#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj n ASP 2 N 0.00 -6.97 -4.67 1.67 -0.08 -1.26 -4.86 116.55 100.38 1jbj n ASP 2 Ca 0.00 -0.53 -0.43 0.00 -1.51 0.00 0.00 54.79 52.32 1jbj n ASP 2 Cb 0.00 -5.20 -0.03 0.00 2.34 0.00 0.00 41.12 38.22 1jbj n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj n ALA 3 N -2.81 1.56 -2.77 -1.67 0.00 -1.26 -4.97 120.51 108.59 1jbj n ALA 3 Ca -0.05 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1jbj n ALA 3 Cb 0.58 -2.63 -0.08 0.00 0.00 0.00 0.00 19.45 17.33 1jbj n ALA 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jbj s GLU 4 N 3.99 0.74 -0.51 0.00 2.12 -1.26 -5.00 118.70 118.78 1jbj s GLU 4 Ca 0.88 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 55.40 1jbj s GLU 4 Cb -0.50 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.21 1jbj s GLU 4 CO 0.43 -0.22 0.58 -1.71 -0.54 0.00 0.00 175.26 173.80 1jbj n ASN 5 N 0.46 -7.35 -4.27 -1.70 2.85 -1.26 -5.04 115.26 98.94 1jbj n ASN 5 Ca -0.18 0.26 -0.18 0.00 -0.11 0.00 0.00 54.58 54.37 1jbj n ASN 5 Cb 0.60 -4.96 0.09 0.00 1.24 0.00 0.00 39.78 36.74 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1jbj n ILE 6 N -0.89 0.00 -3.95 -1.44 2.08 -1.26 -5.06 119.36 108.83 1jbj n ILE 6 Ca 0.06 -1.44 -0.27 0.00 0.56 0.00 0.00 62.75 61.67 1jbj n ILE 6 Cb 0.45 -0.83 -0.03 0.00 -0.75 0.00 0.00 39.64 38.47 1jbj n ILE 6 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1jbj s GLU 7 N -4.52 3.39 0.06 0.38 2.12 -1.26 -4.41 118.70 114.47 1jbj s GLU 7 Ca 0.54 -0.60 -0.34 0.00 0.36 0.00 0.00 54.97 54.94 1jbj s GLU 7 Cb -0.03 -2.95 -0.13 0.00 0.26 0.00 0.00 34.13 31.28 1jbj s GLU 7 CO 0.35 0.53 1.72 0.66 -0.54 0.00 0.00 175.26 177.99 1jbj n TYR 8 N -0.42 2.33 -4.51 5.30 4.01 -1.26 -4.80 117.16 117.82 1jbj n TYR 8 Ca -0.07 0.12 -0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1jbj n TYR 8 Cb 0.54 -2.61 -0.16 0.00 -0.31 0.00 0.00 39.34 36.80 1jbj n TYR 8 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1jbj s LYS 9 N 2.30 3.08 -0.02 -0.72 1.02 -1.04 -4.90 119.74 119.46 1jbj s LYS 9 Ca 0.84 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 56.06 1jbj s LYS 9 Cb -0.66 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1jbj s LYS 9 CO 0.43 -0.05 -0.13 0.08 -0.92 0.00 0.00 175.35 174.76 1jbj s VAL 10 N 0.93 3.15 -0.23 3.17 1.01 -1.26 0.71 120.40 127.87 1jbj s VAL 10 Ca -0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 1jbj s VAL 10 Cb -0.15 -2.28 0.11 0.00 0.00 0.00 0.00 36.38 34.07 1jbj s VAL 10 CO -0.04 0.51 0.45 -0.44 0.00 0.00 0.00 175.10 175.58 1jbj s SER 11 N -0.99 -0.31 -0.20 3.32 0.01 -0.67 -4.95 113.70 109.91 1jbj s SER 11 Ca 0.13 0.85 -0.26 0.00 1.31 0.00 0.00 55.95 57.99 1jbj s SER 11 Cb -0.11 1.45 -0.01 0.00 0.21 0.00 0.00 66.02 67.57 1jbj s SER 11 CO 0.03 -0.25 0.86 -0.63 0.41 0.00 0.00 173.24 173.66 1jbj s ILE 12 N 2.65 4.84 -0.22 1.44 1.09 -1.26 -1.07 121.20 128.66 1jbj s ILE 12 Ca 0.03 1.68 0.01 0.00 -1.10 0.00 0.00 60.65 61.27 1jbj s ILE 12 Cb -0.13 -4.16 0.05 0.00 -1.06 0.00 0.00 42.46 37.16 1jbj s ILE 12 CO -0.15 -0.03 -0.09 -0.44 -0.10 0.00 0.00 174.94 174.13 1jbj s SER 13 N 1.22 3.76 -1.10 3.58 0.01 0.64 -4.84 113.70 116.97 1jbj s SER 13 Ca 0.38 -1.08 -0.18 0.00 1.31 0.00 0.00 55.95 56.39 1jbj s SER 13 Cb -0.16 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.77 1jbj s SER 13 CO 0.10 -0.18 0.80 0.61 0.41 0.00 0.00 173.24 174.99 1jbj n GLY 14 N 4.63 -1.04 2.91 3.44 0.00 -1.26 -1.03 105.19 112.83 1jbj n GLY 14 Ca -0.14 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1jbj n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jbj n THR 15 N -3.90 0.00 -4.88 2.61 -1.04 -1.26 -4.87 114.28 100.94 1jbj n THR 15 Ca -0.09 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.60 1jbj n THR 15 Cb 0.59 -0.81 -0.17 0.00 -1.82 0.00 0.00 70.33 68.12 1jbj n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jbj s SER 16 N -2.01 3.10 0.31 8.00 0.01 -0.20 -0.07 113.70 122.84 1jbj s SER 16 Ca 0.00 -0.59 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 1jbj s SER 16 Cb 0.00 -1.43 -0.07 0.00 0.21 0.00 0.00 66.02 64.73 1jbj s SER 16 CO 0.00 0.11 0.66 -0.69 0.41 0.00 0.00 173.24 173.73 1jbj s VAL 17 N 0.64 4.83 -0.26 3.43 1.01 0.34 0.24 120.40 130.62 1jbj s VAL 17 Ca -0.12 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1jbj s VAL 17 Cb -0.16 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1jbj s VAL 17 CO 0.02 -0.24 0.11 -0.70 0.00 0.00 0.00 175.10 174.29 1jbj s GLU 18 N -3.20 0.23 0.22 2.72 2.12 -0.23 0.14 118.70 120.69 1jbj s GLU 18 Ca 0.50 -0.47 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 1jbj s GLU 18 Cb -0.11 -1.43 -0.07 0.00 0.26 0.00 0.00 34.13 32.78 1jbj s GLU 18 CO 0.23 -0.92 0.53 -0.51 -0.54 0.00 0.00 175.26 174.05 1jbj s LEU 19 N 2.06 4.19 -0.19 2.70 1.43 0.35 -1.67 118.68 127.54 1jbj s LEU 19 Ca 0.07 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1jbj s LEU 19 Cb -0.16 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1jbj s LEU 19 CO -0.28 -0.05 -0.19 -0.89 0.23 0.00 0.00 176.35 175.17 1jbj s THR 20 N -1.78 2.06 0.09 5.49 2.01 0.22 -0.46 115.64 123.27 1jbj s THR 20 Ca 0.46 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.31 1jbj s THR 20 Cb -0.11 -1.90 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 1jbj s THR 20 CO 0.21 0.47 0.47 0.00 -0.69 0.00 0.00 174.62 175.08 1jbj n PRO 22 N 1.03 0.69 -4.11 0.00 -0.02 -1.26 -4.62 135.00 126.71 1jbj n PRO 22 Ca -0.08 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.07 1jbj n PRO 22 Cb 0.52 -1.09 -0.16 0.00 -0.02 0.00 0.00 33.50 32.76 1jbj n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jbj s LEU 23 N -1.17 2.25 1.05 2.45 1.43 -1.26 -4.31 118.68 119.12 1jbj s LEU 23 Ca 0.06 -0.73 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 1jbj s LEU 23 Cb 0.03 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1jbj s LEU 23 CO 0.04 -0.03 -0.71 -0.90 0.23 0.00 0.00 176.35 174.98 1jbj n ASP 24 N 4.61 -2.96 -4.43 2.29 5.75 -1.26 -4.46 116.55 116.09 1jbj n ASP 24 Ca -0.20 -0.01 -0.44 0.00 -0.01 0.00 0.00 54.79 54.13 1jbj n ASP 24 Cb 0.49 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1jbj s SER 25 N -1.42 6.30 0.54 -1.12 1.04 -1.26 -4.60 113.70 113.18 1jbj s SER 25 Ca 0.46 -1.41 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1jbj s SER 25 Cb -0.03 -2.38 0.02 0.00 0.10 0.00 0.00 66.02 63.73 1jbj s SER 25 CO 0.68 -1.25 0.79 -1.81 0.98 0.00 0.00 173.24 172.63 1jbj s ASP 26 N 3.62 5.49 0.00 7.02 1.11 -1.26 -4.83 116.67 127.83 1jbj s ASP 26 Ca 0.22 0.30 0.00 0.00 0.18 0.00 0.00 52.55 53.25 1jbj s ASP 26 Cb -0.16 -1.31 0.00 0.00 1.07 0.00 0.00 42.92 42.53 1jbj s ASP 26 CO 0.04 -1.02 0.93 -0.62 1.18 0.00 0.00 175.17 175.68 1jbj n GLU 27 N -2.36 0.82 -0.51 8.23 4.71 -1.26 -2.27 120.64 128.00 1jbj n GLU 27 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.19 1jbj n GLU 27 Cb 0.59 -1.09 -0.01 0.00 -1.01 0.00 0.00 31.44 29.91 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1jbj n ASN 28 N 0.72 -0.18 -4.77 1.62 3.02 -1.26 -5.09 115.26 109.32 1jbj n ASN 28 Ca 0.00 -0.97 -0.39 0.00 -0.03 0.00 0.00 54.58 53.19 1jbj n ASN 28 Cb 0.41 0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 1jbj n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jbj s LEU 29 N 0.00 4.51 0.08 3.41 2.96 -0.96 -4.18 118.68 124.49 1jbj s LEU 29 Ca 0.00 1.79 -0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1jbj s LEU 29 Cb 0.00 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1jbj s LEU 29 CO 0.00 0.09 0.03 -0.75 -1.32 0.00 0.00 176.35 174.40 1jbj s LYS 30 N -1.52 0.73 0.24 1.98 2.20 -1.01 -3.51 119.74 118.86 1jbj s LYS 30 Ca 0.43 -1.22 0.09 0.00 -0.36 0.00 0.00 55.97 54.91 1jbj s LYS 30 Cb -0.22 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.29 1jbj s LYS 30 CO 0.27 -0.18 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.34 1jbj s TRP 31 N -3.94 1.96 -0.24 4.03 0.52 -1.17 -2.43 118.94 117.68 1jbj s TRP 31 Ca 0.11 -0.48 -0.18 0.00 0.02 0.00 0.00 56.10 55.56 1jbj s TRP 31 Cb 0.07 -0.90 0.06 0.00 -1.15 0.00 0.00 33.47 31.56 1jbj s TRP 31 CO -0.07 0.50 0.61 -2.00 0.02 0.00 0.00 176.95 176.00 1jbj s GLU 32 N -3.60 0.67 0.05 4.98 2.12 -0.45 -1.18 118.70 121.30 1jbj s GLU 32 Ca 0.26 0.94 0.04 0.00 0.36 0.00 0.00 54.97 56.57 1jbj s GLU 32 Cb -0.02 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1jbj s GLU 32 CO 0.10 -0.11 -0.11 -1.59 -0.54 0.00 0.00 175.26 173.01 1jbj s LYS 33 N 0.82 0.72 0.59 4.30 0.00 -0.53 0.10 119.74 125.75 1jbj s LYS 33 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.14 1jbj s LYS 33 Cb -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 37.83 37.13 1jbj s LYS 33 CO -0.06 0.15 0.00 0.09 0.00 0.00 0.00 175.35 175.52 1jbj n ASN 34 N 1.61 0.00 -1.05 0.03 5.03 -0.83 0.08 115.26 120.13 1jbj n ASN 34 Ca -0.20 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.26 1jbj n ASN 34 Cb 0.55 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.31 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jbj n GLY 35 N 0.00 0.78 3.27 7.41 0.00 -1.26 -5.01 105.19 110.38 1jbj n GLY 35 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1jbj n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jbj s GLN 36 N 0.00 1.09 -0.10 1.61 -0.21 0.11 -5.14 119.66 117.02 1jbj s GLN 36 Ca 0.18 -1.21 0.03 0.00 0.02 0.00 0.00 55.36 54.38 1jbj s GLN 36 Cb 0.20 -1.16 -0.01 0.00 1.00 0.00 0.00 33.01 33.04 1jbj s GLN 36 CO -0.09 0.25 -0.21 -1.21 -2.12 0.00 0.00 175.29 171.91 1jbj s GLU 37 N -2.30 3.05 -0.42 2.91 8.01 -1.26 -1.45 118.70 127.24 1jbj s GLU 37 Ca 0.08 -0.83 -0.08 0.00 0.01 0.00 0.00 54.97 54.15 1jbj s GLU 37 Cb -0.08 -2.37 0.08 0.00 -4.31 0.00 0.00 34.13 27.45 1jbj s GLU 37 CO 0.04 0.23 0.25 -0.51 0.01 0.00 0.00 175.26 175.28 1jbj s LEU 38 N 0.23 5.14 0.95 1.80 1.43 -0.32 -5.00 118.68 122.91 1jbj s LEU 38 Ca -0.14 -1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 51.25 1jbj s LEU 38 Cb -0.17 -1.97 0.19 0.00 0.03 0.00 0.00 46.19 44.28 1jbj s LEU 38 CO 0.07 -0.53 1.31 -2.16 0.23 0.00 0.00 176.35 175.27 1jbj s PRO 39 N 1.39 0.72 -1.57 1.29 0.04 -1.26 -3.05 135.00 132.56 1jbj s PRO 39 Ca 0.03 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.67 1jbj s PRO 39 Cb -0.23 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1jbj s PRO 39 CO 0.01 -2.37 0.37 1.04 0.04 0.00 0.00 177.00 176.09 1jbj n GLN 40 N -3.74 -3.55 -3.33 4.56 3.00 -1.26 -4.93 117.38 108.12 1jbj n GLN 40 Ca 0.15 0.91 -0.41 0.00 -0.01 0.00 0.00 57.00 57.64 1jbj n GLN 40 Cb 0.60 -5.62 -0.02 0.00 0.00 0.00 0.00 30.24 25.20 1jbj n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jbj n LYS 41 N -3.52 3.51 -1.11 -1.09 4.01 -1.23 -4.88 118.16 113.85 1jbj n LYS 41 Ca -0.16 -4.51 -0.21 0.00 -0.51 0.00 0.00 58.31 52.93 1jbj n LYS 41 Cb 0.64 -2.48 0.00 0.00 -0.51 0.00 0.00 35.03 32.68 1jbj n LYS 41 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1jbj n HIS 42 N 2.06 1.58 -3.90 2.13 8.25 -1.25 -3.63 115.22 120.45 1jbj n HIS 42 Ca 0.24 -1.98 -0.11 0.00 -0.26 0.00 0.00 57.72 55.61 1jbj n HIS 42 Cb 0.37 -1.13 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1jbj s ASP 43 N 0.21 0.07 0.13 0.41 2.15 -1.26 -4.68 116.67 113.70 1jbj s ASP 43 Ca 0.42 -0.15 0.06 0.00 0.43 0.00 0.00 52.55 53.31 1jbj s ASP 43 Cb 0.30 0.03 -0.15 0.00 -0.30 0.00 0.00 42.92 42.80 1jbj s ASP 43 CO -0.08 -0.09 1.30 0.07 -0.17 0.00 0.00 175.17 176.20 1jbj h LYS 44 N 5.70 0.05 -4.54 4.34 2.10 -1.81 -3.42 116.57 118.98 1jbj h LYS 44 Ca -0.26 -0.07 -0.71 0.00 -2.00 0.00 0.00 60.65 57.60 1jbj h LYS 44 Cb 1.21 0.03 -0.23 0.00 -0.90 0.00 0.00 32.23 32.34 1jbj h LYS 44 CO 0.48 0.99 -0.47 -3.38 -2.00 0.00 0.00 179.45 175.07 1jbj s HIS 45 N -2.82 3.24 -0.03 0.07 -3.43 -1.26 -0.42 115.29 110.65 1jbj s HIS 45 Ca -0.00 -0.78 -0.23 0.00 -0.80 0.00 0.00 55.06 53.25 1jbj s HIS 45 Cb 0.10 -2.52 -0.04 0.00 -1.43 0.00 0.00 32.58 28.68 1jbj s HIS 45 CO 0.82 -0.62 0.70 -1.17 -2.00 0.00 0.00 174.74 172.47 1jbj s LEU 46 N 1.62 4.36 -0.08 5.38 2.96 0.39 -4.81 118.68 128.49 1jbj s LEU 46 Ca 0.04 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 55.17 1jbj s LEU 46 Cb -0.19 -3.10 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1jbj s LEU 46 CO 0.08 -0.06 0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 1jbj s VAL 47 N 0.46 4.45 -0.45 1.68 1.01 -1.26 0.13 120.40 126.42 1jbj s VAL 47 Ca 0.37 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1jbj s VAL 47 Cb -0.18 -2.89 0.12 0.00 0.00 0.00 0.00 36.38 33.43 1jbj s VAL 47 CO 0.19 0.59 0.18 -0.76 0.00 0.00 0.00 175.10 175.31 1jbj s LEU 48 N -0.94 4.49 -0.18 3.92 1.43 0.38 -4.92 118.68 122.87 1jbj s LEU 48 Ca 0.14 -2.69 -0.29 0.00 -1.03 0.00 0.00 54.13 50.26 1jbj s LEU 48 Cb -0.11 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1jbj s LEU 48 CO 0.03 -0.29 1.08 -1.10 0.23 0.00 0.00 176.35 176.30 1jbj s GLN 49 N 0.16 4.30 -0.31 1.70 -0.21 -1.26 0.13 119.66 124.17 1jbj s GLN 49 Ca 0.15 1.44 -0.00 0.00 0.02 0.00 0.00 55.36 56.97 1jbj s GLN 49 Cb -0.23 -3.64 -0.00 0.00 1.00 0.00 0.00 33.01 30.14 1jbj s GLN 49 CO -0.03 -0.56 0.29 -3.47 -2.12 0.00 0.00 175.29 169.39 1jbj n ASP 50 N 6.01 -4.29 -4.72 5.90 -0.08 0.89 -4.95 116.55 115.31 1jbj n ASP 50 Ca 0.12 -0.05 -0.42 0.00 -1.51 0.00 0.00 54.79 52.93 1jbj n ASP 50 Cb 0.46 -2.70 -0.03 0.00 2.34 0.00 0.00 41.12 41.19 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1jbj s PHE 51 N -3.01 3.26 -0.36 -0.67 5.36 -1.22 -5.00 117.98 116.33 1jbj s PHE 51 Ca 0.02 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1jbj s PHE 51 Cb -0.00 -3.63 0.12 0.00 -0.34 0.00 0.00 43.02 39.17 1jbj s PHE 51 CO 0.30 -2.10 0.17 -1.12 -1.46 0.00 0.00 175.22 171.01 1jbj s SER 52 N 0.77 3.65 0.15 6.13 0.01 -1.26 -3.76 113.70 119.39 1jbj s SER 52 Ca 0.61 -2.04 -0.17 0.00 1.31 0.00 0.00 55.95 55.67 1jbj s SER 52 Cb -0.36 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.10 1jbj s SER 52 CO 0.34 -0.35 1.80 1.05 0.41 0.00 0.00 173.24 176.49 1jbj h GLU 53 N 7.46 0.44 -0.71 12.44 4.11 -1.83 0.90 114.58 137.39 1jbj h GLU 53 Ca -0.06 -0.03 0.11 0.00 0.07 0.00 0.00 59.36 59.45 1jbj h GLU 53 Cb 0.98 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1jbj h GLU 53 CO 0.43 0.29 0.47 0.28 0.07 0.00 0.00 179.01 180.55 1jbj h VAL 54 N 0.46 0.90 0.00 -1.06 2.07 -1.89 -1.09 116.25 115.63 1jbj h VAL 54 Ca 0.14 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jbj h VAL 54 Cb -0.02 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1jbj h VAL 54 CO -0.05 0.10 -1.26 -0.62 0.02 0.00 0.00 177.57 175.75 1jbj n GLU 55 N -4.49 0.51 0.00 1.57 1.02 -0.81 -4.89 120.64 113.56 1jbj n GLU 55 Ca 0.12 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1jbj n GLU 55 Cb 0.38 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1jbj n GLU 55 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jbj n ASP 56 N -2.33 0.00 -2.99 1.62 9.92 0.30 -5.06 116.55 118.02 1jbj n ASP 56 Ca -0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1jbj n ASP 56 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1jbj n ASP 56 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1jbj n SER 57 N 0.00 -6.46 0.00 -2.24 2.88 -0.70 -4.92 113.62 102.18 1jbj n SER 57 Ca 0.00 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1jbj n SER 57 Cb 0.00 -2.92 0.00 0.00 -0.75 0.00 0.00 64.21 60.54 1jbj n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbj n GLY 58 N 1.44 2.98 3.56 0.46 0.00 -1.05 -5.03 105.19 107.55 1jbj n GLY 58 Ca -0.05 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1jbj n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbj s TYR 59 N -0.71 2.56 0.11 1.61 1.51 -1.26 0.06 117.35 121.23 1jbj s TYR 59 Ca 0.00 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 1jbj s TYR 59 Cb 0.00 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1jbj s TYR 59 CO 0.00 0.59 -0.11 0.71 -1.11 0.00 0.00 175.55 175.63 1jbj s TYR 60 N -2.05 1.14 0.11 2.71 1.51 -0.40 -1.97 117.35 118.39 1jbj s TYR 60 Ca 0.28 -0.66 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 1jbj s TYR 60 Cb -0.07 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.19 1jbj s TYR 60 CO 0.16 0.03 0.33 0.54 -1.11 0.00 0.00 175.55 175.50 1jbj s VAL 61 N -2.57 0.09 -0.04 0.71 0.11 0.12 -2.49 120.40 116.34 1jbj s VAL 61 Ca 0.08 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.33 1jbj s VAL 61 Cb -0.02 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1jbj s VAL 61 CO 0.00 -0.42 0.09 0.00 -3.33 0.00 0.00 175.10 171.44 1jbj s TYR 63 N 0.40 0.22 0.27 0.00 -0.85 -1.02 -4.74 117.35 111.64 1jbj s TYR 63 Ca -0.03 -0.64 0.05 0.00 -0.52 0.00 0.00 57.07 55.93 1jbj s TYR 63 Cb -0.04 -0.07 -0.06 0.00 0.38 0.00 0.00 41.96 42.17 1jbj s TYR 63 CO -0.02 -0.58 -0.02 0.95 -1.52 0.00 0.00 175.55 174.37 1jbj s THR 64 N -3.89 1.34 0.52 -3.49 -4.23 -0.58 -2.39 115.64 102.92 1jbj s THR 64 Ca 0.08 -2.07 0.16 0.00 -1.18 0.00 0.00 61.69 58.68 1jbj s THR 64 Cb 0.05 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.68 1jbj s THR 64 CO -0.08 -0.25 2.14 1.55 -0.54 0.00 0.00 174.62 177.43 1jbj h PRO 65 N 2.32 0.02 0.00 3.99 0.13 -2.01 -1.69 132.00 134.76 1jbj h PRO 65 Ca -0.40 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1jbj h PRO 65 Cb 1.23 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1jbj h PRO 65 CO 0.67 0.02 -1.24 0.00 -0.23 0.00 0.00 178.00 177.22 1jbj n ALA 66 N -2.54 3.18 -4.00 -0.56 0.00 -1.26 -4.75 120.51 110.58 1jbj n ALA 66 Ca -0.02 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.70 1jbj n ALA 66 Cb 0.11 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 1jbj n ALA 66 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jbj s SER 67 N -4.27 4.65 0.12 0.00 0.01 -0.64 -4.93 113.70 108.64 1jbj s SER 67 Ca 0.01 -2.02 0.21 0.00 1.31 0.00 0.00 55.95 55.46 1jbj s SER 67 Cb 0.13 -1.55 -0.09 0.00 0.21 0.00 0.00 66.02 64.73 1jbj s SER 67 CO 0.83 -0.36 0.89 -3.20 0.41 0.00 0.00 173.24 171.80 1jbj n ASN 68 N 4.33 0.73 -4.60 2.44 2.85 -1.25 -1.53 115.26 118.23 1jbj n ASN 68 Ca 0.01 0.29 -0.42 0.00 -0.11 0.00 0.00 54.58 54.35 1jbj n ASN 68 Cb 0.42 0.57 -0.04 0.00 1.24 0.00 0.00 39.78 41.96 1jbj n ASN 68 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jbj s LYS 69 N -3.24 3.83 0.08 1.20 2.47 -1.26 -4.99 119.74 117.84 1jbj s LYS 69 Ca -0.02 0.48 0.02 0.00 -1.56 0.00 0.00 55.97 54.88 1jbj s LYS 69 Cb 0.10 -3.79 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 1jbj s LYS 69 CO 0.81 -0.86 -0.07 0.54 0.16 0.00 0.00 175.35 175.93 1jbj s ASN 70 N 1.82 1.03 0.10 1.43 4.22 -1.26 -5.02 114.94 117.26 1jbj s ASN 70 Ca 0.34 -0.91 0.01 0.00 -2.14 0.00 0.00 52.86 50.17 1jbj s ASN 70 Cb -0.13 0.09 -0.04 0.00 1.28 0.00 0.00 41.25 42.45 1jbj s ASN 70 CO 0.17 -0.42 0.23 -0.89 -2.04 0.00 0.00 177.10 174.15 1jbj s THR 71 N -3.19 5.29 -0.21 0.54 2.01 -1.26 -5.06 115.64 113.76 1jbj s THR 71 Ca 0.07 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 1jbj s THR 71 Cb 0.02 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1jbj s THR 71 CO -0.04 0.03 0.11 -0.31 -0.69 0.00 0.00 174.62 173.72 1jbj s TYR 72 N -1.61 3.32 0.17 4.92 2.02 -1.26 -4.64 117.35 120.27 1jbj s TYR 72 Ca 0.34 0.18 0.09 0.00 -0.37 0.00 0.00 57.07 57.31 1jbj s TYR 72 Cb -0.12 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 1jbj s TYR 72 CO 0.28 0.16 -0.10 -0.48 -1.57 0.00 0.00 175.55 173.84 1jbj s LEU 73 N 0.60 2.97 -0.30 -1.29 0.05 -1.04 -3.97 118.68 115.72 1jbj s LEU 73 Ca 0.06 -0.56 -0.06 0.00 0.05 0.00 0.00 54.13 53.62 1jbj s LEU 73 Cb -0.12 -1.67 0.01 0.00 -2.05 0.00 0.00 46.19 42.36 1jbj s LEU 73 CO 0.01 0.11 0.07 -0.47 -0.55 0.00 0.00 176.35 175.52 1jbj s TYR 74 N -1.65 3.15 -0.24 3.48 5.04 0.11 -1.27 117.35 125.97 1jbj s TYR 74 Ca 0.24 -1.10 -0.07 0.00 -2.44 0.00 0.00 57.07 53.71 1jbj s TYR 74 Cb -0.09 -2.24 -0.03 0.00 0.35 0.00 0.00 41.96 39.96 1jbj s TYR 74 CO 0.15 -0.61 0.05 -1.17 -1.34 0.00 0.00 175.55 172.62 1jbj s LEU 75 N 1.47 3.36 -0.20 6.97 0.20 0.11 -2.10 118.68 128.48 1jbj s LEU 75 Ca 0.02 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.57 1jbj s LEU 75 Cb -0.17 -1.89 0.08 0.00 -0.43 0.00 0.00 46.19 43.78 1jbj s LEU 75 CO 0.02 -0.02 0.16 -0.75 -0.29 0.00 0.00 176.35 175.47 1jbj s LYS 76 N 1.51 0.15 0.28 1.98 2.20 -0.85 -2.54 119.74 122.47 1jbj s LYS 76 Ca 0.06 -0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.50 1jbj s LYS 76 Cb -0.15 -1.42 0.01 0.00 -1.51 0.00 0.00 37.83 34.76 1jbj s LYS 76 CO 0.02 -0.73 0.61 0.00 -0.36 0.00 0.00 175.35 174.89 1jbj s ALA 77 N 2.23 -0.58 0.09 3.13 0.00 -1.26 -3.37 121.76 121.99 1jbj s ALA 77 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.34 1jbj s ALA 77 Cb -0.16 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1jbj s ALA 77 CO -0.15 -0.93 -0.09 0.50 0.00 0.00 0.00 175.76 175.09 1jbj s ARG 78 N -3.69 0.78 0.07 0.00 3.52 -1.26 -3.49 118.95 114.88 1jbj s ARG 78 Ca 0.18 -1.11 -0.13 0.00 -0.13 0.00 0.00 55.73 54.54 1jbj s ARG 78 Cb -0.03 -0.43 0.02 0.00 -1.56 0.00 0.00 34.95 32.95 1jbj s ARG 78 CO 0.10 0.06 0.30 0.14 -0.81 0.00 0.00 175.30 175.08 1jbj s VAL 79 N -2.42 0.09 0.00 7.11 -7.23 -1.25 -5.01 120.40 111.69 1jbj s VAL 79 Ca 0.03 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1jbj s VAL 79 Cb -0.03 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1jbj s VAL 79 CO -0.01 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1jbj n GLY 80 N 0.23 1.12 2.55 2.32 0.00 -1.26 -2.17 105.19 107.99 1jbj n GLY 80 Ca -0.17 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1jbj n GLY 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbj n SER 81 N -2.62 7.72 -2.42 1.61 3.41 -1.26 -4.67 113.62 115.38 1jbj n SER 81 Ca 0.00 -3.37 -0.32 0.00 -0.26 0.00 0.00 58.87 54.92 1jbj n SER 81 Cb 0.00 -1.28 0.04 0.00 -0.26 0.00 0.00 64.21 62.71 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbj n ALA 82 N 0.95 5.82 -2.71 7.33 0.00 -0.92 -4.40 120.51 126.57 1jbj n ALA 82 Ca 0.56 -3.87 -0.01 0.00 0.00 0.00 0.00 53.44 50.12 1jbj n ALA 82 Cb 0.26 -1.23 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1jbj n ALA 82 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jbj n ASP 83 N -0.69 0.53 -4.27 0.00 5.75 -1.26 -4.68 116.55 111.93 1jbj n ASP 83 Ca 0.52 -2.07 -0.26 0.00 -0.01 0.00 0.00 54.79 52.96 1jbj n ASP 83 Cb 0.63 -0.09 -0.14 0.00 -1.03 0.00 0.00 41.12 40.49 1jbj n ASP 83 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1jbj s ASP 84 N -2.73 2.58 0.00 -1.12 -4.77 -1.26 -5.08 116.67 104.29 1jbj s ASP 84 Ca 0.21 -0.56 0.00 0.00 -3.30 0.00 0.00 52.55 48.90 1jbj s ASP 84 Cb 0.35 -0.20 0.00 0.00 -1.09 0.00 0.00 42.92 41.98 1jbj s ASP 84 CO -0.08 0.15 0.00 0.00 0.70 0.00 0.00 175.17 175.95 1jbj n ALA 85 N 1.68 2.07 -2.74 2.11 0.00 -1.26 -5.11 120.51 117.26 1jbj n ALA 85 Ca -0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 1jbj n ALA 85 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1jbj n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 86 N -1.29 -3.43 0.00 0.00 5.02 -1.26 -5.00 118.16 112.19 1jbj n LYS 86 Ca 0.00 2.75 0.00 0.00 -2.02 0.00 0.00 58.31 59.04 1jbj n LYS 86 Cb 0.00 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1jbj n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jbj n LYS 87 N 0.97 0.00 -0.28 1.97 5.02 -1.26 -4.92 118.16 119.66 1jbj n LYS 87 Ca -0.08 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1jbj n LYS 87 Cb 0.16 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1jbj n LYS 87 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jbj n ASP 88 N -1.15 0.00 0.00 4.39 2.03 -1.26 -4.27 116.55 116.30 1jbj n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jbj n ASP 88 Cb 0.00 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1jbj n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jbj n ALA 89 N 0.29 0.00 0.00 -1.67 0.00 -1.26 -5.00 120.51 112.87 1jbj n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jbj n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jbj n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jbj n ALA 90 N 0.00 2.08 -0.69 0.00 0.00 -1.26 -5.16 120.51 115.48 1jbj n ALA 90 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1jbj n ALA 90 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 1jbj n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 91 N -2.05 -1.61 -2.86 0.00 0.00 -1.26 -4.75 118.16 105.63 1jbj n LYS 91 Ca 0.00 1.32 -0.43 0.00 0.00 0.00 0.00 58.31 59.20 1jbj n LYS 91 Cb 0.25 -1.85 -0.04 0.00 0.00 0.00 0.00 35.03 33.38 1jbj n LYS 91 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1jbj s LYS 92 N -3.70 3.43 0.30 1.64 2.47 -1.26 -4.97 119.74 117.65 1jbj s LYS 92 Ca 0.00 -0.05 -0.19 0.00 -1.56 0.00 0.00 55.97 54.17 1jbj s LYS 92 Cb 0.00 -3.97 0.05 0.00 -1.46 0.00 0.00 37.83 32.45 1jbj s LYS 92 CO 0.00 -1.29 0.84 0.34 0.16 0.00 0.00 175.35 175.40 1jbj s ASP 93 N 2.44 -0.08 -1.16 1.43 -1.08 -1.26 -5.08 116.67 111.88 1jbj s ASP 93 Ca 0.33 -0.85 -0.10 0.00 -0.52 0.00 0.00 52.55 51.41 1jbj s ASP 93 Cb -0.11 0.72 0.24 0.00 -1.46 0.00 0.00 42.92 42.30 1jbj s ASP 93 CO 0.23 -1.39 1.35 0.47 0.52 0.00 0.00 175.17 176.35 1jbj n ASP 94 N -1.04 5.50 -1.26 -0.34 8.00 -1.26 -4.43 116.55 121.71 1jbj n ASP 94 Ca -0.06 -3.08 -0.04 0.00 0.71 0.00 0.00 54.79 52.33 1jbj n ASP 94 Cb 0.60 -1.44 -0.01 0.00 -0.02 0.00 0.00 41.12 40.25 1jbj n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 95 N 3.61 1.88 -2.70 2.24 0.00 -1.26 -5.15 120.51 119.12 1jbj n ALA 95 Ca 0.30 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1jbj n ALA 95 Cb 0.39 -0.42 0.05 0.00 0.00 0.00 0.00 19.45 19.47 1jbj n ALA 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 96 N -0.31 0.47 -0.51 0.00 4.81 -1.26 -4.98 118.16 116.38 1jbj n LYS 96 Ca -0.17 -1.60 0.07 0.00 -0.87 0.00 0.00 58.31 55.73 1jbj n LYS 96 Cb 0.62 -0.26 -0.02 0.00 0.02 0.00 0.00 35.03 35.39 1jbj n LYS 96 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jbj n LYS 97 N -1.88 -1.02 0.00 1.64 3.00 -1.26 -4.75 118.16 113.90 1jbj n LYS 97 Ca 0.09 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1jbj n LYS 97 Cb 0.33 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.12 1jbj n LYS 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jbj n ASP 98 N -3.47 0.00 -2.08 3.14 -0.08 -1.26 -4.59 116.55 108.21 1jbj n ASP 98 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 1jbj n ASP 98 Cb 0.23 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.69 1jbj n ASP 98 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1jbj n ASP 99 N 1.90 -5.10 -3.17 1.67 -0.08 -1.26 -4.95 116.55 105.56 1jbj n ASP 99 Ca 0.00 -0.07 0.05 0.00 -1.51 0.00 0.00 54.79 53.26 1jbj n ASP 99 Cb 0.00 -4.14 -0.02 0.00 2.34 0.00 0.00 41.12 39.30 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jbj s ALA 100 N -2.90 -3.48 -0.17 -1.67 0.00 -1.26 -5.03 121.76 107.24 1jbj s ALA 100 Ca 0.06 1.47 0.15 0.00 0.00 0.00 0.00 51.96 53.64 1jbj s ALA 100 Cb -0.03 -2.48 -0.22 0.00 0.00 0.00 0.00 23.12 20.39 1jbj s ALA 100 CO 0.07 -1.40 0.40 1.63 0.00 0.00 0.00 175.76 176.46 1jbj n LYS 101 N 5.38 0.83 -0.01 0.00 5.02 -1.26 -4.35 118.16 123.76 1jbj n LYS 101 Ca -0.08 -0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.22 1jbj n LYS 101 Cb 0.54 -1.33 0.63 0.00 -0.02 0.00 0.00 35.03 34.86 1jbj n LYS 101 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1jbj n LYS 102 N -1.88 1.19 -0.95 1.97 -0.00 -1.26 -3.54 118.16 113.69 1jbj n LYS 102 Ca -0.02 -0.29 -0.19 0.00 -0.00 0.00 0.00 58.31 57.82 1jbj n LYS 102 Cb 0.36 -1.39 0.13 0.00 -0.00 0.00 0.00 35.03 34.13 1jbj n LYS 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jbj n ASP 103 N -0.56 3.90 -2.34 -5.58 -0.08 -1.26 -4.84 116.55 105.78 1jbj n ASP 103 Ca 0.18 -3.24 -0.14 0.00 -1.51 0.00 0.00 54.79 50.08 1jbj n ASP 103 Cb 0.15 -0.78 0.05 0.00 2.34 0.00 0.00 41.12 42.88 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jbj n GLY 104 N -0.71 0.04 3.72 0.27 0.00 -1.25 -4.98 105.19 102.28 1jbj n GLY 104 Ca 0.45 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1jbj n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbj s SER 105 N -3.17 4.08 -0.22 1.61 0.01 -1.23 -4.89 113.70 109.88 1jbj s SER 105 Ca 0.35 2.36 -0.29 0.00 1.31 0.00 0.00 55.95 59.68 1jbj s SER 105 Cb -0.15 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1jbj s SER 105 CO 0.43 -2.34 1.66 -1.10 0.41 0.00 0.00 173.24 172.29 1jbj s GLN 106 N -3.95 3.74 -0.32 12.44 -1.52 -1.26 -4.79 119.66 124.01 1jbj s GLN 106 Ca 0.74 1.67 0.02 0.00 -1.95 0.00 0.00 55.36 55.85 1jbj s GLN 106 Cb -0.29 -4.06 0.31 0.00 -0.22 0.00 0.00 33.01 28.75 1jbj s GLN 106 CO 0.46 -1.36 1.38 -2.37 -0.25 0.00 0.00 175.29 173.15 1jbj n THR 107 N 6.52 0.00 -2.84 -0.19 5.66 -1.26 -5.06 114.28 117.11 1jbj n THR 107 Ca 0.19 -0.61 -0.11 0.00 -3.05 0.00 0.00 64.05 60.47 1jbj n THR 107 Cb 0.45 1.05 0.06 0.00 -1.55 0.00 0.00 70.33 70.35 1jbj n THR 107 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1jbj n ASN 108 N 0.77 -1.67 -3.35 1.09 3.02 -1.26 -5.15 115.26 108.71 1jbj n ASN 108 Ca -0.04 -3.52 -0.22 0.00 -0.03 0.00 0.00 54.58 50.76 1jbj n ASN 108 Cb 0.75 1.35 0.18 0.00 -0.61 0.00 0.00 39.78 41.44 1jbj n ASN 108 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1jbj n LYS 109 N 0.44 -2.00 -4.03 3.52 4.81 -1.26 -5.07 118.16 114.58 1jbj n LYS 109 Ca 0.10 -1.41 -0.27 0.00 -0.87 0.00 0.00 58.31 55.87 1jbj n LYS 109 Cb 0.68 -1.16 -0.05 0.00 0.02 0.00 0.00 35.03 34.53 1jbj n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jbj s ALA 110 N -3.38 3.70 -1.17 3.14 0.00 -1.26 -5.05 121.76 117.74 1jbj s ALA 110 Ca 0.55 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 1jbj s ALA 110 Cb -0.04 -1.51 0.20 0.00 0.00 0.00 0.00 23.12 21.77 1jbj s ALA 110 CO 0.41 0.57 1.33 0.15 0.00 0.00 0.00 175.76 178.22 1jbj s LYS 111 N -2.99 4.11 -0.11 0.00 3.01 -1.26 -4.72 119.74 117.77 1jbj s LYS 111 Ca 0.32 -2.74 0.02 0.00 -1.01 0.00 0.00 55.97 52.55 1jbj s LYS 111 Cb -0.11 -4.91 -0.24 0.00 -1.01 0.00 0.00 37.83 31.56 1jbj s LYS 111 CO 0.25 -1.61 0.39 -1.71 0.51 0.00 0.00 175.35 173.17 1jbj n ASN 112 N 4.81 1.60 -4.65 2.83 5.15 -1.26 -3.66 115.26 120.08 1jbj n ASN 112 Ca 0.32 0.23 -0.28 0.00 -0.60 0.00 0.00 54.58 54.25 1jbj n ASN 112 Cb 0.42 -0.46 0.12 0.00 -0.53 0.00 0.00 39.78 39.32 1jbj n ASN 112 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jbj s LEU 113 N -6.61 2.65 0.40 1.20 1.43 -1.26 -4.69 118.68 111.81 1jbj s LEU 113 Ca -0.17 0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 1jbj s LEU 113 Cb 0.07 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.34 1jbj s LEU 113 CO 0.78 -2.12 0.86 -0.69 0.23 0.00 0.00 176.35 175.40 1jbj s VAL 114 N -3.60 4.57 -0.03 -1.59 1.01 -1.26 -4.77 120.40 114.73 1jbj s VAL 114 Ca 0.66 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 1jbj s VAL 114 Cb -0.08 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1jbj s VAL 114 CO 0.49 -0.36 0.04 -1.10 0.00 0.00 0.00 175.10 174.17 1jbj s GLN 115 N -3.35 0.02 -0.02 2.72 -0.21 -1.05 -5.05 119.66 112.71 1jbj s GLN 115 Ca 0.57 0.24 0.06 0.00 0.02 0.00 0.00 55.36 56.26 1jbj s GLN 115 Cb -0.10 -0.41 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 1jbj s GLN 115 CO 0.20 -0.23 -0.21 0.54 -2.12 0.00 0.00 175.29 173.47 1jbj s VAL 116 N 1.52 1.66 0.28 1.09 0.11 -1.26 0.11 120.40 123.92 1jbj s VAL 116 Ca -0.03 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1jbj s VAL 116 Cb -0.13 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1jbj s VAL 116 CO -0.03 0.47 0.49 -1.81 -3.33 0.00 0.00 175.10 170.89 1jbj s ASP 117 N -0.39 6.35 0.00 3.54 1.01 0.33 -4.90 116.67 122.60 1jbj s ASP 117 Ca 0.05 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1jbj s ASP 117 Cb -0.09 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1jbj s ASP 117 CO -0.00 -0.18 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1jbj n GLY 118 N -1.28 0.02 3.40 0.21 0.00 -1.25 -1.61 105.19 104.69 1jbj n GLY 118 Ca -0.05 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1jbj n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 119 N -2.97 7.12 -0.12 1.61 0.15 -1.26 -3.62 113.70 114.60 1jbj s SER 119 Ca 0.00 -3.15 0.15 0.00 0.70 0.00 0.00 55.95 53.66 1jbj s SER 119 Cb 0.00 -2.31 0.55 0.00 -1.71 0.00 0.00 66.02 62.56 1jbj s SER 119 CO 0.00 -0.57 1.47 0.54 1.20 0.00 0.00 173.24 175.88 1jbj n ARG 120 N 4.35 3.32 0.00 5.44 5.12 -1.26 -4.95 116.66 128.68 1jbj n ARG 120 Ca 0.28 -2.70 0.00 0.00 -1.93 0.00 0.00 57.85 53.51 1jbj n ARG 120 Cb 0.42 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jbj n GLY 121 N 0.27 2.94 0.09 -0.13 0.00 -1.26 -4.67 105.19 102.42 1jbj n GLY 121 Ca 0.21 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.48 1jbj n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbj n ASP 122 N 1.47 0.66 0.00 1.61 8.00 -1.26 -4.97 116.55 122.06 1jbj n ASP 122 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1jbj n ASP 122 Cb 0.00 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 123 N 1.35 0.99 3.79 0.44 0.00 -1.26 -5.09 105.19 105.41 1jbj n GLY 123 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1jbj n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jbj s SER 124 N -2.09 5.69 -0.25 1.61 1.04 -1.24 -4.03 113.70 114.43 1jbj s SER 124 Ca 0.00 1.88 -0.04 0.00 0.48 0.00 0.00 55.95 58.27 1jbj s SER 124 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1jbj s SER 124 CO 0.00 -1.23 -0.02 -0.69 0.98 0.00 0.00 173.24 172.28 1jbj s VAL 125 N -2.36 3.38 -0.36 5.02 1.01 -0.00 -3.90 120.40 123.19 1jbj s VAL 125 Ca 0.65 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1jbj s VAL 125 Cb -0.17 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.61 1jbj s VAL 125 CO 0.36 0.27 0.15 -0.76 0.00 0.00 0.00 175.10 175.13 1jbj s LEU 126 N 1.44 4.53 -0.34 3.92 1.02 -0.63 -2.29 118.68 126.33 1jbj s LEU 126 Ca 0.03 -1.17 -0.24 0.00 0.02 0.00 0.00 54.13 52.78 1jbj s LEU 126 Cb -0.16 -1.92 0.01 0.00 0.02 0.00 0.00 46.19 44.14 1jbj s LEU 126 CO -0.02 -0.37 0.81 -0.22 0.02 0.00 0.00 176.35 176.57 1jbj s LEU 127 N 1.44 4.09 -0.14 1.79 0.20 -0.43 0.12 118.68 125.75 1jbj s LEU 127 Ca -0.00 0.53 -0.07 0.00 0.69 0.00 0.00 54.13 55.28 1jbj s LEU 127 Cb -0.20 -3.09 -0.04 0.00 -0.43 0.00 0.00 46.19 42.43 1jbj s LEU 127 CO 0.04 -0.70 0.13 0.42 -0.29 0.00 0.00 176.35 175.94 1jbj s THR 128 N 3.10 5.41 0.00 3.68 -4.23 0.31 0.18 115.64 124.09 1jbj s THR 128 Ca 0.33 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1jbj s THR 128 Cb -0.13 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1jbj s THR 128 CO 0.15 0.57 0.00 0.00 -0.54 0.00 0.00 174.62 174.80 1jbj n GLY 130 N 0.00 2.96 3.90 0.00 0.00 -1.26 -4.54 105.19 106.24 1jbj n GLY 130 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jbj n GLY 130 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jbj n LEU 131 N 0.00 -1.40 -0.69 0.99 -0.00 -1.26 -0.45 117.00 114.18 1jbj n LEU 131 Ca 0.00 -1.17 -0.09 0.00 -0.00 0.00 0.00 56.01 54.75 1jbj n LEU 131 Cb 0.00 -1.96 -0.03 0.00 -0.00 0.00 0.00 43.42 41.42 1jbj n LEU 131 CO 0.00 0.66 -0.08 0.35 -0.00 0.00 0.00 177.39 178.32 1jbj n THR 132 N -4.66 -0.04 -2.97 1.47 -2.24 -1.24 -4.77 114.28 99.83 1jbj n THR 132 Ca -0.10 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.32 1jbj n THR 132 Cb 0.57 -1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 1jbj n THR 132 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jbj s ASP 133 N -2.88 7.15 0.00 3.42 1.01 0.40 -4.94 116.67 120.83 1jbj s ASP 133 Ca 0.00 1.59 0.26 0.00 0.71 0.00 0.00 52.55 55.10 1jbj s ASP 133 Cb 0.00 -2.48 1.17 0.00 1.01 0.00 0.00 42.92 42.62 1jbj s ASP 133 CO 0.00 -0.03 1.84 0.29 0.21 0.00 0.00 175.17 177.48 1jbj n LYS 134 N 0.56 0.15 -4.28 8.23 5.02 -1.26 -4.67 118.16 121.91 1jbj n LYS 134 Ca -0.00 0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.14 1jbj n LYS 134 Cb 0.51 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1jbj n LYS 134 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jbj s THR 135 N -2.82 0.68 -0.19 -0.18 2.01 -1.26 -4.97 115.64 108.90 1jbj s THR 135 Ca 0.17 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1jbj s THR 135 Cb 0.17 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 72.05 1jbj s THR 135 CO 0.43 0.25 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.82 1jbj s ILE 136 N 0.72 1.91 -0.10 1.82 -1.09 -1.26 -3.14 121.20 120.07 1jbj s ILE 136 Ca -0.11 -1.00 -0.01 0.00 -2.23 0.00 0.00 60.65 57.30 1jbj s ILE 136 Cb -0.14 -1.83 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 1jbj s ILE 136 CO 0.01 0.37 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.53 1jbj s LYS 137 N 1.32 0.97 0.07 2.79 1.02 -0.72 -4.98 119.74 120.20 1jbj s LYS 137 Ca 0.02 -0.10 0.05 0.00 0.02 0.00 0.00 55.97 55.96 1jbj s LYS 137 Cb -0.15 -1.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.79 1jbj s LYS 137 CO -0.10 -0.33 -0.03 -0.46 -0.92 0.00 0.00 175.35 173.51 1jbj s TRP 138 N 1.85 2.94 0.03 3.18 -0.11 -1.26 0.82 118.94 126.40 1jbj s TRP 138 Ca 0.04 -0.04 0.03 0.00 1.22 0.00 0.00 56.10 57.35 1jbj s TRP 138 Cb -0.13 -1.55 -0.02 0.00 -1.50 0.00 0.00 33.47 30.28 1jbj s TRP 138 CO -0.07 0.45 -0.08 -0.51 -4.62 0.00 0.00 176.95 172.12 1jbj s LEU 139 N -2.06 2.17 -0.21 5.86 1.02 0.46 -2.30 118.68 123.62 1jbj s LEU 139 Ca 0.23 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 1jbj s LEU 139 Cb -0.11 -0.27 0.01 0.00 0.02 0.00 0.00 46.19 45.84 1jbj s LEU 139 CO 0.15 -0.08 -0.12 -0.75 0.02 0.00 0.00 176.35 175.57 1jbj s LYS 140 N -1.08 3.03 -1.53 1.70 2.36 0.28 -1.11 119.74 123.39 1jbj s LYS 140 Ca -0.04 -0.83 -0.02 0.00 -2.55 0.00 0.00 55.97 52.53 1jbj s LYS 140 Cb -0.07 -2.81 0.00 0.00 -1.05 0.00 0.00 37.83 33.90 1jbj s LYS 140 CO 0.00 -0.27 0.28 -0.25 1.55 0.00 0.00 175.35 176.67 1jbj n ASP 141 N 4.68 -5.63 0.00 1.43 8.00 -1.26 -1.22 116.55 122.55 1jbj n ASP 141 Ca -0.19 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1jbj n ASP 141 Cb 0.49 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1jbj n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbj n GLY 142 N -1.24 0.56 3.44 0.44 0.00 -1.26 -5.03 105.19 102.10 1jbj n GLY 142 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1jbj n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 143 N -2.11 3.88 0.08 1.61 0.15 -0.35 -5.08 113.70 111.88 1jbj s SER 143 Ca 0.00 -0.25 -0.31 0.00 0.70 0.00 0.00 55.95 56.09 1jbj s SER 143 Cb 0.00 -0.89 -0.09 0.00 -1.71 0.00 0.00 66.02 63.33 1jbj s SER 143 CO 0.00 0.32 1.87 -0.63 1.20 0.00 0.00 173.24 176.00 1jbj s ILE 144 N -0.56 2.79 -0.23 6.45 -1.09 -1.26 0.98 121.20 128.28 1jbj s ILE 144 Ca 0.08 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 1jbj s ILE 144 Cb -0.11 -3.05 0.08 0.00 -1.58 0.00 0.00 42.46 37.79 1jbj s ILE 144 CO 0.01 -0.00 0.10 -0.51 -1.23 0.00 0.00 174.94 173.31 1jbj s ILE 145 N 3.47 0.06 0.24 2.92 2.07 -0.97 -4.82 121.20 124.17 1jbj s ILE 145 Ca 0.83 -0.52 0.09 0.00 -1.41 0.00 0.00 60.65 59.65 1jbj s ILE 145 Cb -0.44 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 1jbj s ILE 145 CO 0.38 -0.47 -0.05 -0.94 -1.91 0.00 0.00 174.94 171.95 1jbj s SER 146 N 2.05 4.36 1.06 4.50 1.04 -1.26 -4.39 113.70 121.06 1jbj s SER 146 Ca 0.05 -0.65 -0.14 0.00 0.48 0.00 0.00 55.95 55.68 1jbj s SER 146 Cb -0.16 -0.76 0.22 0.00 0.10 0.00 0.00 66.02 65.42 1jbj s SER 146 CO -0.20 0.04 1.10 -2.16 0.98 0.00 0.00 173.24 173.00 1jbj s PRO 147 N -3.36 -0.07 -0.27 4.02 0.04 -1.26 -5.04 135.00 129.06 1jbj s PRO 147 Ca 0.29 0.31 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 1jbj s PRO 147 Cb -0.07 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.81 1jbj s PRO 147 CO 0.18 -3.02 -0.04 -1.17 0.04 0.00 0.00 177.00 172.99 1jbj s LEU 148 N -6.59 3.53 -1.25 -3.56 1.98 -1.26 -4.65 118.68 106.88 1jbj s LEU 148 Ca 0.67 -1.10 0.00 0.00 -2.89 0.00 0.00 54.13 50.81 1jbj s LEU 148 Cb -0.16 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.02 1jbj s LEU 148 CO 0.57 -0.19 0.00 -0.46 -1.89 0.00 0.00 176.35 174.38 1jbj n ASN 149 N 4.63 -4.36 -3.73 3.68 0.23 -1.26 -4.94 115.26 109.50 1jbj n ASN 149 Ca -0.15 0.16 -0.12 0.00 -0.53 0.00 0.00 54.58 53.94 1jbj n ASN 149 Cb 0.45 -3.70 -0.11 0.00 -2.08 0.00 0.00 39.78 34.33 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jbj s ALA 150 N -2.69 -0.84 -0.39 -2.53 0.00 -1.26 -5.09 121.76 108.96 1jbj s ALA 150 Ca 0.00 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1jbj s ALA 150 Cb 0.00 -0.68 0.26 0.00 0.00 0.00 0.00 23.12 22.69 1jbj s ALA 150 CO 0.00 -0.20 1.09 -2.37 0.00 0.00 0.00 175.76 174.28 1jbj n THR 151 N 3.60 0.00 -1.53 0.00 5.66 -1.26 -4.51 114.28 116.25 1jbj n THR 151 Ca -0.19 -0.93 -0.35 0.00 -3.05 0.00 0.00 64.05 59.53 1jbj n THR 151 Cb 0.56 1.19 0.05 0.00 -1.55 0.00 0.00 70.33 70.58 1jbj n THR 151 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jbj n LYS 152 N 1.68 2.63 -0.86 1.09 5.02 -1.26 -4.77 118.16 121.69 1jbj n LYS 152 Ca 0.05 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 1jbj n LYS 152 Cb 0.67 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1jbj n LYS 152 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jbj n ASN 153 N -0.57 -2.55 -4.88 4.39 5.15 -1.26 -4.96 115.26 110.58 1jbj n ASN 153 Ca 0.56 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 54.27 1jbj n ASN 153 Cb 0.49 -1.92 -0.02 0.00 -0.53 0.00 0.00 39.78 37.80 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jbj s THR 154 N -1.78 1.54 -0.02 -0.44 -4.23 -1.26 -2.50 115.64 106.95 1jbj s THR 154 Ca 0.00 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1jbj s THR 154 Cb 0.00 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.73 1jbj s THR 154 CO 0.00 0.00 -0.06 0.86 -0.54 0.00 0.00 174.62 174.88 1jbj s TRP 155 N -2.80 0.67 -0.41 3.99 -0.00 0.48 -4.83 118.94 116.05 1jbj s TRP 155 Ca 0.28 -0.16 -0.29 0.00 -0.00 0.00 0.00 56.10 55.94 1jbj s TRP 155 Cb -0.02 -0.53 0.02 0.00 -0.00 0.00 0.00 33.47 32.95 1jbj s TRP 155 CO 0.18 -0.10 1.18 1.21 -0.00 0.00 0.00 176.95 179.42 1jbj s ASN 156 N 0.38 6.67 -0.12 5.86 3.84 -1.26 -1.32 114.94 128.99 1jbj s ASN 156 Ca -0.05 0.75 0.14 0.00 0.21 0.00 0.00 52.86 53.91 1jbj s ASN 156 Cb -0.09 -2.55 -0.20 0.00 -0.55 0.00 0.00 41.25 37.87 1jbj s ASN 156 CO -0.00 -1.17 0.12 0.18 -2.79 0.00 0.00 177.10 173.44 1jbj n LEU 157 N 7.73 0.00 0.00 3.21 4.77 -0.97 -5.01 117.00 126.73 1jbj n LEU 157 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1jbj n LEU 157 Cb 0.48 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1jbj n LEU 157 CO 0.68 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1jbj n GLY 158 N 1.96 0.50 3.23 -0.72 0.00 -1.26 -4.68 105.19 104.22 1jbj n GLY 158 Ca -0.20 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 1jbj n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jbj s ASN 159 N -4.00 3.64 0.55 1.61 2.47 -1.26 -0.82 114.94 117.13 1jbj s ASN 159 Ca 0.00 -0.51 0.47 0.00 0.42 0.00 0.00 52.86 53.25 1jbj s ASN 159 Cb 0.00 -1.58 1.62 0.00 -1.45 0.00 0.00 41.25 39.85 1jbj s ASN 159 CO 0.00 0.04 1.51 -0.46 -3.72 0.00 0.00 177.10 174.47 1jbj n ASN 160 N 4.38 0.00 0.03 -4.21 0.23 -1.26 0.23 115.26 114.66 1jbj n ASN 160 Ca -0.19 0.95 -0.10 0.00 -0.53 0.00 0.00 54.58 54.71 1jbj n ASN 160 Cb 0.51 -0.46 0.04 0.00 -2.08 0.00 0.00 39.78 37.79 1jbj n ASN 160 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jbj h ALA 161 N 0.93 0.64 0.00 -2.53 0.00 -1.88 -2.99 119.26 113.44 1jbj h ALA 161 Ca 0.88 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jbj h ALA 161 Cb 3.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 21.37 1jbj h ALA 161 CO -0.01 0.72 -1.26 1.17 0.00 0.00 0.00 179.25 179.87 1jbj n LYS 162 N -3.91 0.85 -2.37 0.00 4.81 0.44 -4.68 118.16 113.31 1jbj n LYS 162 Ca -0.04 -0.07 -0.23 0.00 -0.87 0.00 0.00 58.31 57.10 1jbj n LYS 162 Cb 0.65 -1.17 0.01 0.00 0.02 0.00 0.00 35.03 34.55 1jbj n LYS 162 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jbj n ASP 163 N -1.72 4.37 -4.77 3.14 9.92 0.63 -4.90 116.55 123.22 1jbj n ASP 163 Ca -0.01 -3.57 -0.38 0.00 -0.53 0.00 0.00 54.79 50.30 1jbj n ASP 163 Cb 0.22 -0.43 -0.05 0.00 -0.64 0.00 0.00 41.12 40.22 1jbj n ASP 163 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1jbj s PRO 164 N -3.54 4.43 0.21 -0.24 0.04 -1.13 -4.54 135.00 130.23 1jbj s PRO 164 Ca 0.46 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1jbj s PRO 164 Cb 0.40 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1jbj s PRO 164 CO -0.09 0.08 0.00 -2.13 0.04 0.00 0.00 177.00 174.90 1jbj n ARG 165 N 0.55 -5.39 -3.64 4.56 0.00 -1.07 -4.98 116.66 106.69 1jbj n ARG 165 Ca 0.02 3.84 -0.08 0.00 -0.00 0.00 0.00 57.85 61.63 1jbj n ARG 165 Cb 0.48 -4.11 -0.07 0.00 0.00 0.00 0.00 32.46 28.76 1jbj n ARG 165 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jbj s GLY 166 N -0.56 -0.32 -0.22 5.14 0.00 -0.57 -4.96 107.32 105.83 1jbj s GLY 166 Ca 0.00 2.62 -0.09 0.00 0.00 0.00 0.00 44.72 47.24 1jbj s GLY 166 CO 0.00 2.18 0.12 -0.51 0.00 0.00 0.00 173.10 174.89 1jbj s THR 167 N 0.94 5.00 -0.02 0.90 -4.23 -1.25 -0.43 115.64 116.55 1jbj s THR 167 Ca -0.04 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1jbj s THR 167 Cb -0.05 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.50 1jbj s THR 167 CO -0.11 0.38 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.03 1jbj s TYR 168 N 0.96 0.34 -0.18 3.99 2.02 -0.67 -4.38 117.35 119.43 1jbj s TYR 168 Ca 0.06 -0.03 -0.09 0.00 -0.37 0.00 0.00 57.07 56.64 1jbj s TYR 168 Cb -0.14 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 1jbj s TYR 168 CO 0.03 -0.10 0.12 -0.65 -1.57 0.00 0.00 175.55 173.38 1jbj s GLN 169 N 0.74 3.98 0.11 -0.62 1.11 -0.27 0.17 119.66 124.88 1jbj s GLN 169 Ca -0.08 -0.23 0.03 0.00 0.01 0.00 0.00 55.36 55.09 1jbj s GLN 169 Cb -0.11 -3.32 -0.04 0.00 -1.01 0.00 0.00 33.01 28.53 1jbj s GLN 169 CO -0.01 0.40 0.15 0.00 0.01 0.00 0.00 175.29 175.83 1jbj s GLN 171 N -2.73 0.14 0.26 0.00 -1.52 0.24 -1.65 119.66 114.41 1jbj s GLN 171 Ca 0.32 -0.23 0.01 0.00 -1.95 0.00 0.00 55.36 53.51 1jbj s GLN 171 Cb -0.12 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 30.95 1jbj s GLN 171 CO 0.24 -0.76 0.43 0.20 -0.25 0.00 0.00 175.29 175.15 1jbj s GLY 172 N 2.10 1.47 0.12 3.09 0.00 0.67 -1.75 107.32 113.02 1jbj s GLY 172 Ca 0.04 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 43.53 1jbj s GLY 172 CO -0.16 -0.95 1.35 0.00 0.00 0.00 0.00 173.10 173.34 1jbj n ALA 173 N -1.24 -0.50 -0.37 3.20 0.00 -1.19 -2.04 120.51 118.37 1jbj n ALA 173 Ca -0.06 0.66 0.05 0.00 0.00 0.00 0.00 53.44 54.09 1jbj n ALA 173 Cb 0.56 -0.03 0.11 0.00 0.00 0.00 0.00 19.45 20.08 1jbj n ALA 173 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 174 N -4.80 2.67 -4.15 0.00 4.76 -1.26 -5.01 118.16 110.37 1jbj n LYS 174 Ca 0.02 -2.04 -0.12 0.00 -2.87 0.00 0.00 58.31 53.30 1jbj n LYS 174 Cb 0.20 -1.29 -0.10 0.00 -1.84 0.00 0.00 35.03 32.00 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1jbj s GLU 175 N -1.57 0.77 -0.13 1.97 0.41 -0.87 -5.15 118.70 114.14 1jbj s GLU 175 Ca 0.19 -1.18 -0.04 0.00 -0.41 0.00 0.00 54.97 53.53 1jbj s GLU 175 Cb 0.13 -0.27 0.06 0.00 -1.78 0.00 0.00 34.13 32.27 1jbj s GLU 175 CO 0.07 0.01 0.19 0.99 -0.49 0.00 0.00 175.26 176.03 1jbj s THR 176 N -2.94 -0.29 0.19 3.63 2.01 -1.26 0.24 115.64 117.22 1jbj s THR 176 Ca 0.06 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1jbj s THR 176 Cb 0.01 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 72.02 1jbj s THR 176 CO -0.03 0.03 0.48 -0.94 -0.69 0.00 0.00 174.62 173.47 1jbj s SER 177 N 2.31 6.57 0.72 3.53 1.04 -0.66 -4.96 113.70 122.25 1jbj s SER 177 Ca 0.04 0.78 -0.09 0.00 0.48 0.00 0.00 55.95 57.15 1jbj s SER 177 Cb -0.13 -2.17 0.05 0.00 0.10 0.00 0.00 66.02 63.87 1jbj s SER 177 CO -0.08 -0.02 1.06 0.20 0.98 0.00 0.00 173.24 175.38 1jbj s ASN 178 N -2.40 4.99 -0.32 7.02 -0.87 -1.26 -2.70 114.94 119.40 1jbj s ASN 178 Ca 0.45 0.75 -0.33 0.00 -1.57 0.00 0.00 52.86 52.15 1jbj s ASN 178 Cb -0.12 -1.44 -0.09 0.00 -0.02 0.00 0.00 41.25 39.58 1jbj s ASN 178 CO 0.23 -1.55 2.21 -0.81 -2.57 0.00 0.00 177.10 174.61 1jbj n PRO 179 N -3.00 1.32 -2.67 -0.60 -0.04 -1.25 -4.33 135.00 124.42 1jbj n PRO 179 Ca 0.07 0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 1jbj n PRO 179 Cb 0.59 -2.71 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jbj s LEU 180 N 7.78 4.00 -0.91 1.53 2.96 0.44 -4.67 118.68 129.80 1jbj s LEU 180 Ca 1.07 1.12 -0.19 0.00 -0.22 0.00 0.00 54.13 55.90 1jbj s LEU 180 Cb -0.69 -3.50 0.12 0.00 0.50 0.00 0.00 46.19 42.62 1jbj s LEU 180 CO 0.44 -0.79 1.13 -1.58 -1.32 0.00 0.00 176.35 174.23 1jbj s GLN 181 N 3.45 3.56 -0.58 1.98 2.00 -1.25 -1.67 119.66 127.14 1jbj s GLN 181 Ca 0.44 -1.65 -0.26 0.00 -2.00 0.00 0.00 55.36 51.88 1jbj s GLN 181 Cb -0.13 -4.89 0.04 0.00 0.80 0.00 0.00 33.01 28.83 1jbj s GLN 181 CO 0.12 -1.80 1.08 0.08 -0.50 0.00 0.00 175.29 174.27 1jbj s VAL 182 N 2.92 4.17 -0.19 1.34 1.01 0.43 0.04 120.40 130.11 1jbj s VAL 182 Ca 0.32 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 1jbj s VAL 182 Cb -0.06 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.67 1jbj s VAL 182 CO -0.08 -1.29 -0.12 -0.47 0.00 0.00 0.00 175.10 173.15 1jbj s TYR 183 N 4.54 2.86 -0.38 5.22 6.14 -0.89 -1.51 117.35 133.33 1jbj s TYR 183 Ca 0.36 -1.17 0.01 0.00 0.64 0.00 0.00 57.07 56.91 1jbj s TYR 183 Cb -0.10 -1.99 0.12 0.00 0.42 0.00 0.00 41.96 40.41 1jbj s TYR 183 CO 0.21 -0.60 0.18 1.52 0.64 0.00 0.00 175.55 177.50 1jbj s TYR 184 N 1.23 1.77 0.00 4.97 -0.85 -1.25 -2.00 117.35 121.21 1jbj s TYR 184 Ca 0.02 -2.08 0.00 0.00 -0.52 0.00 0.00 57.07 54.49 1jbj s TYR 184 Cb -0.14 -1.73 0.00 0.00 0.38 0.00 0.00 41.96 40.46 1jbj s TYR 184 CO -0.05 -0.83 0.00 -2.13 -1.52 0.00 0.00 175.55 171.02 1jbj n ARG 185 N 4.12 0.00 0.00 -3.49 0.63 -1.22 -4.80 116.66 111.90 1jbj n ARG 185 Ca 0.05 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.09 1jbj n ARG 185 Cb 0.38 0.00 0.69 0.00 0.45 0.00 0.00 32.46 33.98 1jbj n ARG 185 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79