#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 2.45 -0.03 -0.89 2.96 -1.26 -4.93 118.68 116.97 1j3g s LEU 2 Ca 0.00 -0.91 0.05 0.00 -0.22 0.00 0.00 54.13 53.05 1j3g s LEU 2 Cb 0.00 0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.82 1j3g s LEU 2 CO 0.00 -0.53 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.56 1j3g s LEU 3 N -2.68 1.97 -0.10 -0.68 1.43 -1.26 -1.69 118.68 115.66 1j3g s LEU 3 Ca 0.04 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1j3g s LEU 3 Cb 0.04 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1j3g s LEU 3 CO -0.08 0.18 -0.12 -0.62 0.23 0.00 0.00 176.35 175.94 1j3g s ASP 4 N -0.14 2.24 -1.36 2.29 2.15 -0.25 -4.80 116.67 116.80 1j3g s ASP 4 Ca 0.00 -0.37 -0.14 0.00 0.43 0.00 0.00 52.55 52.47 1j3g s ASP 4 Cb -0.10 -0.97 0.13 0.00 -0.30 0.00 0.00 42.92 41.68 1j3g s ASP 4 CO 0.01 -0.03 0.52 -0.62 -0.17 0.00 0.00 175.17 174.89 1j3g n GLU 5 N 4.38 -2.61 -0.66 4.34 -0.58 -1.26 -0.37 120.64 123.88 1j3g n GLU 5 Ca -0.18 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1j3g n GLU 5 Cb 0.51 -4.95 0.00 0.00 -0.57 0.00 0.00 31.44 26.42 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 -1.10 1.49 3.98 0.62 0.00 -1.26 -5.03 105.19 103.89 1j3g n GLY 6 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.59 2.95 -0.19 1.61 0.52 0.50 -4.77 118.94 115.97 1j3g s TRP 7 Ca 0.00 -0.07 -0.21 0.00 0.02 0.00 0.00 56.10 55.85 1j3g s TRP 7 Cb 0.00 -2.51 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 1j3g s TRP 7 CO 0.00 -0.58 0.62 -1.17 0.02 0.00 0.00 176.95 175.83 1j3g s LEU 8 N -4.57 4.16 0.61 2.99 0.20 -1.26 -1.09 118.68 119.72 1j3g s LEU 8 Ca 0.54 0.84 -0.01 0.00 0.69 0.00 0.00 54.13 56.18 1j3g s LEU 8 Cb -0.10 -2.88 0.05 0.00 -0.43 0.00 0.00 46.19 42.83 1j3g s LEU 8 CO 0.36 -0.25 0.87 0.00 -0.29 0.00 0.00 176.35 177.04 1j3g s ALA 9 N 1.78 3.67 -1.27 5.97 0.00 -0.68 -4.55 121.76 126.68 1j3g s ALA 9 Ca 0.29 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 1j3g s ALA 9 Cb -0.16 -2.21 0.04 0.00 0.00 0.00 0.00 23.12 20.79 1j3g s ALA 9 CO 0.11 -0.98 0.58 0.39 0.00 0.00 0.00 175.76 175.85 1j3g n GLU 10 N -2.56 -0.38 -3.67 0.00 -0.58 -1.26 -4.59 120.64 107.59 1j3g n GLU 10 Ca 0.09 0.08 -0.12 0.00 -0.42 0.00 0.00 57.16 56.79 1j3g n GLU 10 Cb 0.60 -2.71 -0.06 0.00 -0.57 0.00 0.00 31.44 28.70 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j3g s ALA 11 N -3.66 -0.93 0.02 0.62 0.00 -1.26 -4.94 121.76 111.61 1j3g s ALA 11 Ca 0.42 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1j3g s ALA 11 Cb -0.23 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1j3g s ALA 11 CO 0.98 -0.50 1.04 0.50 0.00 0.00 0.00 175.76 177.77 1j3g s ARG 12 N -2.89 4.53 -0.06 0.00 6.06 -0.28 -4.97 118.95 121.35 1j3g s ARG 12 Ca -0.03 1.52 0.02 0.00 -2.50 0.00 0.00 55.73 54.73 1j3g s ARG 12 Cb 0.00 -3.43 -0.03 0.00 0.06 0.00 0.00 34.95 31.55 1j3g s ARG 12 CO -0.05 -0.10 -0.08 -0.98 -2.50 0.00 0.00 175.30 171.58 1j3g s ARG 13 N 1.01 2.69 -0.41 5.12 1.70 -1.26 -0.73 118.95 127.07 1j3g s ARG 13 Ca 0.54 -0.59 0.07 0.00 -0.47 0.00 0.00 55.73 55.28 1j3g s ARG 13 Cb -0.23 -2.55 0.23 0.00 -0.57 0.00 0.00 34.95 31.84 1j3g s ARG 13 CO 0.28 0.65 0.54 0.28 -1.08 0.00 0.00 175.30 175.97 1j3g n VAL 14 N 2.18 -0.69 -2.16 4.99 0.31 0.25 -4.91 118.33 118.31 1j3g n VAL 14 Ca -0.18 -3.56 -0.42 0.00 -0.01 0.00 0.00 64.34 60.17 1j3g n VAL 14 Cb 0.53 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 1j3g n VAL 14 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j3g s PRO 15 N -0.72 4.24 -0.08 5.55 0.04 -1.26 -4.30 135.00 138.47 1j3g s PRO 15 Ca 0.34 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.45 1j3g s PRO 15 Cb 0.15 -3.71 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1j3g s PRO 15 CO -0.14 -0.68 -0.22 0.45 0.04 0.00 0.00 177.00 176.45 1j3g s SER 16 N 2.33 2.80 -0.48 6.66 0.15 -1.26 -4.99 113.70 118.91 1j3g s SER 16 Ca 0.66 -0.49 -0.07 0.00 0.70 0.00 0.00 55.95 56.75 1j3g s SER 16 Cb -0.32 -1.08 -0.22 0.00 -1.71 0.00 0.00 66.02 62.70 1j3g s SER 16 CO 0.26 0.17 3.43 -0.81 1.20 0.00 0.00 173.24 177.49 1j3g n PRO 17 N 3.36 2.51 -2.29 5.44 -0.04 -1.26 -4.20 135.00 138.51 1j3g n PRO 17 Ca -0.19 -1.36 -0.20 0.00 -0.04 0.00 0.00 63.50 61.71 1j3g n PRO 17 Cb 0.53 -2.24 0.02 0.00 -0.04 0.00 0.00 33.50 31.77 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 2.82 2.60 -1.53 0.54 -0.00 -1.26 -5.08 115.22 113.31 1j3g n HIS 18 Ca 0.54 -2.47 -0.30 0.00 0.46 0.00 0.00 57.72 55.95 1j3g n HIS 18 Cb 0.71 -0.26 0.21 0.00 -0.12 0.00 0.00 29.99 30.54 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 -3.58 1.02 0.35 1.57 1.51 -1.26 -4.54 117.35 112.42 1j3g s TYR 19 Ca 0.45 0.38 0.04 0.00 -1.01 0.00 0.00 57.07 56.93 1j3g s TYR 19 Cb 0.40 -3.82 -0.01 0.00 -0.11 0.00 0.00 41.96 38.41 1j3g s TYR 19 CO -0.03 -3.26 0.13 -0.25 -1.11 0.00 0.00 175.55 171.03 1j3g n ASP 20 N -4.25 1.17 -3.68 2.29 8.00 -1.20 -4.90 116.55 113.99 1j3g n ASP 20 Ca 0.15 -2.88 -0.10 0.00 0.71 0.00 0.00 54.79 52.67 1j3g n ASP 20 Cb 0.59 0.90 -0.09 0.00 -0.02 0.00 0.00 41.12 42.51 1j3g n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3g s ARG 22 N 1.33 1.00 0.00 0.00 1.81 -1.26 -5.05 118.95 116.78 1j3g s ARG 22 Ca -0.08 -0.44 -0.00 0.00 -1.72 0.00 0.00 55.73 53.48 1j3g s ARG 22 Cb -0.07 -0.96 -0.00 0.00 -0.45 0.00 0.00 34.95 33.47 1j3g s ARG 22 CO -0.13 0.26 1.83 -0.35 -0.68 0.00 0.00 175.30 176.23 1j3g n PRO 23 N 2.77 0.92 -3.99 3.54 -0.04 -1.26 -4.71 135.00 132.23 1j3g n PRO 23 Ca -0.14 -0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1j3g n PRO 23 Cb 0.56 -1.07 -0.11 0.00 -0.04 0.00 0.00 33.50 32.84 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 2.00 0.35 -0.19 3.54 1.11 -1.26 -5.16 116.67 117.06 1j3g s ASP 24 Ca 0.01 -0.50 -0.07 0.00 0.18 0.00 0.00 52.55 52.18 1j3g s ASP 24 Cb 0.01 0.09 0.09 0.00 1.07 0.00 0.00 42.92 44.17 1j3g s ASP 24 CO 0.00 -0.28 0.40 -1.81 1.18 0.00 0.00 175.17 174.67 1j3g s ASP 25 N -1.45 -0.19 0.27 0.27 1.01 -1.26 -4.95 116.67 110.37 1j3g s ASP 25 Ca -0.15 0.95 0.02 0.00 0.71 0.00 0.00 52.55 54.09 1j3g s ASP 25 Cb -0.10 1.28 -0.04 0.00 1.01 0.00 0.00 42.92 45.07 1j3g s ASP 25 CO -0.01 -0.23 0.15 -0.70 0.21 0.00 0.00 175.17 174.59 1j3g s GLU 26 N 2.58 1.48 0.05 8.23 2.12 -1.26 -5.12 118.70 126.77 1j3g s GLU 26 Ca -0.01 -1.82 -0.30 0.00 0.36 0.00 0.00 54.97 53.19 1j3g s GLU 26 Cb -0.12 -0.03 -0.08 0.00 0.26 0.00 0.00 34.13 34.16 1j3g s GLU 26 CO -0.12 -0.41 1.68 1.21 -0.54 0.00 0.00 175.26 177.07 1j3g s ASN 27 N -3.31 6.60 -0.62 -1.70 2.47 -1.26 -4.91 114.94 112.21 1j3g s ASN 27 Ca 0.37 2.46 -0.28 0.00 0.42 0.00 0.00 52.86 55.84 1j3g s ASN 27 Cb 0.06 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.32 1j3g s ASN 27 CO 0.16 -0.91 1.37 -2.16 -3.72 0.00 0.00 177.10 171.84 1j3g s PRO 28 N 3.02 3.27 -0.40 0.43 0.04 -1.26 -4.78 135.00 135.32 1j3g s PRO 28 Ca 0.75 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 1j3g s PRO 28 Cb -0.39 -4.13 0.22 0.00 0.04 0.00 0.00 34.50 30.24 1j3g s PRO 28 CO 0.33 -2.00 1.02 0.45 0.04 0.00 0.00 177.00 176.84 1j3g n SER 29 N 9.52 -2.06 -3.70 6.66 2.88 -1.26 -4.41 113.62 121.25 1j3g n SER 29 Ca 0.10 -1.81 -0.14 0.00 -1.33 0.00 0.00 58.87 55.68 1j3g n SER 29 Cb 0.49 1.09 -0.14 0.00 -0.75 0.00 0.00 64.21 64.90 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 0.58 0.13 -0.18 2.46 1.98 -1.26 -4.18 118.68 118.21 1j3g s LEU 30 Ca 0.26 0.45 -0.18 0.00 -2.89 0.00 0.00 54.13 51.78 1j3g s LEU 30 Cb 0.12 0.52 -0.04 0.00 0.66 0.00 0.00 46.19 47.46 1j3g s LEU 30 CO -0.10 -0.21 0.47 -0.22 -1.89 0.00 0.00 176.35 174.40 1j3g s LEU 31 N 1.87 4.18 -0.14 -0.68 2.96 -1.21 -3.38 118.68 122.29 1j3g s LEU 31 Ca -0.03 0.66 -0.04 0.00 -0.22 0.00 0.00 54.13 54.50 1j3g s LEU 31 Cb -0.12 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 1j3g s LEU 31 CO -0.07 -0.10 0.02 -0.69 -1.32 0.00 0.00 176.35 174.19 1j3g s VAL 32 N 1.27 4.46 -0.08 1.68 1.01 -1.23 -2.02 120.40 125.48 1j3g s VAL 32 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1j3g s VAL 32 Cb -0.15 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1j3g s VAL 32 CO 0.09 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.97 1j3g s VAL 33 N -0.18 0.80 -0.26 2.92 1.01 0.31 -4.20 120.40 120.80 1j3g s VAL 33 Ca 0.06 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1j3g s VAL 33 Cb -0.12 -0.83 0.18 0.00 0.00 0.00 0.00 36.38 35.61 1j3g s VAL 33 CO 0.02 0.31 1.28 -1.38 0.00 0.00 0.00 175.10 175.33 1j3g s HIS 34 N 1.42 -0.11 -0.39 5.22 -3.43 -1.26 -4.20 115.29 112.53 1j3g s HIS 34 Ca -0.02 0.19 -0.20 0.00 -0.80 0.00 0.00 55.06 54.23 1j3g s HIS 34 Cb -0.13 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.51 1j3g s HIS 34 CO -0.04 -0.11 0.63 1.21 -2.00 0.00 0.00 174.74 174.44 1j3g s ASN 35 N -1.05 6.37 0.42 7.38 2.47 -1.26 -3.61 114.94 125.65 1j3g s ASN 35 Ca 0.06 -0.09 0.03 0.00 0.42 0.00 0.00 52.86 53.29 1j3g s ASN 35 Cb -0.01 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 1j3g s ASN 35 CO -0.06 -0.67 0.09 -0.63 -3.72 0.00 0.00 177.10 172.12 1j3g s ILE 36 N 2.74 0.82 -0.18 -5.21 -1.09 -1.14 -4.89 121.20 112.25 1j3g s ILE 36 Ca 0.23 -2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 56.58 1j3g s ILE 36 Cb -0.14 -2.39 0.08 0.00 -1.58 0.00 0.00 42.46 38.43 1j3g s ILE 36 CO 0.17 0.00 0.39 -0.55 -1.23 0.00 0.00 174.94 173.72 1j3g s SER 37 N -3.64 -0.21 0.13 3.58 0.15 -1.26 -1.31 113.70 111.13 1j3g s SER 37 Ca 0.22 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1j3g s SER 37 Cb 0.03 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 1j3g s SER 37 CO 0.13 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.23 1j3g n LEU 38 N 5.13 -0.30 -4.83 3.45 -0.00 -1.26 -5.05 117.00 114.15 1j3g n LEU 38 Ca -0.11 0.22 -0.33 0.00 -0.00 0.00 0.00 56.01 55.79 1j3g n LEU 38 Cb 0.51 0.40 -0.03 0.00 -0.00 0.00 0.00 43.42 44.30 1j3g n LEU 38 CO 0.02 -0.56 0.69 -2.16 -0.00 0.00 0.00 177.39 175.38 1j3g s PRO 39 N -1.39 3.84 -0.62 1.96 0.04 -1.26 -4.86 135.00 132.71 1j3g s PRO 39 Ca 0.00 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.04 1j3g s PRO 39 Cb 0.00 -2.12 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 1j3g s PRO 39 CO 0.00 -0.36 3.25 -0.35 0.04 0.00 0.00 177.00 179.58 1j3g n PRO 40 N -1.48 2.73 0.00 0.56 -0.04 -1.26 -4.72 135.00 130.79 1j3g n PRO 40 Ca 0.07 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 1j3g n PRO 40 Cb 0.54 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 2.56 -2.91 3.45 0.55 0.00 -1.26 -4.77 105.19 102.81 1j3g n GLY 41 Ca 0.56 0.37 -0.06 0.00 0.00 0.00 0.00 46.02 46.89 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 -2.84 0.48 0.12 1.61 2.02 -1.26 -5.17 118.70 113.66 1j3g s GLU 42 Ca 0.00 1.17 -0.25 0.00 0.02 0.00 0.00 54.97 55.90 1j3g s GLU 42 Cb 0.00 0.43 0.08 0.00 0.10 0.00 0.00 34.13 34.74 1j3g s GLU 42 CO 0.00 -0.20 1.08 -0.06 0.02 0.00 0.00 175.26 176.09 1j3g s PHE 43 N 2.37 -0.04 -0.06 1.61 0.08 -1.26 -5.07 117.98 115.62 1j3g s PHE 43 Ca -0.06 -0.24 0.24 0.00 0.12 0.00 0.00 56.93 56.99 1j3g s PHE 43 Cb -0.10 0.63 0.44 0.00 -0.57 0.00 0.00 43.02 43.42 1j3g s PHE 43 CO -0.16 -0.70 1.17 0.41 -0.10 0.00 0.00 175.22 175.83 1j3g n GLY 44 N -0.58 1.57 3.53 4.36 0.00 -1.26 -5.05 105.19 107.76 1j3g n GLY 44 Ca -0.05 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.36 1.89 0.00 -0.02 0.00 -1.26 -5.01 107.32 100.56 1j3g s GLY 45 Ca 0.34 -1.17 0.15 0.00 0.00 0.00 0.00 44.72 44.04 1j3g s GLY 45 CO -0.14 0.64 1.48 -1.55 0.00 0.00 0.00 173.10 173.53 1j3g n PRO 46 N 5.02 0.02 -0.05 2.90 -0.04 -1.26 -3.03 135.00 138.56 1j3g n PRO 46 Ca -0.14 0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1j3g n PRO 46 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.31 -0.64 0.54 2.91 -1.99 -0.03 115.95 117.05 1j3g h TRP 47 Ca 0.00 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 59.99 1j3g h TRP 47 Cb 0.25 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 1j3g h TRP 47 CO 0.00 0.46 0.41 0.82 -1.03 0.00 0.00 178.44 179.10 1j3g h ILE 48 N 0.06 1.11 -0.34 2.65 1.08 -1.87 -2.53 117.51 117.68 1j3g h ILE 48 Ca 0.05 -0.28 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1j3g h ILE 48 Cb 0.33 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 1j3g h ILE 48 CO 0.00 0.15 0.19 -0.78 -0.69 0.00 0.00 178.15 177.03 1j3g h ASP 49 N 0.81 0.42 -0.56 1.72 3.58 -1.62 -2.70 116.42 118.07 1j3g h ASP 49 Ca 0.25 -0.07 0.08 0.00 0.42 0.00 0.00 57.03 57.70 1j3g h ASP 49 Cb -0.03 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1j3g h ASP 49 CO -0.08 0.37 0.37 0.00 -2.88 0.00 0.00 179.24 177.02 1j3g h ALA 50 N 1.07 1.94 0.62 -0.78 0.00 -0.70 0.03 119.26 121.44 1j3g h ALA 50 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1j3g h ALA 50 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j3g h ALA 50 CO -0.02 -0.05 -0.30 1.25 0.00 0.00 0.00 179.25 180.13 1j3g h LEU 51 N 0.45 -0.71 -0.41 0.00 7.12 -1.13 0.12 115.31 120.75 1j3g h LEU 51 Ca 0.25 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.17 1j3g h LEU 51 Cb 0.41 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1j3g h LEU 51 CO -0.07 -0.42 -0.03 -0.26 -0.13 0.00 0.00 178.44 177.53 1j3g h PHE 52 N -0.97 0.83 -0.33 1.25 -1.00 -1.31 -2.94 116.94 112.47 1j3g h PHE 52 Ca -0.09 -0.16 -0.09 0.00 2.81 0.00 0.00 57.97 60.45 1j3g h PHE 52 Cb 0.68 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 1j3g h PHE 52 CO -0.01 0.84 -0.16 0.00 -1.61 0.00 0.00 178.31 177.37 1j3g h THR 53 N 0.58 1.25 -0.83 -1.55 1.03 -1.11 -3.48 112.91 108.80 1j3g h THR 53 Ca 0.11 -1.14 0.00 0.00 -0.01 0.00 0.00 66.41 65.37 1j3g h THR 53 Cb 0.53 1.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 1j3g h THR 53 CO 0.03 0.38 0.00 0.61 -0.01 0.00 0.00 175.52 176.52 1j3g n GLY 54 N -0.49 0.90 0.00 2.99 0.00 -0.38 -5.05 105.19 103.16 1j3g n GLY 54 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.15 -1.74 2.61 -2.24 0.28 -5.04 114.28 107.89 1j3g n THR 55 Ca 0.00 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1j3g n THR 55 Cb 0.14 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.08 0.96 -3.80 2.28 3.06 -1.12 -4.97 119.36 115.70 1j3g n ILE 56 Ca 0.00 -0.24 -0.36 0.00 -2.50 0.00 0.00 62.75 59.65 1j3g n ILE 56 Cb 0.43 -1.93 -0.07 0.00 0.54 0.00 0.00 39.64 38.61 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 0.53 6.36 -0.70 9.51 2.15 -1.26 -5.02 116.67 128.23 1j3g s ASP 57 Ca 0.65 0.43 -0.22 0.00 0.43 0.00 0.00 52.55 53.84 1j3g s ASP 57 Cb -0.51 -2.09 -0.17 0.00 -0.30 0.00 0.00 42.92 39.85 1j3g s ASP 57 CO 0.48 0.32 1.90 -0.81 -0.17 0.00 0.00 175.17 176.89 1j3g n PRO 58 N 2.49 1.38 -0.08 4.34 -0.04 -1.26 -4.51 135.00 137.32 1j3g n PRO 58 Ca -0.18 -1.76 -0.13 0.00 -0.04 0.00 0.00 63.50 61.39 1j3g n PRO 58 Cb 0.54 -2.87 -0.04 0.00 -0.04 0.00 0.00 33.50 31.09 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 7.52 1.75 0.14 3.54 2.85 -1.26 -4.69 115.26 125.10 1j3g n ASN 59 Ca 0.49 0.29 -0.13 0.00 -0.11 0.00 0.00 54.58 55.12 1j3g n ASN 59 Cb 0.40 -0.68 -0.06 0.00 1.24 0.00 0.00 39.78 40.68 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 -0.83 -0.52 -2.33 5.20 0.00 -2.04 -3.47 119.26 115.26 1j3g h ALA 60 Ca -0.20 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 54.88 1j3g h ALA 60 Cb 1.06 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1j3g h ALA 60 CO -0.12 -0.84 0.69 -3.38 0.00 0.00 0.00 179.25 175.60 1j3g s HIS 61 N -6.04 0.04 0.08 0.00 -3.43 -1.26 -5.08 115.29 99.60 1j3g s HIS 61 Ca -0.16 -0.33 -0.16 0.00 -0.80 0.00 0.00 55.06 53.61 1j3g s HIS 61 Cb 0.07 0.65 -0.11 0.00 -1.43 0.00 0.00 32.58 31.76 1j3g s HIS 61 CO 0.65 -0.69 1.37 -1.00 -2.00 0.00 0.00 174.74 173.07 1j3g h PRO 62 N 2.00 0.61 -0.24 -0.38 0.13 -1.91 -3.35 132.00 128.85 1j3g h PRO 62 Ca -0.26 -0.35 0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1j3g h PRO 62 Cb 1.21 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1j3g h PRO 62 CO 0.33 0.96 -0.32 -0.92 -0.23 0.00 0.00 178.00 177.82 1j3g h TYR 63 N 0.30 -0.89 0.23 1.56 5.03 -1.98 0.15 116.97 121.38 1j3g h TYR 63 Ca 0.02 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1j3g h TYR 63 Cb 0.89 0.43 -0.01 0.00 1.55 0.00 0.00 36.73 39.59 1j3g h TYR 63 CO 0.08 -0.39 -0.15 0.35 -1.32 0.00 0.00 178.16 176.73 1j3g h PHE 64 N -0.33 -0.40 -0.62 -3.82 3.04 -2.00 0.69 116.94 113.50 1j3g h PHE 64 Ca 0.13 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1j3g h PHE 64 Cb 0.54 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 1j3g h PHE 64 CO -0.46 -0.24 0.37 0.00 -2.02 0.00 0.00 178.31 175.96 1j3g h ALA 65 N 0.37 0.79 0.33 2.41 0.00 -1.66 -2.40 119.26 119.10 1j3g h ALA 65 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j3g h ALA 65 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1j3g h ALA 65 CO 0.01 0.27 -0.41 0.78 0.00 0.00 0.00 179.25 179.90 1j3g h GLY 66 N 0.84 -0.94 2.00 0.00 0.00 -0.36 -3.06 103.07 101.55 1j3g h GLY 66 Ca 0.22 0.48 -0.03 0.00 0.00 0.00 0.00 47.33 48.00 1j3g h GLY 66 CO -0.04 -0.31 -0.14 0.16 0.00 0.00 0.00 176.54 176.21 1j3g h ILE 67 N -0.79 0.83 -0.97 2.60 -0.00 -0.75 -3.26 117.51 115.17 1j3g h ILE 67 Ca -0.02 -0.53 0.32 0.00 -0.00 0.00 0.00 64.86 64.63 1j3g h ILE 67 Cb 0.73 1.31 -0.17 0.00 -0.00 0.00 0.00 36.82 38.68 1j3g h ILE 67 CO -0.11 0.14 0.30 0.00 -0.00 0.00 0.00 178.15 178.47 1j3g h ALA 68 N 1.86 1.60 -0.71 0.16 0.00 -1.32 0.18 119.26 121.04 1j3g h ALA 68 Ca -0.00 0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1j3g h ALA 68 Cb 0.30 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1j3g h ALA 68 CO 0.02 -0.67 0.42 0.45 0.00 0.00 0.00 179.25 179.47 1j3g h HIS 69 N 0.08 0.79 -3.23 0.00 3.86 -1.75 -3.39 115.15 111.51 1j3g h HIS 69 Ca 0.69 0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 59.37 1j3g h HIS 69 Cb 1.58 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.78 1j3g h HIS 69 CO -0.24 0.41 0.55 -0.51 0.86 0.00 0.00 177.93 179.01 1j3g s LEU 70 N -10.22 4.31 0.55 2.43 1.02 0.64 -5.01 118.68 112.40 1j3g s LEU 70 Ca -0.13 1.74 -0.20 0.00 0.02 0.00 0.00 54.13 55.56 1j3g s LEU 70 Cb 0.16 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.76 1j3g s LEU 70 CO 0.77 -0.44 1.22 0.00 0.02 0.00 0.00 176.35 177.92 1j3g s ARG 71 N 1.64 3.19 0.32 1.70 3.03 -1.26 -4.94 118.95 122.62 1j3g s ARG 71 Ca 0.53 1.88 0.10 0.00 2.03 0.00 0.00 55.73 60.27 1j3g s ARG 71 Cb -0.23 -2.10 -0.05 0.00 -1.03 0.00 0.00 34.95 31.54 1j3g s ARG 71 CO 0.24 -1.05 -0.05 0.14 -1.13 0.00 0.00 175.30 173.45 1j3g s VAL 72 N -1.53 2.67 -0.29 4.99 -7.23 -1.26 -4.84 120.40 112.91 1j3g s VAL 72 Ca 0.73 -2.08 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 1j3g s VAL 72 Cb -0.32 -2.69 0.16 0.00 0.56 0.00 0.00 36.38 34.09 1j3g s VAL 72 CO 0.36 -0.27 1.12 -0.44 -0.31 0.00 0.00 175.10 175.56 1j3g s SER 73 N -3.66 -0.34 0.00 4.85 0.01 -0.92 -4.76 113.70 108.89 1j3g s SER 73 Ca 0.33 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1j3g s SER 73 Cb -0.02 0.94 0.00 0.00 0.21 0.00 0.00 66.02 67.15 1j3g s SER 73 CO 0.18 -0.09 0.00 0.00 0.41 0.00 0.00 173.24 173.74 1j3g n ALA 74 N 2.94 0.00 0.10 1.44 0.00 -1.26 -1.72 120.51 122.01 1j3g n ALA 74 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1j3g n ALA 74 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 -1.53 -3.73 0.00 8.25 -1.21 -4.50 115.22 112.50 1j3g n HIS 75 Ca 0.00 0.27 -0.23 0.00 -0.26 0.00 0.00 57.72 57.50 1j3g n HIS 75 Cb 0.00 0.37 -0.18 0.00 1.12 0.00 0.00 29.99 31.30 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 2.03 4.47 -0.25 0.00 2.96 -0.03 -1.18 118.68 126.67 1j3g s LEU 77 Ca 0.04 -0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 53.23 1j3g s LEU 77 Cb -0.13 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 1j3g s LEU 77 CO -0.05 -0.27 0.16 -0.63 -1.32 0.00 0.00 176.35 174.23 1j3g s ILE 78 N 1.64 5.21 0.37 6.68 1.01 -1.00 -0.70 121.20 134.41 1j3g s ILE 78 Ca 0.05 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.77 1j3g s ILE 78 Cb -0.18 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1j3g s ILE 78 CO 0.08 0.31 0.66 -0.60 0.00 0.00 0.00 174.94 175.40 1j3g s ARG 79 N 1.34 3.63 0.63 2.79 3.52 -0.25 -0.85 118.95 129.77 1j3g s ARG 79 Ca 0.07 0.13 0.27 0.00 -0.13 0.00 0.00 55.73 56.06 1j3g s ARG 79 Cb -0.15 -2.52 1.39 0.00 -1.56 0.00 0.00 34.95 32.12 1j3g s ARG 79 CO 0.07 0.04 1.80 0.07 -0.81 0.00 0.00 175.30 176.47 1j3g h ARG 80 N 1.10 0.00 -0.75 5.12 0.11 -1.76 0.34 114.38 118.55 1j3g h ARG 80 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1j3g h ARG 80 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1j3g h ARG 80 CO 0.64 0.00 0.00 -3.47 0.10 0.00 0.00 179.97 177.24 1j3g n ASP 81 N -3.21 3.78 -2.93 0.08 2.03 -1.26 -3.26 116.55 111.78 1j3g n ASP 81 Ca 0.04 -2.54 -0.21 0.00 0.52 0.00 0.00 54.79 52.59 1j3g n ASP 81 Cb 0.61 -0.60 0.04 0.00 -0.72 0.00 0.00 41.12 40.45 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 0.39 -0.46 3.46 0.27 0.00 0.10 -4.97 105.19 103.98 1j3g n GLY 82 Ca 0.16 0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.72 3.03 -0.39 1.61 2.02 -1.20 -4.89 118.70 113.16 1j3g s GLU 83 Ca 0.32 -0.95 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1j3g s GLU 83 Cb -0.14 -4.00 0.02 0.00 0.10 0.00 0.00 34.13 30.11 1j3g s GLU 83 CO 0.40 -0.84 1.10 0.42 0.02 0.00 0.00 175.26 176.35 1j3g s ILE 84 N 1.90 4.37 0.07 -1.63 -1.09 -1.26 -1.09 121.20 122.47 1j3g s ILE 84 Ca 0.08 1.48 0.05 0.00 -2.23 0.00 0.00 60.65 60.04 1j3g s ILE 84 Cb -0.19 -4.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.15 1j3g s ILE 84 CO 0.11 -0.73 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.33 1j3g s VAL 85 N 4.01 3.53 -0.14 2.92 1.01 0.13 -1.12 120.40 130.74 1j3g s VAL 85 Ca 0.46 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1j3g s VAL 85 Cb -0.10 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1j3g s VAL 85 CO 0.23 0.22 -0.12 -1.58 0.00 0.00 0.00 175.10 173.85 1j3g s GLN 86 N -1.92 2.04 -0.09 2.72 -0.44 0.09 -0.85 119.66 121.20 1j3g s GLN 86 Ca 0.20 -0.46 0.04 0.00 -2.50 0.00 0.00 55.36 52.64 1j3g s GLN 86 Cb -0.11 -1.92 0.00 0.00 -1.64 0.00 0.00 33.01 29.34 1j3g s GLN 86 CO 0.12 -0.24 -0.22 0.71 0.50 0.00 0.00 175.29 176.16 1j3g s TYR 87 N 1.54 2.38 -0.24 1.67 1.51 -0.84 -0.58 117.35 122.79 1j3g s TYR 87 Ca 0.04 -0.97 -0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1j3g s TYR 87 Cb -0.13 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1j3g s TYR 87 CO -0.10 -0.40 0.03 0.28 -1.11 0.00 0.00 175.55 174.26 1j3g n VAL 88 N 3.57-10.37 0.00 0.71 0.31 -1.26 -3.31 118.33 107.98 1j3g n VAL 88 Ca -0.20 1.64 0.00 0.00 -0.01 0.00 0.00 64.34 65.77 1j3g n VAL 88 Cb 0.53 -6.35 0.00 0.00 -0.91 0.00 0.00 33.84 27.11 1j3g n VAL 88 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1j3g n PRO 89 N 0.70 -1.75 0.00 5.55 -0.02 -1.26 -4.46 135.00 133.76 1j3g n PRO 89 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1j3g n PRO 89 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1j3g n PHE 90 N -2.93 0.00 -3.66 6.00 3.01 -1.26 -4.55 117.46 114.08 1j3g n PHE 90 Ca 0.00 -0.10 -0.16 0.00 1.01 0.00 0.00 57.45 58.20 1j3g n PHE 90 Cb 0.00 -0.10 -0.15 0.00 -0.01 0.00 0.00 39.48 39.22 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 0.12 0.66 0.00 4.37 2.15 -1.26 -4.99 116.67 117.72 1j3g s ASP 91 Ca 0.00 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.37 1j3g s ASP 91 Cb 0.00 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1j3g s ASP 91 CO 0.00 -0.25 0.00 1.17 -0.17 0.00 0.00 175.17 175.92 1j3g n LYS 92 N 5.33 0.00 -0.98 4.34 4.81 -1.26 -5.00 118.16 125.40 1j3g n LYS 92 Ca -0.05 0.35 -0.32 0.00 -0.87 0.00 0.00 58.31 57.42 1j3g n LYS 92 Cb 0.50 -1.00 -0.01 0.00 0.02 0.00 0.00 35.03 34.54 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 -0.30 0.00 -4.61 1.64 3.00 -1.26 -4.68 116.66 110.44 1j3g n ARG 93 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1j3g n ARG 93 Cb 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 32.46 31.62 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g s ALA 94 N -1.13 3.22 -0.07 5.13 0.00 -1.26 -3.20 121.76 124.45 1j3g s ALA 94 Ca 0.45 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.62 1j3g s ALA 94 Cb -0.53 0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1j3g s ALA 94 CO 0.46 -0.15 0.11 -0.46 0.00 0.00 0.00 175.76 175.72 1j3g s TRP 95 N -2.89 -0.05 -0.47 0.00 -0.00 -0.70 -4.61 118.94 110.23 1j3g s TRP 95 Ca 0.28 0.38 0.06 0.00 -0.00 0.00 0.00 56.10 56.82 1j3g s TRP 95 Cb 0.07 -0.39 0.30 0.00 -0.00 0.00 0.00 33.47 33.45 1j3g s TRP 95 CO 0.14 -0.25 1.03 -2.39 -0.00 0.00 0.00 176.95 175.48 1j3g n HIS 96 N 5.31 -2.94 0.00 5.86 1.44 -1.25 -2.17 115.22 121.48 1j3g n HIS 96 Ca -0.04 -2.06 0.00 0.00 -2.01 0.00 0.00 57.72 53.61 1j3g n HIS 96 Cb 0.50 1.55 0.00 0.00 0.12 0.00 0.00 29.99 32.16 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.77 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.68 1j3g n ALA 97 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j3g n ALA 97 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1j3g n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3g n GLY 98 N -1.45 1.99 3.08 0.00 0.00 -1.26 -5.02 105.19 102.52 1j3g n GLY 98 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 0.06 0.22 1.61 1.01 -1.26 -3.86 120.40 118.17 1j3g s VAL 99 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1j3g s VAL 99 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1j3g s VAL 99 CO 0.00 -0.25 0.57 -0.94 0.00 0.00 0.00 175.10 174.48 1j3g s SER 100 N -0.87 -0.26 -0.07 3.32 1.04 -1.04 -4.76 113.70 111.06 1j3g s SER 100 Ca -0.10 -0.55 -0.17 0.00 0.48 0.00 0.00 55.95 55.62 1j3g s SER 100 Cb -0.05 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.72 1j3g s SER 100 CO 0.01 -1.14 0.40 -0.94 0.98 0.00 0.00 173.24 172.55 1j3g s SER 101 N -2.90 -0.34 -0.11 7.02 1.04 -1.26 -0.46 113.70 116.69 1j3g s SER 101 Ca 0.11 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.70 1j3g s SER 101 Cb -0.02 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.73 1j3g s SER 101 CO 0.01 -0.35 0.78 -0.47 0.98 0.00 0.00 173.24 174.19 1j3g s TYR 102 N -0.71 -0.59 -1.27 5.02 5.04 -0.31 -4.30 117.35 120.23 1j3g s TYR 102 Ca -0.08 1.07 -0.10 0.00 -2.44 0.00 0.00 57.07 55.52 1j3g s TYR 102 Cb -0.04 0.41 -0.00 0.00 0.35 0.00 0.00 41.96 42.68 1j3g s TYR 102 CO 0.04 -0.50 0.62 1.04 -1.34 0.00 0.00 175.55 175.41 1j3g n GLN 103 N 1.08 -2.53 -2.36 4.97 6.02 -1.26 -2.67 117.38 120.63 1j3g n GLN 103 Ca -0.16 0.45 -0.19 0.00 -0.01 0.00 0.00 57.00 57.09 1j3g n GLN 103 Cb 0.57 -4.40 -0.01 0.00 1.02 0.00 0.00 30.24 27.42 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 -1.80 -0.37 2.77 1.08 0.00 -1.26 -4.97 105.19 100.64 1j3g n GLY 104 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.97 0.74 0.37 1.61 6.06 -1.09 -5.13 118.95 116.54 1j3g s ARG 105 Ca 0.00 -0.26 -0.24 0.00 -2.50 0.00 0.00 55.73 52.73 1j3g s ARG 105 Cb 0.00 -1.73 -0.10 0.00 0.06 0.00 0.00 34.95 33.18 1j3g s ARG 105 CO 0.00 -0.50 0.97 -2.00 -2.50 0.00 0.00 175.30 171.26 1j3g s GLU 106 N 1.87 4.38 -0.11 5.12 2.12 -1.26 -1.16 118.70 129.66 1j3g s GLU 106 Ca 0.01 1.30 -0.01 0.00 0.36 0.00 0.00 54.97 56.63 1j3g s GLU 106 Cb -0.15 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.72 1j3g s GLU 106 CO -0.07 0.09 -0.02 1.03 -0.54 0.00 0.00 175.26 175.75 1j3g s ARG 107 N -2.50 0.90 0.21 4.30 0.52 0.40 -4.94 118.95 117.84 1j3g s ARG 107 Ca 0.56 -0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.58 1j3g s ARG 107 Cb -0.16 -1.37 0.16 0.00 0.52 0.00 0.00 34.95 34.10 1j3g s ARG 107 CO 0.21 -0.35 1.79 0.00 0.02 0.00 0.00 175.30 176.97 1j3g s ASN 109 N -6.31 0.47 -1.24 0.00 0.02 -1.25 -4.18 114.94 102.45 1j3g s ASN 109 Ca -0.12 -1.28 -0.11 0.00 -1.02 0.00 0.00 52.86 50.32 1j3g s ASN 109 Cb 0.16 0.62 0.17 0.00 0.02 0.00 0.00 41.25 42.22 1j3g s ASN 109 CO 0.83 -1.23 1.65 -0.67 0.02 0.00 0.00 177.10 177.71 1j3g n ASP 110 N -0.97 5.19 -1.47 -1.22 2.03 -1.26 -4.78 116.55 114.07 1j3g n ASP 110 Ca -0.00 -3.05 -0.02 0.00 0.52 0.00 0.00 54.79 52.23 1j3g n ASP 110 Cb 0.62 -1.52 0.01 0.00 -0.72 0.00 0.00 41.12 39.51 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 4.67 0.24 -4.38 -0.67 1.16 -1.26 -4.63 117.46 112.59 1j3g n PHE 111 Ca 0.38 -1.04 -0.22 0.00 -1.87 0.00 0.00 57.45 54.70 1j3g n PHE 111 Cb 0.39 -0.52 -0.11 0.00 -1.61 0.00 0.00 39.48 37.64 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 1.54 2.97 -0.87 5.98 0.01 -1.26 -4.20 113.70 117.86 1j3g s SER 112 Ca 0.05 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1j3g s SER 112 Cb 0.04 -0.20 0.34 0.00 0.21 0.00 0.00 66.02 66.41 1j3g s SER 112 CO 0.00 -0.03 1.68 0.00 0.41 0.00 0.00 173.24 175.31 1j3g n ILE 113 N -0.08 4.79 0.00 1.44 0.00 -1.26 -4.86 119.36 119.39 1j3g n ILE 113 Ca -0.10 -5.46 0.00 0.00 0.00 0.00 0.00 62.75 57.19 1j3g n ILE 113 Cb 0.58 -1.43 0.00 0.00 0.00 0.00 0.00 39.64 38.79 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 -0.23 0.40 3.32 4.50 0.00 -1.22 -4.83 105.19 107.13 1j3g n GLY 114 Ca 0.46 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.09 -0.09 -0.61 -1.09 -1.26 -4.30 121.20 113.94 1j3g s ILE 115 Ca 0.00 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.38 1j3g s ILE 115 Cb 0.00 -1.45 0.04 0.00 -1.58 0.00 0.00 42.46 39.47 1j3g s ILE 115 CO 0.00 -0.39 0.19 -0.70 -1.23 0.00 0.00 174.94 172.81 1j3g s GLU 116 N -3.87 0.13 0.32 2.79 2.12 -0.33 -3.53 118.70 116.33 1j3g s GLU 116 Ca 0.08 0.47 -0.07 0.00 0.36 0.00 0.00 54.97 55.81 1j3g s GLU 116 Cb 0.03 -0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.20 1j3g s GLU 116 CO -0.07 -0.18 0.62 -0.51 -0.54 0.00 0.00 175.26 174.57 1j3g s LEU 117 N 1.37 4.00 -0.03 2.70 1.02 -1.24 -2.38 118.68 124.13 1j3g s LEU 117 Ca -0.08 0.85 0.06 0.00 0.02 0.00 0.00 54.13 54.98 1j3g s LEU 117 Cb -0.11 -3.68 -0.01 0.00 0.02 0.00 0.00 46.19 42.40 1j3g s LEU 117 CO -0.07 -0.24 -0.20 -0.70 0.02 0.00 0.00 176.35 175.15 1j3g s GLU 118 N -3.58 1.78 0.07 1.70 2.12 -0.03 -2.87 118.70 117.89 1j3g s GLU 118 Ca 0.46 -0.73 -0.27 0.00 0.36 0.00 0.00 54.97 54.80 1j3g s GLU 118 Cb -0.11 -1.66 0.09 0.00 0.26 0.00 0.00 34.13 32.72 1j3g s GLU 118 CO 0.30 0.40 1.16 0.20 -0.54 0.00 0.00 175.26 176.77 1j3g s GLY 119 N -0.35 -0.19 -0.33 -1.50 0.00 -0.43 -2.57 107.32 101.94 1j3g s GLY 119 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 1j3g s GLY 119 CO 0.00 1.76 0.14 -0.51 0.00 0.00 0.00 173.10 174.49 1j3g s THR 120 N -2.46 0.71 -1.25 0.90 -4.23 -1.26 -4.37 115.64 103.68 1j3g s THR 120 Ca 0.19 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 1j3g s THR 120 Cb 0.01 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.32 1j3g s THR 120 CO 0.00 -0.76 0.62 -0.67 -0.54 0.00 0.00 174.62 173.27 1j3g n ASP 121 N 4.60 -3.34 -3.66 3.99 2.03 -1.26 -2.23 116.55 116.69 1j3g n ASP 121 Ca 0.01 -1.10 -0.27 0.00 0.52 0.00 0.00 54.79 53.95 1j3g n ASP 121 Cb 0.40 -2.78 0.04 0.00 -0.72 0.00 0.00 41.12 38.06 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 -4.48 -2.13 -1.97 5.18 -2.24 -1.26 -4.93 114.28 102.46 1j3g n THR 122 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1j3g n THR 122 Cb 0.62 -3.09 -0.02 0.00 -2.10 0.00 0.00 70.33 65.73 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -7.13 4.38 -0.10 3.22 0.20 -0.95 -4.70 118.68 113.60 1j3g s LEU 123 Ca 0.57 2.69 -0.09 0.00 0.69 0.00 0.00 54.13 57.99 1j3g s LEU 123 Cb -0.28 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 41.83 1j3g s LEU 123 CO 0.71 -0.75 0.40 0.00 -0.29 0.00 0.00 176.35 176.41 1j3g n ALA 124 N 2.67 -0.07 0.83 5.97 0.00 -1.26 -4.80 120.51 123.85 1j3g n ALA 124 Ca 0.08 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1j3g n ALA 124 Cb 0.40 -0.42 0.53 0.00 0.00 0.00 0.00 19.45 19.96 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 1.30 0.31 -2.91 0.00 4.01 -1.26 -4.63 117.16 113.97 1j3g n TYR 125 Ca 0.10 0.09 -0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1j3g n TYR 125 Cb -0.01 -0.65 0.01 0.00 -0.31 0.00 0.00 39.34 38.38 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 -1.76-10.78 -0.09 -0.72 -2.24 -1.20 -4.49 114.28 93.00 1j3g n THR 126 Ca 0.06 0.64 0.07 0.00 -2.27 0.00 0.00 64.05 62.56 1j3g n THR 126 Cb 0.35 -7.16 0.12 0.00 -2.10 0.00 0.00 70.33 61.54 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 -0.62 0.02 -0.36 3.42 9.92 -1.26 -0.21 116.55 127.46 1j3g n ASP 127 Ca 0.09 0.18 0.29 0.00 -0.53 0.00 0.00 54.79 54.83 1j3g n ASP 127 Cb 0.47 -0.09 0.55 0.00 -0.64 0.00 0.00 41.12 41.42 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 0.20 2.26 -0.31 2.24 0.00 -1.97 0.15 119.26 121.83 1j3g h ALA 128 Ca 0.14 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1j3g h ALA 128 Cb 0.51 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1j3g h ALA 128 CO -0.04 -0.90 -0.07 1.96 0.00 0.00 0.00 179.25 180.20 1j3g h GLN 129 N 0.19 0.00 -0.97 0.00 4.20 -0.81 0.09 115.11 117.81 1j3g h GLN 129 Ca 0.77 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.56 1j3g h GLN 129 Cb 2.05 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.76 1j3g h GLN 129 CO -0.56 0.00 0.62 1.88 -0.67 0.00 0.00 178.83 180.10 1j3g h TYR 130 N 0.00 1.13 0.60 2.96 0.05 -0.92 0.25 116.97 121.05 1j3g h TYR 130 Ca 0.15 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 1j3g h TYR 130 Cb 0.23 -0.37 0.01 0.00 1.01 0.00 0.00 36.73 37.61 1j3g h TYR 130 CO -0.29 0.54 -0.29 1.96 -1.05 0.00 0.00 178.16 179.03 1j3g h GLN 131 N 1.08 -0.77 -0.48 4.88 4.20 -1.15 -1.65 115.11 121.21 1j3g h GLN 131 Ca 0.44 0.05 -0.10 0.00 0.06 0.00 0.00 58.65 59.10 1j3g h GLN 131 Cb 0.26 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1j3g h GLN 131 CO -0.20 -0.47 -0.09 1.96 -0.67 0.00 0.00 178.83 179.37 1j3g h GLN 132 N -1.09 0.86 -0.28 1.46 1.08 -0.87 -0.30 115.11 115.97 1j3g h GLN 132 Ca -0.08 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1j3g h GLN 132 Cb 0.67 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1j3g h GLN 132 CO 0.13 0.91 0.18 1.25 -0.95 0.00 0.00 178.83 180.36 1j3g h LEU 133 N 0.78 0.34 -1.22 1.46 7.12 -0.57 0.11 115.31 123.32 1j3g h LEU 133 Ca 0.13 -0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.11 1j3g h LEU 133 Cb 0.59 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.59 1j3g h LEU 133 CO 0.04 0.28 0.53 0.00 -0.13 0.00 0.00 178.44 179.15 1j3g h ALA 134 N 1.08 1.44 0.36 1.25 0.00 -1.00 0.11 119.26 122.50 1j3g h ALA 134 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1j3g h ALA 134 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1j3g h ALA 134 CO -0.02 0.51 -0.17 0.00 0.00 0.00 0.00 179.25 179.57 1j3g h ALA 135 N 1.51 -0.48 -0.92 0.00 0.00 -0.20 0.71 119.26 119.88 1j3g h ALA 135 Ca 0.29 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1j3g h ALA 135 Cb -0.11 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1j3g h ALA 135 CO -0.07 -0.74 0.59 0.28 0.00 0.00 0.00 179.25 179.31 1j3g h VAL 136 N -0.54 1.11 -0.47 0.00 2.07 -0.57 -1.69 116.25 116.17 1j3g h VAL 136 Ca -0.05 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1j3g h VAL 136 Cb 0.41 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1j3g h VAL 136 CO 0.08 0.20 0.22 0.74 0.02 0.00 0.00 177.57 178.83 1j3g h THR 137 N 1.11 0.94 -0.22 2.57 2.02 -0.44 0.12 112.91 119.01 1j3g h THR 137 Ca 0.38 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.42 1j3g h THR 137 Cb 0.08 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1j3g h THR 137 CO -0.14 0.08 0.11 0.78 0.37 0.00 0.00 175.52 176.72 1j3g h ASN 138 N 0.44 0.17 -0.13 4.18 -0.26 -0.15 -0.33 115.58 119.50 1j3g h ASN 138 Ca 0.21 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1j3g h ASN 138 Cb 0.14 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1j3g h ASN 138 CO -0.16 0.13 0.08 0.00 -1.06 0.00 0.00 177.43 176.42 1j3g h ALA 139 N 1.10 0.17 -0.46 -0.83 0.00 -0.87 -2.14 119.26 116.23 1j3g h ALA 139 Ca 0.09 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 139 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1j3g h ALA 139 CO -0.05 -0.32 0.17 -0.07 0.00 0.00 0.00 179.25 178.98 1j3g h LEU 140 N 0.14 0.18 -0.80 0.00 3.38 -0.58 -2.34 115.31 115.30 1j3g h LEU 140 Ca 0.05 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1j3g h LEU 140 Cb 0.03 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1j3g h LEU 140 CO -0.01 0.13 0.51 0.40 0.09 0.00 0.00 178.44 179.57 1j3g h ILE 141 N 0.34 1.14 0.00 1.22 2.04 -0.83 0.20 117.51 121.62 1j3g h ILE 141 Ca 0.22 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1j3g h ILE 141 Cb 0.21 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1j3g h ILE 141 CO -0.22 0.18 0.00 0.41 0.00 0.00 0.00 178.15 178.53 1j3g n THR 142 N -4.58 1.02 -0.08 -0.27 -1.04 -0.83 -3.34 114.28 105.16 1j3g n THR 142 Ca 0.09 0.44 -0.15 0.00 -2.04 0.00 0.00 64.05 62.39 1j3g n THR 142 Cb 0.08 -1.38 -0.05 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 -2.12 0.39 -3.94 -2.82 5.12 -0.44 -4.94 116.66 107.91 1j3g n ARG 143 Ca 0.01 0.17 -0.30 0.00 -1.93 0.00 0.00 57.85 55.80 1j3g n ARG 143 Cb 0.14 -1.16 -0.16 0.00 -1.16 0.00 0.00 32.46 30.11 1j3g n ARG 143 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1j3g s TYR 144 N -2.46 2.19 -0.44 -1.55 1.51 0.59 -5.11 117.35 112.08 1j3g s TYR 144 Ca -0.24 -1.49 -0.16 0.00 -1.01 0.00 0.00 57.07 54.17 1j3g s TYR 144 Cb 0.07 -1.52 0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1j3g s TYR 144 CO 0.32 -0.72 0.37 -1.25 -1.11 0.00 0.00 175.55 173.17 1j3g s PRO 145 N 1.47 3.00 0.00 -1.71 0.04 -1.21 -4.12 135.00 132.46 1j3g s PRO 145 Ca -0.02 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 59.92 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 -0.90 0.00 0.00 0.04 0.00 0.00 177.00 176.07 1j3g n ALA 146 N 5.30 0.95 -0.38 8.56 0.00 -1.26 -4.94 120.51 128.73 1j3g n ALA 146 Ca -0.11 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.65 1j3g n ALA 146 Cb 0.46 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.54 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 0.34 -0.23 0.00 2.04 -1.77 -0.28 117.51 117.61 1j3g h ILE 147 Ca 0.00 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1j3g h ILE 147 Cb 0.00 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1j3g h ILE 147 CO 0.00 0.03 0.41 0.00 0.00 0.00 0.00 178.15 178.59 1j3g h ALA 148 N 1.52 1.78 0.00 1.87 0.00 -1.91 -1.85 119.26 120.67 1j3g h ALA 148 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1j3g h ALA 148 Cb 2.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1j3g h ALA 148 CO -0.24 -0.52 -0.36 0.09 0.00 0.00 0.00 179.25 178.21 1j3g n ASN 149 N -3.34 0.32 -3.44 0.00 3.02 -0.16 -4.66 115.26 107.01 1j3g n ASN 149 Ca 0.03 -1.99 -0.28 0.00 -0.03 0.00 0.00 54.58 52.31 1j3g n ASN 149 Cb 0.52 -0.20 -0.11 0.00 -0.61 0.00 0.00 39.78 39.39 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1j3g s ASN 150 N -1.09 2.09 -0.22 6.41 -0.87 -0.69 -4.98 114.94 115.59 1j3g s ASN 150 Ca 0.04 -2.78 0.02 0.00 -1.57 0.00 0.00 52.86 48.56 1j3g s ASN 150 Cb 0.03 -0.47 0.04 0.00 -0.02 0.00 0.00 41.25 40.83 1j3g s ASN 150 CO 0.00 -0.22 -0.14 -0.04 -2.57 0.00 0.00 177.10 174.14 1j3g s MET 151 N 0.36 2.46 0.00 -0.60 -1.94 -1.26 -3.30 119.30 115.02 1j3g s MET 151 Ca 0.27 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1j3g s MET 151 Cb -0.06 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.07 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 4.54 0.00 0.00 2.05 5.66 -0.86 -5.03 114.28 120.64 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 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 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 3.62 0.02 1.09 0.00 -1.26 -0.53 105.19 108.14 1j3g n GLY 153 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.41 1.61 -0.00 -0.47 -4.43 115.22 112.34 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 -0.37 -0.10 0.00 -0.00 0.00 0.00 29.99 29.51 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 -1.67 6.26 0.00 0.00 5.15 -1.02 -4.44 115.26 119.54 1j3g n ASN 156 Ca 0.00 -2.95 0.04 0.00 -0.60 0.00 0.00 54.58 51.08 1j3g n ASN 156 Cb 0.32 -1.08 0.21 0.00 -0.53 0.00 0.00 39.78 38.69 1j3g n ASN 156 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1j3g n ILE 157 N 0.60 1.20 0.07 -1.44 -0.00 -1.26 -4.52 119.36 114.03 1j3g n ILE 157 Ca 0.26 0.30 0.00 0.00 -0.00 0.00 0.00 62.75 63.31 1j3g n ILE 157 Cb 0.57 -1.14 0.00 0.00 -0.00 0.00 0.00 39.64 39.06 1j3g n ILE 157 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1j3g n ALA 158 N -1.44 0.00 -2.58 -1.28 0.00 -1.26 -4.56 120.51 109.40 1j3g n ALA 158 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1j3g n ALA 158 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -2.00 3.73 0.59 0.00 0.04 -1.26 -4.97 135.00 131.12 1j3g s PRO 159 Ca 0.00 0.08 0.29 0.00 0.04 0.00 0.00 61.00 61.41 1j3g s PRO 159 Cb 0.00 -3.79 1.76 0.00 0.04 0.00 0.00 34.50 32.51 1j3g s PRO 159 CO 0.00 -0.68 2.22 1.49 0.04 0.00 0.00 177.00 180.07 1j3g h GLU 160 N 8.39 0.00 0.00 4.56 4.81 -1.91 -2.66 114.58 127.77 1j3g h GLU 160 Ca -0.27 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1j3g h GLU 160 Cb 1.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1j3g h GLU 160 CO 0.82 0.00 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.00 1j3g h ARG 161 N 0.00 0.00 -6.18 1.92 9.65 -1.95 -3.40 114.38 114.42 1j3g h ARG 161 Ca 0.02 0.00 -0.63 0.00 -1.10 0.00 0.00 59.98 58.28 1j3g h ARG 161 Cb 0.12 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 28.41 1j3g h ARG 161 CO -0.00 0.01 -0.86 0.15 2.80 0.00 0.00 179.97 182.06 1j3g s LYS 162 N -4.00 1.74 0.00 0.20 1.02 -1.00 -4.90 119.74 112.80 1j3g s LYS 162 Ca -0.03 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1j3g s LYS 162 Cb 0.12 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 1j3g s LYS 162 CO 0.46 0.46 0.00 2.41 -0.92 0.00 0.00 175.35 177.77 1j3g n THR 163 N 2.42 0.00 -3.92 2.17 -1.04 -1.26 -2.43 114.28 110.22 1j3g n THR 163 Ca -0.16 -0.03 0.02 0.00 -2.04 0.00 0.00 64.05 61.84 1j3g n THR 163 Cb 0.52 0.39 0.01 0.00 -1.82 0.00 0.00 70.33 69.44 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 -0.33 -0.00 -1.03 8.00 2.15 -1.26 -1.03 116.67 123.16 1j3g s ASP 164 Ca 0.00 -0.20 -0.23 0.00 0.43 0.00 0.00 52.55 52.55 1j3g s ASP 164 Cb 0.00 0.15 -0.02 0.00 -0.30 0.00 0.00 42.92 42.75 1j3g s ASP 164 CO 0.00 -0.30 1.81 -2.16 -0.17 0.00 0.00 175.17 174.36 1j3g s PRO 165 N -2.08 2.91 0.00 4.34 0.04 -1.26 -3.90 135.00 135.05 1j3g s PRO 165 Ca 0.27 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1j3g s PRO 165 Cb 0.00 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1j3g s PRO 165 CO -0.01 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.30 1j3g n GLY 166 N 6.49 0.78 0.00 0.56 0.00 -1.26 -4.99 105.19 106.77 1j3g n GLY 166 Ca 0.40 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.74 1.61 -0.04 -1.25 -4.29 135.00 127.28 1j3g n PRO 167 Ca 0.00 0.27 -0.25 0.00 -0.04 0.00 0.00 63.50 63.48 1j3g n PRO 167 Cb 0.00 -0.87 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.30 -3.80 -0.46 3.54 2.88 -1.26 -4.66 113.62 108.55 1j3g n SER 168 Ca 0.00 -0.73 0.08 0.00 -1.33 0.00 0.00 58.87 56.89 1j3g n SER 168 Cb 0.00 -4.30 0.18 0.00 -0.75 0.00 0.00 64.21 59.34 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 -4.58 0.44 -3.69 0.66 7.35 -1.26 -5.03 117.46 111.35 1j3g n PHE 169 Ca -0.10 -0.84 -0.22 0.00 -0.76 0.00 0.00 57.45 55.53 1j3g n PHE 169 Cb 0.59 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.23 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 -0.75 -5.31 -0.05 -2.13 -0.08 -1.26 -4.62 116.55 102.36 1j3g n ASP 170 Ca 0.16 -0.84 0.13 0.00 -1.51 0.00 0.00 54.79 52.72 1j3g n ASP 170 Cb 0.68 -2.32 0.54 0.00 2.34 0.00 0.00 41.12 42.36 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 -0.34 0.34 0.67 -0.67 4.06 -1.97 0.38 115.95 118.42 1j3g h TRP 171 Ca -0.54 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.39 1j3g h TRP 171 Cb 1.34 -0.11 0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1j3g h TRP 171 CO 0.24 0.16 -0.32 0.00 -3.56 0.00 0.00 178.44 174.96 1j3g h ALA 172 N 1.72 -0.92 -0.79 1.49 0.00 -1.99 -1.78 119.26 117.00 1j3g h ALA 172 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j3g h ALA 172 Cb 0.57 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1j3g h ALA 172 CO -0.06 -0.85 0.48 0.00 0.00 0.00 0.00 179.25 178.82 1j3g h ARG 173 N -1.22 1.07 0.75 0.00 3.08 -1.79 -1.80 114.38 114.48 1j3g h ARG 173 Ca -0.09 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1j3g h ARG 173 Cb 0.69 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1j3g h ARG 173 CO 0.15 0.75 -0.37 0.35 -1.07 0.00 0.00 179.97 179.78 1j3g h PHE 174 N 1.08 -0.96 -0.95 3.04 3.57 -1.04 -1.08 116.94 120.60 1j3g h PHE 174 Ca 0.28 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1j3g h PHE 174 Cb -0.05 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.94 1j3g h PHE 174 CO -0.01 -0.59 0.60 -0.09 -2.23 0.00 0.00 178.31 175.99 1j3g h ARG 175 N -1.02 1.02 -0.26 1.11 1.12 -1.16 -0.55 114.38 114.62 1j3g h ARG 175 Ca -0.10 -0.06 -0.07 0.00 -1.11 0.00 0.00 59.98 58.63 1j3g h ARG 175 Cb 0.79 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 1j3g h ARG 175 CO 0.16 0.67 -0.16 0.00 -3.11 0.00 0.00 179.97 177.53 1j3g h ALA 176 N 1.46 1.24 -0.19 2.80 0.00 -1.23 -3.23 119.26 120.11 1j3g h ALA 176 Ca 0.43 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1j3g h ALA 176 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j3g h ALA 176 CO -0.20 0.49 -0.35 -0.07 0.00 0.00 0.00 179.25 179.12 1j3g h LEU 177 N 0.41 0.64-10.24 0.00 3.38 0.20 -3.47 115.31 106.23 1j3g h LEU 177 Ca 0.07 -0.54 -0.46 0.00 0.09 0.00 0.00 57.88 57.04 1j3g h LEU 177 Cb 0.53 -0.18 0.19 0.00 0.09 0.00 0.00 40.66 41.28 1j3g h LEU 177 CO 0.03 1.06 0.12 -0.69 0.09 0.00 0.00 178.44 179.06 1j3g s VAL 178 N -4.08 2.18 0.05 1.22 1.01 -0.46 -4.93 120.40 115.39 1j3g s VAL 178 Ca -0.13 0.06 -0.38 0.00 0.00 0.00 0.00 61.98 61.53 1j3g s VAL 178 Cb 0.07 -2.25 -0.19 0.00 0.00 0.00 0.00 36.38 34.01 1j3g s VAL 178 CO 0.82 -0.08 1.10 0.41 0.00 0.00 0.00 175.10 177.35 1j3g n THR 179 N -4.49 0.22 -0.51 3.92 -1.04 -1.26 -4.81 114.28 106.30 1j3g n THR 179 Ca 0.06 -0.05 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j3g n THR 179 Cb 0.54 -0.25 -0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 1.71 1.03 -3.25 -2.82 -0.04 -1.26 -4.72 135.00 125.65 1j3g n PRO 180 Ca 0.19 -0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.41 1j3g n PRO 180 Cb 0.13 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.48 -2.69 -2.75 3.54 2.88 -1.26 -4.81 113.62 110.01 1j3g n SER 181 Ca 0.01 -0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.21 1j3g n SER 181 Cb 0.51 -2.30 0.07 0.00 -0.75 0.00 0.00 64.21 61.74 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 -2.06 -2.52 -3.39 -3.46 2.88 -1.26 -5.09 113.62 98.71 1j3g n SER 182 Ca -0.00 -3.52 0.02 0.00 -1.33 0.00 0.00 58.87 54.03 1j3g n SER 182 Cb 0.52 1.84 -0.03 0.00 -0.75 0.00 0.00 64.21 65.79 1j3g n SER 182 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1j3g s HIS 183 N 0.40 -1.16 -0.14 0.66 5.04 -1.26 -5.15 115.29 113.69 1j3g s HIS 183 Ca 0.27 1.66 -0.10 0.00 -1.54 0.00 0.00 55.06 55.35 1j3g s HIS 183 Cb 0.26 0.57 0.05 0.00 0.04 0.00 0.00 32.58 33.50 1j3g s HIS 183 CO -0.14 -0.60 0.36 0.21 -2.34 0.00 0.00 174.74 172.23 1j3g s LYS 184 N 2.78 0.37 0.29 2.88 2.20 -1.26 -5.04 119.74 121.96 1j3g s LYS 184 Ca 0.03 0.60 0.10 0.00 -0.36 0.00 0.00 55.97 56.34 1j3g s LYS 184 Cb -0.11 0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 36.23 1j3g s LYS 184 CO -0.18 -0.11 -0.03 -1.83 -0.36 0.00 0.00 175.35 172.84 1j3g s GLU 185 N 0.80 2.14 -0.86 4.03 -1.05 -1.26 -4.82 118.70 117.68 1j3g s GLU 185 Ca -0.05 -1.55 -0.03 0.00 -0.15 0.00 0.00 54.97 53.19 1j3g s GLU 185 Cb -0.06 -2.04 -0.02 0.00 -0.44 0.00 0.00 34.13 31.57 1j3g s GLU 185 CO -0.06 0.30 0.77 -0.12 0.95 0.00 0.00 175.26 177.10 1j3g n MET 186 N -0.86 -1.61 -0.27 -4.83 0.00 -1.26 -5.13 117.12 103.16 1j3g n MET 186 Ca -0.06 1.21 0.00 0.00 0.00 0.00 0.00 57.70 58.85 1j3g n MET 186 Cb 0.60 -5.51 0.00 0.00 0.00 0.00 0.00 33.22 28.31 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38