#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbj s ASP 2 N 0.00 2.80 0.30 -2.24 1.11 -1.26 -5.05 116.67 112.33 1jbj s ASP 2 Ca 0.00 -3.33 0.00 0.00 0.18 0.00 0.00 52.55 49.40 1jbj s ASP 2 Cb 0.00 -0.90 0.00 0.00 1.07 0.00 0.00 42.92 43.09 1jbj s ASP 2 CO 0.00 -0.14 0.00 0.00 1.18 0.00 0.00 175.17 176.21 1jbj n ALA 3 N 2.56 -2.18 -1.77 5.23 0.00 -1.26 -4.87 120.51 118.22 1jbj n ALA 3 Ca 0.25 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.70 1jbj n ALA 3 Cb 0.42 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.58 1jbj n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jbj n GLU 4 N 0.56 2.26 -1.76 0.00 0.28 -1.25 -4.93 120.64 115.81 1jbj n GLU 4 Ca 0.00 0.81 -0.31 0.00 -0.16 0.00 0.00 57.16 57.49 1jbj n GLU 4 Cb 0.00 -2.65 0.05 0.00 1.43 0.00 0.00 31.44 30.27 1jbj n GLU 4 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1jbj n ASN 5 N -0.22 6.50 -4.97 -1.84 2.85 -1.26 -4.77 115.26 111.56 1jbj n ASN 5 Ca 0.05 -3.78 -0.21 0.00 -0.11 0.00 0.00 54.58 50.53 1jbj n ASN 5 Cb 0.41 -0.74 0.02 0.00 1.24 0.00 0.00 39.78 40.71 1jbj n ASN 5 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1jbj s ILE 6 N -4.87 2.26 0.68 -1.44 -1.09 -1.26 -5.12 121.20 110.35 1jbj s ILE 6 Ca 0.57 -1.18 -0.09 0.00 -2.23 0.00 0.00 60.65 57.72 1jbj s ILE 6 Cb 0.46 -2.44 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1jbj s ILE 6 CO -0.08 0.00 1.03 -1.83 -1.23 0.00 0.00 174.94 172.83 1jbj s GLU 7 N -4.42 2.67 0.38 2.79 -1.05 -1.26 -4.76 118.70 113.05 1jbj s GLU 7 Ca 0.51 0.15 -0.27 0.00 -0.15 0.00 0.00 54.97 55.21 1jbj s GLU 7 Cb -0.05 -2.12 -0.10 0.00 -0.44 0.00 0.00 34.13 31.42 1jbj s GLU 7 CO 0.32 -1.02 1.38 0.71 0.95 0.00 0.00 175.26 177.60 1jbj s TYR 8 N -3.24 2.77 -0.25 4.83 1.51 -1.26 -4.86 117.35 116.85 1jbj s TYR 8 Ca 0.57 1.32 -0.07 0.00 -1.01 0.00 0.00 57.07 57.88 1jbj s TYR 8 Cb -0.11 -3.82 -0.02 0.00 -0.11 0.00 0.00 41.96 37.90 1jbj s TYR 8 CO 0.48 -2.41 0.05 0.15 -1.11 0.00 0.00 175.55 172.71 1jbj s LYS 9 N -2.09 3.57 -0.03 -0.62 1.02 -1.05 -4.86 119.74 115.68 1jbj s LYS 9 Ca 0.54 -0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.06 1jbj s LYS 9 Cb -0.42 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1jbj s LYS 9 CO 0.56 -0.21 -0.21 0.08 -0.92 0.00 0.00 175.35 174.65 1jbj s VAL 10 N 1.59 2.53 -0.20 3.17 1.01 -1.25 0.11 120.40 127.35 1jbj s VAL 10 Ca 0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1jbj s VAL 10 Cb -0.15 -1.94 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1jbj s VAL 10 CO 0.02 0.58 0.46 -0.44 0.00 0.00 0.00 175.10 175.72 1jbj s SER 11 N -0.70 -0.51 -0.17 3.32 0.01 -0.73 -4.95 113.70 109.98 1jbj s SER 11 Ca 0.11 1.04 -0.26 0.00 1.31 0.00 0.00 55.95 58.15 1jbj s SER 11 Cb -0.10 1.15 -0.01 0.00 0.21 0.00 0.00 66.02 67.26 1jbj s SER 11 CO -0.00 -0.21 0.86 -0.63 0.41 0.00 0.00 173.24 173.67 1jbj s ILE 12 N 1.97 4.85 -0.29 1.44 1.09 -1.26 -0.95 121.20 128.05 1jbj s ILE 12 Ca -0.06 1.69 0.02 0.00 -1.10 0.00 0.00 60.65 61.20 1jbj s ILE 12 Cb -0.10 -4.16 0.08 0.00 -1.06 0.00 0.00 42.46 37.22 1jbj s ILE 12 CO -0.14 0.00 -0.01 -0.44 -0.10 0.00 0.00 174.94 174.26 1jbj s SER 13 N 1.17 4.29 -1.07 3.58 0.01 0.61 -4.84 113.70 117.46 1jbj s SER 13 Ca 0.39 -1.62 -0.14 0.00 1.31 0.00 0.00 55.95 55.89 1jbj s SER 13 Cb -0.16 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1jbj s SER 13 CO 0.12 -0.30 0.81 0.61 0.41 0.00 0.00 173.24 174.89 1jbj n GLY 14 N 4.51 -1.08 2.91 3.44 0.00 -1.26 -1.32 105.19 112.40 1jbj n GLY 14 Ca -0.05 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.66 0.00 -4.81 2.61 -1.04 -1.26 -4.87 114.28 101.25 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 0.60 -0.75 -0.16 0.00 -1.82 0.00 0.00 70.33 68.19 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 -2.02 3.21 0.25 8.00 0.01 -0.43 -0.95 113.70 121.77 1jbj s SER 16 Ca 0.00 -0.56 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 1jbj s SER 16 Cb 0.00 -1.46 -0.08 0.00 0.21 0.00 0.00 66.02 64.69 1jbj s SER 16 CO 0.00 0.11 0.63 -0.69 0.41 0.00 0.00 173.24 173.69 1jbj s VAL 17 N 0.66 4.81 -0.27 3.43 1.01 0.27 0.23 120.40 130.53 1jbj s VAL 17 Ca -0.10 0.73 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1jbj s VAL 17 Cb -0.16 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.67 1jbj s VAL 17 CO 0.02 -0.07 0.09 -0.70 0.00 0.00 0.00 175.10 174.44 1jbj s GLU 18 N -2.74 0.53 0.18 2.72 -6.30 -0.13 0.15 118.70 113.12 1jbj s GLU 18 Ca 0.49 -0.74 -0.09 0.00 -2.50 0.00 0.00 54.97 52.12 1jbj s GLU 18 Cb -0.12 -1.77 -0.07 0.00 0.00 0.00 0.00 34.13 32.17 1jbj s GLU 18 CO 0.20 -0.91 0.50 -0.51 0.02 0.00 0.00 175.26 174.56 1jbj s LEU 19 N 1.83 4.23 -0.19 2.70 1.43 0.31 -1.77 118.68 127.22 1jbj s LEU 19 Ca 0.07 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1jbj s LEU 19 Cb -0.17 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1jbj s LEU 19 CO -0.24 0.01 -0.18 -0.89 0.23 0.00 0.00 176.35 175.28 1jbj s THR 20 N -1.68 2.19 0.30 5.49 2.01 0.30 -0.12 115.64 124.13 1jbj s THR 20 Ca 0.43 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 1jbj s THR 20 Cb -0.12 -1.96 -0.10 0.00 0.01 0.00 0.00 72.50 70.33 1jbj s THR 20 CO 0.21 0.48 0.96 0.00 -0.69 0.00 0.00 174.62 175.58 1jbj n PRO 22 N 0.81 0.65 -4.69 0.00 -0.02 -1.26 -4.65 135.00 125.84 1jbj n PRO 22 Ca 0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 1jbj n PRO 22 Cb 0.49 -1.16 -0.16 0.00 -0.02 0.00 0.00 33.50 32.65 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 -1.31 1.75 1.06 2.45 1.43 -1.26 -3.86 118.68 118.94 1jbj s LEU 23 Ca 0.10 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 1jbj s LEU 23 Cb 0.04 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.39 1jbj s LEU 23 CO 0.07 0.07 -0.44 0.47 0.23 0.00 0.00 176.35 176.76 1jbj n ASP 24 N 3.64 -2.62 -4.39 2.29 8.00 -1.26 -4.60 116.55 117.61 1jbj n ASP 24 Ca -0.21 -0.12 -0.45 0.00 0.71 0.00 0.00 54.79 54.72 1jbj n ASP 24 Cb 0.52 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1jbj n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jbj s SER 25 N -1.59 6.47 0.61 -2.24 1.04 -1.26 -4.63 113.70 112.11 1jbj s SER 25 Ca 0.47 -1.93 -0.05 0.00 0.48 0.00 0.00 55.95 54.92 1jbj s SER 25 Cb -0.04 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1jbj s SER 25 CO 0.61 -0.98 0.91 -1.81 0.98 0.00 0.00 173.24 172.95 1jbj s ASP 26 N 3.27 5.35 0.00 7.02 1.11 -1.26 -4.90 116.67 127.26 1jbj s ASP 26 Ca 0.21 0.55 0.00 0.00 0.18 0.00 0.00 52.55 53.48 1jbj s ASP 26 Cb -0.14 -1.45 0.00 0.00 1.07 0.00 0.00 42.92 42.41 1jbj s ASP 26 CO -0.03 -1.21 0.86 -1.84 1.18 0.00 0.00 175.17 174.13 1jbj n GLU 27 N -2.63 0.86 -0.44 8.23 0.28 -1.26 -2.41 120.64 123.26 1jbj n GLU 27 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1jbj n GLU 27 Cb 0.59 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.38 1jbj n GLU 27 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1jbj n ASN 28 N 0.57 0.00 -4.74 -1.84 3.02 -1.26 -5.08 115.26 105.92 1jbj n ASN 28 Ca 0.00 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 1jbj n ASN 28 Cb 0.43 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.55 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 4.53 0.09 3.41 2.96 -1.01 -4.24 118.68 124.42 1jbj s LEU 29 Ca 0.00 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 1jbj s LEU 29 Cb 0.00 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.18 1jbj s LEU 29 CO 0.00 0.04 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.50 1jbj s LYS 30 N -0.41 0.78 0.47 1.98 1.02 -1.05 -2.32 119.74 120.20 1jbj s LYS 30 Ca 0.42 -1.32 0.04 0.00 0.02 0.00 0.00 55.97 55.13 1jbj s LYS 30 Cb -0.23 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1jbj s LYS 30 CO 0.28 -0.11 0.07 -1.58 -0.92 0.00 0.00 175.35 173.09 1jbj s TRP 31 N -3.83 2.16 -0.11 3.18 0.52 -1.13 -2.55 118.94 117.18 1jbj s TRP 31 Ca 0.13 -0.80 -0.08 0.00 0.02 0.00 0.00 56.10 55.37 1jbj s TRP 31 Cb 0.07 -1.75 0.03 0.00 -1.15 0.00 0.00 33.47 30.68 1jbj s TRP 31 CO -0.05 0.23 0.27 -2.00 0.02 0.00 0.00 176.95 175.42 1jbj s GLU 32 N -3.87 0.30 -0.02 4.98 -6.30 -0.06 -2.26 118.70 111.47 1jbj s GLU 32 Ca 0.23 0.43 0.07 0.00 -2.50 0.00 0.00 54.97 53.19 1jbj s GLU 32 Cb 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 34.13 34.24 1jbj s GLU 32 CO 0.12 -0.07 -0.22 0.21 0.02 0.00 0.00 175.26 175.32 1jbj s LYS 33 N 0.44 1.88 -0.44 4.30 2.47 -0.85 -1.80 119.74 125.73 1jbj s LYS 33 Ca -0.02 -0.79 -0.42 0.00 -1.56 0.00 0.00 55.97 53.18 1jbj s LYS 33 Cb -0.04 -1.77 -0.17 0.00 -1.46 0.00 0.00 37.83 34.39 1jbj s LYS 33 CO -0.02 0.45 2.07 0.09 0.16 0.00 0.00 175.35 178.09 1jbj n ASN 34 N 2.63 1.28 0.00 1.43 4.13 -0.95 -1.39 115.26 122.38 1jbj n ASN 34 Ca -0.16 0.69 0.00 0.00 1.68 0.00 0.00 54.58 56.79 1jbj n ASN 34 Cb 0.52 -1.01 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1jbj n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jbj n GLY 35 N 6.66 2.69 3.14 7.41 0.00 -1.26 -5.00 105.19 118.83 1jbj n GLY 35 Ca 0.47 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1jbj n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jbj s GLN 36 N 0.00 0.75 0.42 1.61 -2.07 -0.49 -5.15 119.66 114.73 1jbj s GLN 36 Ca 0.00 -0.98 -0.15 0.00 -1.82 0.00 0.00 55.36 52.41 1jbj s GLN 36 Cb 0.00 -0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 31.29 1jbj s GLN 36 CO 0.00 0.10 0.85 -2.00 -1.32 0.00 0.00 175.29 172.92 1jbj s GLU 37 N -2.14 3.95 -0.39 9.60 2.12 -1.26 -2.01 118.70 128.57 1jbj s GLU 37 Ca -0.01 0.76 -0.06 0.00 0.36 0.00 0.00 54.97 56.02 1jbj s GLU 37 Cb -0.07 -2.30 0.08 0.00 0.26 0.00 0.00 34.13 32.11 1jbj s GLU 37 CO 0.01 -0.05 0.19 -0.51 -0.54 0.00 0.00 175.26 174.36 1jbj s LEU 38 N -3.59 4.94 0.71 2.70 1.43 -0.96 -4.83 118.68 119.08 1jbj s LEU 38 Ca 0.56 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.98 1jbj s LEU 38 Cb -0.10 -1.88 0.09 0.00 0.03 0.00 0.00 46.19 44.33 1jbj s LEU 38 CO 0.25 -0.49 0.99 -2.16 0.23 0.00 0.00 176.35 175.18 1jbj s PRO 39 N 1.29 1.91 -1.54 1.29 0.04 -1.26 -2.82 135.00 133.91 1jbj s PRO 39 Ca 0.03 -0.66 -0.00 0.00 0.04 0.00 0.00 61.00 60.41 1jbj s PRO 39 Cb -0.22 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1jbj s PRO 39 CO -0.01 -1.34 0.02 1.04 0.04 0.00 0.00 177.00 176.76 1jbj n GLN 40 N -2.87 -1.58 -3.39 4.56 3.00 -1.26 -4.94 117.38 110.90 1jbj n GLN 40 Ca 0.11 0.88 -0.28 0.00 -0.01 0.00 0.00 57.00 57.70 1jbj n GLN 40 Cb 0.60 -5.39 -0.07 0.00 0.00 0.00 0.00 30.24 25.38 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 -2.78 2.66 -1.10 -1.09 4.01 -1.26 -4.91 118.16 113.69 1jbj n LYS 41 Ca -0.21 -4.68 -0.21 0.00 -0.51 0.00 0.00 58.31 52.71 1jbj n LYS 41 Cb 0.66 -2.27 0.01 0.00 -0.51 0.00 0.00 35.03 32.92 1jbj n LYS 41 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1jbj n HIS 42 N 0.85 1.62 -4.48 2.13 1.44 -0.98 -3.36 115.22 112.43 1jbj n HIS 42 Ca 0.30 -2.01 -0.29 0.00 -2.01 0.00 0.00 57.72 53.72 1jbj n HIS 42 Cb 0.41 -1.12 -0.13 0.00 0.12 0.00 0.00 29.99 29.26 1jbj n HIS 42 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1jbj s ASP 43 N 0.16 3.18 0.15 4.39 -1.08 -1.26 -4.38 116.67 117.83 1jbj s ASP 43 Ca 0.42 -0.71 -0.03 0.00 -0.52 0.00 0.00 52.55 51.71 1jbj s ASP 43 Cb 0.30 -0.22 -0.02 0.00 -1.46 0.00 0.00 42.92 41.52 1jbj s ASP 43 CO -0.07 0.18 1.37 0.50 0.52 0.00 0.00 175.17 177.67 1jbj h LYS 44 N 4.10 0.43 -4.78 4.34 3.64 -1.82 -3.42 116.57 119.06 1jbj h LYS 44 Ca -0.49 -0.39 -0.68 0.00 -1.27 0.00 0.00 60.65 57.81 1jbj h LYS 44 Cb 1.17 0.10 -0.28 0.00 -0.41 0.00 0.00 32.23 32.80 1jbj h LYS 44 CO 0.40 1.04 -0.64 -3.38 -2.27 0.00 0.00 179.45 174.61 1jbj s HIS 45 N -3.48 3.17 -0.06 1.91 -3.43 -1.26 0.11 115.29 112.25 1jbj s HIS 45 Ca -0.06 -1.19 -0.20 0.00 -0.80 0.00 0.00 55.06 52.81 1jbj s HIS 45 Cb 0.10 -2.23 -0.05 0.00 -1.43 0.00 0.00 32.58 28.97 1jbj s HIS 45 CO 0.85 -0.64 0.57 -1.17 -2.00 0.00 0.00 174.74 172.35 1jbj s LEU 46 N 1.45 4.34 -0.04 5.38 2.96 0.83 -4.84 118.68 128.76 1jbj s LEU 46 Ca 0.01 1.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.95 1jbj s LEU 46 Cb -0.18 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1jbj s LEU 46 CO 0.02 0.02 0.01 -0.69 -1.32 0.00 0.00 176.35 174.38 1jbj s VAL 47 N 0.33 4.27 -0.44 1.68 1.01 -1.26 0.11 120.40 126.11 1jbj s VAL 47 Ca 0.30 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1jbj s VAL 47 Cb -0.17 -2.86 0.12 0.00 0.00 0.00 0.00 36.38 33.47 1jbj s VAL 47 CO 0.15 0.47 0.17 -0.76 0.00 0.00 0.00 175.10 175.13 1jbj s LEU 48 N -1.29 4.33 -0.06 3.92 1.43 0.40 -4.93 118.68 122.47 1jbj s LEU 48 Ca 0.17 -2.62 -0.30 0.00 -1.03 0.00 0.00 54.13 50.36 1jbj s LEU 48 Cb -0.11 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1jbj s LEU 48 CO 0.07 -0.30 1.00 -1.10 0.23 0.00 0.00 176.35 176.25 1jbj s GLN 49 N 0.27 4.48 -0.38 1.70 -0.21 -1.26 0.94 119.66 125.19 1jbj s GLN 49 Ca 0.14 1.40 -0.00 0.00 0.02 0.00 0.00 55.36 56.92 1jbj s GLN 49 Cb -0.23 -3.51 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1jbj s GLN 49 CO -0.04 -0.21 0.36 -3.47 -2.12 0.00 0.00 175.29 169.81 1jbj n ASP 50 N 4.57 -5.02 -4.75 5.90 2.03 -0.12 -4.96 116.55 114.20 1jbj n ASP 50 Ca 0.08 -0.03 -0.33 0.00 0.52 0.00 0.00 54.79 55.02 1jbj n ASP 50 Cb 0.50 -3.24 0.07 0.00 -0.72 0.00 0.00 41.12 37.72 1jbj n ASP 50 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1jbj s PHE 51 N -2.97 2.36 -0.41 -0.67 5.36 -1.18 -5.03 117.98 115.44 1jbj s PHE 51 Ca 0.00 1.58 0.02 0.00 -0.96 0.00 0.00 56.93 57.57 1jbj s PHE 51 Cb -0.00 -3.30 0.13 0.00 -0.34 0.00 0.00 43.02 39.51 1jbj s PHE 51 CO 0.39 -2.10 0.21 -1.12 -1.46 0.00 0.00 175.22 171.14 1jbj s SER 52 N -2.36 3.69 0.48 6.13 0.01 -1.26 -4.74 113.70 115.66 1jbj s SER 52 Ca 0.70 -2.43 0.17 0.00 1.31 0.00 0.00 55.95 55.70 1jbj s SER 52 Cb -0.24 -0.98 1.16 0.00 0.21 0.00 0.00 66.02 66.17 1jbj s SER 52 CO 0.43 -0.30 2.05 -0.08 0.41 0.00 0.00 173.24 175.76 1jbj h GLU 53 N 6.98 0.00 -0.67 12.44 4.81 -1.77 -2.02 114.58 134.35 1jbj h GLU 53 Ca -0.03 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1jbj h GLU 53 Cb 0.95 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1jbj h GLU 53 CO 0.47 0.12 0.44 0.28 -0.73 0.00 0.00 179.01 179.59 1jbj h VAL 54 N 0.00 1.08 -0.17 0.32 2.07 -1.90 -0.81 116.25 116.84 1jbj h VAL 54 Ca -0.00 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.30 1jbj h VAL 54 Cb 0.23 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1jbj h VAL 54 CO 0.02 0.14 0.35 -0.33 0.02 0.00 0.00 177.57 177.77 1jbj h GLU 55 N 0.78 0.00 -2.84 1.57 5.08 -1.78 -3.45 114.58 113.94 1jbj h GLU 55 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1jbj h GLU 55 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jbj h GLU 55 CO -0.08 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 174.46 1jbj n ASP 56 N -3.28 -1.89 -0.65 1.42 2.03 -0.31 -4.94 116.55 108.93 1jbj n ASP 56 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1jbj n ASP 56 Cb 0.45 -0.86 -0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1jbj n ASP 56 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1jbj n SER 57 N -1.03 -3.93 -3.65 1.67 3.41 -1.26 -4.97 113.62 103.86 1jbj n SER 57 Ca 0.00 0.02 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1jbj n SER 57 Cb 0.47 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.31 1jbj n SER 57 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jbj s GLY 58 N -3.92 0.40 -0.03 5.00 0.00 -0.87 -4.98 107.32 102.91 1jbj s GLY 58 Ca 0.00 3.55 -0.28 0.00 0.00 0.00 0.00 44.72 48.00 1jbj s GLY 58 CO 0.00 2.39 0.88 -0.19 0.00 0.00 0.00 173.10 176.18 1jbj s TYR 59 N 0.67 3.62 0.17 1.90 2.02 -1.26 -2.74 117.35 121.73 1jbj s TYR 59 Ca -0.02 1.53 0.08 0.00 -0.37 0.00 0.00 57.07 58.29 1jbj s TYR 59 Cb -0.04 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 1jbj s TYR 59 CO -0.12 0.01 -0.17 0.71 -1.57 0.00 0.00 175.55 174.40 1jbj s TYR 60 N 1.02 1.79 -0.03 2.71 2.02 -1.01 -2.25 117.35 121.60 1jbj s TYR 60 Ca 0.46 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 1jbj s TYR 60 Cb -0.20 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1jbj s TYR 60 CO 0.24 0.34 0.31 0.54 -1.57 0.00 0.00 175.55 175.40 1jbj s VAL 61 N -2.24 0.05 -0.05 0.71 0.11 -0.75 -1.58 120.40 116.66 1jbj s VAL 61 Ca 0.17 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1jbj s VAL 61 Cb -0.05 -0.58 0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1jbj s VAL 61 CO 0.07 -0.22 0.11 0.00 -3.33 0.00 0.00 175.10 171.73 1jbj s TYR 63 N 1.26 0.25 0.24 0.00 -0.85 -1.06 -4.73 117.35 112.46 1jbj s TYR 63 Ca -0.08 -0.63 0.05 0.00 -0.52 0.00 0.00 57.07 55.90 1jbj s TYR 63 Cb -0.12 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 1jbj s TYR 63 CO -0.05 -1.04 -0.05 0.95 -1.52 0.00 0.00 175.55 173.84 1jbj s THR 64 N -4.00 1.39 0.13 -3.49 -4.23 -0.91 -2.54 115.64 101.99 1jbj s THR 64 Ca 0.20 -2.10 -0.27 0.00 -1.18 0.00 0.00 61.69 58.35 1jbj s THR 64 Cb -0.02 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 1jbj s THR 64 CO 0.08 -0.39 1.61 -0.65 -0.54 0.00 0.00 174.62 174.74 1jbj h PRO 65 N 2.43 -0.43 0.00 3.99 0.11 -2.01 -0.76 132.00 135.34 1jbj h PRO 65 Ca -0.39 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1jbj h PRO 65 Cb 1.22 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jbj h PRO 65 CO 0.65 -0.28 -0.10 0.00 -0.21 0.00 0.00 178.00 178.06 1jbj h ALA 66 N 0.32 1.10 -3.15 -0.75 0.00 -1.97 -3.35 119.26 111.46 1jbj h ALA 66 Ca 0.07 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 54.20 1jbj h ALA 66 Cb 0.55 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 17.96 1jbj h ALA 66 CO -0.29 0.12 -0.36 -1.12 0.00 0.00 0.00 179.25 177.60 1jbj s SER 67 N -5.90 5.23 -0.82 0.00 0.01 -0.29 -4.97 113.70 106.95 1jbj s SER 67 Ca -0.01 -3.02 -0.06 0.00 1.31 0.00 0.00 55.95 54.17 1jbj s SER 67 Cb 0.11 -1.84 -0.02 0.00 0.21 0.00 0.00 66.02 64.48 1jbj s SER 67 CO 0.56 -0.32 2.88 -3.20 0.41 0.00 0.00 173.24 173.57 1jbj n ASN 68 N 3.25 7.09 -4.70 2.44 2.85 -1.21 -2.14 115.26 122.84 1jbj n ASN 68 Ca 0.10 -2.92 -0.35 0.00 -0.11 0.00 0.00 54.58 51.30 1jbj n ASN 68 Cb 0.37 -1.37 -0.09 0.00 1.24 0.00 0.00 39.78 39.93 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 -0.29 2.99 -0.19 1.20 2.20 -1.26 -5.09 119.74 119.30 1jbj s LYS 69 Ca 0.61 -0.42 -0.04 0.00 -0.36 0.00 0.00 55.97 55.76 1jbj s LYS 69 Cb 0.28 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.77 1jbj s LYS 69 CO -0.11 0.70 -0.02 0.54 -0.36 0.00 0.00 175.35 176.09 1jbj s ASN 70 N -1.02 4.69 -0.28 1.43 4.22 -1.26 -4.63 114.94 118.09 1jbj s ASN 70 Ca 0.15 -0.22 -0.02 0.00 -2.14 0.00 0.00 52.86 50.62 1jbj s ASN 70 Cb -0.11 -1.79 0.09 0.00 1.28 0.00 0.00 41.25 40.72 1jbj s ASN 70 CO 0.04 0.08 0.09 -0.89 -2.04 0.00 0.00 177.10 174.38 1jbj s THR 71 N 0.90 0.60 -0.45 0.54 2.01 -1.26 -5.10 115.64 112.88 1jbj s THR 71 Ca 0.00 -1.09 -0.24 0.00 0.31 0.00 0.00 61.69 60.68 1jbj s THR 71 Cb -0.14 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.00 1jbj s THR 71 CO 0.02 -0.59 0.81 -0.31 -0.69 0.00 0.00 174.62 173.85 1jbj s TYR 72 N 1.77 2.98 0.13 4.92 1.51 -1.26 -4.27 117.35 123.13 1jbj s TYR 72 Ca 0.07 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.37 1jbj s TYR 72 Cb -0.17 -3.71 -0.04 0.00 -0.11 0.00 0.00 41.96 37.93 1jbj s TYR 72 CO -0.24 -1.00 0.27 -0.48 -1.11 0.00 0.00 175.55 172.98 1jbj s LEU 73 N 3.37 4.34 -0.27 -1.29 0.05 -0.61 -4.16 118.68 120.11 1jbj s LEU 73 Ca 0.31 0.19 -0.04 0.00 0.05 0.00 0.00 54.13 54.64 1jbj s LEU 73 Cb -0.12 -2.91 0.01 0.00 -2.05 0.00 0.00 46.19 41.12 1jbj s LEU 73 CO 0.23 0.08 0.01 -0.47 -0.55 0.00 0.00 176.35 175.64 1jbj s TYR 74 N -1.70 3.09 -0.28 3.48 5.04 0.29 -2.40 117.35 124.88 1jbj s TYR 74 Ca 0.35 -1.21 -0.07 0.00 -2.44 0.00 0.00 57.07 53.69 1jbj s TYR 74 Cb -0.11 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 40.04 1jbj s TYR 74 CO 0.28 -0.63 0.08 -1.17 -1.34 0.00 0.00 175.55 172.76 1jbj s LEU 75 N 1.42 3.68 -0.20 6.97 0.20 -1.11 -1.41 118.68 128.24 1jbj s LEU 75 Ca 0.02 -0.51 -0.05 0.00 0.69 0.00 0.00 54.13 54.28 1jbj s LEU 75 Cb -0.17 -1.90 0.07 0.00 -0.43 0.00 0.00 46.19 43.77 1jbj s LEU 75 CO -0.01 -0.13 0.10 -0.75 -0.29 0.00 0.00 176.35 175.27 1jbj s LYS 76 N 1.55 0.11 0.38 1.98 2.20 -0.68 -2.06 119.74 123.22 1jbj s LYS 76 Ca 0.04 -0.21 -0.12 0.00 -0.36 0.00 0.00 55.97 55.33 1jbj s LYS 76 Cb -0.16 -1.67 0.04 0.00 -1.51 0.00 0.00 37.83 34.53 1jbj s LYS 76 CO 0.03 -0.76 0.71 0.00 -0.36 0.00 0.00 175.35 174.97 1jbj s ALA 77 N 2.12 -0.31 0.03 3.13 0.00 -1.26 -3.94 121.76 121.53 1jbj s ALA 77 Ca 0.04 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1jbj s ALA 77 Cb -0.16 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1jbj s ALA 77 CO -0.16 -0.93 -0.09 0.50 0.00 0.00 0.00 175.76 175.08 1jbj s ARG 78 N -2.47 0.59 0.03 0.00 3.52 -1.26 -4.03 118.95 115.33 1jbj s ARG 78 Ca 0.20 -0.65 -0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1jbj s ARG 78 Cb -0.04 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.86 1jbj s ARG 78 CO 0.14 0.10 -0.03 0.14 -0.81 0.00 0.00 175.30 174.84 1jbj s VAL 79 N -1.02 0.15 0.00 7.11 -7.23 -1.26 -5.00 120.40 113.15 1jbj s VAL 79 Ca -0.05 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1jbj s VAL 79 Cb -0.08 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.27 1jbj s VAL 79 CO 0.01 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1jbj n GLY 80 N 1.21 0.92 2.49 2.32 0.00 -1.26 -1.88 105.19 108.99 1jbj n GLY 80 Ca -0.21 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1jbj n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 81 N -2.20 7.53 -2.42 1.61 7.64 -1.26 -4.63 113.62 119.89 1jbj n SER 81 Ca 0.00 -2.90 -0.32 0.00 1.01 0.00 0.00 58.87 56.66 1jbj n SER 81 Cb 0.00 -1.48 0.04 0.00 -1.01 0.00 0.00 64.21 61.76 1jbj n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jbj n ALA 82 N 3.09 5.80 -2.75 -0.43 0.00 -0.79 -4.44 120.51 121.00 1jbj n ALA 82 Ca 0.65 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 50.21 1jbj n ALA 82 Cb 0.27 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1jbj n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jbj n ASP 83 N -0.69 1.10 -1.41 0.00 2.03 -1.26 -4.41 116.55 111.90 1jbj n ASP 83 Ca 0.51 -2.04 -0.02 0.00 0.52 0.00 0.00 54.79 53.77 1jbj n ASP 83 Cb 0.64 -0.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.73 1jbj n ASP 83 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jbj n ASP 84 N -0.51 -0.49 -4.58 1.67 8.00 -1.26 -5.16 116.55 114.22 1jbj n ASP 84 Ca 0.03 -1.33 -0.34 0.00 0.71 0.00 0.00 54.79 53.87 1jbj n ASP 84 Cb 0.86 0.81 -0.11 0.00 -0.02 0.00 0.00 41.12 42.66 1jbj n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj s ALA 85 N -1.24 3.17 -0.46 2.24 0.00 -1.26 -5.08 121.76 119.14 1jbj s ALA 85 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 1jbj s ALA 85 Cb -0.01 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.54 1jbj s ALA 85 CO 0.02 0.33 0.82 0.21 0.00 0.00 0.00 175.76 177.15 1jbj s LYS 86 N -0.04 3.43 0.49 0.00 2.20 -1.26 -4.83 119.74 119.72 1jbj s LYS 86 Ca 0.03 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 1jbj s LYS 86 Cb -0.13 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 1jbj s LYS 86 CO 0.02 -1.16 0.00 1.17 -0.36 0.00 0.00 175.35 175.02 1jbj n LYS 87 N 6.85 -4.13 -3.64 4.03 4.81 -1.26 -5.08 118.16 119.75 1jbj n LYS 87 Ca 0.03 3.09 -0.07 0.00 -0.87 0.00 0.00 58.31 60.50 1jbj n LYS 87 Cb 0.48 -3.51 -0.07 0.00 0.02 0.00 0.00 35.03 31.95 1jbj n LYS 87 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jbj s ASP 88 N -3.49 -0.48 -0.24 3.14 -1.08 -1.26 -5.04 116.67 108.22 1jbj s ASP 88 Ca 0.00 0.86 0.13 0.00 -0.52 0.00 0.00 52.55 53.02 1jbj s ASP 88 Cb 0.00 1.00 0.59 0.00 -1.46 0.00 0.00 42.92 43.04 1jbj s ASP 88 CO 0.00 -0.14 1.53 0.00 0.52 0.00 0.00 175.17 177.08 1jbj n ALA 89 N 2.80 3.69 0.00 3.66 0.00 -1.26 -5.01 120.51 124.38 1jbj n ALA 89 Ca -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1jbj n ALA 89 Cb 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.54 0.00 -1.65 0.00 0.00 -1.26 -5.16 120.51 111.90 1jbj n ALA 90 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 1jbj n ALA 90 Cb 1.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.55 1jbj n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jbj s LYS 91 N -2.00 3.00 -0.70 0.00 -2.85 -1.26 -4.89 119.74 111.03 1jbj s LYS 91 Ca 0.00 0.86 -0.26 0.00 -1.00 0.00 0.00 55.97 55.57 1jbj s LYS 91 Cb 0.00 -2.00 -0.11 0.00 -2.06 0.00 0.00 37.83 33.66 1jbj s LYS 91 CO 0.00 -1.03 2.36 0.15 0.10 0.00 0.00 175.35 176.93 1jbj s LYS 92 N -5.10 1.85 0.54 1.78 1.02 -1.26 -4.92 119.74 113.65 1jbj s LYS 92 Ca 0.58 0.71 -0.00 0.00 0.02 0.00 0.00 55.97 57.27 1jbj s LYS 92 Cb -0.13 -4.73 0.02 0.00 -0.52 0.00 0.00 37.83 32.47 1jbj s LYS 92 CO 0.55 -3.97 0.78 0.16 -0.92 0.00 0.00 175.35 171.95 1jbj s ASP 93 N 10.97 5.40 0.61 2.83 -4.77 -1.26 -4.97 116.67 125.48 1jbj s ASP 93 Ca 0.91 0.17 0.00 0.00 -3.30 0.00 0.00 52.55 50.34 1jbj s ASP 93 Cb -0.14 -1.14 0.00 0.00 -1.09 0.00 0.00 42.92 40.55 1jbj s ASP 93 CO 0.13 -1.06 0.00 0.47 0.70 0.00 0.00 175.17 175.41 1jbj n ASP 94 N -2.35 -7.41 -1.65 2.11 8.00 -1.26 -4.91 116.55 109.09 1jbj n ASP 94 Ca 0.06 0.89 -0.01 0.00 0.71 0.00 0.00 54.79 56.44 1jbj n ASP 94 Cb 0.59 -2.50 0.03 0.00 -0.02 0.00 0.00 41.12 39.22 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 -1.30 -0.13 -0.06 2.24 0.00 -1.26 -4.99 120.51 115.02 1jbj n ALA 95 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 1jbj n ALA 95 Cb 0.38 -0.54 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 1jbj n ALA 95 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jbj n LYS 96 N -0.43 1.87 0.20 0.00 2.85 -1.26 -4.51 118.16 116.88 1jbj n LYS 96 Ca -0.07 0.01 0.09 0.00 -1.05 0.00 0.00 58.31 57.29 1jbj n LYS 96 Cb 0.59 -1.29 0.28 0.00 -0.65 0.00 0.00 35.03 33.95 1jbj n LYS 96 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1jbj h LYS 97 N 0.00 0.00 0.00 -1.58 1.79 -1.86 -2.04 116.57 112.88 1jbj h LYS 97 Ca -0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1jbj h LYS 97 Cb 1.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1jbj h LYS 97 CO 0.01 0.21 0.00 -0.25 -1.08 0.00 0.00 179.45 178.34 1jbj n ASP 98 N -3.22 0.00 -2.68 0.86 9.92 -1.26 -4.52 116.55 115.65 1jbj n ASP 98 Ca 0.02 0.88 -0.08 0.00 -0.53 0.00 0.00 54.79 55.08 1jbj n ASP 98 Cb 0.53 -0.38 0.05 0.00 -0.64 0.00 0.00 41.12 40.68 1jbj n ASP 98 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1jbj n ASP 99 N -1.85 0.79 -2.29 -2.24 8.00 -1.26 -5.11 116.55 112.59 1jbj n ASP 99 Ca 0.00 -2.60 -0.10 0.00 0.71 0.00 0.00 54.79 52.80 1jbj n ASP 99 Cb 0.00 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 1jbj n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbj n ALA 100 N -0.23 0.28 -2.36 2.24 0.00 -0.77 -5.07 120.51 114.59 1jbj n ALA 100 Ca 0.06 -0.88 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 1jbj n ALA 100 Cb 0.82 0.64 0.05 0.00 0.00 0.00 0.00 19.45 20.97 1jbj n ALA 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jbj n LYS 101 N -0.35 0.27 -0.06 0.00 4.76 -1.26 -4.78 118.16 116.75 1jbj n LYS 101 Ca -0.00 -1.16 -0.08 0.00 -2.87 0.00 0.00 58.31 54.20 1jbj n LYS 101 Cb 0.27 -0.30 -0.02 0.00 -1.84 0.00 0.00 35.03 33.14 1jbj n LYS 101 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1jbj h LYS 102 N 0.00 0.02 -0.49 1.97 3.11 -1.88 -2.66 116.57 116.64 1jbj h LYS 102 Ca -0.14 -0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.43 1jbj h LYS 102 Cb 0.53 -0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 31.60 1jbj h LYS 102 CO 0.15 0.01 0.03 -0.40 -2.81 0.00 0.00 179.45 176.43 1jbj n ASP 103 N -5.20 2.90 -2.07 4.20 5.75 -1.26 -4.92 116.55 115.95 1jbj n ASP 103 Ca -0.01 -3.77 -0.15 0.00 -0.01 0.00 0.00 54.79 50.84 1jbj n ASP 103 Cb 0.14 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 1jbj n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jbj n GLY 104 N -1.11 0.21 3.24 6.12 0.00 -1.00 -4.94 105.19 107.71 1jbj n GLY 104 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.13 3.83 -0.11 1.61 0.01 -1.26 -4.77 113.70 110.88 1jbj s SER 105 Ca 0.00 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 1jbj s SER 105 Cb 0.00 -1.63 -0.05 0.00 0.21 0.00 0.00 66.02 64.55 1jbj s SER 105 CO 0.00 0.01 1.79 -1.10 0.41 0.00 0.00 173.24 174.34 1jbj s GLN 106 N 1.29 3.92 -0.33 12.44 1.11 -1.26 -4.67 119.66 132.15 1jbj s GLN 106 Ca 0.03 2.10 0.02 0.00 0.01 0.00 0.00 55.36 57.53 1jbj s GLN 106 Cb -0.14 -4.09 0.31 0.00 -1.01 0.00 0.00 33.01 28.08 1jbj s GLN 106 CO -0.06 -1.17 1.36 -2.37 0.01 0.00 0.00 175.29 173.06 1jbj n THR 107 N 6.08 0.00 -1.19 -0.19 5.66 -1.26 -5.02 114.28 118.36 1jbj n THR 107 Ca 0.20 -0.66 -0.29 0.00 -3.05 0.00 0.00 64.05 60.24 1jbj n THR 107 Cb 0.43 1.08 0.09 0.00 -1.55 0.00 0.00 70.33 70.38 1jbj n THR 107 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1jbj n ASN 108 N 0.77 6.71 0.00 1.09 5.15 -1.26 -4.94 115.26 122.78 1jbj n ASN 108 Ca -0.04 -3.60 0.00 0.00 -0.60 0.00 0.00 54.58 50.34 1jbj n ASN 108 Cb 0.74 -0.96 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 1jbj n ASN 108 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1jbj n LYS 109 N -0.72 0.00 -3.81 1.20 4.81 -1.26 -4.67 118.16 113.71 1jbj n LYS 109 Ca 0.56 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.94 1jbj n LYS 109 Cb 0.82 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.87 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 -0.01 -1.38 -0.30 3.14 0.00 -1.26 -5.16 121.76 116.79 1jbj s ALA 110 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1jbj s ALA 110 Cb 0.00 0.72 0.18 0.00 0.00 0.00 0.00 23.12 24.02 1jbj s ALA 110 CO 0.00 -1.04 0.99 0.21 0.00 0.00 0.00 175.76 175.93 1jbj s LYS 111 N -2.98 0.22 -0.26 0.00 2.47 -1.26 -5.05 119.74 112.87 1jbj s LYS 111 Ca 0.15 0.34 0.22 0.00 -1.56 0.00 0.00 55.97 55.12 1jbj s LYS 111 Cb -0.03 0.18 0.50 0.00 -1.46 0.00 0.00 37.83 37.02 1jbj s LYS 111 CO 0.06 -0.29 1.16 0.27 0.16 0.00 0.00 175.35 176.70 1jbj n ASN 112 N 5.38 1.23 -5.00 1.43 6.94 -1.26 -5.09 115.26 118.89 1jbj n ASN 112 Ca -0.02 -2.04 -0.22 0.00 -0.02 0.00 0.00 54.58 52.28 1jbj n ASN 112 Cb 0.55 -0.35 0.05 0.00 -2.36 0.00 0.00 39.78 37.66 1jbj n ASN 112 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1jbj s LEU 113 N -3.74 2.87 0.34 -4.53 1.02 -1.26 -4.74 118.68 108.63 1jbj s LEU 113 Ca 0.25 -1.05 -0.28 0.00 0.02 0.00 0.00 54.13 53.07 1jbj s LEU 113 Cb 0.33 -1.33 -0.09 0.00 0.02 0.00 0.00 46.19 45.12 1jbj s LEU 113 CO -0.05 -1.35 1.18 0.54 0.02 0.00 0.00 176.35 176.69 1jbj s VAL 114 N -2.75 3.15 0.04 -1.59 0.11 -1.26 -4.80 120.40 113.30 1jbj s VAL 114 Ca 0.52 1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 60.65 1jbj s VAL 114 Cb -0.04 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 1jbj s VAL 114 CO 0.33 0.21 -0.02 -1.10 -3.33 0.00 0.00 175.10 171.19 1jbj s GLN 115 N -1.84 0.55 0.02 1.54 -1.52 -1.10 -5.05 119.66 112.26 1jbj s GLN 115 Ca 0.50 -1.05 0.01 0.00 -1.95 0.00 0.00 55.36 52.87 1jbj s GLN 115 Cb -0.34 0.19 -0.01 0.00 -0.22 0.00 0.00 33.01 32.63 1jbj s GLN 115 CO 0.44 -0.10 -0.05 0.14 -0.25 0.00 0.00 175.29 175.46 1jbj s VAL 116 N -3.30 0.34 0.12 1.09 -7.23 -1.26 0.98 120.40 111.14 1jbj s VAL 116 Ca 0.01 -0.66 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1jbj s VAL 116 Cb 0.03 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1jbj s VAL 116 CO -0.08 -0.21 0.36 -1.81 -0.31 0.00 0.00 175.10 173.05 1jbj s ASP 117 N -0.93 6.50 0.00 4.85 1.01 0.33 -4.90 116.67 123.53 1jbj s ASP 117 Ca -0.06 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.78 1jbj s ASP 117 Cb -0.06 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1jbj s ASP 117 CO -0.00 0.09 0.40 0.61 0.21 0.00 0.00 175.17 176.48 1jbj n GLY 118 N 0.26 -1.44 2.60 0.21 0.00 -1.26 -1.93 105.19 103.63 1jbj n GLY 118 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1jbj n GLY 118 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jbj n SER 119 N 0.00 -2.16 -1.66 1.61 7.64 -1.26 -4.75 113.62 113.04 1jbj n SER 119 Ca 0.00 -2.74 0.09 0.00 1.01 0.00 0.00 58.87 57.22 1jbj n SER 119 Cb 0.52 0.81 0.37 0.00 -1.01 0.00 0.00 64.21 64.90 1jbj n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jbj n ARG 120 N 2.71 4.04 0.00 1.43 1.74 -1.26 -4.93 116.66 120.39 1jbj n ARG 120 Ca 0.22 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 54.33 1jbj n ARG 120 Cb 0.54 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1jbj n ARG 120 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jbj n GLY 121 N 0.96 3.04 0.01 -0.13 0.00 -1.26 -4.67 105.19 103.14 1jbj n GLY 121 Ca 0.26 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 1.41 0.49 0.00 1.61 9.92 -1.26 -4.98 116.55 123.74 1jbj n ASP 122 Ca 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.84 1jbj n ASP 122 Cb 0.00 1.42 0.00 0.00 -0.64 0.00 0.00 41.12 41.90 1jbj n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jbj n GLY 123 N 1.37 1.99 3.63 0.44 0.00 -1.26 -4.97 105.19 106.38 1jbj n GLY 123 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1jbj n GLY 123 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jbj s SER 124 N -2.00 6.67 -0.16 1.61 0.15 -1.26 -1.40 113.70 117.31 1jbj s SER 124 Ca 0.00 0.81 -0.29 0.00 0.70 0.00 0.00 55.95 57.16 1jbj s SER 124 Cb 0.00 -2.37 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1jbj s SER 124 CO 0.00 -0.44 1.01 -0.69 1.20 0.00 0.00 173.24 174.32 1jbj s VAL 125 N 2.65 4.75 -0.33 4.45 1.01 0.56 -4.17 120.40 129.32 1jbj s VAL 125 Ca 0.29 2.02 0.03 0.00 0.00 0.00 0.00 61.98 64.32 1jbj s VAL 125 Cb -0.15 -4.31 0.09 0.00 0.00 0.00 0.00 36.38 32.01 1jbj s VAL 125 CO 0.08 -0.07 0.03 -0.76 0.00 0.00 0.00 175.10 174.39 1jbj s LEU 126 N 2.48 4.51 -0.25 3.92 1.02 -0.81 -2.14 118.68 127.40 1jbj s LEU 126 Ca 0.46 -1.93 -0.29 0.00 0.02 0.00 0.00 54.13 52.39 1jbj s LEU 126 Cb -0.17 -1.64 0.01 0.00 0.02 0.00 0.00 46.19 44.40 1jbj s LEU 126 CO 0.13 -0.35 1.14 -0.22 0.02 0.00 0.00 176.35 177.06 1jbj s LEU 127 N 0.99 4.04 -0.11 1.79 0.20 -0.29 0.12 118.68 125.43 1jbj s LEU 127 Ca 0.06 1.33 -0.05 0.00 0.69 0.00 0.00 54.13 56.15 1jbj s LEU 127 Cb -0.20 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 1jbj s LEU 127 CO -0.07 -0.81 0.09 0.42 -0.29 0.00 0.00 176.35 175.70 1jbj s THR 128 N 3.57 5.10 0.00 3.68 -4.23 0.28 0.23 115.64 124.26 1jbj s THR 128 Ca 0.49 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1jbj s THR 128 Cb -0.16 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1jbj s THR 128 CO 0.13 0.61 0.00 0.00 -0.54 0.00 0.00 174.62 174.82 1jbj n GLY 130 N 0.00 2.68 4.07 0.00 0.00 -1.26 -4.31 105.19 106.37 1jbj n GLY 130 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.44 -1.00 0.99 -0.00 -1.26 0.21 117.00 115.50 1jbj n LEU 131 Ca 0.00 -1.28 -0.11 0.00 -0.00 0.00 0.00 56.01 54.61 1jbj n LEU 131 Cb 0.00 -1.67 -0.03 0.00 -0.00 0.00 0.00 43.42 41.72 1jbj n LEU 131 CO 0.00 0.78 -0.12 0.35 -0.00 0.00 0.00 177.39 178.40 1jbj n THR 132 N -4.99 -0.18 -2.90 1.47 -2.24 -1.26 -5.00 114.28 99.19 1jbj n THR 132 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 1jbj n THR 132 Cb 0.57 -1.47 -0.06 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.75 7.36 0.15 3.42 1.01 0.13 -4.93 116.67 121.05 1jbj s ASP 133 Ca 0.00 1.72 0.22 0.00 0.71 0.00 0.00 52.55 55.19 1jbj s ASP 133 Cb 0.00 -2.53 0.87 0.00 1.01 0.00 0.00 42.92 42.27 1jbj s ASP 133 CO 0.00 0.08 1.67 0.29 0.21 0.00 0.00 175.17 177.41 1jbj n LYS 134 N 1.07 0.13 -4.25 8.23 5.02 -1.26 -4.61 118.16 122.48 1jbj n LYS 134 Ca -0.02 0.30 -0.20 0.00 -2.02 0.00 0.00 58.31 56.37 1jbj n LYS 134 Cb 0.49 -1.71 -0.16 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.16 0.63 -0.04 -0.18 2.01 -1.26 -5.01 115.64 108.64 1jbj s THR 135 Ca 0.07 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.84 1jbj s THR 135 Cb 0.11 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1jbj s THR 135 CO 0.39 0.24 0.11 -0.63 -0.69 0.00 0.00 174.62 174.04 1jbj s ILE 136 N 0.76 -0.02 -0.12 1.82 1.01 -1.26 -1.46 121.20 121.93 1jbj s ILE 136 Ca -0.11 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1jbj s ILE 136 Cb -0.14 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.22 1jbj s ILE 136 CO 0.01 0.03 0.12 -0.75 0.00 0.00 0.00 174.94 174.35 1jbj s LYS 137 N 0.41 0.04 0.14 2.79 2.20 -0.89 -4.97 119.74 119.47 1jbj s LYS 137 Ca -0.03 0.24 -0.10 0.00 -0.36 0.00 0.00 55.97 55.72 1jbj s LYS 137 Cb -0.04 -1.01 -0.06 0.00 -1.51 0.00 0.00 37.83 35.20 1jbj s LYS 137 CO -0.02 -0.50 0.47 -0.46 -0.36 0.00 0.00 175.35 174.49 1jbj s TRP 138 N 2.22 3.54 0.11 4.03 -0.11 -1.26 -1.12 118.94 126.34 1jbj s TRP 138 Ca 0.04 0.86 0.04 0.00 1.22 0.00 0.00 56.10 58.25 1jbj s TRP 138 Cb -0.14 -2.22 -0.04 0.00 -1.50 0.00 0.00 33.47 29.57 1jbj s TRP 138 CO -0.07 0.43 -0.10 -0.51 -4.62 0.00 0.00 176.95 172.07 1jbj s LEU 139 N -2.22 2.43 -0.23 5.86 1.02 0.17 -2.59 118.68 123.11 1jbj s LEU 139 Ca 0.39 -0.85 0.02 0.00 0.02 0.00 0.00 54.13 53.70 1jbj s LEU 139 Cb -0.13 -0.32 0.05 0.00 0.02 0.00 0.00 46.19 45.81 1jbj s LEU 139 CO 0.20 -0.27 -0.11 -0.75 0.02 0.00 0.00 176.35 175.44 1jbj s LYS 140 N -2.97 2.17 -1.45 1.70 2.20 0.31 -2.07 119.74 119.62 1jbj s LYS 140 Ca 0.08 -1.10 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 1jbj s LYS 140 Cb -0.02 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1jbj s LYS 140 CO 0.00 -0.50 0.00 -0.25 -0.36 0.00 0.00 175.35 174.24 1jbj n ASP 141 N 4.56 -4.87 0.00 1.43 8.00 -1.26 -0.82 116.55 123.59 1jbj n ASP 141 Ca -0.15 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1jbj n ASP 141 Cb 0.44 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 37.43 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 -0.86 0.77 3.35 0.44 0.00 -1.26 -5.08 105.19 102.56 1jbj n GLY 142 Ca -0.19 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.30 3.16 -0.08 1.61 0.15 0.00 -5.10 113.70 111.14 1jbj s SER 143 Ca 0.00 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.71 1jbj s SER 143 Cb 0.00 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1jbj s SER 143 CO 0.00 0.22 1.11 -0.63 1.20 0.00 0.00 173.24 175.14 1jbj s ILE 144 N -0.90 4.51 -0.23 6.45 1.09 -1.26 0.11 121.20 130.97 1jbj s ILE 144 Ca 0.12 1.80 -0.04 0.00 -1.10 0.00 0.00 60.65 61.43 1jbj s ILE 144 Cb -0.10 -4.16 0.08 0.00 -1.06 0.00 0.00 42.46 37.22 1jbj s ILE 144 CO 0.03 -0.01 0.10 -0.51 -0.10 0.00 0.00 174.94 174.46 1jbj s ILE 145 N 2.16 0.06 0.37 2.92 2.07 -1.07 -4.89 121.20 122.82 1jbj s ILE 145 Ca 0.52 -0.51 0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1jbj s ILE 145 Cb -0.21 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.52 1jbj s ILE 145 CO 0.20 -0.46 0.53 -0.44 -1.91 0.00 0.00 174.94 172.85 1jbj s SER 146 N 2.06 5.94 0.70 4.50 0.01 -1.26 -4.46 113.70 121.18 1jbj s SER 146 Ca 0.05 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.23 1jbj s SER 146 Cb -0.16 -1.35 0.08 0.00 0.21 0.00 0.00 66.02 64.80 1jbj s SER 146 CO -0.20 -0.50 0.99 -2.16 0.41 0.00 0.00 173.24 171.78 1jbj s PRO 147 N -4.28 2.04 -0.29 12.44 0.04 -1.26 -5.08 135.00 138.60 1jbj s PRO 147 Ca 0.46 -0.53 0.02 0.00 0.04 0.00 0.00 61.00 60.99 1jbj s PRO 147 Cb -0.10 -2.24 0.07 0.00 0.04 0.00 0.00 34.50 32.28 1jbj s PRO 147 CO 0.33 -1.27 -0.04 -1.17 0.04 0.00 0.00 177.00 174.89 1jbj s LEU 148 N -5.19 3.92 -1.21 -3.56 1.98 -1.26 -4.66 118.68 108.71 1jbj s LEU 148 Ca 0.62 -1.58 -0.00 0.00 -2.89 0.00 0.00 54.13 50.27 1jbj s LEU 148 Cb -0.09 -1.61 0.00 0.00 0.66 0.00 0.00 46.19 45.15 1jbj s LEU 148 CO 0.44 -0.26 0.06 -3.20 -1.89 0.00 0.00 176.35 171.49 1jbj n ASN 149 N 4.43 -4.44 -3.76 3.68 5.15 -1.26 -5.00 115.26 114.06 1jbj n ASN 149 Ca -0.09 -0.04 -0.13 0.00 -0.60 0.00 0.00 54.58 53.72 1jbj n ASN 149 Cb 0.42 -3.56 -0.13 0.00 -0.53 0.00 0.00 39.78 35.98 1jbj n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jbj s ALA 150 N -2.75 -0.45 -0.35 5.20 0.00 -1.26 -5.05 121.76 117.09 1jbj s ALA 150 Ca 0.03 0.76 0.10 0.00 0.00 0.00 0.00 51.96 52.85 1jbj s ALA 150 Cb -0.01 -0.48 0.36 0.00 0.00 0.00 0.00 23.12 22.99 1jbj s ALA 150 CO 0.04 -0.15 1.37 -2.37 0.00 0.00 0.00 175.76 174.65 1jbj n THR 151 N 3.80 0.00 -1.75 0.00 5.66 -1.26 -4.64 114.28 116.10 1jbj n THR 151 Ca -0.21 -1.18 -0.38 0.00 -3.05 0.00 0.00 64.05 59.23 1jbj n THR 151 Cb 0.55 0.95 0.04 0.00 -1.55 0.00 0.00 70.33 70.32 1jbj n THR 151 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1jbj n LYS 152 N -0.94 2.70 -1.44 1.09 2.85 -1.26 -4.77 118.16 116.38 1jbj n LYS 152 Ca -0.10 -3.36 -0.16 0.00 -1.05 0.00 0.00 58.31 53.64 1jbj n LYS 152 Cb 0.83 -2.25 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 1jbj n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1jbj n ASN 153 N -0.51 -4.75 -4.80 -5.58 6.94 -1.26 -4.93 115.26 100.36 1jbj n ASN 153 Ca 0.55 0.39 -0.31 0.00 -0.02 0.00 0.00 54.58 55.20 1jbj n ASN 153 Cb 0.35 -4.09 -0.06 0.00 -2.36 0.00 0.00 39.78 33.62 1jbj n ASN 153 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1jbj s THR 154 N -2.32 1.37 -0.04 5.53 -4.23 -1.26 -2.21 115.64 112.49 1jbj s THR 154 Ca 0.00 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 1jbj s THR 154 Cb 0.00 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1jbj s THR 154 CO 0.00 0.00 -0.05 0.86 -0.54 0.00 0.00 174.62 174.89 1jbj s TRP 155 N -2.83 0.70 -0.79 3.99 -0.00 0.61 -4.83 118.94 115.79 1jbj s TRP 155 Ca 0.16 -0.18 -0.26 0.00 -0.00 0.00 0.00 56.10 55.82 1jbj s TRP 155 Cb 0.01 -0.61 0.03 0.00 -0.00 0.00 0.00 33.47 32.90 1jbj s TRP 155 CO 0.09 -0.16 1.32 1.21 -0.00 0.00 0.00 176.95 179.41 1jbj s ASN 156 N 0.76 6.21 0.02 5.86 2.47 -1.26 -1.13 114.94 127.87 1jbj s ASN 156 Ca -0.10 -0.61 0.13 0.00 0.42 0.00 0.00 52.86 52.70 1jbj s ASN 156 Cb -0.13 -2.56 -0.18 0.00 -1.45 0.00 0.00 41.25 36.92 1jbj s ASN 156 CO 0.00 -1.79 0.81 -0.07 -3.72 0.00 0.00 177.10 172.33 1jbj h LEU 157 N 13.03 0.00 0.00 3.21 3.38 -1.82 -3.50 115.31 129.62 1jbj h LEU 157 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1jbj h LEU 157 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1jbj h LEU 157 CO 1.30 0.84 0.00 0.61 0.09 0.00 0.00 178.44 181.28 1jbj n GLY 158 N 1.47 0.29 3.50 0.83 0.00 -1.25 -3.98 105.19 106.04 1jbj n GLY 158 Ca -0.12 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 6.12 0.53 1.61 3.84 -1.26 -0.32 114.94 121.45 1jbj s ASN 159 Ca 0.00 -0.59 0.42 0.00 0.21 0.00 0.00 52.86 52.91 1jbj s ASN 159 Cb 0.00 -2.17 1.62 0.00 -0.55 0.00 0.00 41.25 40.15 1jbj s ASN 159 CO 0.00 -0.38 1.64 -0.55 -2.79 0.00 0.00 177.10 175.02 1jbj h ASN 160 N 8.57 0.06 -0.59 -4.21 7.08 -1.60 1.11 115.58 126.00 1jbj h ASN 160 Ca -0.29 0.03 0.02 0.00 -3.08 0.00 0.00 56.30 52.98 1jbj h ASN 160 Cb 1.14 0.03 -0.03 0.00 -2.08 0.00 0.00 38.32 37.37 1jbj h ASN 160 CO 0.70 -0.04 0.39 0.00 -2.08 0.00 0.00 177.43 176.40 1jbj h ALA 161 N 1.24 1.62 0.00 4.14 0.00 -1.88 -3.36 119.26 121.02 1jbj h ALA 161 Ca 0.83 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 55.46 1jbj h ALA 161 Cb 3.14 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 20.56 1jbj h ALA 161 CO -0.11 0.34 -0.42 1.17 0.00 0.00 0.00 179.25 180.23 1jbj n LYS 162 N -4.45 1.03 -4.12 0.00 3.00 0.33 -4.99 118.16 108.97 1jbj n LYS 162 Ca 0.06 -1.90 -0.27 0.00 -0.00 0.00 0.00 58.31 56.19 1jbj n LYS 162 Cb 0.08 -0.90 -0.07 0.00 0.00 0.00 0.00 35.03 34.14 1jbj n LYS 162 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1jbj s ASP 163 N -1.25 5.22 0.23 3.14 -4.77 0.15 -4.63 116.67 114.75 1jbj s ASP 163 Ca 0.22 -0.20 -0.30 0.00 -3.30 0.00 0.00 52.55 48.97 1jbj s ASP 163 Cb 0.30 -1.28 -0.09 0.00 -1.09 0.00 0.00 42.92 40.76 1jbj s ASP 163 CO -0.06 0.11 1.32 -2.16 0.70 0.00 0.00 175.17 175.08 1jbj s PRO 164 N -2.84 4.37 0.41 2.11 0.04 -1.26 -4.77 135.00 133.07 1jbj s PRO 164 Ca 0.29 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.51 1jbj s PRO 164 Cb -0.10 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1jbj s PRO 164 CO 0.21 -0.25 0.26 -0.98 0.04 0.00 0.00 177.00 176.27 1jbj s ARG 165 N -0.40 2.37 0.00 4.56 1.04 -1.26 -4.91 118.95 120.34 1jbj s ARG 165 Ca 0.56 -1.69 0.00 0.00 -1.04 0.00 0.00 55.73 53.56 1jbj s ARG 165 Cb -0.38 -2.16 0.00 0.00 -2.04 0.00 0.00 34.95 30.37 1jbj s ARG 165 CO 0.41 -0.12 0.00 0.41 -0.04 0.00 0.00 175.30 175.96 1jbj n GLY 166 N -1.35 -0.02 3.67 3.88 0.00 -1.04 -5.03 105.19 105.30 1jbj n GLY 166 Ca 0.01 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1jbj n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jbj s THR 167 N -3.18 4.33 -0.06 2.61 2.01 -1.26 -0.97 115.64 119.13 1jbj s THR 167 Ca 0.00 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1jbj s THR 167 Cb 0.00 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.71 1jbj s THR 167 CO 0.00 0.59 0.02 -0.31 -0.69 0.00 0.00 174.62 174.23 1jbj s TYR 168 N -0.76 0.44 -0.12 4.92 1.51 -0.14 -4.39 117.35 118.81 1jbj s TYR 168 Ca 0.12 -0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.10 1jbj s TYR 168 Cb -0.12 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1jbj s TYR 168 CO 0.02 -0.27 0.13 1.14 -1.11 0.00 0.00 175.55 175.47 1jbj s GLN 169 N 1.97 3.44 0.07 -0.62 -2.07 -0.88 0.14 119.66 121.71 1jbj s GLN 169 Ca 0.04 -0.15 0.07 0.00 -1.82 0.00 0.00 55.36 53.50 1jbj s GLN 169 Cb -0.12 -3.18 -0.03 0.00 -1.09 0.00 0.00 33.01 28.59 1jbj s GLN 169 CO -0.04 0.76 -0.18 0.00 -1.32 0.00 0.00 175.29 174.50 1jbj s GLN 171 N -1.53 2.59 0.30 0.00 -2.07 -0.28 -0.58 119.66 118.09 1jbj s GLN 171 Ca 0.04 -0.99 0.02 0.00 -1.82 0.00 0.00 55.36 52.62 1jbj s GLN 171 Cb -0.09 -2.63 -0.03 0.00 -1.09 0.00 0.00 33.01 29.16 1jbj s GLN 171 CO 0.03 -0.36 0.46 0.20 -1.32 0.00 0.00 175.29 174.30 1jbj s GLY 172 N 1.25 1.30 0.08 2.60 0.00 0.37 -2.09 107.32 110.82 1jbj s GLY 172 Ca -0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 44.72 43.52 1jbj s GLY 172 CO -0.10 -1.02 0.75 0.00 0.00 0.00 0.00 173.10 172.74 1jbj n ALA 173 N -1.59 -0.30 -0.56 3.20 0.00 -0.54 -1.90 120.51 118.82 1jbj n ALA 173 Ca -0.07 0.42 0.01 0.00 0.00 0.00 0.00 53.44 53.80 1jbj n ALA 173 Cb 0.56 -0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1jbj n ALA 173 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1jbj n LYS 174 N -4.61 1.68 -3.63 0.00 3.00 -1.26 -5.01 118.16 108.33 1jbj n LYS 174 Ca 0.01 -1.27 -0.15 0.00 -0.00 0.00 0.00 58.31 56.91 1jbj n LYS 174 Cb 0.13 -0.86 -0.13 0.00 0.00 0.00 0.00 35.03 34.16 1jbj n LYS 174 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1jbj s GLU 175 N -0.82 0.14 -0.25 1.64 0.41 -0.80 -5.13 118.70 113.89 1jbj s GLU 175 Ca 0.03 0.62 -0.04 0.00 -0.41 0.00 0.00 54.97 55.17 1jbj s GLU 175 Cb 0.03 -0.29 0.01 0.00 -1.78 0.00 0.00 34.13 32.10 1jbj s GLU 175 CO 0.00 -0.36 -0.00 0.99 -0.49 0.00 0.00 175.26 175.40 1jbj s THR 176 N 2.38 3.46 0.55 3.63 2.01 -1.26 0.14 115.64 126.54 1jbj s THR 176 Ca 0.03 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 1jbj s THR 176 Cb -0.13 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 1jbj s THR 176 CO -0.09 0.24 1.00 -0.44 -0.69 0.00 0.00 174.62 174.64 1jbj s SER 177 N 1.44 6.50 0.61 3.53 0.01 0.25 -4.91 113.70 121.14 1jbj s SER 177 Ca 0.03 1.52 -0.09 0.00 1.31 0.00 0.00 55.95 58.72 1jbj s SER 177 Cb -0.16 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 1jbj s SER 177 CO -0.01 -0.67 0.97 0.54 0.41 0.00 0.00 173.24 174.47 1jbj s ASN 178 N -3.42 5.89 -0.42 2.44 4.22 -1.26 -2.93 114.94 119.46 1jbj s ASN 178 Ca 0.58 1.09 -0.39 0.00 -2.14 0.00 0.00 52.86 52.00 1jbj s ASN 178 Cb -0.10 -2.12 -0.15 0.00 1.28 0.00 0.00 41.25 40.16 1jbj s ASN 178 CO 0.38 -0.98 2.18 -2.65 -2.04 0.00 0.00 177.10 173.99 1jbj n PRO 179 N -2.69 0.60 -2.66 3.55 -0.02 -1.26 -4.57 135.00 127.96 1jbj n PRO 179 Ca 0.05 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 1jbj n PRO 179 Cb 0.56 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1jbj n PRO 179 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jbj s LEU 180 N 6.81 4.22 -0.91 2.45 2.96 0.38 -4.57 118.68 130.01 1jbj s LEU 180 Ca 1.14 1.52 -0.21 0.00 -0.22 0.00 0.00 54.13 56.37 1jbj s LEU 180 Cb -1.13 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 42.10 1jbj s LEU 180 CO 0.56 -0.51 1.21 -1.58 -1.32 0.00 0.00 176.35 174.71 1jbj s GLN 181 N 2.30 3.52 -0.63 1.98 -0.44 -1.26 -0.97 119.66 124.16 1jbj s GLN 181 Ca 0.48 -1.39 -0.20 0.00 -2.50 0.00 0.00 55.36 51.75 1jbj s GLN 181 Cb -0.18 -4.93 0.10 0.00 -1.64 0.00 0.00 33.01 26.36 1jbj s GLN 181 CO 0.16 -1.92 0.80 0.08 0.50 0.00 0.00 175.29 174.91 1jbj s VAL 182 N 3.66 4.68 -0.54 1.34 1.01 -0.14 0.10 120.40 130.51 1jbj s VAL 182 Ca 0.35 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1jbj s VAL 182 Cb -0.05 -4.56 0.09 0.00 0.00 0.00 0.00 36.38 31.85 1jbj s VAL 182 CO -0.06 -1.25 0.60 -0.47 0.00 0.00 0.00 175.10 173.92 1jbj s TYR 183 N 3.05 3.09 -0.28 5.22 5.04 -0.50 -2.49 117.35 130.48 1jbj s TYR 183 Ca 0.16 -0.87 0.08 0.00 -2.44 0.00 0.00 57.07 54.00 1jbj s TYR 183 Cb -0.21 -3.69 0.45 0.00 0.35 0.00 0.00 41.96 38.86 1jbj s TYR 183 CO 0.06 -1.09 1.25 0.66 -1.34 0.00 0.00 175.55 175.09 1jbj n TYR 184 N 5.94 1.86 -2.27 4.97 4.02 -1.25 -1.69 117.16 128.73 1jbj n TYR 184 Ca -0.10 -2.00 -0.11 0.00 -0.01 0.00 0.00 57.90 55.68 1jbj n TYR 184 Cb 0.43 -0.37 0.06 0.00 -0.02 0.00 0.00 39.34 39.44 1jbj n TYR 184 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jbj n ARG 185 N -0.86 0.18 0.00 -0.72 1.74 -1.26 -4.57 116.66 111.17 1jbj n ARG 185 Ca 0.37 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 1jbj n ARG 185 Cb 0.88 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 1jbj n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11