#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g s LEU 2 N 0.00 4.58 -0.02 -0.89 2.96 -1.26 -5.04 118.68 119.00 1j3g s LEU 2 Ca 0.00 1.78 0.02 0.00 -0.22 0.00 0.00 54.13 55.71 1j3g s LEU 2 Cb 0.00 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1j3g s LEU 2 CO 0.00 0.10 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.30 1j3g s LEU 3 N -0.77 1.78 -0.12 -0.68 1.43 -1.26 -2.85 118.68 116.21 1j3g s LEU 3 Ca 0.41 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1j3g s LEU 3 Cb -0.24 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.52 1j3g s LEU 3 CO 0.29 0.05 -0.14 -0.62 0.23 0.00 0.00 176.35 176.16 1j3g s ASP 4 N 0.19 2.46 -1.15 2.29 2.15 -0.28 -4.71 116.67 117.63 1j3g s ASP 4 Ca -0.03 -0.43 -0.06 0.00 0.43 0.00 0.00 52.55 52.46 1j3g s ASP 4 Cb -0.08 -1.08 0.05 0.00 -0.30 0.00 0.00 42.92 41.50 1j3g s ASP 4 CO 0.00 -0.02 0.32 -0.62 -0.17 0.00 0.00 175.17 174.68 1j3g n GLU 5 N 4.42 -3.05 -0.25 4.34 -0.58 -1.26 -0.45 120.64 123.81 1j3g n GLU 5 Ca -0.18 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1j3g n GLU 5 Cb 0.51 -5.16 0.00 0.00 -0.57 0.00 0.00 31.44 26.22 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 -1.03 1.23 3.88 0.62 0.00 -1.26 -5.00 105.19 103.63 1j3g n GLY 6 Ca -0.05 0.00 -0.30 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 -2.23 3.51 -0.13 1.61 0.52 0.41 -4.84 118.94 117.79 1j3g s TRP 7 Ca 0.00 1.10 -0.29 0.00 0.02 0.00 0.00 56.10 56.93 1j3g s TRP 7 Cb 0.00 -2.75 -0.01 0.00 -1.15 0.00 0.00 33.47 29.56 1j3g s TRP 7 CO 0.00 -0.76 1.03 -1.17 0.02 0.00 0.00 176.95 176.07 1j3g s LEU 8 N -5.14 4.21 0.95 2.99 1.98 -1.26 -1.12 118.68 121.29 1j3g s LEU 8 Ca 0.55 1.52 -0.15 0.00 -2.89 0.00 0.00 54.13 53.15 1j3g s LEU 8 Cb -0.11 -3.55 0.18 0.00 0.66 0.00 0.00 46.19 43.37 1j3g s LEU 8 CO 0.51 -0.51 1.26 0.00 -1.89 0.00 0.00 176.35 175.72 1j3g s ALA 9 N 2.31 2.12 -1.27 5.97 0.00 -1.13 -4.37 121.76 125.40 1j3g s ALA 9 Ca 0.48 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 1j3g s ALA 9 Cb -0.18 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1j3g s ALA 9 CO 0.15 -2.40 0.58 0.39 0.00 0.00 0.00 175.76 174.48 1j3g n GLU 10 N -3.78 -0.67 -3.55 0.00 1.02 -1.26 -4.93 120.64 107.46 1j3g n GLU 10 Ca 0.13 0.15 -0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1j3g n GLU 10 Cb 0.60 -3.05 -0.05 0.00 -0.02 0.00 0.00 31.44 28.92 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 -3.68 -1.41 -0.16 0.62 0.00 -1.26 -4.71 121.76 111.16 1j3g s ALA 11 Ca 0.39 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 1j3g s ALA 11 Cb -0.20 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1j3g s ALA 11 CO 0.96 -0.54 0.96 0.50 0.00 0.00 0.00 175.76 177.64 1j3g s ARG 12 N -2.55 4.34 -0.17 0.00 6.06 0.14 -4.93 118.95 121.84 1j3g s ARG 12 Ca -0.05 1.27 -0.22 0.00 -2.50 0.00 0.00 55.73 54.24 1j3g s ARG 12 Cb -0.01 -3.58 -0.02 0.00 0.06 0.00 0.00 34.95 31.40 1j3g s ARG 12 CO -0.02 -0.40 0.68 -0.98 -2.50 0.00 0.00 175.30 172.07 1j3g s ARG 13 N 2.37 4.27 -0.46 5.12 3.03 -1.26 -0.78 118.95 131.22 1j3g s ARG 13 Ca 0.44 0.74 0.03 0.00 2.03 0.00 0.00 55.73 58.98 1j3g s ARG 13 Cb -0.17 -3.55 0.16 0.00 -1.03 0.00 0.00 34.95 30.36 1j3g s ARG 13 CO 0.13 -0.21 0.34 0.08 -1.13 0.00 0.00 175.30 174.52 1j3g s VAL 14 N 1.77 0.93 -0.10 4.99 1.01 -0.37 -4.94 120.40 123.69 1j3g s VAL 14 Ca 0.32 -2.83 -0.30 0.00 0.00 0.00 0.00 61.98 59.17 1j3g s VAL 14 Cb -0.16 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1j3g s VAL 14 CO 0.12 -1.12 1.15 -2.16 0.00 0.00 0.00 175.10 173.08 1j3g s PRO 15 N -0.06 4.34 -0.23 2.72 0.04 -1.26 -4.27 135.00 136.28 1j3g s PRO 15 Ca 0.28 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1j3g s PRO 15 Cb -0.05 -3.59 0.04 0.00 0.04 0.00 0.00 34.50 30.95 1j3g s PRO 15 CO -0.14 -0.47 -0.14 0.45 0.04 0.00 0.00 177.00 176.74 1j3g s SER 16 N 1.43 3.92 -1.04 6.66 0.15 -1.26 -5.03 113.70 118.53 1j3g s SER 16 Ca 0.53 -1.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.02 1j3g s SER 16 Cb -0.22 -1.53 -0.13 0.00 -1.71 0.00 0.00 66.02 62.43 1j3g s SER 16 CO 0.18 -0.11 3.15 -0.81 1.20 0.00 0.00 173.24 176.85 1j3g n PRO 17 N 4.52 3.15 -2.39 5.44 -0.04 -1.26 -4.23 135.00 140.19 1j3g n PRO 17 Ca -0.17 -1.88 -0.19 0.00 -0.04 0.00 0.00 63.50 61.23 1j3g n PRO 17 Cb 0.45 -2.51 0.02 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.04 2.50 -1.40 0.54 -0.00 -1.26 -5.10 115.22 113.54 1j3g n HIS 18 Ca 0.65 -2.57 -0.30 0.00 0.46 0.00 0.00 57.72 55.96 1j3g n HIS 18 Cb 0.47 -0.24 0.22 0.00 -0.12 0.00 0.00 29.99 30.31 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 -3.55 0.89 0.51 1.57 1.51 -1.26 -4.38 117.35 112.64 1j3g s TYR 19 Ca 0.43 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.92 1j3g s TYR 19 Cb 0.40 -3.71 -0.01 0.00 -0.11 0.00 0.00 41.96 38.53 1j3g s TYR 19 CO -0.05 -3.43 0.02 -0.51 -1.11 0.00 0.00 175.55 170.48 1j3g s ASP 20 N -4.28 4.16 -0.22 2.29 1.01 -1.22 -4.88 116.67 113.53 1j3g s ASP 20 Ca 0.72 -1.65 -0.09 0.00 0.71 0.00 0.00 52.55 52.24 1j3g s ASP 20 Cb -0.07 0.54 0.08 0.00 1.01 0.00 0.00 42.92 44.48 1j3g s ASP 20 CO 0.55 -0.87 0.49 0.00 0.21 0.00 0.00 175.17 175.54 1j3g s ARG 22 N 2.12 0.67 -1.44 0.00 1.81 -1.26 -5.07 118.95 115.77 1j3g s ARG 22 Ca -0.06 -0.45 -0.13 0.00 -1.72 0.00 0.00 55.73 53.37 1j3g s ARG 22 Cb -0.10 -0.62 0.05 0.00 -0.45 0.00 0.00 34.95 33.84 1j3g s ARG 22 CO -0.15 0.16 2.24 -0.35 -0.68 0.00 0.00 175.30 176.52 1j3g n PRO 23 N 2.46 3.06 -3.70 3.54 -0.04 -1.26 -4.79 135.00 134.27 1j3g n PRO 23 Ca -0.16 -2.72 -0.11 0.00 -0.04 0.00 0.00 63.50 60.48 1j3g n PRO 23 Cb 0.56 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 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 2.72 -0.15 -0.27 3.54 1.01 -1.26 -5.05 116.67 117.22 1j3g s ASP 24 Ca 0.48 -0.32 -0.00 0.00 0.71 0.00 0.00 52.55 53.41 1j3g s ASP 24 Cb 0.14 0.42 0.14 0.00 1.01 0.00 0.00 42.92 44.64 1j3g s ASP 24 CO -0.07 -0.77 0.38 -1.81 0.21 0.00 0.00 175.17 173.11 1j3g s ASP 25 N -2.60 0.47 0.08 0.27 1.01 -1.26 -5.09 116.67 109.54 1j3g s ASP 25 Ca 0.01 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.14 1j3g s ASP 25 Cb 0.02 1.04 -0.04 0.00 1.01 0.00 0.00 42.92 44.95 1j3g s ASP 25 CO -0.09 -0.33 -0.06 -0.70 0.21 0.00 0.00 175.17 174.20 1j3g s GLU 26 N 2.52 0.74 0.01 8.23 2.56 -1.26 -5.13 118.70 126.38 1j3g s GLU 26 Ca 0.11 -1.23 -0.30 0.00 0.00 0.00 0.00 54.97 53.55 1j3g s GLU 26 Cb -0.14 -0.12 -0.06 0.00 2.00 0.00 0.00 34.13 35.80 1j3g s GLU 26 CO -0.24 -0.03 1.56 1.21 -0.56 0.00 0.00 175.26 177.20 1j3g s ASN 27 N -2.82 6.71 -0.60 -1.70 2.47 -1.26 -4.92 114.94 112.82 1j3g s ASN 27 Ca 0.08 2.28 -0.28 0.00 0.42 0.00 0.00 52.86 55.36 1j3g s ASN 27 Cb 0.04 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.30 1j3g s ASN 27 CO -0.05 -0.84 1.44 -2.16 -3.72 0.00 0.00 177.10 171.77 1j3g s PRO 28 N 2.94 3.21 -0.43 0.43 0.04 -1.25 -4.78 135.00 135.15 1j3g s PRO 28 Ca 0.70 0.36 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1j3g s PRO 28 Cb -0.35 -4.16 0.28 0.00 0.04 0.00 0.00 34.50 30.31 1j3g s PRO 28 CO 0.29 -2.06 1.09 0.45 0.04 0.00 0.00 177.00 176.81 1j3g n SER 29 N 9.91 -2.21 -3.76 6.66 2.88 -1.26 -4.39 113.62 121.44 1j3g n SER 29 Ca 0.12 -2.95 -0.13 0.00 -1.33 0.00 0.00 58.87 54.58 1j3g n SER 29 Cb 0.49 1.57 -0.11 0.00 -0.75 0.00 0.00 64.21 65.41 1j3g n SER 29 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1j3g s LEU 30 N -1.14 0.71 -0.04 2.46 0.20 -1.26 -3.61 118.68 116.00 1j3g s LEU 30 Ca 0.26 0.61 -0.20 0.00 0.69 0.00 0.00 54.13 55.50 1j3g s LEU 30 Cb 0.25 1.01 -0.05 0.00 -0.43 0.00 0.00 46.19 46.97 1j3g s LEU 30 CO -0.15 -0.12 0.56 -0.22 -0.29 0.00 0.00 176.35 176.12 1j3g s LEU 31 N 0.43 4.37 -0.04 -0.68 2.96 -0.79 -3.53 118.68 121.40 1j3g s LEU 31 Ca -0.02 1.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 1j3g s LEU 31 Cb -0.04 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1j3g s LEU 31 CO -0.02 0.07 0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 1j3g s VAL 32 N 0.08 4.48 -0.12 1.68 1.01 -1.21 -2.38 120.40 123.95 1j3g s VAL 32 Ca 0.30 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1j3g s VAL 32 Cb -0.17 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.28 1j3g s VAL 32 CO 0.15 0.47 0.03 -0.69 0.00 0.00 0.00 175.10 175.06 1j3g s VAL 33 N -1.04 0.32 -0.30 2.92 1.01 0.36 -4.15 120.40 119.52 1j3g s VAL 33 Ca 0.18 -0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 1j3g s VAL 33 Cb -0.12 -0.66 0.19 0.00 0.00 0.00 0.00 36.38 35.80 1j3g s VAL 33 CO 0.08 0.05 1.23 -1.38 0.00 0.00 0.00 175.10 175.08 1j3g s HIS 34 N 1.98 -0.18 -0.04 5.22 -3.43 -1.26 -3.77 115.29 113.80 1j3g s HIS 34 Ca 0.03 0.39 -0.30 0.00 -0.80 0.00 0.00 55.06 54.38 1j3g s HIS 34 Cb -0.14 0.21 -0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1j3g s HIS 34 CO -0.06 -0.09 1.85 1.21 -2.00 0.00 0.00 174.74 175.65 1j3g s ASN 35 N 0.82 6.44 0.31 7.38 2.47 -1.25 -3.83 114.94 127.27 1j3g s ASN 35 Ca -0.04 2.36 -0.01 0.00 0.42 0.00 0.00 52.86 55.59 1j3g s ASN 35 Cb -0.03 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.23 1j3g s ASN 35 CO -0.12 -1.10 0.39 -0.63 -3.72 0.00 0.00 177.10 171.92 1j3g s ILE 36 N 4.70 0.00 -0.30 -5.21 -1.09 -1.09 -4.93 121.20 113.28 1j3g s ILE 36 Ca 0.83 -1.71 -0.09 0.00 -2.23 0.00 0.00 60.65 57.45 1j3g s ILE 36 Cb -0.37 -2.54 0.14 0.00 -1.58 0.00 0.00 42.46 38.11 1j3g s ILE 36 CO 0.36 0.00 0.67 -0.55 -1.23 0.00 0.00 174.94 174.19 1j3g s SER 37 N -3.23 -1.14 0.30 3.58 0.15 -1.26 -1.23 113.70 110.87 1j3g s SER 37 Ca 0.33 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1j3g s SER 37 Cb 0.01 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.54 1j3g s SER 37 CO 0.19 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.31 1j3g n LEU 38 N 5.41 -1.06 -4.89 3.45 -0.00 -1.26 -5.00 117.00 113.65 1j3g n LEU 38 Ca -0.10 0.54 -0.29 0.00 -0.00 0.00 0.00 56.01 56.16 1j3g n LEU 38 Cb 0.50 1.16 -0.02 0.00 -0.00 0.00 0.00 43.42 45.06 1j3g n LEU 38 CO -0.03 -0.52 0.42 -2.16 -0.00 0.00 0.00 177.39 175.10 1j3g s PRO 39 N -1.87 3.65 -1.06 1.96 0.04 -1.26 -4.63 135.00 131.83 1j3g s PRO 39 Ca 0.00 0.29 -0.19 0.00 0.04 0.00 0.00 61.00 61.14 1j3g s PRO 39 Cb 0.00 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1j3g s PRO 39 CO 0.00 -0.09 2.04 -0.35 0.04 0.00 0.00 177.00 178.64 1j3g n PRO 40 N -1.73 2.06 0.00 0.56 -0.04 -1.26 -4.74 135.00 129.85 1j3g n PRO 40 Ca 0.01 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1j3g n PRO 40 Cb 0.55 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 4.41 -0.70 3.51 0.55 0.00 -1.26 -4.97 105.19 106.74 1j3g n GLY 41 Ca 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.23 0.53 -0.03 1.61 2.02 -1.26 -5.14 118.70 115.19 1j3g s GLU 42 Ca 0.00 1.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1j3g s GLU 42 Cb 0.00 0.48 0.11 0.00 0.10 0.00 0.00 34.13 34.82 1j3g s GLU 42 CO 0.00 -0.20 1.31 -0.06 0.02 0.00 0.00 175.26 176.33 1j3g s PHE 43 N 2.38 0.01 -0.17 1.61 0.08 -1.26 -5.05 117.98 115.57 1j3g s PHE 43 Ca -0.06 -0.10 0.16 0.00 0.12 0.00 0.00 56.93 57.05 1j3g s PHE 43 Cb -0.10 0.55 0.39 0.00 -0.57 0.00 0.00 43.02 43.28 1j3g s PHE 43 CO -0.17 -0.23 1.25 0.41 -0.10 0.00 0.00 175.22 176.38 1j3g n GLY 44 N -0.77 4.76 3.62 4.36 0.00 -1.26 -5.04 105.19 110.86 1j3g n GLY 44 Ca -0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.71 1.75 0.55 -0.02 0.00 -1.26 -4.95 107.32 100.68 1j3g s GLY 45 Ca 0.37 -0.38 0.33 0.00 0.00 0.00 0.00 44.72 45.03 1j3g s GLY 45 CO 0.02 1.66 2.01 -0.56 0.00 0.00 0.00 173.10 176.23 1j3g h PRO 46 N 7.96 0.00 -0.78 2.90 0.13 -2.02 -2.79 132.00 137.41 1j3g h PRO 46 Ca -0.25 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.04 1j3g h PRO 46 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 1j3g h PRO 46 CO 0.84 0.05 0.52 -1.49 -0.23 0.00 0.00 178.00 177.69 1j3g h TRP 47 N 0.00 0.48 0.00 1.56 4.06 -1.98 -1.44 115.95 118.62 1j3g h TRP 47 Ca -0.00 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1j3g h TRP 47 Cb 0.47 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1j3g h TRP 47 CO 0.00 0.17 -0.00 0.82 -3.56 0.00 0.00 178.44 175.87 1j3g h ILE 48 N 0.40 1.24 -0.22 1.49 2.04 -1.75 -2.01 117.51 118.70 1j3g h ILE 48 Ca 0.38 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1j3g h ILE 48 Cb 0.92 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1j3g h ILE 48 CO -0.12 0.19 0.01 -0.78 0.00 0.00 0.00 178.15 177.44 1j3g h ASP 49 N -0.31 0.38 -0.83 1.72 3.58 -1.64 -3.10 116.42 116.22 1j3g h ASP 49 Ca -0.00 -0.30 0.19 0.00 0.42 0.00 0.00 57.03 57.34 1j3g h ASP 49 Cb 0.31 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 1j3g h ASP 49 CO 0.00 0.58 0.56 0.00 -2.88 0.00 0.00 179.24 177.50 1j3g h ALA 50 N 0.81 2.26 0.70 -0.78 0.00 -1.23 0.13 119.26 121.15 1j3g h ALA 50 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1j3g h ALA 50 Cb 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j3g h ALA 50 CO 0.01 -0.51 -0.34 1.25 0.00 0.00 0.00 179.25 179.66 1j3g h LEU 51 N 0.34 -0.80 -0.29 0.00 7.12 -1.29 -0.84 115.31 119.55 1j3g h LEU 51 Ca 0.42 -0.00 -0.15 0.00 0.13 0.00 0.00 57.88 58.28 1j3g h LEU 51 Cb 1.12 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.45 1j3g h LEU 51 CO -0.13 -0.46 -0.41 -0.26 -0.13 0.00 0.00 178.44 177.05 1j3g h PHE 52 N -1.13 0.98 -0.27 1.25 -1.00 -1.15 -2.92 116.94 112.70 1j3g h PHE 52 Ca -0.10 -0.32 -0.08 0.00 2.81 0.00 0.00 57.97 60.29 1j3g h PHE 52 Cb 0.75 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1j3g h PHE 52 CO -0.00 1.12 -0.16 0.00 -1.61 0.00 0.00 178.31 177.66 1j3g h THR 53 N 0.56 1.24 0.00 -1.55 1.03 -0.94 -3.48 112.91 109.77 1j3g h THR 53 Ca 0.03 -1.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 1j3g h THR 53 Cb 1.01 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1j3g h THR 53 CO 0.10 0.34 0.00 0.61 -0.01 0.00 0.00 175.52 176.56 1j3g n GLY 54 N -0.59 0.69 0.60 2.99 0.00 -0.43 -4.99 105.19 103.45 1j3g n GLY 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.90 0.38 -1.74 2.61 -2.24 -0.58 -4.83 114.28 105.98 1j3g n THR 55 Ca 0.00 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 1j3g n THR 55 Cb 0.00 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1j3g n THR 55 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1j3g s ILE 56 N -1.62 2.00 -0.14 2.28 2.07 -0.90 -5.01 121.20 119.88 1j3g s ILE 56 Ca 0.26 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.41 1j3g s ILE 56 Cb 0.13 -3.00 -0.05 0.00 0.13 0.00 0.00 42.46 39.68 1j3g s ILE 56 CO 0.19 0.00 0.18 -0.62 -1.91 0.00 0.00 174.94 172.77 1j3g s ASP 57 N 0.80 6.38 -1.18 4.50 2.15 -1.26 -4.80 116.67 123.26 1j3g s ASP 57 Ca 0.69 0.45 -0.22 0.00 0.43 0.00 0.00 52.55 53.89 1j3g s ASP 57 Cb -0.49 -2.10 -0.08 0.00 -0.30 0.00 0.00 42.92 39.95 1j3g s ASP 57 CO 0.41 0.30 1.92 -2.16 -0.17 0.00 0.00 175.17 175.48 1j3g s PRO 58 N -0.46 2.59 -0.09 4.34 0.04 -1.26 -4.57 135.00 135.59 1j3g s PRO 58 Ca 0.14 -1.18 -0.10 0.00 0.04 0.00 0.00 61.00 59.90 1j3g s PRO 58 Cb -0.12 -5.25 -0.03 0.00 0.04 0.00 0.00 34.50 29.13 1j3g s PRO 58 CO 0.03 -3.86 -0.19 -1.71 0.04 0.00 0.00 177.00 171.31 1j3g n ASN 59 N 14.01 1.19 -0.19 6.66 2.85 -1.26 -4.59 115.26 133.94 1j3g n ASN 59 Ca 0.45 0.20 -0.03 0.00 -0.11 0.00 0.00 54.58 55.09 1j3g n ASN 59 Cb 0.47 -0.59 0.08 0.00 1.24 0.00 0.00 39.78 40.97 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 -1.13 0.72 -2.38 5.20 0.00 -2.05 -3.46 119.26 116.17 1j3g h ALA 60 Ca 0.00 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.16 1j3g h ALA 60 Cb 0.55 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1j3g h ALA 60 CO 0.00 -0.11 0.66 -3.38 0.00 0.00 0.00 179.25 176.42 1j3g s HIS 61 N -6.11 0.04 0.04 0.00 -3.43 -1.26 -5.09 115.29 99.48 1j3g s HIS 61 Ca -0.13 -0.36 -0.18 0.00 -0.80 0.00 0.00 55.06 53.59 1j3g s HIS 61 Cb 0.15 0.66 -0.19 0.00 -1.43 0.00 0.00 32.58 31.77 1j3g s HIS 61 CO 0.74 -0.74 1.20 -1.00 -2.00 0.00 0.00 174.74 172.94 1j3g h PRO 62 N 2.00 0.51 -0.78 -0.38 0.13 -1.90 -3.37 132.00 128.21 1j3g h PRO 62 Ca -0.26 -0.45 0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1j3g h PRO 62 Cb 1.21 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.31 1j3g h PRO 62 CO 0.34 1.08 -0.34 -0.92 -0.23 0.00 0.00 178.00 177.93 1j3g h TYR 63 N 0.10 -0.93 0.06 1.56 3.20 -1.98 0.64 116.97 119.62 1j3g h TYR 63 Ca -0.05 0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1j3g h TYR 63 Cb 1.22 0.52 -0.05 0.00 1.54 0.00 0.00 36.73 39.96 1j3g h TYR 63 CO 0.12 -0.39 -0.46 0.35 -1.64 0.00 0.00 178.16 176.14 1j3g h PHE 64 N -0.08 -1.30 -0.42 -3.82 3.57 -1.97 -1.53 116.94 111.39 1j3g h PHE 64 Ca 0.30 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 1j3g h PHE 64 Cb 0.58 0.56 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1j3g h PHE 64 CO -0.73 -0.54 0.04 0.00 -2.23 0.00 0.00 178.31 174.85 1j3g h ALA 65 N -0.22 0.56 -0.03 2.41 0.00 -1.71 -3.18 119.26 117.08 1j3g h ALA 65 Ca 0.03 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1j3g h ALA 65 Cb 0.70 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1j3g h ALA 65 CO -0.30 0.30 -0.35 0.78 0.00 0.00 0.00 179.25 179.69 1j3g h GLY 66 N 0.56 -1.24 1.14 0.00 0.00 -0.25 -2.95 103.07 100.34 1j3g h GLY 66 Ca 0.12 0.65 -0.02 0.00 0.00 0.00 0.00 47.33 48.09 1j3g h GLY 66 CO 0.01 -0.34 0.44 0.16 0.00 0.00 0.00 176.54 176.82 1j3g h ILE 67 N -0.42 1.24 -0.90 2.60 -0.00 -1.41 -3.27 117.51 115.34 1j3g h ILE 67 Ca 0.01 -0.59 0.25 0.00 -0.00 0.00 0.00 64.86 64.53 1j3g h ILE 67 Cb 0.46 0.15 -0.14 0.00 -0.00 0.00 0.00 36.82 37.29 1j3g h ILE 67 CO -0.25 0.27 0.31 0.00 -0.00 0.00 0.00 178.15 178.47 1j3g h ALA 68 N 1.36 1.41 -0.49 0.16 0.00 -1.49 -1.14 119.26 119.06 1j3g h ALA 68 Ca 0.28 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.47 1j3g h ALA 68 Cb 0.03 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1j3g h ALA 68 CO -0.05 -0.48 0.33 0.45 0.00 0.00 0.00 179.25 179.51 1j3g h HIS 69 N 0.24 0.43 -3.47 0.00 3.86 -1.63 -3.39 115.15 111.21 1j3g h HIS 69 Ca 0.59 0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 59.27 1j3g h HIS 69 Cb 1.21 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 1j3g h HIS 69 CO -0.21 0.24 0.18 -0.51 0.86 0.00 0.00 177.93 178.48 1j3g s LEU 70 N -9.37 4.51 0.39 2.43 1.02 -0.43 -5.02 118.68 112.20 1j3g s LEU 70 Ca -0.08 1.54 -0.26 0.00 0.02 0.00 0.00 54.13 55.35 1j3g s LEU 70 Cb 0.19 -3.27 -0.11 0.00 0.02 0.00 0.00 46.19 43.02 1j3g s LEU 70 CO 0.74 0.09 1.27 -2.11 0.02 0.00 0.00 176.35 176.36 1j3g n ARG 71 N 2.35 1.99 -4.38 1.70 0.00 -1.26 -4.97 116.66 112.09 1j3g n ARG 71 Ca -0.03 0.71 -0.25 0.00 -0.00 0.00 0.00 57.85 58.27 1j3g n ARG 71 Cb 0.50 -2.36 -0.09 0.00 -0.00 0.00 0.00 32.46 30.51 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 -1.16 2.49 -0.30 8.89 -7.23 -1.26 -4.92 120.40 116.91 1j3g s VAL 72 Ca 0.59 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.60 1j3g s VAL 72 Cb -0.53 -2.79 0.18 0.00 0.56 0.00 0.00 36.38 33.79 1j3g s VAL 72 CO 0.60 -0.18 1.06 -0.44 -0.31 0.00 0.00 175.10 175.83 1j3g s SER 73 N -3.71 -0.46 0.52 4.85 0.01 -0.85 -4.66 113.70 109.41 1j3g s SER 73 Ca 0.35 0.50 0.04 0.00 1.31 0.00 0.00 55.95 58.15 1j3g s SER 73 Cb 0.01 1.47 0.08 0.00 0.21 0.00 0.00 66.02 67.80 1j3g s SER 73 CO 0.19 -0.09 0.64 0.00 0.41 0.00 0.00 173.24 174.39 1j3g n ALA 74 N 5.06 0.53 -0.63 1.44 0.00 -1.26 -1.23 120.51 124.43 1j3g n ALA 74 Ca -0.08 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1j3g n ALA 74 Cb 0.53 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.15 0.00 -4.03 0.00 8.25 -1.26 -4.65 115.22 111.38 1j3g n HIS 75 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 1j3g n HIS 75 Cb 0.42 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.38 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 1.33 4.50 -0.37 0.00 2.96 -0.05 -0.47 118.68 126.57 1j3g s LEU 77 Ca 0.03 -0.65 -0.17 0.00 -0.22 0.00 0.00 54.13 53.12 1j3g s LEU 77 Cb -0.15 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1j3g s LEU 77 CO -0.08 -0.28 0.43 -0.63 -1.32 0.00 0.00 176.35 174.46 1j3g s ILE 78 N 1.64 5.10 0.51 6.68 -1.09 -0.87 -0.63 121.20 132.53 1j3g s ILE 78 Ca 0.04 -0.02 -0.21 0.00 -2.23 0.00 0.00 60.65 58.24 1j3g s ILE 78 Cb -0.18 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1j3g s ILE 78 CO 0.08 -0.24 1.17 -0.60 -1.23 0.00 0.00 174.94 174.12 1j3g s ARG 79 N 2.16 3.49 0.25 2.79 6.06 0.33 -0.77 118.95 133.25 1j3g s ARG 79 Ca 0.14 1.75 0.18 0.00 -2.50 0.00 0.00 55.73 55.29 1j3g s ARG 79 Cb -0.16 -2.20 0.92 0.00 0.06 0.00 0.00 34.95 33.57 1j3g s ARG 79 CO 0.13 -0.77 1.54 2.89 -2.50 0.00 0.00 175.30 176.59 1j3g n ARG 80 N -0.94 0.12 -0.54 5.12 -4.01 -1.18 -1.52 116.66 113.70 1j3g n ARG 80 Ca 0.10 0.58 -0.04 0.00 -1.04 0.00 0.00 57.85 57.45 1j3g n ARG 80 Cb 0.49 -1.85 0.16 0.00 -3.04 0.00 0.00 32.46 28.22 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 -2.09 3.43 -2.28 2.89 2.03 -1.26 -3.86 116.55 115.40 1j3g n ASP 81 Ca -0.01 -2.64 -0.19 0.00 0.52 0.00 0.00 54.79 52.47 1j3g n ASP 81 Cb 0.05 -0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 0.02 -0.41 3.95 0.27 0.00 -0.58 -5.03 105.19 103.41 1j3g n GLY 82 Ca 0.22 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.07 3.44 -0.23 1.61 2.02 -1.19 -4.77 118.70 114.51 1j3g s GLU 83 Ca 0.05 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 1j3g s GLU 83 Cb -0.02 -2.94 0.02 0.00 0.10 0.00 0.00 34.13 31.29 1j3g s GLU 83 CO 0.07 0.49 -0.09 0.42 0.02 0.00 0.00 175.26 176.16 1j3g s ILE 84 N -1.82 2.70 -0.04 -1.63 1.01 -1.26 -0.51 121.20 119.65 1j3g s ILE 84 Ca 0.34 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1j3g s ILE 84 Cb -0.10 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1j3g s ILE 84 CO 0.29 0.29 -0.07 -0.69 0.00 0.00 0.00 174.94 174.76 1j3g s VAL 85 N 1.32 3.67 -0.16 2.92 1.01 0.20 -0.69 120.40 128.67 1j3g s VAL 85 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1j3g s VAL 85 Cb -0.16 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1j3g s VAL 85 CO -0.06 0.52 -0.19 -1.58 0.00 0.00 0.00 175.10 173.79 1j3g s GLN 86 N -1.05 2.78 -0.17 2.72 -0.44 0.04 -0.87 119.66 122.65 1j3g s GLN 86 Ca 0.14 -0.75 -0.01 0.00 -2.50 0.00 0.00 55.36 52.24 1j3g s GLN 86 Cb -0.11 -2.38 -0.00 0.00 -1.64 0.00 0.00 33.01 28.88 1j3g s GLN 86 CO 0.04 -0.16 -0.12 0.71 0.50 0.00 0.00 175.29 176.26 1j3g s TYR 87 N 1.20 2.85 -0.18 1.67 2.02 0.58 -1.23 117.35 124.25 1j3g s TYR 87 Ca 0.01 -1.01 -0.02 0.00 -0.37 0.00 0.00 57.07 55.69 1j3g s TYR 87 Cb -0.14 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1j3g s TYR 87 CO -0.09 -0.49 0.04 0.28 -1.57 0.00 0.00 175.55 173.72 1j3g n VAL 88 N 4.26 -8.71 -0.27 0.71 0.31 -1.26 -4.29 118.33 109.07 1j3g n VAL 88 Ca -0.19 1.33 -0.28 0.00 -0.01 0.00 0.00 64.34 65.19 1j3g n VAL 88 Cb 0.51 -5.82 0.27 0.00 -0.91 0.00 0.00 33.84 27.90 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 0.59 -4.59 0.00 5.55 -0.04 -1.26 -4.80 135.00 130.46 1j3g n PRO 89 Ca -0.06 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.02 1j3g n PRO 89 Cb 0.09 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -5.58 0.00 -3.61 0.54 3.01 -1.26 -4.54 117.46 106.02 1j3g n PHE 90 Ca 0.13 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.45 1j3g n PHE 90 Cb 0.56 -0.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.83 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1j3g s ASP 91 N 0.38 0.52 0.00 4.37 2.15 -1.26 -5.00 116.67 117.83 1j3g s ASP 91 Ca 0.00 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.41 1j3g s ASP 91 Cb 0.00 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.30 1j3g s ASP 91 CO 0.00 -0.26 0.00 1.17 -0.17 0.00 0.00 175.17 175.91 1j3g n LYS 92 N 5.35 0.00 -0.89 4.34 4.81 -1.26 -5.04 118.16 125.46 1j3g n LYS 92 Ca -0.06 0.35 -0.30 0.00 -0.87 0.00 0.00 58.31 57.43 1j3g n LYS 92 Cb 0.50 -0.99 0.02 0.00 0.02 0.00 0.00 35.03 34.59 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1j3g n ARG 93 N -0.28 0.00 -3.62 1.64 0.63 -1.26 -4.78 116.66 108.98 1j3g n ARG 93 Ca 0.00 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.69 1j3g n ARG 93 Cb 0.00 -0.82 0.01 0.00 0.45 0.00 0.00 32.46 32.10 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 -1.77 0.84 -3.59 5.13 0.00 -1.26 -3.44 120.51 116.43 1j3g n ALA 94 Ca 0.01 -2.08 -0.04 0.00 0.00 0.00 0.00 53.44 51.33 1j3g n ALA 94 Cb 0.43 0.83 -0.06 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.57 -1.13 -0.45 0.00 -0.00 -0.36 -4.67 118.94 109.76 1j3g s TRP 95 Ca 0.33 1.88 0.05 0.00 -0.00 0.00 0.00 56.10 58.36 1j3g s TRP 95 Cb -0.03 0.55 0.30 0.00 -0.00 0.00 0.00 33.47 34.29 1j3g s TRP 95 CO 0.21 -0.62 1.10 -2.39 -0.00 0.00 0.00 176.95 175.25 1j3g n HIS 96 N 5.42 -2.60 0.08 5.86 1.44 -1.25 -2.00 115.22 122.17 1j3g n HIS 96 Ca -0.09 -1.81 0.00 0.00 -2.01 0.00 0.00 57.72 53.81 1j3g n HIS 96 Cb 0.49 1.54 0.00 0.00 0.12 0.00 0.00 29.99 32.15 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 0.74 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.64 1j3g n ALA 97 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1j3g n ALA 97 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.41 0.67 3.15 0.00 0.00 -1.26 -4.89 105.19 101.45 1j3g n GLY 98 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 1.32 -0.02 1.61 1.01 -1.26 -4.07 120.40 119.00 1j3g s VAL 99 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 1j3g s VAL 99 Cb 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.37 1j3g s VAL 99 CO 0.00 0.38 0.85 -0.94 0.00 0.00 0.00 175.10 175.39 1j3g s SER 100 N -0.34 -0.42 -0.07 3.32 1.04 -1.24 -4.77 113.70 111.21 1j3g s SER 100 Ca 0.05 0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 1j3g s SER 100 Cb -0.07 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.50 1j3g s SER 100 CO -0.00 -0.61 0.46 -0.94 0.98 0.00 0.00 173.24 173.12 1j3g s SER 101 N -2.15 -0.41 -0.02 7.02 1.04 -1.26 -0.20 113.70 117.71 1j3g s SER 101 Ca 0.02 0.51 -0.14 0.00 0.48 0.00 0.00 55.95 56.82 1j3g s SER 101 Cb -0.01 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1j3g s SER 101 CO -0.06 -0.41 0.31 -0.47 0.98 0.00 0.00 173.24 173.59 1j3g s TYR 102 N -0.83 -0.20 -1.33 5.02 5.04 -1.00 -4.35 117.35 119.71 1j3g s TYR 102 Ca -0.09 0.32 -0.13 0.00 -2.44 0.00 0.00 57.07 54.73 1j3g s TYR 102 Cb -0.03 0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.39 1j3g s TYR 102 CO 0.05 -0.37 0.25 1.04 -1.34 0.00 0.00 175.55 175.18 1j3g n GLN 103 N 1.44 -0.67 -2.28 4.97 6.02 -1.26 -1.43 117.38 124.18 1j3g n GLN 103 Ca -0.21 0.06 -0.21 0.00 -0.01 0.00 0.00 57.00 56.63 1j3g n GLN 103 Cb 0.56 -2.89 -0.02 0.00 1.02 0.00 0.00 30.24 28.91 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 -2.31 -0.11 2.81 1.08 0.00 -1.26 -4.98 105.19 100.42 1j3g n GLY 104 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.85 1.00 0.35 1.61 3.00 -0.51 -5.13 118.95 114.43 1j3g s ARG 105 Ca 0.00 -0.43 -0.25 0.00 -1.00 0.00 0.00 55.73 54.05 1j3g s ARG 105 Cb 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 34.95 32.89 1j3g s ARG 105 CO 0.00 -0.52 0.95 -2.00 0.00 0.00 0.00 175.30 173.73 1j3g s GLU 106 N 1.75 4.49 -0.27 5.12 2.12 -1.26 -2.36 118.70 128.29 1j3g s GLU 106 Ca -0.00 1.29 -0.08 0.00 0.36 0.00 0.00 54.97 56.54 1j3g s GLU 106 Cb -0.16 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 1j3g s GLU 106 CO -0.07 0.20 0.11 1.03 -0.54 0.00 0.00 175.26 175.98 1j3g s ARG 107 N -2.31 3.54 0.42 4.30 0.52 0.72 -4.96 118.95 121.17 1j3g s ARG 107 Ca 0.53 -0.57 0.23 0.00 -0.52 0.00 0.00 55.73 55.40 1j3g s ARG 107 Cb -0.17 -3.43 0.76 0.00 0.52 0.00 0.00 34.95 32.63 1j3g s ARG 107 CO 0.22 -0.28 1.76 0.00 0.02 0.00 0.00 175.30 177.01 1j3g s ASN 109 N -6.22 0.12 -1.24 0.00 0.01 -1.26 -4.74 114.94 101.62 1j3g s ASN 109 Ca 0.02 -1.20 -0.12 0.00 -0.71 0.00 0.00 52.86 50.84 1j3g s ASN 109 Cb 0.09 0.49 0.17 0.00 0.41 0.00 0.00 41.25 42.41 1j3g s ASN 109 CO 0.65 -1.00 1.59 -0.67 -1.51 0.00 0.00 177.10 176.16 1j3g n ASP 110 N -0.41 5.18 -1.91 -1.22 -0.08 -1.26 -4.80 116.55 112.05 1j3g n ASP 110 Ca 0.01 -3.02 -0.17 0.00 -1.51 0.00 0.00 54.79 50.09 1j3g n ASP 110 Cb 0.64 -1.54 0.04 0.00 2.34 0.00 0.00 41.12 42.59 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 5.05 1.54 -4.38 -0.67 1.16 -1.26 -4.21 117.46 114.69 1j3g n PHE 111 Ca 0.38 -1.97 -0.22 0.00 -1.87 0.00 0.00 57.45 53.77 1j3g n PHE 111 Cb 0.40 -0.96 -0.16 0.00 -1.61 0.00 0.00 39.48 37.15 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 0.19 1.33 -1.02 5.98 0.01 -1.26 -3.96 113.70 114.96 1j3g s SER 112 Ca 0.31 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 57.28 1j3g s SER 112 Cb 0.24 -0.61 -0.14 0.00 0.21 0.00 0.00 66.02 65.73 1j3g s SER 112 CO -0.01 -0.00 3.03 0.00 0.41 0.00 0.00 173.24 176.67 1j3g n ILE 113 N 3.87 3.63 0.00 1.44 0.00 -1.26 -4.82 119.36 122.22 1j3g n ILE 113 Ca -0.24 -2.08 0.00 0.00 0.00 0.00 0.00 62.75 60.43 1j3g n ILE 113 Cb 0.51 -2.36 0.00 0.00 0.00 0.00 0.00 39.64 37.80 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 3.26 1.12 3.20 4.50 0.00 -1.23 -4.83 105.19 111.20 1j3g n GLY 114 Ca 0.63 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 1.98 0.11 -0.14 -0.61 -1.09 -1.26 -4.16 121.20 116.04 1j3g s ILE 115 Ca 0.00 -1.69 -0.04 0.00 -2.23 0.00 0.00 60.65 56.69 1j3g s ILE 115 Cb 0.00 -1.86 0.07 0.00 -1.58 0.00 0.00 42.46 39.09 1j3g s ILE 115 CO 0.00 -0.50 0.20 -0.70 -1.23 0.00 0.00 174.94 172.71 1j3g s GLU 116 N -3.99 0.12 0.07 2.79 2.12 0.38 -3.30 118.70 116.88 1j3g s GLU 116 Ca 0.18 0.47 -0.25 0.00 0.36 0.00 0.00 54.97 55.73 1j3g s GLU 116 Cb 0.06 -0.57 -0.06 0.00 0.26 0.00 0.00 34.13 33.82 1j3g s GLU 116 CO -0.01 -0.43 0.78 -0.51 -0.54 0.00 0.00 175.26 174.55 1j3g s LEU 117 N 2.33 4.48 0.12 2.70 2.01 -1.25 -2.06 118.68 127.01 1j3g s LEU 117 Ca 0.04 1.50 0.03 0.00 0.01 0.00 0.00 54.13 55.72 1j3g s LEU 117 Cb -0.13 -3.27 -0.04 0.00 0.01 0.00 0.00 46.19 42.76 1j3g s LEU 117 CO -0.09 0.04 0.16 -0.70 1.01 0.00 0.00 176.35 176.78 1j3g s GLU 118 N -0.22 3.08 0.24 1.70 2.12 0.05 -2.68 118.70 122.99 1j3g s GLU 118 Ca 0.39 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.80 1j3g s GLU 118 Cb -0.21 -2.79 0.05 0.00 0.26 0.00 0.00 34.13 31.44 1j3g s GLU 118 CO 0.24 0.53 0.87 0.20 -0.54 0.00 0.00 175.26 176.56 1j3g s GLY 119 N -2.86 -0.00 -0.24 -1.50 0.00 -0.36 -3.08 107.32 99.28 1j3g s GLY 119 Ca 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 44.72 44.74 1j3g s GLY 119 CO 0.25 0.33 0.28 -0.51 0.00 0.00 0.00 173.10 173.44 1j3g s THR 120 N -3.05 -0.41 -1.51 0.90 -4.23 -1.26 -4.37 115.64 101.71 1j3g s THR 120 Ca 0.14 -0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.39 1j3g s THR 120 Cb -0.04 -0.80 0.04 0.00 1.34 0.00 0.00 72.50 73.04 1j3g s THR 120 CO 0.06 -0.26 0.41 -0.67 -0.54 0.00 0.00 174.62 173.62 1j3g n ASP 121 N 5.33 -0.69 -3.92 3.99 2.03 -1.26 -1.72 116.55 120.30 1j3g n ASP 121 Ca -0.04 -1.07 -0.31 0.00 0.52 0.00 0.00 54.79 53.89 1j3g n ASP 121 Cb 0.49 -2.66 -0.02 0.00 -0.72 0.00 0.00 41.12 38.20 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 -4.43 -0.90 -2.02 5.18 -2.24 -1.26 -4.94 114.28 103.67 1j3g n THR 122 Ca -0.23 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.18 1j3g n THR 122 Cb 0.64 -1.57 0.02 0.00 -2.10 0.00 0.00 70.33 67.32 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 -6.94 3.92 -0.33 3.22 2.96 -0.70 -4.79 118.68 116.02 1j3g s LEU 123 Ca 0.62 2.53 -0.29 0.00 -0.22 0.00 0.00 54.13 56.77 1j3g s LEU 123 Cb -0.34 -4.27 -0.13 0.00 0.50 0.00 0.00 46.19 41.95 1j3g s LEU 123 CO 0.77 -1.25 1.28 0.00 -1.32 0.00 0.00 176.35 175.82 1j3g n ALA 124 N -0.79 -0.18 1.01 5.97 0.00 -1.26 -4.78 120.51 120.48 1j3g n ALA 124 Ca 0.09 0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1j3g n ALA 124 Cb 0.47 -1.32 0.60 0.00 0.00 0.00 0.00 19.45 19.19 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 4.16 0.00 -2.24 0.00 4.01 -1.26 -4.73 117.16 117.10 1j3g n TYR 125 Ca 0.31 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 58.01 1j3g n TYR 125 Cb -0.03 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 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 -1.45 -6.75 -0.08 -0.72 -2.24 -1.25 -4.46 114.28 97.32 1j3g n THR 126 Ca 0.08 0.39 0.07 0.00 -2.27 0.00 0.00 64.05 62.31 1j3g n THR 126 Cb 0.29 -5.71 0.11 0.00 -2.10 0.00 0.00 70.33 62.92 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 -0.55 0.02 -0.28 3.42 9.92 -1.26 -0.40 116.55 127.41 1j3g n ASP 127 Ca 0.05 0.19 0.09 0.00 -0.53 0.00 0.00 54.79 54.59 1j3g n ASP 127 Cb 0.29 -0.09 0.22 0.00 -0.64 0.00 0.00 41.12 40.89 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 0.21 1.00 -0.47 2.24 0.00 -1.97 -1.33 119.26 118.93 1j3g h ALA 128 Ca 0.14 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1j3g h ALA 128 Cb 0.48 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1j3g h ALA 128 CO -0.05 -0.45 -0.06 1.96 0.00 0.00 0.00 179.25 180.65 1j3g h GLN 129 N 0.13 0.05 -0.96 0.00 4.20 -0.95 0.43 115.11 118.02 1j3g h GLN 129 Ca 0.48 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.19 1j3g h GLN 129 Cb 0.91 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 1j3g h GLN 129 CO -0.69 0.03 0.59 1.88 -0.67 0.00 0.00 178.83 179.97 1j3g h TYR 130 N 0.05 1.25 0.04 2.96 0.05 -1.44 0.25 116.97 120.13 1j3g h TYR 130 Ca 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1j3g h TYR 130 Cb 0.36 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1j3g h TYR 130 CO -0.36 0.82 -0.02 1.96 -1.05 0.00 0.00 178.16 179.52 1j3g h GLN 131 N 1.31 -0.05 -0.12 4.88 4.20 -1.01 -1.39 115.11 122.93 1j3g h GLN 131 Ca 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1j3g h GLN 131 Cb -0.08 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1j3g h GLN 131 CO -0.07 0.25 0.05 1.96 -0.67 0.00 0.00 178.83 180.35 1j3g h GLN 132 N -0.35 0.18 -0.14 1.46 1.08 -0.69 -0.20 115.11 116.45 1j3g h GLN 132 Ca -0.01 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1j3g h GLN 132 Cb 0.32 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1j3g h GLN 132 CO 0.01 0.28 -0.03 1.25 -0.95 0.00 0.00 178.83 179.38 1j3g h LEU 133 N 0.05 -0.13 -0.99 1.46 5.85 -0.60 -1.11 115.31 119.83 1j3g h LEU 133 Ca 0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1j3g h LEU 133 Cb 0.16 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1j3g h LEU 133 CO -0.00 -0.05 0.60 0.00 -0.34 0.00 0.00 178.44 178.65 1j3g h ALA 134 N 1.14 1.25 0.22 1.25 0.00 -0.99 0.12 119.26 122.25 1j3g h ALA 134 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j3g h ALA 134 Cb 0.10 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1j3g h ALA 134 CO -0.15 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 1j3g h ALA 135 N 1.35 -0.41 -0.38 0.00 0.00 -0.55 0.12 119.26 119.38 1j3g h ALA 135 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 135 Cb -0.09 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j3g h ALA 135 CO -0.07 -0.76 0.25 0.28 0.00 0.00 0.00 179.25 178.96 1j3g h VAL 136 N -0.44 1.10 0.25 0.00 2.07 -0.84 -2.29 116.25 116.10 1j3g h VAL 136 Ca -0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1j3g h VAL 136 Cb 0.40 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1j3g h VAL 136 CO -0.04 0.10 -0.19 0.74 0.02 0.00 0.00 177.57 178.20 1j3g h THR 137 N 0.52 0.59 -0.50 2.57 2.02 -0.53 -0.06 112.91 117.52 1j3g h THR 137 Ca 0.14 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.37 1j3g h THR 137 Cb -0.06 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1j3g h THR 137 CO -0.03 0.00 0.23 0.78 0.37 0.00 0.00 175.52 176.87 1j3g h ASN 138 N -0.45 0.31 -0.27 4.18 2.35 -0.70 -1.00 115.58 120.00 1j3g h ASN 138 Ca -0.01 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1j3g h ASN 138 Cb 0.40 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1j3g h ASN 138 CO -0.01 0.22 -0.05 0.00 -1.65 0.00 0.00 177.43 175.94 1j3g h ALA 139 N 1.28 0.37 -0.88 -0.83 0.00 -1.22 -2.72 119.26 115.26 1j3g h ALA 139 Ca 0.22 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1j3g h ALA 139 Cb 0.16 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1j3g h ALA 139 CO -0.18 0.16 0.57 -0.07 0.00 0.00 0.00 179.25 179.74 1j3g h LEU 140 N 0.27 0.85 -1.11 0.00 3.38 -0.66 -1.39 115.31 116.64 1j3g h LEU 140 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j3g h LEU 140 Cb 0.52 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1j3g h LEU 140 CO 0.02 0.54 0.56 0.40 0.09 0.00 0.00 178.44 180.05 1j3g h ILE 141 N 0.96 1.23 -0.64 1.22 2.04 -0.99 0.11 117.51 121.45 1j3g h ILE 141 Ca 0.39 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1j3g h ILE 141 Cb 0.26 -0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1j3g h ILE 141 CO -0.15 0.23 0.42 0.74 0.00 0.00 0.00 178.15 179.39 1j3g h THR 142 N 1.18 0.99 0.00 -0.27 2.02 -0.95 -2.52 112.91 113.36 1j3g h THR 142 Ca 0.32 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1j3g h THR 142 Cb -0.11 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1j3g h THR 142 CO -0.07 0.11 -0.39 0.03 0.37 0.00 0.00 175.52 175.57 1j3g h ARG 143 N 0.61 0.00 -4.36 6.66 2.47 -1.07 -3.44 114.38 115.25 1j3g h ARG 143 Ca 0.28 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.40 1j3g h ARG 143 Cb 0.32 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.26 1j3g h ARG 143 CO -0.09 0.73 -0.80 0.71 0.56 0.00 0.00 179.97 181.09 1j3g s TYR 144 N -2.15 2.19 -0.48 3.04 1.51 0.28 -5.10 117.35 116.64 1j3g s TYR 144 Ca -0.18 -1.50 -0.20 0.00 -1.01 0.00 0.00 57.07 54.18 1j3g s TYR 144 Cb 0.00 -1.52 0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1j3g s TYR 144 CO 0.50 -0.72 0.65 -1.25 -1.11 0.00 0.00 175.55 173.62 1j3g s PRO 145 N 1.47 3.19 0.00 -1.71 0.04 -0.96 -3.99 135.00 133.04 1j3g s PRO 145 Ca -0.02 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.35 1j3g s PRO 145 Cb -0.17 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1j3g s PRO 145 CO -0.07 -1.16 0.00 0.00 0.04 0.00 0.00 177.00 175.81 1j3g n ALA 146 N 6.29 1.17 -0.33 8.56 0.00 -1.26 -4.90 120.51 130.04 1j3g n ALA 146 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.67 1j3g n ALA 146 Cb 0.46 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.51 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 0.46 -0.45 0.00 2.04 -1.76 0.76 117.51 118.56 1j3g h ILE 147 Ca 0.00 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.90 1j3g h ILE 147 Cb 0.00 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 1j3g h ILE 147 CO 0.00 0.05 0.49 0.00 0.00 0.00 0.00 178.15 178.69 1j3g h ALA 148 N 1.56 2.16 0.00 1.87 0.00 -1.90 -1.41 119.26 121.53 1j3g h ALA 148 Ca 0.60 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.46 1j3g h ALA 148 Cb 1.80 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 1j3g h ALA 148 CO -0.21 -0.72 -0.46 0.09 0.00 0.00 0.00 179.25 177.94 1j3g n ASN 149 N -3.67 0.78 -3.45 0.00 4.13 0.21 -4.79 115.26 108.46 1j3g n ASN 149 Ca 0.08 -2.36 -0.28 0.00 1.68 0.00 0.00 54.58 53.70 1j3g n ASN 149 Cb 0.68 -0.29 -0.11 0.00 -1.54 0.00 0.00 39.78 38.52 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 -1.70 2.42 -0.11 6.41 -0.87 -0.53 -4.89 114.94 115.67 1j3g s ASN 150 Ca 0.14 -2.58 -0.01 0.00 -1.57 0.00 0.00 52.86 48.84 1j3g s ASN 150 Cb 0.14 -0.46 0.03 0.00 -0.02 0.00 0.00 41.25 40.94 1j3g s ASN 150 CO -0.02 -0.25 -0.04 -0.04 -2.57 0.00 0.00 177.10 174.18 1j3g s MET 151 N 0.59 1.13 0.24 -0.60 -1.94 -1.26 -1.89 119.30 115.58 1j3g s MET 151 Ca 0.24 -0.15 -0.04 0.00 -1.71 0.00 0.00 55.69 54.03 1j3g s MET 151 Cb -0.12 -1.42 0.02 0.00 2.01 0.00 0.00 34.83 35.32 1j3g s MET 151 CO -0.08 -0.31 0.38 -2.37 -0.01 0.00 0.00 175.02 172.63 1j3g n THR 152 N 5.02 0.00 0.00 2.05 5.66 -1.00 -5.00 114.28 121.01 1j3g n THR 152 Ca -0.10 -1.01 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 1j3g n THR 152 Cb 0.50 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 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 -0.37 5.07 0.01 1.09 0.00 -1.25 -0.49 105.19 109.25 1j3g n GLY 153 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 0.61 1.61 -0.00 -0.45 -4.59 115.22 112.39 1j3g n HIS 154 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 1j3g n HIS 154 Cb 0.00 -0.13 -0.11 0.00 -0.00 0.00 0.00 29.99 29.75 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 -1.59 2.05 0.32 0.00 5.15 -1.07 -4.32 115.26 115.79 1j3g n ASN 156 Ca 0.02 -2.20 0.21 0.00 -0.60 0.00 0.00 54.58 52.00 1j3g n ASN 156 Cb 0.32 -0.47 1.03 0.00 -0.53 0.00 0.00 39.78 40.14 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 1.11 0.02 0.00 -1.44 -2.65 -1.78 -3.41 117.51 109.35 1j3g h ILE 157 Ca 0.00 -0.19 0.00 0.00 1.03 0.00 0.00 64.86 65.70 1j3g h ILE 157 Cb 0.78 1.18 0.00 0.00 -2.05 0.00 0.00 36.82 36.73 1j3g h ILE 157 CO 0.11 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.29 1j3g n ALA 158 N -2.09 1.88 -2.59 0.16 0.00 -1.26 -4.61 120.51 112.00 1j3g n ALA 158 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1j3g n ALA 158 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.39 3.66 0.50 0.00 0.04 -1.26 -4.89 135.00 131.66 1j3g s PRO 159 Ca 0.00 0.46 0.34 0.00 0.04 0.00 0.00 61.00 61.84 1j3g s PRO 159 Cb 0.00 -3.94 1.82 0.00 0.04 0.00 0.00 34.50 32.42 1j3g s PRO 159 CO 0.00 -1.48 2.03 1.49 0.04 0.00 0.00 177.00 179.08 1j3g h GLU 160 N 9.33 0.00 0.00 4.56 4.81 -1.88 -3.04 114.58 128.36 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 1.15 0.00 -0.00 -0.09 -0.73 0.00 0.00 179.01 179.33 1j3g h ARG 161 N 0.00 0.00 -5.01 1.92 9.65 -1.94 -3.39 114.38 115.61 1j3g h ARG 161 Ca 0.00 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.45 1j3g h ARG 161 Cb 0.00 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 28.30 1j3g h ARG 161 CO 0.00 0.00 -0.79 0.15 2.80 0.00 0.00 179.97 182.13 1j3g s LYS 162 N -4.54 0.92 0.00 0.20 1.02 -1.15 -4.98 119.74 111.22 1j3g s LYS 162 Ca -0.05 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1j3g s LYS 162 Cb 0.15 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1j3g s LYS 162 CO 0.52 0.24 0.00 2.41 -0.92 0.00 0.00 175.35 177.60 1j3g n THR 163 N 2.71 0.00 -3.88 2.17 -1.04 -1.26 -2.60 114.28 110.38 1j3g n THR 163 Ca -0.14 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.05 61.72 1j3g n THR 163 Cb 0.56 0.61 0.01 0.00 -1.82 0.00 0.00 70.33 69.69 1j3g n THR 163 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j3g s ASP 164 N -1.41 -0.01 -1.24 8.00 2.15 -1.26 -1.21 116.67 121.69 1j3g s ASP 164 Ca 0.00 -0.53 -0.09 0.00 0.43 0.00 0.00 52.55 52.36 1j3g s ASP 164 Cb 0.00 0.41 -0.12 0.00 -0.30 0.00 0.00 42.92 42.90 1j3g s ASP 164 CO 0.00 -0.80 3.02 -0.81 -0.17 0.00 0.00 175.17 176.41 1j3g n PRO 165 N -0.72 3.23 0.00 4.34 -0.04 -1.26 -3.72 135.00 136.83 1j3g n PRO 165 Ca -0.02 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1j3g n PRO 165 Cb 0.60 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 3.37 -0.65 0.00 0.55 0.00 -1.26 -5.13 105.19 102.07 1j3g n GLY 166 Ca 0.69 0.32 0.00 0.00 0.00 0.00 0.00 46.02 47.03 1j3g n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3g n PRO 167 N 0.00 0.00 -3.82 1.61 -0.04 -1.24 -4.26 135.00 127.25 1j3g n PRO 167 Ca 0.00 0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 63.58 1j3g n PRO 167 Cb 0.00 -1.19 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1j3g n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 168 N -1.67 -3.55 -0.09 3.54 2.88 -1.26 -4.52 113.62 108.96 1j3g n SER 168 Ca 0.00 -0.78 0.07 0.00 -1.33 0.00 0.00 58.87 56.83 1j3g n SER 168 Cb 0.00 -4.02 0.10 0.00 -0.75 0.00 0.00 64.21 59.54 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 -4.55 0.00 -3.76 0.66 7.35 -1.26 -5.04 117.46 110.86 1j3g n PHE 169 Ca -0.09 -0.79 -0.25 0.00 -0.76 0.00 0.00 57.45 55.56 1j3g n PHE 169 Cb 0.58 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.30 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 -1.09 -5.06 -0.32 -2.13 -0.08 -1.26 -4.43 116.55 102.19 1j3g n ASP 170 Ca 0.11 -0.93 0.25 0.00 -1.51 0.00 0.00 54.79 52.72 1j3g n ASP 170 Cb 0.56 -2.07 0.56 0.00 2.34 0.00 0.00 41.12 42.51 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 -0.55 0.51 -0.12 -0.67 -0.00 -1.97 0.13 115.95 113.27 1j3g h TRP 171 Ca -0.59 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.30 1j3g h TRP 171 Cb 1.36 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 30.37 1j3g h TRP 171 CO 0.25 0.04 0.01 0.00 -0.00 0.00 0.00 178.44 178.74 1j3g h ALA 172 N 1.58 0.16 0.11 1.49 0.00 -1.98 -1.16 119.26 119.46 1j3g h ALA 172 Ca 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1j3g h ALA 172 Cb 1.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1j3g h ALA 172 CO -0.23 -0.17 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 1j3g h ARG 173 N -0.04 -0.15 -0.25 0.00 2.47 -1.11 -0.48 114.38 114.83 1j3g h ARG 173 Ca 0.04 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1j3g h ARG 173 Cb 0.32 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1j3g h ARG 173 CO 0.00 -0.06 0.06 0.35 0.56 0.00 0.00 179.97 180.88 1j3g h PHE 174 N -0.19 0.41 -0.24 3.04 3.57 -1.31 -0.09 116.94 122.14 1j3g h PHE 174 Ca -0.02 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1j3g h PHE 174 Cb 0.15 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1j3g h PHE 174 CO -0.06 0.48 0.02 -0.09 -2.23 0.00 0.00 178.31 176.44 1j3g h ARG 175 N 0.22 0.34 -0.32 1.11 2.43 -1.22 -1.20 114.38 115.75 1j3g h ARG 175 Ca 0.08 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1j3g h ARG 175 Cb 0.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1j3g h ARG 175 CO 0.00 0.35 -0.04 0.00 -1.51 0.00 0.00 179.97 178.77 1j3g h ALA 176 N 1.70 0.43 0.33 2.80 0.00 -0.61 -3.37 119.26 120.53 1j3g h ALA 176 Ca 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1j3g h ALA 176 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j3g h ALA 176 CO 0.00 0.23 -0.16 -0.07 0.00 0.00 0.00 179.25 179.26 1j3g h LEU 177 N 0.38 -0.37-10.10 0.00 3.38 -0.40 -3.45 115.31 104.75 1j3g h LEU 177 Ca 0.08 -0.17 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 1j3g h LEU 177 Cb 0.52 0.10 0.10 0.00 0.09 0.00 0.00 40.66 41.46 1j3g h LEU 177 CO 0.02 0.02 0.46 -0.69 0.09 0.00 0.00 178.44 178.35 1j3g s VAL 178 N -4.42 2.77 -0.36 1.22 1.01 -0.51 -4.91 120.40 115.20 1j3g s VAL 178 Ca -0.14 0.48 -0.39 0.00 0.00 0.00 0.00 61.98 61.93 1j3g s VAL 178 Cb 0.02 -3.19 -0.15 0.00 0.00 0.00 0.00 36.38 33.07 1j3g s VAL 178 CO 0.51 -0.11 2.01 0.41 0.00 0.00 0.00 175.10 177.92 1j3g n THR 179 N -1.54 0.18 -2.22 3.92 -1.04 -1.26 -4.84 114.28 107.48 1j3g n THR 179 Ca 0.13 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 1j3g n THR 179 Cb 0.50 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 6.97 3.14 -3.88 -2.82 -0.04 -1.26 -4.65 135.00 132.47 1j3g n PRO 180 Ca 0.39 -3.10 -0.32 0.00 -0.04 0.00 0.00 63.50 60.43 1j3g n PRO 180 Cb 0.13 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 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 6.33 -1.12 0.00 3.54 2.88 -1.26 -4.31 113.62 119.69 1j3g n SER 181 Ca 0.47 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 1j3g n SER 181 Cb 0.41 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 -1.80 0.00 -1.92 -3.46 2.88 -1.26 -4.95 113.62 103.11 1j3g n SER 182 Ca 0.04 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.54 1j3g n SER 182 Cb 0.38 0.25 -0.06 0.00 -0.75 0.00 0.00 64.21 64.02 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 -2.00 0.00 -2.91 0.66 -0.00 -1.26 -4.87 115.22 104.84 1j3g n HIS 183 Ca 0.00 -0.87 -0.41 0.00 -0.00 0.00 0.00 57.72 56.43 1j3g n HIS 183 Cb 0.00 -0.85 -0.04 0.00 -0.00 0.00 0.00 29.99 29.09 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 1.16 4.30 0.00 1.57 2.20 -1.26 -4.90 119.74 122.81 1j3g s LYS 184 Ca 0.25 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1j3g s LYS 184 Cb 0.12 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1j3g s LYS 184 CO 0.00 -0.29 0.00 -0.85 -0.36 0.00 0.00 175.35 173.85 1j3g n GLU 185 N 5.10 -0.16 -3.63 4.03 0.00 -1.26 -5.11 120.64 119.61 1j3g n GLU 185 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.09 1j3g n GLU 185 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.82 1j3g n GLU 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 1j3g s MET 186 N -1.34 0.26 0.00 3.44 1.75 -1.26 -5.15 119.30 117.00 1j3g s MET 186 Ca 0.00 0.90 0.00 0.00 -1.25 0.00 0.00 55.69 55.34 1j3g s MET 186 Cb 0.00 0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.80 1j3g s MET 186 CO 0.00 -0.30 0.00 2.41 -0.65 0.00 0.00 175.02 176.48