#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 4.36 -0.09 -0.89 2.96 -1.26 -4.99 118.68 118.78 1j3g s LEU 2 Ca 0.00 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1j3g s LEU 2 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.16 1j3g s LEU 2 CO 0.00 -0.90 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.30 1j3g s LEU 3 N 3.03 1.22 0.05 -0.68 1.43 -1.26 -2.51 118.68 119.96 1j3g s LEU 3 Ca 0.75 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.69 1j3g s LEU 3 Cb -0.39 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1j3g s LEU 3 CO 0.32 -0.09 -0.24 -0.62 0.23 0.00 0.00 176.35 175.96 1j3g s ASP 4 N 1.40 3.37 -1.23 2.29 2.15 -0.12 -4.60 116.67 119.93 1j3g s ASP 4 Ca -0.02 -0.56 -0.05 0.00 0.43 0.00 0.00 52.55 52.36 1j3g s ASP 4 Cb -0.13 -0.38 0.03 0.00 -0.30 0.00 0.00 42.92 42.14 1j3g s ASP 4 CO -0.04 0.25 0.29 -0.62 -0.17 0.00 0.00 175.17 174.88 1j3g n GLU 5 N 1.61 -3.09 -1.44 4.34 -0.58 -1.26 -0.76 120.64 119.46 1j3g n GLU 5 Ca -0.17 0.59 -0.15 0.00 -0.42 0.00 0.00 57.16 57.01 1j3g n GLU 5 Cb 0.52 -5.28 -0.07 0.00 -0.57 0.00 0.00 31.44 26.05 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 1.46 3.43 0.62 0.00 -1.26 -4.98 105.19 103.40 1j3g n GLY 6 Ca -0.09 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.33 1.90 0.17 1.61 0.52 0.06 -5.10 118.94 115.76 1j3g s TRP 7 Ca 0.00 -1.00 -0.31 0.00 0.02 0.00 0.00 56.10 54.81 1j3g s TRP 7 Cb 0.00 -1.23 -0.09 0.00 -1.15 0.00 0.00 33.47 31.00 1j3g s TRP 7 CO 0.00 -0.05 1.44 -1.17 0.02 0.00 0.00 176.95 177.19 1j3g s LEU 8 N -3.47 4.38 0.56 2.99 0.20 -1.26 -0.95 118.68 121.13 1j3g s LEU 8 Ca 0.36 2.49 -0.17 0.00 0.69 0.00 0.00 54.13 57.50 1j3g s LEU 8 Cb 0.08 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.19 1j3g s LEU 8 CO 0.15 -0.69 1.03 0.00 -0.29 0.00 0.00 176.35 176.56 1j3g s ALA 9 N 0.74 2.85 -1.28 5.97 0.00 -1.04 -4.05 121.76 124.95 1j3g s ALA 9 Ca 0.64 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 1j3g s ALA 9 Cb -0.40 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1j3g s ALA 9 CO 0.34 -0.59 0.55 0.39 0.00 0.00 0.00 175.76 176.45 1j3g n GLU 10 N -1.77 -0.44 -3.71 0.00 -0.58 -1.26 -4.98 120.64 107.90 1j3g n GLU 10 Ca 0.08 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.77 1j3g n GLU 10 Cb 0.53 -2.78 -0.08 0.00 -0.57 0.00 0.00 31.44 28.54 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j3g s ALA 11 N -3.70 -0.95 -0.19 0.62 0.00 -1.26 -4.53 121.76 111.75 1j3g s ALA 11 Ca 0.39 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 1j3g s ALA 11 Cb -0.21 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1j3g s ALA 11 CO 0.98 -0.31 0.76 0.50 0.00 0.00 0.00 175.76 177.68 1j3g s ARG 12 N -1.55 4.25 -0.05 0.00 6.06 -0.03 -4.96 118.95 122.67 1j3g s ARG 12 Ca -0.11 0.86 -0.25 0.00 -2.50 0.00 0.00 55.73 53.72 1j3g s ARG 12 Cb -0.04 -3.58 -0.03 0.00 0.06 0.00 0.00 34.95 31.36 1j3g s ARG 12 CO 0.04 -0.31 0.79 -0.98 -2.50 0.00 0.00 175.30 172.33 1j3g s ARG 13 N 2.12 4.46 -0.41 5.12 1.70 -1.26 -0.85 118.95 129.83 1j3g s ARG 13 Ca 0.34 1.04 0.04 0.00 -0.47 0.00 0.00 55.73 56.69 1j3g s ARG 13 Cb -0.16 -3.46 0.18 0.00 -0.57 0.00 0.00 34.95 30.94 1j3g s ARG 13 CO 0.11 0.01 0.36 0.28 -1.08 0.00 0.00 175.30 174.98 1j3g n VAL 14 N 3.87 -1.17 -2.37 4.99 0.31 -0.51 -4.92 118.33 118.53 1j3g n VAL 14 Ca 0.01 -3.41 -0.42 0.00 -0.01 0.00 0.00 64.34 60.51 1j3g n VAL 14 Cb 0.51 -1.61 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 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 -0.00 4.37 -0.12 5.55 0.04 -1.26 -4.19 135.00 139.39 1j3g s PRO 15 Ca 0.33 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1j3g s PRO 15 Cb 0.05 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1j3g s PRO 15 CO -0.19 -0.38 -0.10 0.45 0.04 0.00 0.00 177.00 176.82 1j3g s SER 16 N 1.32 2.27 -0.29 6.66 0.15 -1.26 -5.03 113.70 117.52 1j3g s SER 16 Ca 0.60 -0.35 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 1j3g s SER 16 Cb -0.29 -0.93 -0.20 0.00 -1.71 0.00 0.00 66.02 62.89 1j3g s SER 16 CO 0.27 -0.09 3.10 -0.81 1.20 0.00 0.00 173.24 176.91 1j3g n PRO 17 N 4.80 2.04 -2.29 5.44 -0.04 -1.26 -4.15 135.00 139.53 1j3g n PRO 17 Ca -0.14 -1.10 -0.21 0.00 -0.04 0.00 0.00 63.50 62.01 1j3g n PRO 17 Cb 0.50 -2.09 0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1j3g n PRO 17 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j3g n HIS 18 N 2.82 2.66 -1.45 0.54 -0.00 -1.26 -5.08 115.22 113.45 1j3g n HIS 18 Ca 0.44 -2.50 -0.30 0.00 0.46 0.00 0.00 57.72 55.82 1j3g n HIS 18 Cb 0.67 -0.26 0.22 0.00 -0.12 0.00 0.00 29.99 30.51 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 0.86 0.44 1.57 1.51 -1.26 -4.51 117.35 112.39 1j3g s TYR 19 Ca 0.46 0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.94 1j3g s TYR 19 Cb 0.40 -3.77 -0.02 0.00 -0.11 0.00 0.00 41.96 38.46 1j3g s TYR 19 CO -0.03 -3.41 0.12 -0.51 -1.11 0.00 0.00 175.55 170.61 1j3g s ASP 20 N -4.36 3.10 -0.30 2.29 1.01 -1.25 -4.85 116.67 112.32 1j3g s ASP 20 Ca 0.73 -1.73 -0.10 0.00 0.71 0.00 0.00 52.55 52.16 1j3g s ASP 20 Cb -0.06 0.61 0.15 0.00 1.01 0.00 0.00 42.92 44.62 1j3g s ASP 20 CO 0.55 -0.98 0.73 0.00 0.21 0.00 0.00 175.17 175.69 1j3g s ARG 22 N 2.79 0.91 -0.68 0.00 1.81 -1.26 -5.09 118.95 117.43 1j3g s ARG 22 Ca -0.02 -0.36 -0.27 0.00 -1.72 0.00 0.00 55.73 53.37 1j3g s ARG 22 Cb -0.11 -0.87 0.00 0.00 -0.45 0.00 0.00 34.95 33.53 1j3g s ARG 22 CO -0.19 0.19 1.59 -1.25 -0.68 0.00 0.00 175.30 174.96 1j3g s PRO 23 N -0.09 2.90 -0.13 3.54 0.04 -1.26 -4.87 135.00 135.12 1j3g s PRO 23 Ca 0.01 0.18 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1j3g s PRO 23 Cb -0.06 -4.32 0.12 0.00 0.04 0.00 0.00 34.50 30.28 1j3g s PRO 23 CO -0.00 -2.47 0.96 -0.51 0.04 0.00 0.00 177.00 175.02 1j3g s ASP 24 N 6.07 -0.39 -0.26 6.66 1.01 -1.26 -5.05 116.67 123.45 1j3g s ASP 24 Ca 0.52 0.37 -0.01 0.00 0.71 0.00 0.00 52.55 54.14 1j3g s ASP 24 Cb -0.10 0.33 0.14 0.00 1.01 0.00 0.00 42.92 44.30 1j3g s ASP 24 CO 0.17 -0.40 0.39 -1.81 0.21 0.00 0.00 175.17 173.73 1j3g s ASP 25 N -1.31 0.31 0.17 0.27 1.01 -1.26 -5.10 116.67 110.76 1j3g s ASP 25 Ca -0.01 0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1j3g s ASP 25 Cb -0.00 1.11 -0.04 0.00 1.01 0.00 0.00 42.92 44.99 1j3g s ASP 25 CO 0.01 -0.32 0.03 -0.70 0.21 0.00 0.00 175.17 174.40 1j3g s GLU 26 N 2.54 1.10 0.01 8.23 2.56 -1.26 -5.13 118.70 126.75 1j3g s GLU 26 Ca 0.12 -1.54 -0.30 0.00 0.00 0.00 0.00 54.97 53.25 1j3g s GLU 26 Cb -0.14 -0.11 -0.06 0.00 2.00 0.00 0.00 34.13 35.81 1j3g s GLU 26 CO -0.21 -0.19 1.57 1.21 -0.56 0.00 0.00 175.26 177.08 1j3g s ASN 27 N -3.15 6.70 -0.61 -1.70 3.84 -1.26 -4.96 114.94 113.80 1j3g s ASN 27 Ca 0.26 2.28 -0.25 0.00 0.21 0.00 0.00 52.86 55.36 1j3g s ASN 27 Cb 0.07 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.26 1j3g s ASN 27 CO 0.05 -0.84 1.03 -2.16 -2.79 0.00 0.00 177.10 172.38 1j3g s PRO 28 N 3.00 3.29 -0.40 0.43 0.04 -1.26 -4.83 135.00 135.28 1j3g s PRO 28 Ca 0.70 -0.32 -0.00 0.00 0.04 0.00 0.00 61.00 61.42 1j3g s PRO 28 Cb -0.35 -4.10 0.24 0.00 0.04 0.00 0.00 34.50 30.33 1j3g s PRO 28 CO 0.29 -1.68 1.05 0.45 0.04 0.00 0.00 177.00 177.16 1j3g n SER 29 N 7.92 -2.01 -3.69 6.66 2.88 -1.26 -4.43 113.62 119.70 1j3g n SER 29 Ca 0.02 -2.08 -0.12 0.00 -1.33 0.00 0.00 58.87 55.35 1j3g n SER 29 Cb 0.47 1.12 -0.13 0.00 -0.75 0.00 0.00 64.21 64.93 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 0.16 -0.08 -0.06 2.46 1.98 -1.26 -4.19 118.68 117.69 1j3g s LEU 30 Ca 0.27 0.63 -0.21 0.00 -2.89 0.00 0.00 54.13 51.93 1j3g s LEU 30 Cb 0.16 0.82 -0.04 0.00 0.66 0.00 0.00 46.19 47.79 1j3g s LEU 30 CO -0.12 -0.21 0.62 -0.22 -1.89 0.00 0.00 176.35 174.52 1j3g s LEU 31 N 1.98 4.34 -0.03 -0.68 2.96 -0.99 -3.34 118.68 122.92 1j3g s LEU 31 Ca -0.03 1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.97 1j3g s LEU 31 Cb -0.11 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1j3g s LEU 31 CO -0.09 -0.02 0.03 -0.69 -1.32 0.00 0.00 176.35 174.26 1j3g s VAL 32 N 0.43 4.42 -0.11 1.68 1.01 -1.21 -1.66 120.40 124.96 1j3g s VAL 32 Ca 0.33 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1j3g s VAL 32 Cb -0.17 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.30 1j3g s VAL 32 CO 0.16 0.45 0.02 -0.69 0.00 0.00 0.00 175.10 175.05 1j3g s VAL 33 N -1.05 0.32 -0.18 2.92 1.01 0.10 -4.29 120.40 119.24 1j3g s VAL 33 Ca 0.18 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1j3g s VAL 33 Cb -0.12 -0.63 0.14 0.00 0.00 0.00 0.00 36.38 35.78 1j3g s VAL 33 CO 0.08 0.08 1.11 -1.38 0.00 0.00 0.00 175.10 174.99 1j3g s HIS 34 N 1.98 -0.25 -0.39 5.22 -3.43 -1.26 -4.05 115.29 113.11 1j3g s HIS 34 Ca 0.03 0.38 -0.17 0.00 -0.80 0.00 0.00 55.06 54.50 1j3g s HIS 34 Cb -0.14 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.50 1j3g s HIS 34 CO -0.06 -0.26 0.44 1.21 -2.00 0.00 0.00 174.74 174.07 1j3g s ASN 35 N -1.34 6.22 0.41 7.38 2.47 -1.26 -3.16 114.94 125.66 1j3g s ASN 35 Ca 0.03 -0.42 0.03 0.00 0.42 0.00 0.00 52.86 52.93 1j3g s ASN 35 Cb -0.01 -2.23 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 1j3g s ASN 35 CO -0.03 -0.51 0.10 -0.63 -3.72 0.00 0.00 177.10 172.32 1j3g s ILE 36 N 2.19 0.78 -0.21 -5.21 -1.09 -1.08 -4.85 121.20 111.73 1j3g s ILE 36 Ca 0.14 -2.00 -0.08 0.00 -2.23 0.00 0.00 60.65 56.48 1j3g s ILE 36 Cb -0.16 -2.40 0.09 0.00 -1.58 0.00 0.00 42.46 38.41 1j3g s ILE 36 CO 0.13 0.00 0.45 -0.55 -1.23 0.00 0.00 174.94 173.75 1j3g s SER 37 N -3.63 -0.41 0.31 3.58 0.15 -1.26 -2.05 113.70 110.39 1j3g s SER 37 Ca 0.23 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1j3g s SER 37 Cb 0.03 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1j3g s SER 37 CO 0.13 -0.23 0.00 -0.11 1.20 0.00 0.00 173.24 174.24 1j3g n LEU 38 N 5.23 -0.60 -4.73 3.45 -0.00 -1.26 -5.07 117.00 114.03 1j3g n LEU 38 Ca -0.11 0.54 -0.41 0.00 -0.00 0.00 0.00 56.01 56.03 1j3g n LEU 38 Cb 0.50 0.78 -0.04 0.00 -0.00 0.00 0.00 43.42 44.66 1j3g n LEU 38 CO 0.00 -0.68 0.68 -2.16 -0.00 0.00 0.00 177.39 175.24 1j3g s PRO 39 N -1.97 4.68 -1.16 1.96 0.04 -1.26 -4.90 135.00 132.39 1j3g s PRO 39 Ca 0.00 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 1j3g s PRO 39 Cb 0.00 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1j3g s PRO 39 CO 0.00 0.18 1.93 -0.35 0.04 0.00 0.00 177.00 178.80 1j3g n PRO 40 N 2.85 2.19 0.00 0.56 -0.04 -1.26 -4.77 135.00 134.53 1j3g n PRO 40 Ca 0.03 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1j3g n PRO 40 Cb 0.49 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 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 5.09 -1.85 3.47 0.55 0.00 -1.26 -4.93 105.19 106.25 1j3g n GLY 41 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 1j3g n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 42 N -2.13 0.50 -0.24 1.61 2.02 -1.26 -5.16 118.70 114.04 1j3g s GLU 42 Ca 0.00 1.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.88 1j3g s GLU 42 Cb 0.00 0.42 0.16 0.00 0.10 0.00 0.00 34.13 34.81 1j3g s GLU 42 CO 0.00 -0.20 1.21 -0.06 0.02 0.00 0.00 175.26 176.23 1j3g s PHE 43 N 2.32 -0.20 0.17 1.61 0.08 -1.26 -5.08 117.98 115.62 1j3g s PHE 43 Ca -0.06 0.37 -0.02 0.00 0.12 0.00 0.00 56.93 57.34 1j3g s PHE 43 Cb -0.10 0.47 0.04 0.00 -0.57 0.00 0.00 43.02 42.86 1j3g s PHE 43 CO -0.16 -0.17 1.42 0.78 -0.10 0.00 0.00 175.22 176.99 1j3g h GLY 44 N 2.52 0.48 -5.87 4.36 0.00 -2.04 -3.46 103.07 99.06 1j3g h GLY 44 Ca -0.15 -0.68 -0.61 0.00 0.00 0.00 0.00 47.33 45.89 1j3g h GLY 44 CO 0.24 0.60 1.15 0.61 0.00 0.00 0.00 176.54 179.14 1j3g n GLY 45 N 0.58 1.41 0.00 4.60 0.00 -1.26 -4.89 105.19 105.62 1j3g n GLY 45 Ca -0.05 0.86 0.11 0.00 0.00 0.00 0.00 46.02 46.95 1j3g n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3g n PRO 46 N 6.92 0.30 -0.26 1.61 -0.04 -1.26 -3.73 135.00 138.55 1j3g n PRO 46 Ca 0.24 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.84 1j3g n PRO 46 Cb 0.31 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.26 -0.31 0.54 -0.00 -1.99 -0.89 115.95 113.56 1j3g h TRP 47 Ca 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 58.89 58.89 1j3g h TRP 47 Cb 0.22 0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.37 1j3g h TRP 47 CO 0.00 -0.12 0.01 0.82 -0.00 0.00 0.00 178.44 179.15 1j3g h ILE 48 N 0.24 1.25 -0.82 1.49 2.04 -1.91 -2.71 117.51 117.11 1j3g h ILE 48 Ca 0.44 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 1j3g h ILE 48 Cb 0.77 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1j3g h ILE 48 CO -0.55 0.30 0.40 -0.78 0.00 0.00 0.00 178.15 177.52 1j3g h ASP 49 N 0.34 1.05 -0.52 1.72 3.58 -1.55 -1.78 116.42 119.26 1j3g h ASP 49 Ca 0.09 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.46 1j3g h ASP 49 Cb 0.42 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1j3g h ASP 49 CO 0.01 0.88 0.34 0.00 -2.88 0.00 0.00 179.24 177.60 1j3g h ALA 50 N 1.28 1.81 0.18 -0.78 0.00 -1.02 0.18 119.26 120.91 1j3g h ALA 50 Ca 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1j3g h ALA 50 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1j3g h ALA 50 CO -0.04 0.12 -0.08 1.25 0.00 0.00 0.00 179.25 180.50 1j3g h LEU 51 N 0.54 -0.20 -0.31 0.00 7.12 -1.02 -0.82 115.31 120.62 1j3g h LEU 51 Ca 0.21 -0.21 -0.15 0.00 0.13 0.00 0.00 57.88 57.87 1j3g h LEU 51 Cb 0.18 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1j3g h LEU 51 CO -0.06 0.11 -0.38 -0.26 -0.13 0.00 0.00 178.44 177.72 1j3g h PHE 52 N -0.52 0.98 -0.09 1.25 -1.00 -0.89 -3.15 116.94 113.51 1j3g h PHE 52 Ca -0.02 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.43 1j3g h PHE 52 Cb 0.40 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 1j3g h PHE 52 CO 0.02 1.10 0.00 0.00 -1.61 0.00 0.00 178.31 177.82 1j3g h THR 53 N 0.57 1.24 0.00 -1.55 1.03 -0.78 -3.48 112.91 109.94 1j3g h THR 53 Ca 0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 66.41 65.67 1j3g h THR 53 Cb 0.97 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 69.64 1j3g h THR 53 CO 0.09 0.22 0.00 0.61 -0.01 0.00 0.00 175.52 176.43 1j3g n GLY 54 N -0.30 1.03 0.61 2.99 0.00 -0.43 -5.03 105.19 104.06 1j3g n GLY 54 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.42 -1.64 2.61 -2.24 -0.53 -4.96 114.28 107.94 1j3g n THR 55 Ca 0.00 -0.44 -0.49 0.00 -2.27 0.00 0.00 64.05 60.86 1j3g n THR 55 Cb 0.00 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.46 0.02 -3.76 2.28 3.06 -0.83 -4.98 119.36 115.61 1j3g n ILE 56 Ca 0.12 -0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 60.00 1j3g n ILE 56 Cb 0.29 -1.24 -0.07 0.00 0.54 0.00 0.00 39.64 39.16 1j3g n ILE 56 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1j3g s ASP 57 N 0.87 6.37 -1.15 9.51 2.15 -1.26 -4.90 116.67 128.26 1j3g s ASP 57 Ca 0.82 0.44 -0.22 0.00 0.43 0.00 0.00 52.55 54.02 1j3g s ASP 57 Cb -0.80 -2.10 -0.07 0.00 -0.30 0.00 0.00 42.92 39.64 1j3g s ASP 57 CO 0.42 0.29 1.91 -0.81 -0.17 0.00 0.00 175.17 176.81 1j3g n PRO 58 N 2.67 1.89 -0.03 4.34 -0.04 -1.26 -4.60 135.00 137.96 1j3g n PRO 58 Ca -0.17 -2.51 -0.04 0.00 -0.04 0.00 0.00 63.50 60.74 1j3g n PRO 58 Cb 0.53 -3.55 -0.01 0.00 -0.04 0.00 0.00 33.50 30.43 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 12.05 0.89 -0.16 3.54 2.85 -1.26 -4.63 115.26 128.54 1j3g n ASN 59 Ca 0.47 0.15 -0.04 0.00 -0.11 0.00 0.00 54.58 55.05 1j3g n ASN 59 Cb 0.45 -0.55 0.05 0.00 1.24 0.00 0.00 39.78 40.98 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 -1.27 0.60 -2.34 5.20 0.00 -2.05 -3.46 119.26 115.94 1j3g h ALA 60 Ca 0.00 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.18 1j3g h ALA 60 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1j3g h ALA 60 CO 0.00 -0.18 0.69 -3.38 0.00 0.00 0.00 179.25 176.38 1j3g s HIS 61 N -6.13 0.04 0.10 0.00 -3.43 -1.26 -5.07 115.29 99.54 1j3g s HIS 61 Ca -0.13 -0.34 -0.15 0.00 -0.80 0.00 0.00 55.06 53.64 1j3g s HIS 61 Cb 0.14 0.65 -0.06 0.00 -1.43 0.00 0.00 32.58 31.88 1j3g s HIS 61 CO 0.73 -0.69 1.48 -1.00 -2.00 0.00 0.00 174.74 173.26 1j3g h PRO 62 N 2.00 0.67 -0.67 -0.38 0.13 -1.90 -3.35 132.00 128.49 1j3g h PRO 62 Ca -0.26 -0.29 0.13 0.00 -0.87 0.00 0.00 66.00 64.71 1j3g h PRO 62 Cb 1.21 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1j3g h PRO 62 CO 0.34 0.88 -0.21 -0.92 -0.23 0.00 0.00 178.00 177.85 1j3g h TYR 63 N 0.43 -0.49 0.18 1.56 3.20 -1.97 0.15 116.97 120.03 1j3g h TYR 63 Ca 0.07 0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1j3g h TYR 63 Cb 0.67 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1j3g h TYR 63 CO 0.06 -0.32 -0.26 0.35 -1.64 0.00 0.00 178.16 176.35 1j3g h PHE 64 N -0.04 -0.70 -0.58 -3.82 3.04 -1.97 -0.37 116.94 112.49 1j3g h PHE 64 Ca 0.31 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.25 1j3g h PHE 64 Cb 0.51 0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1j3g h PHE 64 CO -0.57 -0.37 0.29 0.00 -2.02 0.00 0.00 178.31 175.63 1j3g h ALA 65 N 0.18 0.75 0.19 2.41 0.00 -1.68 -3.24 119.26 117.87 1j3g h ALA 65 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1j3g h ALA 65 Cb 0.50 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1j3g h ALA 65 CO -0.11 0.31 -0.44 0.78 0.00 0.00 0.00 179.25 179.78 1j3g h GLY 66 N 0.79 -0.95 0.94 0.00 0.00 -0.03 -3.11 103.07 100.72 1j3g h GLY 66 Ca 0.20 0.53 0.05 0.00 0.00 0.00 0.00 47.33 48.12 1j3g h GLY 66 CO -0.03 -0.29 0.57 0.16 0.00 0.00 0.00 176.54 176.96 1j3g h ILE 67 N -0.73 1.09 -0.97 2.60 3.07 -1.13 -3.19 117.51 118.25 1j3g h ILE 67 Ca 0.00 -0.35 0.32 0.00 1.55 0.00 0.00 64.86 66.39 1j3g h ILE 67 Cb 0.72 -0.01 -0.17 0.00 -0.27 0.00 0.00 36.82 37.09 1j3g h ILE 67 CO -0.21 0.19 0.31 0.00 -1.05 0.00 0.00 178.15 177.38 1j3g h ALA 68 N 1.52 1.63 -0.32 0.16 0.00 -1.57 0.69 119.26 121.37 1j3g h ALA 68 Ca 0.36 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 1j3g h ALA 68 Cb 0.14 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1j3g h ALA 68 CO -0.13 -0.68 0.14 0.45 0.00 0.00 0.00 179.25 179.03 1j3g h HIS 69 N 0.08 0.42 -3.40 0.00 3.86 -1.71 -3.40 115.15 111.01 1j3g h HIS 69 Ca 0.69 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 59.35 1j3g h HIS 69 Cb 1.61 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.90 1j3g h HIS 69 CO -0.23 0.33 0.12 -0.51 0.86 0.00 0.00 177.93 178.50 1j3g s LEU 70 N -9.28 4.47 0.48 2.43 1.02 0.23 -5.04 118.68 112.99 1j3g s LEU 70 Ca -0.07 1.41 -0.23 0.00 0.02 0.00 0.00 54.13 55.25 1j3g s LEU 70 Cb 0.17 -3.16 -0.07 0.00 0.02 0.00 0.00 46.19 43.15 1j3g s LEU 70 CO 0.73 0.08 1.26 0.00 0.02 0.00 0.00 176.35 178.44 1j3g s ARG 71 N -0.31 3.56 0.30 1.70 3.03 -1.26 -4.95 118.95 121.02 1j3g s ARG 71 Ca 0.36 2.02 0.10 0.00 2.03 0.00 0.00 55.73 60.24 1j3g s ARG 71 Cb -0.20 -2.41 -0.05 0.00 -1.03 0.00 0.00 34.95 31.25 1j3g s ARG 71 CO 0.22 -0.78 -0.07 0.14 -1.13 0.00 0.00 175.30 173.67 1j3g s VAL 72 N -1.40 2.77 -0.29 4.99 -7.23 -1.26 -4.86 120.40 113.12 1j3g s VAL 72 Ca 0.65 -2.13 -0.25 0.00 -1.81 0.00 0.00 61.98 58.45 1j3g s VAL 72 Cb -0.35 -2.63 0.17 0.00 0.56 0.00 0.00 36.38 34.14 1j3g s VAL 72 CO 0.42 -0.32 1.34 -0.44 -0.31 0.00 0.00 175.10 175.80 1j3g s SER 73 N -3.62 -0.15 0.00 4.85 0.01 -1.21 -4.66 113.70 108.92 1j3g s SER 73 Ca 0.32 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1j3g s SER 73 Cb -0.03 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1j3g s SER 73 CO 0.18 -0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.78 1j3g n ALA 74 N 1.75 0.00 0.09 1.44 0.00 -1.26 -1.77 120.51 120.75 1j3g n ALA 74 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1j3g n ALA 74 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -0.02 -1.23 -3.78 0.00 8.25 -1.15 -4.45 115.22 112.84 1j3g n HIS 75 Ca 0.00 0.22 -0.24 0.00 -0.26 0.00 0.00 57.72 57.44 1j3g n HIS 75 Cb 0.00 0.31 -0.17 0.00 1.12 0.00 0.00 29.99 31.24 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 1.94 4.09 -0.36 0.00 2.96 0.26 -0.53 118.68 127.04 1j3g s LEU 77 Ca 0.05 -0.78 -0.18 0.00 -0.22 0.00 0.00 54.13 52.99 1j3g s LEU 77 Cb -0.13 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1j3g s LEU 77 CO -0.06 -0.24 0.50 -0.63 -1.32 0.00 0.00 176.35 174.60 1j3g s ILE 78 N 1.51 5.02 0.38 6.68 1.01 -0.71 -0.67 121.20 134.42 1j3g s ILE 78 Ca 0.02 0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.66 1j3g s ILE 78 Cb -0.18 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 1j3g s ILE 78 CO 0.04 -0.25 1.03 -0.60 0.00 0.00 0.00 174.94 175.16 1j3g s ARG 79 N 2.36 4.27 0.66 2.79 3.52 0.38 -0.57 118.95 132.35 1j3g s ARG 79 Ca 0.18 1.50 0.27 0.00 -0.13 0.00 0.00 55.73 57.54 1j3g s ARG 79 Cb -0.16 -2.62 1.44 0.00 -1.56 0.00 0.00 34.95 32.06 1j3g s ARG 79 CO 0.14 -0.05 1.82 0.07 -0.81 0.00 0.00 175.30 176.47 1j3g h ARG 80 N 2.68 0.00 -1.00 5.12 -0.00 -1.85 -2.05 114.38 117.29 1j3g h ARG 80 Ca -0.48 0.00 -0.29 0.00 -0.00 0.00 0.00 59.98 59.21 1j3g h ARG 80 Cb 1.21 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 31.00 1j3g h ARG 80 CO 0.63 0.00 0.37 -3.47 -0.00 0.00 0.00 179.97 177.50 1j3g n ASP 81 N -2.92 3.43 -3.23 0.08 2.03 -1.26 -3.95 116.55 110.73 1j3g n ASP 81 Ca -0.01 -2.92 -0.15 0.00 0.52 0.00 0.00 54.79 52.23 1j3g n ASP 81 Cb 0.48 -0.69 0.08 0.00 -0.72 0.00 0.00 41.12 40.26 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 -0.44 -0.47 2.95 0.27 0.00 -0.78 -5.05 105.19 101.68 1j3g n GLY 82 Ca 0.34 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 -5.04 1.83 -0.36 1.61 2.02 -1.16 -4.93 118.70 112.67 1j3g s GLU 83 Ca 0.10 -0.55 -0.27 0.00 0.02 0.00 0.00 54.97 54.27 1j3g s GLU 83 Cb -0.01 -2.05 0.02 0.00 0.10 0.00 0.00 34.13 32.19 1j3g s GLU 83 CO 0.68 -0.34 0.97 0.42 0.02 0.00 0.00 175.26 177.00 1j3g s ILE 84 N 1.55 4.56 -0.03 -1.63 1.01 -1.26 -0.47 121.20 124.92 1j3g s ILE 84 Ca 0.02 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.01 1j3g s ILE 84 Cb -0.14 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1j3g s ILE 84 CO -0.09 -0.54 -0.06 -0.69 0.00 0.00 0.00 174.94 173.56 1j3g s VAL 85 N 3.54 3.71 -0.22 2.92 1.01 0.15 -0.85 120.40 130.67 1j3g s VAL 85 Ca 0.40 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1j3g s VAL 85 Cb -0.12 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1j3g s VAL 85 CO 0.18 0.49 -0.13 -1.58 0.00 0.00 0.00 175.10 174.06 1j3g s GLN 86 N -1.14 2.40 -0.23 2.72 0.74 -0.03 -0.57 119.66 123.54 1j3g s GLN 86 Ca 0.15 -1.07 -0.06 0.00 0.05 0.00 0.00 55.36 54.44 1j3g s GLN 86 Cb -0.11 -2.68 -0.02 0.00 1.10 0.00 0.00 33.01 31.30 1j3g s GLN 86 CO 0.05 -0.43 0.01 0.71 -0.55 0.00 0.00 175.29 175.08 1j3g s TYR 87 N 1.23 3.02 -0.25 1.67 2.02 -1.07 -1.42 117.35 122.56 1j3g s TYR 87 Ca -0.03 -0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 55.99 1j3g s TYR 87 Cb -0.17 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1j3g s TYR 87 CO -0.08 -0.44 0.06 0.28 -1.57 0.00 0.00 175.55 173.80 1j3g n VAL 88 N 4.84 -9.53 -1.20 0.71 0.31 -1.26 -2.93 118.33 109.27 1j3g n VAL 88 Ca -0.17 1.31 -0.30 0.00 -0.01 0.00 0.00 64.34 65.16 1j3g n VAL 88 Cb 0.51 -6.27 0.24 0.00 -0.91 0.00 0.00 33.84 27.41 1j3g n VAL 88 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1j3g s PRO 89 N -1.37 -1.04 0.00 5.55 0.04 -1.26 -4.55 135.00 132.36 1j3g s PRO 89 Ca 0.03 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 60.92 1j3g s PRO 89 Cb -0.01 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1j3g s PRO 89 CO 0.59 -3.58 0.01 1.19 0.04 0.00 0.00 177.00 175.25 1j3g n PHE 90 N -4.65 0.00 -3.76 0.56 3.01 -1.26 -4.48 117.46 106.88 1j3g n PHE 90 Ca 0.14 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.32 1j3g n PHE 90 Cb 0.60 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.90 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1j3g s ASP 91 N -0.42 2.85 0.00 4.37 -1.08 -1.26 -4.91 116.67 116.22 1j3g s ASP 91 Ca 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 52.55 51.26 1j3g s ASP 91 Cb 0.00 -0.63 0.00 0.00 -1.46 0.00 0.00 42.92 40.83 1j3g s ASP 91 CO 0.00 -0.29 0.00 1.17 0.52 0.00 0.00 175.17 176.57 1j3g n LYS 92 N 5.03 0.00 -0.76 4.34 3.00 -1.26 -5.06 118.16 123.44 1j3g n LYS 92 Ca -0.09 0.34 -0.26 0.00 -0.00 0.00 0.00 58.31 58.30 1j3g n LYS 92 Cb 0.47 -0.93 0.02 0.00 0.00 0.00 0.00 35.03 34.59 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 -0.24 0.00 -4.32 1.64 0.63 -1.26 -4.85 116.66 108.25 1j3g n ARG 93 Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 1j3g n ARG 93 Cb 0.00 -0.70 -0.06 0.00 0.45 0.00 0.00 32.46 32.15 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 -1.49 0.41 -3.64 5.13 0.00 -1.26 -3.76 120.51 115.91 1j3g n ALA 94 Ca 0.01 -1.98 -0.15 0.00 0.00 0.00 0.00 53.44 51.32 1j3g n ALA 94 Cb 0.37 1.14 -0.14 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.70 -0.36 -0.44 0.00 -0.00 -0.73 -4.75 118.94 109.96 1j3g s TRP 95 Ca 0.05 0.79 0.07 0.00 -0.00 0.00 0.00 56.10 57.01 1j3g s TRP 95 Cb 0.00 -0.13 0.30 0.00 -0.00 0.00 0.00 33.47 33.65 1j3g s TRP 95 CO 0.03 -0.37 0.95 -2.39 -0.00 0.00 0.00 176.95 175.17 1j3g n HIS 96 N 5.34 -2.22 0.13 5.86 1.44 -1.25 -3.29 115.22 121.23 1j3g n HIS 96 Ca -0.06 -2.47 0.00 0.00 -2.01 0.00 0.00 57.72 53.18 1j3g n HIS 96 Cb 0.50 1.09 0.00 0.00 0.12 0.00 0.00 29.99 31.70 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 0.69 0.00 0.00 1.59 0.00 -1.26 -4.93 120.51 116.60 1j3g n ALA 97 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 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 2.03 2.78 0.00 0.00 -1.26 -4.87 105.19 102.40 1j3g n GLY 98 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 0.02 -0.07 1.61 1.01 -1.26 -4.02 120.40 117.69 1j3g s VAL 99 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1j3g s VAL 99 Cb 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.33 1j3g s VAL 99 CO 0.00 0.12 0.88 -0.94 0.00 0.00 0.00 175.10 175.16 1j3g s SER 100 N 1.18 -0.43 -0.08 3.32 1.04 -1.23 -4.76 113.70 112.74 1j3g s SER 100 Ca -0.08 0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.45 1j3g s SER 100 Cb -0.13 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1j3g s SER 100 CO -0.03 -0.53 0.45 -0.94 0.98 0.00 0.00 173.24 173.18 1j3g s SER 101 N -1.72 -0.40 0.04 7.02 1.04 -1.26 -0.77 113.70 117.64 1j3g s SER 101 Ca -0.01 0.53 -0.19 0.00 0.48 0.00 0.00 55.95 56.76 1j3g s SER 101 Cb -0.01 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1j3g s SER 101 CO -0.02 -0.39 0.44 -0.47 0.98 0.00 0.00 173.24 173.78 1j3g s TYR 102 N -0.77 -0.30 -1.30 5.02 5.04 -0.56 -4.27 117.35 120.22 1j3g s TYR 102 Ca -0.08 0.29 -0.18 0.00 -2.44 0.00 0.00 57.07 54.65 1j3g s TYR 102 Cb -0.03 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.55 1j3g s TYR 102 CO 0.04 -0.59 0.35 1.04 -1.34 0.00 0.00 175.55 175.05 1j3g n GLN 103 N 0.50 -0.56 -2.85 4.97 6.02 -1.26 -1.57 117.38 122.62 1j3g n GLN 103 Ca -0.18 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.64 1j3g n GLN 103 Cb 0.60 -2.77 0.02 0.00 1.02 0.00 0.00 30.24 29.11 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 -2.26 -0.52 2.75 1.08 0.00 -1.26 -4.99 105.19 99.99 1j3g n GLY 104 Ca -0.20 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1j3g n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3g s ARG 105 N -5.53 0.45 -0.13 1.61 3.52 -0.61 -5.15 118.95 113.12 1j3g s ARG 105 Ca 0.22 0.17 -0.07 0.00 -0.13 0.00 0.00 55.73 55.91 1j3g s ARG 105 Cb -0.10 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.37 1j3g s ARG 105 CO 0.27 -0.31 0.13 -2.00 -0.81 0.00 0.00 175.30 172.58 1j3g s GLU 106 N 2.02 3.51 -0.23 5.12 2.12 -1.26 -1.50 118.70 128.48 1j3g s GLU 106 Ca 0.05 -0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.19 1j3g s GLU 106 Cb -0.12 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1j3g s GLU 106 CO -0.05 0.71 -0.05 1.03 -0.54 0.00 0.00 175.26 176.36 1j3g s ARG 107 N -0.84 3.17 0.23 4.30 0.52 0.05 -4.99 118.95 121.40 1j3g s ARG 107 Ca 0.14 -0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1j3g s ARG 107 Cb -0.12 -2.99 0.29 0.00 0.52 0.00 0.00 34.95 32.65 1j3g s ARG 107 CO 0.03 -0.27 1.87 0.00 0.02 0.00 0.00 175.30 176.95 1j3g s ASN 109 N -5.83 0.75 -1.30 0.00 0.02 -1.26 -4.57 114.94 102.76 1j3g s ASN 109 Ca -0.13 -1.41 -0.15 0.00 -1.02 0.00 0.00 52.86 50.15 1j3g s ASN 109 Cb 0.18 0.64 0.11 0.00 0.02 0.00 0.00 41.25 42.19 1j3g s ASN 109 CO 0.79 -1.26 1.76 -0.67 0.02 0.00 0.00 177.10 177.74 1j3g n ASP 110 N -1.23 4.85 -1.60 -1.22 -0.08 -1.26 -4.78 116.55 111.23 1j3g n ASP 110 Ca 0.01 -2.95 -0.11 0.00 -1.51 0.00 0.00 54.79 50.23 1j3g n ASP 110 Cb 0.62 -1.65 0.05 0.00 2.34 0.00 0.00 41.12 42.48 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 6.60 1.18 -4.17 -0.67 1.16 -1.26 -4.53 117.46 115.77 1j3g n PHE 111 Ca 0.45 -1.30 -0.17 0.00 -1.87 0.00 0.00 57.45 54.56 1j3g n PHE 111 Cb 0.42 -0.65 -0.15 0.00 -1.61 0.00 0.00 39.48 37.50 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 0.30 0.71 -1.08 5.98 0.01 -1.26 -4.15 113.70 114.20 1j3g s SER 112 Ca 0.23 -0.10 -0.08 0.00 1.31 0.00 0.00 55.95 57.30 1j3g s SER 112 Cb 0.18 -0.15 -0.14 0.00 0.21 0.00 0.00 66.02 66.13 1j3g s SER 112 CO 0.02 0.04 3.05 0.00 0.41 0.00 0.00 173.24 176.76 1j3g n ILE 113 N 3.20 3.73 0.00 1.44 0.00 -1.26 -4.84 119.36 121.62 1j3g n ILE 113 Ca -0.16 -2.14 0.00 0.00 0.00 0.00 0.00 62.75 60.45 1j3g n ILE 113 Cb 0.56 -2.39 0.00 0.00 0.00 0.00 0.00 39.64 37.82 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 3.28 0.94 3.16 4.50 0.00 -1.21 -4.77 105.19 111.10 1j3g n GLY 114 Ca 0.65 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 0.51 0.15 -0.03 -0.61 -1.09 -1.26 -4.39 121.20 114.48 1j3g s ILE 115 Ca 0.00 -1.63 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 1j3g s ILE 115 Cb 0.00 -1.65 0.03 0.00 -1.58 0.00 0.00 42.46 39.26 1j3g s ILE 115 CO 0.00 -0.69 0.00 -0.70 -1.23 0.00 0.00 174.94 172.32 1j3g s GLU 116 N -3.94 0.28 0.32 2.79 2.12 0.31 -3.31 118.70 117.25 1j3g s GLU 116 Ca 0.12 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.51 1j3g s GLU 116 Cb 0.07 -0.46 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 1j3g s GLU 116 CO -0.06 -0.13 0.54 -0.51 -0.54 0.00 0.00 175.26 174.57 1j3g s LEU 117 N 0.98 4.03 0.12 2.70 1.02 -1.19 -1.74 118.68 124.60 1j3g s LEU 117 Ca -0.10 0.56 0.05 0.00 0.02 0.00 0.00 54.13 54.66 1j3g s LEU 117 Cb -0.13 -3.40 -0.04 0.00 0.02 0.00 0.00 46.19 42.64 1j3g s LEU 117 CO -0.02 -0.25 -0.12 -0.70 0.02 0.00 0.00 176.35 175.29 1j3g s GLU 118 N -3.96 0.97 0.11 1.70 -6.30 0.26 -2.63 118.70 108.84 1j3g s GLU 118 Ca 0.42 -1.25 -0.24 0.00 -2.50 0.00 0.00 54.97 51.39 1j3g s GLU 118 Cb -0.10 -0.72 0.08 0.00 0.00 0.00 0.00 34.13 33.39 1j3g s GLU 118 CO 0.34 0.12 1.14 0.20 0.02 0.00 0.00 175.26 177.07 1j3g s GLY 119 N -2.57 0.03 -0.17 -1.50 0.00 -0.87 -2.85 107.32 99.39 1j3g s GLY 119 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 1j3g s GLY 119 CO 0.02 3.74 0.29 -0.51 0.00 0.00 0.00 173.10 176.64 1j3g s THR 120 N -2.09 -0.46 -1.33 0.90 -4.23 -1.26 -4.49 115.64 102.68 1j3g s THR 120 Ca 0.25 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1j3g s THR 120 Cb -0.02 -0.58 0.02 0.00 1.34 0.00 0.00 72.50 73.26 1j3g s THR 120 CO 0.03 0.01 0.25 -0.67 -0.54 0.00 0.00 174.62 173.70 1j3g n ASP 121 N 5.35 -4.65 -3.63 3.99 2.03 -1.26 -1.79 116.55 116.59 1j3g n ASP 121 Ca -0.06 -0.09 -0.27 0.00 0.52 0.00 0.00 54.79 54.89 1j3g n ASP 121 Cb 0.50 -3.86 0.01 0.00 -0.72 0.00 0.00 41.12 37.04 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 -3.86 -1.41 -2.03 5.18 -2.24 -1.26 -4.97 114.28 103.69 1j3g n THR 122 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 1j3g n THR 122 Cb 0.61 -2.28 0.01 0.00 -2.10 0.00 0.00 70.33 66.58 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 -6.87 3.93 -0.23 3.22 2.96 -0.74 -4.80 118.68 116.14 1j3g s LEU 123 Ca 0.53 2.52 -0.21 0.00 -0.22 0.00 0.00 54.13 56.75 1j3g s LEU 123 Cb -0.27 -4.26 -0.09 0.00 0.50 0.00 0.00 46.19 42.06 1j3g s LEU 123 CO 0.65 -1.23 0.91 0.00 -1.32 0.00 0.00 176.35 175.35 1j3g n ALA 124 N -0.76 -0.16 0.97 5.97 0.00 -1.26 -4.84 120.51 120.43 1j3g n ALA 124 Ca 0.09 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.80 1j3g n ALA 124 Cb 0.47 -0.94 0.59 0.00 0.00 0.00 0.00 19.45 19.56 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 2.91 0.00 -2.42 0.00 4.02 -1.26 -4.74 117.16 115.67 1j3g n TYR 125 Ca 0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.07 1j3g n TYR 125 Cb -0.02 -0.47 0.01 0.00 -0.02 0.00 0.00 39.34 38.83 1j3g n TYR 125 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1j3g n THR 126 N -1.47 -7.79 -0.13 -0.72 -2.24 -1.25 -4.47 114.28 96.21 1j3g n THR 126 Ca 0.07 0.42 0.10 0.00 -2.27 0.00 0.00 64.05 62.37 1j3g n THR 126 Cb 0.30 -6.09 0.17 0.00 -2.10 0.00 0.00 70.33 62.61 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 -0.64 0.03 -0.32 3.42 9.92 -1.26 -0.31 116.55 127.39 1j3g n ASP 127 Ca 0.06 0.28 0.21 0.00 -0.53 0.00 0.00 54.79 54.80 1j3g n ASP 127 Cb 0.35 -0.14 0.41 0.00 -0.64 0.00 0.00 41.12 41.10 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 0.30 1.62 -0.64 2.24 0.00 -1.98 0.90 119.26 121.69 1j3g h ALA 128 Ca 0.20 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.46 1j3g h ALA 128 Cb 0.73 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1j3g h ALA 128 CO -0.06 -0.67 0.32 1.96 0.00 0.00 0.00 179.25 180.80 1j3g h GLN 129 N 0.10 0.55 -0.65 0.00 4.20 -0.88 0.16 115.11 118.59 1j3g h GLN 129 Ca 0.69 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.36 1j3g h GLN 129 Cb 1.58 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.20 1j3g h GLN 129 CO -0.77 0.37 0.41 1.88 -0.67 0.00 0.00 178.83 180.05 1j3g h TYR 130 N 0.57 0.84 0.48 2.96 0.05 -1.02 0.18 116.97 121.03 1j3g h TYR 130 Ca 0.31 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.07 1j3g h TYR 130 Cb 0.28 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1j3g h TYR 130 CO -0.11 0.56 -0.23 1.96 -1.05 0.00 0.00 178.16 179.29 1j3g h GLN 131 N 0.88 -0.62 -0.44 4.88 4.20 -0.98 -0.97 115.11 122.07 1j3g h GLN 131 Ca 0.24 0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 1j3g h GLN 131 Cb -0.05 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1j3g h GLN 131 CO -0.05 -0.34 0.01 1.96 -0.67 0.00 0.00 178.83 179.74 1j3g h GLN 132 N -0.80 0.76 -0.29 1.46 4.20 -0.96 -0.02 115.11 119.47 1j3g h GLN 132 Ca -0.07 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.44 1j3g h GLN 132 Cb 0.56 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1j3g h GLN 132 CO 0.11 0.82 0.11 1.25 -0.67 0.00 0.00 178.83 180.45 1j3g h LEU 133 N 0.60 0.13 -0.42 1.46 5.85 -0.68 0.46 115.31 122.71 1j3g h LEU 133 Ca 0.13 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1j3g h LEU 133 Cb 0.47 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1j3g h LEU 133 CO 0.02 0.11 0.26 0.00 -0.34 0.00 0.00 178.44 178.48 1j3g h ALA 134 N 1.18 0.53 -0.05 1.25 0.00 -0.93 0.37 119.26 121.61 1j3g h ALA 134 Ca 0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1j3g h ALA 134 Cb 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1j3g h ALA 134 CO -0.12 -0.06 -0.25 0.00 0.00 0.00 0.00 179.25 178.81 1j3g h ALA 135 N 1.18 -0.30 0.06 0.00 0.00 -0.40 0.27 119.26 120.07 1j3g h ALA 135 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1j3g h ALA 135 Cb -0.01 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1j3g h ALA 135 CO -0.06 -0.74 -0.20 0.28 0.00 0.00 0.00 179.25 178.52 1j3g h VAL 136 N -0.36 0.53 0.59 0.00 2.07 -0.65 -0.93 116.25 117.50 1j3g h VAL 136 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1j3g h VAL 136 Cb 0.47 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1j3g h VAL 136 CO -0.26 0.00 -0.39 0.74 0.02 0.00 0.00 177.57 177.68 1j3g h THR 137 N -0.36 0.21 -0.48 2.57 2.02 -0.53 0.15 112.91 116.49 1j3g h THR 137 Ca 0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.28 1j3g h THR 137 Cb 0.40 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1j3g h THR 137 CO -0.15 0.00 0.20 0.78 0.37 0.00 0.00 175.52 176.72 1j3g h ASN 138 N -0.93 0.25 -0.29 4.18 -0.26 -0.45 -0.29 115.58 117.79 1j3g h ASN 138 Ca -0.07 0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.56 1j3g h ASN 138 Cb 0.76 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.03 1j3g h ASN 138 CO 0.05 0.17 -0.42 0.00 -1.06 0.00 0.00 177.43 176.18 1j3g h ALA 139 N 1.30 0.44 -0.78 -0.83 0.00 -1.05 -2.89 119.26 115.45 1j3g h ALA 139 Ca 0.22 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1j3g h ALA 139 Cb 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1j3g h ALA 139 CO -0.20 0.55 0.46 -0.07 0.00 0.00 0.00 179.25 180.00 1j3g h LEU 140 N 0.55 0.71 -0.93 0.00 3.38 -0.27 -2.54 115.31 116.20 1j3g h LEU 140 Ca 0.03 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1j3g h LEU 140 Cb 1.01 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 1j3g h LEU 140 CO 0.10 0.45 0.56 0.40 0.09 0.00 0.00 178.44 180.04 1j3g h ILE 141 N 0.84 0.91 0.00 1.22 2.04 -0.97 0.13 117.51 121.67 1j3g h ILE 141 Ca 0.35 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1j3g h ILE 141 Cb 0.20 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1j3g h ILE 141 CO -0.19 0.17 0.02 0.41 0.00 0.00 0.00 178.15 178.56 1j3g n THR 142 N -4.67 1.33 -0.05 -0.27 -1.04 -0.96 -2.85 114.28 105.76 1j3g n THR 142 Ca 0.17 0.65 -0.09 0.00 -2.04 0.00 0.00 64.05 62.74 1j3g n THR 142 Cb 0.32 -1.65 -0.05 0.00 -1.82 0.00 0.00 70.33 67.13 1j3g n THR 142 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j3g n ARG 143 N -1.97 0.26 -3.93 -2.82 5.12 0.21 -4.88 116.66 108.64 1j3g n ARG 143 Ca -0.01 0.08 -0.30 0.00 -1.93 0.00 0.00 57.85 55.69 1j3g n ARG 143 Cb 0.05 -1.10 -0.16 0.00 -1.16 0.00 0.00 32.46 30.09 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 -2.21 2.16 -0.45 -1.55 2.02 0.13 -5.06 117.35 112.39 1j3g s TYR 144 Ca -0.15 -1.49 -0.17 0.00 -0.37 0.00 0.00 57.07 54.89 1j3g s TYR 144 Cb 0.05 -1.50 0.05 0.00 -0.40 0.00 0.00 41.96 40.15 1j3g s TYR 144 CO 0.23 -0.72 0.43 -1.25 -1.57 0.00 0.00 175.55 172.67 1j3g s PRO 145 N 1.48 3.04 0.17 -1.71 0.04 -1.19 -4.05 135.00 132.78 1j3g s PRO 145 Ca -0.02 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 59.98 1j3g s PRO 145 Cb -0.17 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1j3g s PRO 145 CO -0.07 -0.96 0.00 0.00 0.04 0.00 0.00 177.00 176.01 1j3g n ALA 146 N 5.49 1.23 -0.27 8.56 0.00 -1.26 -4.95 120.51 129.31 1j3g n ALA 146 Ca -0.10 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.62 1j3g n ALA 146 Cb 0.46 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.54 1j3g n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1j3g h ILE 147 N 0.00 0.52 -0.13 0.00 2.04 -1.79 -0.20 117.51 117.96 1j3g h ILE 147 Ca 0.00 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1j3g h ILE 147 Cb 0.00 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1j3g h ILE 147 CO 0.00 0.03 0.46 0.00 0.00 0.00 0.00 178.15 178.64 1j3g h ALA 148 N 1.54 1.63 0.00 1.87 0.00 -1.92 -0.54 119.26 121.85 1j3g h ALA 148 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1j3g h ALA 148 Cb 1.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1j3g h ALA 148 CO -0.12 -0.52 -0.28 0.09 0.00 0.00 0.00 179.25 178.41 1j3g n ASN 149 N -3.04 0.74 -3.34 0.00 3.02 -0.10 -4.56 115.26 107.97 1j3g n ASN 149 Ca 0.01 -2.19 -0.24 0.00 -0.03 0.00 0.00 54.58 52.14 1j3g n ASN 149 Cb 0.54 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.39 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1j3g s ASN 150 N -1.40 1.45 -0.07 6.41 -0.87 -0.21 -4.92 114.94 115.34 1j3g s ASN 150 Ca 0.09 -2.50 0.01 0.00 -1.57 0.00 0.00 52.86 48.89 1j3g s ASN 150 Cb 0.08 -0.04 0.02 0.00 -0.02 0.00 0.00 41.25 41.28 1j3g s ASN 150 CO 0.01 -0.21 -0.09 -0.04 -2.57 0.00 0.00 177.10 174.20 1j3g s MET 151 N 0.59 1.45 0.00 -0.60 -1.94 -1.26 -2.34 119.30 115.20 1j3g s MET 151 Ca 0.27 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1j3g s MET 151 Cb -0.06 -1.30 0.00 0.00 2.01 0.00 0.00 34.83 35.48 1j3g s MET 151 CO -0.11 -0.06 0.00 -2.37 -0.01 0.00 0.00 175.02 172.48 1j3g n THR 152 N 4.10 0.00 0.00 2.05 5.66 -0.67 -5.00 114.28 120.42 1j3g n THR 152 Ca -0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1j3g n THR 152 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1j3g n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3g n GLY 153 N 0.00 3.96 0.01 1.09 0.00 -1.26 0.02 105.19 109.01 1j3g n GLY 153 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.73 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 0.32 1.61 -0.00 0.14 -4.52 115.22 112.77 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 -0.12 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 -1.81 5.78 0.21 0.00 5.15 -0.96 -4.29 115.26 119.34 1j3g n ASN 156 Ca -0.01 -2.90 0.15 0.00 -0.60 0.00 0.00 54.58 51.23 1j3g n ASN 156 Cb 0.37 -1.00 0.62 0.00 -0.53 0.00 0.00 39.78 39.25 1j3g n ASN 156 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1j3g h ILE 157 N 0.90 0.00 0.00 -1.44 -2.65 -1.78 -3.41 117.51 109.13 1j3g h ILE 157 Ca 0.24 -0.32 0.00 0.00 1.03 0.00 0.00 64.86 65.81 1j3g h ILE 157 Cb 1.06 1.17 0.00 0.00 -2.05 0.00 0.00 36.82 37.00 1j3g h ILE 157 CO 0.59 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.77 1j3g n ALA 158 N -1.93 0.75 -2.52 0.16 0.00 -1.26 -4.62 120.51 111.09 1j3g n ALA 158 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1j3g n ALA 158 Cb 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 1j3g n ALA 158 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3g s PRO 159 N -2.00 3.28 0.58 0.00 0.04 -1.26 -4.96 135.00 130.68 1j3g s PRO 159 Ca 0.00 -0.39 0.28 0.00 0.04 0.00 0.00 61.00 60.93 1j3g s PRO 159 Cb 0.00 -3.95 1.69 0.00 0.04 0.00 0.00 34.50 32.29 1j3g s PRO 159 CO 0.00 -0.98 2.17 1.49 0.04 0.00 0.00 177.00 179.72 1j3g h GLU 160 N 8.84 0.00 -0.07 4.56 4.81 -1.89 -2.80 114.58 128.04 1j3g h GLU 160 Ca -0.26 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1j3g h GLU 160 Cb 1.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1j3g h GLU 160 CO 0.88 0.00 0.08 -0.09 -0.73 0.00 0.00 179.01 179.15 1j3g h ARG 161 N 0.00 0.00 -5.48 1.92 9.65 -1.94 -3.39 114.38 115.15 1j3g h ARG 161 Ca 0.05 0.00 -0.52 0.00 -1.10 0.00 0.00 59.98 58.41 1j3g h ARG 161 Cb 0.25 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 28.53 1j3g h ARG 161 CO -0.00 0.00 -0.82 0.15 2.80 0.00 0.00 179.97 182.09 1j3g s LYS 162 N -4.63 1.31 0.00 0.20 1.02 -1.06 -4.95 119.74 111.64 1j3g s LYS 162 Ca -0.05 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1j3g s LYS 162 Cb 0.15 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 1j3g s LYS 162 CO 0.54 0.34 0.00 2.41 -0.92 0.00 0.00 175.35 177.72 1j3g n THR 163 N 2.72 0.00 -3.95 2.17 -1.04 -1.26 -2.27 114.28 110.64 1j3g n THR 163 Ca -0.15 -0.11 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 1j3g n THR 163 Cb 0.54 0.56 0.01 0.00 -1.82 0.00 0.00 70.33 69.62 1j3g n THR 163 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j3g s ASP 164 N -1.01 0.00 -1.08 8.00 2.15 -1.26 -0.68 116.67 122.78 1j3g s ASP 164 Ca 0.00 -0.28 -0.22 0.00 0.43 0.00 0.00 52.55 52.48 1j3g s ASP 164 Cb 0.00 0.21 -0.01 0.00 -0.30 0.00 0.00 42.92 42.81 1j3g s ASP 164 CO 0.00 -0.41 1.79 -2.16 -0.17 0.00 0.00 175.17 174.22 1j3g s PRO 165 N -2.07 3.05 0.00 4.34 0.04 -1.26 -3.90 135.00 135.20 1j3g s PRO 165 Ca 0.27 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.28 1j3g s PRO 165 Cb -0.01 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1j3g s PRO 165 CO 0.00 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.40 1j3g n GLY 166 N 6.32 0.72 0.00 0.56 0.00 -1.26 -4.99 105.19 106.54 1j3g n GLY 166 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1j3g n GLY 166 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3g n PRO 167 N 0.00 0.00 -3.84 1.61 -0.04 -1.25 -4.58 135.00 126.89 1j3g n PRO 167 Ca 0.00 0.47 -0.27 0.00 -0.04 0.00 0.00 63.50 63.65 1j3g n PRO 167 Cb 0.00 -1.08 0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1j3g n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 168 N -1.91 -3.84 -1.82 3.54 2.88 -1.26 -4.80 113.62 106.41 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 0.39 0.00 -0.75 0.00 0.00 64.21 59.88 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 -4.59 1.95 -3.66 0.66 7.35 -1.26 -4.97 117.46 112.93 1j3g n PHE 169 Ca -0.06 -0.69 -0.22 0.00 -0.76 0.00 0.00 57.45 55.73 1j3g n PHE 169 Cb 0.57 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.95 1j3g n PHE 169 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1j3g n ASP 170 N 0.73 -5.33 0.07 -2.13 -0.08 -1.26 -4.54 116.55 104.01 1j3g n ASP 170 Ca 0.27 -0.78 0.16 0.00 -1.51 0.00 0.00 54.79 52.94 1j3g n ASP 170 Cb 1.13 -2.22 0.67 0.00 2.34 0.00 0.00 41.12 43.04 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 0.00 0.01 0.72 -0.67 4.06 -1.97 0.96 115.95 119.05 1j3g h TRP 171 Ca -0.54 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.38 1j3g h TRP 171 Cb 1.34 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.51 1j3g h TRP 171 CO 0.21 0.00 -0.34 0.00 -3.56 0.00 0.00 178.44 174.75 1j3g h ALA 172 N 1.81 -0.97 -0.34 1.49 0.00 -1.99 -1.60 119.26 117.67 1j3g h ALA 172 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1j3g h ALA 172 Cb 0.71 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1j3g h ALA 172 CO -0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 179.25 178.33 1j3g h ARG 173 N -1.25 0.53 0.19 0.00 3.08 -1.73 -0.59 114.38 114.61 1j3g h ARG 173 Ca -0.10 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1j3g h ARG 173 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1j3g h ARG 173 CO 0.16 0.57 -0.09 0.35 -1.07 0.00 0.00 179.97 179.89 1j3g h PHE 174 N 0.51 -0.24 -0.45 3.04 3.57 -0.90 -0.35 116.94 122.12 1j3g h PHE 174 Ca 0.11 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1j3g h PHE 174 Cb 0.35 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1j3g h PHE 174 CO 0.01 0.07 0.26 -0.09 -2.23 0.00 0.00 178.31 176.33 1j3g h ARG 175 N -0.56 0.61 -0.57 1.11 1.12 -1.15 -0.66 114.38 114.28 1j3g h ARG 175 Ca -0.03 -0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.70 1j3g h ARG 175 Cb 0.42 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 1j3g h ARG 175 CO 0.04 0.43 -0.02 0.00 -3.11 0.00 0.00 179.97 177.32 1j3g h ALA 176 N 1.67 0.90 0.43 2.80 0.00 -0.94 -3.33 119.26 120.78 1j3g h ALA 176 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1j3g h ALA 176 Cb -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1j3g h ALA 176 CO -0.03 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.59 1j3g h LEU 177 N 0.91 -0.49-10.28 0.00 3.38 -0.11 -3.46 115.31 105.26 1j3g h LEU 177 Ca 0.16 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.62 1j3g h LEU 177 Cb 0.55 0.13 0.17 0.00 0.09 0.00 0.00 40.66 41.60 1j3g h LEU 177 CO 0.03 -0.05 0.17 -0.69 0.09 0.00 0.00 178.44 177.98 1j3g s VAL 178 N -3.70 2.29 -0.49 1.22 1.01 -0.34 -4.88 120.40 115.50 1j3g s VAL 178 Ca -0.10 0.09 -0.45 0.00 0.00 0.00 0.00 61.98 61.52 1j3g s VAL 178 Cb 0.01 -2.39 -0.19 0.00 0.00 0.00 0.00 36.38 33.80 1j3g s VAL 178 CO 0.33 -0.12 1.89 0.41 0.00 0.00 0.00 175.10 177.61 1j3g n THR 179 N -4.29 0.01 -0.86 3.92 -1.04 -1.26 -4.83 114.28 105.92 1j3g n THR 179 Ca 0.06 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 1j3g n THR 179 Cb 0.55 -0.53 -0.10 0.00 -1.82 0.00 0.00 70.33 68.43 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 5.89 1.69 -3.21 -2.82 -0.04 -1.26 -4.73 135.00 130.52 1j3g n PRO 180 Ca 0.44 -0.77 -0.21 0.00 -0.04 0.00 0.00 63.50 62.92 1j3g n PRO 180 Cb -0.04 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.00 -3.57 -3.14 3.54 2.88 -1.26 -4.89 113.62 109.18 1j3g n SER 181 Ca 0.29 -0.28 0.01 0.00 -1.33 0.00 0.00 58.87 57.56 1j3g n SER 181 Cb 0.75 -2.98 -0.01 0.00 -0.75 0.00 0.00 64.21 61.22 1j3g n SER 181 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j3g s SER 182 N -2.60 -1.35 -0.29 -3.46 0.15 -1.26 -5.12 113.70 99.77 1j3g s SER 182 Ca 0.33 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 1j3g s SER 182 Cb -0.18 1.73 0.19 0.00 -1.71 0.00 0.00 66.02 66.06 1j3g s SER 182 CO 0.41 -0.15 0.78 -2.28 1.20 0.00 0.00 173.24 173.20 1j3g s HIS 183 N 1.87 -1.28 -0.01 3.44 5.04 -1.26 -5.09 115.29 117.99 1j3g s HIS 183 Ca 0.16 0.78 -0.30 0.00 -1.54 0.00 0.00 55.06 54.15 1j3g s HIS 183 Cb -0.03 0.23 -0.06 0.00 0.04 0.00 0.00 32.58 32.77 1j3g s HIS 183 CO -0.08 -0.74 1.48 0.21 -2.34 0.00 0.00 174.74 173.26 1j3g s LYS 184 N 2.88 4.24 0.00 2.88 2.20 -1.26 -5.00 119.74 125.68 1j3g s LYS 184 Ca 0.17 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1j3g s LYS 184 Cb -0.07 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1j3g s LYS 184 CO -0.24 -0.67 0.00 -0.85 -0.36 0.00 0.00 175.35 173.23 1j3g n GLU 185 N 5.87 1.27 -3.48 4.03 0.00 -1.26 -5.13 120.64 121.94 1j3g n GLU 185 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.23 1j3g n GLU 185 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.79 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 -0.01 0.35 0.00 3.44 1.75 -1.26 -5.20 119.30 118.37 1j3g s MET 186 Ca 0.00 0.81 0.00 0.00 -1.25 0.00 0.00 55.69 55.25 1j3g s MET 186 Cb 0.00 -0.01 0.00 0.00 2.84 0.00 0.00 34.83 37.66 1j3g s MET 186 CO 0.00 -0.45 0.00 2.41 -0.65 0.00 0.00 175.02 176.33