 0.00 0.00 175.29 175.06 1j3g s TYR 87 N 1.45 2.49 -0.23 1.67 1.51 -0.37 -0.72 117.35 123.15 1j3g s TYR 87 Ca 0.03 -1.32 -0.01 0.00 -1.01 0.00 0.00 57.07 54.75 1j3g s TYR 87 Cb -0.14 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1j3g s TYR 87 CO -0.10 -0.64 0.03 0.28 -1.11 0.00 0.00 175.55 174.01 1j3g n VAL 88 N 4.32-10.06 -0.42 0.71 0.31 -1.26 -3.52 118.33 108.41 1j3g n VAL 88 Ca -0.20 1.56 0.00 0.00 -0.01 0.00 0.00 64.34 65.70 1j3g n VAL 88 Cb 0.51 -6.27 0.00 0.00 -0.91 0.00 0.00 33.84 27.17 1j3g n VAL 88 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1j3g n PRO 89 N 0.66 -0.91 0.00 5.55 -0.04 -1.26 -4.69 135.00 134.31 1j3g n PRO 89 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1j3g n PRO 89 Cb 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.53 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -2.37 0.00 -3.71 0.54 3.72 -1.26 -4.50 117.46 109.88 1j3g n PHE 90 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1j3g n PHE 90 Cb 0.00 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.39 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1j3g s ASP 91 N -1.24 0.28 0.00 4.37 2.15 -1.26 -4.98 116.67 115.99 1j3g s ASP 91 Ca 0.00 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1j3g s ASP 91 Cb 0.00 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 1j3g s ASP 91 CO 0.00 -0.19 0.00 1.17 -0.17 0.00 0.00 175.17 175.98 1j3g n LYS 92 N 4.74 0.00 -1.29 4.34 3.00 -1.26 -4.99 118.16 122.70 1j3g n LYS 92 Ca -0.16 0.37 -0.44 0.00 -0.00 0.00 0.00 58.31 58.08 1j3g n LYS 92 Cb 0.51 -1.08 -0.02 0.00 0.00 0.00 0.00 35.03 34.44 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j3g n ARG 93 N -0.33 0.00 -3.19 1.64 0.00 -1.26 -4.68 116.66 108.84 1j3g n ARG 93 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1j3g n ARG 93 Cb 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 32.46 31.55 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g n ALA 94 N -0.20 0.90 -3.60 5.13 0.00 -1.26 -2.75 120.51 118.73 1j3g n ALA 94 Ca 0.15 -1.90 -0.07 0.00 0.00 0.00 0.00 53.44 51.63 1j3g n ALA 94 Cb 0.26 0.67 -0.08 0.00 0.00 0.00 0.00 19.45 20.30 1j3g n ALA 94 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j3g s TRP 95 N -2.30 -0.93 -0.47 0.00 -0.00 -0.46 -4.72 118.94 110.07 1j3g s TRP 95 Ca 0.39 1.58 0.06 0.00 -0.00 0.00 0.00 56.10 58.13 1j3g s TRP 95 Cb -0.03 0.37 0.29 0.00 -0.00 0.00 0.00 33.47 34.10 1j3g s TRP 95 CO 0.25 -0.56 1.05 -2.39 -0.00 0.00 0.00 176.95 175.30 1j3g n HIS 96 N 5.40 -3.02 0.10 5.86 1.44 -1.26 -3.55 115.22 120.19 1j3g n HIS 96 Ca -0.08 -2.00 0.00 0.00 -2.01 0.00 0.00 57.72 53.63 1j3g n HIS 96 Cb 0.49 1.61 0.00 0.00 0.12 0.00 0.00 29.99 32.22 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.77 0.07 0.00 1.59 0.00 -1.26 -4.81 120.51 116.88 1j3g n ALA 97 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j3g n ALA 97 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1j3g n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3g n GLY 98 N -1.43 1.92 3.08 0.00 0.00 -1.26 -4.89 105.19 102.60 1j3g n GLY 98 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1j3g n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3g s VAL 99 N 0.00 -0.01 0.10 1.61 1.01 -1.26 -4.57 120.40 117.27 1j3g s VAL 99 Ca 0.00 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 1j3g s VAL 99 Cb 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1j3g s VAL 99 CO 0.00 0.02 0.92 -0.94 0.00 0.00 0.00 175.10 175.09 1j3g s SER 100 N 0.39 -0.26 -0.12 3.32 1.04 -1.14 -4.81 113.70 112.11 1j3g s SER 100 Ca -0.02 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 55.88 1j3g s SER 100 Cb -0.04 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1j3g s SER 100 CO -0.02 -0.81 0.67 -0.94 0.98 0.00 0.00 173.24 173.12 1j3g s SER 101 N -2.77 -0.66 0.01 7.02 1.04 -1.26 -0.47 113.70 116.61 1j3g s SER 101 Ca 0.09 0.94 -0.24 0.00 0.48 0.00 0.00 55.95 57.22 1j3g s SER 101 Cb -0.01 0.85 0.05 0.00 0.10 0.00 0.00 66.02 67.01 1j3g s SER 101 CO -0.02 -0.47 0.54 -0.47 0.98 0.00 0.00 173.24 173.79 1j3g s TYR 102 N -0.63 -0.46 -1.43 5.02 5.04 0.07 -4.30 117.35 120.67 1j3g s TYR 102 Ca -0.07 0.63 -0.12 0.00 -2.44 0.00 0.00 57.07 55.06 1j3g s TYR 102 Cb -0.02 0.33 0.02 0.00 0.35 0.00 0.00 41.96 42.64 1j3g s TYR 102 CO 0.06 -0.60 0.23 1.04 -1.34 0.00 0.00 175.55 174.94 1j3g n GLN 103 N 0.66 -0.68 -2.28 4.97 6.02 -1.26 -0.71 117.38 124.10 1j3g n GLN 103 Ca -0.19 0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 56.75 1j3g n GLN 103 Cb 0.59 -3.16 -0.01 0.00 1.02 0.00 0.00 30.24 28.67 1j3g n GLN 103 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j3g n GLY 104 N -2.42 -0.24 2.90 1.08 0.00 -1.26 -4.96 105.19 100.29 1j3g n GLY 104 Ca -0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1j3g n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3g s ARG 105 N -4.73 1.49 0.35 1.61 3.52 0.11 -5.13 118.95 116.16 1j3g s ARG 105 Ca 0.00 -0.40 -0.23 0.00 -0.13 0.00 0.00 55.73 54.97 1j3g s ARG 105 Cb 0.00 -1.83 -0.10 0.00 -1.56 0.00 0.00 34.95 31.46 1j3g s ARG 105 CO 0.00 -0.36 0.92 -2.00 -0.81 0.00 0.00 175.30 173.05 1j3g s GLU 106 N 1.66 4.40 -0.16 5.12 2.12 -1.26 -0.75 118.70 129.84 1j3g s GLU 106 Ca 0.03 1.18 0.00 0.00 0.36 0.00 0.00 54.97 56.54 1j3g s GLU 106 Cb -0.14 -2.57 0.03 0.00 0.26 0.00 0.00 34.13 31.71 1j3g s GLU 106 CO -0.08 0.18 -0.11 1.03 -0.54 0.00 0.00 175.26 175.74 1j3g s ARG 107 N -2.49 1.95 0.34 4.30 0.52 0.38 -4.92 118.95 119.03 1j3g s ARG 107 Ca 0.54 -0.56 0.18 0.00 -0.52 0.00 0.00 55.73 55.37 1j3g s ARG 107 Cb -0.15 -2.06 0.28 0.00 0.52 0.00 0.00 34.95 33.54 1j3g s ARG 107 CO 0.19 -0.32 1.55 0.00 0.02 0.00 0.00 175.30 176.74 1j3g s ASN 109 N -6.36 0.13 -1.19 0.00 0.02 -1.26 -4.70 114.94 101.57 1j3g s ASN 109 Ca 0.04 -1.34 -0.10 0.00 -1.02 0.00 0.00 52.86 50.43 1j3g s ASN 109 Cb 0.08 0.40 0.22 0.00 0.02 0.00 0.00 41.25 41.96 1j3g s ASN 109 CO 0.71 -0.87 1.49 -0.67 0.02 0.00 0.00 177.10 177.78 1j3g n ASP 110 N -0.28 5.44 -1.65 -1.22 -0.08 -1.26 -4.78 116.55 112.72 1j3g n ASP 110 Ca 0.02 -3.09 -0.09 0.00 -1.51 0.00 0.00 54.79 50.12 1j3g n ASP 110 Cb 0.66 -1.46 0.02 0.00 2.34 0.00 0.00 41.12 42.68 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1j3g n PHE 111 N 3.88 0.83 -4.57 -0.67 1.16 -1.26 -4.49 117.46 112.34 1j3g n PHE 111 Ca 0.33 -1.42 -0.22 0.00 -1.87 0.00 0.00 57.45 54.27 1j3g n PHE 111 Cb 0.39 -0.70 -0.14 0.00 -1.61 0.00 0.00 39.48 37.42 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N 0.92 1.87 -0.99 5.98 0.01 -1.26 -3.65 113.70 116.58 1j3g s SER 112 Ca 0.16 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.95 1j3g s SER 112 Cb 0.13 -0.17 -0.15 0.00 0.21 0.00 0.00 66.02 66.05 1j3g s SER 112 CO 0.00 0.13 3.08 0.00 0.41 0.00 0.00 173.24 176.86 1j3g n ILE 113 N 2.24 3.65 0.00 1.44 0.00 -1.26 -4.85 119.36 120.57 1j3g n ILE 113 Ca -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 62.75 60.51 1j3g n ILE 113 Cb 0.54 -2.35 0.00 0.00 0.00 0.00 0.00 39.64 37.84 1j3g n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j3g n GLY 114 N 3.21 0.88 3.19 4.50 0.00 -1.23 -4.78 105.19 110.97 1j3g n GLY 114 Ca 0.63 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1j3g n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3g s ILE 115 N 0.02 0.11 -0.05 -0.61 -1.09 -1.26 -4.46 121.20 113.85 1j3g s ILE 115 Ca 0.00 -0.89 -0.02 0.00 -2.23 0.00 0.00 60.65 57.51 1j3g s ILE 115 Cb 0.00 -0.97 0.04 0.00 -1.58 0.00 0.00 42.46 39.95 1j3g s ILE 115 CO 0.00 -0.49 0.11 -0.70 -1.23 0.00 0.00 174.94 172.63 1j3g s GLU 116 N -2.72 0.05 0.32 2.79 2.12 -0.11 -3.33 118.70 117.83 1j3g s GLU 116 Ca -0.04 0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.64 1j3g s GLU 116 Cb -0.00 -0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1j3g s GLU 116 CO -0.05 -0.17 0.49 -0.51 -0.54 0.00 0.00 175.26 174.49 1j3g s LEU 117 N 1.15 4.05 0.05 2.70 1.02 -0.99 -1.97 118.68 124.69 1j3g s LEU 117 Ca -0.09 0.20 0.08 0.00 0.02 0.00 0.00 54.13 54.34 1j3g s LEU 117 Cb -0.12 -3.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.01 1j3g s LEU 117 CO -0.05 -0.30 -0.23 -0.70 0.02 0.00 0.00 176.35 175.09 1j3g s GLU 118 N -4.22 1.55 0.28 1.70 -6.30 -0.63 -1.99 118.70 109.10 1j3g s GLU 118 Ca 0.40 -1.02 -0.20 0.00 -2.50 0.00 0.00 54.97 51.65 1j3g s GLU 118 Cb -0.09 -1.70 0.05 0.00 0.00 0.00 0.00 34.13 32.38 1j3g s GLU 118 CO 0.33 0.44 0.84 0.20 0.02 0.00 0.00 175.26 177.08 1j3g s GLY 119 N -1.23 0.09 -0.25 -1.50 0.00 -1.25 -3.38 107.32 99.80 1j3g s GLY 119 Ca 0.09 -0.41 -0.02 0.00 0.00 0.00 0.00 44.72 44.39 1j3g s GLY 119 CO 0.02 0.23 0.34 -0.51 0.00 0.00 0.00 173.10 173.18 1j3g s THR 120 N -2.93 -0.51 -1.49 0.90 -4.23 -1.26 -4.67 115.64 101.45 1j3g s THR 120 Ca 0.15 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1j3g s THR 120 Cb -0.04 -0.85 0.02 0.00 1.34 0.00 0.00 72.50 72.97 1j3g s THR 120 CO 0.08 -0.23 0.33 -0.67 -0.54 0.00 0.00 174.62 173.59 1j3g n ASP 121 N 5.34 -0.25 -3.72 3.99 2.03 -1.26 -1.45 116.55 121.23 1j3g n ASP 121 Ca -0.03 -1.09 -0.28 0.00 0.52 0.00 0.00 54.79 53.90 1j3g n ASP 121 Cb 0.49 -2.57 0.01 0.00 -0.72 0.00 0.00 41.12 38.34 1j3g n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1j3g n THR 122 N -4.45 -1.65 -1.80 5.18 -2.24 -1.26 -4.96 114.28 103.11 1j3g n THR 122 Ca -0.27 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.11 1j3g n THR 122 Cb 0.67 -2.53 0.01 0.00 -2.10 0.00 0.00 70.33 66.38 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -7.03 4.17 -0.30 3.22 0.20 -0.53 -4.72 118.68 113.69 1j3g s LEU 123 Ca 0.58 2.96 -0.27 0.00 0.69 0.00 0.00 54.13 58.08 1j3g s LEU 123 Cb -0.29 -3.86 -0.12 0.00 -0.43 0.00 0.00 46.19 41.49 1j3g s LEU 123 CO 0.71 -1.10 1.18 0.00 -0.29 0.00 0.00 176.35 176.85 1j3g n ALA 124 N -0.02 -0.21 0.63 5.97 0.00 -1.26 -4.79 120.51 120.83 1j3g n ALA 124 Ca 0.04 0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1j3g n ALA 124 Cb 0.41 -1.22 0.41 0.00 0.00 0.00 0.00 19.45 19.05 1j3g n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j3g n TYR 125 N 3.77 0.91 -2.60 0.00 4.01 -1.26 -4.66 117.16 117.33 1j3g n TYR 125 Ca 0.28 0.27 -0.05 0.00 -0.16 0.00 0.00 57.90 58.24 1j3g n TYR 125 Cb -0.03 -0.94 0.01 0.00 -0.31 0.00 0.00 39.34 38.07 1j3g n TYR 125 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1j3g n THR 126 N -2.25 -9.04 -0.12 -0.72 -2.24 -1.24 -4.45 114.28 94.22 1j3g n THR 126 Ca 0.05 0.54 0.10 0.00 -2.27 0.00 0.00 64.05 62.47 1j3g n THR 126 Cb 0.42 -6.55 0.16 0.00 -2.10 0.00 0.00 70.33 62.27 1j3g n THR 126 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1j3g n ASP 127 N -0.58 0.03 -0.47 3.42 9.92 -1.26 -0.34 116.55 127.27 1j3g n ASP 127 Ca 0.08 0.28 0.39 0.00 -0.53 0.00 0.00 54.79 55.00 1j3g n ASP 127 Cb 0.39 -0.14 0.68 0.00 -0.64 0.00 0.00 41.12 41.41 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g h ALA 128 N 0.30 2.93 0.08 2.24 0.00 -1.98 0.51 119.26 123.34 1j3g h ALA 128 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 128 Cb 0.70 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1j3g h ALA 128 CO -0.07 -1.51 -0.40 1.96 0.00 0.00 0.00 179.25 179.23 1j3g h GLN 129 N 0.08 -0.59 -0.82 0.00 4.20 -0.91 -1.44 115.11 115.63 1j3g h GLN 129 Ca 0.81 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.67 1j3g h GLN 129 Cb 2.69 0.13 -0.08 0.00 0.30 0.00 0.00 27.48 30.53 1j3g h GLN 129 CO -0.31 -0.39 0.45 1.88 -0.67 0.00 0.00 178.83 179.78 1j3g h TYR 130 N -0.61 0.80 0.63 2.96 0.05 -1.12 0.60 116.97 120.28 1j3g h TYR 130 Ca 0.03 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1j3g h TYR 130 Cb 0.65 -0.23 0.01 0.00 1.01 0.00 0.00 36.73 38.17 1j3g h TYR 130 CO -0.37 0.27 -0.30 1.96 -1.05 0.00 0.00 178.16 178.68 1j3g h GLN 131 N 0.71 -0.81 -0.37 4.88 4.20 -1.36 -0.88 115.11 121.48 1j3g h GLN 131 Ca 0.42 0.06 -0.09 0.00 0.06 0.00 0.00 58.65 59.09 1j3g h GLN 131 Cb 0.47 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1j3g h GLN 131 CO -0.29 -0.50 -0.14 1.96 -0.67 0.00 0.00 178.83 179.18 1j3g h GLN 132 N -1.14 0.67 -0.87 1.46 1.08 -1.14 -2.56 115.11 112.61 1j3g h GLN 132 Ca -0.09 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1j3g h GLN 132 Cb 0.68 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.01 1j3g h GLN 132 CO 0.14 0.79 0.51 1.25 -0.95 0.00 0.00 178.83 180.56 1j3g h LEU 133 N 0.61 1.05 -0.85 1.46 6.46 -0.92 -1.44 115.31 121.69 1j3g h LEU 133 Ca 0.10 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1j3g h LEU 133 Cb 0.59 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 1j3g h LEU 133 CO 0.04 0.82 0.34 0.00 -0.62 0.00 0.00 178.44 179.02 1j3g h ALA 134 N 1.35 1.09 0.25 1.25 0.00 -0.87 0.16 119.26 122.49 1j3g h ALA 134 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j3g h ALA 134 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1j3g h ALA 134 CO -0.06 0.66 -0.19 0.00 0.00 0.00 0.00 179.25 179.67 1j3g h ALA 135 N 1.21 -0.43 -0.88 0.00 0.00 -0.98 -0.29 119.26 117.89 1j3g h ALA 135 Ca 0.27 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 135 Cb 0.19 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1j3g h ALA 135 CO -0.03 -0.76 0.52 0.28 0.00 0.00 0.00 179.25 179.27 1j3g h VAL 136 N -0.45 0.92 -0.56 0.00 2.07 -0.98 -1.01 116.25 116.24 1j3g h VAL 136 Ca -0.02 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1j3g h VAL 136 Cb 0.39 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1j3g h VAL 136 CO -0.00 0.16 0.36 0.74 0.02 0.00 0.00 177.57 178.85 1j3g h THR 137 N 0.86 1.12 -0.58 2.57 2.02 -0.20 0.02 112.91 118.72 1j3g h THR 137 Ca 0.42 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1j3g h THR 137 Cb 0.37 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1j3g h THR 137 CO -0.25 0.13 0.35 0.78 0.37 0.00 0.00 175.52 176.91 1j3g h ASN 138 N 0.73 0.57 0.58 4.18 -0.26 -0.04 -1.54 115.58 119.80 1j3g h ASN 138 Ca 0.21 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.93 1j3g h ASN 138 Cb -0.05 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1j3g h ASN 138 CO -0.06 0.40 -0.28 0.00 -1.06 0.00 0.00 177.43 176.43 1j3g h ALA 139 N 1.26 -0.78 -0.62 -0.83 0.00 -0.42 -2.30 119.26 115.56 1j3g h ALA 139 Ca 0.23 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 139 Cb 0.02 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1j3g h ALA 139 CO -0.10 -0.90 0.31 -0.07 0.00 0.00 0.00 179.25 178.50 1j3g h LEU 140 N -0.86 0.43 -0.83 0.00 -0.00 -0.97 -1.38 115.31 111.70 1j3g h LEU 140 Ca -0.08 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 57.92 1j3g h LEU 140 Cb 0.63 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.19 1j3g h LEU 140 CO 0.13 0.28 0.50 0.40 -0.00 0.00 0.00 178.44 179.75 1j3g h ILE 141 N 0.58 0.98 0.00 1.22 2.04 -1.23 0.72 117.51 121.82 1j3g h ILE 141 Ca 0.29 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1j3g h ILE 141 Cb 0.23 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1j3g h ILE 141 CO -0.21 0.16 -0.01 0.74 0.00 0.00 0.00 178.15 178.83 1j3g h THR 142 N 0.88 0.03 0.00 -0.27 2.02 -0.66 -2.75 112.91 112.16 1j3g h THR 142 Ca 0.38 -0.34 -0.27 0.00 0.77 0.00 0.00 66.41 66.95 1j3g h THR 142 Cb 0.25 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1j3g h THR 142 CO -0.20 0.01 -1.55 0.54 0.37 0.00 0.00 175.52 174.68 1j3g n ARG 143 N -3.12 0.56 -3.93 6.66 5.12 -0.54 -4.80 116.66 116.61 1j3g n ARG 143 Ca -0.01 0.47 -0.30 0.00 -1.93 0.00 0.00 57.85 56.09 1j3g n ARG 143 Cb 0.22 -1.66 -0.16 0.00 -1.16 0.00 0.00 32.46 29.70 1j3g n ARG 143 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1j3g s TYR 144 N -2.41 2.17 -0.48 -1.55 2.02 0.13 -5.02 117.35 112.21 1j3g s TYR 144 Ca -0.31 -1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 54.67 1j3g s TYR 144 Cb 0.08 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1j3g s TYR 144 CO 0.53 -0.72 0.73 -1.25 -1.57 0.00 0.00 175.55 173.26 1j3g s PRO 145 N 1.47 3.27 0.04 -1.71 0.04 -1.04 -4.03 135.00 133.04 1j3g s PRO 145 Ca -0.03 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1j3g s PRO 145 Cb -0.17 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1j3g s PRO 145 CO -0.07 -1.19 0.00 0.00 0.04 0.00 0.00 177.00 175.78 1j3g n ALA 146 N 6.57 1.16 -0.42 8.56 0.00 -1.26 -4.94 120.51 130.17 1j3g n ALA 146 Ca -0.02 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.78 1j3g n ALA 146 Cb 0.47 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.59 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.29 -0.53 0.00 2.04 -1.76 -0.01 117.51 117.54 1j3g h ILE 147 Ca 0.00 -0.04 0.15 0.00 1.00 0.00 0.00 64.86 65.97 1j3g h ILE 147 Cb 0.00 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1j3g h ILE 147 CO 0.00 0.02 0.52 0.00 0.00 0.00 0.00 178.15 178.70 1j3g h ALA 148 N 1.47 2.30 0.00 1.87 0.00 -1.92 -1.23 119.26 121.74 1j3g h ALA 148 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1j3g h ALA 148 Cb 2.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1j3g h ALA 148 CO -0.21 -0.80 -0.19 0.09 0.00 0.00 0.00 179.25 178.14 1j3g n ASN 149 N -3.78 1.27 -3.46 0.00 4.13 -0.03 -4.73 115.26 108.66 1j3g n ASN 149 Ca 0.10 -2.45 -0.28 0.00 1.68 0.00 0.00 54.58 53.63 1j3g n ASN 149 Cb 0.73 -0.28 -0.11 0.00 -1.54 0.00 0.00 39.78 38.58 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1j3g s ASN 150 N -1.83 2.17 -0.19 6.41 -0.87 -0.47 -4.95 114.94 115.22 1j3g s ASN 150 Ca 0.15 -2.85 -0.00 0.00 -1.57 0.00 0.00 52.86 48.59 1j3g s ASN 150 Cb 0.13 -0.53 0.05 0.00 -0.02 0.00 0.00 41.25 40.88 1j3g s ASN 150 CO 0.01 -0.21 -0.06 -0.04 -2.57 0.00 0.00 177.10 174.23 1j3g s MET 151 N 0.26 1.58 0.13 -0.60 -1.94 -1.26 -2.27 119.30 115.21 1j3g s MET 151 Ca 0.27 -0.67 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1j3g s MET 151 Cb -0.06 -2.21 0.01 0.00 2.01 0.00 0.00 34.83 34.59 1j3g s MET 151 CO -0.13 -0.47 0.23 -2.37 -0.01 0.00 0.00 175.02 172.27 1j3g n THR 152 N 4.80 0.00 0.00 2.05 5.66 -0.75 -5.03 114.28 121.02 1j3g n THR 152 Ca -0.12 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1j3g n THR 152 Cb 0.47 0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 1j3g n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3g n GLY 153 N -0.20 4.23 0.00 1.09 0.00 -1.26 0.10 105.19 109.16 1j3g n GLY 153 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1j3g n GLY 153 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j3g n HIS 154 N 0.00 0.00 0.14 1.61 -0.00 0.06 -4.67 115.22 112.35 1j3g n HIS 154 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1j3g n HIS 154 Cb 0.00 -0.06 -0.15 0.00 -0.00 0.00 0.00 29.99 29.78 1j3g n HIS 154 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j3g n ASN 156 N -2.07 6.07 0.28 0.00 5.15 -1.00 -4.29 115.26 119.39 1j3g n ASN 156 Ca -0.02 -2.89 0.15 0.00 -0.60 0.00 0.00 54.58 51.22 1j3g n ASN 156 Cb 0.48 -1.17 0.79 0.00 -0.53 0.00 0.00 39.78 39.35 1j3g n ASN 156 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1j3g h ILE 157 N 1.40 0.37 0.00 -1.44 -2.65 -1.77 -3.41 117.51 110.01 1j3g h ILE 157 Ca 0.25 -0.47 0.00 0.00 1.03 0.00 0.00 64.86 65.67 1j3g h ILE 157 Cb 0.97 1.34 0.00 0.00 -2.05 0.00 0.00 36.82 37.08 1j3g h ILE 157 CO 0.56 0.08 0.00 0.00 0.03 0.00 0.00 178.15 178.83 1j3g n ALA 158 N -2.21 1.26 -2.59 0.16 0.00 -1.26 -4.34 120.51 111.52 1j3g n ALA 158 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1j3g n ALA 158 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -2.00 3.65 0.54 0.00 0.04 -1.26 -4.92 135.00 131.05 1j3g s PRO 159 Ca 0.00 0.43 0.27 0.00 0.04 0.00 0.00 61.00 61.74 1j3g s PRO 159 Cb 0.00 -3.93 1.57 0.00 0.04 0.00 0.00 34.50 32.17 1j3g s PRO 159 CO 0.00 -1.42 2.14 1.49 0.04 0.00 0.00 177.00 179.25 1j3g h GLU 160 N 9.27 0.00 0.00 4.56 4.81 -1.89 -3.06 114.58 128.27 1j3g h GLU 160 Ca -0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1j3g h GLU 160 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1j3g h GLU 160 CO 1.12 0.07 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.38 1j3g h ARG 161 N 0.00 0.00 -4.00 1.92 2.43 -1.95 -3.38 114.38 109.40 1j3g h ARG 161 Ca -0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 1j3g h ARG 161 Cb 0.19 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.41 1j3g h ARG 161 CO 0.01 0.01 -0.76 0.15 -1.51 0.00 0.00 179.97 177.87 1j3g s LYS 162 N -4.41 0.59 -0.01 0.20 -0.14 -1.15 -4.91 119.74 109.91 1j3g s LYS 162 Ca -0.05 -0.07 0.07 0.00 -1.36 0.00 0.00 55.97 54.56 1j3g s LYS 162 Cb 0.14 -0.64 -0.09 0.00 -1.68 0.00 0.00 37.83 35.55 1j3g s LYS 162 CO 0.50 -0.05 0.20 2.41 -0.76 0.00 0.00 175.35 177.65 1j3g n THR 163 N 3.83 0.00 -3.88 2.17 -1.04 -1.26 -2.37 114.28 111.73 1j3g n THR 163 Ca -0.23 -0.23 -0.02 0.00 -2.04 0.00 0.00 64.05 61.52 1j3g n THR 163 Cb 0.52 0.60 0.02 0.00 -1.82 0.00 0.00 70.33 69.65 1j3g n THR 163 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j3g n ASP 164 N -1.51 -1.58 -4.31 8.00 2.03 -1.26 -0.60 116.55 117.32 1j3g n ASP 164 Ca -0.00 -1.81 -0.36 0.00 0.52 0.00 0.00 54.79 53.15 1j3g n ASP 164 Cb 0.15 2.57 -0.04 0.00 -0.72 0.00 0.00 41.12 43.07 1j3g n ASP 164 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1j3g n PRO 165 N -0.69 2.00 0.00 -0.67 -0.04 -1.26 -3.94 135.00 130.40 1j3g n PRO 165 Ca -0.02 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1j3g n PRO 165 Cb 0.54 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1j3g n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 166 N 5.31 0.75 0.13 0.55 0.00 -1.26 -5.03 105.19 105.64 1j3g n GLY 166 Ca 0.47 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 1j3g n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3g h PRO 167 N 0.00 -0.19 -6.25 1.61 0.13 -1.92 -3.43 132.00 121.95 1j3g h PRO 167 Ca 0.00 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.68 1j3g h PRO 167 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1j3g h PRO 167 CO 0.00 0.07 -0.78 0.45 -0.23 0.00 0.00 178.00 177.51 1j3g n SER 168 N -4.89 -3.70 -1.82 1.44 2.88 -1.26 -4.83 113.62 101.44 1j3g n SER 168 Ca -0.05 -0.80 0.07 0.00 -1.33 0.00 0.00 58.87 56.76 1j3g n SER 168 Cb 0.18 -3.91 0.39 0.00 -0.75 0.00 0.00 64.21 60.11 1j3g n SER 168 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1j3g n PHE 169 N -4.57 1.96 -3.78 0.66 7.35 -1.26 -4.95 117.46 112.87 1j3g n PHE 169 Ca -0.06 -0.68 -0.28 0.00 -0.76 0.00 0.00 57.45 55.67 1j3g n PHE 169 Cb 0.57 -0.48 0.01 0.00 0.35 0.00 0.00 39.48 39.93 1j3g n PHE 169 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j3g n ASP 170 N 0.64 -5.00 -0.15 -2.13 -0.08 -1.26 -4.46 116.55 104.11 1j3g n ASP 170 Ca 0.26 -0.97 0.19 0.00 -1.51 0.00 0.00 54.79 52.77 1j3g n ASP 170 Cb 1.14 -2.14 0.57 0.00 2.34 0.00 0.00 41.12 43.03 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1j3g h TRP 171 N -0.86 0.33 0.19 -0.67 4.06 -1.98 0.20 115.95 117.23 1j3g h TRP 171 Ca -0.60 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.35 1j3g h TRP 171 Cb 1.36 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 1j3g h TRP 171 CO 0.27 0.12 -0.09 0.00 -3.56 0.00 0.00 178.44 175.17 1j3g h ALA 172 N 1.65 -0.25 -0.25 1.49 0.00 -1.99 -1.18 119.26 118.72 1j3g h ALA 172 Ca 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1j3g h ALA 172 Cb 1.05 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1j3g h ALA 172 CO -0.09 -0.48 0.01 0.00 0.00 0.00 0.00 179.25 178.69 1j3g h ARG 173 N -0.57 0.44 0.18 0.00 3.08 -1.55 -2.10 114.38 113.85 1j3g h ARG 173 Ca -0.03 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1j3g h ARG 173 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1j3g h ARG 173 CO 0.04 0.60 -0.08 0.35 -1.07 0.00 0.00 179.97 179.80 1j3g h PHE 174 N 0.22 -0.22 -0.94 3.04 3.57 -0.73 0.01 116.94 121.89 1j3g h PHE 174 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1j3g h PHE 174 Cb 0.39 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1j3g h PHE 174 CO 0.03 -0.08 0.62 -0.09 -2.23 0.00 0.00 178.31 176.56 1j3g h ARG 175 N -0.30 1.20 -0.28 1.11 1.12 -1.28 -0.83 114.38 115.12 1j3g h ARG 175 Ca -0.02 -0.07 -0.06 0.00 -1.11 0.00 0.00 59.98 58.71 1j3g h ARG 175 Cb 0.24 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 29.91 1j3g h ARG 175 CO 0.04 0.79 -0.11 0.00 -3.11 0.00 0.00 179.97 177.59 1j3g h ALA 176 N 1.43 1.30 0.19 2.80 0.00 -1.07 -3.09 119.26 120.81 1j3g h ALA 176 Ca 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j3g h ALA 176 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1j3g h ALA 176 CO -0.09 0.47 -0.09 -0.07 0.00 0.00 0.00 179.25 179.47 1j3g h LEU 177 N 0.43 -0.21-10.29 0.00 3.38 0.12 -3.46 115.31 105.28 1j3g h LEU 177 Ca 0.08 -0.22 -0.51 0.00 0.09 0.00 0.00 57.88 57.33 1j3g h LEU 177 Cb 0.45 0.05 0.17 0.00 0.09 0.00 0.00 40.66 41.42 1j3g h LEU 177 CO 0.03 0.12 0.25 -0.69 0.09 0.00 0.00 178.44 178.23 1j3g s VAL 178 N -4.87 2.63 0.06 1.22 1.01 -0.43 -4.93 120.40 115.10 1j3g s VAL 178 Ca -0.15 0.20 -0.37 0.00 0.00 0.00 0.00 61.98 61.67 1j3g s VAL 178 Cb 0.03 -2.48 -0.18 0.00 0.00 0.00 0.00 36.38 33.74 1j3g s VAL 178 CO 0.60 -0.27 1.06 0.41 0.00 0.00 0.00 175.10 176.91 1j3g n THR 179 N -3.97 0.36 -0.37 3.92 -1.04 -1.26 -4.81 114.28 107.11 1j3g n THR 179 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j3g n THR 179 Cb 0.53 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 1.66 0.78 -4.18 -2.82 -0.04 -1.26 -4.67 135.00 124.47 1j3g n PRO 180 Ca 0.19 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 1j3g n PRO 180 Cb 0.14 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 1.59 -3.37 -3.15 3.54 2.88 -1.26 -4.91 113.62 108.94 1j3g n SER 181 Ca 0.00 -0.97 0.04 0.00 -1.33 0.00 0.00 58.87 56.60 1j3g n SER 181 Cb 0.39 -2.76 -0.00 0.00 -0.75 0.00 0.00 64.21 61.09 1j3g n SER 181 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j3g s SER 182 N -3.24 -1.57 -0.30 -3.46 0.15 -1.26 -5.13 113.70 98.89 1j3g s SER 182 Ca 0.74 0.27 -0.17 0.00 0.70 0.00 0.00 55.95 57.49 1j3g s SER 182 Cb -0.40 2.04 0.19 0.00 -1.71 0.00 0.00 66.02 66.14 1j3g s SER 182 CO 0.90 -0.30 1.20 -2.28 1.20 0.00 0.00 173.24 173.97 1j3g s HIS 183 N 2.83 -0.20 0.12 3.44 2.46 -1.26 -5.05 115.29 117.63 1j3g s HIS 183 Ca 0.11 0.39 -0.31 0.00 0.47 0.00 0.00 55.06 55.73 1j3g s HIS 183 Cb -0.11 0.12 -0.07 0.00 -0.13 0.00 0.00 32.58 32.39 1j3g s HIS 183 CO -0.25 -0.10 1.26 0.21 -2.47 0.00 0.00 174.74 173.39 1j3g s LYS 184 N 1.43 4.41 0.88 2.88 2.20 -1.26 -5.03 119.74 125.25 1j3g s LYS 184 Ca -0.06 1.91 -0.15 0.00 -0.36 0.00 0.00 55.97 57.31 1j3g s LYS 184 Cb -0.02 -3.28 0.21 0.00 -1.51 0.00 0.00 37.83 33.23 1j3g s LYS 184 CO -0.13 -0.26 1.09 -0.85 -0.36 0.00 0.00 175.35 174.84 1j3g n GLU 185 N 3.43 -1.46 -3.21 4.03 -0.00 -1.26 -5.07 120.64 117.10 1j3g n GLU 185 Ca 0.08 -1.70 -0.23 0.00 -0.00 0.00 0.00 57.16 55.31 1j3g n GLU 185 Cb 0.44 -1.21 -0.07 0.00 -0.00 0.00 0.00 31.44 30.60 1j3g n GLU 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1j3g n MET 186 N -3.59 0.52 -0.80 3.44 1.56 -1.26 -5.19 117.12 111.79 1j3g n MET 186 Ca 0.14 -3.05 0.00 0.00 -0.27 0.00 0.00 57.70 54.52 1j3g n MET 186 Cb 0.49 -1.40 0.00 0.00 2.15 0.00 0.00 33.22 34.46 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65