#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 1.39 -0.20 -0.89 2.96 -1.26 -4.95 118.68 115.72 1j3g s LEU 2 Ca 0.00 -1.57 -0.04 0.00 -0.22 0.00 0.00 54.13 52.29 1j3g s LEU 2 Cb 0.00 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.41 1j3g s LEU 2 CO 0.00 -1.05 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.20 1j3g s LEU 3 N -3.27 3.11 -0.08 -0.68 1.43 -1.26 -1.35 118.68 116.57 1j3g s LEU 3 Ca 0.38 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1j3g s LEU 3 Cb 0.03 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1j3g s LEU 3 CO 0.21 0.04 -0.11 -0.62 0.23 0.00 0.00 176.35 176.11 1j3g s ASP 4 N 1.11 1.91 -1.41 2.29 2.15 0.26 -4.66 116.67 118.31 1j3g s ASP 4 Ca 0.02 -0.30 -0.04 0.00 0.43 0.00 0.00 52.55 52.66 1j3g s ASP 4 Cb -0.14 -0.83 0.02 0.00 -0.30 0.00 0.00 42.92 41.66 1j3g s ASP 4 CO 0.01 -0.02 0.35 -0.62 -0.17 0.00 0.00 175.17 174.72 1j3g n GLU 5 N 4.21 -3.42 -1.14 4.34 1.02 -1.26 -0.74 120.64 123.65 1j3g n GLU 5 Ca -0.19 0.74 -0.05 0.00 -0.02 0.00 0.00 57.16 57.64 1j3g n GLU 5 Cb 0.51 -5.48 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3g n GLY 6 N -1.20 0.51 3.87 0.62 0.00 -1.26 -4.99 105.19 102.74 1j3g n GLY 6 Ca -0.12 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.52 2.59 0.26 1.61 0.52 0.08 -4.61 118.94 117.88 1j3g s TRP 7 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 56.10 55.29 1j3g s TRP 7 Cb 0.00 -2.13 -0.09 0.00 -1.15 0.00 0.00 33.47 30.09 1j3g s TRP 7 CO 0.00 -0.13 1.03 -1.17 0.02 0.00 0.00 176.95 176.70 1j3g s LEU 8 N -4.13 4.59 0.80 2.99 2.96 -1.26 -0.58 118.68 124.05 1j3g s LEU 8 Ca 0.47 2.13 -0.10 0.00 -0.22 0.00 0.00 54.13 56.41 1j3g s LEU 8 Cb -0.02 -3.62 0.10 0.00 0.50 0.00 0.00 46.19 43.15 1j3g s LEU 8 CO 0.27 -0.02 1.13 0.00 -1.32 0.00 0.00 176.35 176.42 1j3g s ALA 9 N -1.14 2.84 -1.13 5.97 0.00 -0.46 -4.54 121.76 123.31 1j3g s ALA 9 Ca 0.43 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 1j3g s ALA 9 Cb -0.29 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1j3g s ALA 9 CO 0.37 -1.69 0.47 0.39 0.00 0.00 0.00 175.76 175.30 1j3g n GLU 10 N -3.23 -0.43 -3.47 0.00 4.71 -1.26 -4.80 120.64 112.15 1j3g n GLU 10 Ca 0.10 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.12 1j3g n GLU 10 Cb 0.60 -2.25 -0.03 0.00 -1.01 0.00 0.00 31.44 28.75 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j3g s ALA 11 N -3.82 -1.71 -0.20 0.62 0.00 -1.26 -4.97 121.76 110.42 1j3g s ALA 11 Ca 0.34 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 1j3g s ALA 11 Cb -0.19 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1j3g s ALA 11 CO 0.86 -0.62 0.68 0.50 0.00 0.00 0.00 175.76 177.18 1j3g s ARG 12 N -2.79 4.22 -0.18 0.00 3.52 -0.53 -5.00 118.95 118.19 1j3g s ARG 12 Ca -0.01 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.18 1j3g s ARG 12 Cb -0.01 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1j3g s ARG 12 CO -0.05 -0.28 0.21 -0.98 -0.81 0.00 0.00 175.30 173.38 1j3g s ARG 13 N 2.05 4.22 -0.34 5.12 1.70 -1.26 -1.61 118.95 128.83 1j3g s ARG 13 Ca 0.31 -0.07 -0.01 0.00 -0.47 0.00 0.00 55.73 55.49 1j3g s ARG 13 Cb -0.16 -3.42 0.13 0.00 -0.57 0.00 0.00 34.95 30.93 1j3g s ARG 13 CO 0.10 0.27 0.19 0.08 -1.08 0.00 0.00 175.30 174.86 1j3g s VAL 14 N 0.42 0.10 0.73 4.99 1.01 -0.38 -4.94 120.40 122.33 1j3g s VAL 14 Ca 0.12 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 60.51 1j3g s VAL 14 Cb -0.12 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1j3g s VAL 14 CO 0.01 -0.93 1.07 -2.16 0.00 0.00 0.00 175.10 173.09 1j3g s PRO 15 N 1.32 2.64 -0.30 2.72 0.04 -1.26 -4.07 135.00 136.09 1j3g s PRO 15 Ca 0.16 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.15 1j3g s PRO 15 Cb -0.21 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.54 1j3g s PRO 15 CO -0.08 -1.32 0.62 0.45 0.04 0.00 0.00 177.00 176.70 1j3g s SER 16 N -3.68 -1.30 -1.48 6.66 0.15 -1.26 -5.00 113.70 107.79 1j3g s SER 16 Ca 0.59 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 58.26 1j3g s SER 16 Cb -0.15 2.21 -0.07 0.00 -1.71 0.00 0.00 66.02 66.30 1j3g s SER 16 CO 0.55 -0.25 2.74 -0.81 1.20 0.00 0.00 173.24 176.67 1j3g n PRO 17 N 5.44 3.32 -2.58 5.44 -0.04 -1.26 -4.18 135.00 141.13 1j3g n PRO 17 Ca -0.05 -2.11 -0.10 0.00 -0.04 0.00 0.00 63.50 61.20 1j3g n PRO 17 Cb 0.50 -2.79 0.03 0.00 -0.04 0.00 0.00 33.50 31.20 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 4.00 1.79 -1.42 0.54 -0.00 -1.26 -5.11 115.22 113.77 1j3g n HIS 18 Ca 0.70 -2.40 -0.30 0.00 0.46 0.00 0.00 57.72 56.18 1j3g n HIS 18 Cb 0.23 -0.27 0.22 0.00 -0.12 0.00 0.00 29.99 30.06 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 0.81 0.54 1.57 1.51 -1.26 -4.50 117.35 112.44 1j3g s TYR 19 Ca 0.34 0.39 0.05 0.00 -1.01 0.00 0.00 57.07 56.84 1j3g s TYR 19 Cb 0.38 -3.74 0.03 0.00 -0.11 0.00 0.00 41.96 38.52 1j3g s TYR 19 CO -0.02 -3.46 0.36 -0.51 -1.11 0.00 0.00 175.55 170.81 1j3g s ASP 20 N -4.32 4.57 -0.07 2.29 1.01 -1.21 -4.91 116.67 114.02 1j3g s ASP 20 Ca 0.73 -1.31 -0.02 0.00 0.71 0.00 0.00 52.55 52.66 1j3g s ASP 20 Cb -0.07 0.46 0.03 0.00 1.01 0.00 0.00 42.92 44.36 1j3g s ASP 20 CO 0.55 -1.09 0.04 0.00 0.21 0.00 0.00 175.17 174.88 1j3g s ARG 22 N 2.08 1.62 1.18 0.00 1.81 -1.26 -5.10 118.95 119.28 1j3g s ARG 22 Ca 0.04 -1.86 -0.20 0.00 -1.72 0.00 0.00 55.73 51.99 1j3g s ARG 22 Cb -0.13 -1.08 0.30 0.00 -0.45 0.00 0.00 34.95 33.59 1j3g s ARG 22 CO -0.05 -0.06 0.98 -0.35 -0.68 0.00 0.00 175.30 175.14 1j3g n PRO 23 N -0.66 -3.28 -2.46 3.54 -0.04 -1.26 -4.99 135.00 125.85 1j3g n PRO 23 Ca -0.04 -1.58 -0.38 0.00 -0.04 0.00 0.00 63.50 61.46 1j3g n PRO 23 Cb 0.65 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.04 6.90 0.21 3.54 1.11 -1.26 -5.02 116.67 118.10 1j3g s ASP 24 Ca 0.65 2.19 -0.12 0.00 0.18 0.00 0.00 52.55 55.45 1j3g s ASP 24 Cb -0.07 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.31 1j3g s ASP 24 CO 0.51 -0.40 0.42 -1.81 1.18 0.00 0.00 175.17 175.06 1j3g s ASP 25 N -1.21 -0.08 0.69 0.27 1.01 -1.26 -5.17 116.67 110.92 1j3g s ASP 25 Ca 0.53 -0.82 -0.11 0.00 0.71 0.00 0.00 52.55 52.85 1j3g s ASP 25 Cb -0.28 0.53 0.00 0.00 1.01 0.00 0.00 42.92 44.19 1j3g s ASP 25 CO 0.35 -1.04 1.08 -0.70 0.21 0.00 0.00 175.17 175.08 1j3g s GLU 26 N -3.97 3.00 -0.25 8.23 2.56 -1.26 -4.91 118.70 122.10 1j3g s GLU 26 Ca 0.18 0.54 -0.42 0.00 0.00 0.00 0.00 54.97 55.27 1j3g s GLU 26 Cb 0.01 -2.03 -0.18 0.00 2.00 0.00 0.00 34.13 33.92 1j3g s GLU 26 CO 0.04 -0.95 1.49 -1.71 -0.56 0.00 0.00 175.26 173.57 1j3g n ASN 27 N -2.97 1.34 -4.75 -1.70 5.15 -1.26 -4.85 115.26 106.23 1j3g n ASN 27 Ca 0.07 1.14 -0.41 0.00 -0.60 0.00 0.00 54.58 54.78 1j3g n ASN 27 Cb 0.56 -1.01 -0.02 0.00 -0.53 0.00 0.00 39.78 38.78 1j3g n ASN 27 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1j3g s PRO 28 N 2.16 4.29 0.00 1.20 0.04 -1.26 -4.95 135.00 136.48 1j3g s PRO 28 Ca 0.97 2.26 0.00 0.00 0.04 0.00 0.00 61.00 64.27 1j3g s PRO 28 Cb -1.25 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1j3g s PRO 28 CO 0.67 -0.38 0.00 0.45 0.04 0.00 0.00 177.00 177.78 1j3g n SER 29 N 2.27 0.00 -3.66 6.66 2.88 -1.26 -4.74 113.62 115.77 1j3g n SER 29 Ca 0.06 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.53 1j3g n SER 29 Cb 0.41 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.00 -0.65 -0.19 2.46 1.98 -1.26 -4.27 118.68 116.74 1j3g s LEU 30 Ca 0.00 1.20 -0.16 0.00 -2.89 0.00 0.00 54.13 52.28 1j3g s LEU 30 Cb 0.00 1.77 -0.04 0.00 0.66 0.00 0.00 46.19 48.58 1j3g s LEU 30 CO 0.00 -0.22 0.40 -0.22 -1.89 0.00 0.00 176.35 174.42 1j3g s LEU 31 N 2.10 4.17 -0.03 -0.68 2.96 -1.07 -3.33 118.68 122.80 1j3g s LEU 31 Ca -0.07 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1j3g s LEU 31 Cb -0.09 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1j3g s LEU 31 CO -0.16 -0.06 0.13 -0.69 -1.32 0.00 0.00 176.35 174.25 1j3g s VAL 32 N 1.20 5.16 -0.14 1.68 1.01 -1.19 -2.06 120.40 126.06 1j3g s VAL 32 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1j3g s VAL 32 Cb -0.15 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.93 1j3g s VAL 32 CO 0.08 0.41 0.03 -0.69 0.00 0.00 0.00 175.10 174.93 1j3g s VAL 33 N -1.20 0.38 -0.24 2.92 1.01 0.13 -4.19 120.40 119.22 1j3g s VAL 33 Ca 0.23 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1j3g s VAL 33 Cb -0.12 -0.78 0.12 0.00 0.00 0.00 0.00 36.38 35.60 1j3g s VAL 33 CO 0.13 -0.04 0.99 -1.38 0.00 0.00 0.00 175.10 174.80 1j3g s HIS 34 N 1.94 -0.47 -0.40 5.22 -3.43 -1.26 -3.76 115.29 113.12 1j3g s HIS 34 Ca 0.02 1.06 -0.24 0.00 -0.80 0.00 0.00 55.06 55.10 1j3g s HIS 34 Cb -0.15 0.38 0.02 0.00 -1.43 0.00 0.00 32.58 31.40 1j3g s HIS 34 CO -0.07 -0.28 0.84 1.21 -2.00 0.00 0.00 174.74 174.44 1j3g s ASN 35 N -0.17 6.53 0.41 7.38 3.04 -1.26 -3.08 114.94 127.79 1j3g s ASN 35 Ca 0.01 0.25 0.03 0.00 0.04 0.00 0.00 52.86 53.19 1j3g s ASN 35 Cb -0.04 -2.42 -0.03 0.00 -1.54 0.00 0.00 41.25 37.22 1j3g s ASN 35 CO -0.03 -0.86 0.09 -0.63 -3.04 0.00 0.00 177.10 172.62 1j3g s ILE 36 N 3.35 0.87 -0.05 -5.21 -1.09 -0.99 -4.87 121.20 113.21 1j3g s ILE 36 Ca 0.33 -2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 56.73 1j3g s ILE 36 Cb -0.12 -2.43 0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1j3g s ILE 36 CO 0.21 0.00 0.10 -0.55 -1.23 0.00 0.00 174.94 173.46 1j3g s SER 37 N -3.64 0.74 0.11 3.58 0.15 -1.26 -2.97 113.70 110.41 1j3g s SER 37 Ca 0.23 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1j3g s SER 37 Cb 0.04 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1j3g s SER 37 CO 0.13 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.04 -0.25 -4.93 3.45 -0.00 -1.26 -4.97 117.00 114.09 1j3g n LEU 38 Ca -0.09 0.19 -0.26 0.00 -0.00 0.00 0.00 56.01 55.85 1j3g n LEU 38 Cb 0.50 0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 44.24 1j3g n LEU 38 CO 0.09 -0.55 0.15 -2.16 -0.00 0.00 0.00 177.39 174.92 1j3g s PRO 39 N -1.33 3.52 -0.29 1.96 0.04 -1.26 -4.69 135.00 132.96 1j3g s PRO 39 Ca 0.00 -0.26 -0.07 0.00 0.04 0.00 0.00 61.00 60.71 1j3g s PRO 39 Cb 0.00 -2.69 -0.23 0.00 0.04 0.00 0.00 34.50 31.62 1j3g s PRO 39 CO 0.00 0.21 3.50 -0.35 0.04 0.00 0.00 177.00 180.40 1j3g n PRO 40 N -1.38 2.30 0.00 0.56 -0.04 -1.26 -4.67 135.00 130.52 1j3g n PRO 40 Ca -0.04 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1j3g n PRO 40 Cb 0.55 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 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 2.65 -2.38 3.47 0.55 0.00 -1.26 -4.89 105.19 103.33 1j3g n GLY 41 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.65 0.49 -0.19 1.61 2.02 -1.26 -5.16 118.70 113.55 1j3g s GLU 42 Ca 0.00 1.20 -0.35 0.00 0.02 0.00 0.00 54.97 55.83 1j3g s GLU 42 Cb 0.00 0.47 0.14 0.00 0.10 0.00 0.00 34.13 34.84 1j3g s GLU 42 CO 0.00 -0.20 1.28 -0.06 0.02 0.00 0.00 175.26 176.30 1j3g s PHE 43 N 2.42 -0.08 -1.28 1.61 0.08 -1.26 -5.06 117.98 114.41 1j3g s PHE 43 Ca -0.06 0.04 0.12 0.00 0.12 0.00 0.00 56.93 57.15 1j3g s PHE 43 Cb -0.10 0.51 0.19 0.00 -0.57 0.00 0.00 43.02 43.05 1j3g s PHE 43 CO -0.16 -0.15 1.03 0.41 -0.10 0.00 0.00 175.22 176.25 1j3g n GLY 44 N -0.14 0.94 3.65 4.36 0.00 -1.26 -5.00 105.19 107.75 1j3g n GLY 44 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -0.99 1.66 0.00 -0.02 0.00 -1.26 -4.94 107.32 101.77 1j3g s GLY 45 Ca 0.18 0.13 0.11 0.00 0.00 0.00 0.00 44.72 45.14 1j3g s GLY 45 CO 0.16 2.22 1.25 -1.55 0.00 0.00 0.00 173.10 175.18 1j3g n PRO 46 N 6.47 0.17 -0.06 2.90 -0.04 -1.26 -2.98 135.00 140.20 1j3g n PRO 46 Ca 0.12 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1j3g n PRO 46 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1j3g n PRO 46 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j3g h TRP 47 N 0.00 0.30 0.12 0.54 -0.00 -1.98 0.15 115.95 115.07 1j3g h TRP 47 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1j3g h TRP 47 Cb 0.10 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1j3g h TRP 47 CO 0.00 0.23 -0.06 0.82 -0.00 0.00 0.00 178.44 179.44 1j3g h ILE 48 N 0.28 0.95 -0.27 1.49 2.04 -1.81 -1.71 117.51 118.48 1j3g h ILE 48 Ca 0.08 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1j3g h ILE 48 Cb 0.02 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1j3g h ILE 48 CO -0.02 0.06 0.13 -0.78 0.00 0.00 0.00 178.15 177.54 1j3g h ASP 49 N -0.27 0.35 -0.75 1.72 1.82 -1.68 -2.72 116.42 114.89 1j3g h ASP 49 Ca -0.02 -0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.51 1j3g h ASP 49 Cb 0.22 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 1j3g h ASP 49 CO 0.03 0.37 0.49 0.00 -1.61 0.00 0.00 179.24 178.52 1j3g h ALA 50 N 0.99 1.45 -0.00 -0.78 0.00 -0.62 0.22 119.26 120.52 1j3g h ALA 50 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j3g h ALA 50 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1j3g h ALA 50 CO -0.01 0.50 0.00 1.25 0.00 0.00 0.00 179.25 180.99 1j3g h LEU 51 N 1.02 0.01 -0.10 0.00 5.85 -1.13 0.81 115.31 121.77 1j3g h LEU 51 Ca 0.27 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1j3g h LEU 51 Cb -0.11 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1j3g h LEU 51 CO -0.06 0.11 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.74 1j3g h PHE 52 N -0.10 0.35 -0.50 1.25 -1.00 -1.04 -3.24 116.94 112.66 1j3g h PHE 52 Ca 0.00 -0.12 -0.09 0.00 2.81 0.00 0.00 57.97 60.58 1j3g h PHE 52 Cb 0.11 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1j3g h PHE 52 CO -0.04 0.75 -0.04 0.00 -1.61 0.00 0.00 178.31 177.37 1j3g h THR 53 N -0.16 1.25 0.00 -1.55 1.03 -0.66 -3.48 112.91 109.35 1j3g h THR 53 Ca 0.01 -1.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 1j3g h THR 53 Cb 0.72 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 1j3g h THR 53 CO 0.04 0.39 0.00 0.61 -0.01 0.00 0.00 175.52 176.54 1j3g n GLY 54 N -0.51 1.35 1.49 2.99 0.00 -0.26 -5.04 105.19 105.20 1j3g n GLY 54 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.23 2.50 -1.69 2.61 -2.24 0.12 -4.98 114.28 110.37 1j3g n THR 55 Ca 0.00 -1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 59.79 1j3g n THR 55 Cb 0.00 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.25 0.36 -3.78 2.28 3.06 -0.88 -4.90 119.36 115.75 1j3g n ILE 56 Ca 0.25 -0.06 -0.37 0.00 -2.50 0.00 0.00 62.75 60.07 1j3g n ILE 56 Cb 1.05 -2.10 -0.07 0.00 0.54 0.00 0.00 39.64 39.07 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 2.71 6.38 -0.84 9.51 2.15 -1.26 -4.93 116.67 130.38 1j3g s ASP 57 Ca 0.82 0.45 -0.21 0.00 0.43 0.00 0.00 52.55 54.04 1j3g s ASP 57 Cb -0.49 -2.10 -0.14 0.00 -0.30 0.00 0.00 42.92 39.89 1j3g s ASP 57 CO 0.38 0.32 1.95 -0.81 -0.17 0.00 0.00 175.17 176.84 1j3g n PRO 58 N 2.49 1.63 -0.05 4.34 -0.04 -1.26 -4.58 135.00 137.53 1j3g n PRO 58 Ca -0.18 -1.94 -0.06 0.00 -0.04 0.00 0.00 63.50 61.29 1j3g n PRO 58 Cb 0.54 -2.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.00 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 7.59 1.35 -0.10 3.54 2.85 -1.26 -4.68 115.26 124.55 1j3g n ASN 59 Ca 0.50 0.22 -0.06 0.00 -0.11 0.00 0.00 54.58 55.13 1j3g n ASN 59 Cb 0.41 -0.61 0.02 0.00 1.24 0.00 0.00 39.78 40.83 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 -1.04 0.37 -2.36 5.20 0.00 -2.05 -3.46 119.26 115.92 1j3g h ALA 60 Ca 0.00 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1j3g h ALA 60 Cb 0.63 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1j3g h ALA 60 CO 0.00 -0.33 0.67 -3.38 0.00 0.00 0.00 179.25 176.21 1j3g s HIS 61 N -6.17 0.04 0.09 0.00 -3.43 -1.26 -5.07 115.29 99.49 1j3g s HIS 61 Ca -0.13 -0.35 -0.16 0.00 -0.80 0.00 0.00 55.06 53.62 1j3g s HIS 61 Cb 0.12 0.65 -0.10 0.00 -1.43 0.00 0.00 32.58 31.83 1j3g s HIS 61 CO 0.71 -0.72 1.40 -1.00 -2.00 0.00 0.00 174.74 173.13 1j3g h PRO 62 N 2.00 0.63 -0.64 -0.38 0.13 -1.90 -3.35 132.00 128.49 1j3g h PRO 62 Ca -0.26 -0.33 0.13 0.00 -0.87 0.00 0.00 66.00 64.66 1j3g h PRO 62 Cb 1.21 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1j3g h PRO 62 CO 0.34 0.94 -0.21 -0.92 -0.23 0.00 0.00 178.00 177.91 1j3g h TYR 63 N 0.35 -0.50 0.45 1.56 5.03 -1.97 0.20 116.97 122.09 1j3g h TYR 63 Ca 0.04 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1j3g h TYR 63 Cb 0.82 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.40 1j3g h TYR 63 CO 0.07 -0.31 -0.39 0.35 -1.32 0.00 0.00 178.16 176.56 1j3g h PHE 64 N -0.05 -1.06 -0.51 -3.82 3.04 -1.98 0.01 116.94 112.57 1j3g h PHE 64 Ca 0.30 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.21 1j3g h PHE 64 Cb 0.51 0.40 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1j3g h PHE 64 CO -0.56 -0.55 0.16 0.00 -2.02 0.00 0.00 178.31 175.34 1j3g h ALA 65 N -0.48 0.67 -0.33 2.41 0.00 -1.71 -3.21 119.26 116.61 1j3g h ALA 65 Ca -0.04 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1j3g h ALA 65 Cb 0.73 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1j3g h ALA 65 CO -0.03 0.33 -0.48 0.78 0.00 0.00 0.00 179.25 179.85 1j3g h GLY 66 N 0.70 -1.15 1.59 0.00 0.00 -0.20 -2.82 103.07 101.19 1j3g h GLY 66 Ca 0.17 0.73 0.01 0.00 0.00 0.00 0.00 47.33 48.24 1j3g h GLY 66 CO -0.01 -0.21 0.27 0.16 0.00 0.00 0.00 176.54 176.75 1j3g h ILE 67 N -0.35 1.10 -0.98 2.60 3.07 -1.03 -3.23 117.51 118.69 1j3g h ILE 67 Ca 0.06 -0.19 0.33 0.00 1.55 0.00 0.00 64.86 66.61 1j3g h ILE 67 Cb 0.51 0.51 -0.17 0.00 -0.27 0.00 0.00 36.82 37.40 1j3g h ILE 67 CO -0.50 0.10 0.30 0.00 -1.05 0.00 0.00 178.15 177.00 1j3g h ALA 68 N 1.75 1.64 -0.84 0.16 0.00 -1.50 0.19 119.26 120.65 1j3g h ALA 68 Ca 0.15 0.28 0.13 0.00 0.00 0.00 0.00 54.91 55.48 1j3g h ALA 68 Cb -0.05 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1j3g h ALA 68 CO -0.03 -0.70 0.55 0.45 0.00 0.00 0.00 179.25 179.51 1j3g h HIS 69 N 0.06 0.75 -3.39 0.00 3.86 -1.72 -3.39 115.15 111.33 1j3g h HIS 69 Ca 0.70 0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 59.38 1j3g h HIS 69 Cb 1.64 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 29.83 1j3g h HIS 69 CO -0.23 0.30 0.09 -0.51 0.86 0.00 0.00 177.93 178.43 1j3g s LEU 70 N -9.71 4.48 0.70 2.43 1.02 0.67 -5.06 118.68 113.21 1j3g s LEU 70 Ca -0.10 1.38 -0.16 0.00 0.02 0.00 0.00 54.13 55.27 1j3g s LEU 70 Cb 0.21 -3.11 0.02 0.00 0.02 0.00 0.00 46.19 43.33 1j3g s LEU 70 CO 0.78 0.12 1.26 0.00 0.02 0.00 0.00 176.35 178.53 1j3g s ARG 71 N -0.46 2.25 0.25 1.70 1.70 -1.26 -4.95 118.95 118.18 1j3g s ARG 71 Ca 0.35 1.95 0.11 0.00 -0.47 0.00 0.00 55.73 57.66 1j3g s ARG 71 Cb -0.20 -1.82 -0.05 0.00 -0.57 0.00 0.00 34.95 32.31 1j3g s ARG 71 CO 0.21 -1.80 -0.12 0.14 -1.08 0.00 0.00 175.30 172.66 1j3g s VAL 72 N -1.66 2.92 -0.29 4.99 -7.23 -1.26 -4.96 120.40 112.90 1j3g s VAL 72 Ca 0.79 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 1j3g s VAL 72 Cb -0.34 -2.52 0.16 0.00 0.56 0.00 0.00 36.38 34.24 1j3g s VAL 72 CO 0.43 -0.33 1.04 -0.44 -0.31 0.00 0.00 175.10 175.50 1j3g s SER 73 N -3.40 -0.41 0.34 4.85 0.01 -1.25 -4.69 113.70 109.16 1j3g s SER 73 Ca 0.29 0.64 0.01 0.00 1.31 0.00 0.00 55.95 58.20 1j3g s SER 73 Cb -0.06 1.22 0.03 0.00 0.21 0.00 0.00 66.02 67.41 1j3g s SER 73 CO 0.16 -0.10 0.21 0.00 0.41 0.00 0.00 173.24 173.92 1j3g n ALA 74 N 3.73 0.13 0.05 1.44 0.00 -1.26 -1.33 120.51 123.27 1j3g n ALA 74 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1j3g n ALA 74 Cb 0.57 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -1.56 -0.10 -3.69 0.00 8.25 -1.20 -4.38 115.22 112.55 1j3g n HIS 75 Ca 0.04 0.02 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 1j3g n HIS 75 Cb 0.13 0.02 -0.18 0.00 1.12 0.00 0.00 29.99 31.09 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 2.12 4.49 -0.30 0.00 1.98 0.01 -0.58 118.68 126.41 1j3g s LEU 77 Ca 0.05 -0.67 -0.16 0.00 -2.89 0.00 0.00 54.13 50.46 1j3g s LEU 77 Cb -0.13 -2.06 -0.03 0.00 0.66 0.00 0.00 46.19 44.64 1j3g s LEU 77 CO -0.04 -0.29 0.40 -0.63 -1.89 0.00 0.00 176.35 173.91 1j3g s ILE 78 N 1.63 5.14 0.47 6.68 1.01 -0.51 -1.15 121.20 134.47 1j3g s ILE 78 Ca 0.04 0.45 -0.21 0.00 0.00 0.00 0.00 60.65 60.93 1j3g s ILE 78 Cb -0.18 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 1j3g s ILE 78 CO 0.08 0.04 1.09 -0.60 0.00 0.00 0.00 174.94 175.55 1j3g s ARG 79 N 2.13 3.77 0.44 2.79 3.52 0.40 -2.23 118.95 129.77 1j3g s ARG 79 Ca 0.15 1.54 0.27 0.00 -0.13 0.00 0.00 55.73 57.57 1j3g s ARG 79 Cb -0.16 -2.24 1.33 0.00 -1.56 0.00 0.00 34.95 32.32 1j3g s ARG 79 CO 0.11 -0.49 1.70 0.07 -0.81 0.00 0.00 175.30 175.88 1j3g h ARG 80 N 1.80 0.19 -1.28 5.12 -0.00 -1.88 -1.22 114.38 117.10 1j3g h ARG 80 Ca -0.49 -0.01 -0.37 0.00 -0.00 0.00 0.00 59.98 59.11 1j3g h ARG 80 Cb 1.23 -0.04 -0.17 0.00 -0.00 0.00 0.00 29.97 30.99 1j3g h ARG 80 CO 0.60 0.12 0.47 -3.47 -0.00 0.00 0.00 179.97 177.69 1j3g n ASP 81 N -4.57 5.62 -3.25 0.08 -0.08 -1.26 -3.49 116.55 109.60 1j3g n ASP 81 Ca 0.31 -3.12 -0.15 0.00 -1.51 0.00 0.00 54.79 50.32 1j3g n ASP 81 Cb 1.22 -0.93 0.08 0.00 2.34 0.00 0.00 41.12 43.83 1j3g n ASP 81 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j3g n GLY 82 N -0.10 -0.52 3.09 0.27 0.00 -0.47 -5.01 105.19 102.46 1j3g n GLY 82 Ca 0.36 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 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 -5.01 2.40 -0.38 1.61 2.02 -1.18 -4.91 118.70 113.26 1j3g s GLU 83 Ca 0.12 -1.24 -0.25 0.00 0.02 0.00 0.00 54.97 53.62 1j3g s GLU 83 Cb -0.02 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1j3g s GLU 83 CO 0.69 -0.50 0.86 0.42 0.02 0.00 0.00 175.26 176.74 1j3g s ILE 84 N 1.15 4.64 -0.06 -1.63 1.01 -1.26 -0.46 121.20 124.59 1j3g s ILE 84 Ca -0.06 0.99 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1j3g s ILE 84 Cb -0.19 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1j3g s ILE 84 CO -0.06 -0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 173.60 1j3g s VAL 85 N 3.32 3.68 -0.21 2.92 1.01 -0.30 -1.45 120.40 129.37 1j3g s VAL 85 Ca 0.35 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1j3g s VAL 85 Cb -0.12 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1j3g s VAL 85 CO 0.19 0.59 -0.13 -1.58 0.00 0.00 0.00 175.10 174.16 1j3g s GLN 86 N -0.85 2.36 -0.20 2.72 0.74 -0.63 -0.81 119.66 122.99 1j3g s GLN 86 Ca 0.13 -0.98 -0.02 0.00 0.05 0.00 0.00 55.36 54.53 1j3g s GLN 86 Cb -0.11 -2.59 -0.00 0.00 1.10 0.00 0.00 33.01 31.41 1j3g s GLN 86 CO 0.02 -0.40 -0.09 0.71 -0.55 0.00 0.00 175.29 174.97 1j3g s TYR 87 N 1.28 2.90 -0.13 1.67 2.02 -0.84 -1.24 117.35 123.00 1j3g s TYR 87 Ca -0.02 -1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 55.59 1j3g s TYR 87 Cb -0.16 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 1j3g s TYR 87 CO -0.09 -0.58 0.02 0.28 -1.57 0.00 0.00 175.55 173.62 1j3g n VAL 88 N 4.62 -6.86 -0.32 0.71 0.31 -1.26 -3.23 118.33 112.30 1j3g n VAL 88 Ca -0.19 0.95 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 1j3g n VAL 88 Cb 0.51 -5.28 0.00 0.00 -0.91 0.00 0.00 33.84 28.16 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 0.42 -0.88 0.00 5.55 -0.04 -1.26 -4.56 135.00 134.22 1j3g n PRO 89 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1j3g n PRO 89 Cb 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -2.30 0.00 -4.86 0.54 3.01 -1.26 -4.54 117.46 108.05 1j3g n PHE 90 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1j3g n PHE 90 Cb 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.31 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 -1.98 2.22 -0.06 4.37 2.15 -1.26 -4.91 116.67 117.21 1j3g s ASP 91 Ca 0.00 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.60 1j3g s ASP 91 Cb 0.00 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 1j3g s ASP 91 CO 0.00 0.16 0.07 1.17 -0.17 0.00 0.00 175.17 176.39 1j3g n LYS 92 N 3.15 -0.37 -1.01 4.34 3.00 -1.26 -4.97 118.16 121.04 1j3g n LYS 92 Ca -0.18 0.75 -0.36 0.00 -0.00 0.00 0.00 58.31 58.51 1j3g n LYS 92 Cb 0.53 -1.99 -0.03 0.00 0.00 0.00 0.00 35.03 33.54 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j3g n ARG 93 N -0.35 0.00 -3.01 1.64 0.63 -1.26 -4.71 116.66 109.60 1j3g n ARG 93 Ca 0.01 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.75 1j3g n ARG 93 Cb 0.05 -0.82 0.04 0.00 0.45 0.00 0.00 32.46 32.18 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3g n ALA 94 N 0.34 0.95 -3.63 5.13 0.00 -1.26 -3.35 120.51 118.69 1j3g n ALA 94 Ca 0.13 -1.85 -0.12 0.00 0.00 0.00 0.00 53.44 51.59 1j3g n ALA 94 Cb 0.14 0.60 -0.12 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.21 -0.52 -0.46 0.00 -0.00 -0.44 -4.75 118.94 110.57 1j3g s TRP 95 Ca 0.43 1.03 0.07 0.00 -0.00 0.00 0.00 56.10 57.63 1j3g s TRP 95 Cb -0.03 0.02 0.30 0.00 -0.00 0.00 0.00 33.47 33.75 1j3g s TRP 95 CO 0.27 -0.43 1.01 -2.39 -0.00 0.00 0.00 176.95 175.42 1j3g n HIS 96 N 5.36 -2.68 0.03 5.86 1.44 -1.26 -3.75 115.22 120.22 1j3g n HIS 96 Ca -0.06 -2.21 0.00 0.00 -2.01 0.00 0.00 57.72 53.43 1j3g n HIS 96 Cb 0.50 1.39 0.00 0.00 0.12 0.00 0.00 29.99 32.00 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 0.72 0.00 0.00 1.59 0.00 -1.26 -4.94 120.51 116.62 1j3g n ALA 97 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j3g n ALA 97 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.46 2.01 2.93 0.00 0.00 -1.26 -5.01 105.19 102.40 1j3g n GLY 98 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 0.08 -0.19 1.61 1.01 -1.26 -4.10 120.40 117.54 1j3g s VAL 99 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1j3g s VAL 99 Cb 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 36.38 36.33 1j3g s VAL 99 CO 0.00 -0.27 0.92 -0.94 0.00 0.00 0.00 175.10 174.81 1j3g s SER 100 N -0.80 -0.49 0.04 3.32 1.04 -1.24 -4.80 113.70 110.76 1j3g s SER 100 Ca -0.09 0.74 0.03 0.00 0.48 0.00 0.00 55.95 57.12 1j3g s SER 100 Cb -0.05 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1j3g s SER 100 CO -0.01 -0.31 -0.10 -0.94 0.98 0.00 0.00 173.24 172.86 1j3g s SER 101 N -0.50 1.20 -0.04 7.02 1.04 -1.26 -0.53 113.70 120.63 1j3g s SER 101 Ca -0.02 -0.44 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 1j3g s SER 101 Cb -0.02 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1j3g s SER 101 CO 0.00 -0.05 0.39 -0.47 0.98 0.00 0.00 173.24 174.09 1j3g s TYR 102 N -0.94 -0.30 -1.41 5.02 5.04 -0.39 -4.27 117.35 120.10 1j3g s TYR 102 Ca -0.03 0.52 -0.12 0.00 -2.44 0.00 0.00 57.07 55.00 1j3g s TYR 102 Cb -0.08 0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.41 1j3g s TYR 102 CO 0.01 -0.41 0.29 1.04 -1.34 0.00 0.00 175.55 175.14 1j3g n GLN 103 N 1.38 -1.01 -2.27 4.97 6.02 -1.26 -1.82 117.38 123.38 1j3g n GLN 103 Ca -0.20 0.14 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 1j3g n GLN 103 Cb 0.56 -3.38 -0.02 0.00 1.02 0.00 0.00 30.24 28.42 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 -2.33 -0.16 3.00 1.08 0.00 -1.26 -5.00 105.19 100.52 1j3g n GLY 104 Ca -0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.80 0.86 0.05 1.61 3.52 -0.76 -5.15 118.95 114.30 1j3g s ARG 105 Ca 0.00 -0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1j3g s ARG 105 Cb 0.00 -0.82 -0.05 0.00 -1.56 0.00 0.00 34.95 32.52 1j3g s ARG 105 CO 0.00 0.12 0.33 -2.00 -0.81 0.00 0.00 175.30 172.93 1j3g s GLU 106 N 0.13 3.64 -0.21 5.12 2.56 -1.26 -1.26 118.70 127.42 1j3g s GLU 106 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.97 54.91 1j3g s GLU 106 Cb -0.07 -3.02 -0.01 0.00 2.00 0.00 0.00 34.13 33.03 1j3g s GLU 106 CO 0.00 0.59 -0.06 1.03 -0.56 0.00 0.00 175.26 176.26 1j3g s ARG 107 N -1.97 3.34 0.50 4.30 0.52 0.32 -4.96 118.95 121.00 1j3g s ARG 107 Ca 0.32 -0.64 0.23 0.00 -0.52 0.00 0.00 55.73 55.11 1j3g s ARG 107 Cb -0.13 -2.96 1.30 0.00 0.52 0.00 0.00 34.95 33.68 1j3g s ARG 107 CO 0.18 -0.19 1.97 0.00 0.02 0.00 0.00 175.30 177.29 1j3g s ASN 109 N -6.11 -0.06 -1.34 0.00 0.02 -1.26 -4.75 114.94 101.44 1j3g s ASN 109 Ca -0.06 -0.78 -0.16 0.00 -1.02 0.00 0.00 52.86 50.84 1j3g s ASN 109 Cb 0.20 0.64 0.07 0.00 0.02 0.00 0.00 41.25 42.19 1j3g s ASN 109 CO 0.74 -1.26 1.87 -0.67 0.02 0.00 0.00 177.10 177.81 1j3g n ASP 110 N -1.07 4.64 -1.23 -1.22 2.03 -1.26 -4.76 116.55 113.69 1j3g n ASP 110 Ca -0.05 -2.91 -0.01 0.00 0.52 0.00 0.00 54.79 52.33 1j3g n ASP 110 Cb 0.60 -1.69 0.01 0.00 -0.72 0.00 0.00 41.12 39.31 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 7.24 0.15 -4.48 -0.67 1.16 -1.26 -4.61 117.46 114.97 1j3g n PHE 111 Ca 0.48 -0.75 -0.21 0.00 -1.87 0.00 0.00 57.45 55.10 1j3g n PHE 111 Cb 0.43 -0.38 -0.14 0.00 -1.61 0.00 0.00 39.48 37.78 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 1.22 1.68 -1.16 5.98 0.01 -1.26 -4.39 113.70 115.78 1j3g s SER 112 Ca 0.03 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 1j3g s SER 112 Cb 0.02 -0.14 -0.14 0.00 0.21 0.00 0.00 66.02 65.97 1j3g s SER 112 CO 0.00 0.10 3.16 0.00 0.41 0.00 0.00 173.24 176.91 1j3g n ILE 113 N 2.25 3.94 0.00 1.44 0.00 -1.26 -4.86 119.36 120.87 1j3g n ILE 113 Ca -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 62.75 60.32 1j3g n ILE 113 Cb 0.55 -2.44 0.00 0.00 0.00 0.00 0.00 39.64 37.75 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 0.75 3.19 4.50 0.00 -1.21 -4.80 105.19 110.88 1j3g n GLY 114 Ca 0.69 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 0.13 -0.04 -0.61 -1.09 -1.26 -4.48 121.20 113.85 1j3g s ILE 115 Ca 0.00 -1.62 -0.01 0.00 -2.23 0.00 0.00 60.65 56.78 1j3g s ILE 115 Cb 0.00 -1.75 0.03 0.00 -1.58 0.00 0.00 42.46 39.16 1j3g s ILE 115 CO 0.00 -0.57 0.08 -0.70 -1.23 0.00 0.00 174.94 172.52 1j3g s GLU 116 N -3.97 0.03 0.35 2.79 2.12 0.26 -3.19 118.70 117.09 1j3g s GLU 116 Ca 0.15 0.26 0.07 0.00 0.36 0.00 0.00 54.97 55.81 1j3g s GLU 116 Cb 0.06 -0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.24 1j3g s GLU 116 CO -0.04 -0.16 0.46 -0.51 -0.54 0.00 0.00 175.26 174.47 1j3g s LEU 117 N 1.04 3.86 0.05 2.70 1.02 -1.18 -1.43 118.68 124.75 1j3g s LEU 117 Ca -0.08 -0.28 -0.00 0.00 0.02 0.00 0.00 54.13 53.78 1j3g s LEU 117 Cb -0.11 -2.64 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 1j3g s LEU 117 CO -0.04 -0.47 -0.04 -0.70 0.02 0.00 0.00 176.35 175.12 1j3g s GLU 118 N -4.17 0.59 0.05 1.70 -6.30 -0.95 -2.35 118.70 107.28 1j3g s GLU 118 Ca 0.46 -1.14 -0.28 0.00 -2.50 0.00 0.00 54.97 51.52 1j3g s GLU 118 Cb -0.09 0.14 0.10 0.00 0.00 0.00 0.00 34.13 34.28 1j3g s GLU 118 CO 0.31 -0.09 1.18 0.20 0.02 0.00 0.00 175.26 176.88 1j3g s GLY 119 N -2.70 -0.24 -0.27 -1.50 0.00 -1.16 -3.48 107.32 97.98 1j3g s GLY 119 Ca 0.04 0.30 -0.04 0.00 0.00 0.00 0.00 44.72 45.02 1j3g s GLY 119 CO -0.08 1.41 0.15 -0.51 0.00 0.00 0.00 173.10 174.07 1j3g s THR 120 N -2.49 -0.13 -1.24 0.90 -4.23 -1.26 -4.66 115.64 102.53 1j3g s THR 120 Ca 0.18 -0.61 -0.13 0.00 -1.18 0.00 0.00 61.69 59.95 1j3g s THR 120 Cb 0.01 -0.91 -0.00 0.00 1.34 0.00 0.00 72.50 72.94 1j3g s THR 120 CO -0.01 -0.61 0.66 -0.67 -0.54 0.00 0.00 174.62 173.46 1j3g n ASP 121 N 5.27 -3.24 -3.97 3.99 2.03 -1.26 -2.24 116.55 117.12 1j3g n ASP 121 Ca -0.06 -1.00 -0.32 0.00 0.52 0.00 0.00 54.79 53.93 1j3g n ASP 121 Cb 0.44 -3.29 -0.02 0.00 -0.72 0.00 0.00 41.12 37.53 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 -4.29 -1.00 -2.04 5.18 -2.24 -1.26 -4.95 114.28 103.68 1j3g n THR 122 Ca -0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 1j3g n THR 122 Cb 0.63 -1.69 0.01 0.00 -2.10 0.00 0.00 70.33 67.19 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -7.03 3.95 -0.45 3.22 2.96 -0.95 -4.82 118.68 115.56 1j3g s LEU 123 Ca 0.65 2.53 -0.41 0.00 -0.22 0.00 0.00 54.13 56.68 1j3g s LEU 123 Cb -0.35 -4.24 -0.18 0.00 0.50 0.00 0.00 46.19 41.92 1j3g s LEU 123 CO 0.80 -1.20 1.74 0.00 -1.32 0.00 0.00 176.35 176.37 1j3g n ALA 124 N -0.69 -0.39 1.91 5.97 0.00 -1.26 -4.80 120.51 121.24 1j3g n ALA 124 Ca 0.08 0.29 0.14 0.00 0.00 0.00 0.00 53.44 53.96 1j3g n ALA 124 Cb 0.46 -1.83 0.86 0.00 0.00 0.00 0.00 19.45 18.94 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 5.49 0.00 -3.05 0.00 4.01 -1.26 -4.58 117.16 117.77 1j3g n TYR 125 Ca 0.41 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 58.02 1j3g n TYR 125 Cb -0.04 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.97 -9.29 -0.10 -0.72 -2.24 -1.23 -4.39 114.28 95.33 1j3g n THR 126 Ca 0.22 0.53 0.08 0.00 -2.27 0.00 0.00 64.05 62.61 1j3g n THR 126 Cb 0.10 -6.36 0.13 0.00 -2.10 0.00 0.00 70.33 62.10 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 -0.32 3.42 9.92 -1.26 -0.07 116.55 127.64 1j3g n ASP 127 Ca 0.04 0.20 0.17 0.00 -0.53 0.00 0.00 54.79 54.67 1j3g n ASP 127 Cb 0.52 -0.10 0.36 0.00 -0.64 0.00 0.00 41.12 41.26 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 0.22 1.62 -0.35 2.24 0.00 -1.96 0.38 119.26 121.41 1j3g h ALA 128 Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1j3g h ALA 128 Cb 0.57 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1j3g h ALA 128 CO -0.04 -0.40 -0.14 1.96 0.00 0.00 0.00 179.25 180.63 1j3g h GLN 129 N 0.39 -0.07 -0.68 0.00 4.20 -0.69 0.96 115.11 119.22 1j3g h GLN 129 Ca 0.62 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.34 1j3g h GLN 129 Cb 1.26 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 1j3g h GLN 129 CO -0.56 -0.05 0.45 1.88 -0.67 0.00 0.00 178.83 179.88 1j3g h TYR 130 N -0.08 0.85 0.07 2.96 0.05 -1.13 0.20 116.97 119.91 1j3g h TYR 130 Ca 0.17 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 1j3g h TYR 130 Cb 0.34 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.79 1j3g h TYR 130 CO -0.36 0.54 -0.04 1.96 -1.05 0.00 0.00 178.16 179.21 1j3g h GLN 131 N 0.92 -0.10 0.02 4.88 4.20 -0.97 -0.48 115.11 123.59 1j3g h GLN 131 Ca 0.25 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 1j3g h GLN 131 Cb -0.11 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1j3g h GLN 131 CO -0.05 0.21 -0.01 1.96 -0.67 0.00 0.00 178.83 180.27 1j3g h GLN 132 N -0.41 -0.02 -0.36 1.46 1.08 -0.75 -1.31 115.11 114.81 1j3g h GLN 132 Ca -0.01 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.26 1j3g h GLN 132 Cb 0.35 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 1j3g h GLN 132 CO 0.02 0.12 -0.01 1.25 -0.95 0.00 0.00 178.83 179.26 1j3g h LEU 133 N -0.17 -0.16 -1.37 1.46 5.85 -0.65 -1.50 115.31 118.78 1j3g h LEU 133 Ca -0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1j3g h LEU 133 Cb 0.16 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1j3g h LEU 133 CO 0.00 -0.04 0.44 0.00 -0.34 0.00 0.00 178.44 178.50 1j3g h ALA 134 N 1.32 1.56 0.31 1.25 0.00 -0.78 0.24 119.26 123.16 1j3g h ALA 134 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1j3g h ALA 134 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1j3g h ALA 134 CO -0.30 0.40 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 1j3g h ALA 135 N 1.60 -0.42 -0.33 0.00 0.00 -0.40 -1.37 119.26 118.34 1j3g h ALA 135 Ca 0.25 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1j3g h ALA 135 Cb -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1j3g h ALA 135 CO -0.06 -0.69 0.13 0.28 0.00 0.00 0.00 179.25 178.91 1j3g h VAL 136 N -0.52 0.93 -0.44 0.00 2.07 -0.77 -2.43 116.25 115.09 1j3g h VAL 136 Ca -0.04 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1j3g h VAL 136 Cb 0.39 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 1j3g h VAL 136 CO 0.07 0.05 -0.01 0.74 0.02 0.00 0.00 177.57 178.44 1j3g h THR 137 N 0.28 0.66 -0.32 2.57 2.02 -0.44 0.27 112.91 117.95 1j3g h THR 137 Ca 0.15 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1j3g h THR 137 Cb 0.10 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1j3g h THR 137 CO -0.14 0.02 0.20 0.78 0.37 0.00 0.00 175.52 176.75 1j3g h ASN 138 N 0.10 0.34 -0.06 4.18 2.35 -1.04 -0.62 115.58 120.83 1j3g h ASN 138 Ca 0.22 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1j3g h ASN 138 Cb 0.32 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1j3g h ASN 138 CO -0.37 0.25 -0.03 0.00 -1.65 0.00 0.00 177.43 175.63 1j3g h ALA 139 N 1.13 0.03 -0.91 -0.83 0.00 -0.75 -1.44 119.26 116.49 1j3g h ALA 139 Ca 0.12 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1j3g h ALA 139 Cb -0.03 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1j3g h ALA 139 CO -0.04 -0.50 0.56 -0.07 0.00 0.00 0.00 179.25 179.20 1j3g h LEU 140 N -0.02 0.86 -0.05 0.00 4.07 -0.86 -2.41 115.31 116.90 1j3g h LEU 140 Ca 0.04 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1j3g h LEU 140 Cb 0.07 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.66 1j3g h LEU 140 CO -0.08 0.52 0.03 0.40 -1.08 0.00 0.00 178.44 178.24 1j3g h ILE 141 N 0.98 1.04 0.00 1.22 2.04 -0.58 0.17 117.51 122.38 1j3g h ILE 141 Ca 0.41 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.18 1j3g h ILE 141 Cb 0.26 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1j3g h ILE 141 CO -0.20 0.03 0.01 0.74 0.00 0.00 0.00 178.15 178.73 1j3g h THR 142 N 0.04 0.00 0.00 -0.27 2.02 -0.92 -2.87 112.91 110.92 1j3g h THR 142 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 1j3g h THR 142 Cb 0.02 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1j3g h THR 142 CO -0.00 0.00 -0.84 0.54 0.37 0.00 0.00 175.52 175.58 1j3g n ARG 143 N -2.54 0.50 -3.95 6.66 5.12 -0.66 -4.90 116.66 116.88 1j3g n ARG 143 Ca -0.02 0.40 -0.30 0.00 -1.93 0.00 0.00 57.85 56.00 1j3g n ARG 143 Cb 0.06 -1.59 -0.16 0.00 -1.16 0.00 0.00 32.46 29.61 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 -2.51 2.24 -0.47 -1.55 2.02 0.52 -5.10 117.35 112.49 1j3g s TYR 144 Ca -0.22 -1.54 -0.19 0.00 -0.37 0.00 0.00 57.07 54.74 1j3g s TYR 144 Cb 0.04 -1.54 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 1j3g s TYR 144 CO 0.34 -0.73 0.61 -1.25 -1.57 0.00 0.00 175.55 172.94 1j3g s PRO 145 N 1.45 3.17 0.02 -1.71 0.04 -1.09 -4.20 135.00 132.67 1j3g s PRO 145 Ca -0.03 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1j3g s PRO 145 Cb -0.17 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1j3g s PRO 145 CO -0.07 -1.11 0.00 0.00 0.04 0.00 0.00 177.00 175.86 1j3g n ALA 146 N 6.14 1.25 -0.43 8.56 0.00 -1.26 -4.91 120.51 129.86 1j3g n ALA 146 Ca -0.05 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.75 1j3g n ALA 146 Cb 0.46 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.58 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.26 -0.57 0.00 2.04 -1.77 0.08 117.51 117.55 1j3g h ILE 147 Ca 0.00 -0.04 0.17 0.00 1.00 0.00 0.00 64.86 65.98 1j3g h ILE 147 Cb 0.00 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1j3g h ILE 147 CO 0.00 0.02 0.60 0.00 0.00 0.00 0.00 178.15 178.77 1j3g h ALA 148 N 1.47 2.34 0.00 1.87 0.00 -1.91 -1.58 119.26 121.45 1j3g h ALA 148 Ca 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1j3g h ALA 148 Cb 2.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1j3g h ALA 148 CO -0.23 -0.89 -0.35 0.09 0.00 0.00 0.00 179.25 177.86 1j3g n ASN 149 N -3.68 0.40 -3.45 0.00 3.02 -0.02 -4.87 115.26 106.65 1j3g n ASN 149 Ca 0.11 -2.04 -0.28 0.00 -0.03 0.00 0.00 54.58 52.34 1j3g n ASN 149 Cb 0.81 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.16 2.27 -0.20 6.41 -0.87 -0.59 -5.03 114.94 115.76 1j3g s ASN 150 Ca 0.05 -2.71 0.01 0.00 -1.57 0.00 0.00 52.86 48.64 1j3g s ASN 150 Cb 0.04 -0.49 0.04 0.00 -0.02 0.00 0.00 41.25 40.83 1j3g s ASN 150 CO 0.00 -0.23 -0.10 -0.04 -2.57 0.00 0.00 177.10 174.17 1j3g s MET 151 N 0.44 1.99 0.04 -0.60 -1.94 -1.26 -2.59 119.30 115.38 1j3g s MET 151 Ca 0.26 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 1j3g s MET 151 Cb -0.09 -2.44 0.00 0.00 2.01 0.00 0.00 34.83 34.31 1j3g s MET 151 CO -0.10 -0.45 0.05 -2.37 -0.01 0.00 0.00 175.02 172.14 1j3g n THR 152 N 4.68 0.00 0.00 2.05 5.66 -0.87 -5.00 114.28 120.80 1j3g n THR 152 Ca -0.14 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1j3g n THR 152 Cb 0.46 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 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 -0.07 4.26 0.01 1.09 0.00 -1.25 0.20 105.19 109.44 1j3g n GLY 153 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.63 1.61 -0.00 0.11 -4.50 115.22 113.07 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 -0.21 -0.11 0.00 -0.00 0.00 0.00 29.99 29.67 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 -1.58 6.31 0.24 0.00 5.15 -1.06 -4.35 115.26 119.97 1j3g n ASN 156 Ca 0.02 -2.97 0.09 0.00 -0.60 0.00 0.00 54.58 51.12 1j3g n ASN 156 Cb 0.32 -1.07 0.59 0.00 -0.53 0.00 0.00 39.78 39.09 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 1.00 0.79 0.00 -1.44 -2.65 -1.78 -3.42 117.51 110.02 1j3g h ILE 157 Ca 0.25 -0.75 0.00 0.00 1.03 0.00 0.00 64.86 65.38 1j3g h ILE 157 Cb 0.92 1.45 0.00 0.00 -2.05 0.00 0.00 36.82 37.15 1j3g h ILE 157 CO 0.65 0.19 0.00 0.00 0.03 0.00 0.00 178.15 179.01 1j3g n ALA 158 N -2.35 2.45 -2.58 0.16 0.00 -1.26 -4.45 120.51 112.48 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 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.45 3.65 0.59 0.00 0.04 -1.26 -4.91 135.00 131.65 1j3g s PRO 159 Ca 0.00 0.38 0.38 0.00 0.04 0.00 0.00 61.00 61.80 1j3g s PRO 159 Cb 0.00 -3.90 2.06 0.00 0.04 0.00 0.00 34.50 32.70 1j3g s PRO 159 CO 0.00 -1.25 2.16 1.49 0.04 0.00 0.00 177.00 179.44 1j3g h GLU 160 N 9.04 0.00 -0.16 4.56 4.81 -1.90 -2.49 114.58 128.44 1j3g h GLU 160 Ca -0.23 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1j3g h GLU 160 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1j3g h GLU 160 CO 1.06 0.00 0.16 -0.09 -0.73 0.00 0.00 179.01 179.42 1j3g h ARG 161 N 0.00 0.00 -5.75 1.92 2.43 -1.95 -3.39 114.38 107.64 1j3g h ARG 161 Ca 0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1j3g h ARG 161 Cb 0.07 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.34 1j3g h ARG 161 CO 0.00 0.00 -0.83 0.15 -1.51 0.00 0.00 179.97 177.78 1j3g s LYS 162 N -4.70 1.41 0.00 0.20 -0.14 -0.94 -4.95 119.74 110.61 1j3g s LYS 162 Ca -0.05 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 53.87 1j3g s LYS 162 Cb 0.16 -1.39 0.00 0.00 -1.68 0.00 0.00 37.83 34.92 1j3g s LYS 162 CO 0.57 0.38 0.00 2.41 -0.76 0.00 0.00 175.35 177.95 1j3g n THR 163 N 2.46 0.00 -3.85 2.17 -1.04 -1.26 -2.56 114.28 110.21 1j3g n THR 163 Ca -0.15 -0.07 0.01 0.00 -2.04 0.00 0.00 64.05 61.79 1j3g n THR 163 Cb 0.54 0.48 0.01 0.00 -1.82 0.00 0.00 70.33 69.54 1j3g n THR 163 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1j3g s ASP 164 N -0.65 -0.02 -1.20 8.00 1.11 -1.26 -0.71 116.67 121.94 1j3g s ASP 164 Ca 0.00 -0.31 -0.17 0.00 0.18 0.00 0.00 52.55 52.25 1j3g s ASP 164 Cb 0.00 0.25 -0.03 0.00 1.07 0.00 0.00 42.92 44.21 1j3g s ASP 164 CO 0.00 -0.49 2.11 -0.81 1.18 0.00 0.00 175.17 177.15 1j3g n PRO 165 N -0.72 2.35 0.00 8.23 -0.04 -1.26 -3.63 135.00 139.94 1j3g n PRO 165 Ca -0.02 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1j3g n PRO 165 Cb 0.60 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 4.30 0.83 0.13 0.55 0.00 -1.26 -5.10 105.19 104.65 1j3g n GLY 166 Ca 0.51 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1j3g n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3g h PRO 167 N 0.00 -0.25 -6.09 1.61 0.13 -1.93 -3.40 132.00 122.07 1j3g h PRO 167 Ca 0.00 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.73 1j3g h PRO 167 Cb 0.00 0.06 0.06 0.00 0.13 0.00 0.00 31.00 31.25 1j3g h PRO 167 CO 0.00 -0.17 -0.85 0.45 -0.23 0.00 0.00 178.00 177.20 1j3g n SER 168 N -4.37 -1.86 -0.13 1.44 2.88 -1.26 -4.52 113.62 105.79 1j3g n SER 168 Ca -0.03 -0.85 0.06 0.00 -1.33 0.00 0.00 58.87 56.73 1j3g n SER 168 Cb 0.10 -3.99 0.09 0.00 -0.75 0.00 0.00 64.21 59.66 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 -4.21 0.00 -3.59 0.66 7.35 -1.26 -4.99 117.46 111.43 1j3g n PHE 169 Ca -0.27 -0.72 -0.33 0.00 -0.76 0.00 0.00 57.45 55.37 1j3g n PHE 169 Cb 0.67 -0.11 0.02 0.00 0.35 0.00 0.00 39.48 40.41 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 -1.00 -5.36 -0.25 -2.13 -0.08 -1.26 -4.50 116.55 101.97 1j3g n ASP 170 Ca 0.10 -0.42 0.22 0.00 -1.51 0.00 0.00 54.79 53.18 1j3g n ASP 170 Cb 0.59 -1.78 0.55 0.00 2.34 0.00 0.00 41.12 42.82 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 1.26 0.46 -0.61 -0.67 4.06 -1.97 0.95 115.95 119.43 1j3g h TRP 171 Ca -0.57 0.01 -0.09 0.00 2.06 0.00 0.00 58.89 60.30 1j3g h TRP 171 Cb 1.40 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.39 1j3g h TRP 171 CO 0.08 0.10 0.03 0.00 -3.56 0.00 0.00 178.44 175.10 1j3g h ALA 172 N 1.60 0.90 0.22 1.49 0.00 -1.97 0.46 119.26 121.95 1j3g h ALA 172 Ca 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1j3g h ALA 172 Cb 1.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1j3g h ALA 172 CO -0.17 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 1j3g h ARG 173 N 0.96 -0.28 0.06 0.00 3.08 -1.17 -2.47 114.38 114.57 1j3g h ARG 173 Ca 0.18 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1j3g h ARG 173 Cb 0.51 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1j3g h ARG 173 CO 0.02 0.04 -0.07 0.35 -1.07 0.00 0.00 179.97 179.24 1j3g h PHE 174 N -0.62 -0.19 0.00 3.04 3.57 -1.21 -1.64 116.94 119.89 1j3g h PHE 174 Ca -0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1j3g h PHE 174 Cb 0.45 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1j3g h PHE 174 CO 0.03 -0.12 -0.11 -0.09 -2.23 0.00 0.00 178.31 175.79 1j3g h ARG 175 N -0.16 0.00 0.13 1.11 2.43 -1.03 -0.26 114.38 116.60 1j3g h ARG 175 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1j3g h ARG 175 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1j3g h ARG 175 CO -0.03 0.11 -0.06 0.00 -1.51 0.00 0.00 179.97 178.47 1j3g h ALA 176 N 1.89 -0.17 0.65 2.80 0.00 -0.83 -3.31 119.26 120.29 1j3g h ALA 176 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1j3g h ALA 176 Cb 0.39 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j3g h ALA 176 CO 0.01 -0.43 -0.31 -0.07 0.00 0.00 0.00 179.25 178.46 1j3g h LEU 177 N -0.51 -0.73-10.27 0.00 -0.00 -0.90 -3.44 115.31 99.45 1j3g h LEU 177 Ca -0.02 -0.02 -0.47 0.00 -0.00 0.00 0.00 57.88 57.38 1j3g h LEU 177 Cb 0.41 0.19 0.18 0.00 -0.00 0.00 0.00 40.66 41.43 1j3g h LEU 177 CO 0.03 -0.41 0.17 -0.69 -0.00 0.00 0.00 178.44 177.54 1j3g s VAL 178 N -5.21 2.30 -0.16 1.22 1.01 -0.15 -4.90 120.40 114.52 1j3g s VAL 178 Ca -0.16 0.10 -0.38 0.00 0.00 0.00 0.00 61.98 61.54 1j3g s VAL 178 Cb 0.02 -2.39 -0.15 0.00 0.00 0.00 0.00 36.38 33.86 1j3g s VAL 178 CO 0.53 -0.13 1.69 0.41 0.00 0.00 0.00 175.10 177.60 1j3g n THR 179 N -4.29 0.29 -1.28 3.92 -1.04 -1.26 -4.78 114.28 105.84 1j3g n THR 179 Ca 0.06 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.78 1j3g n THR 179 Cb 0.55 -1.30 -0.10 0.00 -1.82 0.00 0.00 70.33 67.66 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 5.03 2.74 -3.66 -2.82 -0.04 -1.24 -4.67 135.00 130.34 1j3g n PRO 180 Ca 0.24 -1.83 -0.28 0.00 -0.04 0.00 0.00 63.50 61.59 1j3g n PRO 180 Cb 0.18 -2.27 0.01 0.00 -0.04 0.00 0.00 33.50 31.37 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 2.28 -4.24 -0.71 3.54 2.88 -1.26 -4.80 113.62 111.32 1j3g n SER 181 Ca 0.54 -0.61 -0.01 0.00 -1.33 0.00 0.00 58.87 57.46 1j3g n SER 181 Cb 0.62 -3.44 -0.01 0.00 -0.75 0.00 0.00 64.21 60.62 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 -2.55 -0.14 -3.22 -3.46 2.88 -1.26 -5.08 113.62 100.79 1j3g n SER 182 Ca 0.01 -1.51 -0.01 0.00 -1.33 0.00 0.00 58.87 56.03 1j3g n SER 182 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 -1.60 -0.22 0.66 5.04 -1.26 -5.13 115.29 112.78 1j3g s HIS 183 Ca 0.03 0.22 -0.14 0.00 -1.54 0.00 0.00 55.06 53.63 1j3g s HIS 183 Cb 0.04 0.24 0.07 0.00 0.04 0.00 0.00 32.58 32.96 1j3g s HIS 183 CO -0.02 -1.15 0.55 0.21 -2.34 0.00 0.00 174.74 172.00 1j3g s LYS 184 N 1.89 0.57 1.19 2.88 2.20 -1.26 -4.88 119.74 122.34 1j3g s LYS 184 Ca 0.16 0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 56.54 1j3g s LYS 184 Cb -0.06 0.11 0.28 0.00 -1.51 0.00 0.00 37.83 36.66 1j3g s LYS 184 CO -0.08 -0.14 1.12 -1.83 -0.36 0.00 0.00 175.35 174.06 1j3g s GLU 185 N 1.28 -1.14 1.06 4.03 1.03 -1.26 -5.06 118.70 118.64 1j3g s GLU 185 Ca -0.08 -0.10 -0.14 0.00 0.03 0.00 0.00 54.97 54.68 1j3g s GLU 185 Cb -0.06 -1.61 0.22 0.00 -0.80 0.00 0.00 34.13 31.88 1j3g s GLU 185 CO -0.13 -3.65 1.10 1.41 -1.33 0.00 0.00 175.26 172.65 1j3g s MET 186 N -5.45 -0.03 0.00 -4.83 -2.45 -1.26 -5.24 119.30 100.04 1j3g s MET 186 Ca 0.71 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 55.52 1j3g s MET 186 Cb -0.09 -1.70 0.00 0.00 1.25 0.00 0.00 34.83 34.29 1j3g s MET 186 CO 0.56 -3.01 0.00 2.41 1.05 0.00 0.00 175.02 176.03