#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 1.80 -0.11 -0.89 2.96 -1.26 -5.02 118.68 116.16 1j3g s LEU 2 Ca 0.00 -1.62 0.02 0.00 -0.22 0.00 0.00 54.13 52.31 1j3g s LEU 2 Cb 0.00 0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.84 1j3g s LEU 2 CO 0.00 -0.92 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.20 1j3g s LEU 3 N -3.45 1.74 -0.05 -0.68 1.43 -1.26 -2.81 118.68 113.61 1j3g s LEU 3 Ca 0.33 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1j3g s LEU 3 Cb 0.04 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1j3g s LEU 3 CO 0.18 0.02 -0.16 -0.62 0.23 0.00 0.00 176.35 176.00 1j3g s ASP 4 N 0.99 2.06 -1.25 2.29 2.15 -0.27 -4.71 116.67 117.93 1j3g s ASP 4 Ca -0.06 -0.34 -0.05 0.00 0.43 0.00 0.00 52.55 52.52 1j3g s ASP 4 Cb -0.15 -0.65 0.04 0.00 -0.30 0.00 0.00 42.92 41.86 1j3g s ASP 4 CO -0.02 0.13 0.34 -0.62 -0.17 0.00 0.00 175.17 174.83 1j3g n GLU 5 N 3.28 -3.24 -0.95 4.34 1.02 -1.26 -0.85 120.64 122.98 1j3g n GLU 5 Ca -0.19 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1j3g n GLU 5 Cb 0.53 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 1j3g n GLU 5 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3g n GLY 6 N -1.11 0.58 3.76 0.62 0.00 -1.26 -5.02 105.19 102.76 1j3g n GLY 6 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.52 2.41 0.18 1.61 0.52 -0.03 -4.90 118.94 116.22 1j3g s TRP 7 Ca 0.00 -0.65 -0.28 0.00 0.02 0.00 0.00 56.10 55.18 1j3g s TRP 7 Cb 0.00 -1.93 -0.08 0.00 -1.15 0.00 0.00 33.47 30.32 1j3g s TRP 7 CO 0.00 0.10 0.88 -1.17 0.02 0.00 0.00 176.95 176.78 1j3g s LEU 8 N -3.95 4.59 0.55 2.99 2.96 -1.26 -1.12 118.68 123.44 1j3g s LEU 8 Ca 0.37 1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 55.91 1j3g s LEU 8 Cb 0.03 -3.48 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 1j3g s LEU 8 CO 0.21 0.13 1.02 0.00 -1.32 0.00 0.00 176.35 176.38 1j3g s ALA 9 N -0.90 2.92 -1.21 5.97 0.00 -1.12 -4.22 121.76 123.20 1j3g s ALA 9 Ca 0.40 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.42 1j3g s ALA 9 Cb -0.24 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1j3g s ALA 9 CO 0.29 -0.49 0.68 0.39 0.00 0.00 0.00 175.76 176.64 1j3g n GLU 10 N -1.77 -1.13 -3.71 0.00 1.02 -1.26 -4.88 120.64 108.90 1j3g n GLU 10 Ca 0.08 0.31 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 1j3g n GLU 10 Cb 0.53 -3.62 -0.10 0.00 -0.02 0.00 0.00 31.44 28.23 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 -3.58 -1.06 -0.05 0.62 0.00 -1.26 -4.66 121.76 111.76 1j3g s ALA 11 Ca 0.41 1.39 -0.30 0.00 0.00 0.00 0.00 51.96 53.45 1j3g s ALA 11 Cb -0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1j3g s ALA 11 CO 0.91 -0.24 1.39 0.50 0.00 0.00 0.00 175.76 178.32 1j3g s ARG 12 N 0.85 4.26 -0.21 0.00 3.52 0.44 -4.84 118.95 122.98 1j3g s ARG 12 Ca -0.05 1.90 -0.17 0.00 -0.13 0.00 0.00 55.73 57.28 1j3g s ARG 12 Cb -0.06 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 1j3g s ARG 12 CO -0.07 -0.63 0.47 -0.98 -0.81 0.00 0.00 175.30 173.28 1j3g s ARG 13 N 2.89 4.16 -0.46 5.12 1.70 -1.26 -0.75 118.95 130.35 1j3g s ARG 13 Ca 0.62 0.31 0.08 0.00 -0.47 0.00 0.00 55.73 56.28 1j3g s ARG 13 Cb -0.29 -3.57 0.28 0.00 -0.57 0.00 0.00 34.95 30.80 1j3g s ARG 13 CO 0.24 -0.14 0.65 0.28 -1.08 0.00 0.00 175.30 175.25 1j3g n VAL 14 N 4.56 0.47 -2.11 4.99 0.31 0.07 -4.95 118.33 121.67 1j3g n VAL 14 Ca -0.06 -4.55 -0.34 0.00 -0.01 0.00 0.00 64.34 59.38 1j3g n VAL 14 Cb 0.51 -1.63 0.01 0.00 -0.91 0.00 0.00 33.84 31.81 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 -1.93 3.25 -0.24 5.55 0.04 -1.26 -4.24 135.00 136.18 1j3g s PRO 15 Ca 0.38 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 1j3g s PRO 15 Cb 0.21 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.87 1j3g s PRO 15 CO -0.08 -0.89 0.46 0.45 0.04 0.00 0.00 177.00 176.98 1j3g s SER 16 N -2.26 -0.38 -1.10 6.66 0.15 -1.26 -4.97 113.70 110.54 1j3g s SER 16 Ca 0.68 0.79 -0.19 0.00 0.70 0.00 0.00 55.95 57.93 1j3g s SER 16 Cb -0.20 1.52 -0.06 0.00 -1.71 0.00 0.00 66.02 65.57 1j3g s SER 16 CO 0.32 -0.26 2.03 -0.81 1.20 0.00 0.00 173.24 175.72 1j3g n PRO 17 N 5.40 2.14 -2.59 5.44 -0.04 -1.26 -4.18 135.00 139.91 1j3g n PRO 17 Ca -0.06 -2.28 -0.10 0.00 -0.04 0.00 0.00 63.50 61.03 1j3g n PRO 17 Cb 0.50 -3.16 0.03 0.00 -0.04 0.00 0.00 33.50 30.84 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 7.51 1.76 -1.87 0.54 -0.00 -1.26 -5.11 115.22 116.78 1j3g n HIS 18 Ca 0.50 -2.38 -0.30 0.00 -0.00 0.00 0.00 57.72 55.54 1j3g n HIS 18 Cb 0.41 -0.27 0.20 0.00 -0.00 0.00 0.00 29.99 30.32 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 -3.60 1.40 0.50 1.57 2.02 -1.26 -4.46 117.35 113.52 1j3g s TYR 19 Ca 0.34 0.29 0.01 0.00 -0.37 0.00 0.00 57.07 57.34 1j3g s TYR 19 Cb 0.38 -4.13 -0.00 0.00 -0.40 0.00 0.00 41.96 37.80 1j3g s TYR 19 CO -0.02 -2.82 0.03 -0.25 -1.57 0.00 0.00 175.55 170.92 1j3g n ASP 20 N -3.88 2.98 -3.57 2.29 9.92 -0.92 -4.97 116.55 118.40 1j3g n ASP 20 Ca 0.16 -3.26 -0.02 0.00 -0.53 0.00 0.00 54.79 51.14 1j3g n ASP 20 Cb 0.59 0.51 -0.05 0.00 -0.64 0.00 0.00 41.12 41.53 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 2.83 2.21 -1.52 0.00 1.81 -1.26 -5.04 118.95 117.97 1j3g s ARG 22 Ca -0.01 -0.91 -0.10 0.00 -1.72 0.00 0.00 55.73 52.99 1j3g s ARG 22 Cb -0.13 -2.05 -0.07 0.00 -0.45 0.00 0.00 34.95 32.25 1j3g s ARG 22 CO -0.18 0.51 2.78 -0.35 -0.68 0.00 0.00 175.30 177.38 1j3g n PRO 23 N 2.58 3.41 -4.02 3.54 -0.04 -1.26 -4.74 135.00 134.48 1j3g n PRO 23 Ca -0.16 -2.16 -0.10 0.00 -0.04 0.00 0.00 63.50 61.03 1j3g n PRO 23 Cb 0.51 -2.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 1j3g n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1j3g s ASP 24 N 2.45 0.46 -0.27 3.54 1.01 -1.26 -5.15 116.67 117.45 1j3g s ASP 24 Ca 0.64 -0.58 -0.00 0.00 0.71 0.00 0.00 52.55 53.31 1j3g s ASP 24 Cb 0.17 0.09 0.14 0.00 1.01 0.00 0.00 42.92 44.33 1j3g s ASP 24 CO -0.06 -0.31 0.37 -1.81 0.21 0.00 0.00 175.17 173.57 1j3g s ASP 25 N -1.70 0.55 0.12 0.27 1.01 -1.26 -5.11 116.67 110.55 1j3g s ASP 25 Ca -0.11 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 52.97 1j3g s ASP 25 Cb -0.08 1.00 -0.04 0.00 1.01 0.00 0.00 42.92 44.81 1j3g s ASP 25 CO -0.02 -0.34 -0.03 -0.70 0.21 0.00 0.00 175.17 174.29 1j3g s GLU 26 N 2.51 0.91 0.06 8.23 2.56 -1.26 -5.12 118.70 126.59 1j3g s GLU 26 Ca 0.11 -1.39 -0.32 0.00 0.00 0.00 0.00 54.97 53.36 1j3g s GLU 26 Cb -0.14 -0.16 -0.11 0.00 2.00 0.00 0.00 34.13 35.72 1j3g s GLU 26 CO -0.24 -0.08 1.83 -1.71 -0.56 0.00 0.00 175.26 174.50 1j3g n ASN 27 N -0.09 3.74 -4.54 -1.70 2.85 -1.26 -4.94 115.26 109.31 1j3g n ASN 27 Ca -0.10 0.99 -0.42 0.00 -0.11 0.00 0.00 54.58 54.94 1j3g n ASN 27 Cb 0.62 -1.47 -0.03 0.00 1.24 0.00 0.00 39.78 40.13 1j3g n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1j3g s PRO 28 N 3.05 3.33 -0.36 1.20 0.04 -1.26 -4.80 135.00 136.21 1j3g s PRO 28 Ca 0.85 -0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.71 1j3g s PRO 28 Cb -0.57 -4.09 0.20 0.00 0.04 0.00 0.00 34.50 30.08 1j3g s PRO 28 CO 0.42 -1.79 1.04 0.45 0.04 0.00 0.00 177.00 177.16 1j3g s SER 29 N 3.24 -0.43 -0.23 6.66 0.15 -1.26 -4.36 113.70 117.47 1j3g s SER 29 Ca 0.35 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 1j3g s SER 29 Cb -0.10 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.84 1j3g s SER 29 CO 0.19 -0.02 0.56 -0.22 1.20 0.00 0.00 173.24 174.95 1j3g s LEU 30 N 1.24 -0.50 -0.16 3.45 0.20 -1.26 -4.03 118.68 117.62 1j3g s LEU 30 Ca 0.22 1.22 -0.18 0.00 0.69 0.00 0.00 54.13 56.08 1j3g s LEU 30 Cb 0.09 1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 47.73 1j3g s LEU 30 CO -0.11 -0.22 0.48 -0.22 -0.29 0.00 0.00 176.35 175.99 1j3g s LEU 31 N 1.35 4.22 -0.28 -0.68 2.96 -0.99 -3.58 118.68 121.67 1j3g s LEU 31 Ca -0.08 0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 54.48 1j3g s LEU 31 Cb -0.06 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 1j3g s LEU 31 CO -0.14 -0.07 0.09 -0.69 -1.32 0.00 0.00 176.35 174.22 1j3g s VAL 32 N 1.04 4.23 -0.28 1.68 1.01 -1.20 -1.61 120.40 125.27 1j3g s VAL 32 Ca 0.24 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1j3g s VAL 32 Cb -0.15 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1j3g s VAL 32 CO 0.10 0.17 0.03 -0.69 0.00 0.00 0.00 175.10 174.70 1j3g s VAL 33 N 1.57 3.56 -0.29 2.92 1.01 0.71 -3.86 120.40 126.02 1j3g s VAL 33 Ca 0.04 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1j3g s VAL 33 Cb -0.16 -2.83 0.14 0.00 0.00 0.00 0.00 36.38 33.52 1j3g s VAL 33 CO 0.04 0.12 0.94 -1.38 0.00 0.00 0.00 175.10 174.81 1j3g s HIS 34 N 1.43 -0.65 -0.31 5.22 -3.43 -1.26 -4.16 115.29 112.13 1j3g s HIS 34 Ca 0.02 1.28 -0.29 0.00 -0.80 0.00 0.00 55.06 55.27 1j3g s HIS 34 Cb -0.17 0.39 -0.01 0.00 -1.43 0.00 0.00 32.58 31.36 1j3g s HIS 34 CO -0.00 -0.32 1.61 1.21 -2.00 0.00 0.00 174.74 175.23 1j3g s ASN 35 N 1.45 6.21 0.43 7.38 2.47 -1.26 -3.60 114.94 128.03 1j3g s ASN 35 Ca -0.09 1.27 0.03 0.00 0.42 0.00 0.00 52.86 54.49 1j3g s ASN 35 Cb -0.04 -2.53 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 1j3g s ASN 35 CO -0.16 -1.45 0.09 -0.63 -3.72 0.00 0.00 177.10 171.23 1j3g s ILE 36 N 5.80 0.81 -0.18 -5.21 -1.09 -0.83 -4.89 121.20 115.61 1j3g s ILE 36 Ca 0.71 -2.00 -0.07 0.00 -2.23 0.00 0.00 60.65 57.06 1j3g s ILE 36 Cb -0.21 -2.33 0.08 0.00 -1.58 0.00 0.00 42.46 38.42 1j3g s ILE 36 CO 0.31 0.00 0.39 -0.55 -1.23 0.00 0.00 174.94 173.87 1j3g s SER 37 N -3.68 -0.23 0.30 3.58 0.15 -1.26 -1.18 113.70 111.38 1j3g s SER 37 Ca 0.20 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1j3g s SER 37 Cb 0.03 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1j3g s SER 37 CO 0.12 -0.22 0.00 -0.11 1.20 0.00 0.00 173.24 174.22 1j3g n LEU 38 N 5.12 -0.73 -4.86 3.45 -0.00 -1.26 -5.05 117.00 113.67 1j3g n LEU 38 Ca -0.12 0.52 -0.31 0.00 -0.00 0.00 0.00 56.01 56.11 1j3g n LEU 38 Cb 0.51 0.88 -0.01 0.00 -0.00 0.00 0.00 43.42 44.79 1j3g n LEU 38 CO 0.02 -0.62 0.66 -2.16 -0.00 0.00 0.00 177.39 175.29 1j3g s PRO 39 N -1.91 3.73 -0.00 1.96 0.04 -1.26 -4.80 135.00 132.75 1j3g s PRO 39 Ca 0.00 0.75 0.01 0.00 0.04 0.00 0.00 61.00 61.80 1j3g s PRO 39 Cb 0.00 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1j3g s PRO 39 CO 0.00 -0.39 0.87 -0.35 0.04 0.00 0.00 177.00 177.18 1j3g n PRO 40 N -2.17 1.14 -0.01 0.56 -0.04 -1.26 -4.63 135.00 128.59 1j3g n PRO 40 Ca 0.05 -0.17 -0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1j3g n PRO 40 Cb 0.54 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.38 -0.70 3.12 0.55 0.00 -1.26 -4.29 105.19 103.00 1j3g n GLY 41 Ca 0.02 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.30 0.24 -0.22 1.61 2.02 -1.26 -5.15 118.70 112.63 1j3g s GLU 42 Ca -0.00 0.80 -0.36 0.00 0.02 0.00 0.00 54.97 55.43 1j3g s GLU 42 Cb 0.00 0.05 0.15 0.00 0.10 0.00 0.00 34.13 34.43 1j3g s GLU 42 CO 0.02 -0.24 1.26 -0.06 0.02 0.00 0.00 175.26 176.26 1j3g s PHE 43 N 2.15 -0.10 -0.05 1.61 0.08 -1.26 -5.06 117.98 115.36 1j3g s PHE 43 Ca -0.03 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1j3g s PHE 43 Cb -0.11 0.51 -0.00 0.00 -0.57 0.00 0.00 43.02 42.84 1j3g s PHE 43 CO -0.10 -0.15 0.20 0.41 -0.10 0.00 0.00 175.22 175.48 1j3g n GLY 44 N -0.02 0.09 3.66 4.36 0.00 -1.26 -5.00 105.19 107.02 1j3g n GLY 44 Ca 0.02 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 1.64 0.58 -0.02 0.00 -1.26 -4.93 107.32 102.64 1j3g s GLY 45 Ca 0.00 0.59 0.30 0.00 0.00 0.00 0.00 44.72 45.62 1j3g s GLY 45 CO 0.02 2.62 2.23 -0.56 0.00 0.00 0.00 173.10 177.41 1j3g h PRO 46 N 8.49 0.00 -0.73 2.90 0.13 -2.01 -3.09 132.00 137.68 1j3g h PRO 46 Ca -0.30 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1j3g h PRO 46 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1j3g h PRO 46 CO 0.96 0.02 0.17 -1.49 -0.23 0.00 0.00 178.00 177.44 1j3g h TRP 47 N 0.00 0.27 -0.05 1.56 4.06 -1.98 0.54 115.95 120.36 1j3g h TRP 47 Ca -0.00 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 1j3g h TRP 47 Cb 0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1j3g h TRP 47 CO 0.00 -0.08 0.00 0.82 -3.56 0.00 0.00 178.44 175.62 1j3g h ILE 48 N 0.27 1.23 -0.38 1.49 1.08 -1.85 -1.08 117.51 118.27 1j3g h ILE 48 Ca 0.41 -0.69 -0.09 0.00 -0.39 0.00 0.00 64.86 64.10 1j3g h ILE 48 Cb 0.70 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.03 1j3g h ILE 48 CO -0.51 0.19 -0.13 -0.78 -0.69 0.00 0.00 178.15 176.24 1j3g h ASP 49 N -0.19 0.67 -0.50 1.72 3.58 -1.66 -2.80 116.42 117.25 1j3g h ASP 49 Ca 0.01 -0.20 0.04 0.00 0.42 0.00 0.00 57.03 57.30 1j3g h ASP 49 Cb 0.30 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1j3g h ASP 49 CO 0.00 0.82 0.33 0.00 -2.88 0.00 0.00 179.24 177.52 1j3g h ALA 50 N 1.24 1.79 0.42 -0.78 0.00 -0.67 0.13 119.26 121.40 1j3g h ALA 50 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1j3g h ALA 50 Cb 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1j3g h ALA 50 CO 0.04 0.15 -0.20 1.25 0.00 0.00 0.00 179.25 180.48 1j3g h LEU 51 N 0.54 -0.48 -0.10 0.00 7.12 -0.93 -0.34 115.31 121.12 1j3g h LEU 51 Ca 0.20 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 1j3g h LEU 51 Cb 0.14 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1j3g h LEU 51 CO -0.05 -0.31 -0.01 -0.26 -0.13 0.00 0.00 178.44 177.68 1j3g h PHE 52 N -0.61 0.20 -0.28 1.25 -1.00 -1.21 -3.16 116.94 112.13 1j3g h PHE 52 Ca -0.06 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.60 1j3g h PHE 52 Cb 0.46 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1j3g h PHE 52 CO -0.04 0.47 -0.19 0.00 -1.61 0.00 0.00 178.31 176.95 1j3g h THR 53 N -0.13 1.25 0.00 -1.55 1.03 -0.87 -3.48 112.91 109.16 1j3g h THR 53 Ca 0.03 -1.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 1j3g h THR 53 Cb 0.40 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1j3g h THR 53 CO 0.01 0.37 0.00 0.61 -0.01 0.00 0.00 175.52 176.50 1j3g n GLY 54 N -0.49 0.83 0.59 2.99 0.00 -0.25 -5.01 105.19 103.85 1j3g n GLY 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1j3g n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3g n THR 55 N -0.99 0.39 -1.69 2.61 -2.24 -0.51 -4.95 114.28 106.90 1j3g n THR 55 Ca 0.00 -0.42 -0.44 0.00 -2.27 0.00 0.00 64.05 60.92 1j3g n THR 55 Cb 0.00 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 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 0.43 0.14 -3.75 2.28 3.06 -0.94 -4.97 119.36 115.61 1j3g n ILE 56 Ca 0.12 -0.03 -0.36 0.00 -2.50 0.00 0.00 62.75 59.98 1j3g n ILE 56 Cb 0.29 -1.82 -0.07 0.00 0.54 0.00 0.00 39.64 38.58 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 1.71 6.38 -1.13 9.51 2.15 -1.26 -4.88 116.67 129.15 1j3g s ASP 57 Ca 0.80 0.45 -0.21 0.00 0.43 0.00 0.00 52.55 54.01 1j3g s ASP 57 Cb -0.59 -2.11 -0.07 0.00 -0.30 0.00 0.00 42.92 39.85 1j3g s ASP 57 CO 0.38 0.29 1.91 -0.81 -0.17 0.00 0.00 175.17 176.77 1j3g n PRO 58 N 2.66 1.90 -0.04 4.34 -0.04 -1.26 -4.59 135.00 137.97 1j3g n PRO 58 Ca -0.17 -2.47 -0.04 0.00 -0.04 0.00 0.00 63.50 60.77 1j3g n PRO 58 Cb 0.53 -3.49 -0.01 0.00 -0.04 0.00 0.00 33.50 30.49 1j3g n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1j3g n ASN 59 N 11.50 0.98 -0.12 3.54 2.85 -1.26 -4.63 115.26 128.12 1j3g n ASN 59 Ca 0.47 0.16 -0.05 0.00 -0.11 0.00 0.00 54.58 55.05 1j3g n ASN 59 Cb 0.45 -0.55 0.03 0.00 1.24 0.00 0.00 39.78 40.95 1j3g n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3g h ALA 60 N -1.21 0.46 -2.39 5.20 0.00 -2.05 -3.46 119.26 115.81 1j3g h ALA 60 Ca 0.00 0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.18 1j3g h ALA 60 Cb 0.45 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1j3g h ALA 60 CO 0.00 -0.28 0.65 -3.38 0.00 0.00 0.00 179.25 176.24 1j3g s HIS 61 N -6.15 0.04 0.07 0.00 -3.43 -1.26 -5.08 115.29 99.48 1j3g s HIS 61 Ca -0.13 -0.37 -0.17 0.00 -0.80 0.00 0.00 55.06 53.59 1j3g s HIS 61 Cb 0.13 0.66 -0.13 0.00 -1.43 0.00 0.00 32.58 31.81 1j3g s HIS 61 CO 0.72 -0.76 1.33 -1.00 -2.00 0.00 0.00 174.74 173.02 1j3g h PRO 62 N 2.00 0.58 -0.69 -0.38 0.13 -1.90 -3.36 132.00 128.38 1j3g h PRO 62 Ca -0.26 -0.37 0.14 0.00 -0.87 0.00 0.00 66.00 64.63 1j3g h PRO 62 Cb 1.21 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1j3g h PRO 62 CO 0.34 0.99 -0.15 -0.92 -0.23 0.00 0.00 178.00 178.02 1j3g h TYR 63 N 0.25 -0.33 0.29 1.56 3.20 -1.97 0.13 116.97 120.09 1j3g h TYR 63 Ca 0.01 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1j3g h TYR 63 Cb 0.97 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1j3g h TYR 63 CO 0.09 -0.29 -0.30 0.35 -1.64 0.00 0.00 178.16 176.37 1j3g h PHE 64 N 0.01 -0.81 -0.60 -3.82 3.04 -1.97 -1.20 116.94 111.58 1j3g h PHE 64 Ca 0.34 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.28 1j3g h PHE 64 Cb 0.52 0.32 -0.03 0.00 2.56 0.00 0.00 35.95 39.32 1j3g h PHE 64 CO -0.54 -0.43 0.32 0.00 -2.02 0.00 0.00 178.31 175.64 1j3g h ALA 65 N -0.06 0.77 -0.04 2.41 0.00 -1.68 -3.26 119.26 117.41 1j3g h ALA 65 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1j3g h ALA 65 Cb 0.58 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1j3g h ALA 65 CO -0.07 0.30 -0.32 0.78 0.00 0.00 0.00 179.25 179.94 1j3g h GLY 66 N 0.82 -0.51 1.38 0.00 0.00 -0.22 -3.01 103.07 101.52 1j3g h GLY 66 Ca 0.21 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1j3g h GLY 66 CO -0.03 -0.23 0.40 0.16 0.00 0.00 0.00 176.54 176.84 1j3g h ILE 67 N -0.45 1.17 -0.94 2.60 3.07 -1.28 -3.23 117.51 118.45 1j3g h ILE 67 Ca 0.07 -0.33 0.29 0.00 1.55 0.00 0.00 64.86 66.43 1j3g h ILE 67 Cb 0.56 0.26 -0.16 0.00 -0.27 0.00 0.00 36.82 37.21 1j3g h ILE 67 CO -0.29 0.17 0.32 0.00 -1.05 0.00 0.00 178.15 177.30 1j3g h ALA 68 N 1.59 1.54 -0.35 0.16 0.00 -1.60 0.13 119.26 120.73 1j3g h ALA 68 Ca 0.23 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1j3g h ALA 68 Cb -0.07 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1j3g h ALA 68 CO -0.05 -0.57 0.22 0.45 0.00 0.00 0.00 179.25 179.30 1j3g h HIS 69 N 0.18 0.45 -3.45 0.00 3.86 -1.72 -3.39 115.15 111.07 1j3g h HIS 69 Ca 0.64 0.01 -0.54 0.00 -1.16 0.00 0.00 60.37 59.32 1j3g h HIS 69 Cb 1.42 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 29.70 1j3g h HIS 69 CO -0.21 0.30 0.16 -0.51 0.86 0.00 0.00 177.93 178.54 1j3g s LEU 70 N -9.40 4.50 0.75 2.43 1.02 0.46 -5.04 118.68 113.40 1j3g s LEU 70 Ca -0.08 1.51 -0.15 0.00 0.02 0.00 0.00 54.13 55.44 1j3g s LEU 70 Cb 0.17 -3.25 0.04 0.00 0.02 0.00 0.00 46.19 43.17 1j3g s LEU 70 CO 0.73 0.09 1.12 -2.11 0.02 0.00 0.00 176.35 176.20 1j3g n ARG 71 N 2.34 0.46 -4.38 1.70 0.00 -1.26 -4.94 116.66 110.59 1j3g n ARG 71 Ca -0.04 0.22 -0.24 0.00 -0.00 0.00 0.00 57.85 57.80 1j3g n ARG 71 Cb 0.50 -2.37 -0.09 0.00 -0.00 0.00 0.00 32.46 30.50 1j3g n ARG 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1j3g s VAL 72 N -1.88 2.94 -0.29 8.89 -7.23 -1.26 -4.95 120.40 116.62 1j3g s VAL 72 Ca 0.75 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 1j3g s VAL 72 Cb -0.33 -2.54 0.12 0.00 0.56 0.00 0.00 36.38 34.19 1j3g s VAL 72 CO 0.49 -0.35 0.87 -0.44 -0.31 0.00 0.00 175.10 175.36 1j3g s SER 73 N -3.48 -0.67 0.52 4.85 0.01 -1.20 -4.71 113.70 109.02 1j3g s SER 73 Ca 0.30 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.67 1j3g s SER 73 Cb -0.06 1.27 0.08 0.00 0.21 0.00 0.00 66.02 67.52 1j3g s SER 73 CO 0.17 -0.17 0.63 0.00 0.41 0.00 0.00 173.24 174.28 1j3g n ALA 74 N 3.90 0.51 -0.66 1.44 0.00 -1.26 -2.32 120.51 122.12 1j3g n ALA 74 Ca -0.19 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1j3g n ALA 74 Cb 0.58 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1j3g n ALA 74 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j3g n HIS 75 N -2.14 0.00 -4.06 0.00 8.25 -1.25 -4.31 115.22 111.71 1j3g n HIS 75 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.26 1j3g n HIS 75 Cb 0.42 0.03 -0.16 0.00 1.12 0.00 0.00 29.99 31.40 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 1.37 3.79 -0.27 0.00 0.20 0.24 -0.19 118.68 123.83 1j3g s LEU 77 Ca 0.03 -0.90 -0.22 0.00 0.69 0.00 0.00 54.13 53.73 1j3g s LEU 77 Cb -0.14 -1.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.80 1j3g s LEU 77 CO -0.11 -0.21 0.71 -0.63 -0.29 0.00 0.00 176.35 175.82 1j3g s ILE 78 N 1.41 4.91 0.40 6.68 1.01 -0.66 -0.73 121.20 134.21 1j3g s ILE 78 Ca 0.00 1.20 -0.27 0.00 0.00 0.00 0.00 60.65 61.59 1j3g s ILE 78 Cb -0.18 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1j3g s ILE 78 CO 0.00 -0.07 1.35 -0.60 0.00 0.00 0.00 174.94 175.62 1j3g s ARG 79 N 2.68 4.00 0.60 2.79 6.06 0.55 -1.27 118.95 134.36 1j3g s ARG 79 Ca 0.29 2.27 0.29 0.00 -2.50 0.00 0.00 55.73 56.08 1j3g s ARG 79 Cb -0.15 -2.82 1.52 0.00 0.06 0.00 0.00 34.95 33.56 1j3g s ARG 79 CO 0.09 -0.51 1.93 0.07 -2.50 0.00 0.00 175.30 174.38 1j3g h ARG 80 N 2.77 0.00 -1.20 5.12 -0.00 -1.87 -1.45 114.38 117.75 1j3g h ARG 80 Ca -0.50 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.14 1j3g h ARG 80 Cb 1.25 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 31.04 1j3g h ARG 80 CO 0.63 0.00 0.43 -3.47 -0.00 0.00 0.00 179.97 177.56 1j3g n ASP 81 N -3.60 4.92 -3.27 0.08 2.03 -1.26 -3.59 116.55 111.85 1j3g n ASP 81 Ca 0.06 -3.04 -0.17 0.00 0.52 0.00 0.00 54.79 52.16 1j3g n ASP 81 Cb 0.57 -0.85 0.08 0.00 -0.72 0.00 0.00 41.12 40.20 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 -0.18 -0.33 3.43 0.27 0.00 -0.55 -5.00 105.19 102.84 1j3g n GLY 82 Ca 0.35 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.43 1.55 -0.26 1.61 2.02 -1.19 -4.81 118.70 112.19 1j3g s GLU 83 Ca 0.10 -1.60 -0.01 0.00 0.02 0.00 0.00 54.97 53.48 1j3g s GLU 83 Cb -0.04 -1.77 0.04 0.00 0.10 0.00 0.00 34.13 32.45 1j3g s GLU 83 CO 0.68 0.36 -0.06 0.42 0.02 0.00 0.00 175.26 176.68 1j3g s ILE 84 N -1.99 2.75 -0.10 -1.63 1.01 -1.26 -0.33 121.20 119.64 1j3g s ILE 84 Ca 0.23 -1.19 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 1j3g s ILE 84 Cb -0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1j3g s ILE 84 CO 0.11 0.11 0.05 -0.69 0.00 0.00 0.00 174.94 174.53 1j3g s VAL 85 N 1.27 4.77 -0.20 2.92 1.01 0.09 -0.42 120.40 129.85 1j3g s VAL 85 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1j3g s VAL 85 Cb -0.18 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1j3g s VAL 85 CO -0.04 0.60 -0.09 -1.58 0.00 0.00 0.00 175.10 173.99 1j3g s GLN 86 N -0.86 1.93 -0.06 2.72 2.00 0.07 -0.60 119.66 124.85 1j3g s GLN 86 Ca 0.13 -0.85 0.01 0.00 -2.00 0.00 0.00 55.36 52.65 1j3g s GLN 86 Cb -0.12 -2.41 -0.03 0.00 0.80 0.00 0.00 33.01 31.25 1j3g s GLN 86 CO 0.03 -0.45 -0.06 0.71 -0.50 0.00 0.00 175.29 175.02 1j3g s TYR 87 N 1.41 2.97 -0.25 1.67 1.51 0.16 -0.75 117.35 124.07 1j3g s TYR 87 Ca -0.02 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1j3g s TYR 87 Cb -0.17 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1j3g s TYR 87 CO -0.08 0.36 0.02 0.28 -1.11 0.00 0.00 175.55 175.02 1j3g n VAL 88 N 2.14-10.61 -0.68 0.71 0.31 -1.26 -3.96 118.33 104.98 1j3g n VAL 88 Ca -0.18 1.65 -0.23 0.00 -0.01 0.00 0.00 64.34 65.57 1j3g n VAL 88 Cb 0.53 -6.46 0.20 0.00 -0.91 0.00 0.00 33.84 27.21 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 0.68 -3.17 0.00 5.55 -0.04 -1.26 -4.82 135.00 131.93 1j3g n PRO 89 Ca -0.03 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 1j3g n PRO 89 Cb 0.05 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -4.60 0.00 -3.66 0.54 3.72 -1.26 -4.45 117.46 107.75 1j3g n PHE 90 Ca 0.11 -0.08 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 1j3g n PHE 90 Cb 0.46 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.67 -0.01 0.00 4.37 2.15 -1.26 -5.01 116.67 117.58 1j3g s ASP 91 Ca 0.00 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.80 1j3g s ASP 91 Cb 0.00 1.06 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 1j3g s ASP 91 CO 0.00 -0.23 0.00 1.17 -0.17 0.00 0.00 175.17 175.94 1j3g n LYS 92 N 5.33 0.00 -1.19 4.34 3.00 -1.26 -5.03 118.16 123.36 1j3g n LYS 92 Ca -0.08 0.40 -0.38 0.00 -0.00 0.00 0.00 58.31 58.25 1j3g n LYS 92 Cb 0.50 -1.13 0.02 0.00 0.00 0.00 0.00 35.03 34.42 1j3g n LYS 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j3g n ARG 93 N -0.34 0.03 -3.10 1.64 0.63 -1.26 -4.62 116.66 109.65 1j3g n ARG 93 Ca 0.00 0.02 -0.20 0.00 -0.92 0.00 0.00 57.85 56.75 1j3g n ARG 93 Cb 0.00 -1.08 0.04 0.00 0.45 0.00 0.00 32.46 31.87 1j3g n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3g n ALA 94 N -1.84 0.99 -3.61 5.13 0.00 -1.26 -2.16 120.51 117.76 1j3g n ALA 94 Ca 0.06 -1.94 -0.08 0.00 0.00 0.00 0.00 53.44 51.48 1j3g n ALA 94 Cb 0.50 0.63 -0.09 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.34 -0.83 -0.44 0.00 -0.00 -0.98 -4.77 118.94 109.57 1j3g s TRP 95 Ca 0.45 1.45 0.05 0.00 -0.00 0.00 0.00 56.10 58.05 1j3g s TRP 95 Cb -0.04 0.28 0.30 0.00 -0.00 0.00 0.00 33.47 34.02 1j3g s TRP 95 CO 0.29 -0.53 1.11 -2.39 -0.00 0.00 0.00 176.95 175.43 1j3g n HIS 96 N 5.39 -2.59 0.15 5.86 1.44 -1.26 -3.23 115.22 120.98 1j3g n HIS 96 Ca -0.08 -1.83 0.00 0.00 -2.01 0.00 0.00 57.72 53.81 1j3g n HIS 96 Cb 0.50 1.55 0.00 0.00 0.12 0.00 0.00 29.99 32.15 1j3g n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j3g n ALA 97 N 0.69 0.00 0.00 1.59 0.00 -1.26 -4.95 120.51 116.58 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 -1.38 2.01 2.81 0.00 0.00 -1.26 -4.91 105.19 102.46 1j3g n GLY 98 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 0.15 -0.18 1.61 1.01 -1.26 -4.25 120.40 117.49 1j3g s VAL 99 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 1j3g s VAL 99 Cb 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 36.38 36.23 1j3g s VAL 99 CO 0.00 0.14 0.91 -0.94 0.00 0.00 0.00 175.10 175.22 1j3g s SER 100 N 1.07 -0.48 -0.02 3.32 1.04 -1.26 -4.71 113.70 112.66 1j3g s SER 100 Ca -0.09 0.67 -0.07 0.00 0.48 0.00 0.00 55.95 56.95 1j3g s SER 100 Cb -0.13 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1j3g s SER 100 CO -0.02 -0.35 0.14 -0.94 0.98 0.00 0.00 173.24 173.06 1j3g s SER 101 N -0.67 -0.04 -0.02 7.02 1.04 -1.26 -1.09 113.70 118.67 1j3g s SER 101 Ca -0.02 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 1j3g s SER 101 Cb -0.02 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.38 1j3g s SER 101 CO 0.01 -0.26 0.34 -0.47 0.98 0.00 0.00 173.24 173.85 1j3g s TYR 102 N -0.86 -0.22 -1.38 5.02 5.04 -0.68 -4.40 117.35 119.87 1j3g s TYR 102 Ca -0.09 0.35 -0.11 0.00 -2.44 0.00 0.00 57.07 54.77 1j3g s TYR 102 Cb -0.05 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.39 1j3g s TYR 102 CO 0.01 -0.40 0.37 1.04 -1.34 0.00 0.00 175.55 175.23 1j3g n GLN 103 N 1.30 -1.43 -3.77 4.97 6.02 -1.26 -1.65 117.38 121.56 1j3g n GLN 103 Ca -0.21 0.21 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1j3g n GLN 103 Cb 0.56 -3.64 0.04 0.00 1.02 0.00 0.00 30.24 28.22 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 -2.20 -0.51 2.86 1.08 0.00 -1.26 -4.97 105.19 100.19 1j3g n GLY 104 Ca -0.24 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -6.48 0.19 -0.15 1.61 3.52 -0.66 -5.15 118.95 111.84 1j3g s ARG 105 Ca 0.62 0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.61 1j3g s ARG 105 Cb -0.30 -0.70 -0.03 0.00 -1.56 0.00 0.00 34.95 32.35 1j3g s ARG 105 CO 0.76 -0.52 0.02 -2.00 -0.81 0.00 0.00 175.30 172.75 1j3g s GLU 106 N 2.39 3.62 -0.29 5.12 2.12 -1.26 -1.68 118.70 128.71 1j3g s GLU 106 Ca 0.06 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 54.88 1j3g s GLU 106 Cb -0.14 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1j3g s GLU 106 CO -0.11 0.39 0.16 1.03 -0.54 0.00 0.00 175.26 176.19 1j3g s ARG 107 N -0.00 3.66 0.57 4.30 0.52 -0.25 -4.97 118.95 122.78 1j3g s ARG 107 Ca 0.04 -0.50 0.29 0.00 -0.52 0.00 0.00 55.73 55.04 1j3g s ARG 107 Cb -0.13 -3.58 1.74 0.00 0.52 0.00 0.00 34.95 33.50 1j3g s ARG 107 CO 0.02 -0.28 2.21 0.00 0.02 0.00 0.00 175.30 177.27 1j3g s ASN 109 N -6.14 -0.23 -1.34 0.00 0.01 -1.26 -4.80 114.94 101.19 1j3g s ASN 109 Ca -0.04 -0.37 -0.16 0.00 -0.71 0.00 0.00 52.86 51.57 1j3g s ASN 109 Cb 0.15 0.49 0.08 0.00 0.41 0.00 0.00 41.25 42.37 1j3g s ASN 109 CO 0.55 -0.89 1.86 -0.67 -1.51 0.00 0.00 177.10 176.44 1j3g n ASP 110 N -0.25 4.67 -1.61 -1.22 2.03 -1.26 -4.76 116.55 114.16 1j3g n ASP 110 Ca -0.15 -2.91 -0.01 0.00 0.52 0.00 0.00 54.79 52.25 1j3g n ASP 110 Cb 0.63 -1.70 -0.01 0.00 -0.72 0.00 0.00 41.12 39.33 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 7.30 0.00 -4.98 -0.67 1.16 -1.26 -4.65 117.46 114.36 1j3g n PHE 111 Ca 0.48 -0.88 -0.28 0.00 -1.87 0.00 0.00 57.45 54.90 1j3g n PHE 111 Cb 0.43 -0.54 -0.16 0.00 -1.61 0.00 0.00 39.48 37.60 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 2.01 2.51 -1.10 5.98 0.01 -1.26 -4.26 113.70 117.59 1j3g s SER 112 Ca 0.04 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 1j3g s SER 112 Cb 0.02 -0.82 -0.11 0.00 0.21 0.00 0.00 66.02 65.31 1j3g s SER 112 CO 0.00 0.16 3.09 0.00 0.41 0.00 0.00 173.24 176.90 1j3g n ILE 113 N 3.23 4.01 0.00 1.44 0.00 -1.26 -4.85 119.36 121.93 1j3g n ILE 113 Ca -0.19 -2.46 0.00 0.00 0.00 0.00 0.00 62.75 60.10 1j3g n ILE 113 Cb 0.53 -2.36 0.00 0.00 0.00 0.00 0.00 39.64 37.81 1j3g n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1j3g n GLY 114 N 3.00 1.03 3.22 4.50 0.00 -1.24 -4.75 105.19 110.95 1j3g n GLY 114 Ca 0.66 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 1.18 0.10 -0.05 -0.61 -1.09 -1.26 -4.08 121.20 115.39 1j3g s ILE 115 Ca 0.00 -1.68 -0.04 0.00 -2.23 0.00 0.00 60.65 56.71 1j3g s ILE 115 Cb 0.00 -1.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1j3g s ILE 115 CO 0.00 -0.44 0.13 -0.70 -1.23 0.00 0.00 174.94 172.69 1j3g s GLU 116 N -4.00 0.12 -0.09 2.79 2.12 0.73 -3.27 118.70 117.11 1j3g s GLU 116 Ca 0.20 0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.70 1j3g s GLU 116 Cb 0.06 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 1j3g s GLU 116 CO -0.00 -0.06 0.13 -0.51 -0.54 0.00 0.00 175.26 174.28 1j3g s LEU 117 N 0.38 4.28 0.15 2.70 1.43 -1.24 -1.66 118.68 124.72 1j3g s LEU 117 Ca -0.03 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1j3g s LEU 117 Cb -0.04 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1j3g s LEU 117 CO -0.02 0.37 0.17 -0.70 0.23 0.00 0.00 176.35 176.41 1j3g s GLU 118 N -1.25 3.06 -0.02 1.70 -6.30 -0.40 -1.96 118.70 113.53 1j3g s GLU 118 Ca 0.18 -0.76 -0.22 0.00 -2.50 0.00 0.00 54.97 51.67 1j3g s GLU 118 Cb -0.12 -2.75 0.07 0.00 0.00 0.00 0.00 34.13 31.33 1j3g s GLU 118 CO 0.08 0.51 0.99 0.41 0.02 0.00 0.00 175.26 177.26 1j3g n GLY 119 N -0.31 0.31 3.33 -1.50 0.00 -0.32 -3.23 105.19 103.47 1j3g n GLY 119 Ca -0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.05 -0.84 -1.60 2.61 -4.23 -1.26 -4.21 115.64 104.07 1j3g s THR 120 Ca 0.23 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.63 1j3g s THR 120 Cb -0.01 -0.87 0.11 0.00 1.34 0.00 0.00 72.50 73.08 1j3g s THR 120 CO -0.01 0.00 0.90 -0.67 -0.54 0.00 0.00 174.62 174.30 1j3g n ASP 121 N 5.42 -4.09 -3.47 3.99 2.03 -1.26 -1.42 116.55 117.74 1j3g n ASP 121 Ca -0.08 -0.88 -0.24 0.00 0.52 0.00 0.00 54.79 54.11 1j3g n ASP 121 Cb 0.50 -3.42 0.06 0.00 -0.72 0.00 0.00 41.12 37.53 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 -4.56 -2.53 -1.69 5.18 -2.24 -1.26 -4.99 114.28 102.18 1j3g n THR 122 Ca 0.05 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 1j3g n THR 122 Cb 0.52 -3.64 0.04 0.00 -2.10 0.00 0.00 70.33 65.14 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 -4.66 4.55 -4.44 3.22 7.94 -0.51 -4.76 117.00 118.34 1j3g n LEU 123 Ca -0.02 0.97 -0.60 0.00 -1.11 0.00 0.00 56.01 55.24 1j3g n LEU 123 Cb 0.57 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.92 1j3g n LEU 123 CO 0.61 -0.97 1.56 0.00 -1.11 0.00 0.00 177.39 177.48 1j3g n ALA 124 N -0.99 -0.07 1.40 1.96 0.00 -1.26 -4.85 120.51 116.71 1j3g n ALA 124 Ca 0.10 0.25 0.15 0.00 0.00 0.00 0.00 53.44 53.94 1j3g n ALA 124 Cb 0.44 -2.12 0.72 0.00 0.00 0.00 0.00 19.45 18.48 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 6.80 0.00 -3.18 0.00 4.01 -1.26 -4.54 117.16 118.99 1j3g n TYR 125 Ca 0.44 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.99 1j3g n TYR 125 Cb 0.01 -0.27 0.02 0.00 -0.31 0.00 0.00 39.34 38.79 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 -1.24 -7.90 -0.11 -0.72 -2.24 -1.24 -4.39 114.28 96.45 1j3g n THR 126 Ca 0.14 0.40 0.09 0.00 -2.27 0.00 0.00 64.05 62.41 1j3g n THR 126 Cb 0.25 -5.61 0.14 0.00 -2.10 0.00 0.00 70.33 63.01 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 -0.67 0.02 -0.44 3.42 9.92 -1.26 -0.42 116.55 127.12 1j3g n ASP 127 Ca -0.01 0.24 0.37 0.00 -0.53 0.00 0.00 54.79 54.86 1j3g n ASP 127 Cb 0.56 -0.12 0.65 0.00 -0.64 0.00 0.00 41.12 41.58 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 0.26 2.72 -0.59 2.24 0.00 -1.96 0.45 119.26 122.38 1j3g h ALA 128 Ca 0.18 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.33 1j3g h ALA 128 Cb 0.63 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1j3g h ALA 128 CO -0.05 -1.37 -0.15 1.96 0.00 0.00 0.00 179.25 179.63 1j3g h GLN 129 N 0.07 -0.00 -0.27 0.00 4.20 -0.94 -1.60 115.11 116.56 1j3g h GLN 129 Ca 0.83 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.56 1j3g h GLN 129 Cb 2.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 30.36 1j3g h GLN 129 CO -0.45 -0.00 0.14 1.88 -0.67 0.00 0.00 178.83 179.73 1j3g h TYR 130 N -0.00 0.26 0.20 2.96 0.05 -1.15 0.11 116.97 119.39 1j3g h TYR 130 Ca 0.28 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.06 1j3g h TYR 130 Cb 0.43 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1j3g h TYR 130 CO -0.49 0.15 -0.10 1.96 -1.05 0.00 0.00 178.16 178.63 1j3g h GLN 131 N 0.29 -0.26 -0.13 4.88 4.20 -1.45 -1.08 115.11 121.56 1j3g h GLN 131 Ca 0.11 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1j3g h GLN 131 Cb 0.03 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1j3g h GLN 131 CO -0.07 -0.17 -0.01 1.96 -0.67 0.00 0.00 178.83 179.87 1j3g h GLN 132 N -0.27 0.23 -0.87 1.46 4.20 -1.17 -2.50 115.11 116.19 1j3g h GLN 132 Ca -0.03 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 58.69 1j3g h GLN 132 Cb 0.21 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.90 1j3g h GLN 132 CO 0.04 0.48 0.52 1.25 -0.67 0.00 0.00 178.83 180.45 1j3g h LEU 133 N -0.05 0.77 -0.58 1.46 5.85 -0.76 -1.85 115.31 120.16 1j3g h LEU 133 Ca 0.04 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1j3g h LEU 133 Cb 0.38 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1j3g h LEU 133 CO 0.01 0.46 0.33 0.00 -0.34 0.00 0.00 178.44 178.89 1j3g h ALA 134 N 1.45 0.74 -0.06 1.25 0.00 -0.99 0.26 119.26 121.91 1j3g h ALA 134 Ca 0.41 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1j3g h ALA 134 Cb 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1j3g h ALA 134 CO -0.22 0.24 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 1j3g h ALA 135 N 1.16 -0.28 -0.17 0.00 0.00 -0.92 0.47 119.26 119.52 1j3g h ALA 135 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1j3g h ALA 135 Cb 0.02 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j3g h ALA 135 CO -0.04 -0.73 0.11 0.28 0.00 0.00 0.00 179.25 178.87 1j3g h VAL 136 N -0.35 1.07 -0.26 0.00 2.07 -1.06 -1.32 116.25 116.40 1j3g h VAL 136 Ca 0.08 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1j3g h VAL 136 Cb 0.46 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1j3g h VAL 136 CO -0.26 0.06 -0.01 0.74 0.02 0.00 0.00 177.57 178.13 1j3g h THR 137 N 0.21 0.81 -0.77 2.57 2.02 -0.09 0.18 112.91 117.84 1j3g h THR 137 Ca 0.06 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1j3g h THR 137 Cb 0.01 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1j3g h THR 137 CO -0.01 0.01 0.37 0.78 0.37 0.00 0.00 175.52 177.04 1j3g h ASN 138 N 0.07 1.00 0.17 4.18 2.35 -0.81 -0.18 115.58 122.36 1j3g h ASN 138 Ca 0.12 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1j3g h ASN 138 Cb 0.16 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1j3g h ASN 138 CO -0.21 0.86 -0.08 0.00 -1.65 0.00 0.00 177.43 176.34 1j3g h ALA 139 N 1.19 -0.23 -0.92 -0.83 0.00 -0.21 -1.52 119.26 116.75 1j3g h ALA 139 Ca 0.26 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1j3g h ALA 139 Cb 0.12 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1j3g h ALA 139 CO -0.03 -0.61 0.57 -0.07 0.00 0.00 0.00 179.25 179.10 1j3g h LEU 140 N -0.27 0.86 -0.69 0.00 -0.00 -0.48 -0.93 115.31 113.81 1j3g h LEU 140 Ca -0.02 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1j3g h LEU 140 Cb 0.21 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.69 1j3g h LEU 140 CO 0.04 0.52 0.45 0.40 -0.00 0.00 0.00 178.44 179.85 1j3g h ILE 141 N 0.98 1.16 0.00 1.22 2.04 -0.80 0.23 117.51 122.34 1j3g h ILE 141 Ca 0.42 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1j3g h ILE 141 Cb 0.29 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1j3g h ILE 141 CO -0.21 0.17 -0.06 0.74 0.00 0.00 0.00 178.15 178.79 1j3g h THR 142 N 0.91 0.24 0.00 -0.27 2.02 -0.15 -2.53 112.91 113.13 1j3g h THR 142 Ca 0.26 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1j3g h THR 142 Cb -0.08 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1j3g h THR 142 CO -0.07 0.06 -0.61 0.03 0.37 0.00 0.00 175.52 175.30 1j3g h ARG 143 N 0.00 0.00 -4.35 6.66 2.47 -0.13 -3.46 114.38 115.58 1j3g h ARG 143 Ca -0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.12 1j3g h ARG 143 Cb 0.32 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.27 1j3g h ARG 143 CO 0.01 0.39 -0.79 0.71 0.56 0.00 0.00 179.97 180.84 1j3g s TYR 144 N -2.17 2.19 -0.47 3.04 2.02 0.71 -5.10 117.35 117.57 1j3g s TYR 144 Ca -0.17 -1.52 -0.22 0.00 -0.37 0.00 0.00 57.07 54.79 1j3g s TYR 144 Cb 0.02 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 1j3g s TYR 144 CO 0.34 -0.72 0.75 -1.25 -1.57 0.00 0.00 175.55 173.09 1j3g s PRO 145 N 1.47 3.31 0.02 -1.71 0.04 -0.96 -4.11 135.00 133.05 1j3g s PRO 145 Ca -0.03 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.68 1j3g s PRO 145 Cb -0.17 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1j3g s PRO 145 CO -0.07 -1.17 0.00 0.00 0.04 0.00 0.00 177.00 175.80 1j3g n ALA 146 N 6.63 0.99 -0.35 8.56 0.00 -1.26 -4.94 120.51 130.13 1j3g n ALA 146 Ca -0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.74 1j3g n ALA 146 Cb 0.47 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.56 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 0.40 -0.63 0.00 2.04 -1.77 -0.35 117.51 117.21 1j3g h ILE 147 Ca 0.00 -0.06 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1j3g h ILE 147 Cb 0.00 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1j3g h ILE 147 CO 0.00 0.03 0.63 0.00 0.00 0.00 0.00 178.15 178.82 1j3g h ALA 148 N 1.51 2.41 0.00 1.87 0.00 -1.92 -0.90 119.26 122.24 1j3g h ALA 148 Ca 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1j3g h ALA 148 Cb 2.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1j3g h ALA 148 CO -0.19 -0.96 -0.20 0.09 0.00 0.00 0.00 179.25 178.00 1j3g n ASN 149 N -3.70 1.15 -3.46 0.00 4.13 -0.15 -4.48 115.26 108.74 1j3g n ASN 149 Ca 0.13 -2.33 -0.29 0.00 1.68 0.00 0.00 54.58 53.77 1j3g n ASN 149 Cb 0.86 -0.25 -0.12 0.00 -1.54 0.00 0.00 39.78 38.74 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 -1.65 2.70 -0.18 6.41 -0.87 -0.34 -5.07 114.94 115.94 1j3g s ASN 150 Ca 0.13 -2.38 -0.01 0.00 -1.57 0.00 0.00 52.86 49.03 1j3g s ASN 150 Cb 0.11 -0.43 0.05 0.00 -0.02 0.00 0.00 41.25 40.96 1j3g s ASN 150 CO 0.01 -0.28 -0.03 -0.04 -2.57 0.00 0.00 177.10 174.19 1j3g s MET 151 N 0.84 1.28 0.00 -0.60 -1.94 -1.26 -2.34 119.30 115.28 1j3g s MET 151 Ca 0.21 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 1j3g s MET 151 Cb -0.18 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1j3g s MET 151 CO -0.03 -0.48 0.00 -2.37 -0.01 0.00 0.00 175.02 172.12 1j3g n THR 152 N 4.89 0.00 0.00 2.05 5.66 -0.63 -5.01 114.28 121.23 1j3g n THR 152 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1j3g n THR 152 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1j3g n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j3g n GLY 153 N 0.00 3.56 0.01 1.09 0.00 -1.26 -0.21 105.19 108.39 1j3g n GLY 153 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 0.67 1.61 -0.00 -0.46 -4.53 115.22 112.51 1j3g n HIS 154 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 1j3g n HIS 154 Cb 0.00 -0.20 -0.10 0.00 -0.00 0.00 0.00 29.99 29.69 1j3g n HIS 154 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1j3g n ASN 156 N -1.51 6.23 0.04 0.00 5.15 -1.13 -4.28 115.26 119.75 1j3g n ASN 156 Ca 0.02 -2.98 0.11 0.00 -0.60 0.00 0.00 54.58 51.13 1j3g n ASN 156 Cb 0.30 -1.05 0.45 0.00 -0.53 0.00 0.00 39.78 38.95 1j3g n ASN 156 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1j3g n ILE 157 N 0.44 0.62 0.10 -1.44 -0.00 -1.26 -4.51 119.36 113.30 1j3g n ILE 157 Ca 0.27 0.09 0.00 0.00 -0.00 0.00 0.00 62.75 63.11 1j3g n ILE 157 Cb 0.59 -0.82 0.00 0.00 -0.00 0.00 0.00 39.64 39.40 1j3g n ILE 157 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1j3g n ALA 158 N -1.60 0.06 -2.58 -1.28 0.00 -1.26 -4.72 120.51 109.13 1j3g n ALA 158 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1j3g n ALA 158 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 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 3.41 0.22 0.00 0.04 -1.26 -4.93 135.00 130.48 1j3g s PRO 159 Ca 0.00 -0.09 0.17 0.00 0.04 0.00 0.00 61.00 61.12 1j3g s PRO 159 Cb 0.00 -3.97 0.85 0.00 0.04 0.00 0.00 34.50 31.43 1j3g s PRO 159 CO 0.00 -1.24 1.53 -1.91 0.04 0.00 0.00 177.00 175.42 1j3g n GLU 160 N 7.01 0.11 0.21 4.56 2.13 -1.26 -1.48 120.64 131.92 1j3g n GLU 160 Ca 0.03 0.53 0.08 0.00 0.66 0.00 0.00 57.16 58.45 1j3g n GLU 160 Cb 0.48 -1.81 0.44 0.00 0.27 0.00 0.00 31.44 30.82 1j3g n GLU 160 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1j3g h ARG 161 N 0.00 0.00 -6.36 5.31 9.65 -1.95 -3.43 114.38 117.60 1j3g h ARG 161 Ca 0.00 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.19 1j3g h ARG 161 Cb 0.11 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 28.47 1j3g h ARG 161 CO 0.00 0.29 -0.76 0.15 2.80 0.00 0.00 179.97 182.45 1j3g s LYS 162 N -3.79 2.44 0.00 0.20 1.02 -0.55 -4.81 119.74 114.24 1j3g s LYS 162 Ca -0.01 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1j3g s LYS 162 Cb 0.12 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1j3g s LYS 162 CO 0.66 0.61 0.00 2.41 -0.92 0.00 0.00 175.35 178.11 1j3g n THR 163 N 2.05 0.00 -3.91 2.17 -1.04 -1.26 -2.86 114.28 109.42 1j3g n THR 163 Ca -0.17 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.88 1j3g n THR 163 Cb 0.52 0.48 0.01 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.00 -0.00 -1.24 8.00 2.15 -1.26 -1.02 116.67 123.30 1j3g s ASP 164 Ca 0.00 -0.12 -0.19 0.00 0.43 0.00 0.00 52.55 52.67 1j3g s ASP 164 Cb 0.00 0.10 -0.00 0.00 -0.30 0.00 0.00 42.92 42.71 1j3g s ASP 164 CO 0.00 -0.19 1.88 -0.81 -0.17 0.00 0.00 175.17 175.88 1j3g n PRO 165 N -0.84 2.52 0.00 4.34 -0.04 -1.26 -3.54 135.00 136.19 1j3g n PRO 165 Ca 0.02 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.65 1j3g n PRO 165 Cb 0.60 -3.49 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 1j3g n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3g n GLY 166 N 5.27 0.30 0.00 0.55 0.00 -1.26 -5.02 105.19 105.03 1j3g n GLY 166 Ca 0.48 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.86 1.61 -0.04 -1.23 -4.33 135.00 127.15 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 -0.17 0.03 0.00 -0.04 0.00 0.00 33.50 33.32 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 -0.04 -3.75 -1.53 3.54 2.88 -1.26 -4.80 113.62 108.66 1j3g n SER 168 Ca 0.00 -0.79 0.06 0.00 -1.33 0.00 0.00 58.87 56.80 1j3g n SER 168 Cb 0.00 -3.92 0.31 0.00 -0.75 0.00 0.00 64.21 59.84 1j3g n SER 168 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1j3g n PHE 169 N -4.58 1.54 -3.94 0.66 7.35 -1.26 -4.94 117.46 112.29 1j3g n PHE 169 Ca -0.06 -0.54 -0.34 0.00 -0.76 0.00 0.00 57.45 55.75 1j3g n PHE 169 Cb 0.57 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 40.02 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 0.53 -2.94 -0.33 -2.13 -0.08 -1.26 -4.68 116.55 105.66 1j3g n ASP 170 Ca 0.21 -1.13 0.22 0.00 -1.51 0.00 0.00 54.79 52.58 1j3g n ASP 170 Cb 0.94 -2.59 0.45 0.00 2.34 0.00 0.00 41.12 42.25 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 -2.08 0.88 0.72 -0.67 4.06 -1.97 0.75 115.95 117.63 1j3g h TRP 171 Ca -0.67 0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.28 1j3g h TRP 171 Cb 1.38 -0.23 0.01 0.00 -1.00 0.00 0.00 29.16 29.32 1j3g h TRP 171 CO 0.41 -0.16 -0.34 0.00 -3.56 0.00 0.00 178.44 174.79 1j3g h ALA 172 N 1.83 -1.03 -0.45 1.49 0.00 -1.99 -1.61 119.26 117.51 1j3g h ALA 172 Ca 0.71 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.34 1j3g h ALA 172 Cb 1.57 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1j3g h ALA 172 CO -0.60 -0.96 0.02 0.00 0.00 0.00 0.00 179.25 177.72 1j3g h ARG 173 N -1.18 0.71 0.75 0.00 3.08 -1.70 -1.74 114.38 114.31 1j3g h ARG 173 Ca -0.10 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1j3g h ARG 173 Cb 0.74 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1j3g h ARG 173 CO 0.16 0.71 -0.36 0.35 -1.07 0.00 0.00 179.97 179.76 1j3g h PHE 174 N 0.68 -0.93 -0.20 3.04 3.57 -0.92 -1.23 116.94 120.94 1j3g h PHE 174 Ca 0.14 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1j3g h PHE 174 Cb 0.38 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1j3g h PHE 174 CO 0.02 -0.57 -0.11 -0.09 -2.23 0.00 0.00 178.31 175.33 1j3g h ARG 175 N -1.03 0.31 -0.82 1.11 1.12 -1.25 -1.70 114.38 112.12 1j3g h ARG 175 Ca -0.10 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.67 1j3g h ARG 175 Cb 0.78 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.66 1j3g h ARG 175 CO 0.17 0.43 0.43 0.00 -3.11 0.00 0.00 179.97 177.89 1j3g h ALA 176 N 1.60 1.05 -0.11 2.80 0.00 -1.09 -3.18 119.26 120.33 1j3g h ALA 176 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1j3g h ALA 176 Cb 0.38 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1j3g h ALA 176 CO 0.02 0.59 -0.18 -0.07 0.00 0.00 0.00 179.25 179.61 1j3g h LEU 177 N 1.15 0.35-10.27 0.00 3.38 -0.65 -3.46 115.31 105.81 1j3g h LEU 177 Ca 0.29 -0.53 -0.47 0.00 0.09 0.00 0.00 57.88 57.26 1j3g h LEU 177 Cb 0.07 -0.10 0.18 0.00 0.09 0.00 0.00 40.66 40.89 1j3g h LEU 177 CO -0.04 0.81 0.16 -0.69 0.09 0.00 0.00 178.44 178.77 1j3g s VAL 178 N -4.10 2.26 -0.39 1.22 1.01 -0.69 -4.91 120.40 114.79 1j3g s VAL 178 Ca -0.14 0.08 -0.43 0.00 0.00 0.00 0.00 61.98 61.49 1j3g s VAL 178 Cb 0.04 -2.38 -0.19 0.00 0.00 0.00 0.00 36.38 33.85 1j3g s VAL 178 CO 0.75 -0.11 1.42 0.41 0.00 0.00 0.00 175.10 177.58 1j3g n THR 179 N -4.32 0.00 -0.73 3.92 -1.04 -1.26 -4.79 114.28 106.06 1j3g n THR 179 Ca 0.06 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.01 1j3g n THR 179 Cb 0.55 -0.39 -0.08 0.00 -1.82 0.00 0.00 70.33 68.58 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 3.38 1.45 -3.01 -2.82 -0.04 -1.26 -4.60 135.00 128.10 1j3g n PRO 180 Ca 0.27 -0.50 -0.21 0.00 -0.04 0.00 0.00 63.50 63.03 1j3g n PRO 180 Cb -0.04 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 31.91 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 2.04 -4.66 -3.07 3.54 2.88 -1.26 -4.91 113.62 108.17 1j3g n SER 181 Ca 0.21 -0.22 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1j3g n SER 181 Cb 0.69 -3.84 -0.00 0.00 -0.75 0.00 0.00 64.21 60.31 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 -2.54 -0.99 -0.29 -3.46 0.15 -1.26 -5.08 113.70 100.23 1j3g s SER 182 Ca 0.26 -0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 1j3g s SER 182 Cb -0.13 1.44 0.14 0.00 -1.71 0.00 0.00 66.02 65.76 1j3g s SER 182 CO 0.33 -0.15 0.90 -2.28 1.20 0.00 0.00 173.24 173.23 1j3g s HIS 183 N 2.39 -0.79 0.17 3.44 5.04 -1.26 -5.01 115.29 119.27 1j3g s HIS 183 Ca 0.17 1.46 -0.10 0.00 -1.54 0.00 0.00 55.06 55.04 1j3g s HIS 183 Cb -0.03 0.47 -0.00 0.00 0.04 0.00 0.00 32.58 33.06 1j3g s HIS 183 CO -0.17 -0.39 0.33 0.21 -2.34 0.00 0.00 174.74 172.38 1j3g s LYS 184 N 1.98 1.21 0.08 2.88 2.20 -1.26 -5.06 119.74 121.77 1j3g s LYS 184 Ca -0.07 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 1j3g s LYS 184 Cb -0.06 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1j3g s LYS 184 CO -0.17 -0.46 0.10 -0.85 -0.36 0.00 0.00 175.35 173.61 1j3g n GLU 185 N -0.24 0.14 0.00 4.03 0.28 -1.26 -5.07 120.64 118.52 1j3g n GLU 185 Ca -0.08 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.26 1j3g n GLU 185 Cb 0.63 0.61 0.00 0.00 1.43 0.00 0.00 31.44 34.11 1j3g n GLU 185 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1j3g n MET 186 N -0.13 0.00 0.00 3.44 0.00 -1.26 -5.23 117.12 113.93 1j3g n MET 186 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1j3g n MET 186 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.35 1j3g n MET 186 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38