#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g s LEU 2 N 0.00 4.53 -0.02 -0.89 2.96 -1.26 -5.04 118.68 118.96 1j3g s LEU 2 Ca 0.00 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1j3g s LEU 2 Cb 0.00 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.30 1j3g s LEU 2 CO 0.00 0.07 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 1j3g s LEU 3 N -0.53 1.76 -0.12 -0.68 1.02 -1.26 -2.69 118.68 116.17 1j3g s LEU 3 Ca 0.40 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.42 1j3g s LEU 3 Cb -0.23 -0.43 0.02 0.00 0.02 0.00 0.00 46.19 45.57 1j3g s LEU 3 CO 0.27 0.04 -0.16 -0.62 0.02 0.00 0.00 176.35 175.90 1j3g s ASP 4 N 0.23 2.61 -1.19 2.29 2.15 -0.23 -4.68 116.67 117.85 1j3g s ASP 4 Ca -0.03 -0.47 -0.05 0.00 0.43 0.00 0.00 52.55 52.42 1j3g s ASP 4 Cb -0.08 -1.17 0.04 0.00 -0.30 0.00 0.00 42.92 41.41 1j3g s ASP 4 CO 0.00 0.01 0.31 -0.62 -0.17 0.00 0.00 175.17 174.70 1j3g n GLU 5 N 4.34 -3.10 -0.28 4.34 -0.58 -1.26 -0.65 120.64 123.46 1j3g n GLU 5 Ca -0.19 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1j3g n GLU 5 Cb 0.51 -5.22 0.00 0.00 -0.57 0.00 0.00 31.44 26.16 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 -1.06 1.10 3.87 0.62 0.00 -1.26 -4.99 105.19 103.47 1j3g n GLY 6 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1j3g n GLY 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3g s TRP 7 N -2.15 3.54 -0.11 1.61 0.52 0.18 -4.90 118.94 117.63 1j3g s TRP 7 Ca 0.00 1.24 -0.30 0.00 0.02 0.00 0.00 56.10 57.06 1j3g s TRP 7 Cb 0.00 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 1j3g s TRP 7 CO 0.00 -0.44 1.10 -1.17 0.02 0.00 0.00 176.95 176.46 1j3g s LEU 8 N -4.56 4.24 0.97 2.99 1.98 -1.26 -1.07 118.68 121.96 1j3g s LEU 8 Ca 0.54 1.62 -0.16 0.00 -2.89 0.00 0.00 54.13 53.25 1j3g s LEU 8 Cb -0.10 -3.55 0.19 0.00 0.66 0.00 0.00 46.19 43.38 1j3g s LEU 8 CO 0.42 -0.54 1.26 0.00 -1.89 0.00 0.00 176.35 175.60 1j3g s ALA 9 N 2.31 2.04 -1.24 5.97 0.00 -1.10 -4.43 121.76 125.32 1j3g s ALA 9 Ca 0.51 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1j3g s ALA 9 Cb -0.20 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.10 1j3g s ALA 9 CO 0.18 -2.48 0.63 0.39 0.00 0.00 0.00 175.76 174.48 1j3g n GLU 10 N -3.84 -0.93 -3.64 0.00 1.02 -1.26 -4.94 120.64 107.06 1j3g n GLU 10 Ca 0.13 0.23 -0.15 0.00 -0.02 0.00 0.00 57.16 57.35 1j3g n GLU 10 Cb 0.60 -3.34 -0.08 0.00 -0.02 0.00 0.00 31.44 28.60 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3g s ALA 11 N -3.63 -1.39 -0.08 0.62 0.00 -1.26 -4.73 121.76 111.29 1j3g s ALA 11 Ca 0.40 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.22 1j3g s ALA 11 Cb -0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1j3g s ALA 11 CO 0.93 -0.31 1.25 0.50 0.00 0.00 0.00 175.76 178.14 1j3g s ARG 12 N -0.72 4.30 -0.15 0.00 6.06 0.08 -4.90 118.95 123.62 1j3g s ARG 12 Ca -0.08 1.72 -0.22 0.00 -2.50 0.00 0.00 55.73 54.65 1j3g s ARG 12 Cb -0.03 -3.63 -0.03 0.00 0.06 0.00 0.00 34.95 31.32 1j3g s ARG 12 CO 0.05 -0.55 0.68 -0.98 -2.50 0.00 0.00 175.30 172.00 1j3g s ARG 13 N 2.68 4.30 -0.47 5.12 3.03 -1.26 -1.12 118.95 131.22 1j3g s ARG 13 Ca 0.57 0.76 0.06 0.00 2.03 0.00 0.00 55.73 59.14 1j3g s ARG 13 Cb -0.25 -3.53 0.20 0.00 -1.03 0.00 0.00 34.95 30.34 1j3g s ARG 13 CO 0.20 -0.15 0.46 0.28 -1.13 0.00 0.00 175.30 174.96 1j3g n VAL 14 N 4.38 -0.28 -2.35 4.99 0.31 -0.49 -4.94 118.33 119.97 1j3g n VAL 14 Ca -0.01 -3.99 -0.42 0.00 -0.01 0.00 0.00 64.34 59.91 1j3g n VAL 14 Cb 0.50 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 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 -0.79 4.40 -0.09 5.55 0.04 -1.26 -4.30 135.00 138.55 1j3g s PRO 15 Ca 0.33 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.24 1j3g s PRO 15 Cb 0.08 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1j3g s PRO 15 CO -0.15 -0.31 -0.09 0.45 0.04 0.00 0.00 177.00 176.94 1j3g s SER 16 N 1.06 1.95 -0.53 6.66 0.15 -1.26 -5.04 113.70 116.68 1j3g s SER 16 Ca 0.60 -0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 1j3g s SER 16 Cb -0.32 -0.81 -0.11 0.00 -1.71 0.00 0.00 66.02 63.07 1j3g s SER 16 CO 0.30 -0.06 3.17 -0.81 1.20 0.00 0.00 173.24 177.04 1j3g n PRO 17 N 4.45 2.66 -2.48 5.44 -0.04 -1.26 -4.41 135.00 139.36 1j3g n PRO 17 Ca -0.17 -1.81 -0.23 0.00 -0.04 0.00 0.00 63.50 61.25 1j3g n PRO 17 Cb 0.51 -2.24 0.01 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.18 2.90 -1.41 0.54 -0.00 -1.26 -5.09 115.22 113.08 1j3g n HIS 18 Ca 0.53 -2.97 -0.30 0.00 0.46 0.00 0.00 57.72 55.44 1j3g n HIS 18 Cb 0.64 -0.16 0.22 0.00 -0.12 0.00 0.00 29.99 30.57 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 -3.47 0.84 0.52 1.57 1.51 -1.26 -4.45 117.35 112.61 1j3g s TYR 19 Ca 0.44 0.40 0.03 0.00 -1.01 0.00 0.00 57.07 56.93 1j3g s TYR 19 Cb 0.41 -3.73 0.01 0.00 -0.11 0.00 0.00 41.96 38.54 1j3g s TYR 19 CO -0.13 -3.44 0.20 -0.51 -1.11 0.00 0.00 175.55 170.56 1j3g s ASP 20 N -4.31 4.38 -0.25 2.29 1.11 -1.24 -4.85 116.67 113.80 1j3g s ASP 20 Ca 0.72 -1.44 -0.09 0.00 0.18 0.00 0.00 52.55 51.92 1j3g s ASP 20 Cb -0.07 0.44 0.11 0.00 1.07 0.00 0.00 42.92 44.47 1j3g s ASP 20 CO 0.55 -0.97 0.54 0.00 1.18 0.00 0.00 175.17 176.48 1j3g s ARG 22 N 2.58 0.45 -1.00 0.00 1.81 -1.26 -5.09 118.95 116.44 1j3g s ARG 22 Ca -0.05 -0.26 -0.22 0.00 -1.72 0.00 0.00 55.73 53.48 1j3g s ARG 22 Cb -0.11 -0.41 0.06 0.00 -0.45 0.00 0.00 34.95 34.04 1j3g s ARG 22 CO -0.16 0.11 1.39 -1.25 -0.68 0.00 0.00 175.30 174.71 1j3g s PRO 23 N -0.30 3.58 -0.16 3.54 0.04 -1.26 -4.81 135.00 135.63 1j3g s PRO 23 Ca 0.01 -1.21 -0.31 0.00 0.04 0.00 0.00 61.00 59.53 1j3g s PRO 23 Cb -0.03 -5.26 0.14 0.00 0.04 0.00 0.00 34.50 29.39 1j3g s PRO 23 CO -0.00 -2.13 1.09 -0.51 0.04 0.00 0.00 177.00 175.49 1j3g s ASP 24 N 4.73 -0.25 -0.27 6.66 1.01 -1.26 -4.97 116.67 122.31 1j3g s ASP 24 Ca 0.43 0.16 -0.00 0.00 0.71 0.00 0.00 52.55 53.85 1j3g s ASP 24 Cb -0.01 0.23 0.15 0.00 1.01 0.00 0.00 42.92 44.30 1j3g s ASP 24 CO -0.09 -0.31 0.39 -1.81 0.21 0.00 0.00 175.17 173.55 1j3g s ASP 25 N -1.63 0.40 0.09 0.27 1.01 -1.26 -5.09 116.67 110.46 1j3g s ASP 25 Ca 0.04 -0.12 0.01 0.00 0.71 0.00 0.00 52.55 53.20 1j3g s ASP 25 Cb -0.01 1.07 -0.04 0.00 1.01 0.00 0.00 42.92 44.95 1j3g s ASP 25 CO -0.04 -0.33 -0.06 -0.70 0.21 0.00 0.00 175.17 174.26 1j3g s GLU 26 N 2.53 0.78 0.03 8.23 2.56 -1.26 -5.13 118.70 126.45 1j3g s GLU 26 Ca 0.11 -1.30 -0.30 0.00 0.00 0.00 0.00 54.97 53.48 1j3g s GLU 26 Cb -0.14 -0.11 -0.08 0.00 2.00 0.00 0.00 34.13 35.80 1j3g s GLU 26 CO -0.24 -0.04 1.66 1.21 -0.56 0.00 0.00 175.26 177.30 1j3g s ASN 27 N -2.98 6.62 -0.64 -1.70 2.47 -1.26 -4.93 114.94 112.51 1j3g s ASN 27 Ca 0.10 2.42 -0.27 0.00 0.42 0.00 0.00 52.86 55.53 1j3g s ASN 27 Cb 0.06 -2.55 0.03 0.00 -1.45 0.00 0.00 41.25 37.33 1j3g s ASN 27 CO -0.06 -0.90 1.21 -2.16 -3.72 0.00 0.00 177.10 171.48 1j3g s PRO 28 N 3.08 3.37 -0.43 0.43 0.04 -1.25 -4.82 135.00 135.42 1j3g s PRO 28 Ca 0.74 0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.82 1j3g s PRO 28 Cb -0.38 -4.08 0.23 0.00 0.04 0.00 0.00 34.50 30.31 1j3g s PRO 28 CO 0.32 -1.86 0.99 0.45 0.04 0.00 0.00 177.00 176.93 1j3g n SER 29 N 8.77 -2.33 -3.73 6.66 2.88 -1.26 -4.39 113.62 120.21 1j3g n SER 29 Ca 0.06 -2.37 -0.12 0.00 -1.33 0.00 0.00 58.87 55.10 1j3g n SER 29 Cb 0.49 1.31 -0.11 0.00 -0.75 0.00 0.00 64.21 65.15 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 0.12 0.40 -0.02 2.46 0.20 -1.26 -3.86 118.68 116.72 1j3g s LEU 30 Ca 0.28 0.71 -0.22 0.00 0.69 0.00 0.00 54.13 55.60 1j3g s LEU 30 Cb 0.15 1.13 -0.05 0.00 -0.43 0.00 0.00 46.19 47.00 1j3g s LEU 30 CO -0.13 -0.15 0.65 -0.22 -0.29 0.00 0.00 176.35 176.21 1j3g s LEU 31 N 0.76 4.38 -0.07 -0.68 2.96 -0.93 -3.37 118.68 121.74 1j3g s LEU 31 Ca -0.05 1.20 -0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1j3g s LEU 31 Cb -0.06 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1j3g s LEU 31 CO -0.05 0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 174.33 1j3g s VAL 32 N 0.19 4.54 -0.08 1.68 1.01 -1.21 -2.55 120.40 123.98 1j3g s VAL 32 Ca 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1j3g s VAL 32 Cb -0.18 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1j3g s VAL 32 CO 0.18 0.53 0.01 -0.69 0.00 0.00 0.00 175.10 175.14 1j3g s VAL 33 N -0.98 0.32 -0.28 2.92 1.01 0.02 -4.24 120.40 119.18 1j3g s VAL 33 Ca 0.16 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 1j3g s VAL 33 Cb -0.12 -0.54 0.18 0.00 0.00 0.00 0.00 36.38 35.90 1j3g s VAL 33 CO 0.06 0.20 1.31 -1.38 0.00 0.00 0.00 175.10 175.29 1j3g s HIS 34 N 1.99 -0.14 -0.41 5.22 -3.43 -1.26 -3.78 115.29 113.49 1j3g s HIS 34 Ca 0.04 0.29 -0.27 0.00 -0.80 0.00 0.00 55.06 54.32 1j3g s HIS 34 Cb -0.13 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.51 1j3g s HIS 34 CO -0.05 -0.09 1.03 1.21 -2.00 0.00 0.00 174.74 174.83 1j3g s ASN 35 N -0.44 6.69 0.42 7.38 2.47 -1.26 -3.86 114.94 126.34 1j3g s ASN 35 Ca 0.06 0.57 0.03 0.00 0.42 0.00 0.00 52.86 53.94 1j3g s ASN 35 Cb -0.03 -2.51 -0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1j3g s ASN 35 CO -0.10 -1.02 0.09 -0.63 -3.72 0.00 0.00 177.10 171.72 1j3g s ILE 36 N 3.87 0.83 -0.29 -5.21 -1.09 -1.11 -4.93 121.20 113.27 1j3g s ILE 36 Ca 0.43 -2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 56.73 1j3g s ILE 36 Cb -0.10 -2.38 0.11 0.00 -1.58 0.00 0.00 42.46 38.52 1j3g s ILE 36 CO 0.23 0.00 0.65 -0.55 -1.23 0.00 0.00 174.94 174.04 1j3g s SER 37 N -3.66 -1.05 0.15 3.58 0.15 -1.26 -1.52 113.70 110.09 1j3g s SER 37 Ca 0.22 1.53 0.00 0.00 0.70 0.00 0.00 55.95 58.39 1j3g s SER 37 Cb 0.03 2.01 0.00 0.00 -1.71 0.00 0.00 66.02 66.35 1j3g s SER 37 CO 0.12 -0.23 0.00 -0.11 1.20 0.00 0.00 173.24 174.23 1j3g n LEU 38 N 5.13 -0.35 -4.94 3.45 -0.00 -1.26 -5.03 117.00 114.00 1j3g n LEU 38 Ca -0.14 0.27 -0.24 0.00 -0.00 0.00 0.00 56.01 55.89 1j3g n LEU 38 Cb 0.52 0.47 0.01 0.00 -0.00 0.00 0.00 43.42 44.41 1j3g n LEU 38 CO -0.03 -0.57 0.33 -2.16 -0.00 0.00 0.00 177.39 174.96 1j3g s PRO 39 N -1.47 3.18 -1.30 1.96 0.04 -1.26 -4.63 135.00 131.53 1j3g s PRO 39 Ca 0.00 -0.28 -0.17 0.00 0.04 0.00 0.00 61.00 60.60 1j3g s PRO 39 Cb 0.00 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1j3g s PRO 39 CO 0.00 -0.26 2.06 -0.35 0.04 0.00 0.00 177.00 178.48 1j3g n PRO 40 N -2.14 2.64 0.00 0.56 -0.04 -1.26 -4.77 135.00 129.99 1j3g n PRO 40 Ca 0.01 -2.62 0.00 0.00 -0.04 0.00 0.00 63.50 60.85 1j3g n PRO 40 Cb 0.57 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1j3g n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 41 N 4.55 -0.73 3.50 0.55 0.00 -1.26 -4.96 105.19 106.83 1j3g n GLY 41 Ca 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 1j3g n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 42 N -1.23 0.51 -0.02 1.61 2.02 -1.26 -5.14 118.70 115.18 1j3g s GLU 42 Ca 0.00 1.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 1j3g s GLU 42 Cb 0.00 0.50 0.10 0.00 0.10 0.00 0.00 34.13 34.83 1j3g s GLU 42 CO 0.00 -0.20 1.29 -0.06 0.02 0.00 0.00 175.26 176.31 1j3g s PHE 43 N 2.45 0.01 -0.18 1.61 0.08 -1.26 -5.05 117.98 115.64 1j3g s PHE 43 Ca -0.06 -0.12 0.16 0.00 0.12 0.00 0.00 56.93 57.03 1j3g s PHE 43 Cb -0.10 0.55 0.40 0.00 -0.57 0.00 0.00 43.02 43.30 1j3g s PHE 43 CO -0.17 -0.25 1.28 0.41 -0.10 0.00 0.00 175.22 176.39 1j3g n GLY 44 N -0.82 4.72 3.62 4.36 0.00 -1.26 -5.04 105.19 110.76 1j3g n GLY 44 Ca 0.01 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.65 1.77 0.44 -0.02 0.00 -1.26 -4.96 107.32 100.65 1j3g s GLY 45 Ca 0.37 -0.47 0.29 0.00 0.00 0.00 0.00 44.72 44.91 1j3g s GLY 45 CO 0.02 1.55 1.86 -0.56 0.00 0.00 0.00 173.10 175.97 1j3g h PRO 46 N 8.02 0.00 -0.86 2.90 0.13 -2.02 -2.96 132.00 137.21 1j3g h PRO 46 Ca -0.26 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.02 1j3g h PRO 46 Cb 1.11 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 1j3g h PRO 46 CO 0.81 0.00 0.56 -1.49 -0.23 0.00 0.00 178.00 177.66 1j3g h TRP 47 N 0.00 0.72 -0.35 1.56 4.06 -1.98 -0.94 115.95 119.02 1j3g h TRP 47 Ca 0.00 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 1j3g h TRP 47 Cb 0.54 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1j3g h TRP 47 CO 0.00 0.26 0.04 0.82 -3.56 0.00 0.00 178.44 176.00 1j3g h ILE 48 N 0.61 1.24 0.16 1.49 2.04 -1.78 -1.72 117.51 119.55 1j3g h ILE 48 Ca 0.43 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1j3g h ILE 48 Cb 0.79 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1j3g h ILE 48 CO -0.19 0.29 -0.08 -0.78 0.00 0.00 0.00 178.15 177.40 1j3g h ASP 49 N 0.42 -0.18 -0.92 1.72 3.58 -1.54 -3.23 116.42 116.27 1j3g h ASP 49 Ca 0.11 -0.23 0.23 0.00 0.42 0.00 0.00 57.03 57.55 1j3g h ASP 49 Cb 0.38 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.41 1j3g h ASP 49 CO 0.01 0.14 0.62 0.00 -2.88 0.00 0.00 179.24 177.13 1j3g h ALA 50 N 0.27 2.35 0.76 -0.78 0.00 -1.11 0.47 119.26 121.21 1j3g h ALA 50 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1j3g h ALA 50 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1j3g h ALA 50 CO 0.04 -0.65 -0.36 1.25 0.00 0.00 0.00 179.25 179.52 1j3g h LEU 51 N 0.32 -0.86 -0.36 0.00 7.12 -1.33 -0.67 115.31 119.52 1j3g h LEU 51 Ca 0.48 0.03 -0.18 0.00 0.13 0.00 0.00 57.88 58.34 1j3g h LEU 51 Cb 1.34 0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.69 1j3g h LEU 51 CO -0.16 -0.56 -0.51 -0.26 -0.13 0.00 0.00 178.44 176.82 1j3g h PHE 52 N -1.13 1.05 -0.41 1.25 -1.00 -1.32 -3.01 116.94 112.36 1j3g h PHE 52 Ca -0.10 -0.36 -0.09 0.00 2.81 0.00 0.00 57.97 60.23 1j3g h PHE 52 Cb 0.78 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1j3g h PHE 52 CO 0.03 1.17 -0.10 0.00 -1.61 0.00 0.00 178.31 177.80 1j3g h THR 53 N 0.66 1.25 0.00 -1.55 1.03 -1.07 -3.48 112.91 109.74 1j3g h THR 53 Ca 0.02 -1.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.30 1j3g h THR 53 Cb 1.11 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1j3g h THR 53 CO 0.11 0.38 0.00 0.61 -0.01 0.00 0.00 175.52 176.62 1j3g n GLY 54 N -0.50 0.74 0.58 2.99 0.00 -0.37 -5.00 105.19 103.63 1j3g n GLY 54 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -1.41 0.38 -1.80 2.61 -2.24 -0.53 -4.94 114.28 106.34 1j3g n THR 55 Ca 0.00 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1j3g n THR 55 Cb 0.00 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1j3g n THR 55 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1j3g s ILE 56 N -1.62 2.37 -0.13 2.28 2.07 -0.89 -5.00 121.20 120.28 1j3g s ILE 56 Ca 0.25 0.17 -0.09 0.00 -1.41 0.00 0.00 60.65 59.57 1j3g s ILE 56 Cb 0.13 -3.11 -0.04 0.00 0.13 0.00 0.00 42.46 39.56 1j3g s ILE 56 CO 0.18 0.01 0.18 -0.62 -1.91 0.00 0.00 174.94 172.78 1j3g s ASP 57 N 1.60 6.39 -1.15 4.50 2.15 -1.26 -4.79 116.67 124.11 1j3g s ASP 57 Ca 0.75 0.46 -0.23 0.00 0.43 0.00 0.00 52.55 53.96 1j3g s ASP 57 Cb -0.47 -2.11 -0.10 0.00 -0.30 0.00 0.00 42.92 39.95 1j3g s ASP 57 CO 0.33 0.31 1.93 -0.81 -0.17 0.00 0.00 175.17 176.76 1j3g n PRO 58 N 2.53 1.56 -0.07 4.34 -0.04 -1.26 -4.61 135.00 137.45 1j3g n PRO 58 Ca -0.17 -2.40 -0.08 0.00 -0.04 0.00 0.00 63.50 60.81 1j3g n PRO 58 Cb 0.54 -3.67 -0.03 0.00 -0.04 0.00 0.00 33.50 30.30 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 13.95 1.79 -0.12 3.54 2.85 -1.26 -4.53 115.26 131.47 1j3g n ASN 59 Ca 0.45 0.30 -0.05 0.00 -0.11 0.00 0.00 54.58 55.17 1j3g n ASN 59 Cb 0.46 -0.68 0.03 0.00 1.24 0.00 0.00 39.78 40.84 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 -0.85 0.47 -2.33 5.20 0.00 -2.05 -3.47 119.26 116.23 1j3g h ALA 60 Ca 0.00 0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1j3g h ALA 60 Cb 0.84 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1j3g h ALA 60 CO 0.00 -0.27 0.69 -3.38 0.00 0.00 0.00 179.25 176.30 1j3g s HIS 61 N -6.15 0.04 0.06 0.00 -3.43 -1.26 -5.08 115.29 99.47 1j3g s HIS 61 Ca -0.13 -0.33 -0.17 0.00 -0.80 0.00 0.00 55.06 53.63 1j3g s HIS 61 Cb 0.13 0.65 -0.14 0.00 -1.43 0.00 0.00 32.58 31.78 1j3g s HIS 61 CO 0.72 -0.68 1.31 -1.00 -2.00 0.00 0.00 174.74 173.09 1j3g h PRO 62 N 2.00 0.57 -0.77 -0.38 0.13 -1.91 -3.37 132.00 128.27 1j3g h PRO 62 Ca -0.26 -0.38 0.15 0.00 -0.87 0.00 0.00 66.00 64.64 1j3g h PRO 62 Cb 1.21 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.25 1j3g h PRO 62 CO 0.34 1.00 -0.23 -0.92 -0.23 0.00 0.00 178.00 177.95 1j3g h TYR 63 N 0.23 -0.54 0.39 1.56 3.20 -1.98 0.63 116.97 120.46 1j3g h TYR 63 Ca 0.00 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1j3g h TYR 63 Cb 1.00 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 1j3g h TYR 63 CO 0.10 -0.35 -0.46 0.35 -1.64 0.00 0.00 178.16 176.16 1j3g h PHE 64 N -0.03 -1.26 -0.51 -3.82 3.57 -1.97 -1.31 116.94 111.61 1j3g h PHE 64 Ca 0.35 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 1j3g h PHE 64 Cb 0.57 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1j3g h PHE 64 CO -0.64 -0.60 0.18 0.00 -2.23 0.00 0.00 178.31 175.02 1j3g h ALA 65 N -0.59 0.67 0.19 2.41 0.00 -1.72 -3.17 119.26 117.06 1j3g h ALA 65 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1j3g h ALA 65 Cb 0.79 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1j3g h ALA 65 CO -0.11 0.30 -0.44 0.78 0.00 0.00 0.00 179.25 179.79 1j3g h GLY 66 N 0.70 -1.18 1.01 0.00 0.00 -0.48 -3.09 103.07 100.02 1j3g h GLY 66 Ca 0.17 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 48.11 1j3g h GLY 66 CO -0.01 -0.31 0.46 0.16 0.00 0.00 0.00 176.54 176.84 1j3g h ILE 67 N -0.70 1.21 -0.98 2.60 -0.00 -1.34 -3.29 117.51 115.01 1j3g h ILE 67 Ca -0.02 -0.45 0.33 0.00 -0.00 0.00 0.00 64.86 64.72 1j3g h ILE 67 Cb 0.67 0.15 -0.18 0.00 -0.00 0.00 0.00 36.82 37.46 1j3g h ILE 67 CO -0.19 0.22 0.24 0.00 -0.00 0.00 0.00 178.15 178.41 1j3g n ALA 68 N -2.33 0.72 -0.02 0.16 0.00 -1.17 -0.76 120.51 117.12 1j3g n ALA 68 Ca 0.07 1.03 0.03 0.00 0.00 0.00 0.00 53.44 54.57 1j3g n ALA 68 Cb 0.05 -0.87 0.40 0.00 0.00 0.00 0.00 19.45 19.03 1j3g n ALA 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j3g h HIS 69 N 0.00 0.55 -3.48 0.00 3.86 -1.68 -3.38 115.15 111.01 1j3g h HIS 69 Ca 0.70 0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 59.38 1j3g h HIS 69 Cb 1.65 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.90 1j3g h HIS 69 CO -0.29 0.36 0.21 -0.51 0.86 0.00 0.00 177.93 178.56 1j3g s LEU 70 N -9.48 4.50 0.44 2.43 1.02 0.06 -5.00 118.68 112.64 1j3g s LEU 70 Ca -0.08 1.57 -0.23 0.00 0.02 0.00 0.00 54.13 55.40 1j3g s LEU 70 Cb 0.17 -3.32 -0.10 0.00 0.02 0.00 0.00 46.19 42.96 1j3g s LEU 70 CO 0.74 0.05 0.98 -2.11 0.02 0.00 0.00 176.35 176.02 1j3g n ARG 71 N 2.50 1.26 -4.38 1.70 0.00 -1.26 -4.94 116.66 111.54 1j3g n ARG 71 Ca -0.02 0.46 -0.24 0.00 -0.00 0.00 0.00 57.85 58.04 1j3g n ARG 71 Cb 0.50 -2.03 -0.09 0.00 -0.00 0.00 0.00 32.46 30.84 1j3g n ARG 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j3g s VAL 72 N -1.32 2.75 -0.30 8.89 -7.23 -1.26 -4.94 120.40 116.99 1j3g s VAL 72 Ca 0.65 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 1j3g s VAL 72 Cb -0.54 -2.65 0.18 0.00 0.56 0.00 0.00 36.38 33.93 1j3g s VAL 72 CO 0.56 -0.30 1.20 -0.44 -0.31 0.00 0.00 175.10 175.80 1j3g s SER 73 N -3.64 -0.19 0.50 4.85 0.01 -1.04 -4.65 113.70 109.55 1j3g s SER 73 Ca 0.32 0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.79 1j3g s SER 73 Cb -0.03 1.18 0.08 0.00 0.21 0.00 0.00 66.02 67.46 1j3g s SER 73 CO 0.18 -0.04 0.62 0.00 0.41 0.00 0.00 173.24 174.41 1j3g n ALA 74 N 5.13 0.53 -0.63 1.44 0.00 -1.26 -1.48 120.51 124.24 1j3g n ALA 74 Ca -0.08 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1j3g n ALA 74 Cb 0.55 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -2.11 0.00 -4.07 0.00 8.25 -1.26 -4.61 115.22 111.42 1j3g n HIS 75 Ca 0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.24 1j3g n HIS 75 Cb 0.41 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.37 1j3g n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3g s LEU 77 N 1.30 4.45 -0.37 0.00 2.96 -0.08 -0.44 118.68 126.50 1j3g s LEU 77 Ca 0.03 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 53.09 1j3g s LEU 77 Cb -0.14 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.50 1j3g s LEU 77 CO -0.10 -0.28 0.52 -0.63 -1.32 0.00 0.00 176.35 174.54 1j3g s ILE 78 N 1.62 5.00 0.41 6.68 -1.09 -0.90 -0.59 121.20 132.34 1j3g s ILE 78 Ca 0.04 0.20 -0.24 0.00 -2.23 0.00 0.00 60.65 58.42 1j3g s ILE 78 Cb -0.18 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.62 1j3g s ILE 78 CO 0.08 -0.29 1.14 -0.60 -1.23 0.00 0.00 174.94 174.03 1j3g s ARG 79 N 2.40 4.02 0.25 2.79 6.06 0.22 -0.99 118.95 133.70 1j3g s ARG 79 Ca 0.18 1.76 0.14 0.00 -2.50 0.00 0.00 55.73 55.31 1j3g s ARG 79 Cb -0.15 -2.59 0.79 0.00 0.06 0.00 0.00 34.95 33.05 1j3g s ARG 79 CO 0.14 -0.33 1.40 2.89 -2.50 0.00 0.00 175.30 176.90 1j3g n ARG 80 N -0.07 0.09 -0.58 5.12 -4.01 -1.09 -1.57 116.66 114.56 1j3g n ARG 80 Ca 0.05 0.57 -0.07 0.00 -1.04 0.00 0.00 57.85 57.36 1j3g n ARG 80 Cb 0.47 -1.91 0.13 0.00 -3.04 0.00 0.00 32.46 28.11 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1j3g n ASP 81 N -2.02 3.41 -2.15 2.89 2.03 -1.26 -3.92 116.55 115.53 1j3g n ASP 81 Ca -0.01 -2.72 -0.19 0.00 0.52 0.00 0.00 54.79 52.38 1j3g n ASP 81 Cb 0.12 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 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 -0.14 -0.23 3.94 0.27 0.00 -0.61 -5.02 105.19 103.40 1j3g n GLY 82 Ca 0.26 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1j3g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 83 N -4.85 3.41 -0.24 1.61 2.02 -1.17 -4.79 118.70 114.69 1j3g s GLU 83 Ca 0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 1j3g s GLU 83 Cb 0.00 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.33 1j3g s GLU 83 CO 0.00 0.49 -0.08 0.42 0.02 0.00 0.00 175.26 176.12 1j3g s ILE 84 N -1.81 2.76 -0.02 -1.63 1.01 -1.26 -0.61 121.20 119.64 1j3g s ILE 84 Ca 0.34 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1j3g s ILE 84 Cb -0.10 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1j3g s ILE 84 CO 0.28 0.24 -0.07 -0.69 0.00 0.00 0.00 174.94 174.70 1j3g s VAL 85 N 1.31 3.64 -0.17 2.92 1.01 0.24 -0.74 120.40 128.61 1j3g s VAL 85 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1j3g s VAL 85 Cb -0.16 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1j3g s VAL 85 CO -0.05 0.45 -0.20 -1.58 0.00 0.00 0.00 175.10 173.72 1j3g s GLN 86 N -1.24 2.92 -0.23 2.72 -0.44 -0.28 -0.90 119.66 122.21 1j3g s GLN 86 Ca 0.16 -0.81 -0.02 0.00 -2.50 0.00 0.00 55.36 52.19 1j3g s GLN 86 Cb -0.11 -2.49 0.01 0.00 -1.64 0.00 0.00 33.01 28.78 1j3g s GLN 86 CO 0.06 -0.18 -0.07 0.71 0.50 0.00 0.00 175.29 176.31 1j3g s TYR 87 N 1.22 2.99 -0.17 1.67 2.02 0.41 -1.39 117.35 124.10 1j3g s TYR 87 Ca 0.03 -1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 55.39 1j3g s TYR 87 Cb -0.13 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1j3g s TYR 87 CO -0.11 -0.67 0.03 0.28 -1.57 0.00 0.00 175.55 173.51 1j3g n VAL 88 N 4.72 -8.18 -0.33 0.71 0.31 -1.26 -4.18 118.33 110.11 1j3g n VAL 88 Ca -0.18 1.22 -0.25 0.00 -0.01 0.00 0.00 64.34 65.12 1j3g n VAL 88 Cb 0.49 -5.66 0.24 0.00 -0.91 0.00 0.00 33.84 27.99 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 0.54 -4.11 0.00 5.55 -0.04 -1.26 -4.81 135.00 130.88 1j3g n PRO 89 Ca -0.05 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1j3g n PRO 89 Cb 0.08 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -5.19 0.00 -3.58 0.54 3.01 -1.26 -4.58 117.46 106.41 1j3g n PHE 90 Ca 0.12 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.44 1j3g n PHE 90 Cb 0.50 -0.10 -0.12 0.00 -0.01 0.00 0.00 39.48 39.74 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 1.01 0.60 0.00 4.37 2.15 -1.26 -5.00 116.67 118.53 1j3g s ASP 91 Ca 0.00 0.34 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1j3g s ASP 91 Cb 0.00 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1j3g s ASP 91 CO 0.00 -0.27 0.00 1.17 -0.17 0.00 0.00 175.17 175.90 1j3g n LYS 92 N 5.35 0.00 -0.81 4.34 4.81 -1.26 -5.05 118.16 125.53 1j3g n LYS 92 Ca -0.06 0.42 -0.29 0.00 -0.87 0.00 0.00 58.31 57.51 1j3g n LYS 92 Cb 0.50 -1.17 0.03 0.00 0.02 0.00 0.00 35.03 34.41 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 -0.33 0.00 -3.85 1.64 0.63 -1.26 -4.83 116.66 108.66 1j3g n ARG 93 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 1j3g n ARG 93 Cb 0.00 -0.80 -0.02 0.00 0.45 0.00 0.00 32.46 32.09 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3g n ALA 94 N -1.93 0.63 -3.60 5.13 0.00 -1.26 -3.71 120.51 115.77 1j3g n ALA 94 Ca -0.01 -1.99 -0.05 0.00 0.00 0.00 0.00 53.44 51.38 1j3g n ALA 94 Cb 0.44 0.91 -0.07 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.50 -1.03 -0.47 0.00 -0.00 -0.55 -4.64 118.94 109.76 1j3g s TRP 95 Ca 0.19 1.74 0.06 0.00 -0.00 0.00 0.00 56.10 58.09 1j3g s TRP 95 Cb -0.01 0.46 0.30 0.00 -0.00 0.00 0.00 33.47 34.21 1j3g s TRP 95 CO 0.12 -0.58 1.04 -2.39 -0.00 0.00 0.00 176.95 175.13 1j3g n HIS 96 N 5.41 -2.96 0.17 5.86 1.44 -1.25 -2.49 115.22 121.39 1j3g n HIS 96 Ca -0.09 -2.05 0.00 0.00 -2.01 0.00 0.00 57.72 53.57 1j3g n HIS 96 Cb 0.49 1.57 0.00 0.00 0.12 0.00 0.00 29.99 32.18 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 0.76 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.67 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 -1.39 0.63 3.08 0.00 0.00 -1.26 -4.92 105.19 101.33 1j3g n GLY 98 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1j3g n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3g s VAL 99 N 0.00 1.22 0.13 1.61 1.01 -1.26 -3.96 120.40 119.15 1j3g s VAL 99 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 1j3g s VAL 99 Cb 0.00 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1j3g s VAL 99 CO 0.00 0.36 0.62 -0.94 0.00 0.00 0.00 175.10 175.15 1j3g s SER 100 N 0.25 -0.57 -0.06 3.32 1.04 -1.23 -4.79 113.70 111.66 1j3g s SER 100 Ca -0.07 0.07 -0.18 0.00 0.48 0.00 0.00 55.95 56.25 1j3g s SER 100 Cb -0.12 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1j3g s SER 100 CO 0.02 -0.92 0.41 -0.94 0.98 0.00 0.00 173.24 172.79 1j3g s SER 101 N -2.59 -0.35 -0.07 7.02 1.04 -1.26 -0.23 113.70 117.26 1j3g s SER 101 Ca 0.00 0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1j3g s SER 101 Cb -0.01 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1j3g s SER 101 CO -0.11 -0.39 0.30 -0.47 0.98 0.00 0.00 173.24 173.56 1j3g s TYR 102 N -0.85 -0.25 -1.34 5.02 5.04 -0.85 -4.33 117.35 119.78 1j3g s TYR 102 Ca -0.09 0.55 -0.14 0.00 -2.44 0.00 0.00 57.07 54.95 1j3g s TYR 102 Cb -0.04 0.10 0.02 0.00 0.35 0.00 0.00 41.96 42.39 1j3g s TYR 102 CO 0.04 -0.27 0.26 1.04 -1.34 0.00 0.00 175.55 175.28 1j3g n GLN 103 N 2.13 -0.66 -2.26 4.97 6.02 -1.26 -1.48 117.38 124.84 1j3g n GLN 103 Ca -0.17 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.67 1j3g n GLN 103 Cb 0.57 -2.93 -0.02 0.00 1.02 0.00 0.00 30.24 28.88 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 -2.32 -0.09 2.89 1.08 0.00 -1.26 -4.98 105.19 100.51 1j3g n GLY 104 Ca -0.23 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.81 1.40 0.23 1.61 3.52 -0.55 -5.11 118.95 115.24 1j3g s ARG 105 Ca 0.00 -0.61 -0.25 0.00 -0.13 0.00 0.00 55.73 54.74 1j3g s ARG 105 Cb 0.00 -2.15 -0.09 0.00 -1.56 0.00 0.00 34.95 31.15 1j3g s ARG 105 CO 0.00 -0.49 0.83 -2.00 -0.81 0.00 0.00 175.30 172.83 1j3g s GLU 106 N 1.60 4.55 -0.28 5.12 2.12 -1.26 -2.01 118.70 128.53 1j3g s GLU 106 Ca -0.01 1.18 -0.10 0.00 0.36 0.00 0.00 54.97 56.41 1j3g s GLU 106 Cb -0.16 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1j3g s GLU 106 CO -0.07 0.46 0.15 1.03 -0.54 0.00 0.00 175.26 176.28 1j3g s ARG 107 N -1.54 3.67 0.40 4.30 0.52 0.68 -4.96 118.95 122.01 1j3g s ARG 107 Ca 0.41 -0.49 0.22 0.00 -0.52 0.00 0.00 55.73 55.35 1j3g s ARG 107 Cb -0.21 -3.55 0.61 0.00 0.52 0.00 0.00 34.95 32.33 1j3g s ARG 107 CO 0.25 -0.26 1.69 0.00 0.02 0.00 0.00 175.30 177.00 1j3g s ASN 109 N -6.26 0.64 -1.16 0.00 0.01 -1.25 -4.70 114.94 102.22 1j3g s ASN 109 Ca 0.02 -1.38 -0.09 0.00 -0.71 0.00 0.00 52.86 50.70 1j3g s ASN 109 Cb 0.09 0.58 0.24 0.00 0.41 0.00 0.00 41.25 42.57 1j3g s ASN 109 CO 0.67 -1.16 1.39 -0.67 -1.51 0.00 0.00 177.10 175.82 1j3g n ASP 110 N -0.99 5.57 -2.13 -1.22 -0.08 -1.26 -4.83 116.55 111.60 1j3g n ASP 110 Ca 0.01 -3.11 -0.20 0.00 -1.51 0.00 0.00 54.79 49.99 1j3g n ASP 110 Cb 0.62 -1.42 -0.03 0.00 2.34 0.00 0.00 41.12 42.64 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1j3g n PHE 111 N 3.38 1.33 -3.81 -0.67 1.16 -1.26 -4.21 117.46 113.37 1j3g n PHE 111 Ca 0.30 -1.86 -0.17 0.00 -1.87 0.00 0.00 57.45 53.85 1j3g n PHE 111 Cb 0.38 -1.18 -0.17 0.00 -1.61 0.00 0.00 39.48 36.91 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N 0.53 0.54 -1.02 5.98 0.01 -1.26 -3.97 113.70 114.51 1j3g s SER 112 Ca 0.45 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.64 1j3g s SER 112 Cb 0.30 -0.17 -0.14 0.00 0.21 0.00 0.00 66.02 66.22 1j3g s SER 112 CO -0.10 -0.15 3.04 0.00 0.41 0.00 0.00 173.24 176.45 1j3g n ILE 113 N 4.47 3.65 0.00 1.44 0.00 -1.26 -4.81 119.36 122.84 1j3g n ILE 113 Ca -0.21 -2.08 0.00 0.00 0.00 0.00 0.00 62.75 60.46 1j3g n ILE 113 Cb 0.50 -2.36 0.00 0.00 0.00 0.00 0.00 39.64 37.78 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 3.25 1.02 3.18 4.50 0.00 -1.22 -4.83 105.19 111.09 1j3g n GLY 114 Ca 0.63 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1j3g n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3g s ILE 115 N 1.20 0.13 -0.11 -0.61 -1.09 -1.26 -4.23 121.20 115.22 1j3g s ILE 115 Ca 0.00 -1.72 -0.04 0.00 -2.23 0.00 0.00 60.65 56.67 1j3g s ILE 115 Cb 0.00 -1.82 0.06 0.00 -1.58 0.00 0.00 42.46 39.12 1j3g s ILE 115 CO 0.00 -0.57 0.18 -0.70 -1.23 0.00 0.00 174.94 172.61 1j3g s GLU 116 N -3.99 0.07 -0.03 2.79 2.12 0.41 -3.32 118.70 116.75 1j3g s GLU 116 Ca 0.17 0.48 -0.25 0.00 0.36 0.00 0.00 54.97 55.74 1j3g s GLU 116 Cb 0.07 -0.49 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 1j3g s GLU 116 CO -0.02 -0.38 0.75 -0.51 -0.54 0.00 0.00 175.26 174.56 1j3g s LEU 117 N 2.30 4.36 0.02 2.70 2.01 -1.25 -2.13 118.68 126.69 1j3g s LEU 117 Ca 0.04 1.32 0.01 0.00 0.01 0.00 0.00 54.13 55.50 1j3g s LEU 117 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 46.19 42.85 1j3g s LEU 117 CO -0.07 -0.11 0.09 -0.70 1.01 0.00 0.00 176.35 176.57 1j3g s GLU 118 N 0.63 3.04 0.30 1.70 2.12 -0.16 -2.77 118.70 123.57 1j3g s GLU 118 Ca 0.40 -0.54 -0.14 0.00 0.36 0.00 0.00 54.97 55.05 1j3g s GLU 118 Cb -0.19 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1j3g s GLU 118 CO 0.21 0.62 0.62 0.20 -0.54 0.00 0.00 175.26 176.37 1j3g s GLY 119 N -1.97 0.47 -0.23 -1.50 0.00 -0.58 -2.65 107.32 100.86 1j3g s GLY 119 Ca 0.26 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 1j3g s GLY 119 CO 0.17 -0.46 0.30 -0.51 0.00 0.00 0.00 173.10 172.60 1j3g s THR 120 N -3.44 -0.46 -1.57 0.90 -4.23 -1.26 -4.43 115.64 101.14 1j3g s THR 120 Ca 0.19 -0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 1j3g s THR 120 Cb -0.03 -0.77 0.07 0.00 1.34 0.00 0.00 72.50 73.11 1j3g s THR 120 CO 0.11 -0.19 0.43 -0.67 -0.54 0.00 0.00 174.62 173.76 1j3g n ASP 121 N 5.34 -0.95 -3.76 3.99 2.03 -1.26 -1.99 116.55 119.96 1j3g n ASP 121 Ca -0.04 -1.10 -0.29 0.00 0.52 0.00 0.00 54.79 53.88 1j3g n ASP 121 Cb 0.50 -2.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.44 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 -4.41 -1.40 -2.18 5.18 -2.24 -1.26 -4.96 114.28 103.01 1j3g n THR 122 Ca -0.17 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 1j3g n THR 122 Cb 0.61 -2.22 -0.00 0.00 -2.10 0.00 0.00 70.33 66.62 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -6.97 3.97 -0.29 3.22 2.96 -0.84 -4.83 118.68 115.90 1j3g s LEU 123 Ca 0.58 2.37 -0.26 0.00 -0.22 0.00 0.00 54.13 56.60 1j3g s LEU 123 Cb -0.30 -4.26 -0.11 0.00 0.50 0.00 0.00 46.19 42.01 1j3g s LEU 123 CO 0.71 -1.04 1.10 0.00 -1.32 0.00 0.00 176.35 175.81 1j3g n ALA 124 N -0.61 -0.26 1.05 5.97 0.00 -1.26 -4.81 120.51 120.59 1j3g n ALA 124 Ca 0.08 0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1j3g n ALA 124 Cb 0.48 -1.16 0.61 0.00 0.00 0.00 0.00 19.45 19.38 1j3g n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j3g n TYR 125 N 3.47 0.00 -2.26 0.00 4.01 -1.26 -4.73 117.16 116.38 1j3g n TYR 125 Ca 0.26 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.96 1j3g n TYR 125 Cb -0.03 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 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 -1.43 -6.94 -0.07 -0.72 -2.24 -1.25 -4.44 114.28 97.18 1j3g n THR 126 Ca 0.09 0.42 0.06 0.00 -2.27 0.00 0.00 64.05 62.34 1j3g n THR 126 Cb 0.28 -5.78 0.10 0.00 -2.10 0.00 0.00 70.33 62.83 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 -0.53 0.02 -0.31 3.42 9.92 -1.26 -0.34 116.55 127.47 1j3g n ASP 127 Ca 0.06 0.19 0.18 0.00 -0.53 0.00 0.00 54.79 54.68 1j3g n ASP 127 Cb 0.29 -0.09 0.36 0.00 -0.64 0.00 0.00 41.12 41.04 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g h ALA 128 N 0.21 1.54 -0.29 2.24 0.00 -1.97 -0.98 119.26 120.01 1j3g h ALA 128 Ca 0.13 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1j3g h ALA 128 Cb 0.43 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1j3g h ALA 128 CO -0.05 -0.53 -0.16 1.96 0.00 0.00 0.00 179.25 180.47 1j3g h GLN 129 N 0.23 -0.12 -0.94 0.00 4.20 -0.90 -0.08 115.11 117.49 1j3g h GLN 129 Ca 0.63 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.35 1j3g h GLN 129 Cb 1.36 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.12 1j3g h GLN 129 CO -0.66 -0.08 0.59 1.88 -0.67 0.00 0.00 178.83 179.89 1j3g h TYR 130 N -0.12 1.23 0.11 2.96 0.05 -1.38 0.20 116.97 120.01 1j3g h TYR 130 Ca 0.15 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1j3g h TYR 130 Cb 0.35 -0.41 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1j3g h TYR 130 CO -0.35 0.80 -0.05 1.96 -1.05 0.00 0.00 178.16 179.47 1j3g h GLN 131 N 1.29 -0.14 -0.17 4.88 4.20 -1.11 -1.24 115.11 122.82 1j3g h GLN 131 Ca 0.34 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 1j3g h GLN 131 Cb -0.08 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1j3g h GLN 131 CO -0.07 0.17 0.04 1.96 -0.67 0.00 0.00 178.83 180.26 1j3g h GLN 132 N -0.45 0.27 -0.13 1.46 1.08 -0.84 -1.16 115.11 115.35 1j3g h GLN 132 Ca -0.01 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1j3g h GLN 132 Cb 0.37 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1j3g h GLN 132 CO 0.02 0.41 -0.07 1.25 -0.95 0.00 0.00 178.83 179.50 1j3g h LEU 133 N 0.09 -0.22 -1.10 1.46 5.85 -0.69 -0.97 115.31 119.73 1j3g h LEU 133 Ca 0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1j3g h LEU 133 Cb 0.26 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1j3g h LEU 133 CO 0.00 -0.09 0.61 0.00 -0.34 0.00 0.00 178.44 178.62 1j3g h ALA 134 N 1.05 1.35 0.37 1.25 0.00 -0.99 0.14 119.26 122.43 1j3g h ALA 134 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1j3g h ALA 134 Cb 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1j3g h ALA 134 CO -0.16 0.60 -0.18 0.00 0.00 0.00 0.00 179.25 179.51 1j3g h ALA 135 N 1.43 -0.50 -0.84 0.00 0.00 -0.77 0.59 119.26 119.17 1j3g h ALA 135 Ca 0.34 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1j3g h ALA 135 Cb -0.13 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1j3g h ALA 135 CO -0.08 -0.74 0.54 0.28 0.00 0.00 0.00 179.25 179.26 1j3g h VAL 136 N -0.58 1.11 0.63 0.00 2.07 -0.77 -1.17 116.25 117.53 1j3g h VAL 136 Ca -0.05 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1j3g h VAL 136 Cb 0.43 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1j3g h VAL 136 CO 0.08 0.19 -0.34 0.74 0.02 0.00 0.00 177.57 178.26 1j3g h THR 137 N 1.03 0.31 -0.71 2.57 2.02 -0.59 -0.38 112.91 117.16 1j3g h THR 137 Ca 0.35 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.60 1j3g h THR 137 Cb 0.05 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 1j3g h THR 137 CO -0.13 0.00 0.39 0.78 0.37 0.00 0.00 175.52 176.93 1j3g h ASN 138 N -0.89 0.56 0.05 4.18 2.35 -0.63 -0.77 115.58 120.42 1j3g h ASN 138 Ca -0.08 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1j3g h ASN 138 Cb 0.71 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1j3g h ASN 138 CO 0.11 0.34 -0.02 0.00 -1.65 0.00 0.00 177.43 176.21 1j3g h ALA 139 N 1.39 -0.07 -0.83 -0.83 0.00 -1.06 -2.33 119.26 115.53 1j3g h ALA 139 Ca 0.33 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1j3g h ALA 139 Cb 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1j3g h ALA 139 CO -0.22 -0.39 0.54 -0.07 0.00 0.00 0.00 179.25 179.11 1j3g h LEU 140 N -0.36 0.76 -1.08 0.00 3.38 -0.80 -1.77 115.31 115.44 1j3g h LEU 140 Ca -0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1j3g h LEU 140 Cb 0.32 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1j3g h LEU 140 CO 0.01 0.47 0.62 0.40 0.09 0.00 0.00 178.44 180.03 1j3g h ILE 141 N 0.85 1.24 -0.63 1.22 2.04 -0.92 -0.07 117.51 121.25 1j3g h ILE 141 Ca 0.37 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1j3g h ILE 141 Cb 0.33 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1j3g h ILE 141 CO -0.14 0.23 0.42 0.74 0.00 0.00 0.00 178.15 179.40 1j3g h THR 142 N 1.27 1.02 0.02 -0.27 2.02 -0.77 -2.72 112.91 113.48 1j3g h THR 142 Ca 0.34 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 1j3g h THR 142 Cb -0.14 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1j3g h THR 142 CO -0.07 0.12 -0.54 0.03 0.37 0.00 0.00 175.52 175.43 1j3g h ARG 143 N 0.66 0.04 -4.40 6.66 2.47 -1.24 -3.44 114.38 115.12 1j3g h ARG 143 Ca 0.27 -0.06 -0.60 0.00 -1.26 0.00 0.00 59.98 58.33 1j3g h ARG 143 Cb 0.23 0.02 -0.38 0.00 -1.65 0.00 0.00 29.97 28.19 1j3g h ARG 143 CO -0.08 1.03 -0.80 0.71 0.56 0.00 0.00 179.97 181.39 1j3g s TYR 144 N -2.29 2.27 -0.51 3.04 1.51 -0.12 -5.09 117.35 116.15 1j3g s TYR 144 Ca -0.22 -1.56 -0.22 0.00 -1.01 0.00 0.00 57.07 54.06 1j3g s TYR 144 Cb 0.00 -1.55 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1j3g s TYR 144 CO 0.67 -0.73 0.80 -1.25 -1.11 0.00 0.00 175.55 173.93 1j3g s PRO 145 N 1.44 3.28 0.24 -1.71 0.04 -1.03 -4.05 135.00 133.21 1j3g s PRO 145 Ca -0.03 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1j3g s PRO 145 Cb -0.17 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1j3g s PRO 145 CO -0.07 -1.30 0.00 0.00 0.04 0.00 0.00 177.00 175.66 1j3g n ALA 146 N 6.86 1.21 -0.31 8.56 0.00 -1.26 -4.93 120.51 130.64 1j3g n ALA 146 Ca -0.01 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.70 1j3g n ALA 146 Cb 0.47 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.52 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 0.49 -0.22 0.00 2.04 -1.77 0.10 117.51 118.16 1j3g h ILE 147 Ca 0.00 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1j3g h ILE 147 Cb 0.00 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1j3g h ILE 147 CO 0.00 0.04 0.40 0.00 0.00 0.00 0.00 178.15 178.60 1j3g h ALA 148 N 1.55 1.76 0.00 1.87 0.00 -1.91 -1.40 119.26 121.12 1j3g h ALA 148 Ca 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1j3g h ALA 148 Cb 1.76 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1j3g h ALA 148 CO -0.19 -0.51 -0.48 0.09 0.00 0.00 0.00 179.25 178.16 1j3g n ASN 149 N -3.31 0.32 -3.47 0.00 4.13 0.31 -4.76 115.26 108.48 1j3g n ASN 149 Ca 0.03 -2.13 -0.29 0.00 1.68 0.00 0.00 54.58 53.87 1j3g n ASN 149 Cb 0.52 -0.23 -0.12 0.00 -1.54 0.00 0.00 39.78 38.41 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1j3g s ASN 150 N -1.28 2.69 -0.09 6.41 -0.87 -0.53 -4.94 114.94 116.32 1j3g s ASN 150 Ca 0.06 -2.42 -0.02 0.00 -1.57 0.00 0.00 52.86 48.91 1j3g s ASN 150 Cb 0.06 -0.45 0.04 0.00 -0.02 0.00 0.00 41.25 40.87 1j3g s ASN 150 CO -0.01 -0.27 0.02 -0.04 -2.57 0.00 0.00 177.10 174.23 1j3g s MET 151 N 0.79 0.45 0.24 -0.60 -1.94 -1.26 -2.18 119.30 114.81 1j3g s MET 151 Ca 0.21 0.06 -0.05 0.00 -1.71 0.00 0.00 55.69 54.20 1j3g s MET 151 Cb -0.17 -1.15 0.02 0.00 2.01 0.00 0.00 34.83 35.54 1j3g s MET 151 CO -0.04 -0.39 0.40 -2.37 -0.01 0.00 0.00 175.02 172.62 1j3g n THR 152 N 5.17 0.00 0.00 2.05 5.66 -1.06 -5.00 114.28 121.10 1j3g n THR 152 Ca -0.07 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 59.99 1j3g n THR 152 Cb 0.49 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 1j3g n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3g n GLY 153 N -0.37 5.05 0.01 1.09 0.00 -1.25 -0.80 105.19 108.93 1j3g n GLY 153 Ca -0.02 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.29 1j3g n GLY 153 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j3g n HIS 154 N 0.00 0.00 0.69 1.61 -0.00 -0.35 -4.57 115.22 112.60 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 -0.15 -0.10 0.00 -0.00 0.00 0.00 29.99 29.74 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 -1.51 2.21 0.29 0.00 5.15 -1.08 -4.32 115.26 115.99 1j3g n ASN 156 Ca 0.02 -2.23 0.19 0.00 -0.60 0.00 0.00 54.58 51.96 1j3g n ASN 156 Cb 0.30 -0.50 0.94 0.00 -0.53 0.00 0.00 39.78 39.99 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 1.18 0.00 0.00 -1.44 -2.65 -1.78 -3.41 117.51 109.41 1j3g h ILE 157 Ca 0.00 -0.17 0.00 0.00 1.03 0.00 0.00 64.86 65.72 1j3g h ILE 157 Cb 0.84 1.09 0.00 0.00 -2.05 0.00 0.00 36.82 36.70 1j3g h ILE 157 CO 0.12 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.30 1j3g n ALA 158 N -2.02 1.78 -2.60 0.16 0.00 -1.26 -4.62 120.51 111.95 1j3g n ALA 158 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1j3g n ALA 158 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -1.39 3.74 0.51 0.00 0.04 -1.26 -4.90 135.00 131.74 1j3g s PRO 159 Ca 0.00 0.54 0.33 0.00 0.04 0.00 0.00 61.00 61.90 1j3g s PRO 159 Cb 0.00 -3.88 1.77 0.00 0.04 0.00 0.00 34.50 32.43 1j3g s PRO 159 CO 0.00 -1.24 1.99 1.49 0.04 0.00 0.00 177.00 179.28 1j3g h GLU 160 N 8.97 0.00 -0.07 4.56 4.81 -1.89 -2.98 114.58 127.98 1j3g h GLU 160 Ca -0.23 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1j3g h GLU 160 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1j3g h GLU 160 CO 1.08 0.00 0.07 -0.09 -0.73 0.00 0.00 179.01 179.34 1j3g h ARG 161 N 0.00 0.00 -4.59 1.92 9.65 -1.94 -3.39 114.38 116.03 1j3g h ARG 161 Ca 0.00 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.52 1j3g h ARG 161 Cb 0.08 0.00 -0.28 0.00 -1.39 0.00 0.00 29.97 28.38 1j3g h ARG 161 CO 0.00 0.00 -0.77 0.15 2.80 0.00 0.00 179.97 182.15 1j3g s LYS 162 N -4.66 0.62 0.00 0.20 1.02 -1.13 -4.97 119.74 110.82 1j3g s LYS 162 Ca -0.05 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1j3g s LYS 162 Cb 0.15 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 1j3g s LYS 162 CO 0.55 0.16 0.00 2.41 -0.92 0.00 0.00 175.35 177.55 1j3g n THR 163 N 2.80 0.00 -3.87 2.17 -1.04 -1.26 -2.64 114.28 110.44 1j3g n THR 163 Ca -0.14 -0.16 -0.02 0.00 -2.04 0.00 0.00 64.05 61.69 1j3g n THR 163 Cb 0.57 0.64 0.02 0.00 -1.82 0.00 0.00 70.33 69.74 1j3g n THR 163 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j3g n ASP 164 N -1.22 -1.55 -2.20 8.00 2.03 -1.26 -1.07 116.55 119.29 1j3g n ASP 164 Ca 0.00 -1.79 -0.14 0.00 0.52 0.00 0.00 54.79 53.38 1j3g n ASP 164 Cb 0.00 2.51 -0.14 0.00 -0.72 0.00 0.00 41.12 42.77 1j3g n ASP 164 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1j3g n PRO 165 N -0.67 2.05 0.00 -0.67 -0.04 -1.26 -3.92 135.00 130.49 1j3g n PRO 165 Ca -0.02 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1j3g n PRO 165 Cb 0.53 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 2.67 -0.87 0.00 0.55 0.00 -1.26 -5.11 105.19 101.17 1j3g n GLY 166 Ca 0.44 0.46 -0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.01 -6.23 1.61 0.13 -1.94 -3.35 132.00 122.22 1j3g h PRO 167 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1j3g h PRO 167 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1j3g h PRO 167 CO 0.00 -0.00 -0.78 0.45 -0.23 0.00 0.00 178.00 177.44 1j3g n SER 168 N -2.03 -3.79 -0.09 1.44 2.88 -1.26 -4.55 113.62 106.22 1j3g n SER 168 Ca -0.00 -0.78 0.07 0.00 -1.33 0.00 0.00 58.87 56.83 1j3g n SER 168 Cb 0.00 -3.97 0.10 0.00 -0.75 0.00 0.00 64.21 59.59 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 0.00 -3.73 0.66 7.35 -1.26 -5.04 117.46 110.86 1j3g n PHE 169 Ca -0.06 -0.80 -0.24 0.00 -0.76 0.00 0.00 57.45 55.60 1j3g n PHE 169 Cb 0.57 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.28 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 -1.11 -5.08 -0.10 -2.13 -0.08 -1.26 -4.43 116.55 102.36 1j3g n ASP 170 Ca 0.11 -0.86 0.24 0.00 -1.51 0.00 0.00 54.79 52.77 1j3g n ASP 170 Cb 0.57 -1.92 0.69 0.00 2.34 0.00 0.00 41.12 42.80 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 -0.10 0.05 0.19 -0.67 -0.00 -1.97 0.13 115.95 113.58 1j3g h TRP 171 Ca -0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.29 1j3g h TRP 171 Cb 1.37 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.52 1j3g h TRP 171 CO 0.22 0.01 -0.09 0.00 -0.00 0.00 0.00 178.44 178.58 1j3g h ALA 172 N 1.64 -0.25 0.10 1.49 0.00 -1.98 -1.54 119.26 118.71 1j3g h ALA 172 Ca 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1j3g h ALA 172 Cb 1.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1j3g h ALA 172 CO -0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 179.25 178.68 1j3g h ARG 173 N -0.53 -0.13 -0.24 0.00 2.47 -1.36 -0.09 114.38 114.50 1j3g h ARG 173 Ca -0.03 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1j3g h ARG 173 Cb 0.40 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 1j3g h ARG 173 CO 0.04 -0.06 0.08 0.35 0.56 0.00 0.00 179.97 180.94 1j3g h PHE 174 N -0.15 0.38 -0.09 3.04 3.57 -1.22 0.38 116.94 122.85 1j3g h PHE 174 Ca -0.01 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1j3g h PHE 174 Cb 0.12 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1j3g h PHE 174 CO -0.06 0.42 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.17 1j3g h ARG 175 N 0.23 0.15 -0.51 1.11 2.43 -1.28 -1.31 114.38 115.19 1j3g h ARG 175 Ca 0.08 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1j3g h ARG 175 Cb 0.21 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1j3g h ARG 175 CO -0.00 0.34 -0.05 0.00 -1.51 0.00 0.00 179.97 178.74 1j3g h ALA 176 N 1.68 0.70 0.23 2.80 0.00 -0.43 -3.36 119.26 120.87 1j3g h ALA 176 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1j3g h ALA 176 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1j3g h ALA 176 CO 0.03 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.65 1j3g h LEU 177 N 0.81 -0.26-10.15 0.00 3.38 -0.38 -3.46 115.31 105.24 1j3g h LEU 177 Ca 0.14 -0.27 -0.52 0.00 0.09 0.00 0.00 57.88 57.32 1j3g h LEU 177 Cb 0.59 0.07 0.12 0.00 0.09 0.00 0.00 40.66 41.53 1j3g h LEU 177 CO 0.04 0.23 0.42 -0.69 0.09 0.00 0.00 178.44 178.52 1j3g s VAL 178 N -3.74 2.78 -0.33 1.22 1.01 -0.54 -4.91 120.40 115.89 1j3g s VAL 178 Ca -0.13 0.42 -0.38 0.00 0.00 0.00 0.00 61.98 61.90 1j3g s VAL 178 Cb 0.01 -3.04 -0.14 0.00 0.00 0.00 0.00 36.38 33.21 1j3g s VAL 178 CO 0.47 -0.17 2.03 0.41 0.00 0.00 0.00 175.10 177.84 1j3g n THR 179 N -2.09 0.23 -2.61 3.92 -1.04 -1.26 -4.86 114.28 106.56 1j3g n THR 179 Ca 0.12 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 1j3g n THR 179 Cb 0.51 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 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 7.16 3.26 -3.64 -2.82 -0.04 -1.26 -4.67 135.00 132.99 1j3g n PRO 180 Ca 0.37 -3.44 -0.30 0.00 -0.04 0.00 0.00 63.50 60.09 1j3g n PRO 180 Cb 0.17 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.30 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 6.86 -1.23 0.00 3.54 2.88 -1.26 -4.29 113.62 120.13 1j3g n SER 181 Ca 0.44 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1j3g n SER 181 Cb 0.43 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1j3g n SER 181 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3g n SER 182 N -1.49 0.00 -2.88 -3.46 2.88 -1.26 -4.97 113.62 102.43 1j3g n SER 182 Ca 0.08 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 1j3g n SER 182 Cb 0.32 0.29 -0.05 0.00 -0.75 0.00 0.00 64.21 64.01 1j3g n SER 182 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1j3g n HIS 183 N -2.14 1.18 -3.59 0.66 -0.00 -1.26 -4.87 115.22 105.20 1j3g n HIS 183 Ca 0.00 -1.95 -0.37 0.00 -0.00 0.00 0.00 57.72 55.40 1j3g n HIS 183 Cb 0.00 -1.74 -0.09 0.00 -0.00 0.00 0.00 29.99 28.16 1j3g n HIS 183 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1j3g s LYS 184 N 2.52 4.07 0.00 1.57 2.20 -1.26 -4.88 119.74 123.97 1j3g s LYS 184 Ca 0.50 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1j3g s LYS 184 Cb 0.16 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1j3g s LYS 184 CO -0.03 0.00 0.00 -0.85 -0.36 0.00 0.00 175.35 174.11 1j3g n GLU 185 N 4.45 -0.71 -3.50 4.03 0.00 -1.26 -5.12 120.64 118.53 1j3g n GLU 185 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 56.95 1j3g n GLU 185 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.88 1j3g n GLU 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 1j3g s MET 186 N -2.03 0.37 0.00 3.44 1.75 -1.26 -5.14 119.30 116.43 1j3g s MET 186 Ca 0.00 0.88 0.00 0.00 -1.25 0.00 0.00 55.69 55.32 1j3g s MET 186 Cb 0.00 0.10 0.00 0.00 2.84 0.00 0.00 34.83 37.77 1j3g s MET 186 CO 0.00 -0.42 0.00 2.41 -0.65 0.00 0.00 175.02 176.36