#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3g s LEU 2 N 0.00 1.09 -0.21 -0.89 2.96 -1.26 -5.08 118.68 115.29 1j3g s LEU 2 Ca 0.00 -1.36 -0.05 0.00 -0.22 0.00 0.00 54.13 52.50 1j3g s LEU 2 Cb 0.00 0.57 -0.02 0.00 0.50 0.00 0.00 46.19 47.24 1j3g s LEU 2 CO 0.00 -0.90 0.00 -0.76 -1.32 0.00 0.00 176.35 173.38 1j3g s LEU 3 N -3.16 3.22 -0.18 -0.68 1.43 -1.26 -1.89 118.68 116.16 1j3g s LEU 3 Ca 0.37 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1j3g s LEU 3 Cb 0.06 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1j3g s LEU 3 CO 0.13 0.04 -0.10 -0.62 0.23 0.00 0.00 176.35 176.02 1j3g s ASP 4 N 1.15 3.96 -1.32 2.29 2.15 -0.22 -4.55 116.67 120.12 1j3g s ASP 4 Ca 0.03 -0.43 -0.12 0.00 0.43 0.00 0.00 52.55 52.46 1j3g s ASP 4 Cb -0.14 -1.64 0.10 0.00 -0.30 0.00 0.00 42.92 40.93 1j3g s ASP 4 CO 0.01 0.04 0.52 -0.62 -0.17 0.00 0.00 175.17 174.96 1j3g n GLU 5 N 4.36 -3.03 -0.81 4.34 -0.58 -1.26 -0.36 120.64 123.31 1j3g n GLU 5 Ca -0.19 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1j3g n GLU 5 Cb 0.51 -5.06 0.00 0.00 -0.57 0.00 0.00 31.44 26.32 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 -1.15 0.47 3.98 0.62 0.00 -1.26 -5.00 105.19 102.86 1j3g n GLY 6 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.35 2.98 -0.14 1.61 0.52 0.51 -4.67 118.94 117.40 1j3g s TRP 7 Ca 0.00 -0.14 -0.29 0.00 0.02 0.00 0.00 56.10 55.69 1j3g s TRP 7 Cb 0.00 -2.36 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 1j3g s TRP 7 CO 0.00 -0.42 1.01 -1.17 0.02 0.00 0.00 176.95 176.39 1j3g s LEU 8 N -4.45 4.21 0.26 2.99 0.20 -1.26 -1.06 118.68 119.58 1j3g s LEU 8 Ca 0.52 1.48 -0.30 0.00 0.69 0.00 0.00 54.13 56.52 1j3g s LEU 8 Cb -0.10 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.03 1j3g s LEU 8 CO 0.35 -0.50 1.06 0.00 -0.29 0.00 0.00 176.35 176.97 1j3g s ALA 9 N 2.30 3.39 -0.88 5.97 0.00 -0.79 -4.08 121.76 127.67 1j3g s ALA 9 Ca 0.47 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 1j3g s ALA 9 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1j3g s ALA 9 CO 0.15 -0.07 0.77 0.39 0.00 0.00 0.00 175.76 177.00 1j3g n GLU 10 N 1.33 -1.60 -3.91 0.00 -0.58 -1.26 -4.68 120.64 109.94 1j3g n GLU 10 Ca -0.01 1.14 -0.10 0.00 -0.42 0.00 0.00 57.16 57.76 1j3g n GLU 10 Cb 0.45 -5.32 -0.11 0.00 -0.57 0.00 0.00 31.44 25.90 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 -3.16 -0.12 -0.05 0.62 0.00 -1.26 -4.84 121.76 112.94 1j3g s ALA 11 Ca 0.19 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 1j3g s ALA 11 Cb -0.04 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1j3g s ALA 11 CO 0.77 -0.16 1.37 0.50 0.00 0.00 0.00 175.76 178.24 1j3g s ARG 12 N -1.20 4.27 -0.19 0.00 3.52 -0.03 -4.85 118.95 120.47 1j3g s ARG 12 Ca -0.13 1.87 -0.17 0.00 -0.13 0.00 0.00 55.73 57.18 1j3g s ARG 12 Cb -0.08 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1j3g s ARG 12 CO 0.00 -0.62 0.43 -0.98 -0.81 0.00 0.00 175.30 173.33 1j3g s ARG 13 N 2.82 4.20 -0.49 5.12 1.70 -1.26 -0.72 118.95 130.32 1j3g s ARG 13 Ca 0.62 0.28 0.06 0.00 -0.47 0.00 0.00 55.73 56.22 1j3g s ARG 13 Cb -0.28 -3.52 0.23 0.00 -0.57 0.00 0.00 34.95 30.80 1j3g s ARG 13 CO 0.23 -0.02 0.54 0.28 -1.08 0.00 0.00 175.30 175.25 1j3g n VAL 14 N 4.26 0.25 -2.16 4.99 0.31 -0.02 -4.97 118.33 121.00 1j3g n VAL 14 Ca -0.07 -4.31 -0.42 0.00 -0.01 0.00 0.00 64.34 59.52 1j3g n VAL 14 Cb 0.51 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 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 -1.32 4.24 -0.15 5.55 0.04 -1.26 -3.90 135.00 138.20 1j3g s PRO 15 Ca 0.35 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.39 1j3g s PRO 15 Cb 0.12 -3.70 0.05 0.00 0.04 0.00 0.00 34.50 31.01 1j3g s PRO 15 CO -0.11 -0.68 0.04 0.45 0.04 0.00 0.00 177.00 176.74 1j3g s SER 16 N 2.32 2.35 -1.42 6.66 0.15 -1.26 -5.01 113.70 117.49 1j3g s SER 16 Ca 0.66 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.71 1j3g s SER 16 Cb -0.32 -0.47 0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1j3g s SER 16 CO 0.27 -0.28 2.50 -0.81 1.20 0.00 0.00 173.24 176.12 1j3g n PRO 17 N 5.13 4.10 -2.34 5.44 -0.04 -1.26 -4.33 135.00 141.70 1j3g n PRO 17 Ca -0.08 -3.02 -0.21 0.00 -0.04 0.00 0.00 63.50 60.15 1j3g n PRO 17 Cb 0.48 -2.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.20 1j3g n PRO 17 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j3g n HIS 18 N 2.82 2.69 -2.04 0.54 -0.00 -1.26 -5.08 115.22 112.89 1j3g n HIS 18 Ca 0.64 -2.60 -0.29 0.00 0.46 0.00 0.00 57.72 55.93 1j3g n HIS 18 Cb 0.26 -0.23 0.18 0.00 -0.12 0.00 0.00 29.99 30.08 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 -3.55 1.52 0.55 1.57 2.02 -1.26 -4.64 117.35 113.55 1j3g s TYR 19 Ca 0.45 0.20 0.07 0.00 -0.37 0.00 0.00 57.07 57.42 1j3g s TYR 19 Cb 0.40 -3.96 0.07 0.00 -0.40 0.00 0.00 41.96 38.08 1j3g s TYR 19 CO -0.05 -2.54 0.62 -0.25 -1.57 0.00 0.00 175.55 171.76 1j3g n ASP 20 N -3.63 2.29 -3.59 2.29 9.92 -1.26 -5.03 116.55 117.54 1j3g n ASP 20 Ca 0.16 -2.61 -0.03 0.00 -0.53 0.00 0.00 54.79 51.78 1j3g n ASP 20 Cb 0.60 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.76 1j3g n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j3g s ARG 22 N 2.81 0.79 -1.05 0.00 1.81 -1.26 -5.08 118.95 116.98 1j3g s ARG 22 Ca -0.01 -0.31 -0.23 0.00 -1.72 0.00 0.00 55.73 53.46 1j3g s ARG 22 Cb -0.12 -0.76 -0.00 0.00 -0.45 0.00 0.00 34.95 33.61 1j3g s ARG 22 CO -0.17 0.16 1.75 -1.25 -0.68 0.00 0.00 175.30 175.10 1j3g s PRO 23 N -0.06 3.10 -0.04 3.54 0.04 -1.26 -4.81 135.00 135.52 1j3g s PRO 23 Ca 0.01 -0.96 -0.30 0.00 0.04 0.00 0.00 61.00 59.79 1j3g s PRO 23 Cb -0.05 -5.26 0.07 0.00 0.04 0.00 0.00 34.50 29.30 1j3g s PRO 23 CO -0.00 -2.92 0.68 -0.51 0.04 0.00 0.00 177.00 174.29 1j3g s ASP 24 N 6.20 -0.64 -0.27 6.66 1.01 -1.26 -5.13 116.67 123.24 1j3g s ASP 24 Ca 0.59 0.65 -0.00 0.00 0.71 0.00 0.00 52.55 54.50 1j3g s ASP 24 Cb -0.02 0.54 0.15 0.00 1.01 0.00 0.00 42.92 44.60 1j3g s ASP 24 CO -0.00 -0.63 0.39 -1.81 0.21 0.00 0.00 175.17 173.32 1j3g s ASP 25 N -1.32 0.42 0.24 0.27 1.01 -1.26 -5.17 116.67 110.85 1j3g s ASP 25 Ca -0.10 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.01 1j3g s ASP 25 Cb -0.00 1.07 -0.05 0.00 1.01 0.00 0.00 42.92 44.96 1j3g s ASP 25 CO 0.08 -0.33 0.12 -0.70 0.21 0.00 0.00 175.17 174.54 1j3g s GLU 26 N 2.53 1.33 -0.10 8.23 -6.30 -1.26 -5.13 118.70 118.00 1j3g s GLU 26 Ca 0.11 -1.71 -0.30 0.00 -2.50 0.00 0.00 54.97 50.57 1j3g s GLU 26 Cb -0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 34.13 33.96 1j3g s GLU 26 CO -0.25 -0.35 1.22 1.21 0.02 0.00 0.00 175.26 177.11 1j3g s ASN 27 N -3.25 7.01 -0.62 -1.70 2.47 -1.26 -4.98 114.94 112.61 1j3g s ASN 27 Ca 0.38 1.76 -0.26 0.00 0.42 0.00 0.00 52.86 55.17 1j3g s ASN 27 Cb 0.07 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 37.36 1j3g s ASN 27 CO 0.13 -0.65 1.10 -2.16 -3.72 0.00 0.00 177.10 171.80 1j3g s PRO 28 N 2.71 3.31 -0.39 0.43 0.04 -1.26 -4.80 135.00 135.04 1j3g s PRO 28 Ca 0.55 -0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.38 1j3g s PRO 28 Cb -0.23 -4.10 0.22 0.00 0.04 0.00 0.00 34.50 30.43 1j3g s PRO 28 CO 0.19 -1.76 1.02 0.45 0.04 0.00 0.00 177.00 176.94 1j3g n SER 29 N 8.26 -2.03 -3.70 6.66 2.88 -1.26 -4.39 113.62 120.04 1j3g n SER 29 Ca 0.03 -1.78 -0.14 0.00 -1.33 0.00 0.00 58.87 55.65 1j3g n SER 29 Cb 0.48 1.07 -0.14 0.00 -0.75 0.00 0.00 64.21 64.87 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 0.59 0.10 -0.14 2.46 2.96 -1.26 -3.75 118.68 119.65 1j3g s LEU 30 Ca 0.26 0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 54.46 1j3g s LEU 30 Cb 0.12 0.60 -0.03 0.00 0.50 0.00 0.00 46.19 47.38 1j3g s LEU 30 CO -0.10 -0.20 0.60 -0.22 -1.32 0.00 0.00 176.35 175.11 1j3g s LEU 31 N 1.84 4.23 -0.32 -0.68 2.96 -0.79 -3.26 118.68 122.67 1j3g s LEU 31 Ca -0.03 0.93 -0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1j3g s LEU 31 Cb -0.11 -2.89 0.01 0.00 0.50 0.00 0.00 46.19 43.70 1j3g s LEU 31 CO -0.08 -0.15 0.14 -0.69 -1.32 0.00 0.00 176.35 174.25 1j3g s VAL 32 N 1.21 4.32 -0.29 1.68 1.01 -1.22 -2.02 120.40 125.08 1j3g s VAL 32 Ca 0.30 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1j3g s VAL 32 Cb -0.16 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1j3g s VAL 32 CO 0.13 -0.01 0.07 -0.69 0.00 0.00 0.00 175.10 174.60 1j3g s VAL 33 N 1.55 3.89 -0.16 2.92 1.01 0.97 -4.11 120.40 126.47 1j3g s VAL 33 Ca 0.03 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1j3g s VAL 33 Cb -0.18 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.30 1j3g s VAL 33 CO 0.05 0.07 0.96 -1.38 0.00 0.00 0.00 175.10 174.80 1j3g s HIS 34 N 1.48 -0.41 -0.40 5.22 -3.43 -1.26 -3.86 115.29 112.63 1j3g s HIS 34 Ca 0.02 0.74 -0.18 0.00 -0.80 0.00 0.00 55.06 54.84 1j3g s HIS 34 Cb -0.17 0.44 0.01 0.00 -1.43 0.00 0.00 32.58 31.43 1j3g s HIS 34 CO 0.02 -0.37 0.47 1.21 -2.00 0.00 0.00 174.74 174.08 1j3g s ASN 35 N -1.01 6.23 0.42 7.38 2.47 -1.26 -3.82 114.94 125.35 1j3g s ASN 35 Ca -0.02 -0.47 0.03 0.00 0.42 0.00 0.00 52.86 52.82 1j3g s ASN 35 Cb -0.01 -2.24 -0.03 0.00 -1.45 0.00 0.00 41.25 37.52 1j3g s ASN 35 CO 0.02 -0.57 0.09 -0.63 -3.72 0.00 0.00 177.10 172.30 1j3g s ILE 36 N 2.27 0.82 -0.16 -5.21 -1.09 -1.18 -4.90 121.20 111.75 1j3g s ILE 36 Ca 0.15 -2.00 -0.06 0.00 -2.23 0.00 0.00 60.65 56.51 1j3g s ILE 36 Cb -0.16 -2.39 0.07 0.00 -1.58 0.00 0.00 42.46 38.40 1j3g s ILE 36 CO 0.14 0.00 0.33 -0.55 -1.23 0.00 0.00 174.94 173.63 1j3g s SER 37 N -3.64 0.04 0.28 3.58 0.15 -1.26 -1.94 113.70 110.91 1j3g s SER 37 Ca 0.22 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1j3g s SER 37 Cb 0.03 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1j3g s SER 37 CO 0.13 -0.23 0.00 -0.11 1.20 0.00 0.00 173.24 174.22 1j3g n LEU 38 N 5.25 -0.60 -4.68 3.45 -0.00 -1.26 -5.08 117.00 114.08 1j3g n LEU 38 Ca -0.09 0.48 -0.42 0.00 -0.00 0.00 0.00 56.01 55.98 1j3g n LEU 38 Cb 0.50 0.76 -0.03 0.00 -0.00 0.00 0.00 43.42 44.65 1j3g n LEU 38 CO 0.02 -0.64 1.05 -2.84 -0.00 0.00 0.00 177.39 174.98 1j3g s PRO 39 N -1.86 4.31 -1.24 1.96 0.02 -1.26 -4.93 135.00 131.99 1j3g s PRO 39 Ca 0.00 1.82 -0.16 0.00 0.02 0.00 0.00 61.00 62.68 1j3g s PRO 39 Cb 0.00 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.90 1j3g s PRO 39 CO 0.00 -0.53 2.19 -0.35 -0.33 0.00 0.00 177.00 177.97 1j3g n PRO 40 N 5.43 2.47 0.00 5.54 -0.04 -1.26 -4.78 135.00 142.37 1j3g n PRO 40 Ca 0.12 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1j3g n PRO 40 Cb 0.45 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1j3g n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 41 N 4.18 -2.82 3.29 0.55 0.00 -1.26 -4.79 105.19 104.34 1j3g n GLY 41 Ca 0.53 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.78 0.36 -0.21 1.61 2.02 -1.26 -5.16 118.70 113.28 1j3g s GLU 42 Ca 0.00 0.97 -0.35 0.00 0.02 0.00 0.00 54.97 55.61 1j3g s GLU 42 Cb 0.00 0.22 0.15 0.00 0.10 0.00 0.00 34.13 34.60 1j3g s GLU 42 CO 0.00 -0.22 1.23 -0.06 0.02 0.00 0.00 175.26 176.23 1j3g s PHE 43 N 2.20 -0.12 -2.61 1.61 0.08 -1.26 -5.05 117.98 112.83 1j3g s PHE 43 Ca -0.05 0.10 0.26 0.00 0.12 0.00 0.00 56.93 57.36 1j3g s PHE 43 Cb -0.11 0.51 0.60 0.00 -0.57 0.00 0.00 43.02 43.45 1j3g s PHE 43 CO -0.13 -0.17 1.48 0.41 -0.10 0.00 0.00 175.22 176.71 1j3g n GLY 44 N 0.01 0.36 3.65 4.36 0.00 -1.26 -4.93 105.19 107.39 1j3g n GLY 44 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -2.07 1.62 0.13 -0.02 0.00 -1.26 -4.94 107.32 100.78 1j3g s GLY 45 Ca 0.31 0.13 0.26 0.00 0.00 0.00 0.00 44.72 45.42 1j3g s GLY 45 CO 0.35 2.28 1.80 -1.55 0.00 0.00 0.00 173.10 175.99 1j3g n PRO 46 N 6.61 0.15 0.02 2.90 -0.04 -1.26 -3.48 135.00 139.90 1j3g n PRO 46 Ca 0.12 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 1j3g n PRO 46 Cb 0.46 -1.69 0.38 0.00 -0.04 0.00 0.00 33.50 32.61 1j3g n PRO 46 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1j3g h TRP 47 N 0.00 0.49 0.44 0.54 2.91 -1.99 0.08 115.95 118.42 1j3g h TRP 47 Ca 0.00 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 1j3g h TRP 47 Cb 0.59 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 1j3g h TRP 47 CO 0.00 0.40 -0.21 0.82 -1.03 0.00 0.00 178.44 178.42 1j3g h ILE 48 N 0.49 0.53 -0.26 2.65 2.04 -1.92 -3.12 117.51 117.93 1j3g h ILE 48 Ca 0.12 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1j3g h ILE 48 Cb 0.12 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1j3g h ILE 48 CO -0.01 0.06 -0.03 -0.78 0.00 0.00 0.00 178.15 177.39 1j3g h ASP 49 N -0.80 0.36 -0.82 1.72 3.58 -1.65 -2.04 116.42 116.78 1j3g h ASP 49 Ca -0.06 -0.06 0.18 0.00 0.42 0.00 0.00 57.03 57.50 1j3g h ASP 49 Cb 0.55 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1j3g h ASP 49 CO 0.10 0.45 0.55 0.00 -2.88 0.00 0.00 179.24 177.45 1j3g h ALA 50 N 1.60 2.19 0.08 -0.78 0.00 -0.94 0.17 119.26 121.58 1j3g h ALA 50 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1j3g h ALA 50 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j3g h ALA 50 CO 0.01 -0.43 -0.04 1.25 0.00 0.00 0.00 179.25 180.05 1j3g h LEU 51 N 0.39 -0.09 0.06 0.00 5.85 -1.31 -1.23 115.31 118.98 1j3g h LEU 51 Ca 0.41 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1j3g h LEU 51 Cb 1.02 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1j3g h LEU 51 CO -0.14 0.24 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.91 1j3g h PHE 52 N -0.42 -0.07 -0.35 1.25 -1.00 -1.05 -2.46 116.94 112.83 1j3g h PHE 52 Ca -0.01 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1j3g h PHE 52 Cb 0.36 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1j3g h PHE 52 CO 0.03 0.01 0.13 0.00 -1.61 0.00 0.00 178.31 176.88 1j3g h THR 53 N -0.14 1.14 0.00 -1.55 1.03 -0.86 -3.47 112.91 109.05 1j3g h THR 53 Ca -0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 1j3g h THR 53 Cb 0.12 0.73 0.00 0.00 -1.07 0.00 0.00 68.15 67.93 1j3g h THR 53 CO 0.01 0.17 0.00 0.61 -0.01 0.00 0.00 175.52 176.30 1j3g n GLY 54 N -1.22 0.80 0.88 2.99 0.00 -0.83 -5.01 105.19 102.81 1j3g n GLY 54 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -1.34 0.61 -1.58 2.61 -2.24 -0.53 -4.97 114.28 106.84 1j3g n THR 55 Ca 0.00 -0.63 -0.46 0.00 -2.27 0.00 0.00 64.05 60.69 1j3g n THR 55 Cb 0.00 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.90 1.51 -3.75 2.28 3.06 -0.81 -4.98 119.36 117.56 1j3g n ILE 56 Ca 0.16 -0.38 -0.37 0.00 -2.50 0.00 0.00 62.75 59.67 1j3g n ILE 56 Cb 0.41 -0.91 -0.07 0.00 0.54 0.00 0.00 39.64 39.61 1j3g n ILE 56 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1j3g s ASP 57 N -0.32 6.40 -0.94 9.51 2.15 -1.26 -5.01 116.67 127.21 1j3g s ASP 57 Ca 0.65 0.48 -0.16 0.00 0.43 0.00 0.00 52.55 53.94 1j3g s ASP 57 Cb -0.77 -2.11 -0.10 0.00 -0.30 0.00 0.00 42.92 39.64 1j3g s ASP 57 CO 0.56 0.30 2.06 -0.81 -0.17 0.00 0.00 175.17 177.11 1j3g n PRO 58 N 2.53 1.93 -0.11 4.34 -0.04 -1.26 -4.48 135.00 137.90 1j3g n PRO 58 Ca -0.17 -1.88 -0.23 0.00 -0.04 0.00 0.00 63.50 61.18 1j3g n PRO 58 Cb 0.54 -2.86 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 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 6.34 1.73 0.15 3.54 2.85 -1.26 -4.76 115.26 123.85 1j3g n ASN 59 Ca 0.50 0.21 -0.10 0.00 -0.11 0.00 0.00 54.58 55.08 1j3g n ASN 59 Cb 0.33 -0.62 -0.05 0.00 1.24 0.00 0.00 39.78 40.68 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -0.68 -0.95 -2.34 5.20 0.00 -2.02 -3.48 119.26 114.98 1j3g h ALA 60 Ca -0.57 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 54.47 1j3g h ALA 60 Cb 1.55 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 1j3g h ALA 60 CO -0.31 -0.98 0.69 -3.38 0.00 0.00 0.00 179.25 175.27 1j3g s HIS 61 N -4.57 0.04 0.18 0.00 -3.43 -1.26 -5.06 115.29 101.19 1j3g s HIS 61 Ca -0.10 -0.34 -0.13 0.00 -0.80 0.00 0.00 55.06 53.70 1j3g s HIS 61 Cb 0.02 0.65 0.08 0.00 -1.43 0.00 0.00 32.58 31.91 1j3g s HIS 61 CO 0.33 -0.69 1.82 -1.00 -2.00 0.00 0.00 174.74 173.20 1j3g h PRO 62 N 2.00 0.79 0.10 -0.38 0.13 -1.93 -3.04 132.00 129.68 1j3g h PRO 62 Ca -0.26 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1j3g h PRO 62 Cb 1.21 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1j3g h PRO 62 CO 0.34 0.57 -0.49 -0.92 -0.23 0.00 0.00 178.00 177.26 1j3g h TYR 63 N 0.79 -1.41 -0.05 1.56 5.03 -1.98 0.13 116.97 121.03 1j3g h TYR 63 Ca 0.21 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 1j3g h TYR 63 Cb -0.03 0.60 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 1j3g h TYR 63 CO -0.02 -0.57 0.00 0.35 -1.32 0.00 0.00 178.16 176.60 1j3g h PHE 64 N -0.71 0.09 -0.60 -3.82 3.04 -1.99 -1.21 116.94 111.75 1j3g h PHE 64 Ca 0.01 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1j3g h PHE 64 Cb 0.73 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.19 1j3g h PHE 64 CO -0.43 0.34 0.39 0.00 -2.02 0.00 0.00 178.31 176.59 1j3g h ALA 65 N 0.74 0.76 0.43 2.41 0.00 -1.50 -1.49 119.26 120.61 1j3g h ALA 65 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j3g h ALA 65 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j3g h ALA 65 CO 0.00 0.20 -0.33 0.78 0.00 0.00 0.00 179.25 179.90 1j3g h GLY 66 N 0.81 -1.04 2.00 0.00 0.00 -0.67 -3.16 103.07 101.01 1j3g h GLY 66 Ca 0.22 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 1j3g h GLY 66 CO -0.05 -0.34 -0.04 0.16 0.00 0.00 0.00 176.54 176.27 1j3g h ILE 67 N -0.73 0.64 -0.96 2.60 -0.00 -1.13 -3.21 117.51 114.72 1j3g h ILE 67 Ca -0.06 -0.17 0.30 0.00 -0.00 0.00 0.00 64.86 64.94 1j3g h ILE 67 Cb 0.61 1.10 -0.16 0.00 -0.00 0.00 0.00 36.82 38.37 1j3g h ILE 67 CO 0.01 0.04 0.31 0.00 -0.00 0.00 0.00 178.15 178.51 1j3g h ALA 68 N 1.96 1.57 -0.45 0.16 0.00 -1.23 0.15 119.26 121.41 1j3g h ALA 68 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j3g h ALA 68 Cb 0.10 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1j3g h ALA 68 CO 0.01 -0.62 0.30 0.45 0.00 0.00 0.00 179.25 179.38 1j3g h HIS 69 N 0.13 0.57 -3.38 0.00 3.86 -1.74 -3.40 115.15 111.19 1j3g h HIS 69 Ca 0.66 0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 59.33 1j3g h HIS 69 Cb 1.50 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.73 1j3g h HIS 69 CO -0.22 0.36 0.09 -0.51 0.86 0.00 0.00 177.93 178.50 1j3g s LEU 70 N -9.54 4.47 0.94 2.43 1.43 0.52 -5.07 118.68 113.86 1j3g s LEU 70 Ca -0.09 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 1j3g s LEU 70 Cb 0.17 -3.11 0.16 0.00 0.03 0.00 0.00 46.19 43.45 1j3g s LEU 70 CO 0.74 0.10 1.09 0.00 0.23 0.00 0.00 176.35 178.51 1j3g s ARG 71 N -0.39 0.84 0.36 1.70 1.70 -1.26 -4.94 118.95 116.96 1j3g s ARG 71 Ca 0.35 1.02 0.08 0.00 -0.47 0.00 0.00 55.73 56.72 1j3g s ARG 71 Cb -0.20 -1.75 -0.06 0.00 -0.57 0.00 0.00 34.95 32.38 1j3g s ARG 71 CO 0.21 -2.58 0.03 0.14 -1.08 0.00 0.00 175.30 172.02 1j3g s VAL 72 N -2.77 2.45 -0.30 4.99 -7.23 -1.26 -4.98 120.40 111.31 1j3g s VAL 72 Ca 0.65 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 1j3g s VAL 72 Cb -0.20 -2.84 0.17 0.00 0.56 0.00 0.00 36.38 34.06 1j3g s VAL 72 CO 0.59 -0.14 1.02 -0.44 -0.31 0.00 0.00 175.10 175.81 1j3g s SER 73 N -3.74 -0.52 0.00 4.85 0.01 -1.18 -4.77 113.70 108.35 1j3g s SER 73 Ca 0.36 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1j3g s SER 73 Cb 0.02 1.54 0.00 0.00 0.21 0.00 0.00 66.02 67.79 1j3g s SER 73 CO 0.19 -0.10 0.00 0.00 0.41 0.00 0.00 173.24 173.74 1j3g n ALA 74 N 4.73 0.00 0.12 1.44 0.00 -1.26 -1.20 120.51 124.34 1j3g n ALA 74 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1j3g n ALA 74 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N 0.00 -1.93 -3.83 0.00 8.25 -1.07 -4.51 115.22 112.13 1j3g n HIS 75 Ca 0.00 0.34 -0.25 0.00 -0.26 0.00 0.00 57.72 57.55 1j3g n HIS 75 Cb 0.00 0.47 -0.17 0.00 1.12 0.00 0.00 29.99 31.41 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 1.84 3.93 -0.36 0.00 1.98 -0.25 -0.93 118.68 124.89 1j3g s LEU 77 Ca 0.04 -0.82 -0.17 0.00 -2.89 0.00 0.00 54.13 50.29 1j3g s LEU 77 Cb -0.13 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.85 1j3g s LEU 77 CO -0.07 -0.22 0.45 -0.63 -1.89 0.00 0.00 176.35 173.99 1j3g s ILE 78 N 1.47 5.08 0.48 6.68 1.01 -1.12 -1.02 121.20 133.78 1j3g s ILE 78 Ca 0.01 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.58 1j3g s ILE 78 Cb -0.18 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 1j3g s ILE 78 CO 0.02 -0.21 1.08 -0.60 0.00 0.00 0.00 174.94 175.23 1j3g s ARG 79 N 2.23 3.73 0.24 2.79 3.52 -0.23 -2.69 118.95 128.54 1j3g s ARG 79 Ca 0.15 1.51 0.13 0.00 -0.13 0.00 0.00 55.73 57.39 1j3g s ARG 79 Cb -0.16 -2.18 0.73 0.00 -1.56 0.00 0.00 34.95 31.78 1j3g s ARG 79 CO 0.13 -0.51 1.36 2.89 -0.81 0.00 0.00 175.30 178.35 1j3g n ARG 80 N -0.85 0.09 -0.60 5.12 1.85 -1.23 -1.70 116.66 119.34 1j3g n ARG 80 Ca 0.09 0.56 -0.02 0.00 -1.00 0.00 0.00 57.85 57.48 1j3g n ARG 80 Cb 0.51 -1.91 0.20 0.00 -1.05 0.00 0.00 32.46 30.21 1j3g n ARG 80 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1j3g n ASP 81 N -1.98 3.70 -3.20 2.89 2.03 -1.26 -3.94 116.55 114.79 1j3g n ASP 81 Ca -0.01 -2.69 -0.15 0.00 0.52 0.00 0.00 54.79 52.46 1j3g n ASP 81 Cb 0.14 -0.64 0.08 0.00 -0.72 0.00 0.00 41.12 39.97 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 0.08 -0.57 3.29 0.27 0.00 -0.69 -5.02 105.19 102.56 1j3g n GLY 82 Ca 0.23 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 1j3g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 83 N -4.89 1.15 -0.26 1.61 2.02 -1.18 -4.77 118.70 112.38 1j3g s GLU 83 Ca 0.16 -1.32 -0.01 0.00 0.02 0.00 0.00 54.97 53.82 1j3g s GLU 83 Cb -0.02 -1.14 0.03 0.00 0.10 0.00 0.00 34.13 33.10 1j3g s GLU 83 CO 0.68 0.23 -0.06 0.42 0.02 0.00 0.00 175.26 176.54 1j3g s ILE 84 N -2.03 2.76 0.05 -1.63 -1.09 -1.26 -1.07 121.20 116.93 1j3g s ILE 84 Ca 0.12 -1.17 0.05 0.00 -2.23 0.00 0.00 60.65 57.42 1j3g s ILE 84 Cb -0.06 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1j3g s ILE 84 CO 0.05 0.13 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.12 1j3g s VAL 85 N 1.28 3.56 -0.20 2.92 1.01 -0.19 -0.85 120.40 127.94 1j3g s VAL 85 Ca -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1j3g s VAL 85 Cb -0.17 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1j3g s VAL 85 CO -0.04 0.26 -0.09 -1.58 0.00 0.00 0.00 175.10 173.64 1j3g s GLN 86 N -1.80 1.93 -0.26 2.72 0.74 0.10 -1.08 119.66 122.00 1j3g s GLN 86 Ca 0.20 -0.86 -0.02 0.00 0.05 0.00 0.00 55.36 54.72 1j3g s GLN 86 Cb -0.11 -2.43 0.02 0.00 1.10 0.00 0.00 33.01 31.59 1j3g s GLN 86 CO 0.11 -0.46 -0.03 0.71 -0.55 0.00 0.00 175.29 175.07 1j3g s TYR 87 N 1.40 3.09 0.00 1.67 1.51 -0.80 -0.84 117.35 123.39 1j3g s TYR 87 Ca -0.02 -1.48 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 1j3g s TYR 87 Cb -0.17 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1j3g s TYR 87 CO -0.08 -0.71 0.00 0.28 -1.11 0.00 0.00 175.55 173.93 1j3g n VAL 88 N 4.70 -2.03 -0.17 0.71 0.31 -1.25 -2.59 118.33 118.00 1j3g n VAL 88 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1j3g n VAL 88 Cb 0.47 -3.62 0.00 0.00 -0.91 0.00 0.00 33.84 29.78 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 0.01 -0.80 -0.90 5.55 -0.04 -1.26 -4.56 135.00 133.01 1j3g n PRO 89 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1j3g n PRO 89 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 1j3g n PRO 89 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j3g n PHE 90 N -2.19 0.26 -3.67 0.54 3.72 -1.26 -4.66 117.46 110.20 1j3g n PHE 90 Ca 0.00 -1.48 -0.09 0.00 -0.05 0.00 0.00 57.45 55.83 1j3g n PHE 90 Cb 0.00 -1.54 -0.09 0.00 -0.94 0.00 0.00 39.48 36.91 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 2.19 -0.69 -0.35 4.37 2.15 -1.26 -5.03 116.67 118.05 1j3g s ASP 91 Ca 0.58 1.15 -0.12 0.00 0.43 0.00 0.00 52.55 54.60 1j3g s ASP 91 Cb 0.26 1.05 0.01 0.00 -0.30 0.00 0.00 42.92 43.95 1j3g s ASP 91 CO -0.01 -0.21 0.43 1.17 -0.17 0.00 0.00 175.17 176.38 1j3g n LYS 92 N 4.34 -2.19 -0.86 4.34 4.81 -1.26 -4.96 118.16 122.37 1j3g n LYS 92 Ca -0.21 1.98 -0.29 0.00 -0.87 0.00 0.00 58.31 58.92 1j3g n LYS 92 Cb 0.56 -5.03 0.02 0.00 0.02 0.00 0.00 35.03 30.60 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1j3g n ARG 93 N -0.19 0.00 -3.33 1.64 0.00 -1.26 -4.83 116.66 108.69 1j3g n ARG 93 Ca 0.09 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.72 1j3g n ARG 93 Cb 0.33 -0.77 0.04 0.00 0.00 0.00 0.00 32.46 32.06 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g s ALA 94 N -1.54 4.62 -0.20 5.13 0.00 -1.26 -4.38 121.76 124.11 1j3g s ALA 94 Ca 0.37 -1.84 -0.06 0.00 0.00 0.00 0.00 51.96 50.44 1j3g s ALA 94 Cb -0.26 -1.20 0.10 0.00 0.00 0.00 0.00 23.12 21.76 1j3g s ALA 94 CO 0.58 -0.71 0.40 -0.46 0.00 0.00 0.00 175.76 175.57 1j3g s TRP 95 N -2.70 -0.79 -0.42 0.00 -0.00 -0.34 -4.54 118.94 110.14 1j3g s TRP 95 Ca 0.52 1.37 0.05 0.00 -0.00 0.00 0.00 56.10 58.04 1j3g s TRP 95 Cb -0.05 0.24 0.30 0.00 -0.00 0.00 0.00 33.47 33.96 1j3g s TRP 95 CO 0.33 -0.52 1.15 -2.39 -0.00 0.00 0.00 176.95 175.51 1j3g n HIS 96 N 5.38 -2.22 0.00 5.86 1.44 -1.26 -3.13 115.22 121.31 1j3g n HIS 96 Ca -0.07 -1.61 0.00 0.00 -2.01 0.00 0.00 57.72 54.02 1j3g n HIS 96 Cb 0.50 1.47 0.00 0.00 0.12 0.00 0.00 29.99 32.08 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.76 0.00 0.00 1.59 0.00 -1.26 -4.94 120.51 116.66 1j3g n ALA 97 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 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 -1.49 2.40 2.96 0.00 0.00 -1.26 -5.01 105.19 102.78 1j3g n GLY 98 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 0.03 -0.01 1.61 1.01 -1.26 -4.06 120.40 117.72 1j3g s VAL 99 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1j3g s VAL 99 Cb 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 36.38 36.31 1j3g s VAL 99 CO 0.00 -0.16 0.86 -0.94 0.00 0.00 0.00 175.10 174.86 1j3g s SER 100 N -0.48 -0.40 -0.16 3.32 1.04 -1.26 -4.66 113.70 111.11 1j3g s SER 100 Ca -0.05 0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.18 1j3g s SER 100 Cb -0.03 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.57 1j3g s SER 100 CO 0.00 -0.62 0.74 -0.94 0.98 0.00 0.00 173.24 173.40 1j3g s SER 101 N -2.28 -0.66 -0.05 7.02 1.04 -1.26 -2.36 113.70 115.15 1j3g s SER 101 Ca 0.03 0.98 -0.29 0.00 0.48 0.00 0.00 55.95 57.15 1j3g s SER 101 Cb -0.01 0.89 0.10 0.00 0.10 0.00 0.00 66.02 67.11 1j3g s SER 101 CO -0.07 -0.42 0.87 -0.47 0.98 0.00 0.00 173.24 174.12 1j3g s TYR 102 N -0.50 -0.42 -1.23 5.02 5.04 -0.77 -4.39 117.35 120.10 1j3g s TYR 102 Ca -0.05 0.51 -0.28 0.00 -2.44 0.00 0.00 57.07 54.81 1j3g s TYR 102 Cb -0.02 0.49 0.04 0.00 0.35 0.00 0.00 41.96 42.82 1j3g s TYR 102 CO 0.05 -0.51 0.52 1.04 -1.34 0.00 0.00 175.55 175.31 1j3g n GLN 103 N 0.26 -0.36 -2.30 4.97 1.13 -1.26 -1.83 117.38 117.98 1j3g n GLN 103 Ca -0.12 0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.82 1j3g n GLN 103 Cb 0.60 -2.51 -0.02 0.00 0.11 0.00 0.00 30.24 28.42 1j3g n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j3g n GLY 104 N -2.16 -0.25 2.88 1.08 0.00 -1.26 -4.95 105.19 100.53 1j3g n GLY 104 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1j3g n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3g s ARG 105 N -4.82 1.38 -0.01 1.61 6.06 -0.76 -5.12 118.95 117.29 1j3g s ARG 105 Ca 0.00 -0.62 -0.19 0.00 -2.50 0.00 0.00 55.73 52.41 1j3g s ARG 105 Cb 0.00 -2.17 -0.05 0.00 0.06 0.00 0.00 34.95 32.79 1j3g s ARG 105 CO 0.00 -0.50 0.56 -2.00 -2.50 0.00 0.00 175.30 170.86 1j3g s GLU 106 N 1.60 4.27 -0.01 5.12 2.56 -1.26 -1.85 118.70 129.13 1j3g s GLU 106 Ca -0.01 0.66 0.06 0.00 0.00 0.00 0.00 54.97 55.68 1j3g s GLU 106 Cb -0.16 -3.34 -0.02 0.00 2.00 0.00 0.00 34.13 32.62 1j3g s GLU 106 CO -0.07 0.39 -0.19 1.03 -0.56 0.00 0.00 175.26 175.86 1j3g s ARG 107 N -0.23 1.50 0.16 4.30 0.52 -0.99 -5.00 118.95 119.20 1j3g s ARG 107 Ca 0.29 -0.71 0.17 0.00 -0.52 0.00 0.00 55.73 54.97 1j3g s ARG 107 Cb -0.18 -1.47 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 1j3g s ARG 107 CO 0.16 0.40 1.09 0.00 0.02 0.00 0.00 175.30 176.96 1j3g s ASN 109 N -5.98 -0.21 -1.30 0.00 0.02 -1.26 -4.62 114.94 101.59 1j3g s ASN 109 Ca 0.00 -0.70 -0.14 0.00 -1.02 0.00 0.00 52.86 51.00 1j3g s ASN 109 Cb 0.08 0.71 0.11 0.00 0.02 0.00 0.00 41.25 42.17 1j3g s ASN 109 CO 0.78 -1.32 1.77 -0.67 0.02 0.00 0.00 177.10 177.68 1j3g n ASP 110 N -0.49 4.84 -2.07 -1.22 -0.08 -1.26 -4.77 116.55 111.49 1j3g n ASP 110 Ca -0.04 -2.96 -0.18 0.00 -1.51 0.00 0.00 54.79 50.11 1j3g n ASP 110 Cb 0.60 -1.63 -0.02 0.00 2.34 0.00 0.00 41.12 42.40 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 6.34 1.26 -4.37 -0.67 1.16 -1.26 -4.34 117.46 115.57 1j3g n PHE 111 Ca 0.44 -1.83 -0.23 0.00 -1.87 0.00 0.00 57.45 53.97 1j3g n PHE 111 Cb 0.42 -1.13 -0.11 0.00 -1.61 0.00 0.00 39.48 37.05 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 0.59 2.96 -0.99 5.98 0.01 -1.26 -4.21 113.70 116.77 1j3g s SER 112 Ca 0.42 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1j3g s SER 112 Cb 0.28 -0.20 0.27 0.00 0.21 0.00 0.00 66.02 66.59 1j3g s SER 112 CO -0.08 -0.01 2.04 0.00 0.41 0.00 0.00 173.24 175.60 1j3g n ILE 113 N 0.03 5.19 0.00 1.44 0.00 -1.26 -4.77 119.36 119.99 1j3g n ILE 113 Ca -0.11 -5.09 0.00 0.00 0.00 0.00 0.00 62.75 57.55 1j3g n ILE 113 Cb 0.58 -1.57 0.00 0.00 0.00 0.00 0.00 39.64 38.65 1j3g n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j3g n GLY 114 N 0.20 0.98 3.17 4.50 0.00 -1.20 -4.79 105.19 108.05 1j3g n GLY 114 Ca 0.51 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1j3g n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3g s ILE 115 N 1.19 0.16 -0.17 -0.61 -1.09 -1.26 -4.47 121.20 114.95 1j3g s ILE 115 Ca 0.00 -1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 56.91 1j3g s ILE 115 Cb 0.00 -1.53 0.05 0.00 -1.58 0.00 0.00 42.46 39.40 1j3g s ILE 115 CO 0.00 -0.71 -0.01 -0.70 -1.23 0.00 0.00 174.94 172.29 1j3g s GLU 116 N -3.91 1.02 0.35 2.79 2.12 -0.10 -3.44 118.70 117.52 1j3g s GLU 116 Ca 0.09 -0.42 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 1j3g s GLU 116 Cb 0.06 -1.92 -0.10 0.00 0.26 0.00 0.00 34.13 32.43 1j3g s GLU 116 CO -0.08 -0.50 0.85 -0.51 -0.54 0.00 0.00 175.26 174.48 1j3g s LEU 117 N 1.75 4.10 0.11 2.70 1.43 -1.25 -2.78 118.68 124.75 1j3g s LEU 117 Ca 0.00 1.56 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 1j3g s LEU 117 Cb -0.16 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 1j3g s LEU 117 CO -0.07 -0.21 -0.12 -0.70 0.23 0.00 0.00 176.35 175.48 1j3g s GLU 118 N -2.76 0.95 0.13 1.70 -6.30 -1.09 -3.13 118.70 108.19 1j3g s GLU 118 Ca 0.55 -1.22 -0.25 0.00 -2.50 0.00 0.00 54.97 51.55 1j3g s GLU 118 Cb -0.12 -0.73 0.08 0.00 0.00 0.00 0.00 34.13 33.36 1j3g s GLU 118 CO 0.17 0.13 1.06 0.20 0.02 0.00 0.00 175.26 176.84 1j3g s GLY 119 N -2.49 -0.14 -0.26 -1.50 0.00 -0.82 -3.50 107.32 98.61 1j3g s GLY 119 Ca 0.08 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.82 1j3g s GLY 119 CO 0.02 1.07 0.10 -0.51 0.00 0.00 0.00 173.10 173.78 1j3g s THR 120 N -2.71 0.17 -1.60 0.90 -4.23 -1.26 -4.41 115.64 102.50 1j3g s THR 120 Ca 0.17 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1j3g s THR 120 Cb -0.01 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1j3g s THR 120 CO 0.02 -0.57 0.05 -0.67 -0.54 0.00 0.00 174.62 172.91 1j3g n ASP 121 N 5.16 -5.45 -3.54 3.99 2.03 -1.26 -1.98 116.55 115.49 1j3g n ASP 121 Ca -0.06 0.01 -0.25 0.00 0.52 0.00 0.00 54.79 55.01 1j3g n ASP 121 Cb 0.44 -4.54 0.05 0.00 -0.72 0.00 0.00 41.12 36.35 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 -3.91 -2.45 -2.25 5.18 -2.24 -1.26 -4.99 114.28 102.36 1j3g n THR 122 Ca -0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 1j3g n THR 122 Cb 0.66 -3.50 -0.01 0.00 -2.10 0.00 0.00 70.33 65.38 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 -7.14 4.07 -0.21 3.22 2.96 -0.84 -4.80 118.68 115.94 1j3g s LEU 123 Ca 0.54 2.34 -0.19 0.00 -0.22 0.00 0.00 54.13 56.60 1j3g s LEU 123 Cb -0.25 -4.17 -0.08 0.00 0.50 0.00 0.00 46.19 42.19 1j3g s LEU 123 CO 0.67 -0.85 0.82 0.00 -1.32 0.00 0.00 176.35 175.66 1j3g n ALA 124 N -0.31 -0.14 0.97 5.97 0.00 -1.26 -4.78 120.51 120.95 1j3g n ALA 124 Ca 0.06 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1j3g n ALA 124 Cb 0.47 -0.85 0.59 0.00 0.00 0.00 0.00 19.45 19.67 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 2.63 0.00 -2.55 0.00 4.01 -1.26 -4.70 117.16 115.28 1j3g n TYR 125 Ca 0.20 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.89 1j3g n TYR 125 Cb -0.02 -0.49 0.01 0.00 -0.31 0.00 0.00 39.34 38.52 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 -1.49 -8.53 -0.10 -0.72 -2.24 -1.25 -4.44 114.28 95.50 1j3g n THR 126 Ca 0.07 0.42 0.08 0.00 -2.27 0.00 0.00 64.05 62.35 1j3g n THR 126 Cb 0.32 -6.36 0.12 0.00 -2.10 0.00 0.00 70.33 62.32 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 -0.33 3.42 9.92 -1.26 -0.37 116.55 127.24 1j3g n ASP 127 Ca 0.06 0.21 0.22 0.00 -0.53 0.00 0.00 54.79 54.75 1j3g n ASP 127 Cb 0.39 -0.10 0.44 0.00 -0.64 0.00 0.00 41.12 41.21 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 0.23 1.84 -0.46 2.24 0.00 -1.95 -1.55 119.26 119.62 1j3g h ALA 128 Ca 0.15 0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.34 1j3g h ALA 128 Cb 0.54 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1j3g h ALA 128 CO -0.05 -0.54 -0.31 1.96 0.00 0.00 0.00 179.25 180.31 1j3g h GLN 129 N 0.32 -0.20 -0.90 0.00 4.20 -0.93 -1.72 115.11 115.88 1j3g h GLN 129 Ca 0.70 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.45 1j3g h GLN 129 Cb 1.56 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.34 1j3g h GLN 129 CO -0.61 -0.14 0.59 1.88 -0.67 0.00 0.00 178.83 179.89 1j3g h TYR 130 N -0.21 1.10 0.54 2.96 0.05 -1.49 0.13 116.97 120.05 1j3g h TYR 130 Ca 0.19 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.97 1j3g h TYR 130 Cb 0.53 -0.37 0.01 0.00 1.01 0.00 0.00 36.73 37.91 1j3g h TYR 130 CO -0.55 0.66 -0.26 1.96 -1.05 0.00 0.00 178.16 178.91 1j3g h GLN 131 N 1.16 -0.70 -0.49 4.88 4.20 -1.30 -1.26 115.11 121.59 1j3g h GLN 131 Ca 0.35 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 59.04 1j3g h GLN 131 Cb -0.03 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1j3g h GLN 131 CO -0.10 -0.39 0.01 1.96 -0.67 0.00 0.00 178.83 179.64 1j3g h GLN 132 N -1.01 0.81 -0.35 1.46 1.08 -1.20 -1.02 115.11 114.88 1j3g h GLN 132 Ca -0.07 -0.21 0.04 0.00 -1.45 0.00 0.00 58.65 56.96 1j3g h GLN 132 Cb 0.63 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 1j3g h GLN 132 CO 0.12 0.80 0.10 1.25 -0.95 0.00 0.00 178.83 180.16 1j3g h LEU 133 N 0.75 0.09 -0.91 1.46 5.85 -0.77 0.11 115.31 121.89 1j3g h LEU 133 Ca 0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1j3g h LEU 133 Cb 0.44 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1j3g h LEU 133 CO 0.02 0.09 0.52 0.00 -0.34 0.00 0.00 178.44 178.73 1j3g h ALA 134 N 1.24 1.17 0.26 1.25 0.00 -0.72 0.29 119.26 122.75 1j3g h ALA 134 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1j3g h ALA 134 Cb 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1j3g h ALA 134 CO -0.18 0.65 -0.21 0.00 0.00 0.00 0.00 179.25 179.51 1j3g h ALA 135 N 1.29 -0.46 -0.27 0.00 0.00 -0.22 1.00 119.26 120.60 1j3g h ALA 135 Ca 0.32 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1j3g h ALA 135 Cb -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1j3g h ALA 135 CO -0.06 -0.78 0.06 0.28 0.00 0.00 0.00 179.25 178.76 1j3g h VAL 136 N -0.47 0.89 -0.22 0.00 2.07 -0.79 -1.89 116.25 115.84 1j3g h VAL 136 Ca -0.02 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1j3g h VAL 136 Cb 0.42 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1j3g h VAL 136 CO -0.01 0.03 -0.01 0.74 0.02 0.00 0.00 177.57 178.34 1j3g h THR 137 N 0.16 0.83 -0.35 2.57 2.02 -0.71 0.10 112.91 117.54 1j3g h THR 137 Ca 0.12 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1j3g h THR 137 Cb 0.12 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1j3g h THR 137 CO -0.15 0.01 0.20 0.78 0.37 0.00 0.00 175.52 176.73 1j3g h ASN 138 N 0.05 0.32 -0.06 4.18 2.35 -0.59 -0.36 115.58 121.47 1j3g h ASN 138 Ca 0.10 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1j3g h ASN 138 Cb 0.14 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1j3g h ASN 138 CO -0.18 0.23 0.04 0.00 -1.65 0.00 0.00 177.43 175.86 1j3g h ALA 139 N 1.16 0.08 -0.67 -0.83 0.00 -0.88 -2.48 119.26 115.64 1j3g h ALA 139 Ca 0.14 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1j3g h ALA 139 Cb 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1j3g h ALA 139 CO -0.07 -0.39 0.35 -0.07 0.00 0.00 0.00 179.25 179.07 1j3g h LEU 140 N 0.03 0.49 -0.90 0.00 3.38 -0.47 -1.64 115.31 116.20 1j3g h LEU 140 Ca 0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1j3g h LEU 140 Cb 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1j3g h LEU 140 CO -0.00 0.31 0.60 0.40 0.09 0.00 0.00 178.44 179.83 1j3g h ILE 141 N 0.63 1.22 0.00 1.22 2.04 -0.94 0.21 117.51 121.88 1j3g h ILE 141 Ca 0.31 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1j3g h ILE 141 Cb 0.25 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1j3g h ILE 141 CO -0.22 0.22 0.00 0.41 0.00 0.00 0.00 178.15 178.56 1j3g n THR 142 N -4.47 0.97 -0.09 -0.27 -1.04 -0.64 -3.00 114.28 105.74 1j3g n THR 142 Ca 0.10 0.44 -0.10 0.00 -2.04 0.00 0.00 64.05 62.45 1j3g n THR 142 Cb 0.03 -1.39 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 1j3g n THR 142 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1j3g n ARG 143 N -2.18 0.52 -3.97 -2.82 5.12 -0.36 -4.92 116.66 108.05 1j3g n ARG 143 Ca 0.01 0.26 -0.30 0.00 -1.93 0.00 0.00 57.85 55.88 1j3g n ARG 143 Cb 0.14 -1.47 -0.16 0.00 -1.16 0.00 0.00 32.46 29.81 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 -2.80 2.41 -0.43 -1.55 2.02 0.59 -5.10 117.35 112.50 1j3g s TYR 144 Ca -0.28 -1.66 -0.14 0.00 -0.37 0.00 0.00 57.07 54.63 1j3g s TYR 144 Cb 0.04 -1.61 0.05 0.00 -0.40 0.00 0.00 41.96 40.04 1j3g s TYR 144 CO 0.41 -0.75 0.31 -1.25 -1.57 0.00 0.00 175.55 172.70 1j3g s PRO 145 N 1.39 2.89 0.00 -1.71 0.04 -1.16 -4.09 135.00 132.37 1j3g s PRO 145 Ca -0.03 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 59.80 1j3g s PRO 145 Cb -0.17 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1j3g s PRO 145 CO -0.07 -0.87 0.00 0.00 0.04 0.00 0.00 177.00 176.10 1j3g n ALA 146 N 5.11 0.82 -0.34 8.56 0.00 -1.26 -4.88 120.51 128.52 1j3g n ALA 146 Ca -0.12 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.63 1j3g n ALA 146 Cb 0.45 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 0.42 -0.45 0.00 2.04 -1.77 0.12 117.51 117.88 1j3g h ILE 147 Ca 0.00 -0.06 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1j3g h ILE 147 Cb 0.00 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 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 1.51 2.19 0.00 1.87 0.00 -1.90 -0.78 119.26 122.15 1j3g h ALA 148 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1j3g h ALA 148 Cb 1.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1j3g h ALA 148 CO -0.18 -0.69 -0.21 0.09 0.00 0.00 0.00 179.25 178.26 1j3g n ASN 149 N -3.78 1.16 -3.44 0.00 4.13 0.35 -4.93 115.26 108.75 1j3g n ASN 149 Ca 0.08 -2.40 -0.28 0.00 1.68 0.00 0.00 54.58 53.66 1j3g n ASN 149 Cb 0.65 -0.27 -0.11 0.00 -1.54 0.00 0.00 39.78 38.51 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1j3g s ASN 150 N -1.74 2.07 -0.21 6.41 -0.87 -0.30 -4.79 114.94 115.51 1j3g s ASN 150 Ca 0.14 -2.82 0.01 0.00 -1.57 0.00 0.00 52.86 48.61 1j3g s ASN 150 Cb 0.12 -0.49 0.05 0.00 -0.02 0.00 0.00 41.25 40.91 1j3g s ASN 150 CO 0.01 -0.21 -0.09 -0.04 -2.57 0.00 0.00 177.10 174.21 1j3g s MET 151 N 0.31 1.89 0.00 -0.60 -1.94 -1.26 -1.89 119.30 115.82 1j3g s MET 151 Ca 0.28 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1j3g s MET 151 Cb -0.05 -2.44 0.00 0.00 2.01 0.00 0.00 34.83 34.35 1j3g s MET 151 CO -0.13 -0.47 0.00 -2.37 -0.01 0.00 0.00 175.02 172.04 1j3g n THR 152 N 4.69 0.00 0.00 2.05 5.66 -0.86 -5.00 114.28 120.82 1j3g n THR 152 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1j3g n THR 152 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 4.20 0.01 1.09 0.00 -1.25 -0.02 105.19 109.21 1j3g n GLY 153 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 0.55 1.61 -0.00 -0.59 -4.48 115.22 112.32 1j3g n HIS 154 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1j3g n HIS 154 Cb 0.00 -0.12 0.12 0.00 -0.00 0.00 0.00 29.99 30.00 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 1.13 4.59 0.19 0.00 2.85 -1.17 -4.45 115.26 118.40 1j3g n ASN 156 Ca 0.13 -3.17 0.14 0.00 -0.11 0.00 0.00 54.58 51.57 1j3g n ASN 156 Cb 0.50 -0.68 0.66 0.00 1.24 0.00 0.00 39.78 41.51 1j3g n ASN 156 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1j3g h ILE 157 N 2.58 0.00 0.00 -1.44 -2.65 -1.78 -3.40 117.51 110.83 1j3g h ILE 157 Ca 0.14 -0.11 0.00 0.00 1.03 0.00 0.00 64.86 65.93 1j3g h ILE 157 Cb 1.99 0.78 0.00 0.00 -2.05 0.00 0.00 36.82 37.54 1j3g h ILE 157 CO 0.54 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.72 1j3g n ALA 158 N -1.85 1.16 -2.61 0.16 0.00 -1.26 -4.58 120.51 111.53 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 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 4.10 0.59 0.00 0.04 -1.26 -4.91 135.00 131.55 1j3g s PRO 159 Ca 0.00 1.17 0.29 0.00 0.04 0.00 0.00 61.00 62.50 1j3g s PRO 159 Cb 0.00 -3.73 1.77 0.00 0.04 0.00 0.00 34.50 32.57 1j3g s PRO 159 CO 0.00 -0.86 2.22 1.49 0.04 0.00 0.00 177.00 179.89 1j3g h GLU 160 N 8.08 0.00 0.00 4.56 4.81 -1.91 -3.05 114.58 127.07 1j3g h GLU 160 Ca -0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1j3g h GLU 160 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1j3g h GLU 160 CO 1.02 0.00 0.00 -0.09 -0.73 0.00 0.00 179.01 179.21 1j3g h ARG 161 N 0.00 0.00 -4.17 1.92 9.65 -1.94 -3.41 114.38 116.42 1j3g h ARG 161 Ca 0.02 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.61 1j3g h ARG 161 Cb 0.10 0.00 -0.27 0.00 -1.39 0.00 0.00 29.97 28.42 1j3g h ARG 161 CO -0.00 0.00 -0.74 0.15 2.80 0.00 0.00 179.97 182.18 1j3g s LYS 162 N -3.97 0.32 0.00 0.20 -0.14 -1.15 -4.91 119.74 110.09 1j3g s LYS 162 Ca -0.03 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 1j3g s LYS 162 Cb 0.11 -0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.01 1j3g s LYS 162 CO 0.41 0.07 0.00 2.41 -0.76 0.00 0.00 175.35 177.48 1j3g n THR 163 N 2.71 0.00 -4.00 2.17 -1.04 -1.26 -3.05 114.28 109.81 1j3g n THR 163 Ca -0.15 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 61.82 1j3g n THR 163 Cb 0.58 0.45 0.01 0.00 -1.82 0.00 0.00 70.33 69.55 1j3g n THR 163 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1j3g n ASP 164 N -0.61 -0.97 -4.58 8.00 2.03 -1.26 -1.51 116.55 117.64 1j3g n ASP 164 Ca 0.00 -1.16 -0.35 0.00 0.52 0.00 0.00 54.79 53.80 1j3g n ASP 164 Cb 0.00 1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 41.86 1j3g n ASP 164 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1j3g s PRO 165 N -2.01 3.15 0.00 -0.67 0.04 -1.26 -3.94 135.00 130.31 1j3g s PRO 165 Ca 0.26 -1.55 0.00 0.00 0.04 0.00 0.00 61.00 59.75 1j3g s PRO 165 Cb -0.01 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1j3g s PRO 165 CO -0.01 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.21 1j3g n GLY 166 N 5.61 0.55 0.00 0.56 0.00 -1.26 -4.92 105.19 105.73 1j3g n GLY 166 Ca 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.71 1.61 -0.04 -1.25 -4.07 135.00 127.54 1j3g n PRO 167 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1j3g n PRO 167 Cb 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.00 -4.15 -1.50 3.54 2.88 -1.26 -4.92 113.62 108.21 1j3g n SER 168 Ca 0.00 -0.69 0.07 0.00 -1.33 0.00 0.00 58.87 56.91 1j3g n SER 168 Cb 0.00 -4.44 0.31 0.00 -0.75 0.00 0.00 64.21 59.33 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 -4.62 1.48 -3.46 0.66 7.35 -1.26 -4.98 117.46 112.63 1j3g n PHE 169 Ca -0.08 -0.54 -0.30 0.00 -0.76 0.00 0.00 57.45 55.77 1j3g n PHE 169 Cb 0.59 -0.33 0.02 0.00 0.35 0.00 0.00 39.48 40.11 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 0.67 -5.82 -0.09 -2.13 -0.08 -1.26 -4.60 116.55 103.24 1j3g n ASP 170 Ca 0.22 -0.24 0.16 0.00 -1.51 0.00 0.00 54.79 53.42 1j3g n ASP 170 Cb 0.90 -2.37 0.56 0.00 2.34 0.00 0.00 41.12 42.55 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 1.47 0.33 -0.23 -0.67 4.06 -1.98 -1.74 115.95 117.19 1j3g h TRP 171 Ca -0.48 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.45 1j3g h TRP 171 Cb 1.33 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 1j3g h TRP 171 CO 0.08 0.14 0.01 0.00 -3.56 0.00 0.00 178.44 175.10 1j3g h ALA 172 N 1.69 0.31 0.76 1.49 0.00 -1.99 -1.20 119.26 120.31 1j3g h ALA 172 Ca 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1j3g h ALA 172 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1j3g h ALA 172 CO -0.07 0.02 -0.37 0.00 0.00 0.00 0.00 179.25 178.82 1j3g h ARG 173 N 0.17 -0.99 -0.05 0.00 2.47 -1.69 -2.60 114.38 111.69 1j3g h ARG 173 Ca 0.07 0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1j3g h ARG 173 Cb 0.39 0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1j3g h ARG 173 CO 0.01 -0.66 -0.03 0.35 0.56 0.00 0.00 179.97 180.20 1j3g h PHE 174 N -1.03 -0.08 -0.91 3.04 3.57 -1.37 -0.87 116.94 119.29 1j3g h PHE 174 Ca -0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1j3g h PHE 174 Cb 0.80 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1j3g h PHE 174 CO -0.03 -0.05 0.60 -0.09 -2.23 0.00 0.00 178.31 176.51 1j3g h ARG 175 N -0.04 1.15 -0.22 1.11 1.12 -1.29 -0.81 114.38 115.40 1j3g h ARG 175 Ca 0.03 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.75 1j3g h ARG 175 Cb 0.08 -0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 29.77 1j3g h ARG 175 CO -0.07 0.76 -0.23 0.00 -3.11 0.00 0.00 179.97 177.33 1j3g h ALA 176 N 1.45 1.21 -0.18 2.80 0.00 -1.05 -3.30 119.26 120.20 1j3g h ALA 176 Ca 0.35 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1j3g h ALA 176 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1j3g h ALA 176 CO -0.09 0.51 -0.25 -0.07 0.00 0.00 0.00 179.25 179.35 1j3g h LEU 177 N 0.35 0.53-10.29 0.00 3.38 0.24 -3.45 115.31 106.07 1j3g h LEU 177 Ca 0.06 -0.51 -0.50 0.00 0.09 0.00 0.00 57.88 57.02 1j3g h LEU 177 Cb 0.60 -0.15 0.16 0.00 0.09 0.00 0.00 40.66 41.36 1j3g h LEU 177 CO 0.04 0.94 0.24 -0.69 0.09 0.00 0.00 178.44 179.06 1j3g s VAL 178 N -4.18 2.64 -0.02 1.22 1.01 -0.77 -4.94 120.40 115.36 1j3g s VAL 178 Ca -0.13 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1j3g s VAL 178 Cb 0.06 -2.54 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 1j3g s VAL 178 CO 0.79 -0.27 2.02 0.41 0.00 0.00 0.00 175.10 178.05 1j3g n THR 179 N -3.98 0.67 -1.05 3.92 -1.04 -1.26 -4.88 114.28 106.66 1j3g n THR 179 Ca 0.08 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.05 61.75 1j3g n THR 179 Cb 0.54 -2.33 -0.16 0.00 -1.82 0.00 0.00 70.33 66.56 1j3g n THR 179 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j3g n PRO 180 N 7.72 2.09 -3.13 -2.82 -0.04 -1.26 -4.69 135.00 132.88 1j3g n PRO 180 Ca 0.22 -1.15 -0.18 0.00 -0.04 0.00 0.00 63.50 62.35 1j3g n PRO 180 Cb 0.41 -2.04 -0.01 0.00 -0.04 0.00 0.00 33.50 31.82 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 2.40 -3.03 -3.52 3.54 2.88 -1.26 -4.90 113.62 109.72 1j3g n SER 181 Ca 0.45 -0.18 -0.15 0.00 -1.33 0.00 0.00 58.87 57.65 1j3g n SER 181 Cb 0.87 -2.57 -0.05 0.00 -0.75 0.00 0.00 64.21 61.71 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 -2.50 -0.55 -0.45 -3.46 0.15 -1.26 -5.03 113.70 100.60 1j3g s SER 182 Ca 0.29 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 57.04 1j3g s SER 182 Cb -0.16 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1j3g s SER 182 CO 0.35 -0.72 0.63 1.57 1.20 0.00 0.00 173.24 176.26 1j3g n HIS 183 N 0.45 -3.20 -2.07 3.44 -0.00 -1.26 -4.93 115.22 107.65 1j3g n HIS 183 Ca -0.18 1.30 -0.36 0.00 -0.00 0.00 0.00 57.72 58.48 1j3g n HIS 183 Cb 0.60 -3.27 0.03 0.00 -0.00 0.00 0.00 29.99 27.35 1j3g n HIS 183 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1j3g s LYS 184 N -2.58 3.09 1.29 1.57 2.20 -1.26 -4.86 119.74 119.19 1j3g s LYS 184 Ca 0.29 1.80 -0.21 0.00 -0.36 0.00 0.00 55.97 57.49 1j3g s LYS 184 Cb -0.06 -1.98 0.32 0.00 -1.51 0.00 0.00 37.83 34.60 1j3g s LYS 184 CO 0.81 -1.10 1.06 -1.83 -0.36 0.00 0.00 175.35 173.93 1j3g s GLU 185 N -3.27 -1.93 0.08 4.03 4.04 -1.26 -5.11 118.70 115.29 1j3g s GLU 185 Ca 0.76 -0.10 -0.26 0.00 0.04 0.00 0.00 54.97 55.41 1j3g s GLU 185 Cb -0.29 -1.52 0.08 0.00 0.02 0.00 0.00 34.13 32.42 1j3g s GLU 185 CO 0.32 -4.17 0.70 1.41 -1.84 0.00 0.00 175.26 171.68 1j3g s MET 186 N -5.39 1.11 0.00 -4.83 1.75 -1.26 -5.19 119.30 105.49 1j3g s MET 186 Ca 0.71 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.85 1j3g s MET 186 Cb -0.09 0.51 0.00 0.00 2.84 0.00 0.00 34.83 38.09 1j3g s MET 186 CO 0.56 -0.47 0.00 2.41 -0.65 0.00 0.00 175.02 176.88