#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 4.19 -0.02 -0.89 2.96 -1.26 -5.03 118.68 118.63 1j3g s LEU 2 Ca 0.00 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.31 1j3g s LEU 2 Cb 0.00 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.24 1j3g s LEU 2 CO 0.00 -0.49 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.74 1j3g s LEU 3 N 2.34 1.74 -0.14 -0.68 1.43 -1.26 -3.45 118.68 118.66 1j3g s LEU 3 Ca 0.44 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 1j3g s LEU 3 Cb -0.17 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.77 1j3g s LEU 3 CO 0.13 0.01 -0.19 -0.62 0.23 0.00 0.00 176.35 175.91 1j3g s ASP 4 N 0.26 2.94 -1.47 2.29 2.15 -0.30 -4.75 116.67 117.80 1j3g s ASP 4 Ca -0.03 -0.57 -0.15 0.00 0.43 0.00 0.00 52.55 52.24 1j3g s ASP 4 Cb -0.06 -1.36 0.12 0.00 -0.30 0.00 0.00 42.92 41.32 1j3g s ASP 4 CO -0.00 0.04 0.64 -0.62 -0.17 0.00 0.00 175.17 175.05 1j3g n GLU 5 N 4.29 -3.17 -1.17 4.34 -0.58 -1.26 0.04 120.64 123.14 1j3g n GLU 5 Ca -0.20 0.39 -0.06 0.00 -0.42 0.00 0.00 57.16 56.87 1j3g n GLU 5 Cb 0.51 -5.10 -0.02 0.00 -0.57 0.00 0.00 31.44 26.26 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 -1.25 0.79 3.52 0.62 0.00 -1.26 -5.01 105.19 102.60 1j3g n GLY 6 Ca 0.04 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.07 1.97 0.00 1.61 0.52 0.11 -4.93 118.94 116.14 1j3g s TRP 7 Ca 0.00 -1.01 -0.29 0.00 0.02 0.00 0.00 56.10 54.81 1j3g s TRP 7 Cb 0.00 -1.34 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1j3g s TRP 7 CO 0.00 -0.00 0.95 -1.17 0.02 0.00 0.00 176.95 176.75 1j3g s LEU 8 N -3.59 4.37 0.76 2.99 0.20 -1.26 -1.15 118.68 121.01 1j3g s LEU 8 Ca 0.30 1.62 -0.12 0.00 0.69 0.00 0.00 54.13 56.62 1j3g s LEU 8 Cb 0.06 -3.52 0.05 0.00 -0.43 0.00 0.00 46.19 42.35 1j3g s LEU 8 CO 0.14 -0.23 1.11 0.00 -0.29 0.00 0.00 176.35 177.08 1j3g s ALA 9 N 0.93 2.60 -1.25 5.97 0.00 -1.22 -4.22 121.76 124.57 1j3g s ALA 9 Ca 0.50 -0.37 -0.28 0.00 0.00 0.00 0.00 51.96 51.82 1j3g s ALA 9 Cb -0.21 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 19.91 1j3g s ALA 9 CO 0.27 -1.47 0.62 0.39 0.00 0.00 0.00 175.76 175.57 1j3g n GLU 10 N -3.23 -0.60 -3.81 0.00 1.02 -1.26 -4.93 120.64 107.83 1j3g n GLU 10 Ca 0.07 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1j3g n GLU 10 Cb 0.58 -2.98 -0.10 0.00 -0.02 0.00 0.00 31.44 28.92 1j3g n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3g s ALA 11 N -3.63 -0.53 -0.11 0.62 0.00 -1.26 -4.53 121.76 112.32 1j3g s ALA 11 Ca 0.42 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1j3g s ALA 11 Cb -0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1j3g s ALA 11 CO 0.96 -0.18 1.19 0.50 0.00 0.00 0.00 175.76 178.23 1j3g s ARG 12 N -0.76 4.31 -0.28 0.00 6.06 0.15 -4.90 118.95 123.53 1j3g s ARG 12 Ca -0.09 1.62 -0.20 0.00 -2.50 0.00 0.00 55.73 54.57 1j3g s ARG 12 Cb -0.05 -3.63 -0.02 0.00 0.06 0.00 0.00 34.95 31.32 1j3g s ARG 12 CO 0.02 -0.54 0.61 -0.98 -2.50 0.00 0.00 175.30 171.91 1j3g s ARG 13 N 2.69 4.02 -0.54 5.12 1.70 -1.26 -1.26 118.95 129.41 1j3g s ARG 13 Ca 0.54 0.40 0.06 0.00 -0.47 0.00 0.00 55.73 56.26 1j3g s ARG 13 Cb -0.22 -3.68 0.22 0.00 -0.57 0.00 0.00 34.95 30.70 1j3g s ARG 13 CO 0.18 -0.46 0.57 0.28 -1.08 0.00 0.00 175.30 174.78 1j3g n VAL 14 N 5.27 0.74 -2.10 4.99 0.31 -0.46 -4.98 118.33 122.10 1j3g n VAL 14 Ca -0.01 -4.51 -0.42 0.00 -0.01 0.00 0.00 64.34 59.39 1j3g n VAL 14 Cb 0.49 -2.00 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 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 -1.50 4.23 -0.14 5.55 0.04 -1.26 -4.33 135.00 137.60 1j3g s PRO 15 Ca 0.35 2.11 -0.03 0.00 0.04 0.00 0.00 61.00 63.46 1j3g s PRO 15 Cb 0.10 -3.67 0.05 0.00 0.04 0.00 0.00 34.50 31.02 1j3g s PRO 15 CO -0.10 -0.68 0.05 0.45 0.04 0.00 0.00 177.00 176.76 1j3g s SER 16 N 2.33 2.17 -1.41 6.66 0.15 -1.26 -5.05 113.70 117.29 1j3g s SER 16 Ca 0.68 -0.46 -0.09 0.00 0.70 0.00 0.00 55.95 56.78 1j3g s SER 16 Cb -0.34 -0.37 -0.08 0.00 -1.71 0.00 0.00 66.02 63.52 1j3g s SER 16 CO 0.28 -0.29 2.97 -0.81 1.20 0.00 0.00 173.24 176.60 1j3g n PRO 17 N 5.19 3.61 -2.29 5.44 -0.04 -1.26 -4.41 135.00 141.23 1j3g n PRO 17 Ca -0.07 -2.21 -0.21 0.00 -0.04 0.00 0.00 63.50 60.97 1j3g n PRO 17 Cb 0.49 -2.69 0.02 0.00 -0.04 0.00 0.00 33.50 31.28 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 3.23 2.66 -2.09 0.54 -0.00 -1.26 -5.07 115.22 113.22 1j3g n HIS 18 Ca 0.73 -2.51 -0.28 0.00 -0.00 0.00 0.00 57.72 55.66 1j3g n HIS 18 Cb 0.31 -0.25 0.18 0.00 -0.00 0.00 0.00 29.99 30.23 1j3g n HIS 18 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1j3g s TYR 19 N -3.58 1.37 0.44 1.57 2.02 -1.26 -4.33 117.35 113.58 1j3g s TYR 19 Ca 0.46 0.11 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 1j3g s TYR 19 Cb 0.40 -3.94 -0.02 0.00 -0.40 0.00 0.00 41.96 38.00 1j3g s TYR 19 CO -0.04 -2.57 0.10 -0.51 -1.57 0.00 0.00 175.55 170.96 1j3g s ASP 20 N -4.91 3.20 -0.15 2.29 1.11 -1.26 -4.91 116.67 112.04 1j3g s ASP 20 Ca 0.74 -1.69 -0.09 0.00 0.18 0.00 0.00 52.55 51.69 1j3g s ASP 20 Cb -0.03 0.54 0.05 0.00 1.07 0.00 0.00 42.92 44.56 1j3g s ASP 20 CO 0.52 -0.93 0.38 0.00 1.18 0.00 0.00 175.17 176.32 1j3g s ARG 22 N 1.18 0.68 -0.78 0.00 3.00 -1.26 -5.09 118.95 116.69 1j3g s ARG 22 Ca -0.08 -0.82 -0.26 0.00 0.00 0.00 0.00 55.73 54.57 1j3g s ARG 22 Cb -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 34.95 34.31 1j3g s ARG 22 CO -0.10 0.12 1.49 -1.25 0.00 0.00 0.00 175.30 175.56 1j3g s PRO 23 N -1.56 3.10 -0.12 3.54 0.04 -1.26 -4.89 135.00 133.85 1j3g s PRO 23 Ca -0.05 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.47 1j3g s PRO 23 Cb -0.10 -4.51 0.09 0.00 0.04 0.00 0.00 34.50 30.02 1j3g s PRO 23 CO 0.01 -2.38 0.78 -0.51 0.04 0.00 0.00 177.00 174.95 1j3g s ASP 24 N 5.23 -0.59 -0.23 6.66 1.01 -1.26 -5.08 116.67 122.41 1j3g s ASP 24 Ca 0.47 0.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.45 1j3g s ASP 24 Cb -0.07 0.64 0.11 0.00 1.01 0.00 0.00 42.92 44.60 1j3g s ASP 24 CO 0.10 -0.47 0.27 -1.81 0.21 0.00 0.00 175.17 173.47 1j3g s ASP 25 N -0.86 1.22 0.10 0.27 1.01 -1.26 -5.11 116.67 112.04 1j3g s ASP 25 Ca -0.06 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 52.97 1j3g s ASP 25 Cb -0.01 0.55 -0.04 0.00 1.01 0.00 0.00 42.92 44.43 1j3g s ASP 25 CO 0.06 -0.33 -0.06 -0.70 0.21 0.00 0.00 175.17 174.34 1j3g s GLU 26 N 2.38 0.83 -0.02 8.23 2.56 -1.26 -5.13 118.70 126.28 1j3g s GLU 26 Ca 0.09 -1.33 -0.30 0.00 0.00 0.00 0.00 54.97 53.42 1j3g s GLU 26 Cb -0.15 -0.16 -0.06 0.00 2.00 0.00 0.00 34.13 35.76 1j3g s GLU 26 CO -0.17 -0.03 1.49 1.21 -0.56 0.00 0.00 175.26 177.19 1j3g s ASN 27 N -3.04 6.78 -0.63 -1.70 3.84 -1.26 -4.94 114.94 113.99 1j3g s ASN 27 Ca 0.12 2.16 -0.27 0.00 0.21 0.00 0.00 52.86 55.07 1j3g s ASN 27 Cb 0.06 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.22 1j3g s ASN 27 CO -0.05 -0.80 1.37 -2.16 -2.79 0.00 0.00 177.10 172.68 1j3g s PRO 28 N 2.94 3.23 -0.34 0.43 0.04 -1.26 -4.70 135.00 135.33 1j3g s PRO 28 Ca 0.67 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 1j3g s PRO 28 Cb -0.32 -4.15 0.27 0.00 0.04 0.00 0.00 34.50 30.34 1j3g s PRO 28 CO 0.27 -2.05 1.22 0.45 0.04 0.00 0.00 177.00 176.93 1j3g n SER 29 N 9.63 -1.39 -3.70 6.66 2.88 -1.26 -4.41 113.62 122.02 1j3g n SER 29 Ca 0.09 -1.87 -0.12 0.00 -1.33 0.00 0.00 58.87 55.64 1j3g n SER 29 Cb 0.49 0.77 -0.12 0.00 -0.75 0.00 0.00 64.21 64.60 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 -0.14 0.09 -0.15 2.46 1.98 -1.26 -3.90 118.68 117.75 1j3g s LEU 30 Ca 0.26 0.65 -0.16 0.00 -2.89 0.00 0.00 54.13 52.00 1j3g s LEU 30 Cb 0.21 0.90 -0.04 0.00 0.66 0.00 0.00 46.19 47.91 1j3g s LEU 30 CO -0.09 -0.19 0.38 -0.22 -1.89 0.00 0.00 176.35 174.33 1j3g s LEU 31 N 1.61 4.24 -0.09 -0.68 2.96 -0.87 -3.50 118.68 122.35 1j3g s LEU 31 Ca -0.07 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 54.44 1j3g s LEU 31 Cb -0.10 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1j3g s LEU 31 CO -0.10 0.04 0.02 -0.69 -1.32 0.00 0.00 176.35 174.30 1j3g s VAL 32 N 0.65 4.49 -0.06 1.68 1.01 -1.21 -1.69 120.40 125.26 1j3g s VAL 32 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1j3g s VAL 32 Cb -0.14 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1j3g s VAL 32 CO 0.07 0.60 -0.00 -0.69 0.00 0.00 0.00 175.10 175.08 1j3g s VAL 33 N -0.85 0.35 -0.19 2.92 1.01 0.73 -3.99 120.40 120.40 1j3g s VAL 33 Ca 0.13 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1j3g s VAL 33 Cb -0.11 -0.48 0.14 0.00 0.00 0.00 0.00 36.38 35.92 1j3g s VAL 33 CO 0.02 0.24 1.08 -1.38 0.00 0.00 0.00 175.10 175.06 1j3g s HIS 34 N 1.68 -0.29 -0.40 5.22 -3.43 -1.26 -3.78 115.29 113.02 1j3g s HIS 34 Ca 0.00 0.50 -0.18 0.00 -0.80 0.00 0.00 55.06 54.58 1j3g s HIS 34 Cb -0.13 0.46 0.01 0.00 -1.43 0.00 0.00 32.58 31.50 1j3g s HIS 34 CO -0.04 -0.27 0.48 1.21 -2.00 0.00 0.00 174.74 174.11 1j3g s ASN 35 N -1.11 6.24 0.41 7.38 3.84 -1.26 -3.47 114.94 126.97 1j3g s ASN 35 Ca 0.01 -0.41 0.03 0.00 0.21 0.00 0.00 52.86 52.70 1j3g s ASN 35 Cb -0.01 -2.25 -0.03 0.00 -0.55 0.00 0.00 41.25 38.42 1j3g s ASN 35 CO -0.01 -0.56 0.09 -0.63 -2.79 0.00 0.00 177.10 173.21 1j3g s ILE 36 N 2.29 0.86 -0.15 -5.21 -1.09 -1.16 -4.82 121.20 111.91 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 -2.41 0.07 0.00 -1.58 0.00 0.00 42.46 38.38 1j3g s ILE 36 CO 0.14 0.00 0.32 -0.55 -1.23 0.00 0.00 174.94 173.62 1j3g s SER 37 N -3.64 0.01 0.16 3.58 0.15 -1.26 -1.01 113.70 111.69 1j3g s SER 37 Ca 0.23 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1j3g s SER 37 Cb 0.04 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 1j3g s SER 37 CO 0.13 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.23 1j3g n LEU 38 N 5.12 -0.36 -4.91 3.45 -0.00 -1.26 -5.04 117.00 114.00 1j3g n LEU 38 Ca -0.11 0.28 -0.27 0.00 -0.00 0.00 0.00 56.01 55.91 1j3g n LEU 38 Cb 0.51 0.47 0.01 0.00 -0.00 0.00 0.00 43.42 44.41 1j3g n LEU 38 CO 0.04 -0.57 0.49 -2.16 -0.00 0.00 0.00 177.39 175.18 1j3g s PRO 39 N -1.48 3.26 0.00 1.96 0.04 -1.26 -4.61 135.00 132.90 1j3g s PRO 39 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1j3g s PRO 39 Cb 0.00 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1j3g s PRO 39 CO 0.00 -0.44 0.87 -0.35 0.04 0.00 0.00 177.00 177.13 1j3g n PRO 40 N -2.41 0.93 0.00 0.56 -0.04 -1.26 -4.56 135.00 128.21 1j3g n PRO 40 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1j3g n PRO 40 Cb 0.56 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 0.48 -3.19 3.47 0.55 0.00 -1.26 -4.70 105.19 100.54 1j3g n GLY 41 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.72 0.50 -0.03 1.61 2.02 -1.26 -5.15 118.70 113.67 1j3g s GLU 42 Ca 0.00 1.18 -0.29 0.00 0.02 0.00 0.00 54.97 55.88 1j3g s GLU 42 Cb 0.00 0.43 0.10 0.00 0.10 0.00 0.00 34.13 34.77 1j3g s GLU 42 CO 0.00 -0.20 1.30 -0.06 0.02 0.00 0.00 175.26 176.32 1j3g s PHE 43 N 2.34 0.01 0.00 1.61 0.08 -1.26 -5.06 117.98 115.69 1j3g s PHE 43 Ca -0.06 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.88 1j3g s PHE 43 Cb -0.10 0.55 0.00 0.00 -0.57 0.00 0.00 43.02 42.90 1j3g s PHE 43 CO -0.16 -0.23 0.61 0.41 -0.10 0.00 0.00 175.22 175.74 1j3g n GLY 44 N -0.80 0.24 3.76 4.36 0.00 -1.26 -5.09 105.19 106.41 1j3g n GLY 44 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1j3g n GLY 44 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3g s GLY 45 N -0.35 2.83 0.33 -0.02 0.00 -1.26 -4.98 107.32 103.86 1j3g s GLY 45 Ca 0.00 0.30 0.26 0.00 0.00 0.00 0.00 44.72 45.28 1j3g s GLY 45 CO 0.00 1.00 1.74 -0.56 0.00 0.00 0.00 173.10 175.28 1j3g h PRO 46 N 5.18 0.00 -1.00 2.90 0.13 -2.01 -3.26 132.00 133.93 1j3g h PRO 46 Ca -0.45 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 1j3g h PRO 46 Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1j3g h PRO 46 CO 0.69 0.00 0.63 -1.49 -0.23 0.00 0.00 178.00 177.60 1j3g h TRP 47 N 0.00 1.13 -0.09 1.56 4.06 -1.98 -0.70 115.95 119.93 1j3g h TRP 47 Ca 0.00 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1j3g h TRP 47 Cb 0.74 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1j3g h TRP 47 CO 0.00 0.43 0.02 0.82 -3.56 0.00 0.00 178.44 176.15 1j3g h ILE 48 N 0.97 1.21 -0.03 1.49 2.04 -1.81 -1.23 117.51 120.14 1j3g h ILE 48 Ca 0.50 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1j3g h ILE 48 Cb 0.53 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1j3g h ILE 48 CO -0.27 0.18 0.02 -0.78 0.00 0.00 0.00 178.15 177.30 1j3g h ASP 49 N -0.08 0.04 -0.63 1.72 3.58 -1.63 -2.75 116.42 116.66 1j3g h ASP 49 Ca 0.03 -0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.53 1j3g h ASP 49 Cb 0.27 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1j3g h ASP 49 CO 0.00 0.06 0.42 0.00 -2.88 0.00 0.00 179.24 176.84 1j3g h ALA 50 N 0.99 1.88 -0.04 -0.78 0.00 -0.99 0.13 119.26 120.44 1j3g h ALA 50 Ca 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j3g h ALA 50 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1j3g h ALA 50 CO -0.00 0.00 0.00 1.25 0.00 0.00 0.00 179.25 180.50 1j3g h LEU 51 N 0.55 0.07 -0.06 0.00 7.12 -1.04 -0.70 115.31 121.25 1j3g h LEU 51 Ca 0.28 -0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1j3g h LEU 51 Cb 0.40 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1j3g h LEU 51 CO -0.09 0.35 -0.08 -0.26 -0.13 0.00 0.00 178.44 178.24 1j3g h PHE 52 N -0.21 0.19 -0.46 1.25 -1.00 -0.89 -3.26 116.94 112.57 1j3g h PHE 52 Ca 0.01 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 1j3g h PHE 52 Cb 0.31 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1j3g h PHE 52 CO 0.03 0.64 -0.07 0.00 -1.61 0.00 0.00 178.31 177.29 1j3g h THR 53 N -0.30 1.25 0.00 -1.55 1.03 -0.92 -3.48 112.91 108.94 1j3g h THR 53 Ca 0.01 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.28 1j3g h THR 53 Cb 0.61 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 1j3g h THR 53 CO 0.02 0.39 0.00 0.61 -0.01 0.00 0.00 175.52 176.53 1j3g n GLY 54 N -0.49 0.86 0.62 2.99 0.00 -0.39 -5.01 105.19 103.78 1j3g n GLY 54 Ca 0.02 0.00 0.06 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 -0.88 0.45 -1.58 2.61 -2.24 -0.48 -4.96 114.28 107.21 1j3g n THR 55 Ca 0.00 -0.45 -0.47 0.00 -2.27 0.00 0.00 64.05 60.86 1j3g n THR 55 Cb 0.00 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.49 1.30 -3.57 2.28 3.06 -0.80 -4.97 119.36 117.15 1j3g n ILE 56 Ca 0.11 -0.32 -0.37 0.00 -2.50 0.00 0.00 62.75 59.66 1j3g n ILE 56 Cb 0.29 -0.88 -0.10 0.00 0.54 0.00 0.00 39.64 39.49 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 -0.22 6.13 -1.18 9.51 2.15 -1.26 -4.95 116.67 126.85 1j3g s ASP 57 Ca 0.68 0.13 -0.08 0.00 0.43 0.00 0.00 52.55 53.71 1j3g s ASP 57 Cb -0.80 -2.14 -0.09 0.00 -0.30 0.00 0.00 42.92 39.59 1j3g s ASP 57 CO 0.55 -0.02 2.69 -0.81 -0.17 0.00 0.00 175.17 177.41 1j3g n PRO 58 N 4.70 2.90 -0.09 4.34 -0.04 -1.26 -4.46 135.00 141.08 1j3g n PRO 58 Ca -0.13 -1.77 -0.17 0.00 -0.04 0.00 0.00 63.50 61.38 1j3g n PRO 58 Cb 0.52 -2.57 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 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 3.67 1.73 -0.07 3.54 2.85 -1.26 -4.58 115.26 121.14 1j3g n ASN 59 Ca 0.62 0.29 -0.07 0.00 -0.11 0.00 0.00 54.58 55.31 1j3g n ASN 59 Cb 0.26 -0.69 -0.01 0.00 1.24 0.00 0.00 39.78 40.59 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -0.85 0.09 -2.38 5.20 0.00 -2.05 -3.46 119.26 115.81 1j3g h ALA 60 Ca -0.32 0.11 0.21 0.00 0.00 0.00 0.00 54.91 54.91 1j3g h ALA 60 Cb 1.20 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1j3g h ALA 60 CO -0.19 -0.54 0.66 -3.38 0.00 0.00 0.00 179.25 175.80 1j3g s HIS 61 N -6.17 0.04 0.02 0.00 -3.43 -1.26 -5.09 115.29 99.40 1j3g s HIS 61 Ca -0.14 -0.36 -0.19 0.00 -0.80 0.00 0.00 55.06 53.57 1j3g s HIS 61 Cb 0.13 0.66 -0.24 0.00 -1.43 0.00 0.00 32.58 31.70 1j3g s HIS 61 CO 0.69 -0.74 1.11 -1.00 -2.00 0.00 0.00 174.74 172.81 1j3g h PRO 62 N 2.00 0.47 -0.91 -0.38 0.13 -1.90 -3.36 132.00 128.05 1j3g h PRO 62 Ca -0.26 -0.51 0.22 0.00 -0.87 0.00 0.00 66.00 64.58 1j3g h PRO 62 Cb 1.21 0.15 -0.17 0.00 0.13 0.00 0.00 31.00 32.32 1j3g h PRO 62 CO 0.34 1.16 -0.03 -0.92 -0.23 0.00 0.00 178.00 178.32 1j3g h TYR 63 N 0.00 -0.13 0.39 1.56 3.20 -1.98 0.20 116.97 120.20 1j3g h TYR 63 Ca -0.09 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1j3g h TYR 63 Cb 1.41 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 1j3g h TYR 63 CO 0.14 -0.37 -0.29 0.35 -1.64 0.00 0.00 178.16 176.36 1j3g h PHE 64 N 0.04 -0.76 -0.51 -3.82 3.04 -1.98 -0.79 116.94 112.17 1j3g h PHE 64 Ca 0.51 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.41 1j3g h PHE 64 Cb 0.97 0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.74 1j3g h PHE 64 CO -0.52 -0.43 0.13 0.00 -2.02 0.00 0.00 178.31 175.47 1j3g h ALA 65 N -0.13 0.67 -0.37 2.41 0.00 -1.64 -3.22 119.26 116.97 1j3g h ALA 65 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1j3g h ALA 65 Cb 0.57 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1j3g h ALA 65 CO 0.00 0.36 -0.34 0.78 0.00 0.00 0.00 179.25 180.05 1j3g h GLY 66 N 0.70 -1.48 1.74 0.00 0.00 -0.11 -2.77 103.07 101.14 1j3g h GLY 66 Ca 0.16 0.84 -0.01 0.00 0.00 0.00 0.00 47.33 48.31 1j3g h GLY 66 CO 0.00 -0.38 0.09 0.16 0.00 0.00 0.00 176.54 176.40 1j3g h ILE 67 N -0.15 1.11 -0.85 2.60 3.07 -1.22 -3.32 117.51 118.76 1j3g h ILE 67 Ca 0.06 -0.35 0.30 0.00 1.55 0.00 0.00 64.86 66.43 1j3g h ILE 67 Cb 0.31 0.83 -0.16 0.00 -0.27 0.00 0.00 36.82 37.53 1j3g h ILE 67 CO -0.43 0.13 0.25 0.00 -1.05 0.00 0.00 178.15 177.05 1j3g n ALA 68 N -2.49 0.67 0.02 0.16 0.00 -1.04 -0.41 120.51 117.41 1j3g n ALA 68 Ca 0.01 0.89 0.04 0.00 0.00 0.00 0.00 53.44 54.37 1j3g n ALA 68 Cb 0.13 -0.77 0.42 0.00 0.00 0.00 0.00 19.45 19.23 1j3g n ALA 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j3g h HIS 69 N 0.00 0.48 -3.40 0.00 3.86 -1.74 -3.39 115.15 110.96 1j3g h HIS 69 Ca 0.62 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 59.29 1j3g h HIS 69 Cb 1.51 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.78 1j3g h HIS 69 CO -0.21 0.33 0.11 -0.51 0.86 0.00 0.00 177.93 178.51 1j3g s LEU 70 N -9.40 4.46 0.90 2.43 1.02 0.45 -5.06 118.68 113.47 1j3g s LEU 70 Ca -0.08 1.39 -0.11 0.00 0.02 0.00 0.00 54.13 55.35 1j3g s LEU 70 Cb 0.17 -3.15 0.13 0.00 0.02 0.00 0.00 46.19 43.37 1j3g s LEU 70 CO 0.73 0.06 1.10 0.00 0.02 0.00 0.00 176.35 178.27 1j3g s ARG 71 N -0.23 1.23 0.25 1.70 3.03 -1.26 -4.95 118.95 118.71 1j3g s ARG 71 Ca 0.36 1.13 0.11 0.00 2.03 0.00 0.00 55.73 59.35 1j3g s ARG 71 Cb -0.20 -1.78 -0.05 0.00 -1.03 0.00 0.00 34.95 31.89 1j3g s ARG 71 CO 0.22 -2.35 -0.11 0.14 -1.13 0.00 0.00 175.30 172.06 1j3g s VAL 72 N -2.79 2.95 -0.30 4.99 -7.23 -1.26 -4.91 120.40 111.84 1j3g s VAL 72 Ca 0.64 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 1j3g s VAL 72 Cb -0.20 -2.53 0.19 0.00 0.56 0.00 0.00 36.38 34.40 1j3g s VAL 72 CO 0.58 -0.32 1.17 -0.44 -0.31 0.00 0.00 175.10 175.78 1j3g s SER 73 N -3.38 -0.24 0.17 4.85 0.01 -1.21 -4.69 113.70 109.21 1j3g s SER 73 Ca 0.29 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1j3g s SER 73 Cb -0.06 1.19 0.00 0.00 0.21 0.00 0.00 66.02 67.35 1j3g s SER 73 CO 0.16 -0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.76 1j3g n ALA 74 N 3.97 0.00 -0.61 1.44 0.00 -1.26 -1.21 120.51 122.84 1j3g n ALA 74 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1j3g n ALA 74 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -1.05 0.00 -4.02 0.00 8.25 -1.24 -4.37 115.22 112.79 1j3g n HIS 75 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1j3g n HIS 75 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 1.44 4.46 -0.37 0.00 2.96 -0.28 -1.07 118.68 125.82 1j3g s LEU 77 Ca 0.03 -0.65 -0.14 0.00 -0.22 0.00 0.00 54.13 53.15 1j3g s LEU 77 Cb -0.14 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 1j3g s LEU 77 CO -0.10 -0.28 0.29 -0.63 -1.32 0.00 0.00 176.35 174.32 1j3g s ILE 78 N 1.63 5.24 0.40 6.68 1.01 -0.06 -0.62 121.20 135.48 1j3g s ILE 78 Ca 0.04 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 1j3g s ILE 78 Cb -0.18 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1j3g s ILE 78 CO 0.08 -0.14 0.79 -0.60 0.00 0.00 0.00 174.94 175.06 1j3g s ARG 79 N 1.79 3.86 0.66 2.79 3.52 0.31 -0.83 118.95 131.05 1j3g s ARG 79 Ca 0.07 0.59 0.20 0.00 -0.13 0.00 0.00 55.73 56.46 1j3g s ARG 79 Cb -0.18 -2.37 1.07 0.00 -1.56 0.00 0.00 34.95 31.92 1j3g s ARG 79 CO 0.11 -0.01 1.60 0.07 -0.81 0.00 0.00 175.30 176.26 1j3g h ARG 80 N 1.49 0.00 -0.96 5.12 -0.00 -1.39 -1.92 114.38 116.73 1j3g h ARG 80 Ca -0.47 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.26 1j3g h ARG 80 Cb 1.18 0.00 -0.15 0.00 -0.00 0.00 0.00 29.97 31.00 1j3g h ARG 80 CO 0.64 0.00 0.32 -3.47 -0.00 0.00 0.00 179.97 177.46 1j3g n ASP 81 N -2.79 3.50 -2.30 0.08 2.03 -1.26 -3.58 116.55 112.23 1j3g n ASP 81 Ca -0.01 -2.87 -0.20 0.00 0.52 0.00 0.00 54.79 52.23 1j3g n ASP 81 Cb 0.61 -0.68 -0.01 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.32 -0.46 3.51 0.27 0.00 -0.74 -4.98 105.19 102.47 1j3g n GLY 82 Ca 0.32 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1j3g n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3g s GLU 83 N -5.01 3.31 -0.23 1.61 2.02 -1.09 -4.87 118.70 114.44 1j3g s GLU 83 Ca 0.00 -0.70 -0.23 0.00 0.02 0.00 0.00 54.97 54.06 1j3g s GLU 83 Cb -0.00 -3.88 -0.01 0.00 0.10 0.00 0.00 34.13 30.34 1j3g s GLU 83 CO 0.00 -0.61 0.76 0.42 0.02 0.00 0.00 175.26 175.85 1j3g s ILE 84 N 1.86 4.90 0.08 -1.63 1.01 -1.26 -0.53 121.20 125.63 1j3g s ILE 84 Ca 0.08 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.23 1j3g s ILE 84 Cb -0.18 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1j3g s ILE 84 CO 0.11 -0.01 -0.07 -0.69 0.00 0.00 0.00 174.94 174.28 1j3g s VAL 85 N 2.55 3.59 -0.12 2.92 1.01 0.21 -0.67 120.40 129.89 1j3g s VAL 85 Ca 0.33 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1j3g s VAL 85 Cb -0.16 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1j3g s VAL 85 CO 0.09 0.16 -0.13 -1.58 0.00 0.00 0.00 175.10 173.63 1j3g s GLN 86 N -2.12 2.06 -0.10 2.72 0.74 -0.39 -1.13 119.66 121.45 1j3g s GLN 86 Ca 0.22 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.19 1j3g s GLN 86 Cb -0.11 -1.88 0.00 0.00 1.10 0.00 0.00 33.01 32.12 1j3g s GLN 86 CO 0.14 -0.18 -0.22 0.71 -0.55 0.00 0.00 175.29 175.19 1j3g s TYR 87 N 1.35 2.42 -0.23 1.67 1.51 -0.48 -1.36 117.35 122.24 1j3g s TYR 87 Ca 0.01 -1.01 -0.02 0.00 -1.01 0.00 0.00 57.07 55.04 1j3g s TYR 87 Cb -0.13 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1j3g s TYR 87 CO -0.07 -0.42 0.03 0.28 -1.11 0.00 0.00 175.55 174.27 1j3g n VAL 88 N 3.61-10.06 -0.34 0.71 0.31 -1.26 -3.73 118.33 107.57 1j3g n VAL 88 Ca -0.20 1.59 -0.01 0.00 -0.01 0.00 0.00 64.34 65.71 1j3g n VAL 88 Cb 0.53 -6.24 0.01 0.00 -0.91 0.00 0.00 33.84 27.23 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 0.69 -1.46 0.00 5.55 -0.04 -1.26 -4.68 135.00 133.80 1j3g n PRO 89 Ca -0.06 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1j3g n PRO 89 Cb 0.09 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 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 -2.79 0.00 -3.70 0.54 3.01 -1.26 -4.53 117.46 108.74 1j3g n PHE 90 Ca 0.01 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.24 1j3g n PHE 90 Cb 0.03 -0.01 -0.17 0.00 -0.01 0.00 0.00 39.48 39.31 1j3g n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1j3g s ASP 91 N -1.28 1.75 -0.02 4.37 2.15 -1.26 -4.92 116.67 117.45 1j3g s ASP 91 Ca 0.00 -0.23 -0.01 0.00 0.43 0.00 0.00 52.55 52.74 1j3g s ASP 91 Cb 0.00 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.31 1j3g s ASP 91 CO 0.00 -0.26 0.03 1.17 -0.17 0.00 0.00 175.17 175.94 1j3g n LYS 92 N 5.21 -0.14 -1.06 4.34 4.81 -1.26 -5.01 118.16 125.04 1j3g n LYS 92 Ca -0.06 0.60 -0.33 0.00 -0.87 0.00 0.00 58.31 57.64 1j3g n LYS 92 Cb 0.49 -1.68 0.01 0.00 0.02 0.00 0.00 35.03 33.88 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 -0.42 0.00 -2.95 1.64 3.00 -1.26 -4.88 116.66 111.79 1j3g n ARG 93 Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 1j3g n ARG 93 Cb 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 32.46 31.66 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1j3g n ALA 94 N -1.36 0.94 -3.64 5.13 0.00 -1.26 -4.38 120.51 115.94 1j3g n ALA 94 Ca 0.06 -1.82 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 1j3g n ALA 94 Cb 0.41 0.58 -0.12 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.15 -0.50 -0.44 0.00 -0.00 -0.35 -4.66 118.94 110.85 1j3g s TRP 95 Ca 0.43 1.02 0.05 0.00 -0.00 0.00 0.00 56.10 57.60 1j3g s TRP 95 Cb -0.03 0.00 0.30 0.00 -0.00 0.00 0.00 33.47 33.74 1j3g s TRP 95 CO 0.28 -0.41 1.11 -2.39 -0.00 0.00 0.00 176.95 175.54 1j3g n HIS 96 N 5.36 -2.50 0.12 5.86 1.44 -1.26 -3.29 115.22 120.95 1j3g n HIS 96 Ca -0.06 -1.75 0.00 0.00 -2.01 0.00 0.00 57.72 53.90 1j3g n HIS 96 Cb 0.50 1.52 0.00 0.00 0.12 0.00 0.00 29.99 32.13 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 0.26 0.00 1.59 0.00 -1.26 -4.94 120.51 116.92 1j3g n ALA 97 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1j3g n ALA 97 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.24 2.04 3.20 0.00 0.00 -1.26 -4.88 105.19 103.04 1j3g n GLY 98 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.01 -0.15 1.61 1.01 -1.26 -4.28 120.40 117.31 1j3g s VAL 99 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1j3g s VAL 99 Cb 0.00 -0.49 0.12 0.00 0.00 0.00 0.00 36.38 36.01 1j3g s VAL 99 CO 0.00 0.02 0.94 -0.94 0.00 0.00 0.00 175.10 175.12 1j3g s SER 100 N 0.70 -0.43 0.03 3.32 1.04 -1.24 -4.76 113.70 112.36 1j3g s SER 100 Ca -0.04 0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.92 1j3g s SER 100 Cb -0.05 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1j3g s SER 100 CO -0.05 -0.38 -0.09 -0.94 0.98 0.00 0.00 173.24 172.76 1j3g s SER 101 N -1.02 1.07 -0.11 7.02 1.04 -1.26 -0.39 113.70 120.06 1j3g s SER 101 Ca -0.03 -0.42 -0.14 0.00 0.48 0.00 0.00 55.95 55.84 1j3g s SER 101 Cb -0.01 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1j3g s SER 101 CO 0.03 -0.07 0.36 -0.47 0.98 0.00 0.00 173.24 174.07 1j3g s TYR 102 N -0.93 -0.35 -1.36 5.02 5.04 -0.31 -4.15 117.35 120.30 1j3g s TYR 102 Ca -0.03 0.81 -0.13 0.00 -2.44 0.00 0.00 57.07 55.27 1j3g s TYR 102 Cb -0.08 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.38 1j3g s TYR 102 CO 0.01 -0.25 0.25 1.04 -1.34 0.00 0.00 175.55 175.26 1j3g n GLN 103 N 2.46 -0.67 -2.31 4.97 6.02 -1.26 -1.20 117.38 125.38 1j3g n GLN 103 Ca -0.15 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.70 1j3g n GLN 103 Cb 0.57 -2.99 -0.02 0.00 1.02 0.00 0.00 30.24 28.83 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 -2.35 -0.26 2.86 1.08 0.00 -1.26 -4.99 105.19 100.27 1j3g n GLY 104 Ca -0.24 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.89 1.25 0.12 1.61 3.52 -0.34 -5.14 118.95 115.08 1j3g s ARG 105 Ca 0.00 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 1j3g s ARG 105 Cb 0.00 -2.04 -0.06 0.00 -1.56 0.00 0.00 34.95 31.29 1j3g s ARG 105 CO 0.00 -0.49 0.43 -2.00 -0.81 0.00 0.00 175.30 172.44 1j3g s GLU 106 N 1.67 3.76 -0.23 5.12 2.56 -1.26 -1.17 118.70 129.15 1j3g s GLU 106 Ca -0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.97 55.11 1j3g s GLU 106 Cb -0.16 -2.91 0.00 0.00 2.00 0.00 0.00 34.13 33.06 1j3g s GLU 106 CO -0.07 0.50 -0.04 1.03 -0.56 0.00 0.00 175.26 176.12 1j3g s ARG 107 N -2.18 3.24 0.43 4.30 0.52 0.48 -4.95 118.95 120.78 1j3g s ARG 107 Ca 0.37 -0.72 0.14 0.00 -0.52 0.00 0.00 55.73 55.00 1j3g s ARG 107 Cb -0.13 -3.04 0.93 0.00 0.52 0.00 0.00 34.95 33.23 1j3g s ARG 107 CO 0.20 -0.26 1.95 0.00 0.02 0.00 0.00 175.30 177.21 1j3g s ASN 109 N -6.98 0.04 -1.33 0.00 0.01 -1.26 -4.66 114.94 100.76 1j3g s ASN 109 Ca -0.04 -1.16 -0.16 0.00 -0.71 0.00 0.00 52.86 50.79 1j3g s ASN 109 Cb 0.15 0.49 0.08 0.00 0.41 0.00 0.00 41.25 42.38 1j3g s ASN 109 CO 0.71 -1.00 1.83 -0.67 -1.51 0.00 0.00 177.10 176.46 1j3g n ASP 110 N -0.35 4.72 -1.94 -1.22 2.03 -1.26 -4.78 116.55 113.75 1j3g n ASP 110 Ca 0.00 -2.92 -0.20 0.00 0.52 0.00 0.00 54.79 52.20 1j3g n ASP 110 Cb 0.64 -1.69 0.10 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 7.17 2.19 -4.29 -0.67 1.16 -1.26 -4.39 117.46 117.37 1j3g n PHE 111 Ca 0.48 -1.81 -0.19 0.00 -1.87 0.00 0.00 57.45 54.05 1j3g n PHE 111 Cb 0.43 -0.90 -0.11 0.00 -1.61 0.00 0.00 39.48 37.29 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 -0.63 2.27 -1.04 5.98 0.01 -1.26 -4.35 113.70 114.69 1j3g s SER 112 Ca 0.42 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 1j3g s SER 112 Cb 0.34 -0.10 0.12 0.00 0.21 0.00 0.00 66.02 66.59 1j3g s SER 112 CO 0.04 -0.14 2.47 0.00 0.41 0.00 0.00 173.24 176.02 1j3g n ILE 113 N 0.20 4.69 0.00 1.44 0.00 -1.26 -4.79 119.36 119.65 1j3g n ILE 113 Ca -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 62.75 58.60 1j3g n ILE 113 Cb 0.58 -1.89 0.00 0.00 0.00 0.00 0.00 39.64 38.34 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 1.33 1.03 3.29 4.50 0.00 -1.23 -4.83 105.19 109.28 1j3g n GLY 114 Ca 0.57 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 1.22 0.07 -0.08 -0.61 -1.09 -1.26 -4.21 121.20 115.24 1j3g s ILE 115 Ca 0.00 -1.58 -0.07 0.00 -2.23 0.00 0.00 60.65 56.78 1j3g s ILE 115 Cb 0.00 -1.96 0.02 0.00 -1.58 0.00 0.00 42.46 38.94 1j3g s ILE 115 CO 0.00 -0.31 0.20 -0.70 -1.23 0.00 0.00 174.94 172.90 1j3g s GLU 116 N -4.01 0.22 0.09 2.79 2.12 -0.23 -3.34 118.70 116.34 1j3g s GLU 116 Ca 0.21 0.30 0.02 0.00 0.36 0.00 0.00 54.97 55.86 1j3g s GLU 116 Cb 0.05 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.47 1j3g s GLU 116 CO 0.02 -0.05 0.19 -0.51 -0.54 0.00 0.00 175.26 174.37 1j3g s LEU 117 N 0.27 4.18 -0.01 2.70 1.02 -1.23 -0.88 118.68 124.72 1j3g s LEU 117 Ca -0.01 0.15 0.04 0.00 0.02 0.00 0.00 54.13 54.32 1j3g s LEU 117 Cb -0.03 -2.79 -0.01 0.00 0.02 0.00 0.00 46.19 43.39 1j3g s LEU 117 CO -0.01 0.14 -0.12 -0.70 0.02 0.00 0.00 176.35 175.68 1j3g s GLU 118 N -2.67 1.06 0.01 1.70 2.12 -0.01 -2.99 118.70 117.92 1j3g s GLU 118 Ca 0.33 -0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.19 1j3g s GLU 118 Cb -0.12 -1.00 0.02 0.00 0.26 0.00 0.00 34.13 33.28 1j3g s GLU 118 CO 0.26 0.24 0.21 0.41 -0.54 0.00 0.00 175.26 175.84 1j3g n GLY 119 N 2.89 0.86 2.98 -1.50 0.00 -0.18 -1.06 105.19 109.18 1j3g n GLY 119 Ca -0.15 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.30 -0.49 -1.41 2.61 -4.23 -1.26 -4.18 115.64 104.37 1j3g s THR 120 Ca 0.05 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.54 1j3g s THR 120 Cb -0.00 -0.63 0.01 0.00 1.34 0.00 0.00 72.50 73.22 1j3g s THR 120 CO 0.00 -0.02 0.30 -0.67 -0.54 0.00 0.00 174.62 173.69 1j3g n ASP 121 N 5.36 -0.94 -3.92 3.99 2.03 -1.26 -1.24 116.55 120.56 1j3g n ASP 121 Ca -0.06 -1.22 -0.31 0.00 0.52 0.00 0.00 54.79 53.72 1j3g n ASP 121 Cb 0.50 -1.98 -0.01 0.00 -0.72 0.00 0.00 41.12 38.92 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 -4.66 -1.29 -1.69 5.18 -2.24 -1.26 -4.93 114.28 103.39 1j3g n THR 122 Ca -0.26 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 1j3g n THR 122 Cb 0.66 -2.05 0.02 0.00 -2.10 0.00 0.00 70.33 66.86 1j3g n THR 122 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1j3g n LEU 123 N -4.31 4.08 -3.36 3.22 7.94 -0.37 -4.71 117.00 119.49 1j3g n LEU 123 Ca 0.05 1.06 -0.48 0.00 -1.11 0.00 0.00 56.01 55.53 1j3g n LEU 123 Cb 0.51 -1.49 -0.08 0.00 0.53 0.00 0.00 43.42 42.89 1j3g n LEU 123 CO 0.74 -0.82 1.04 0.00 -1.11 0.00 0.00 177.39 177.24 1j3g n ALA 124 N -0.48 -0.50 1.13 1.96 0.00 -1.26 -4.84 120.51 116.52 1j3g n ALA 124 Ca 0.08 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.93 1j3g n ALA 124 Cb 0.41 -1.48 0.64 0.00 0.00 0.00 0.00 19.45 19.03 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 4.09 0.00 -2.43 0.00 4.01 -1.26 -4.72 117.16 116.85 1j3g n TYR 125 Ca 0.31 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 58.00 1j3g n TYR 125 Cb -0.04 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 38.61 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 -1.39 -8.03 -0.09 -0.72 -2.24 -1.23 -4.38 114.28 96.19 1j3g n THR 126 Ca 0.10 0.50 0.08 0.00 -2.27 0.00 0.00 64.05 62.45 1j3g n THR 126 Cb 0.27 -6.18 0.12 0.00 -2.10 0.00 0.00 70.33 62.44 1j3g n THR 126 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1j3g n ASP 127 N -0.53 0.02 -0.32 3.42 8.00 -1.26 -0.30 116.55 125.58 1j3g n ASP 127 Ca 0.07 0.21 0.20 0.00 0.71 0.00 0.00 54.79 55.98 1j3g n ASP 127 Cb 0.34 -0.10 0.41 0.00 -0.02 0.00 0.00 41.12 41.74 1j3g n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j3g h ALA 128 N 0.23 1.74 -0.50 2.24 0.00 -1.98 -0.73 119.26 120.26 1j3g h ALA 128 Ca 0.15 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1j3g h ALA 128 Cb 0.53 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1j3g h ALA 128 CO -0.05 -0.50 -0.19 1.96 0.00 0.00 0.00 179.25 180.47 1j3g h GLN 129 N 0.32 -0.07 -0.78 0.00 4.20 -0.87 -1.02 115.11 116.89 1j3g h GLN 129 Ca 0.67 0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.42 1j3g h GLN 129 Cb 1.46 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.21 1j3g h GLN 129 CO -0.61 -0.05 0.51 1.88 -0.67 0.00 0.00 178.83 179.90 1j3g h TYR 130 N -0.07 0.91 0.46 2.96 0.05 -1.33 0.30 116.97 120.24 1j3g h TYR 130 Ca 0.24 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 1j3g h TYR 130 Cb 0.44 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1j3g h TYR 130 CO -0.47 0.53 -0.22 1.96 -1.05 0.00 0.00 178.16 178.90 1j3g h GLN 131 N 0.94 -0.59 -0.17 4.88 4.20 -1.21 -1.04 115.11 122.12 1j3g h GLN 131 Ca 0.31 0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.04 1j3g h GLN 131 Cb 0.07 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1j3g h GLN 131 CO -0.09 -0.30 0.01 1.96 -0.67 0.00 0.00 178.83 179.73 1j3g h GLN 132 N -0.85 0.29 -0.40 1.46 4.20 -0.90 -0.67 115.11 118.25 1j3g h GLN 132 Ca -0.06 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 58.61 1j3g h GLN 132 Cb 0.57 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.27 1j3g h GLN 132 CO 0.10 0.50 0.14 1.25 -0.67 0.00 0.00 178.83 180.15 1j3g h LEU 133 N 0.05 0.14 -0.66 1.46 5.85 -0.53 0.38 115.31 122.00 1j3g h LEU 133 Ca 0.05 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1j3g h LEU 133 Cb 0.36 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1j3g h LEU 133 CO 0.01 0.12 0.33 0.00 -0.34 0.00 0.00 178.44 178.55 1j3g h ALA 134 N 1.26 0.85 0.17 1.25 0.00 -0.99 0.19 119.26 121.99 1j3g h ALA 134 Ca 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 134 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1j3g h ALA 134 CO -0.19 0.41 -0.21 0.00 0.00 0.00 0.00 179.25 179.25 1j3g h ALA 135 N 1.15 -0.40 -0.42 0.00 0.00 -0.49 0.75 119.26 119.85 1j3g h ALA 135 Ca 0.23 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1j3g h ALA 135 Cb 0.11 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1j3g h ALA 135 CO -0.03 -0.76 0.14 0.28 0.00 0.00 0.00 179.25 178.88 1j3g h VAL 136 N -0.43 0.85 0.15 0.00 2.07 -0.71 0.30 116.25 118.47 1j3g h VAL 136 Ca 0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1j3g h VAL 136 Cb 0.42 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1j3g h VAL 136 CO -0.08 0.05 -0.19 0.74 0.02 0.00 0.00 177.57 178.11 1j3g h THR 137 N 0.29 0.57 -0.55 2.57 2.02 -0.24 0.60 112.91 118.19 1j3g h THR 137 Ca 0.20 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 1j3g h THR 137 Cb 0.20 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1j3g h THR 137 CO -0.21 0.00 0.25 0.78 0.37 0.00 0.00 175.52 176.70 1j3g h ASN 138 N -0.39 0.32 0.26 4.18 2.35 -0.61 0.01 115.58 121.71 1j3g h ASN 138 Ca 0.01 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1j3g h ASN 138 Cb 0.39 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1j3g h ASN 138 CO -0.08 0.21 -0.13 0.00 -1.65 0.00 0.00 177.43 175.79 1j3g h ALA 139 N 1.33 -0.35 -0.56 -0.83 0.00 -0.30 -0.58 119.26 117.97 1j3g h ALA 139 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1j3g h ALA 139 Cb 0.22 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1j3g h ALA 139 CO -0.21 -0.68 0.28 -0.07 0.00 0.00 0.00 179.25 178.58 1j3g h LEU 140 N -0.40 0.40 -0.78 0.00 -0.00 -0.76 -2.31 115.31 111.48 1j3g h LEU 140 Ca -0.04 0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 1j3g h LEU 140 Cb 0.30 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 40.85 1j3g h LEU 140 CO 0.06 0.27 0.43 0.40 -0.00 0.00 0.00 178.44 179.61 1j3g h ILE 141 N 0.54 0.92 0.00 1.22 2.04 -0.72 0.46 117.51 121.97 1j3g h ILE 141 Ca 0.25 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1j3g h ILE 141 Cb 0.16 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1j3g h ILE 141 CO -0.17 0.14 -0.12 0.74 0.00 0.00 0.00 178.15 178.74 1j3g h THR 142 N 0.75 0.58 0.00 -0.27 2.02 -0.54 -2.79 112.91 112.65 1j3g h THR 142 Ca 0.37 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1j3g h THR 142 Cb 0.32 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1j3g h THR 142 CO -0.23 0.11 -0.23 0.03 0.37 0.00 0.00 175.52 175.57 1j3g h ARG 143 N 0.00 0.00 -4.73 6.66 2.47 -0.94 -3.44 114.38 114.40 1j3g h ARG 143 Ca -0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.07 1j3g h ARG 143 Cb 0.33 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.28 1j3g h ARG 143 CO 0.02 0.07 -0.81 0.71 0.56 0.00 0.00 179.97 180.52 1j3g s TYR 144 N -1.86 2.80 -0.42 3.04 2.02 0.02 -5.04 117.35 117.91 1j3g s TYR 144 Ca -0.07 -1.91 -0.13 0.00 -0.37 0.00 0.00 57.07 54.60 1j3g s TYR 144 Cb 0.01 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1j3g s TYR 144 CO 0.13 -0.81 0.29 -1.25 -1.57 0.00 0.00 175.55 172.33 1j3g s PRO 145 N 1.27 2.84 0.00 -1.71 0.04 -1.06 -3.99 135.00 132.38 1j3g s PRO 145 Ca -0.04 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.77 1j3g s PRO 145 Cb -0.18 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1j3g s PRO 145 CO -0.07 -0.85 0.00 0.00 0.04 0.00 0.00 177.00 176.11 1j3g n ALA 146 N 5.07 0.90 -0.42 8.56 0.00 -1.26 -4.90 120.51 128.46 1j3g n ALA 146 Ca -0.11 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.68 1j3g n ALA 146 Cb 0.45 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.57 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 0.28 -0.15 0.00 2.04 -1.77 0.93 117.51 118.84 1j3g h ILE 147 Ca 0.00 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1j3g h ILE 147 Cb 0.00 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1j3g h ILE 147 CO 0.00 0.02 0.41 0.00 0.00 0.00 0.00 178.15 178.58 1j3g h ALA 148 N 1.46 1.64 0.00 1.87 0.00 -1.90 -0.80 119.26 121.53 1j3g h ALA 148 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1j3g h ALA 148 Cb 2.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.22 1j3g h ALA 148 CO -0.21 -0.49 -0.32 0.09 0.00 0.00 0.00 179.25 178.32 1j3g n ASN 149 N -3.15 0.56 -3.44 0.00 5.03 0.28 -4.51 115.26 110.04 1j3g n ASN 149 Ca 0.01 -2.12 -0.28 0.00 0.87 0.00 0.00 54.58 53.07 1j3g n ASN 149 Cb 0.50 -0.22 -0.11 0.00 -1.02 0.00 0.00 39.78 38.93 1j3g n ASN 149 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1j3g s ASN 150 N -1.29 2.11 -0.07 6.41 -0.87 -0.31 -5.00 114.94 115.92 1j3g s ASN 150 Ca 0.07 -2.78 0.00 0.00 -1.57 0.00 0.00 52.86 48.58 1j3g s ASN 150 Cb 0.06 -0.48 0.02 0.00 -0.02 0.00 0.00 41.25 40.83 1j3g s ASN 150 CO 0.01 -0.22 -0.06 -0.04 -2.57 0.00 0.00 177.10 174.22 1j3g s MET 151 N 0.36 1.14 0.17 -0.60 -1.94 -1.26 -2.06 119.30 115.12 1j3g s MET 151 Ca 0.27 -0.15 -0.05 0.00 -1.71 0.00 0.00 55.69 54.05 1j3g s MET 151 Cb -0.06 -1.20 0.02 0.00 2.01 0.00 0.00 34.83 35.60 1j3g s MET 151 CO -0.12 -0.17 0.32 -2.37 -0.01 0.00 0.00 175.02 172.67 1j3g n THR 152 N 4.53 0.00 0.00 2.05 5.66 -0.68 -4.99 114.28 120.84 1j3g n THR 152 Ca -0.17 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1j3g n THR 152 Cb 0.51 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 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 -0.25 4.79 0.00 1.09 0.00 -1.25 -0.19 105.19 109.39 1j3g n GLY 153 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.87 1.61 -0.00 -0.46 -4.53 115.22 112.71 1j3g n HIS 154 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1j3g n HIS 154 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 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 -0.47 1.35 0.18 0.00 2.85 -0.97 -4.31 115.26 113.90 1j3g n ASN 156 Ca 0.07 -2.09 0.13 0.00 -0.11 0.00 0.00 54.58 52.57 1j3g n ASN 156 Cb 0.38 -0.34 0.64 0.00 1.24 0.00 0.00 39.78 41.70 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 0.75 0.00 0.00 -1.44 -2.65 -1.77 -3.40 117.51 109.01 1j3g h ILE 157 Ca 0.00 -0.10 0.00 0.00 1.03 0.00 0.00 64.86 65.79 1j3g h ILE 157 Cb 0.51 0.75 0.00 0.00 -2.05 0.00 0.00 36.82 36.03 1j3g h ILE 157 CO 0.05 0.00 0.00 0.00 0.03 0.00 0.00 178.15 178.23 1j3g n ALA 158 N -1.83 0.49 -2.59 0.16 0.00 -1.26 -4.67 120.51 110.81 1j3g n ALA 158 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1j3g n ALA 158 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 3.61 0.56 0.00 0.04 -1.26 -4.89 135.00 131.06 1j3g s PRO 159 Ca 0.00 0.36 0.26 0.00 0.04 0.00 0.00 61.00 61.67 1j3g s PRO 159 Cb 0.00 -3.95 1.62 0.00 0.04 0.00 0.00 34.50 32.21 1j3g s PRO 159 CO 0.00 -1.45 2.19 1.49 0.04 0.00 0.00 177.00 179.27 1j3g h GLU 160 N 9.30 0.00 0.00 4.56 4.81 -1.89 -2.56 114.58 128.80 1j3g h GLU 160 Ca -0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1j3g h GLU 160 Cb 1.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1j3g h GLU 160 CO 1.13 0.04 -0.01 -0.09 -0.73 0.00 0.00 179.01 179.35 1j3g h ARG 161 N 0.00 0.00 -4.54 1.92 2.43 -1.94 -3.37 114.38 108.88 1j3g h ARG 161 Ca -0.00 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.62 1j3g h ARG 161 Cb 0.09 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.29 1j3g h ARG 161 CO 0.01 0.01 -0.82 0.15 -1.51 0.00 0.00 179.97 177.80 1j3g s LYS 162 N -4.68 1.90 -0.00 0.20 1.02 -0.96 -4.96 119.74 112.26 1j3g s LYS 162 Ca -0.05 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.51 1j3g s LYS 162 Cb 0.15 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.74 1j3g s LYS 162 CO 0.57 -0.12 0.02 2.41 -0.92 0.00 0.00 175.35 177.31 1j3g n THR 163 N 4.39 0.00 -3.99 2.17 -1.04 -1.26 -2.30 114.28 112.26 1j3g n THR 163 Ca -0.18 -0.17 0.03 0.00 -2.04 0.00 0.00 64.05 61.69 1j3g n THR 163 Cb 0.51 0.65 0.01 0.00 -1.82 0.00 0.00 70.33 69.68 1j3g n THR 163 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1j3g s ASP 164 N -1.75 0.01 -1.01 8.00 2.15 -1.26 -1.04 116.67 121.75 1j3g s ASP 164 Ca -0.00 -0.21 -0.23 0.00 0.43 0.00 0.00 52.55 52.54 1j3g s ASP 164 Cb 0.01 0.15 -0.01 0.00 -0.30 0.00 0.00 42.92 42.77 1j3g s ASP 164 CO 0.03 -0.31 1.74 -2.16 -0.17 0.00 0.00 175.17 174.31 1j3g s PRO 165 N -2.03 3.06 0.00 4.34 0.04 -1.26 -3.90 135.00 135.25 1j3g s PRO 165 Ca 0.29 -0.85 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1j3g s PRO 165 Cb -0.01 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1j3g s PRO 165 CO -0.00 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.53 1j3g n GLY 166 N 6.62 0.73 0.00 0.56 0.00 -1.26 -4.86 105.19 106.98 1j3g n GLY 166 Ca 0.39 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.85 1.61 -0.04 -1.25 -4.30 135.00 127.17 1j3g n PRO 167 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1j3g n PRO 167 Cb 0.00 -0.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.45 -3.83 -1.73 3.54 2.88 -1.26 -4.84 113.62 107.93 1j3g n SER 168 Ca 0.00 -0.78 0.08 0.00 -1.33 0.00 0.00 58.87 56.84 1j3g n SER 168 Cb 0.00 -3.97 0.38 0.00 -0.75 0.00 0.00 64.21 59.87 1j3g n SER 168 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1j3g n PHE 169 N -4.59 1.77 -3.69 0.66 7.35 -1.26 -4.98 117.46 112.72 1j3g n PHE 169 Ca -0.06 -0.65 -0.24 0.00 -0.76 0.00 0.00 57.45 55.75 1j3g n PHE 169 Cb 0.57 -0.38 0.01 0.00 0.35 0.00 0.00 39.48 40.03 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 0.86 -5.31 -0.10 -2.13 -0.08 -1.26 -4.58 116.55 103.94 1j3g n ASP 170 Ca 0.26 -0.86 0.16 0.00 -1.51 0.00 0.00 54.79 52.84 1j3g n ASP 170 Cb 1.04 -2.43 0.55 0.00 2.34 0.00 0.00 41.12 42.62 1j3g n ASP 170 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1j3g h TRP 171 N -0.57 0.35 0.61 -0.67 -0.00 -1.98 0.13 115.95 113.81 1j3g h TRP 171 Ca -0.54 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.33 1j3g h TRP 171 Cb 1.33 -0.11 0.01 0.00 -0.00 0.00 0.00 29.16 30.39 1j3g h TRP 171 CO 0.25 0.14 -0.29 0.00 -0.00 0.00 0.00 178.44 178.54 1j3g h ALA 172 N 1.68 -0.81 -0.23 1.49 0.00 -1.99 -1.15 119.26 118.24 1j3g h ALA 172 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j3g h ALA 172 Cb 0.82 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1j3g h ALA 172 CO -0.08 -0.93 0.15 0.00 0.00 0.00 0.00 179.25 178.40 1j3g h ARG 173 N -0.87 0.31 0.66 0.00 3.08 -1.59 -1.80 114.38 114.17 1j3g h ARG 173 Ca -0.08 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1j3g h ARG 173 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1j3g h ARG 173 CO 0.14 0.21 -0.45 0.35 -1.07 0.00 0.00 179.97 179.14 1j3g h PHE 174 N 0.31 -1.22 -0.37 3.04 3.57 -1.01 -0.81 116.94 120.46 1j3g h PHE 174 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1j3g h PHE 174 Cb -0.03 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1j3g h PHE 174 CO -0.06 -0.66 0.15 -0.09 -2.23 0.00 0.00 178.31 175.42 1j3g h ARG 175 N -1.06 0.51 -0.67 1.11 1.12 -1.23 -1.52 114.38 112.63 1j3g h ARG 175 Ca -0.08 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.64 1j3g h ARG 175 Cb 0.87 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 30.71 1j3g h ARG 175 CO 0.05 0.42 0.10 0.00 -3.11 0.00 0.00 179.97 177.43 1j3g h ALA 176 N 1.66 0.89 0.03 2.80 0.00 -1.07 -3.31 119.26 120.26 1j3g h ALA 176 Ca 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j3g h ALA 176 Cb 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j3g h ALA 176 CO -0.01 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.82 1j3g h LEU 177 N 1.04 -0.04-10.27 0.00 3.38 -0.28 -3.47 115.31 105.67 1j3g h LEU 177 Ca 0.20 -0.52 -0.47 0.00 0.09 0.00 0.00 57.88 57.19 1j3g h LEU 177 Cb 0.46 0.01 0.17 0.00 0.09 0.00 0.00 40.66 41.39 1j3g h LEU 177 CO 0.02 0.51 0.17 -0.69 0.09 0.00 0.00 178.44 178.53 1j3g s VAL 178 N -3.94 2.29 -0.35 1.22 1.01 -0.65 -4.90 120.40 115.08 1j3g s VAL 178 Ca -0.16 0.09 -0.38 0.00 0.00 0.00 0.00 61.98 61.53 1j3g s VAL 178 Cb 0.01 -2.39 -0.14 0.00 0.00 0.00 0.00 36.38 33.86 1j3g s VAL 178 CO 0.65 -0.12 2.03 0.41 0.00 0.00 0.00 175.10 178.06 1j3g n THR 179 N -4.29 0.20 -0.77 3.92 -1.04 -1.26 -4.83 114.28 106.21 1j3g n THR 179 Ca 0.06 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.05 61.82 1j3g n THR 179 Cb 0.55 -1.30 0.01 0.00 -1.82 0.00 0.00 70.33 67.77 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 7.12 1.53 -3.55 -2.82 -0.04 -1.26 -4.68 135.00 131.30 1j3g n PRO 180 Ca 0.39 -0.99 -0.20 0.00 -0.04 0.00 0.00 63.50 62.66 1j3g n PRO 180 Cb 0.15 -1.41 0.06 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.86 -2.39 -3.77 3.54 2.88 -1.26 -4.98 113.62 108.49 1j3g n SER 181 Ca 0.20 -0.75 0.02 0.00 -1.33 0.00 0.00 58.87 57.01 1j3g n SER 181 Cb 0.56 -4.52 0.01 0.00 -0.75 0.00 0.00 64.21 59.51 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 -4.19 0.01 -1.19 -3.46 0.15 -1.26 -5.08 113.70 98.68 1j3g s SER 182 Ca 0.09 -0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.40 1j3g s SER 182 Cb -0.02 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1j3g s SER 182 CO 0.78 -0.38 0.80 1.57 1.20 0.00 0.00 173.24 177.21 1j3g n HIS 183 N -0.90 -2.07 -4.09 3.44 -0.00 -1.26 -4.84 115.22 105.51 1j3g n HIS 183 Ca 0.03 0.76 -0.22 0.00 -0.00 0.00 0.00 57.72 58.29 1j3g n HIS 183 Cb 0.58 -4.16 -0.05 0.00 -0.00 0.00 0.00 29.99 26.36 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 -5.54 2.61 0.20 1.57 2.20 -1.26 -4.95 119.74 114.57 1j3g s LYS 184 Ca 0.23 -1.30 -0.01 0.00 -0.36 0.00 0.00 55.97 54.53 1j3g s LYS 184 Cb -0.06 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 1j3g s LYS 184 CO 0.80 0.26 0.13 -1.83 -0.36 0.00 0.00 175.35 174.35 1j3g s GLU 185 N -3.84 1.20 5.59 4.03 -1.05 -1.26 -5.08 118.70 118.29 1j3g s GLU 185 Ca 0.35 -1.63 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1j3g s GLU 185 Cb -0.06 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1j3g s GLU 185 CO 0.24 -0.38 0.00 -0.12 0.95 0.00 0.00 175.26 175.95 1j3g n MET 186 N -0.27 0.00 0.00 -4.83 1.56 -1.26 -4.91 117.12 107.41 1j3g n MET 186 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 1j3g n MET 186 Cb 0.66 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.03 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65