#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 3.56 -4.17 -0.89 0.00 -1.26 -4.99 117.00 109.25 1j3g n LEU 2 Ca 0.00 1.00 -0.33 0.00 0.00 0.00 0.00 56.01 56.69 1j3g n LEU 2 Cb 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 43.42 41.81 1j3g n LEU 2 CO 0.00 -0.04 -0.53 -0.76 0.00 0.00 0.00 177.39 176.06 1j3g s LEU 3 N 2.78 2.16 0.09 -1.96 1.43 -1.26 -3.17 118.68 118.74 1j3g s LEU 3 Ca 0.85 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1j3g s LEU 3 Cb -0.61 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1j3g s LEU 3 CO 0.43 0.06 -0.21 -0.62 0.23 0.00 0.00 176.35 176.24 1j3g s ASP 4 N 0.91 2.56 -1.31 2.29 2.15 -0.44 -4.67 116.67 118.17 1j3g s ASP 4 Ca -0.04 -0.64 -0.05 0.00 0.43 0.00 0.00 52.55 52.24 1j3g s ASP 4 Cb -0.15 -0.16 0.03 0.00 -0.30 0.00 0.00 42.92 42.34 1j3g s ASP 4 CO -0.04 0.09 0.35 -0.62 -0.17 0.00 0.00 175.17 174.78 1j3g n GLU 5 N 1.30 -3.32 -1.51 4.34 1.02 -1.26 -0.69 120.64 120.51 1j3g n GLU 5 Ca -0.19 0.64 -0.17 0.00 -0.02 0.00 0.00 57.16 57.42 1j3g n GLU 5 Cb 0.53 -5.35 -0.07 0.00 -0.02 0.00 0.00 31.44 26.53 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3g n GLY 6 N -1.14 1.68 3.46 0.62 0.00 -1.26 -4.97 105.19 103.58 1j3g n GLY 6 Ca -0.09 -0.03 -0.23 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 -2.52 1.77 0.15 1.61 0.52 0.13 -5.11 118.94 115.49 1j3g s TRP 7 Ca 0.00 -1.28 -0.31 0.00 0.02 0.00 0.00 56.10 54.53 1j3g s TRP 7 Cb 0.00 -1.09 -0.09 0.00 -1.15 0.00 0.00 33.47 31.14 1j3g s TRP 7 CO 0.00 -0.33 1.45 -1.17 0.02 0.00 0.00 176.95 176.92 1j3g s LEU 8 N -3.53 4.37 0.27 2.99 0.20 -1.26 -1.33 118.68 120.39 1j3g s LEU 8 Ca 0.29 2.47 -0.30 0.00 0.69 0.00 0.00 54.13 57.28 1j3g s LEU 8 Cb 0.04 -3.59 -0.10 0.00 -0.43 0.00 0.00 46.19 42.11 1j3g s LEU 8 CO 0.16 -0.71 1.36 0.00 -0.29 0.00 0.00 176.35 176.87 1j3g s ALA 9 N 0.95 3.56 -1.18 5.97 0.00 -1.19 -3.22 121.76 126.65 1j3g s ALA 9 Ca 0.66 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.69 1j3g s ALA 9 Cb -0.40 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.21 1j3g s ALA 9 CO 0.32 -0.66 0.74 0.39 0.00 0.00 0.00 175.76 176.55 1j3g n GLU 10 N 1.82 -1.52 -3.76 0.00 1.02 -1.26 -4.98 120.64 111.96 1j3g n GLU 10 Ca 0.04 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.49 1j3g n GLU 10 Cb 0.41 -4.11 -0.13 0.00 -0.02 0.00 0.00 31.44 27.60 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 -3.54 -0.47 -0.00 0.62 0.00 -1.20 -4.40 121.76 112.78 1j3g s ALA 11 Ca 0.41 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1j3g s ALA 11 Cb -0.15 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1j3g s ALA 11 CO 0.87 -0.15 1.55 0.50 0.00 0.00 0.00 175.76 178.53 1j3g s ARG 12 N 0.87 4.22 -0.14 0.00 6.06 0.13 -4.82 118.95 125.26 1j3g s ARG 12 Ca -0.06 2.14 -0.18 0.00 -2.50 0.00 0.00 55.73 55.12 1j3g s ARG 12 Cb -0.08 -3.71 -0.04 0.00 0.06 0.00 0.00 34.95 31.18 1j3g s ARG 12 CO -0.05 -0.71 0.49 -0.98 -2.50 0.00 0.00 175.30 171.54 1j3g s ARG 13 N 3.02 4.29 -0.40 5.12 1.70 -1.26 -0.59 118.95 130.83 1j3g s ARG 13 Ca 0.70 0.43 0.03 0.00 -0.47 0.00 0.00 55.73 56.42 1j3g s ARG 13 Cb -0.34 -3.48 0.16 0.00 -0.57 0.00 0.00 34.95 30.72 1j3g s ARG 13 CO 0.29 0.06 0.39 0.08 -1.08 0.00 0.00 175.30 175.03 1j3g s VAL 14 N 0.94 -0.14 0.60 4.99 1.01 -0.24 -4.94 120.40 122.62 1j3g s VAL 14 Ca 0.25 -1.63 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 1j3g s VAL 14 Cb -0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1j3g s VAL 14 CO 0.10 -0.78 1.13 -2.16 0.00 0.00 0.00 175.10 173.39 1j3g s PRO 15 N 0.86 3.09 -0.10 2.72 0.04 -1.26 -4.15 135.00 136.20 1j3g s PRO 15 Ca 0.24 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 1j3g s PRO 15 Cb -0.08 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.52 1j3g s PRO 15 CO -0.08 -1.04 0.25 0.45 0.04 0.00 0.00 177.00 176.62 1j3g s SER 16 N -2.09 -0.27 -0.17 6.66 0.15 -1.26 -5.01 113.70 111.71 1j3g s SER 16 Ca 0.71 0.53 -0.03 0.00 0.70 0.00 0.00 55.95 57.85 1j3g s SER 16 Cb -0.23 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1j3g s SER 16 CO 0.33 -0.15 2.66 -0.81 1.20 0.00 0.00 173.24 176.47 1j3g n PRO 17 N 3.89 1.78 -2.29 5.44 -0.04 -1.26 -4.42 135.00 138.11 1j3g n PRO 17 Ca -0.22 -1.16 -0.21 0.00 -0.04 0.00 0.00 63.50 61.87 1j3g n PRO 17 Cb 0.54 -1.68 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.63 -1.37 0.54 -0.00 -1.26 -5.07 115.22 112.08 1j3g n HIS 18 Ca 0.30 -2.48 -0.30 0.00 0.46 0.00 0.00 57.72 55.71 1j3g n HIS 18 Cb 0.65 -0.26 0.23 0.00 -0.12 0.00 0.00 29.99 30.50 1j3g n HIS 18 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1j3g n TYR 19 N -0.60 -3.94 -4.63 1.57 4.01 -1.26 -4.41 117.16 107.91 1j3g n TYR 19 Ca 0.36 -1.06 -0.32 0.00 -0.16 0.00 0.00 57.90 56.71 1j3g n TYR 19 Cb 0.86 -1.10 -0.06 0.00 -0.31 0.00 0.00 39.34 38.72 1j3g n TYR 19 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1j3g s ASP 20 N -4.99 4.22 -0.21 7.72 1.01 -1.04 -4.95 116.67 118.43 1j3g s ASP 20 Ca 0.73 -1.60 -0.06 0.00 0.71 0.00 0.00 52.55 52.33 1j3g s ASP 20 Cb -0.05 0.53 0.10 0.00 1.01 0.00 0.00 42.92 44.51 1j3g s ASP 20 CO 0.54 -0.90 0.43 0.00 0.21 0.00 0.00 175.17 175.45 1j3g s ARG 22 N 2.63 0.50 -1.50 0.00 1.81 -1.26 -5.06 118.95 116.07 1j3g s ARG 22 Ca 0.00 -0.52 -0.13 0.00 -1.72 0.00 0.00 55.73 53.37 1j3g s ARG 22 Cb -0.13 -0.37 0.01 0.00 -0.45 0.00 0.00 34.95 34.01 1j3g s ARG 22 CO -0.14 0.08 2.43 -0.35 -0.68 0.00 0.00 175.30 176.64 1j3g n PRO 23 N 2.11 3.11 -3.68 3.54 -0.04 -1.26 -4.75 135.00 134.03 1j3g n PRO 23 Ca -0.18 -2.51 -0.14 0.00 -0.04 0.00 0.00 63.50 60.62 1j3g n PRO 23 Cb 0.56 -3.15 -0.08 0.00 -0.04 0.00 0.00 33.50 30.79 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 2.86 -0.49 -0.27 3.54 1.01 -1.26 -5.14 116.67 116.92 1j3g s ASP 24 Ca 0.53 0.79 -0.00 0.00 0.71 0.00 0.00 52.55 54.58 1j3g s ASP 24 Cb 0.15 0.81 0.15 0.00 1.01 0.00 0.00 42.92 45.04 1j3g s ASP 24 CO -0.08 -0.31 0.38 -1.81 0.21 0.00 0.00 175.17 173.55 1j3g s ASP 25 N -0.31 0.55 0.23 0.27 1.01 -1.26 -5.10 116.67 112.06 1j3g s ASP 25 Ca -0.05 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.00 1j3g s ASP 25 Cb -0.03 1.00 -0.05 0.00 1.01 0.00 0.00 42.92 44.85 1j3g s ASP 25 CO 0.03 -0.34 0.10 -0.70 0.21 0.00 0.00 175.17 174.47 1j3g s GLU 26 N 2.51 1.31 0.05 8.23 2.56 -1.26 -5.13 118.70 126.97 1j3g s GLU 26 Ca 0.11 -1.69 -0.30 0.00 0.00 0.00 0.00 54.97 53.08 1j3g s GLU 26 Cb -0.14 -0.07 -0.08 0.00 2.00 0.00 0.00 34.13 35.84 1j3g s GLU 26 CO -0.25 -0.31 1.72 1.21 -0.56 0.00 0.00 175.26 177.07 1j3g s ASN 27 N -3.25 6.57 -0.60 -1.70 3.84 -1.26 -4.96 114.94 113.58 1j3g s ASN 27 Ca 0.37 2.50 -0.24 0.00 0.21 0.00 0.00 52.86 55.70 1j3g s ASN 27 Cb 0.07 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.27 1j3g s ASN 27 CO 0.12 -0.93 0.96 -2.16 -2.79 0.00 0.00 177.10 172.30 1j3g s PRO 28 N 3.14 3.24 -0.32 0.43 0.04 -1.26 -4.79 135.00 135.47 1j3g s PRO 28 Ca 0.77 -0.47 -0.09 0.00 0.04 0.00 0.00 61.00 61.25 1j3g s PRO 28 Cb -0.40 -4.12 0.20 0.00 0.04 0.00 0.00 34.50 30.22 1j3g s PRO 28 CO 0.34 -1.63 1.10 0.45 0.04 0.00 0.00 177.00 177.29 1j3g s SER 29 N 3.18 -0.22 -0.05 6.66 0.15 -1.26 -4.43 113.70 117.73 1j3g s SER 29 Ca 0.27 -0.19 -0.12 0.00 0.70 0.00 0.00 55.95 56.62 1j3g s SER 29 Cb -0.14 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 1j3g s SER 29 CO 0.16 -0.02 0.28 -0.22 1.20 0.00 0.00 173.24 174.64 1j3g s LEU 30 N 1.46 0.96 -0.13 3.45 1.98 -1.26 -4.20 118.68 120.94 1j3g s LEU 30 Ca 0.19 0.26 0.00 0.00 -2.89 0.00 0.00 54.13 51.69 1j3g s LEU 30 Cb 0.09 1.08 -0.01 0.00 0.66 0.00 0.00 46.19 48.00 1j3g s LEU 30 CO -0.13 -0.29 -0.14 -0.22 -1.89 0.00 0.00 176.35 173.68 1j3g s LEU 31 N -0.71 2.67 -0.12 -0.68 2.96 -1.11 -3.62 118.68 118.08 1j3g s LEU 31 Ca -0.08 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1j3g s LEU 31 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1j3g s LEU 31 CO 0.02 0.16 0.02 -0.69 -1.32 0.00 0.00 176.35 174.55 1j3g s VAL 32 N 0.37 4.46 -0.15 1.68 1.01 -1.22 -1.74 120.40 124.82 1j3g s VAL 32 Ca -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1j3g s VAL 32 Cb -0.16 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.34 1j3g s VAL 32 CO 0.06 0.56 0.02 -0.69 0.00 0.00 0.00 175.10 175.04 1j3g s VAL 33 N -0.41 0.46 0.14 2.92 1.01 0.55 -4.28 120.40 120.80 1j3g s VAL 33 Ca 0.08 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1j3g s VAL 33 Cb -0.12 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.49 1j3g s VAL 33 CO 0.02 -0.03 0.88 -1.38 0.00 0.00 0.00 175.10 174.59 1j3g s HIS 34 N 1.91 -0.21 -0.32 5.22 -3.43 -1.26 -4.15 115.29 113.04 1j3g s HIS 34 Ca 0.02 -0.08 -0.15 0.00 -0.80 0.00 0.00 55.06 54.05 1j3g s HIS 34 Cb -0.15 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.60 1j3g s HIS 34 CO -0.07 -0.84 0.36 1.21 -2.00 0.00 0.00 174.74 173.40 1j3g s ASN 35 N -2.84 6.19 0.24 7.38 3.84 -1.26 -3.91 114.94 124.58 1j3g s ASN 35 Ca 0.10 -0.09 -0.01 0.00 0.21 0.00 0.00 52.86 53.06 1j3g s ASN 35 Cb -0.02 -2.20 -0.03 0.00 -0.55 0.00 0.00 41.25 38.45 1j3g s ASN 35 CO -0.00 -0.29 0.22 -0.63 -2.79 0.00 0.00 177.10 173.61 1j3g s ILE 36 N 2.02 0.00 -0.25 -5.21 -1.09 -1.17 -4.96 121.20 110.55 1j3g s ILE 36 Ca 0.12 -1.90 -0.07 0.00 -2.23 0.00 0.00 60.65 56.57 1j3g s ILE 36 Cb -0.16 -2.47 0.12 0.00 -1.58 0.00 0.00 42.46 38.36 1j3g s ILE 36 CO 0.11 0.00 0.51 -0.55 -1.23 0.00 0.00 174.94 173.79 1j3g s SER 37 N -3.18 -0.62 0.13 3.58 0.15 -1.26 -3.10 113.70 109.38 1j3g s SER 37 Ca 0.37 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1j3g s SER 37 Cb 0.05 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 66.10 1j3g s SER 37 CO 0.15 -0.24 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.41 -0.67 -4.75 3.45 -0.00 -1.26 -5.07 117.00 114.11 1j3g n LEU 38 Ca -0.08 0.23 -0.41 0.00 -0.00 0.00 0.00 56.01 55.75 1j3g n LEU 38 Cb 0.49 0.82 -0.03 0.00 -0.00 0.00 0.00 43.42 44.70 1j3g n LEU 38 CO -0.01 -0.43 0.99 -2.16 -0.00 0.00 0.00 177.39 175.78 1j3g s PRO 39 N -1.33 4.37 0.00 1.96 0.04 -1.26 -4.88 135.00 133.91 1j3g s PRO 39 Ca 0.00 2.14 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1j3g s PRO 39 Cb 0.00 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 1j3g s PRO 39 CO 0.00 -0.22 1.91 -0.35 0.04 0.00 0.00 177.00 178.38 1j3g n PRO 40 N 1.81 0.98 0.00 0.56 -0.04 -1.26 -4.72 135.00 132.32 1j3g n PRO 40 Ca 0.03 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1j3g n PRO 40 Cb 0.42 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.14 -1.86 3.38 0.55 0.00 -1.26 -4.52 105.19 103.62 1j3g n GLY 41 Ca 0.13 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.69 0.42 -0.03 1.61 2.02 -1.26 -5.12 118.70 113.65 1j3g s GLU 42 Ca 0.00 1.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.79 1j3g s GLU 42 Cb 0.00 0.36 0.11 0.00 0.10 0.00 0.00 34.13 34.70 1j3g s GLU 42 CO 0.00 -0.22 1.31 -0.06 0.02 0.00 0.00 175.26 176.31 1j3g s PHE 43 N 2.37 0.00 -0.08 1.61 0.08 -1.26 -5.08 117.98 115.61 1j3g s PHE 43 Ca -0.05 -0.10 0.16 0.00 0.12 0.00 0.00 56.93 57.06 1j3g s PHE 43 Cb -0.11 0.55 0.33 0.00 -0.57 0.00 0.00 43.02 43.22 1j3g s PHE 43 CO -0.15 -0.24 1.15 0.41 -0.10 0.00 0.00 175.22 176.30 1j3g n GLY 44 N -0.73 2.78 3.55 4.36 0.00 -1.26 -5.06 105.19 108.84 1j3g n GLY 44 Ca -0.02 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.33 1.93 0.00 -0.02 0.00 -1.26 -4.97 107.32 100.66 1j3g s GLY 45 Ca 0.29 -1.20 0.15 0.00 0.00 0.00 0.00 44.72 43.96 1j3g s GLY 45 CO -0.08 0.69 1.42 -1.55 0.00 0.00 0.00 173.10 173.58 1j3g n PRO 46 N 5.06 0.25 -0.25 2.90 -0.04 -1.26 -2.44 135.00 139.23 1j3g n PRO 46 Ca -0.14 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1j3g n PRO 46 Cb 0.51 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 1j3g n PRO 46 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1j3g h TRP 47 N 0.00 1.08 -0.32 0.54 2.91 -1.98 0.60 115.95 118.78 1j3g h TRP 47 Ca 0.00 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 1j3g h TRP 47 Cb 0.13 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.43 1j3g h TRP 47 CO 0.00 0.77 0.03 0.82 -1.03 0.00 0.00 178.44 179.03 1j3g h ILE 48 N 1.08 1.25 -0.33 2.65 2.04 -1.83 -1.80 117.51 120.57 1j3g h ILE 48 Ca 0.27 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1j3g h ILE 48 Cb 0.09 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1j3g h ILE 48 CO -0.04 0.29 0.21 -0.78 0.00 0.00 0.00 178.15 177.84 1j3g h ASP 49 N 0.36 0.39 -0.83 1.72 1.82 -1.60 -2.41 116.42 115.87 1j3g h ASP 49 Ca 0.09 -0.03 0.14 0.00 -0.39 0.00 0.00 57.03 56.84 1j3g h ASP 49 Cb 0.39 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.25 1j3g h ASP 49 CO 0.01 0.31 0.54 0.00 -1.61 0.00 0.00 179.24 178.49 1j3g h ALA 50 N 1.10 1.90 0.93 -0.78 0.00 -0.75 0.17 119.26 121.84 1j3g h ALA 50 Ca 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1j3g h ALA 50 Cb -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1j3g h ALA 50 CO -0.02 -0.12 -0.45 1.25 0.00 0.00 0.00 179.25 179.91 1j3g h LEU 51 N 0.61 -1.06 -0.14 0.00 7.12 -0.82 0.88 115.31 121.90 1j3g h LEU 51 Ca 0.41 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.41 1j3g h LEU 51 Cb 0.71 0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1j3g h LEU 51 CO -0.17 -0.74 -0.09 -0.26 -0.13 0.00 0.00 178.44 177.06 1j3g h PHE 52 N -1.29 0.35 -0.38 1.25 0.04 -1.18 -3.12 116.94 112.61 1j3g h PHE 52 Ca -0.13 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1j3g h PHE 52 Cb 0.96 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 1j3g h PHE 52 CO 0.01 0.65 0.23 0.00 -0.60 0.00 0.00 178.31 178.60 1j3g h THR 53 N -0.05 1.11 0.00 -1.55 1.03 -0.81 -3.47 112.91 109.18 1j3g h THR 53 Ca 0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 1j3g h THR 53 Cb 0.57 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 1j3g h THR 53 CO 0.02 0.12 0.00 0.61 -0.01 0.00 0.00 175.52 176.26 1j3g n GLY 54 N -1.41 1.42 0.14 2.99 0.00 -0.70 -5.03 105.19 102.61 1j3g n GLY 54 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.41 1.31 -1.74 2.61 -2.24 0.22 -5.04 114.28 108.99 1j3g n THR 55 Ca 0.00 -1.54 -0.42 0.00 -2.27 0.00 0.00 64.05 59.82 1j3g n THR 55 Cb 0.00 0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.96 2.00 -3.62 2.28 3.06 -0.69 -4.91 119.36 116.53 1j3g n ILE 56 Ca 0.10 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.49 1j3g n ILE 56 Cb 0.59 -1.80 -0.08 0.00 0.54 0.00 0.00 39.64 38.88 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 -0.21 6.27 -0.84 9.51 2.15 -1.26 -5.00 116.67 127.29 1j3g s ASP 57 Ca 0.54 0.30 -0.21 0.00 0.43 0.00 0.00 52.55 53.60 1j3g s ASP 57 Cb -0.52 -2.13 -0.14 0.00 -0.30 0.00 0.00 42.92 39.83 1j3g s ASP 57 CO 0.63 0.10 1.95 -0.81 -0.17 0.00 0.00 175.17 176.86 1j3g n PRO 58 N 3.87 1.61 -0.02 4.34 -0.04 -1.26 -4.48 135.00 139.02 1j3g n PRO 58 Ca -0.14 -1.93 -0.03 0.00 -0.04 0.00 0.00 63.50 61.36 1j3g n PRO 58 Cb 0.52 -2.98 -0.01 0.00 -0.04 0.00 0.00 33.50 30.99 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 7.69 0.78 -0.29 3.54 2.85 -1.26 -4.82 115.26 123.75 1j3g n ASN 59 Ca 0.50 0.12 -0.12 0.00 -0.11 0.00 0.00 54.58 54.97 1j3g n ASN 59 Cb 0.41 -0.46 -0.10 0.00 1.24 0.00 0.00 39.78 40.87 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -1.00 -0.62 -2.48 5.20 0.00 -2.04 -3.46 119.26 114.86 1j3g h ALA 60 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1j3g h ALA 60 Cb 0.31 1.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1j3g h ALA 60 CO 0.00 -0.97 0.59 -3.38 0.00 0.00 0.00 179.25 175.49 1j3g s HIS 61 N -5.44 0.05 0.08 0.00 -3.43 -1.26 -5.08 115.29 100.20 1j3g s HIS 61 Ca -0.12 -0.42 -0.17 0.00 -0.80 0.00 0.00 55.06 53.55 1j3g s HIS 61 Cb 0.09 0.69 -0.11 0.00 -1.43 0.00 0.00 32.58 31.82 1j3g s HIS 61 CO 0.59 -0.88 1.38 -1.00 -2.00 0.00 0.00 174.74 172.82 1j3g h PRO 62 N 2.00 0.59 0.05 -0.38 0.13 -1.93 -3.27 132.00 129.18 1j3g h PRO 62 Ca -0.27 -0.33 0.01 0.00 -0.87 0.00 0.00 66.00 64.54 1j3g h PRO 62 Cb 1.22 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1j3g h PRO 62 CO 0.35 0.93 -0.42 -0.92 -0.23 0.00 0.00 178.00 177.71 1j3g h TYR 63 N 0.29 -1.21 -0.13 1.56 3.20 -1.98 0.81 116.97 119.51 1j3g h TYR 63 Ca 0.03 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1j3g h TYR 63 Cb 0.85 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.61 1j3g h TYR 63 CO 0.08 -0.46 -0.06 0.35 -1.64 0.00 0.00 178.16 176.44 1j3g h PHE 64 N -0.56 -0.13 -0.57 -3.82 3.04 -2.00 -1.08 116.94 111.83 1j3g h PHE 64 Ca 0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 1j3g h PHE 64 Cb 0.58 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 1j3g h PHE 64 CO -0.45 -0.09 0.35 0.00 -2.02 0.00 0.00 178.31 176.10 1j3g h ALA 65 N 1.08 0.72 0.44 2.41 0.00 -1.59 -2.32 119.26 120.00 1j3g h ALA 65 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1j3g h ALA 65 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1j3g h ALA 65 CO -0.15 0.19 -0.40 0.78 0.00 0.00 0.00 179.25 179.66 1j3g h GLY 66 N 0.76 -0.98 2.00 0.00 0.00 -0.39 -3.02 103.07 101.45 1j3g h GLY 66 Ca 0.20 0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.98 1j3g h GLY 66 CO -0.04 -0.33 -0.09 0.16 0.00 0.00 0.00 176.54 176.23 1j3g h ILE 67 N -0.85 0.48 -0.88 2.60 -0.00 -1.08 -3.06 117.51 114.72 1j3g h ILE 67 Ca -0.04 -0.45 0.22 0.00 -0.00 0.00 0.00 64.86 64.59 1j3g h ILE 67 Cb 0.75 1.30 -0.13 0.00 -0.00 0.00 0.00 36.82 38.74 1j3g h ILE 67 CO -0.05 0.09 0.32 0.00 -0.00 0.00 0.00 178.15 178.52 1j3g h ALA 68 N 1.91 1.35 -0.51 0.16 0.00 -1.28 -0.35 119.26 120.54 1j3g h ALA 68 Ca -0.00 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1j3g h ALA 68 Cb 0.30 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1j3g h ALA 68 CO 0.01 -0.40 0.34 0.45 0.00 0.00 0.00 179.25 179.66 1j3g h HIS 69 N 0.32 0.47 -3.38 0.00 3.86 -1.69 -3.39 115.15 111.33 1j3g h HIS 69 Ca 0.55 0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 59.22 1j3g h HIS 69 Cb 1.07 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.34 1j3g h HIS 69 CO -0.19 0.26 0.09 -0.51 0.86 0.00 0.00 177.93 178.44 1j3g s LEU 70 N -9.42 4.48 0.50 2.43 1.02 -0.14 -5.05 118.68 112.50 1j3g s LEU 70 Ca -0.08 1.38 -0.22 0.00 0.02 0.00 0.00 54.13 55.23 1j3g s LEU 70 Cb 0.19 -3.11 -0.06 0.00 0.02 0.00 0.00 46.19 43.22 1j3g s LEU 70 CO 0.74 0.11 1.26 0.00 0.02 0.00 0.00 176.35 178.48 1j3g s ARG 71 N -0.44 3.44 0.31 1.70 1.70 -1.26 -4.95 118.95 119.45 1j3g s ARG 71 Ca 0.35 1.99 0.10 0.00 -0.47 0.00 0.00 55.73 57.70 1j3g s ARG 71 Cb -0.20 -2.32 -0.05 0.00 -0.57 0.00 0.00 34.95 31.81 1j3g s ARG 71 CO 0.21 -0.88 -0.07 0.14 -1.08 0.00 0.00 175.30 173.63 1j3g s VAL 72 N -1.43 2.74 -0.30 4.99 -7.23 -1.26 -4.88 120.40 113.03 1j3g s VAL 72 Ca 0.68 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 1j3g s VAL 72 Cb -0.34 -2.64 0.18 0.00 0.56 0.00 0.00 36.38 34.13 1j3g s VAL 72 CO 0.41 -0.30 1.12 -0.44 -0.31 0.00 0.00 175.10 175.58 1j3g s SER 73 N -3.63 -0.29 0.31 4.85 0.01 -0.76 -4.79 113.70 109.39 1j3g s SER 73 Ca 0.32 0.46 0.01 0.00 1.31 0.00 0.00 55.95 58.05 1j3g s SER 73 Cb -0.03 1.17 0.03 0.00 0.21 0.00 0.00 66.02 67.40 1j3g s SER 73 CO 0.18 -0.07 0.23 0.00 0.41 0.00 0.00 173.24 173.99 1j3g n ALA 74 N 3.66 0.18 -0.02 1.44 0.00 -1.26 -1.18 120.51 123.32 1j3g n ALA 74 Ca -0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 1j3g n ALA 74 Cb 0.56 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.54 0.00 -3.66 0.00 8.25 -1.23 -4.47 115.22 112.58 1j3g n HIS 75 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 1j3g n HIS 75 Cb 0.15 -0.26 -0.17 0.00 1.12 0.00 0.00 29.99 30.83 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 2.20 4.69 -0.38 0.00 2.96 -0.07 -1.09 118.68 126.99 1j3g s LEU 77 Ca 0.04 -0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 53.21 1j3g s LEU 77 Cb -0.13 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1j3g s LEU 77 CO -0.05 -0.35 0.72 -0.63 -1.32 0.00 0.00 176.35 174.72 1j3g s ILE 78 N 1.83 4.78 0.54 6.68 1.01 -0.43 -0.39 121.20 135.22 1j3g s ILE 78 Ca 0.08 0.64 -0.19 0.00 0.00 0.00 0.00 60.65 61.18 1j3g s ILE 78 Cb -0.18 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 1j3g s ILE 78 CO 0.11 -0.45 1.10 -0.60 0.00 0.00 0.00 174.94 175.11 1j3g s ARG 79 N 2.97 3.42 0.25 2.79 3.52 0.74 -1.56 118.95 131.08 1j3g s ARG 79 Ca 0.28 1.51 0.12 0.00 -0.13 0.00 0.00 55.73 57.51 1j3g s ARG 79 Cb -0.14 -2.02 0.66 0.00 -1.56 0.00 0.00 34.95 31.89 1j3g s ARG 79 CO 0.17 -0.78 1.28 2.89 -0.81 0.00 0.00 175.30 178.06 1j3g n ARG 80 N -1.34 0.08 -0.55 5.12 -4.01 -1.15 -1.23 116.66 113.57 1j3g n ARG 80 Ca 0.11 0.54 0.02 0.00 -1.04 0.00 0.00 57.85 57.48 1j3g n ARG 80 Cb 0.51 -1.96 0.23 0.00 -3.04 0.00 0.00 32.46 28.20 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1j3g n ASP 81 N -1.94 3.77 -2.17 2.89 -0.08 -1.26 -3.50 116.55 114.25 1j3g n ASP 81 Ca -0.01 -2.59 -0.19 0.00 -1.51 0.00 0.00 54.79 50.49 1j3g n ASP 81 Cb 0.22 -0.62 -0.01 0.00 2.34 0.00 0.00 41.12 43.04 1j3g n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j3g n GLY 82 N 0.28 -0.28 3.40 0.27 0.00 -0.37 -4.99 105.19 103.51 1j3g n GLY 82 Ca 0.18 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.88 2.89 -0.39 1.61 0.41 -1.18 -4.88 118.70 112.27 1j3g s GLU 83 Ca 0.00 -1.13 -0.29 0.00 -0.41 0.00 0.00 54.97 53.14 1j3g s GLU 83 Cb 0.00 -3.90 0.02 0.00 -1.78 0.00 0.00 34.13 28.48 1j3g s GLU 83 CO 0.00 -0.79 1.10 0.42 -0.49 0.00 0.00 175.26 175.50 1j3g s ILE 84 N 1.61 4.38 -0.25 -1.63 1.01 -1.26 -0.18 121.20 124.87 1j3g s ILE 84 Ca 0.04 1.52 -0.10 0.00 0.00 0.00 0.00 60.65 62.10 1j3g s ILE 84 Cb -0.20 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1j3g s ILE 84 CO 0.08 -0.71 0.16 -0.69 0.00 0.00 0.00 174.94 173.78 1j3g s VAL 85 N 4.00 5.25 -0.36 2.92 1.01 0.47 0.19 120.40 133.89 1j3g s VAL 85 Ca 0.46 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 1j3g s VAL 85 Cb -0.10 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1j3g s VAL 85 CO 0.22 0.33 0.24 -1.58 0.00 0.00 0.00 175.10 174.31 1j3g s GLN 86 N 1.24 3.26 -0.21 2.72 -0.44 0.25 -0.89 119.66 125.58 1j3g s GLN 86 Ca 0.07 -0.80 0.02 0.00 -2.50 0.00 0.00 55.36 52.14 1j3g s GLN 86 Cb -0.14 -3.80 0.04 0.00 -1.64 0.00 0.00 33.01 27.47 1j3g s GLN 86 CO 0.06 -0.55 -0.13 0.71 0.50 0.00 0.00 175.29 175.88 1j3g s TYR 87 N 1.67 2.78 0.00 1.67 1.51 -0.48 -1.08 117.35 123.42 1j3g s TYR 87 Ca 0.05 -1.85 0.00 0.00 -1.01 0.00 0.00 57.07 54.26 1j3g s TYR 87 Cb -0.18 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1j3g s TYR 87 CO 0.09 -0.80 0.00 0.28 -1.11 0.00 0.00 175.55 174.01 1j3g n VAL 88 N 4.59 -1.17 -0.50 0.71 0.31 -1.26 -3.57 118.33 117.43 1j3g n VAL 88 Ca -0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.12 1j3g n VAL 88 Cb 0.46 -2.14 0.04 0.00 -0.91 0.00 0.00 33.84 31.30 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 0.07 -1.56 0.00 5.55 -0.04 -1.26 -4.74 135.00 133.02 1j3g n PRO 89 Ca 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1j3g n PRO 89 Cb 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 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 -3.00 0.00 -3.73 0.54 3.72 -1.26 -4.55 117.46 109.18 1j3g n PHE 90 Ca 0.03 -0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1j3g n PHE 90 Cb 0.10 -0.04 -0.16 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.46 0.37 0.00 4.37 2.15 -1.26 -4.99 116.67 116.86 1j3g s ASP 91 Ca 0.00 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1j3g s ASP 91 Cb 0.00 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 1j3g s ASP 91 CO 0.00 -0.18 0.00 1.17 -0.17 0.00 0.00 175.17 175.99 1j3g n LYS 92 N 4.63 0.00 -1.21 4.34 3.00 -1.26 -5.01 118.16 122.65 1j3g n LYS 92 Ca -0.18 0.34 -0.44 0.00 -0.00 0.00 0.00 58.31 58.02 1j3g n LYS 92 Cb 0.50 -0.94 -0.04 0.00 0.00 0.00 0.00 35.03 34.55 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 -0.27 0.00 -3.10 1.64 0.63 -1.26 -4.61 116.66 109.68 1j3g n ARG 93 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1j3g n ARG 93 Cb 0.00 -1.03 0.04 0.00 0.45 0.00 0.00 32.46 31.92 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3g n ALA 94 N 0.58 0.96 -3.64 5.13 0.00 -1.26 -2.49 120.51 119.80 1j3g n ALA 94 Ca 0.16 -1.92 -0.14 0.00 0.00 0.00 0.00 53.44 51.54 1j3g n ALA 94 Cb 0.14 0.64 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.31 -0.38 -0.43 0.00 -0.00 -0.33 -4.78 118.94 110.71 1j3g s TRP 95 Ca 0.44 0.82 0.05 0.00 -0.00 0.00 0.00 56.10 57.41 1j3g s TRP 95 Cb -0.03 -0.11 0.30 0.00 -0.00 0.00 0.00 33.47 33.62 1j3g s TRP 95 CO 0.28 -0.38 1.13 -2.39 -0.00 0.00 0.00 176.95 175.59 1j3g n HIS 96 N 5.34 -2.28 0.03 5.86 1.44 -1.24 -1.83 115.22 122.53 1j3g n HIS 96 Ca -0.06 -1.63 0.00 0.00 -2.01 0.00 0.00 57.72 54.02 1j3g n HIS 96 Cb 0.50 1.48 0.00 0.00 0.12 0.00 0.00 29.99 32.09 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 0.80 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.70 1j3g n ALA 97 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1j3g n ALA 97 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.50 1.99 2.95 0.00 0.00 -1.26 -5.03 105.19 102.34 1j3g n GLY 98 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 0.07 0.00 1.61 1.01 -1.26 -3.91 120.40 117.92 1j3g s VAL 99 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1j3g s VAL 99 Cb 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.29 1j3g s VAL 99 CO 0.00 -0.30 0.77 -0.94 0.00 0.00 0.00 175.10 174.63 1j3g s SER 100 N -0.89 -0.50 -0.10 3.32 1.04 -1.16 -4.68 113.70 110.73 1j3g s SER 100 Ca -0.10 0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.54 1j3g s SER 100 Cb -0.06 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.57 1j3g s SER 100 CO -0.00 -0.67 0.25 -0.94 0.98 0.00 0.00 173.24 172.86 1j3g s SER 101 N -1.96 -0.27 -0.29 7.02 1.04 -1.26 -0.53 113.70 117.44 1j3g s SER 101 Ca -0.02 0.53 -0.13 0.00 0.48 0.00 0.00 55.95 56.81 1j3g s SER 101 Cb -0.01 0.46 0.11 0.00 0.10 0.00 0.00 66.02 66.69 1j3g s SER 101 CO -0.03 -0.14 0.72 -0.47 0.98 0.00 0.00 173.24 174.30 1j3g s TYR 102 N 0.87 -1.13 -0.69 5.02 5.04 -0.45 -4.34 117.35 121.67 1j3g s TYR 102 Ca -0.06 2.08 -0.02 0.00 -2.44 0.00 0.00 57.07 56.63 1j3g s TYR 102 Cb -0.07 0.68 0.00 0.00 0.35 0.00 0.00 41.96 42.92 1j3g s TYR 102 CO -0.06 -0.56 0.68 1.04 -1.34 0.00 0.00 175.55 175.31 1j3g n GLN 103 N 4.85 -1.48 -2.46 4.97 6.02 -1.26 -3.77 117.38 124.24 1j3g n GLN 103 Ca -0.15 1.59 -0.17 0.00 -0.01 0.00 0.00 57.00 58.26 1j3g n GLN 103 Cb 0.54 -5.73 -0.01 0.00 1.02 0.00 0.00 30.24 26.06 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 -1.54 -0.50 2.98 1.08 0.00 -1.26 -4.94 105.19 101.02 1j3g n GLY 104 Ca 0.02 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.08 0.29 0.30 1.61 3.52 -1.25 -5.15 118.95 113.20 1j3g s ARG 105 Ca 0.02 0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 56.02 1j3g s ARG 105 Cb -0.01 -0.33 -0.09 0.00 -1.56 0.00 0.00 34.95 32.95 1j3g s ARG 105 CO 0.02 -0.51 0.87 -2.00 -0.81 0.00 0.00 175.30 172.87 1j3g s GLU 106 N 2.51 4.42 -0.14 5.12 2.12 -1.26 -1.35 118.70 130.13 1j3g s GLU 106 Ca 0.07 1.14 -0.00 0.00 0.36 0.00 0.00 54.97 56.54 1j3g s GLU 106 Cb -0.14 -2.76 0.03 0.00 0.26 0.00 0.00 34.13 31.52 1j3g s GLU 106 CO -0.14 0.28 -0.07 1.03 -0.54 0.00 0.00 175.26 175.83 1j3g s ARG 107 N -2.16 1.54 0.27 4.30 0.52 0.30 -4.95 118.95 118.77 1j3g s ARG 107 Ca 0.49 -0.38 -0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1j3g s ARG 107 Cb -0.17 -1.80 0.37 0.00 0.52 0.00 0.00 34.95 33.87 1j3g s ARG 107 CO 0.22 -0.33 1.74 0.00 0.02 0.00 0.00 175.30 176.94 1j3g s ASN 109 N -6.73 0.51 -1.31 0.00 0.02 -1.25 -4.37 114.94 101.81 1j3g s ASN 109 Ca -0.08 -1.32 -0.15 0.00 -1.02 0.00 0.00 52.86 50.28 1j3g s ASN 109 Cb 0.14 0.57 0.10 0.00 0.02 0.00 0.00 41.25 42.08 1j3g s ASN 109 CO 0.80 -1.13 1.78 -0.67 0.02 0.00 0.00 177.10 177.90 1j3g n ASP 110 N -0.86 4.81 -1.52 -1.22 2.03 -1.26 -4.78 116.55 113.75 1j3g n ASP 110 Ca 0.01 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1j3g n ASP 110 Cb 0.63 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1j3g n PHE 111 N 6.73 0.00 -4.36 -0.67 1.16 -1.26 -4.70 117.46 114.36 1j3g n PHE 111 Ca 0.46 -0.91 -0.22 0.00 -1.87 0.00 0.00 57.45 54.91 1j3g n PHE 111 Cb 0.43 -0.47 -0.11 0.00 -1.61 0.00 0.00 39.48 37.71 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 1.97 2.85 -0.98 5.98 0.01 -1.26 -4.23 113.70 118.03 1j3g s SER 112 Ca 0.00 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 1j3g s SER 112 Cb 0.00 -0.18 0.33 0.00 0.21 0.00 0.00 66.02 66.38 1j3g s SER 112 CO 0.00 -0.04 1.89 0.00 0.41 0.00 0.00 173.24 175.50 1j3g n ILE 113 N 0.03 5.40 0.00 1.44 0.00 -1.26 -4.86 119.36 120.12 1j3g n ILE 113 Ca -0.11 -5.50 0.00 0.00 0.00 0.00 0.00 62.75 57.14 1j3g n ILE 113 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 39.64 38.76 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 -0.20 0.89 3.17 4.50 0.00 -1.24 -4.83 105.19 107.49 1j3g n GLY 114 Ca 0.49 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 0.08 0.13 -0.04 -0.61 -1.09 -1.26 -4.66 121.20 113.75 1j3g s ILE 115 Ca 0.00 -1.70 0.01 0.00 -2.23 0.00 0.00 60.65 56.73 1j3g s ILE 115 Cb 0.00 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1j3g s ILE 115 CO 0.00 -0.61 -0.02 -0.70 -1.23 0.00 0.00 174.94 172.38 1j3g s GLU 116 N -3.97 0.56 0.13 2.79 2.56 -0.25 -3.42 118.70 117.09 1j3g s GLU 116 Ca 0.16 -0.01 0.02 0.00 0.00 0.00 0.00 54.97 55.15 1j3g s GLU 116 Cb 0.07 -0.67 -0.04 0.00 2.00 0.00 0.00 34.13 35.49 1j3g s GLU 116 CO -0.03 -0.12 0.24 -0.51 -0.56 0.00 0.00 175.26 174.27 1j3g s LEU 117 N 1.01 4.23 0.06 2.70 1.43 -1.25 -1.32 118.68 125.53 1j3g s LEU 117 Ca -0.10 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1j3g s LEU 117 Cb -0.14 -2.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1j3g s LEU 117 CO -0.01 0.08 -0.05 -0.70 0.23 0.00 0.00 176.35 175.90 1j3g s GLU 118 N -3.04 0.61 0.01 1.70 -6.30 -0.60 -3.02 118.70 108.06 1j3g s GLU 118 Ca 0.34 -1.06 -0.09 0.00 -2.50 0.00 0.00 54.97 51.65 1j3g s GLU 118 Cb -0.11 -0.02 0.03 0.00 0.00 0.00 0.00 34.13 34.02 1j3g s GLU 118 CO 0.27 -0.04 0.43 0.41 0.02 0.00 0.00 175.26 176.35 1j3g n GLY 119 N 0.58 0.60 2.63 -1.50 0.00 -1.18 -2.93 105.19 103.38 1j3g n GLY 119 Ca -0.17 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1j3g n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3g s THR 120 N -2.16 0.35 -1.33 2.61 -4.23 -1.26 -4.58 115.64 105.04 1j3g s THR 120 Ca 0.10 -1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.40 1j3g s THR 120 Cb -0.00 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.58 1j3g s THR 120 CO 0.00 -0.70 0.47 -0.67 -0.54 0.00 0.00 174.62 173.18 1j3g n ASP 121 N 5.07 -2.30 -3.66 3.99 2.03 -1.26 -1.12 116.55 119.31 1j3g n ASP 121 Ca -0.04 -1.21 -0.28 0.00 0.52 0.00 0.00 54.79 53.78 1j3g n ASP 121 Cb 0.42 -2.13 0.02 0.00 -0.72 0.00 0.00 41.12 38.71 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 -4.70 -1.66 -1.77 5.18 -2.24 -1.26 -4.95 114.28 102.89 1j3g n THR 122 Ca -0.20 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1j3g n THR 122 Cb 0.62 -2.56 -0.01 0.00 -2.10 0.00 0.00 70.33 66.28 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 -6.98 4.34 -0.10 3.22 2.96 -0.27 -4.63 118.68 117.22 1j3g s LEU 123 Ca 0.55 2.99 -0.09 0.00 -0.22 0.00 0.00 54.13 57.36 1j3g s LEU 123 Cb -0.28 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.73 1j3g s LEU 123 CO 0.68 -0.92 0.38 0.00 -1.32 0.00 0.00 176.35 175.16 1j3g n ALA 124 N 1.86 -0.05 1.07 5.97 0.00 -1.26 -4.71 120.51 123.38 1j3g n ALA 124 Ca 0.07 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1j3g n ALA 124 Cb 0.38 -0.39 0.61 0.00 0.00 0.00 0.00 19.45 20.05 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 1.22 0.00 -2.62 0.00 4.01 -1.26 -4.69 117.16 113.82 1j3g n TYR 125 Ca 0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.78 1j3g n TYR 125 Cb -0.01 -0.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.62 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 -1.41 -9.17 -0.11 -0.72 -2.24 -1.23 -4.40 114.28 95.01 1j3g n THR 126 Ca 0.09 0.54 0.08 0.00 -2.27 0.00 0.00 64.05 62.49 1j3g n THR 126 Cb 0.27 -6.59 0.14 0.00 -2.10 0.00 0.00 70.33 62.04 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 -0.60 0.02 -0.37 3.42 8.00 -1.26 -0.37 116.55 125.39 1j3g n ASP 127 Ca 0.08 0.22 0.31 0.00 0.71 0.00 0.00 54.79 56.11 1j3g n ASP 127 Cb 0.40 -0.11 0.58 0.00 -0.02 0.00 0.00 41.12 41.96 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3g h ALA 128 N 0.24 2.30 -0.53 2.24 0.00 -1.99 0.88 119.26 122.41 1j3g h ALA 128 Ca 0.17 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1j3g h ALA 128 Cb 0.60 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1j3g h ALA 128 CO -0.05 -0.99 -0.03 1.96 0.00 0.00 0.00 179.25 180.14 1j3g h GLN 129 N 0.12 0.08 -0.85 0.00 4.20 -0.94 0.61 115.11 118.34 1j3g h GLN 129 Ca 0.81 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.54 1j3g h GLN 129 Cb 2.20 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.91 1j3g h GLN 129 CO -0.60 0.06 0.56 1.88 -0.67 0.00 0.00 178.83 180.05 1j3g h TYR 130 N 0.09 1.03 0.36 2.96 0.05 -1.05 0.23 116.97 120.64 1j3g h TYR 130 Ca 0.27 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 1j3g h TYR 130 Cb 0.41 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1j3g h TYR 130 CO -0.36 0.62 -0.17 1.96 -1.05 0.00 0.00 178.16 179.16 1j3g h GLN 131 N 1.09 -0.46 0.38 4.88 4.20 -1.01 -0.12 115.11 124.05 1j3g h GLN 131 Ca 0.33 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 1j3g h GLN 131 Cb -0.02 0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1j3g h GLN 131 CO -0.09 -0.16 -0.18 1.96 -0.67 0.00 0.00 178.83 179.69 1j3g h GLN 132 N -0.78 -0.49 -0.38 1.46 4.20 -0.75 -0.38 115.11 117.98 1j3g h GLN 132 Ca -0.05 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1j3g h GLN 132 Cb 0.52 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 1j3g h GLN 132 CO 0.08 -0.28 -0.04 1.25 -0.67 0.00 0.00 178.83 179.18 1j3g h LEU 133 N -0.59 -0.23 -1.08 1.46 5.85 -0.64 0.85 115.31 120.92 1j3g h LEU 133 Ca -0.05 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1j3g h LEU 133 Cb 0.44 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1j3g h LEU 133 CO 0.09 -0.08 0.19 0.00 -0.34 0.00 0.00 178.44 178.30 1j3g h ALA 134 N 1.36 1.27 0.36 1.25 0.00 -0.80 0.29 119.26 122.98 1j3g h ALA 134 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1j3g h ALA 134 Cb 0.28 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j3g h ALA 134 CO -0.35 0.53 -0.18 0.00 0.00 0.00 0.00 179.25 179.26 1j3g h ALA 135 N 1.38 -0.49 0.15 0.00 0.00 -0.12 -0.09 119.26 120.10 1j3g h ALA 135 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 135 Cb 0.22 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1j3g h ALA 135 CO -0.01 -0.74 -0.26 0.28 0.00 0.00 0.00 179.25 178.51 1j3g h VAL 136 N -0.56 0.00 -0.11 0.00 2.07 -0.54 -1.83 116.25 115.29 1j3g h VAL 136 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1j3g h VAL 136 Cb 0.42 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1j3g h VAL 136 CO 0.08 0.00 -0.18 0.74 0.02 0.00 0.00 177.57 178.23 1j3g h THR 137 N -0.45 0.54 -0.83 2.57 2.02 -0.47 0.31 112.91 116.61 1j3g h THR 137 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1j3g h THR 137 Cb 0.42 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1j3g h THR 137 CO -0.09 0.00 0.51 0.78 0.37 0.00 0.00 175.52 177.09 1j3g h ASN 138 N -0.24 0.81 -0.12 4.18 2.35 -1.01 0.14 115.58 121.69 1j3g h ASN 138 Ca 0.09 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1j3g h ASN 138 Cb 0.37 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1j3g h ASN 138 CO -0.24 0.52 -0.06 0.00 -1.65 0.00 0.00 177.43 175.99 1j3g h ALA 139 N 1.39 0.17 -0.64 -0.83 0.00 -0.48 -2.46 119.26 116.41 1j3g h ALA 139 Ca 0.36 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1j3g h ALA 139 Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1j3g h ALA 139 CO -0.17 -0.04 0.42 -0.07 0.00 0.00 0.00 179.25 179.39 1j3g h LEU 140 N -0.11 0.49 -0.84 0.00 3.38 -0.01 -0.93 115.31 117.28 1j3g h LEU 140 Ca 0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1j3g h LEU 140 Cb 0.53 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1j3g h LEU 140 CO 0.02 0.30 0.39 0.40 0.09 0.00 0.00 178.44 179.64 1j3g h ILE 141 N 0.55 1.26 0.00 1.22 2.04 -0.59 0.01 117.51 122.00 1j3g h ILE 141 Ca 0.29 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1j3g h ILE 141 Cb 0.41 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1j3g h ILE 141 CO -0.09 0.32 0.00 0.41 0.00 0.00 0.00 178.15 178.79 1j3g n THR 142 N -4.30 1.17 -0.04 -0.27 -1.04 -0.38 -2.26 114.28 107.17 1j3g n THR 142 Ca 0.08 0.53 -0.03 0.00 -2.04 0.00 0.00 64.05 62.59 1j3g n THR 142 Cb 0.15 -1.50 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 1j3g n THR 142 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j3g n ARG 143 N -2.05 0.23 -4.06 -2.82 5.12 -0.22 -4.92 116.66 107.94 1j3g n ARG 143 Ca 0.00 0.21 -0.32 0.00 -1.93 0.00 0.00 57.85 55.81 1j3g n ARG 143 Cb 0.08 -1.03 -0.15 0.00 -1.16 0.00 0.00 32.46 30.20 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 -1.75 2.99 -0.46 -1.55 1.51 -0.18 -5.09 117.35 112.82 1j3g s TYR 144 Ca -0.11 -2.04 -0.18 0.00 -1.01 0.00 0.00 57.07 53.74 1j3g s TYR 144 Cb 0.01 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1j3g s TYR 144 CO 0.16 -0.84 0.51 -1.25 -1.11 0.00 0.00 175.55 173.02 1j3g s PRO 145 N 1.20 3.10 0.00 -1.71 0.04 -0.96 -4.19 135.00 132.49 1j3g s PRO 145 Ca -0.04 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.15 1j3g s PRO 145 Cb -0.18 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1j3g s PRO 145 CO -0.07 -1.01 0.00 0.00 0.04 0.00 0.00 177.00 175.95 1j3g n ALA 146 N 5.80 1.18 -0.40 8.56 0.00 -1.26 -4.90 120.51 129.48 1j3g n ALA 146 Ca -0.07 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.71 1j3g n ALA 146 Cb 0.46 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.58 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 0.32 -0.64 0.00 2.04 -1.78 0.30 117.51 117.74 1j3g h ILE 147 Ca 0.00 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 66.00 1j3g h ILE 147 Cb 0.00 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1j3g h ILE 147 CO 0.00 0.02 0.63 0.00 0.00 0.00 0.00 178.15 178.81 1j3g h ALA 148 N 1.47 2.43 0.00 1.87 0.00 -1.90 -1.02 119.26 122.11 1j3g h ALA 148 Ca 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1j3g h ALA 148 Cb 2.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.14 1j3g h ALA 148 CO -0.20 -0.96 -0.28 0.09 0.00 0.00 0.00 179.25 177.90 1j3g n ASN 149 N -3.74 0.79 -3.46 0.00 4.13 0.05 -4.07 115.26 108.97 1j3g n ASN 149 Ca 0.13 -2.23 -0.28 0.00 1.68 0.00 0.00 54.58 53.88 1j3g n ASN 149 Cb 0.87 -0.24 -0.11 0.00 -1.54 0.00 0.00 39.78 38.76 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 -1.47 2.18 -0.22 6.41 -0.87 -0.39 -5.06 114.94 115.53 1j3g s ASN 150 Ca 0.09 -2.80 0.02 0.00 -1.57 0.00 0.00 52.86 48.60 1j3g s ASN 150 Cb 0.08 -0.51 0.04 0.00 -0.02 0.00 0.00 41.25 40.85 1j3g s ASN 150 CO 0.01 -0.22 -0.13 -0.04 -2.57 0.00 0.00 177.10 174.15 1j3g s MET 151 N 0.33 2.35 0.00 -0.60 -1.94 -1.26 -2.73 119.30 115.44 1j3g s MET 151 Ca 0.27 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1j3g s MET 151 Cb -0.07 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 34.13 1j3g s MET 151 CO -0.12 -0.43 0.00 -2.37 -0.01 0.00 0.00 175.02 172.09 1j3g n THR 152 N 4.57 0.00 0.00 2.05 5.66 -0.71 -5.02 114.28 120.82 1j3g n THR 152 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1j3g n THR 152 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.00 3.87 0.02 1.09 0.00 -1.26 -0.33 105.19 108.58 1j3g n GLY 153 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 0.34 1.61 -0.00 -0.27 -4.55 115.22 112.35 1j3g n HIS 154 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1j3g n HIS 154 Cb 0.00 -0.26 -0.13 0.00 -0.00 0.00 0.00 29.99 29.60 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 -1.87 6.02 0.23 0.00 5.15 -1.02 -4.35 115.26 119.42 1j3g n ASN 156 Ca -0.01 -2.85 0.16 0.00 -0.60 0.00 0.00 54.58 51.28 1j3g n ASN 156 Cb 0.41 -1.06 0.74 0.00 -0.53 0.00 0.00 39.78 39.34 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 0.97 0.00 0.00 -1.44 -2.65 -1.76 -3.42 117.51 109.22 1j3g h ILE 157 Ca 0.20 -0.21 0.00 0.00 1.03 0.00 0.00 64.86 65.88 1j3g h ILE 157 Cb 0.96 1.03 0.00 0.00 -2.05 0.00 0.00 36.82 36.76 1j3g h ILE 157 CO 0.52 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.70 1j3g n ALA 158 N -1.94 1.57 -2.56 0.16 0.00 -1.26 -4.42 120.51 112.06 1j3g n ALA 158 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1j3g n ALA 158 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.55 3.97 0.63 0.00 0.04 -1.26 -4.91 135.00 131.92 1j3g s PRO 159 Ca 0.00 1.07 0.36 0.00 0.04 0.00 0.00 61.00 62.47 1j3g s PRO 159 Cb 0.00 -3.81 2.06 0.00 0.04 0.00 0.00 34.50 32.78 1j3g s PRO 159 CO 0.00 -1.05 2.25 1.49 0.04 0.00 0.00 177.00 179.74 1j3g h GLU 160 N 8.67 0.00 0.00 4.56 4.22 -1.91 -2.66 114.58 127.46 1j3g h GLU 160 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.21 1j3g h GLU 160 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1j3g h GLU 160 CO 1.05 0.00 0.06 -0.09 -2.18 0.00 0.00 179.01 177.84 1j3g h ARG 161 N 0.00 0.00 -3.61 1.92 9.65 -1.96 -3.39 114.38 116.99 1j3g h ARG 161 Ca 0.01 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.69 1j3g h ARG 161 Cb 0.15 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 28.46 1j3g h ARG 161 CO -0.00 0.00 -0.65 0.15 2.80 0.00 0.00 179.97 182.27 1j3g s LYS 162 N -3.80 0.10 0.00 0.20 1.02 -1.00 -5.06 119.74 111.20 1j3g s LYS 162 Ca -0.03 0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1j3g s LYS 162 Cb 0.09 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1j3g s LYS 162 CO 0.27 -0.01 0.00 2.41 -0.92 0.00 0.00 175.35 177.10 1j3g n THR 163 N 2.89 0.00 -4.00 2.17 -1.04 -1.26 -2.42 114.28 110.61 1j3g n THR 163 Ca -0.13 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 61.84 1j3g n THR 163 Cb 0.59 0.47 0.01 0.00 -1.82 0.00 0.00 70.33 69.58 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 -0.55 -1.16 -4.43 8.00 2.03 -1.26 -0.88 116.55 118.31 1j3g n ASP 164 Ca 0.00 -1.24 -0.39 0.00 0.52 0.00 0.00 54.79 53.68 1j3g n ASP 164 Cb 0.00 1.80 -0.02 0.00 -0.72 0.00 0.00 41.12 42.18 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 -0.89 2.69 0.00 -0.67 -0.04 -1.26 -4.16 135.00 130.66 1j3g n PRO 165 Ca 0.04 -2.93 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 1j3g n PRO 165 Cb 0.56 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 5.29 0.70 0.12 0.55 0.00 -1.26 -4.92 105.19 105.67 1j3g n GLY 166 Ca 0.48 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.17 -6.14 1.61 0.13 -1.94 -3.37 132.00 122.12 1j3g h PRO 167 Ca 0.00 0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.70 1j3g h PRO 167 Cb 0.00 0.04 0.03 0.00 0.13 0.00 0.00 31.00 31.20 1j3g h PRO 167 CO 0.00 0.27 -0.78 0.45 -0.23 0.00 0.00 178.00 177.71 1j3g n SER 168 N -4.88 -3.38 -1.03 1.44 2.88 -1.26 -4.69 113.62 102.70 1j3g n SER 168 Ca -0.07 -0.76 0.08 0.00 -1.33 0.00 0.00 58.87 56.78 1j3g n SER 168 Cb 0.26 -4.13 0.27 0.00 -0.75 0.00 0.00 64.21 59.86 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 -4.53 1.04 -3.54 0.66 7.35 -1.26 -5.04 117.46 112.15 1j3g n PHE 169 Ca -0.11 -0.77 -0.29 0.00 -0.76 0.00 0.00 57.45 55.52 1j3g n PHE 169 Cb 0.60 -0.28 0.02 0.00 0.35 0.00 0.00 39.48 40.17 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 -0.04 -5.58 -0.32 -2.13 2.03 -1.26 -4.54 116.55 104.72 1j3g n ASP 170 Ca 0.21 -0.40 0.27 0.00 0.52 0.00 0.00 54.79 55.39 1j3g n ASP 170 Cb 0.85 -2.16 0.60 0.00 -0.72 0.00 0.00 41.12 39.68 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1j3g h TRP 171 N 1.11 0.42 -0.16 -0.67 4.06 -1.98 0.18 115.95 118.92 1j3g h TRP 171 Ca -0.52 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.43 1j3g h TRP 171 Cb 1.35 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 1j3g h TRP 171 CO 0.11 0.03 0.02 0.00 -3.56 0.00 0.00 178.44 175.04 1j3g h ALA 172 N 1.56 0.21 -0.13 1.49 0.00 -1.98 -0.72 119.26 119.68 1j3g h ALA 172 Ca 0.58 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1j3g h ALA 172 Cb 1.77 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1j3g h ALA 172 CO -0.20 -0.12 0.02 0.00 0.00 0.00 0.00 179.25 178.95 1j3g h ARG 173 N 0.04 0.07 0.15 0.00 2.47 -0.96 -2.65 114.38 113.49 1j3g h ARG 173 Ca 0.05 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1j3g h ARG 173 Cb 0.32 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1j3g h ARG 173 CO 0.00 0.04 -0.07 0.35 0.56 0.00 0.00 179.97 180.86 1j3g h PHE 174 N 0.07 -0.19 0.00 3.04 3.57 -1.46 -3.15 116.94 118.82 1j3g h PHE 174 Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1j3g h PHE 174 Cb 0.06 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1j3g h PHE 174 CO -0.13 0.13 -0.06 -0.09 -2.23 0.00 0.00 178.31 175.92 1j3g h ARG 175 N -0.51 0.00 -0.45 1.11 2.43 -1.15 -1.15 114.38 114.66 1j3g h ARG 175 Ca -0.02 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1j3g h ARG 175 Cb 0.40 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1j3g h ARG 175 CO 0.03 0.06 -0.03 0.00 -1.51 0.00 0.00 179.97 178.53 1j3g h ALA 176 N 1.94 0.61 0.39 2.80 0.00 -1.47 -3.35 119.26 120.17 1j3g h ALA 176 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1j3g h ALA 176 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1j3g h ALA 176 CO 0.01 0.43 -0.19 -0.07 0.00 0.00 0.00 179.25 179.43 1j3g h LEU 177 N 0.65 -0.44-10.28 0.00 3.38 -1.21 -3.45 115.31 103.96 1j3g h LEU 177 Ca 0.12 0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.64 1j3g h LEU 177 Cb 0.53 0.11 0.17 0.00 0.09 0.00 0.00 40.66 41.57 1j3g h LEU 177 CO 0.03 -0.08 0.17 -0.69 0.09 0.00 0.00 178.44 177.96 1j3g s VAL 178 N -3.29 2.31 -0.44 1.22 1.01 -0.65 -4.88 120.40 115.68 1j3g s VAL 178 Ca -0.08 0.10 -0.43 0.00 0.00 0.00 0.00 61.98 61.58 1j3g s VAL 178 Cb 0.01 -2.42 -0.17 0.00 0.00 0.00 0.00 36.38 33.80 1j3g s VAL 178 CO 0.23 -0.13 1.97 0.41 0.00 0.00 0.00 175.10 177.57 1j3g n THR 179 N -4.26 0.08 -1.45 3.92 -1.04 -1.26 -4.82 114.28 105.45 1j3g n THR 179 Ca 0.06 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 1j3g n THR 179 Cb 0.55 -0.82 -0.07 0.00 -1.82 0.00 0.00 70.33 68.17 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 6.51 3.01 -3.01 -2.82 -0.04 -1.26 -4.62 135.00 132.78 1j3g n PRO 180 Ca 0.43 -2.24 -0.21 0.00 -0.04 0.00 0.00 63.50 61.44 1j3g n PRO 180 Cb 0.03 -2.32 0.01 0.00 -0.04 0.00 0.00 33.50 31.18 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 1.90 -4.77 0.00 3.54 2.88 -1.26 -4.71 113.62 111.20 1j3g n SER 181 Ca 0.55 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1j3g n SER 181 Cb 0.53 -3.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 1j3g n SER 181 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3g n SER 182 N -2.27 0.00 -4.47 -3.46 2.88 -1.26 -4.99 113.62 100.05 1j3g n SER 182 Ca -0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.09 1j3g n SER 182 Cb 0.59 0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 64.23 1j3g n SER 182 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1j3g n HIS 183 N -2.13 3.46 -4.03 0.66 -0.00 -1.26 -4.86 115.22 107.05 1j3g n HIS 183 Ca 0.00 -2.10 -0.09 0.00 -0.00 0.00 0.00 57.72 55.53 1j3g n HIS 183 Cb 0.00 -2.56 -0.11 0.00 -0.00 0.00 0.00 29.99 27.32 1j3g n HIS 183 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1j3g s LYS 184 N 5.33 0.46 0.46 1.57 2.20 -1.26 -4.45 119.74 124.04 1j3g s LYS 184 Ca 0.61 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1j3g s LYS 184 Cb 0.03 0.05 0.09 0.00 -1.51 0.00 0.00 37.83 36.49 1j3g s LYS 184 CO 0.10 -0.05 0.63 -0.85 -0.36 0.00 0.00 175.35 174.82 1j3g n GLU 185 N 1.08 0.25 -0.91 4.03 0.28 -1.26 -5.09 120.64 119.02 1j3g n GLU 185 Ca -0.20 -1.82 -0.30 0.00 -0.16 0.00 0.00 57.16 54.68 1j3g n GLU 185 Cb 0.57 -0.38 0.17 0.00 1.43 0.00 0.00 31.44 33.23 1j3g n GLU 185 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1j3g s MET 186 N -4.08 0.64 0.00 3.44 -2.45 -1.26 -5.15 119.30 110.45 1j3g s MET 186 Ca 0.43 1.02 0.00 0.00 -1.25 0.00 0.00 55.69 55.88 1j3g s MET 186 Cb -0.03 -1.72 0.00 0.00 1.25 0.00 0.00 34.83 34.33 1j3g s MET 186 CO 0.28 -2.72 0.00 2.41 1.05 0.00 0.00 175.02 176.04