#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 4.25 -0.03 -0.89 0.20 -1.26 -5.01 118.68 115.94 1j3g s LEU 2 Ca 0.00 1.79 0.03 0.00 0.69 0.00 0.00 54.13 56.64 1j3g s LEU 2 Cb 0.00 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 1j3g s LEU 2 CO 0.00 -0.65 -0.12 -0.76 -0.29 0.00 0.00 176.35 174.53 1j3g s LEU 3 N 2.67 1.85 -0.04 -0.68 1.43 -1.26 -3.44 118.68 119.21 1j3g s LEU 3 Ca 0.56 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1j3g s LEU 3 Cb -0.24 -0.71 -0.00 0.00 0.03 0.00 0.00 46.19 45.27 1j3g s LEU 3 CO 0.20 0.10 -0.15 -0.62 0.23 0.00 0.00 176.35 176.11 1j3g s ASP 4 N 0.10 1.87 -1.18 2.29 2.15 -0.43 -4.71 116.67 116.76 1j3g s ASP 4 Ca -0.03 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.59 1j3g s ASP 4 Cb -0.09 -0.52 0.05 0.00 -0.30 0.00 0.00 42.92 42.06 1j3g s ASP 4 CO 0.01 0.13 0.35 -0.62 -0.17 0.00 0.00 175.17 174.86 1j3g n GLU 5 N 3.19 -3.13 -0.75 4.34 -0.58 -1.26 -0.26 120.64 122.19 1j3g n GLU 5 Ca -0.18 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1j3g n GLU 5 Cb 0.53 -5.18 0.00 0.00 -0.57 0.00 0.00 31.44 26.23 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 0.39 4.01 0.62 0.00 -1.26 -4.99 105.19 102.90 1j3g n GLY 6 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.14 2.11 0.05 1.61 0.52 0.64 -5.06 118.94 116.67 1j3g s TRP 7 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 56.10 55.24 1j3g s TRP 7 Cb 0.00 -2.27 -0.06 0.00 -1.15 0.00 0.00 33.47 29.99 1j3g s TRP 7 CO 0.00 -0.73 1.37 -1.17 0.02 0.00 0.00 176.95 176.43 1j3g s LEU 8 N -4.47 4.34 0.76 2.99 1.98 -1.26 -1.31 118.68 121.70 1j3g s LEU 8 Ca 0.57 2.17 -0.12 0.00 -2.89 0.00 0.00 54.13 53.85 1j3g s LEU 8 Cb -0.07 -3.57 0.05 0.00 0.66 0.00 0.00 46.19 43.26 1j3g s LEU 8 CO 0.35 -0.66 1.11 0.00 -1.89 0.00 0.00 176.35 175.26 1j3g s ALA 9 N 1.78 2.20 -1.19 5.97 0.00 -1.22 -3.89 121.76 125.40 1j3g s ALA 9 Ca 0.63 0.43 -0.27 0.00 0.00 0.00 0.00 51.96 52.76 1j3g s ALA 9 Cb -0.33 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1j3g s ALA 9 CO 0.28 -1.78 0.50 0.39 0.00 0.00 0.00 175.76 175.16 1j3g n GLU 10 N -3.26 -0.39 -4.63 0.00 -0.58 -1.26 -4.94 120.64 105.58 1j3g n GLU 10 Ca 0.10 0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.64 1j3g n GLU 10 Cb 0.52 -2.42 -0.15 0.00 -0.57 0.00 0.00 31.44 28.83 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 -3.77 1.16 -0.15 0.62 0.00 -1.25 -4.56 121.76 113.81 1j3g s ALA 11 Ca 0.37 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 1j3g s ALA 11 Cb -0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1j3g s ALA 11 CO 0.91 0.27 1.06 0.50 0.00 0.00 0.00 175.76 178.50 1j3g s ARG 12 N -0.25 4.34 -0.19 0.00 3.52 -0.27 -4.92 118.95 121.18 1j3g s ARG 12 Ca 0.04 1.43 -0.25 0.00 -0.13 0.00 0.00 55.73 56.83 1j3g s ARG 12 Cb -0.06 -3.59 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1j3g s ARG 12 CO -0.00 -0.47 0.82 -0.98 -0.81 0.00 0.00 175.30 173.86 1j3g s ARG 13 N 2.55 4.26 -0.43 5.12 3.03 -1.26 -1.61 118.95 130.61 1j3g s ARG 13 Ca 0.48 0.97 0.05 0.00 2.03 0.00 0.00 55.73 59.25 1j3g s ARG 13 Cb -0.18 -3.60 0.18 0.00 -1.03 0.00 0.00 34.95 30.32 1j3g s ARG 13 CO 0.14 -0.38 0.41 0.28 -1.13 0.00 0.00 175.30 174.62 1j3g n VAL 14 N 4.89 -1.02 -2.07 4.99 0.31 -0.69 -4.95 118.33 119.79 1j3g n VAL 14 Ca 0.04 -3.08 -0.42 0.00 -0.01 0.00 0.00 64.34 60.87 1j3g n VAL 14 Cb 0.48 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.13 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 0.13 4.29 0.44 5.55 0.04 -1.26 -3.90 135.00 140.29 1j3g s PRO 15 Ca 0.33 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.35 1j3g s PRO 15 Cb 0.04 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 1j3g s PRO 15 CO -0.18 -0.43 1.18 0.45 0.04 0.00 0.00 177.00 178.07 1j3g s SER 16 N 0.65 6.25 0.34 6.66 0.15 -1.26 -4.95 113.70 121.54 1j3g s SER 16 Ca 0.62 2.36 0.18 0.00 0.70 0.00 0.00 55.95 59.81 1j3g s SER 16 Cb -0.40 -2.61 0.20 0.00 -1.71 0.00 0.00 66.02 61.49 1j3g s SER 16 CO 0.37 -0.86 1.52 1.55 1.20 0.00 0.00 173.24 177.02 1j3g h PRO 17 N 2.25 0.00 -2.66 5.44 0.13 -1.94 -3.45 132.00 131.77 1j3g h PRO 17 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1j3g h PRO 17 Cb 1.25 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.08 1j3g h PRO 17 CO 0.61 0.33 -0.42 -1.58 -0.23 0.00 0.00 178.00 176.71 1j3g s HIS 18 N -3.07 -0.64 0.65 1.56 5.04 -1.26 -5.17 115.29 112.40 1j3g s HIS 18 Ca 0.05 1.29 0.05 0.00 -1.54 0.00 0.00 55.06 54.91 1j3g s HIS 18 Cb 0.07 0.18 0.11 0.00 0.04 0.00 0.00 32.58 32.98 1j3g s HIS 18 CO 0.72 -0.42 0.90 0.71 -2.34 0.00 0.00 174.74 174.31 1j3g s TYR 19 N 2.37 1.35 0.59 3.88 1.51 -1.26 -4.30 117.35 121.50 1j3g s TYR 19 Ca -0.02 -0.57 0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1j3g s TYR 19 Cb -0.12 -2.54 0.09 0.00 -0.11 0.00 0.00 41.96 39.28 1j3g s TYR 19 CO -0.11 -1.46 0.82 -0.51 -1.11 0.00 0.00 175.55 173.18 1j3g s ASP 20 N -4.72 5.00 -0.24 2.29 1.11 -1.26 -4.95 116.67 113.90 1j3g s ASP 20 Ca 0.64 -0.79 -0.07 0.00 0.18 0.00 0.00 52.55 52.52 1j3g s ASP 20 Cb -0.05 0.26 0.11 0.00 1.07 0.00 0.00 42.92 44.31 1j3g s ASP 20 CO 0.42 -1.41 0.49 0.00 1.18 0.00 0.00 175.17 175.85 1j3g s ARG 22 N 2.70 0.97 -1.01 0.00 1.81 -1.26 -5.05 118.95 117.10 1j3g s ARG 22 Ca -0.00 -1.23 -0.06 0.00 -1.72 0.00 0.00 55.73 52.73 1j3g s ARG 22 Cb -0.12 -0.77 0.04 0.00 -0.45 0.00 0.00 34.95 33.65 1j3g s ARG 22 CO -0.15 0.14 2.68 -0.35 -0.68 0.00 0.00 175.30 176.94 1j3g n PRO 23 N 0.49 3.65 -3.91 3.54 -0.04 -1.26 -4.80 135.00 132.68 1j3g n PRO 23 Ca -0.15 -2.77 -0.11 0.00 -0.04 0.00 0.00 63.50 60.43 1j3g n PRO 23 Cb 0.57 -2.47 -0.13 0.00 -0.04 0.00 0.00 33.50 31.44 1j3g n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j3g s ASP 24 N 0.77 0.08 -0.26 3.54 1.01 -1.26 -5.13 116.67 115.41 1j3g s ASP 24 Ca 0.59 -0.16 -0.02 0.00 0.71 0.00 0.00 52.55 53.66 1j3g s ASP 24 Cb 0.25 0.05 0.12 0.00 1.01 0.00 0.00 42.92 44.35 1j3g s ASP 24 CO -0.12 -0.11 0.27 -1.81 0.21 0.00 0.00 175.17 173.61 1j3g s ASP 25 N -0.53 1.59 0.29 0.27 1.01 -1.26 -5.11 116.67 112.94 1j3g s ASP 25 Ca -0.06 -0.55 0.02 0.00 0.71 0.00 0.00 52.55 52.68 1j3g s ASP 25 Cb -0.04 0.46 -0.05 0.00 1.01 0.00 0.00 42.92 44.31 1j3g s ASP 25 CO -0.00 -0.37 0.10 -0.70 0.21 0.00 0.00 175.17 174.41 1j3g s GLU 26 N 2.35 1.54 -0.05 8.23 -6.30 -1.26 -5.11 118.70 118.10 1j3g s GLU 26 Ca 0.09 -1.86 -0.30 0.00 -2.50 0.00 0.00 54.97 50.40 1j3g s GLU 26 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 34.13 33.51 1j3g s GLU 26 CO -0.25 -0.30 1.40 1.21 0.02 0.00 0.00 175.26 177.33 1j3g s ASN 27 N -3.39 6.86 -0.64 -1.70 3.04 -1.26 -4.97 114.94 112.88 1j3g s ASN 27 Ca 0.36 2.02 -0.27 0.00 0.04 0.00 0.00 52.86 55.01 1j3g s ASN 27 Cb 0.07 -2.55 0.03 0.00 -1.54 0.00 0.00 41.25 37.26 1j3g s ASN 27 CO 0.15 -0.75 1.18 -2.16 -3.04 0.00 0.00 177.10 172.48 1j3g s PRO 28 N 2.87 3.36 -0.35 0.43 0.04 -1.26 -4.76 135.00 135.34 1j3g s PRO 28 Ca 0.63 -0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.58 1j3g s PRO 28 Cb -0.29 -4.09 0.22 0.00 0.04 0.00 0.00 34.50 30.38 1j3g s PRO 28 CO 0.24 -1.83 1.11 0.45 0.04 0.00 0.00 177.00 177.01 1j3g n SER 29 N 8.63 -1.51 -3.83 6.66 2.88 -1.26 -4.43 113.62 120.76 1j3g n SER 29 Ca 0.05 -1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 56.32 1j3g n SER 29 Cb 0.49 0.77 -0.13 0.00 -0.75 0.00 0.00 64.21 64.59 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 0.80 1.51 -0.20 2.46 2.96 -1.26 -3.95 118.68 121.00 1j3g s LEU 30 Ca 0.24 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1j3g s LEU 30 Cb 0.14 0.46 -0.03 0.00 0.50 0.00 0.00 46.19 47.26 1j3g s LEU 30 CO -0.10 -0.07 0.04 -0.22 -1.32 0.00 0.00 176.35 174.67 1j3g s LEU 31 N -0.05 3.52 -0.17 -0.68 2.96 -0.78 -3.20 118.68 120.29 1j3g s LEU 31 Ca -0.01 -0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1j3g s LEU 31 Cb -0.01 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1j3g s LEU 31 CO 0.00 0.10 0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 1j3g s VAL 32 N 0.78 4.34 -0.16 1.68 1.01 -1.20 -1.54 120.40 125.32 1j3g s VAL 32 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1j3g s VAL 32 Cb -0.14 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.36 1j3g s VAL 32 CO 0.02 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.93 1j3g s VAL 33 N 0.34 0.51 -0.05 2.92 1.01 -0.52 -4.15 120.40 120.45 1j3g s VAL 33 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1j3g s VAL 33 Cb -0.13 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1j3g s VAL 33 CO 0.02 -0.07 0.63 -1.38 0.00 0.00 0.00 175.10 174.30 1j3g s HIS 34 N 1.88 -0.60 -0.44 5.22 -3.43 -1.26 -4.58 115.29 112.08 1j3g s HIS 34 Ca 0.01 1.03 -0.28 0.00 -0.80 0.00 0.00 55.06 55.02 1j3g s HIS 34 Cb -0.16 0.36 0.03 0.00 -1.43 0.00 0.00 32.58 31.38 1j3g s HIS 34 CO -0.07 -0.57 1.06 1.21 -2.00 0.00 0.00 174.74 174.37 1j3g s ASN 35 N -1.16 6.64 0.42 7.38 3.04 -1.26 -4.09 114.94 125.91 1j3g s ASN 35 Ca -0.11 0.47 0.03 0.00 0.04 0.00 0.00 52.86 53.29 1j3g s ASN 35 Cb -0.01 -2.52 -0.03 0.00 -1.54 0.00 0.00 41.25 37.15 1j3g s ASN 35 CO 0.09 -1.13 0.09 -0.63 -3.04 0.00 0.00 177.10 172.48 1j3g s ILE 36 N 4.11 0.85 -0.30 -5.21 -1.09 -1.13 -4.92 121.20 113.51 1j3g s ILE 36 Ca 0.44 -2.00 -0.12 0.00 -2.23 0.00 0.00 60.65 56.74 1j3g s ILE 36 Cb -0.09 -2.39 0.13 0.00 -1.58 0.00 0.00 42.46 38.53 1j3g s ILE 36 CO 0.27 0.00 0.72 -0.55 -1.23 0.00 0.00 174.94 174.15 1j3g s SER 37 N -3.66 -1.00 0.23 3.58 0.15 -1.26 -1.87 113.70 109.86 1j3g s SER 37 Ca 0.22 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1j3g s SER 37 Cb 0.03 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.34 1j3g s SER 37 CO 0.12 -0.20 0.00 -0.11 1.20 0.00 0.00 173.24 174.25 1j3g n LEU 38 N 5.09 -0.53 -4.78 3.45 -0.00 -1.26 -5.07 117.00 113.90 1j3g n LEU 38 Ca -0.13 0.40 -0.35 0.00 -0.00 0.00 0.00 56.01 55.92 1j3g n LEU 38 Cb 0.52 0.66 -0.01 0.00 -0.00 0.00 0.00 43.42 44.59 1j3g n LEU 38 CO -0.03 -0.60 0.77 -2.84 -0.00 0.00 0.00 177.39 174.68 1j3g s PRO 39 N -2.00 3.58 -0.08 1.96 0.02 -1.26 -4.81 135.00 132.41 1j3g s PRO 39 Ca 0.00 1.56 -0.00 0.00 0.02 0.00 0.00 61.00 62.58 1j3g s PRO 39 Cb 0.00 -2.11 0.06 0.00 0.02 0.00 0.00 34.50 32.46 1j3g s PRO 39 CO 0.00 -0.65 1.97 -0.35 -0.33 0.00 0.00 177.00 177.65 1j3g n PRO 40 N -1.03 1.20 0.00 5.54 -0.04 -1.26 -4.63 135.00 134.79 1j3g n PRO 40 Ca 0.10 -0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1j3g n PRO 40 Cb 0.51 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 1.18 -2.77 3.49 0.55 0.00 -1.26 -4.84 105.19 101.53 1j3g n GLY 41 Ca 0.08 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.68 0.50 -0.23 1.61 2.02 -1.26 -5.15 118.70 113.51 1j3g s GLU 42 Ca 0.00 1.21 -0.37 0.00 0.02 0.00 0.00 54.97 55.83 1j3g s GLU 42 Cb 0.00 0.48 0.15 0.00 0.10 0.00 0.00 34.13 34.86 1j3g s GLU 42 CO 0.00 -0.20 1.32 -0.06 0.02 0.00 0.00 175.26 176.33 1j3g s PHE 43 N 2.42 -0.06 -2.37 1.61 0.08 -1.26 -5.06 117.98 113.35 1j3g s PHE 43 Ca -0.06 0.03 0.23 0.00 0.12 0.00 0.00 56.93 57.25 1j3g s PHE 43 Cb -0.10 0.51 0.49 0.00 -0.57 0.00 0.00 43.02 43.35 1j3g s PHE 43 CO -0.17 -0.10 1.44 0.41 -0.10 0.00 0.00 175.22 176.71 1j3g n GLY 44 N -0.08 1.76 3.64 4.36 0.00 -1.26 -4.94 105.19 108.67 1j3g n GLY 44 Ca 0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.39 1.70 0.55 -0.02 0.00 -1.26 -4.95 107.32 101.96 1j3g s GLY 45 Ca 0.40 -0.16 0.33 0.00 0.00 0.00 0.00 44.72 45.30 1j3g s GLY 45 CO 0.31 1.92 2.04 -0.56 0.00 0.00 0.00 173.10 176.82 1j3g h PRO 46 N 7.83 0.00 -0.82 2.90 0.13 -2.02 -2.95 132.00 137.08 1j3g h PRO 46 Ca -0.22 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1j3g h PRO 46 Cb 1.08 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.12 1j3g h PRO 46 CO 0.92 0.06 0.40 -1.49 -0.23 0.00 0.00 178.00 177.65 1j3g h TRP 47 N 0.00 0.69 -0.37 1.56 4.06 -1.98 -0.20 115.95 119.71 1j3g h TRP 47 Ca -0.00 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 1j3g h TRP 47 Cb 0.43 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1j3g h TRP 47 CO 0.00 0.15 0.03 0.82 -3.56 0.00 0.00 178.44 175.88 1j3g h ILE 48 N 0.57 1.25 -0.26 1.49 1.08 -1.83 -1.81 117.51 118.00 1j3g h ILE 48 Ca 0.45 -0.92 -0.05 0.00 -0.39 0.00 0.00 64.86 63.95 1j3g h ILE 48 Cb 0.64 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1j3g h ILE 48 CO -0.37 0.31 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.60 1j3g h ASP 49 N 0.46 0.46 -0.73 1.72 3.58 -1.61 -3.18 116.42 117.12 1j3g h ASP 49 Ca 0.11 -0.32 0.15 0.00 0.42 0.00 0.00 57.03 57.39 1j3g h ASP 49 Cb 0.42 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 1j3g h ASP 49 CO 0.01 0.68 0.49 0.00 -2.88 0.00 0.00 179.24 177.54 1j3g h ALA 50 N 0.80 2.19 0.45 -0.78 0.00 -0.87 -0.94 119.26 120.12 1j3g h ALA 50 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 50 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1j3g h ALA 50 CO 0.02 -0.39 -0.45 1.25 0.00 0.00 0.00 179.25 179.68 1j3g h LEU 51 N 0.35 -1.23 -0.53 0.00 7.12 -1.30 -1.29 115.31 118.42 1j3g h LEU 51 Ca 0.36 0.10 -0.15 0.00 0.13 0.00 0.00 57.88 58.31 1j3g h LEU 51 Cb 0.90 0.40 -0.01 0.00 -0.53 0.00 0.00 40.66 41.43 1j3g h LEU 51 CO -0.10 -0.59 -0.43 -0.26 -0.13 0.00 0.00 178.44 176.92 1j3g h PHE 52 N -0.90 0.86 -0.25 1.25 -1.00 -1.33 -2.78 116.94 112.78 1j3g h PHE 52 Ca -0.06 -0.26 -0.07 0.00 2.81 0.00 0.00 57.97 60.39 1j3g h PHE 52 Cb 0.78 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 1j3g h PHE 52 CO -0.23 1.02 -0.16 0.00 -1.61 0.00 0.00 178.31 177.32 1j3g h THR 53 N 0.57 1.23 0.00 -1.55 1.03 -1.28 -3.47 112.91 109.44 1j3g h THR 53 Ca 0.04 -1.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.40 1j3g h THR 53 Cb 0.98 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 1j3g h THR 53 CO 0.09 0.33 0.00 0.61 -0.01 0.00 0.00 175.52 176.55 1j3g n GLY 54 N -0.61 0.33 0.63 2.99 0.00 -0.51 -4.97 105.19 103.04 1j3g n GLY 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -1.81 0.42 -1.63 2.61 -2.24 -1.13 -4.87 114.28 105.63 1j3g n THR 55 Ca 0.00 -0.44 -0.47 0.00 -2.27 0.00 0.00 64.05 60.87 1j3g n THR 55 Cb 0.00 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.48 0.88 -3.72 2.28 3.06 -1.06 -5.00 119.36 116.29 1j3g n ILE 56 Ca 0.13 -0.22 -0.36 0.00 -2.50 0.00 0.00 62.75 59.79 1j3g n ILE 56 Cb 0.30 -1.19 -0.07 0.00 0.54 0.00 0.00 39.64 39.22 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 0.18 6.36 -1.12 9.51 2.15 -1.26 -4.80 116.67 127.69 1j3g s ASP 57 Ca 0.71 0.42 -0.22 0.00 0.43 0.00 0.00 52.55 53.90 1j3g s ASP 57 Cb -0.74 -2.11 -0.08 0.00 -0.30 0.00 0.00 42.92 39.69 1j3g s ASP 57 CO 0.50 0.25 1.91 -0.81 -0.17 0.00 0.00 175.17 176.86 1j3g n PRO 58 N 2.88 1.86 -0.04 4.34 -0.04 -1.26 -4.58 135.00 138.14 1j3g n PRO 58 Ca -0.16 -2.46 -0.05 0.00 -0.04 0.00 0.00 63.50 60.79 1j3g n PRO 58 Cb 0.53 -3.51 -0.02 0.00 -0.04 0.00 0.00 33.50 30.46 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 11.77 1.22 -0.17 3.54 2.85 -1.26 -4.58 115.26 128.62 1j3g n ASN 59 Ca 0.47 0.20 -0.03 0.00 -0.11 0.00 0.00 54.58 55.11 1j3g n ASN 59 Cb 0.45 -0.59 0.07 0.00 1.24 0.00 0.00 39.78 40.95 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 -1.11 0.67 -2.34 5.20 0.00 -2.05 -3.46 119.26 116.17 1j3g h ALA 60 Ca 0.00 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.18 1j3g h ALA 60 Cb 0.56 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1j3g h ALA 60 CO 0.00 -0.15 0.68 -3.38 0.00 0.00 0.00 179.25 176.40 1j3g s HIS 61 N -6.12 0.04 0.05 0.00 -3.43 -1.26 -5.08 115.29 99.48 1j3g s HIS 61 Ca -0.13 -0.34 -0.18 0.00 -0.80 0.00 0.00 55.06 53.62 1j3g s HIS 61 Cb 0.15 0.65 -0.17 0.00 -1.43 0.00 0.00 32.58 31.77 1j3g s HIS 61 CO 0.74 -0.69 1.25 -1.00 -2.00 0.00 0.00 174.74 173.03 1j3g h PRO 62 N 2.00 0.54 -0.76 -0.38 0.13 -1.90 -3.36 132.00 128.26 1j3g h PRO 62 Ca -0.26 -0.42 0.17 0.00 -0.87 0.00 0.00 66.00 64.62 1j3g h PRO 62 Cb 1.21 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 1j3g h PRO 62 CO 0.34 1.04 0.01 -0.92 -0.23 0.00 0.00 178.00 178.24 1j3g h TYR 63 N 0.15 -0.04 0.41 1.56 5.03 -1.98 0.16 116.97 122.26 1j3g h TYR 63 Ca -0.03 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1j3g h TYR 63 Cb 1.12 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.51 1j3g h TYR 63 CO 0.11 -0.24 -0.43 0.35 -1.32 0.00 0.00 178.16 176.63 1j3g h PHE 64 N 0.10 -1.17 -0.45 -3.82 3.04 -1.96 -1.37 116.94 111.30 1j3g h PHE 64 Ca 0.42 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.32 1j3g h PHE 64 Cb 0.73 0.46 -0.02 0.00 2.56 0.00 0.00 35.95 39.68 1j3g h PHE 64 CO -0.42 -0.58 0.08 0.00 -2.02 0.00 0.00 178.31 175.36 1j3g h ALA 65 N -0.53 0.60 -0.01 2.41 0.00 -1.71 -3.23 119.26 116.79 1j3g h ALA 65 Ca -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1j3g h ALA 65 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j3g h ALA 65 CO -0.08 0.32 -0.23 0.78 0.00 0.00 0.00 179.25 180.04 1j3g h GLY 66 N 0.61 -1.30 0.93 0.00 0.00 -0.28 -2.92 103.07 100.11 1j3g h GLY 66 Ca 0.14 0.64 0.05 0.00 0.00 0.00 0.00 47.33 48.15 1j3g h GLY 66 CO 0.01 -0.41 0.59 0.16 0.00 0.00 0.00 176.54 176.89 1j3g h ILE 67 N -0.28 1.11 -0.91 2.60 -0.00 -1.38 -3.11 117.51 115.54 1j3g h ILE 67 Ca 0.01 -0.37 0.26 0.00 -0.00 0.00 0.00 64.86 64.75 1j3g h ILE 67 Cb 0.30 -0.06 -0.14 0.00 -0.00 0.00 0.00 36.82 36.92 1j3g h ILE 67 CO -0.16 0.20 0.32 0.00 -0.00 0.00 0.00 178.15 178.50 1j3g h ALA 68 N 1.49 1.45 -0.53 0.16 0.00 -1.52 0.62 119.26 120.92 1j3g h ALA 68 Ca 0.37 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.57 1j3g h ALA 68 Cb 0.10 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1j3g h ALA 68 CO -0.13 -0.49 0.35 0.45 0.00 0.00 0.00 179.25 179.43 1j3g h HIS 69 N 0.23 0.43 -3.37 0.00 3.86 -1.59 -3.38 115.15 111.33 1j3g h HIS 69 Ca 0.60 0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 59.27 1j3g h HIS 69 Cb 1.26 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.54 1j3g h HIS 69 CO -0.21 0.22 0.09 -0.51 0.86 0.00 0.00 177.93 178.38 1j3g s LEU 70 N -9.36 4.42 0.70 2.43 1.02 0.21 -5.04 118.68 113.06 1j3g s LEU 70 Ca -0.08 1.31 -0.16 0.00 0.02 0.00 0.00 54.13 55.22 1j3g s LEU 70 Cb 0.19 -3.10 0.01 0.00 0.02 0.00 0.00 46.19 43.32 1j3g s LEU 70 CO 0.74 0.03 1.17 -2.11 0.02 0.00 0.00 176.35 176.21 1j3g n ARG 71 N 2.88 0.73 -4.37 1.70 0.00 -1.26 -4.94 116.66 111.39 1j3g n ARG 71 Ca -0.04 0.31 -0.24 0.00 -0.00 0.00 0.00 57.85 57.88 1j3g n ARG 71 Cb 0.51 -2.41 -0.09 0.00 -0.00 0.00 0.00 32.46 30.47 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 -1.67 2.86 -0.30 8.89 -7.23 -1.26 -4.84 120.40 116.85 1j3g s VAL 72 Ca 0.78 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 1j3g s VAL 72 Cb -0.35 -2.64 0.17 0.00 0.56 0.00 0.00 36.38 34.12 1j3g s VAL 72 CO 0.45 -0.33 1.09 -0.44 -0.31 0.00 0.00 175.10 175.56 1j3g s SER 73 N -3.63 -0.39 0.00 4.85 0.01 -1.21 -4.65 113.70 108.68 1j3g s SER 73 Ca 0.32 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1j3g s SER 73 Cb -0.04 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.55 1j3g s SER 73 CO 0.18 -0.08 0.00 0.00 0.41 0.00 0.00 173.24 173.75 1j3g n ALA 74 N 4.41 0.00 0.05 1.44 0.00 -1.26 -2.06 120.51 123.09 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 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N 0.00 -0.57 -3.80 0.00 8.25 -1.20 -4.49 115.22 113.40 1j3g n HIS 75 Ca 0.00 0.10 -0.24 0.00 -0.26 0.00 0.00 57.72 57.32 1j3g n HIS 75 Cb 0.00 0.24 -0.17 0.00 1.12 0.00 0.00 29.99 31.18 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 1.90 4.37 -0.35 0.00 2.96 -0.17 -0.64 118.68 126.74 1j3g s LEU 77 Ca 0.04 -0.64 -0.17 0.00 -0.22 0.00 0.00 54.13 53.14 1j3g s LEU 77 Cb -0.13 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1j3g s LEU 77 CO -0.06 -0.26 0.44 -0.63 -1.32 0.00 0.00 176.35 174.51 1j3g s ILE 78 N 1.62 5.09 0.55 6.68 1.01 -0.25 -0.93 121.20 134.96 1j3g s ILE 78 Ca 0.04 0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1j3g s ILE 78 Cb -0.18 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1j3g s ILE 78 CO 0.07 -0.18 1.21 -0.60 0.00 0.00 0.00 174.94 175.44 1j3g s ARG 79 N 2.20 3.25 0.24 2.79 3.52 0.55 -0.74 118.95 130.76 1j3g s ARG 79 Ca 0.15 1.84 0.13 0.00 -0.13 0.00 0.00 55.73 57.72 1j3g s ARG 79 Cb -0.16 -2.10 0.70 0.00 -1.56 0.00 0.00 34.95 31.83 1j3g s ARG 79 CO 0.13 -0.99 1.33 2.89 -0.81 0.00 0.00 175.30 177.84 1j3g n ARG 80 N -1.20 0.08 -0.48 5.12 -4.01 -1.10 -1.84 116.66 113.23 1j3g n ARG 80 Ca 0.11 0.55 0.04 0.00 -1.04 0.00 0.00 57.85 57.51 1j3g n ARG 80 Cb 0.49 -1.92 0.23 0.00 -3.04 0.00 0.00 32.46 28.21 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 -1.96 3.53 -3.42 2.89 2.03 -1.26 -3.71 116.55 114.65 1j3g n ASP 81 Ca -0.01 -2.47 -0.19 0.00 0.52 0.00 0.00 54.79 52.64 1j3g n ASP 81 Cb 0.16 -0.57 0.08 0.00 -0.72 0.00 0.00 41.12 40.08 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 -0.39 2.98 0.27 0.00 -0.77 -5.02 105.19 102.70 1j3g n GLY 82 Ca 0.16 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.62 1.82 -0.30 1.61 0.41 -1.18 -4.92 118.70 110.53 1j3g s GLU 83 Ca 0.17 -1.09 -0.28 0.00 -0.41 0.00 0.00 54.97 53.37 1j3g s GLU 83 Cb -0.08 -2.67 0.01 0.00 -1.78 0.00 0.00 34.13 29.62 1j3g s GLU 83 CO 0.71 -0.58 1.00 0.42 -0.49 0.00 0.00 175.26 176.32 1j3g s ILE 84 N 1.31 4.61 0.07 -1.63 1.01 -1.26 -0.33 121.20 124.98 1j3g s ILE 84 Ca -0.07 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.32 1j3g s ILE 84 Cb -0.19 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1j3g s ILE 84 CO -0.06 -0.36 -0.07 -0.69 0.00 0.00 0.00 174.94 173.76 1j3g s VAL 85 N 3.39 3.58 -0.11 2.92 1.01 -0.11 -1.11 120.40 129.97 1j3g s VAL 85 Ca 0.42 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1j3g s VAL 85 Cb -0.13 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1j3g s VAL 85 CO 0.12 0.21 -0.14 -1.58 0.00 0.00 0.00 175.10 173.72 1j3g s GLN 86 N -1.95 2.13 -0.19 2.72 0.74 -0.63 -1.00 119.66 121.48 1j3g s GLN 86 Ca 0.21 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 55.11 1j3g s GLN 86 Cb -0.11 -1.86 0.03 0.00 1.10 0.00 0.00 33.01 32.16 1j3g s GLN 86 CO 0.12 -0.11 -0.17 0.71 -0.55 0.00 0.00 175.29 175.30 1j3g s TYR 87 N 1.12 2.75 -0.11 1.67 1.51 -0.35 -1.70 117.35 122.24 1j3g s TYR 87 Ca -0.04 -1.70 -0.01 0.00 -1.01 0.00 0.00 57.07 54.31 1j3g s TYR 87 Cb -0.14 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1j3g s TYR 87 CO -0.03 -0.80 0.02 0.28 -1.11 0.00 0.00 175.55 173.91 1j3g n VAL 88 N 4.62 -6.20 -0.36 0.71 0.31 -1.26 -3.28 118.33 112.87 1j3g n VAL 88 Ca -0.19 0.81 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 1j3g n VAL 88 Cb 0.48 -5.10 0.00 0.00 -0.91 0.00 0.00 33.84 28.32 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 0.35 -0.26 -0.44 5.55 -0.04 -1.26 -4.64 135.00 134.26 1j3g n PRO 89 Ca -0.03 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.39 1j3g n PRO 89 Cb 0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.78 0.00 -3.64 0.54 3.72 -1.26 -4.63 117.46 110.41 1j3g n PHE 90 Ca 0.00 -0.71 -0.05 0.00 -0.05 0.00 0.00 57.45 56.64 1j3g n PHE 90 Cb 0.00 -0.79 -0.06 0.00 -0.94 0.00 0.00 39.48 37.69 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1j3g s ASP 91 N 2.28 -1.01 -0.05 4.37 2.15 -1.26 -5.06 116.67 118.09 1j3g s ASP 91 Ca 0.22 1.54 -0.02 0.00 0.43 0.00 0.00 52.55 54.72 1j3g s ASP 91 Cb 0.11 1.65 0.00 0.00 -0.30 0.00 0.00 42.92 44.38 1j3g s ASP 91 CO 0.00 -0.23 0.07 1.17 -0.17 0.00 0.00 175.17 176.00 1j3g n LYS 92 N 4.64 -0.34 -1.10 4.34 3.00 -1.26 -5.00 118.16 122.44 1j3g n LYS 92 Ca -0.18 0.73 -0.37 0.00 -0.00 0.00 0.00 58.31 58.50 1j3g n LYS 92 Cb 0.56 -1.99 0.02 0.00 0.00 0.00 0.00 35.03 33.63 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 -0.39 0.00 -3.36 1.64 0.63 -1.26 -4.94 116.66 108.97 1j3g n ARG 93 Ca 0.01 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.73 1j3g n ARG 93 Cb 0.05 -0.98 0.01 0.00 0.45 0.00 0.00 32.46 32.00 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 -1.94 0.78 -3.61 5.13 0.00 -1.26 -4.25 120.51 115.35 1j3g n ALA 94 Ca 0.03 -1.87 -0.07 0.00 0.00 0.00 0.00 53.44 51.53 1j3g n ALA 94 Cb 0.50 0.73 -0.09 0.00 0.00 0.00 0.00 19.45 20.60 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 -2.29 -0.88 -0.42 0.00 -0.00 -0.87 -4.63 118.94 109.85 1j3g s TRP 95 Ca 0.31 1.55 0.04 0.00 -0.00 0.00 0.00 56.10 58.00 1j3g s TRP 95 Cb -0.02 0.34 0.29 0.00 -0.00 0.00 0.00 33.47 34.08 1j3g s TRP 95 CO 0.19 -0.54 1.14 -2.39 -0.00 0.00 0.00 176.95 175.36 1j3g n HIS 96 N 5.40 -2.10 0.10 5.86 1.44 -1.26 -3.36 115.22 121.29 1j3g n HIS 96 Ca -0.08 -1.51 0.00 0.00 -2.01 0.00 0.00 57.72 54.12 1j3g n HIS 96 Cb 0.49 1.44 0.00 0.00 0.12 0.00 0.00 29.99 32.04 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 0.89 0.73 0.00 1.59 0.00 -1.26 -4.86 120.51 117.59 1j3g n ALA 97 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1j3g n ALA 97 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.77 2.00 3.02 0.00 0.00 -1.26 -4.96 105.19 103.23 1j3g n GLY 98 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.53 120.40 117.31 1j3g s VAL 99 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1j3g s VAL 99 Cb 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.23 1j3g s VAL 99 CO 0.00 -0.09 0.89 -0.94 0.00 0.00 0.00 175.10 174.96 1j3g s SER 100 N -0.26 -0.31 -0.16 3.32 1.04 -1.24 -4.67 113.70 111.43 1j3g s SER 100 Ca -0.03 -0.15 -0.29 0.00 0.48 0.00 0.00 55.95 55.96 1j3g s SER 100 Cb -0.02 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.63 1j3g s SER 100 CO 0.00 -0.76 0.81 -0.94 0.98 0.00 0.00 173.24 173.34 1j3g s SER 101 N -2.67 -0.59 0.11 7.02 1.04 -1.26 -1.46 113.70 115.88 1j3g s SER 101 Ca 0.07 0.84 -0.25 0.00 0.48 0.00 0.00 55.95 57.10 1j3g s SER 101 Cb -0.01 0.75 0.07 0.00 0.10 0.00 0.00 66.02 66.93 1j3g s SER 101 CO -0.05 -0.40 0.61 -0.47 0.98 0.00 0.00 173.24 173.91 1j3g s TYR 102 N -0.60 -0.55 -1.43 5.02 5.04 -0.23 -4.28 117.35 120.31 1j3g s TYR 102 Ca -0.04 0.51 -0.12 0.00 -2.44 0.00 0.00 57.07 54.97 1j3g s TYR 102 Cb -0.02 0.51 0.02 0.00 0.35 0.00 0.00 41.96 42.81 1j3g s TYR 102 CO 0.04 -0.78 0.22 1.04 -1.34 0.00 0.00 175.55 174.73 1j3g n GLN 103 N -0.05 -0.69 -2.48 4.97 6.02 -1.26 -1.10 117.38 122.80 1j3g n GLN 103 Ca -0.17 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.74 1j3g n GLN 103 Cb 0.63 -3.19 -0.01 0.00 1.02 0.00 0.00 30.24 28.70 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 -2.43 -0.50 2.94 1.08 0.00 -1.26 -4.98 105.19 100.04 1j3g n GLY 104 Ca -0.26 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.08 1.62 0.27 1.61 6.06 -0.25 -5.13 118.95 118.05 1j3g s ARG 105 Ca 0.02 -0.31 -0.29 0.00 -2.50 0.00 0.00 55.73 52.65 1j3g s ARG 105 Cb -0.01 -1.59 -0.09 0.00 0.06 0.00 0.00 34.95 33.32 1j3g s ARG 105 CO 0.02 -0.21 0.98 -2.00 -2.50 0.00 0.00 175.30 171.60 1j3g s GLU 106 N 1.49 4.73 -0.20 5.12 -6.30 -1.26 -1.07 118.70 121.21 1j3g s GLU 106 Ca 0.01 1.54 0.01 0.00 -2.50 0.00 0.00 54.97 54.03 1j3g s GLU 106 Cb -0.13 -3.14 0.03 0.00 0.00 0.00 0.00 34.13 30.89 1j3g s GLU 106 CO -0.06 0.37 -0.17 1.03 0.02 0.00 0.00 175.26 176.45 1j3g s ARG 107 N -1.46 2.88 0.20 4.30 0.52 -0.54 -4.94 118.95 119.90 1j3g s ARG 107 Ca 0.44 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.63 1j3g s ARG 107 Cb -0.26 -2.65 0.13 0.00 0.52 0.00 0.00 34.95 32.69 1j3g s ARG 107 CO 0.32 -0.28 1.85 0.00 0.02 0.00 0.00 175.30 177.22 1j3g s ASN 109 N -5.89 1.17 -1.32 0.00 0.02 -1.26 -4.57 114.94 103.09 1j3g s ASN 109 Ca -0.13 -1.62 -0.15 0.00 -1.02 0.00 0.00 52.86 49.94 1j3g s ASN 109 Cb 0.14 0.52 0.10 0.00 0.02 0.00 0.00 41.25 42.03 1j3g s ASN 109 CO 0.78 -1.03 1.81 -0.67 0.02 0.00 0.00 177.10 178.01 1j3g n ASP 110 N -1.17 4.77 -2.18 -1.22 2.03 -1.26 -4.77 116.55 112.75 1j3g n ASP 110 Ca 0.05 -2.94 -0.28 0.00 0.52 0.00 0.00 54.79 52.15 1j3g n ASP 110 Cb 0.63 -1.66 0.08 0.00 -0.72 0.00 0.00 41.12 39.45 1j3g n ASP 110 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1j3g n PHE 111 N 6.73 2.72 -4.10 -0.67 1.16 -1.26 -4.13 117.46 117.91 1j3g n PHE 111 Ca 0.46 -2.55 -0.15 0.00 -1.87 0.00 0.00 57.45 53.34 1j3g n PHE 111 Cb 0.42 -1.24 -0.12 0.00 -1.61 0.00 0.00 39.48 36.94 1j3g n PHE 111 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3g s SER 112 N -1.19 1.14 -1.12 5.98 0.01 -1.26 -4.02 113.70 113.24 1j3g s SER 112 Ca 0.54 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 57.15 1j3g s SER 112 Cb 0.43 0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.58 1j3g s SER 112 CO 0.01 -0.16 3.01 0.00 0.41 0.00 0.00 173.24 176.51 1j3g n ILE 113 N 1.41 4.11 0.00 1.44 0.00 -1.26 -4.88 119.36 120.18 1j3g n ILE 113 Ca -0.22 -2.66 0.00 0.00 0.00 0.00 0.00 62.75 59.87 1j3g n ILE 113 Cb 0.54 -2.31 0.00 0.00 0.00 0.00 0.00 39.64 37.87 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 2.82 0.92 3.11 4.50 0.00 -1.19 -4.78 105.19 110.57 1j3g n GLY 114 Ca 0.66 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 0.35 0.20 -0.04 -0.61 -1.09 -1.26 -4.39 121.20 114.36 1j3g s ILE 115 Ca 0.00 -1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 56.67 1j3g s ILE 115 Cb 0.00 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.34 1j3g s ILE 115 CO 0.00 -0.89 0.02 -0.70 -1.23 0.00 0.00 174.94 172.14 1j3g s GLU 116 N -3.93 0.18 -0.12 2.79 2.56 0.19 -3.25 118.70 117.13 1j3g s GLU 116 Ca 0.09 0.18 -0.06 0.00 0.00 0.00 0.00 54.97 55.18 1j3g s GLU 116 Cb 0.08 -0.51 -0.04 0.00 2.00 0.00 0.00 34.13 35.66 1j3g s GLU 116 CO -0.09 -0.21 0.11 -0.51 -0.56 0.00 0.00 175.26 174.00 1j3g s LEU 117 N 1.45 4.21 0.15 2.70 1.02 -1.26 -1.09 118.68 125.85 1j3g s LEU 117 Ca -0.04 0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.54 1j3g s LEU 117 Cb -0.13 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 1j3g s LEU 117 CO -0.03 0.39 0.16 -0.70 0.02 0.00 0.00 176.35 176.19 1j3g s GLU 118 N -0.94 3.00 0.04 1.70 -6.30 0.08 -2.84 118.70 113.44 1j3g s GLU 118 Ca 0.14 -0.79 -0.26 0.00 -2.50 0.00 0.00 54.97 51.57 1j3g s GLU 118 Cb -0.12 -2.72 0.09 0.00 0.00 0.00 0.00 34.13 31.38 1j3g s GLU 118 CO 0.03 0.51 1.19 0.41 0.02 0.00 0.00 175.26 177.42 1j3g n GLY 119 N -0.25 0.33 2.64 -1.50 0.00 -0.78 -2.72 105.19 102.91 1j3g n GLY 119 Ca -0.08 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 1j3g n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3g s THR 120 N -2.03 -0.17 -1.26 2.61 -4.23 -1.26 -4.49 115.64 104.80 1j3g s THR 120 Ca 0.28 -0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 1j3g s THR 120 Cb -0.01 -0.74 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1j3g s THR 120 CO 0.01 -0.40 0.43 -0.67 -0.54 0.00 0.00 174.62 173.45 1j3g n ASP 121 N 5.28 -2.26 -3.54 3.99 2.03 -1.26 -1.04 116.55 119.75 1j3g n ASP 121 Ca -0.06 -1.24 -0.26 0.00 0.52 0.00 0.00 54.79 53.76 1j3g n ASP 121 Cb 0.47 -1.50 0.04 0.00 -0.72 0.00 0.00 41.12 39.41 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 -4.73 -2.13 -2.23 5.18 -2.24 -1.26 -4.97 114.28 101.89 1j3g n THR 122 Ca -0.17 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.23 1j3g n THR 122 Cb 0.58 -3.17 -0.01 0.00 -2.10 0.00 0.00 70.33 65.63 1j3g n THR 122 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j3g s LEU 123 N -7.04 4.03 -0.43 3.22 2.96 -0.21 -4.80 118.68 116.41 1j3g s LEU 123 Ca 0.52 2.35 -0.39 0.00 -0.22 0.00 0.00 54.13 56.39 1j3g s LEU 123 Cb -0.25 -4.21 -0.17 0.00 0.50 0.00 0.00 46.19 42.07 1j3g s LEU 123 CO 0.65 -0.92 1.68 0.00 -1.32 0.00 0.00 176.35 176.43 1j3g n ALA 124 N -0.43 -0.29 1.27 5.97 0.00 -1.26 -4.79 120.51 120.97 1j3g n ALA 124 Ca 0.07 0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.91 1j3g n ALA 124 Cb 0.48 -1.75 0.69 0.00 0.00 0.00 0.00 19.45 18.87 1j3g n ALA 124 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j3g n TYR 125 N 5.40 0.00 -2.44 0.00 4.01 -1.26 -4.78 117.16 118.09 1j3g n TYR 125 Ca 0.40 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 58.10 1j3g n TYR 125 Cb -0.04 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.66 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 -1.33 -7.78 -0.18 -0.72 -2.24 -1.24 -4.47 114.28 96.31 1j3g n THR 126 Ca 0.12 0.37 0.14 0.00 -2.27 0.00 0.00 64.05 62.41 1j3g n THR 126 Cb 0.25 -6.08 0.22 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 -0.71 0.02 -0.31 3.42 9.92 -1.26 -0.14 116.55 127.49 1j3g n ASP 127 Ca 0.06 0.31 0.14 0.00 -0.53 0.00 0.00 54.79 54.77 1j3g n ASP 127 Cb 0.36 -0.16 0.31 0.00 -0.64 0.00 0.00 41.12 41.00 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 0.33 1.30 -0.63 2.24 0.00 -1.97 0.48 119.26 121.01 1j3g h ALA 128 Ca 0.26 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.55 1j3g h ALA 128 Cb 0.97 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1j3g h ALA 128 CO -0.05 -0.53 -0.05 1.96 0.00 0.00 0.00 179.25 180.58 1j3g h GLN 129 N 0.14 0.07 -0.92 0.00 4.20 -0.76 -0.58 115.11 117.26 1j3g h GLN 129 Ca 0.58 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.28 1j3g h GLN 129 Cb 1.21 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 1j3g h GLN 129 CO -0.73 0.05 0.57 1.88 -0.67 0.00 0.00 178.83 179.93 1j3g h TYR 130 N 0.07 1.20 0.01 2.96 -1.99 -1.09 0.28 116.97 118.41 1j3g h TYR 130 Ca 0.32 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 1j3g h TYR 130 Cb 0.52 -0.40 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1j3g h TYR 130 CO -0.42 0.78 -0.00 1.96 -0.00 0.00 0.00 178.16 180.48 1j3g h GLN 131 N 1.26 -0.01 0.24 4.88 4.20 -1.00 -0.22 115.11 124.45 1j3g h GLN 131 Ca 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1j3g h GLN 131 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1j3g h GLN 131 CO -0.06 0.29 -0.12 1.96 -0.67 0.00 0.00 178.83 180.23 1j3g h GLN 132 N -0.31 -0.31 -0.43 1.46 4.20 -0.99 -1.26 115.11 117.46 1j3g h GLN 132 Ca -0.00 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.80 1j3g h GLN 132 Cb 0.30 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1j3g h GLN 132 CO 0.00 -0.13 0.07 1.25 -0.67 0.00 0.00 178.83 179.35 1j3g h LEU 133 N -0.43 -0.03 -0.74 1.46 5.85 -0.49 -0.41 115.31 120.51 1j3g h LEU 133 Ca -0.03 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1j3g h LEU 133 Cb 0.33 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1j3g h LEU 133 CO 0.05 0.02 0.41 0.00 -0.34 0.00 0.00 178.44 178.58 1j3g h ALA 134 N 1.34 0.95 0.20 1.25 0.00 -0.87 0.21 119.26 122.33 1j3g h ALA 134 Ca 0.21 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1j3g h ALA 134 Cb 0.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j3g h ALA 134 CO -0.29 0.46 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 1j3g h ALA 135 N 1.21 -0.45 -0.69 0.00 0.00 -0.45 -2.05 119.26 116.83 1j3g h ALA 135 Ca 0.26 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1j3g h ALA 135 Cb 0.03 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1j3g h ALA 135 CO -0.04 -0.79 0.44 0.28 0.00 0.00 0.00 179.25 179.14 1j3g h VAL 136 N -0.48 1.14 0.24 0.00 2.07 -0.78 -1.11 116.25 117.33 1j3g h VAL 136 Ca 0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1j3g h VAL 136 Cb 0.46 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1j3g h VAL 136 CO -0.08 0.16 -0.22 0.74 0.02 0.00 0.00 177.57 178.20 1j3g h THR 137 N 0.89 0.53 -0.24 2.57 2.02 -0.37 0.22 112.91 118.52 1j3g h THR 137 Ca 0.26 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 1j3g h THR 137 Cb -0.06 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1j3g h THR 137 CO -0.07 0.00 -0.16 0.78 0.37 0.00 0.00 175.52 176.44 1j3g h ASN 138 N -0.48 0.40 0.87 4.18 4.21 -1.22 -0.41 115.58 123.13 1j3g h ASN 138 Ca -0.01 -0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.36 1j3g h ASN 138 Cb 0.44 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 1j3g h ASN 138 CO -0.04 0.59 -0.46 0.00 -1.29 0.00 0.00 177.43 176.23 1j3g h ALA 139 N 1.46 -1.23 -0.59 -0.83 0.00 -0.69 -1.46 119.26 115.90 1j3g h ALA 139 Ca 0.07 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1j3g h ALA 139 Cb 0.50 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1j3g h ALA 139 CO 0.03 -1.20 0.39 -0.07 0.00 0.00 0.00 179.25 178.41 1j3g h LEU 140 N -1.22 0.39 -1.00 0.00 -0.00 -0.82 -1.13 115.31 111.54 1j3g h LEU 140 Ca -0.12 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1j3g h LEU 140 Cb 0.95 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.49 1j3g h LEU 140 CO 0.17 0.24 0.58 0.40 -0.00 0.00 0.00 178.44 179.82 1j3g h ILE 141 N 0.44 1.25 0.00 1.22 2.04 -0.74 0.15 117.51 121.87 1j3g h ILE 141 Ca 0.27 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1j3g h ILE 141 Cb 0.48 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1j3g h ILE 141 CO -0.08 0.26 -0.00 0.74 0.00 0.00 0.00 178.15 179.07 1j3g h THR 142 N 1.29 0.47 0.00 -0.27 2.02 -0.13 -2.92 112.91 113.37 1j3g h THR 142 Ca 0.34 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1j3g h THR 142 Cb -0.08 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1j3g h THR 142 CO -0.07 0.00 -0.11 0.03 0.37 0.00 0.00 175.52 175.75 1j3g h ARG 143 N 0.00 0.00 -4.31 6.66 2.47 -0.86 -3.47 114.38 114.87 1j3g h ARG 143 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 1j3g h ARG 143 Cb 0.01 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 27.96 1j3g h ARG 143 CO 0.00 0.00 -0.79 0.71 0.56 0.00 0.00 179.97 180.45 1j3g s TYR 144 N -1.43 2.08 -0.49 3.04 2.02 0.35 -5.10 117.35 117.81 1j3g s TYR 144 Ca -0.03 -1.41 -0.21 0.00 -0.37 0.00 0.00 57.07 55.04 1j3g s TYR 144 Cb 0.00 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 40.13 1j3g s TYR 144 CO 0.05 -0.70 0.74 -1.25 -1.57 0.00 0.00 175.55 172.82 1j3g s PRO 145 N 1.51 3.26 0.00 -1.71 0.04 -1.12 -4.24 135.00 132.74 1j3g s PRO 145 Ca -0.02 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1j3g s PRO 145 Cb -0.17 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1j3g s PRO 145 CO -0.07 -1.23 0.00 0.00 0.04 0.00 0.00 177.00 175.74 1j3g n ALA 146 N 6.63 1.05 -0.32 8.56 0.00 -1.26 -4.91 120.51 130.26 1j3g n ALA 146 Ca -0.02 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 0.47 0.00 0.00 2.04 -1.76 0.75 117.51 119.01 1j3g h ILE 147 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1j3g h ILE 147 Cb 0.00 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1j3g h ILE 147 CO 0.00 0.04 0.07 0.00 0.00 0.00 0.00 178.15 178.26 1j3g n ALA 148 N -2.58 0.95 -1.70 1.87 0.00 -1.26 -1.28 120.51 116.50 1j3g n ALA 148 Ca 0.25 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.89 1j3g n ALA 148 Cb 1.02 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 19.28 1j3g n ALA 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j3g n ASN 149 N -2.23 0.31 -3.37 0.00 3.02 0.20 -4.56 115.26 108.64 1j3g n ASN 149 Ca -0.01 -1.98 -0.25 0.00 -0.03 0.00 0.00 54.58 52.30 1j3g n ASN 149 Cb 0.10 -0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 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 -1.07 1.62 -0.18 6.41 -0.87 -0.41 -4.90 114.94 115.55 1j3g s ASN 150 Ca 0.04 -2.61 0.00 0.00 -1.57 0.00 0.00 52.86 48.72 1j3g s ASN 150 Cb 0.03 -0.18 0.04 0.00 -0.02 0.00 0.00 41.25 41.12 1j3g s ASN 150 CO 0.00 -0.21 -0.07 -0.04 -2.57 0.00 0.00 177.10 174.21 1j3g s MET 151 N 0.51 1.66 0.00 -0.60 -1.94 -1.26 -1.87 119.30 115.80 1j3g s MET 151 Ca 0.27 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1j3g s MET 151 Cb -0.05 -2.18 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1j3g s MET 151 CO -0.12 -0.44 0.00 -2.37 -0.01 0.00 0.00 175.02 172.09 1j3g n THR 152 N 4.80 0.00 0.00 2.05 5.66 -0.59 -5.00 114.28 121.20 1j3g n THR 152 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1j3g n THR 152 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 3.72 0.01 1.09 0.00 -1.26 -1.44 105.19 107.31 1j3g n GLY 153 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.02 1.61 -0.00 -0.52 -4.54 115.22 111.75 1j3g n HIS 154 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 1j3g n HIS 154 Cb 0.00 -0.24 -0.10 0.00 -0.00 0.00 0.00 29.99 29.65 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 -2.04 4.39 0.28 0.00 5.15 -0.44 -4.09 115.26 118.50 1j3g n ASN 156 Ca -0.06 -2.48 0.16 0.00 -0.60 0.00 0.00 54.58 51.60 1j3g n ASN 156 Cb 0.44 -0.82 0.79 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.57 0.31 0.00 -1.44 -2.65 -1.79 -3.38 117.51 109.12 1j3g h ILE 157 Ca 0.12 -0.48 0.00 0.00 1.03 0.00 0.00 64.86 65.53 1j3g h ILE 157 Cb 1.18 1.36 0.00 0.00 -2.05 0.00 0.00 36.82 37.31 1j3g h ILE 157 CO 0.26 0.07 0.00 0.00 0.03 0.00 0.00 178.15 178.51 1j3g n ALA 158 N -2.19 1.62 -2.60 0.16 0.00 -1.26 -4.38 120.51 111.87 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 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 3.77 0.58 0.00 0.04 -1.26 -4.91 135.00 131.22 1j3g s PRO 159 Ca 0.00 0.58 0.27 0.00 0.04 0.00 0.00 61.00 61.89 1j3g s PRO 159 Cb 0.00 -3.86 1.70 0.00 0.04 0.00 0.00 34.50 32.38 1j3g s PRO 159 CO 0.00 -1.18 2.21 1.49 0.04 0.00 0.00 177.00 179.56 1j3g h GLU 160 N 8.85 0.00 0.00 4.56 4.81 -1.90 -2.24 114.58 128.67 1j3g h GLU 160 Ca -0.23 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1j3g h GLU 160 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1j3g h GLU 160 CO 1.06 0.00 -0.03 -0.09 -0.73 0.00 0.00 179.01 179.23 1j3g h ARG 161 N 0.00 0.00 -3.60 1.92 9.65 -1.96 -3.40 114.38 116.99 1j3g h ARG 161 Ca 0.02 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.52 1j3g h ARG 161 Cb 0.09 0.00 -0.36 0.00 -1.39 0.00 0.00 29.97 28.31 1j3g h ARG 161 CO -0.00 0.03 -0.75 0.15 2.80 0.00 0.00 179.97 182.20 1j3g s LYS 162 N -4.16 0.28 -0.01 0.20 1.02 -0.84 -4.93 119.74 111.30 1j3g s LYS 162 Ca -0.04 0.17 0.07 0.00 0.02 0.00 0.00 55.97 56.19 1j3g s LYS 162 Cb 0.13 -0.61 -0.09 0.00 -0.52 0.00 0.00 37.83 36.73 1j3g s LYS 162 CO 0.49 -0.23 0.21 2.41 -0.92 0.00 0.00 175.35 177.31 1j3g n THR 163 N 4.70 0.00 -3.92 2.17 -1.04 -1.26 -1.33 114.28 113.60 1j3g n THR 163 Ca -0.15 -0.24 0.02 0.00 -2.04 0.00 0.00 64.05 61.64 1j3g n THR 163 Cb 0.50 0.62 0.01 0.00 -1.82 0.00 0.00 70.33 69.65 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 -2.29 -0.00 -0.00 8.00 2.15 -1.26 -0.76 116.67 122.50 1j3g s ASP 164 Ca -0.00 -0.23 -0.06 0.00 0.43 0.00 0.00 52.55 52.69 1j3g s ASP 164 Cb 0.05 0.17 -0.26 0.00 -0.30 0.00 0.00 42.92 42.59 1j3g s ASP 164 CO 0.28 -0.35 3.47 -0.81 -0.17 0.00 0.00 175.17 177.59 1j3g n PRO 165 N -0.83 1.90 0.00 4.34 -0.04 -1.26 -3.85 135.00 135.26 1j3g n PRO 165 Ca 0.01 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1j3g n PRO 165 Cb 0.59 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 2.53 -1.77 0.00 0.55 0.00 -1.26 -5.12 105.19 100.12 1j3g n GLY 166 Ca 0.41 0.65 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 -3.70 1.61 -0.04 -1.25 -4.13 135.00 127.48 1j3g n PRO 167 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1j3g n PRO 167 Cb 0.00 -0.13 0.03 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.05 -1.39 -1.33 3.54 2.88 -1.26 -4.76 113.62 111.24 1j3g n SER 168 Ca 0.00 -0.84 0.08 0.00 -1.33 0.00 0.00 58.87 56.78 1j3g n SER 168 Cb 0.00 -4.00 0.32 0.00 -0.75 0.00 0.00 64.21 59.77 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 -4.25 1.36 -3.87 0.66 7.35 -1.26 -4.99 117.46 112.46 1j3g n PHE 169 Ca -0.29 -0.73 -0.36 0.00 -0.76 0.00 0.00 57.45 55.30 1j3g n PHE 169 Cb 0.67 -0.33 0.02 0.00 0.35 0.00 0.00 39.48 40.20 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 0.31 -4.77 -0.20 -2.13 -0.08 -1.26 -4.61 116.55 103.81 1j3g n ASP 170 Ca 0.23 -1.11 0.21 0.00 -1.51 0.00 0.00 54.79 52.62 1j3g n ASP 170 Cb 0.94 -2.27 0.57 0.00 2.34 0.00 0.00 41.12 42.70 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1j3g h TRP 171 N -1.82 0.38 0.97 -0.67 -0.00 -1.97 -0.64 115.95 112.19 1j3g h TRP 171 Ca -0.66 0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 58.20 1j3g h TRP 171 Cb 1.38 -0.12 0.01 0.00 -0.00 0.00 0.00 29.16 30.43 1j3g h TRP 171 CO 0.32 0.10 -0.47 0.00 -0.00 0.00 0.00 178.44 178.40 1j3g h ALA 172 N 1.61 -1.35 -0.76 1.49 0.00 -1.99 -0.56 119.26 117.71 1j3g h ALA 172 Ca 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j3g h ALA 172 Cb 1.25 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 1j3g h ALA 172 CO -0.12 -1.26 0.48 0.00 0.00 0.00 0.00 179.25 178.35 1j3g h ARG 173 N -1.31 1.01 0.78 0.00 3.08 -1.59 -0.96 114.38 115.38 1j3g h ARG 173 Ca -0.13 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1j3g h ARG 173 Cb 1.00 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.84 1j3g h ARG 173 CO 0.22 0.69 -0.37 0.35 -1.07 0.00 0.00 179.97 179.79 1j3g h PHE 174 N 1.03 -0.97 -0.23 3.04 3.57 -1.14 -1.46 116.94 120.79 1j3g h PHE 174 Ca 0.27 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1j3g h PHE 174 Cb -0.08 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1j3g h PHE 174 CO -0.01 -0.60 0.09 -0.09 -2.23 0.00 0.00 178.31 175.46 1j3g h ARG 175 N -1.08 0.31 -0.23 1.11 1.12 -1.08 -0.68 114.38 113.85 1j3g h ARG 175 Ca -0.11 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.65 1j3g h ARG 175 Cb 0.80 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 1j3g h ARG 175 CO 0.18 0.26 -0.21 0.00 -3.11 0.00 0.00 179.97 177.09 1j3g h ALA 176 N 1.79 1.22 0.34 2.80 0.00 -1.11 -3.23 119.26 121.07 1j3g h ALA 176 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1j3g h ALA 176 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1j3g h ALA 176 CO -0.01 0.50 -0.16 -0.07 0.00 0.00 0.00 179.25 179.51 1j3g h LEU 177 N 0.37 -0.39-10.23 0.00 3.38 -0.05 -3.47 115.31 104.92 1j3g h LEU 177 Ca 0.06 -0.14 -0.48 0.00 0.09 0.00 0.00 57.88 57.41 1j3g h LEU 177 Cb 0.58 0.10 0.19 0.00 0.09 0.00 0.00 40.66 41.62 1j3g h LEU 177 CO 0.04 0.07 0.15 -0.69 0.09 0.00 0.00 178.44 178.09 1j3g s VAL 178 N -3.73 2.20 -0.05 1.22 1.01 -0.52 -4.91 120.40 115.61 1j3g s VAL 178 Ca -0.11 0.06 -0.34 0.00 0.00 0.00 0.00 61.98 61.59 1j3g s VAL 178 Cb 0.01 -2.20 -0.12 0.00 0.00 0.00 0.00 36.38 34.08 1j3g s VAL 178 CO 0.39 -0.08 1.86 0.41 0.00 0.00 0.00 175.10 177.68 1j3g n THR 179 N -4.43 0.55 -0.76 3.92 -1.04 -1.26 -4.86 114.28 106.39 1j3g n THR 179 Ca 0.07 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.91 1j3g n THR 179 Cb 0.53 -1.89 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 6.43 1.49 -3.97 -2.82 -0.04 -1.26 -4.68 135.00 130.15 1j3g n PRO 180 Ca 0.22 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.69 1j3g n PRO 180 Cb 0.31 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1j3g n PRO 180 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3g n SER 181 N 1.51 -1.56 0.00 3.54 2.88 -1.26 -4.73 113.62 114.00 1j3g n SER 181 Ca 0.19 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.65 1j3g n SER 181 Cb 0.62 -2.72 0.00 0.00 -0.75 0.00 0.00 64.21 61.36 1j3g n SER 181 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3g n SER 182 N -2.81 0.00 -1.28 -3.46 2.88 -1.26 -4.93 113.62 102.76 1j3g n SER 182 Ca -0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1j3g n SER 182 Cb 0.65 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 -2.05 0.00 -1.07 0.66 -0.00 -1.26 -4.89 115.22 106.62 1j3g n HIS 183 Ca 0.00 -0.49 -0.31 0.00 -0.00 0.00 0.00 57.72 56.93 1j3g n HIS 183 Cb 0.00 -0.30 0.13 0.00 -0.00 0.00 0.00 29.99 29.82 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 0.45 1.52 0.39 1.57 2.20 -1.26 -4.89 119.74 119.72 1j3g s LYS 184 Ca 0.00 1.15 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 1j3g s LYS 184 Cb 0.00 -1.81 0.10 0.00 -1.51 0.00 0.00 37.83 34.61 1j3g s LYS 184 CO 0.00 -2.16 0.29 -0.85 -0.36 0.00 0.00 175.35 172.27 1j3g n GLU 185 N -3.87 -2.15 0.00 4.03 0.28 -1.26 -5.03 120.64 112.63 1j3g n GLU 185 Ca 0.09 -0.48 0.02 0.00 -0.16 0.00 0.00 57.16 56.64 1j3g n GLU 185 Cb 0.53 -0.51 -0.00 0.00 1.43 0.00 0.00 31.44 32.89 1j3g n GLU 185 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1j3g n MET 186 N -2.75 2.33 0.00 3.44 0.00 -1.26 -5.21 117.12 113.67 1j3g n MET 186 Ca 0.04 -0.45 0.00 0.00 -0.00 0.00 0.00 57.70 57.30 1j3g n MET 186 Cb 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 33.22 32.46 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38