#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 s LEU 30 N 0.00 4.34 0.16 0.99 2.34 -1.26 -4.92 118.68 120.34 2jx9 s LEU 30 Ca 0.00 2.32 -0.34 0.00 0.06 0.00 0.00 54.13 56.18 2jx9 s LEU 30 Cb 0.00 -3.55 -0.15 0.00 -0.56 0.00 0.00 46.19 41.93 2jx9 s LEU 30 CO 0.00 -0.86 1.37 -2.65 -1.06 0.00 0.00 176.35 173.16 2jx9 n PRO 31 N 5.99 1.63 0.00 1.48 -0.02 -1.26 -4.85 135.00 137.97 2jx9 n PRO 31 Ca 0.16 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 2jx9 n PRO 31 Cb 0.42 -2.23 0.58 0.00 -0.02 0.00 0.00 33.50 32.25 2jx9 n PRO 31 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2jx9 n PHE 32 N 2.35 0.00 0.00 6.00 -1.74 -1.26 -4.88 117.46 117.93 2jx9 n PHE 32 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.04 2jx9 n PHE 32 Cb 0.26 -0.47 0.00 0.00 1.52 0.00 0.00 39.48 40.79 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2jx9 n GLY 33 N 1.19 -0.33 3.40 4.97 0.00 -1.26 -4.11 105.19 109.06 2jx9 n GLY 33 Ca 0.07 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 2jx9 n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jx9 s LEU 34 N 0.00 -1.27 0.55 0.99 2.96 -1.26 -5.13 118.68 115.52 2jx9 s LEU 34 Ca 0.00 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 2jx9 s LEU 34 Cb 0.00 2.24 0.00 0.00 0.50 0.00 0.00 46.19 48.93 2jx9 s LEU 34 CO 0.00 -0.24 0.00 0.23 -1.32 0.00 0.00 176.35 175.02 2jx9 n MET 35 N 5.44 -3.14 -3.39 1.98 2.81 -1.26 -4.83 117.12 114.73 2jx9 n MET 35 Ca -0.07 2.54 -0.34 0.00 -1.81 0.00 0.00 57.70 58.02 2jx9 n MET 35 Cb 0.50 -3.57 -0.06 0.00 -0.71 0.00 0.00 33.22 29.39 2jx9 n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jx9 s ARG 36 N -4.65 3.91 -0.05 0.03 0.52 -0.44 -4.89 118.95 113.40 2jx9 s ARG 36 Ca 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 55.58 2jx9 s ARG 36 Cb 0.00 -2.87 0.02 0.00 0.52 0.00 0.00 34.95 32.62 2jx9 s ARG 36 CO 0.00 0.45 0.12 0.50 0.02 0.00 0.00 175.30 176.39 2jx9 s ARG 37 N -2.17 0.13 0.00 3.54 3.52 -1.26 -1.24 118.95 121.47 2jx9 s ARG 37 Ca 0.40 0.20 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 2jx9 s ARG 37 Cb -0.14 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.27 2jx9 s ARG 37 CO 0.20 -0.04 -0.06 -1.21 -0.81 0.00 0.00 175.30 173.37 2jx9 s GLU 38 N 0.25 0.48 -0.01 5.12 8.01 -0.29 -5.01 118.70 127.25 2jx9 s GLU 38 Ca -0.02 -0.29 0.01 0.00 0.01 0.00 0.00 54.97 54.68 2jx9 s GLU 38 Cb -0.03 -0.43 0.01 0.00 -4.31 0.00 0.00 34.13 29.37 2jx9 s GLU 38 CO -0.01 0.11 -0.02 -1.17 0.01 0.00 0.00 175.26 174.19 2jx9 s LEU 39 N -0.36 1.76 -0.00 1.80 0.20 -1.26 -0.89 118.68 119.93 2jx9 s LEU 39 Ca 0.00 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.79 2jx9 s LEU 39 Cb -0.03 -0.16 -0.00 0.00 -0.43 0.00 0.00 46.19 45.56 2jx9 s LEU 39 CO -0.00 -0.01 -0.03 0.00 -0.29 0.00 0.00 176.35 176.02 2jx9 s ALA 40 N 0.25 0.25 0.27 5.97 0.00 -0.73 -4.99 121.76 122.78 2jx9 s ALA 40 Ca -0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 2jx9 s ALA 40 Cb -0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.92 2jx9 s ALA 40 CO -0.01 0.05 1.37 0.00 0.00 0.00 0.00 175.76 177.17 2jx9 n GLU 42 N 1.83 1.07 0.00 0.00 2.13 -1.03 -1.65 120.64 122.99 2jx9 n GLU 42 Ca 0.04 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2jx9 n GLU 42 Cb 0.41 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.38 2jx9 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jx9 n GLY 43 N 1.61 2.93 3.77 8.31 0.00 -1.01 -4.94 105.19 115.87 2jx9 n GLY 43 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2jx9 n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jx9 s TYR 44 N -2.38 3.17 0.50 1.61 1.51 -0.66 -4.82 117.35 116.29 2jx9 s TYR 44 Ca 0.00 0.06 -0.20 0.00 -1.01 0.00 0.00 57.07 55.91 2jx9 s TYR 44 Cb 0.00 -1.60 -0.08 0.00 -0.11 0.00 0.00 41.96 40.17 2jx9 s TYR 44 CO 0.00 0.52 1.07 -1.25 -1.11 0.00 0.00 175.55 174.78 2jx9 s PRO 45 N -2.49 3.68 0.09 -1.71 0.04 -1.26 -2.07 135.00 131.29 2jx9 s PRO 45 Ca 0.29 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.88 2jx9 s PRO 45 Cb -0.12 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2jx9 s PRO 45 CO 0.22 -0.55 -0.23 -1.50 0.04 0.00 0.00 177.00 174.98 2jx9 s ILE 46 N -1.89 2.47 -0.08 0.56 2.07 -0.11 -4.86 121.20 119.35 2jx9 s ILE 46 Ca 0.68 -1.50 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 2jx9 s ILE 46 Cb -0.19 -2.06 0.02 0.00 0.13 0.00 0.00 42.46 40.35 2jx9 s ILE 46 CO 0.23 0.21 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.66 2jx9 s GLU 47 N -1.77 1.58 0.08 3.50 2.12 -1.26 -2.05 118.70 120.90 2jx9 s GLU 47 Ca 0.14 -0.34 0.07 0.00 0.36 0.00 0.00 54.97 55.21 2jx9 s GLU 47 Cb -0.10 -1.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 2jx9 s GLU 47 CO 0.06 -0.08 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.06 2jx9 s LEU 48 N 1.04 2.91 -0.20 2.70 1.43 0.13 -4.95 118.68 121.74 2jx9 s LEU 48 Ca -0.08 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2jx9 s LEU 48 Cb -0.15 -1.72 0.07 0.00 0.03 0.00 0.00 46.19 44.42 2jx9 s LEU 48 CO -0.01 0.21 0.48 -0.13 0.23 0.00 0.00 176.35 177.14 2jx9 s ARG 49 N -1.92 0.47 0.08 1.70 0.52 -1.26 -1.07 118.95 117.47 2jx9 s ARG 49 Ca 0.19 0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 56.25 2jx9 s ARG 49 Cb -0.11 0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.34 2jx9 s ARG 49 CO 0.10 -0.16 0.33 0.00 0.02 0.00 0.00 175.30 175.60 2jx9 s PRO 51 N -2.20 2.66 2.98 0.00 0.04 -1.26 -4.73 135.00 132.49 2jx9 s PRO 51 Ca 0.35 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2jx9 s PRO 51 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2jx9 s PRO 51 CO 0.21 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.31 2jx9 n GLY 52 N -0.79 2.16 1.69 0.56 0.00 -1.26 -1.72 105.19 105.83 2jx9 n GLY 52 Ca 0.10 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2jx9 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jx9 n SER 53 N -0.30 4.73 -4.86 1.61 3.41 -1.26 -4.95 113.62 112.00 2jx9 n SER 53 Ca 0.00 -2.83 -0.30 0.00 -0.26 0.00 0.00 58.87 55.48 2jx9 n SER 53 Cb 0.00 -0.67 0.06 0.00 -0.26 0.00 0.00 64.21 63.34 2jx9 n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jx9 s ASP 54 N -0.66 5.08 0.05 4.04 1.01 -0.70 -1.91 116.67 123.59 2jx9 s ASP 54 Ca 0.45 1.15 0.05 0.00 0.71 0.00 0.00 52.55 54.91 2jx9 s ASP 54 Cb 0.35 -1.90 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 2jx9 s ASP 54 CO 0.12 -1.57 -0.14 0.68 0.21 0.00 0.00 175.17 174.47 2jx9 s VAL 55 N -3.32 1.11 0.26 -1.27 -7.23 0.50 -4.35 120.40 106.10 2jx9 s VAL 55 Ca 0.59 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 2jx9 s VAL 55 Cb -0.12 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.69 2jx9 s VAL 55 CO 0.52 -0.10 1.26 -0.63 -0.31 0.00 0.00 175.10 175.84 2jx9 s ILE 56 N -1.04 3.13 -0.31 -0.62 1.01 0.19 -2.16 121.20 121.39 2jx9 s ILE 56 Ca -0.00 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 61.68 2jx9 s ILE 56 Cb -0.09 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.82 2jx9 s ILE 56 CO 0.02 0.20 0.09 0.00 0.00 0.00 0.00 174.94 175.25 2jx9 s MET 57 N -0.94 0.79 0.05 2.79 0.23 -0.41 -0.26 119.30 121.54 2jx9 s MET 57 Ca 0.51 -1.14 -0.30 0.00 -1.03 0.00 0.00 55.69 53.72 2jx9 s MET 57 Cb -0.36 -2.10 -0.08 0.00 -1.53 0.00 0.00 34.83 30.75 2jx9 s MET 57 CO 0.43 -0.98 1.74 0.08 -2.03 0.00 0.00 175.02 174.26 2jx9 s VAL 58 N 1.55 3.05 -0.23 5.16 1.01 -1.26 -2.42 120.40 127.25 2jx9 s VAL 58 Ca 0.10 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 2jx9 s VAL 58 Cb -0.17 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 2jx9 s VAL 58 CO -0.24 -0.01 -0.32 -0.62 0.00 0.00 0.00 175.10 173.91 2jx9 n GLU 59 N 6.24 0.52 -3.75 2.72 1.02 -0.61 -4.96 120.64 121.82 2jx9 n GLU 59 Ca 0.17 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 2jx9 n GLU 59 Cb 0.41 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.36 2jx9 n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jx9 s ASN 60 N -7.02 -0.27 -0.04 1.62 0.01 -1.08 -5.04 114.94 103.12 2jx9 s ASN 60 Ca -0.33 0.33 -0.29 0.00 -0.71 0.00 0.00 52.86 51.86 2jx9 s ASN 60 Cb 0.12 0.47 0.10 0.00 0.41 0.00 0.00 41.25 42.35 2jx9 s ASN 60 CO 0.43 -0.34 0.87 0.00 -1.51 0.00 0.00 177.10 176.55 2jx9 s ALA 61 N -0.77 -1.83 -0.08 0.60 0.00 -1.26 -0.21 121.76 118.21 2jx9 s ALA 61 Ca -0.09 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 2jx9 s ALA 61 Cb -0.04 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2jx9 s ALA 61 CO 0.03 -0.54 0.34 1.21 0.00 0.00 0.00 175.76 176.80 2jx9 s ASN 62 N -1.93 -0.30 -0.18 0.00 2.47 -0.02 -3.66 114.94 111.31 2jx9 s ASN 62 Ca 0.01 0.45 -0.01 0.00 0.42 0.00 0.00 52.86 53.73 2jx9 s ASN 62 Cb -0.01 0.55 0.01 0.00 -1.45 0.00 0.00 41.25 40.35 2jx9 s ASN 62 CO -0.04 -0.27 -0.14 -0.47 -3.72 0.00 0.00 177.10 172.46 2jx9 s TYR 63 N -0.47 2.83 -0.54 0.43 5.04 -1.26 -1.20 117.35 122.18 2jx9 s TYR 63 Ca -0.06 -1.27 0.00 0.00 -2.44 0.00 0.00 57.07 53.30 2jx9 s TYR 63 Cb -0.04 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.31 2jx9 s TYR 63 CO 0.02 -0.64 0.00 0.41 -1.34 0.00 0.00 175.55 174.01 2jx9 n GLY 64 N 4.50 -0.47 2.93 8.97 0.00 0.03 -3.01 105.19 118.13 2jx9 n GLY 64 Ca -0.20 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2jx9 n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jx9 s ARG 65 N -2.00 0.16 0.00 1.61 3.52 -0.83 0.47 118.95 121.88 2jx9 s ARG 65 Ca 0.00 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 2jx9 s ARG 65 Cb 0.00 -0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.03 2jx9 s ARG 65 CO 0.00 -0.40 0.49 0.25 -0.81 0.00 0.00 175.30 174.83 2jx9 n THR 66 N 5.34 0.18 -3.87 4.11 -2.24 -1.26 -0.74 114.28 115.81 2jx9 n THR 66 Ca -0.06 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 2jx9 n THR 66 Cb 0.50 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 2jx9 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jx9 s ASP 67 N -0.18 0.03 0.00 3.42 2.15 -1.26 -4.79 116.67 116.04 2jx9 s ASP 67 Ca 0.00 -0.22 0.12 0.00 0.43 0.00 0.00 52.55 52.87 2jx9 s ASP 67 Cb 0.00 0.21 0.22 0.00 -0.30 0.00 0.00 42.92 43.05 2jx9 s ASP 67 CO 0.00 -0.38 1.09 -0.90 -0.17 0.00 0.00 175.17 174.81 2jx9 n ASP 68 N 1.40 2.53 -0.90 -0.34 5.68 -1.26 -4.36 116.55 119.31 2jx9 n ASP 68 Ca -0.23 -1.77 0.12 0.00 -0.50 0.00 0.00 54.79 52.41 2jx9 n ASP 68 Cb 0.56 -0.13 0.09 0.00 -1.14 0.00 0.00 41.12 40.49 2jx9 n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jx9 n LYS 69 N 0.62 2.17 -4.80 0.11 5.02 -1.26 -4.85 118.16 115.18 2jx9 n LYS 69 Ca 0.10 -1.82 -0.33 0.00 -2.02 0.00 0.00 58.31 54.24 2jx9 n LYS 69 Cb 0.37 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.80 2jx9 n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jx9 s ILE 70 N -2.01 3.19 -0.93 -0.18 -1.09 -1.26 -4.71 121.20 114.20 2jx9 s ILE 70 Ca 0.27 -0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 57.99 2jx9 s ILE 70 Cb 0.19 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 2jx9 s ILE 70 CO 0.32 0.57 0.82 0.00 -1.23 0.00 0.00 174.94 175.42 2jx9 n ASP 72 N -2.63 1.36 -0.20 0.00 2.03 -1.26 -4.87 116.55 110.98 2jx9 n ASP 72 Ca -0.05 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.54 2jx9 n ASP 72 Cb 0.57 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jx9 n ALA 73 N 14.71 0.00 -1.75 -1.67 0.00 -1.26 -5.06 120.51 125.48 2jx9 n ALA 73 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 2jx9 n ALA 73 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 2jx9 n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jx9 s ASP 74 N 0.01 6.34 0.43 0.00 1.47 -1.26 -4.83 116.67 118.83 2jx9 s ASP 74 Ca 0.00 2.98 0.16 0.00 1.18 0.00 0.00 52.55 56.87 2jx9 s ASP 74 Cb 0.00 -2.63 1.06 0.00 -0.34 0.00 0.00 42.92 41.01 2jx9 s ASP 74 CO 0.00 -0.94 1.91 1.55 0.68 0.00 0.00 175.17 178.37 2jx9 h PRO 75 N 4.90 0.40 -0.59 2.11 0.13 -1.97 -0.59 132.00 136.39 2jx9 h PRO 75 Ca -0.47 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2jx9 h PRO 75 Cb 1.22 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2jx9 h PRO 75 CO 0.80 0.26 0.26 0.74 -0.23 0.00 0.00 178.00 179.84 2jx9 h PHE 76 N 0.41 0.84 0.00 1.56 0.04 -1.97 0.16 116.94 117.98 2jx9 h PHE 76 Ca 0.39 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2jx9 h PHE 76 Cb 0.91 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.80 2jx9 h PHE 76 CO -0.00 0.63 -0.36 1.04 -0.60 0.00 0.00 178.31 179.02 2jx9 n GLN 77 N -4.34 0.04 0.00 1.51 6.02 -0.32 -3.52 117.38 116.77 2jx9 n GLN 77 Ca 0.05 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.16 2jx9 n GLN 77 Cb 0.14 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 29.89 2jx9 n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jx9 n MET 78 N -1.60 1.52 -0.12 -1.09 2.81 -0.52 -1.74 117.12 116.38 2jx9 n MET 78 Ca 0.06 -1.13 -0.10 0.00 -1.81 0.00 0.00 57.70 54.72 2jx9 n MET 78 Cb 0.35 -1.41 -0.02 0.00 -0.71 0.00 0.00 33.22 31.44 2jx9 n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jx9 h GLU 79 N 2.68 0.59 -6.08 0.03 5.08 -0.77 -3.41 114.58 112.69 2jx9 h GLU 79 Ca 0.00 -0.15 -0.58 0.00 -1.00 0.00 0.00 59.36 57.63 2jx9 h GLU 79 Cb 0.73 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 2jx9 h GLU 79 CO 0.00 0.64 0.73 1.21 -1.00 0.00 0.00 179.01 180.59 2jx9 s ASN 80 N -5.97 6.97 -0.31 1.42 2.47 -1.26 -4.91 114.94 113.36 2jx9 s ASN 80 Ca -0.13 1.17 0.08 0.00 0.42 0.00 0.00 52.86 54.40 2jx9 s ASN 80 Cb 0.09 -2.51 0.53 0.00 -1.45 0.00 0.00 41.25 37.91 2jx9 s ASN 80 CO 0.76 -0.71 1.53 1.33 -3.72 0.00 0.00 177.10 176.29 2jx9 n VAL 81 N 5.50 2.65 -3.42 -5.21 0.24 -1.26 -4.70 118.33 112.13 2jx9 n VAL 81 Ca 0.10 -2.63 -0.27 0.00 -2.04 0.00 0.00 64.34 59.50 2jx9 n VAL 81 Cb 0.47 -0.34 -0.10 0.00 -1.47 0.00 0.00 33.84 32.39 2jx9 n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jx9 s GLN 82 N -3.25 0.88 -0.09 7.34 -1.52 -0.94 -4.10 119.66 117.97 2jx9 s GLN 82 Ca 0.46 -2.00 -0.03 0.00 -1.95 0.00 0.00 55.36 51.84 2jx9 s GLN 82 Cb 0.42 -1.44 0.05 0.00 -0.22 0.00 0.00 33.01 31.81 2jx9 s GLN 82 CO 0.01 -1.36 0.15 0.00 -0.25 0.00 0.00 175.29 173.84 2jx9 s TYR 84 N 2.27 1.27 -0.37 0.00 1.51 -1.26 -1.97 117.35 118.79 2jx9 s TYR 84 Ca 0.04 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2jx9 s TYR 84 Cb -0.12 -0.66 0.15 0.00 -0.11 0.00 0.00 41.96 41.21 2jx9 s TYR 84 CO -0.06 0.09 0.33 -1.17 -1.11 0.00 0.00 175.55 173.64 2jx9 s LEU 85 N -2.67 0.36 0.27 -1.29 2.96 -1.17 -4.85 118.68 112.30 2jx9 s LEU 85 Ca 0.10 -1.93 -0.00 0.00 -0.22 0.00 0.00 54.13 52.07 2jx9 s LEU 85 Cb -0.02 0.21 0.62 0.00 0.50 0.00 0.00 46.19 47.51 2jx9 s LEU 85 CO 0.02 -0.26 1.65 -0.65 -1.32 0.00 0.00 176.35 175.79 2jx9 h PRO 86 N 6.82 0.21 0.00 0.98 0.11 -1.91 0.14 132.00 138.34 2jx9 h PRO 86 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2jx9 h PRO 86 Cb 1.02 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2jx9 h PRO 86 CO 0.23 0.14 0.11 -0.44 -0.21 0.00 0.00 178.00 177.82 2jx9 h ASP 87 N 0.21 0.00 -0.80 -2.05 3.32 -1.95 -1.87 116.42 113.28 2jx9 h ASP 87 Ca 0.51 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.62 2jx9 h ASP 87 Cb 0.98 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 2jx9 h ASP 87 CO -0.63 0.00 0.52 0.00 -1.72 0.00 0.00 179.24 177.42 2jx9 h ALA 88 N 1.74 1.63 -0.30 3.45 0.00 -1.02 -2.24 119.26 122.53 2jx9 h ALA 88 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jx9 h ALA 88 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jx9 h ALA 88 CO 0.00 0.25 0.04 0.35 0.00 0.00 0.00 179.25 179.89 2jx9 h PHE 89 N 0.86 0.53 -0.55 0.00 3.57 -1.40 -2.75 116.94 117.20 2jx9 h PHE 89 Ca 0.34 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 2jx9 h PHE 89 Cb 0.24 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2jx9 h PHE 89 CO -0.00 0.59 0.07 1.57 -2.23 0.00 0.00 178.31 178.31 2jx9 h LYS 90 N 0.32 0.90 0.21 1.11 2.10 -1.62 -0.01 116.57 119.58 2jx9 h LYS 90 Ca 0.09 -0.23 -0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2jx9 h LYS 90 Cb 0.35 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 2jx9 h LYS 90 CO 0.01 0.85 -0.15 0.82 -2.00 0.00 0.00 179.45 178.98 2jx9 h ILE 91 N 0.85 0.69 -0.19 0.07 2.04 -1.32 -0.57 117.51 119.07 2jx9 h ILE 91 Ca 0.17 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.94 2jx9 h ILE 91 Cb 0.41 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2jx9 h ILE 91 CO 0.01 0.00 -0.28 0.24 0.00 0.00 0.00 178.15 178.12 2jx9 h MET 92 N -0.36 0.36 -0.03 2.37 2.86 -1.39 -1.89 114.93 116.86 2jx9 h MET 92 Ca -0.02 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2jx9 h MET 92 Cb 0.31 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 2jx9 h MET 92 CO 0.01 0.61 0.02 0.77 1.06 0.00 0.00 176.91 179.37 2jx9 h SER 93 N 0.32 0.03 -0.48 1.22 0.02 -0.57 0.53 113.55 114.61 2jx9 h SER 93 Ca 0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2jx9 h SER 93 Cb 0.66 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2jx9 h SER 93 CO 0.05 0.02 -0.11 1.56 -1.14 0.00 0.00 176.83 177.21 2jx9 h GLN 94 N 0.04 0.96 0.02 3.45 4.20 -0.97 0.25 115.11 123.05 2jx9 h GLN 94 Ca 0.01 -0.34 -0.21 0.00 0.06 0.00 0.00 58.65 58.17 2jx9 h GLN 94 Cb -0.00 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jx9 h GLN 94 CO -0.01 1.01 -0.93 0.00 -0.67 0.00 0.00 178.83 178.23 2jx9 h ARG 95 N 0.85 0.16 0.00 1.46 3.08 -1.12 -3.38 114.38 115.43 2jx9 h ARG 95 Ca 0.14 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jx9 h ARG 95 Cb 0.65 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2jx9 h ARG 95 CO 0.05 0.98 -0.88 0.00 -1.07 0.00 0.00 179.97 179.04 2jx9 s ASN 97 N -2.30 6.42 -0.51 0.00 -0.87 0.87 -2.08 114.94 116.47 2jx9 s ASN 97 Ca -0.00 2.88 0.00 0.00 -1.57 0.00 0.00 52.86 54.16 2jx9 s ASN 97 Cb 0.05 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2jx9 s ASN 97 CO 0.29 -0.89 0.00 0.59 -2.57 0.00 0.00 177.10 174.52 2jx9 n ASN 98 N 2.67 -4.34 -4.58 -1.22 4.13 0.65 -4.97 115.26 107.60 2jx9 n ASN 98 Ca 0.10 0.12 -0.32 0.00 1.68 0.00 0.00 54.58 56.16 2jx9 n ASN 98 Cb 0.37 -2.26 -0.11 0.00 -1.54 0.00 0.00 39.78 36.24 2jx9 n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jx9 s ARG 99 N -1.86 2.52 0.38 3.52 0.52 -0.88 -4.77 118.95 118.38 2jx9 s ARG 99 Ca 0.00 -0.74 0.16 0.00 -0.52 0.00 0.00 55.73 54.64 2jx9 s ARG 99 Cb 0.00 -2.47 0.78 0.00 0.52 0.00 0.00 34.95 33.78 2jx9 s ARG 99 CO 0.00 0.60 1.82 1.15 0.02 0.00 0.00 175.30 178.89 2jx9 h THR 100 N 3.81 1.09 -3.71 0.02 2.02 -1.87 0.53 112.91 114.80 2jx9 h THR 100 Ca -0.48 -1.31 -0.09 0.00 0.77 0.00 0.00 66.41 65.30 2jx9 h THR 100 Cb 1.17 1.74 -0.15 0.00 -1.74 0.00 0.00 68.15 69.17 2jx9 h THR 100 CO 0.53 0.35 -0.37 0.00 0.37 0.00 0.00 175.52 176.40 2jx9 s GLN 101 N -3.99 0.80 -0.17 6.66 1.03 -1.26 0.77 119.66 123.49 2jx9 s GLN 101 Ca -0.02 -0.84 -0.15 0.00 0.04 0.00 0.00 55.36 54.38 2jx9 s GLN 101 Cb 0.13 0.33 0.05 0.00 0.03 0.00 0.00 33.01 33.55 2jx9 s GLN 101 CO 0.70 -0.25 0.46 0.00 -2.54 0.00 0.00 175.29 173.66 2jx9 s VAL 103 N 0.36 1.09 -0.04 0.00 1.01 -1.26 0.20 120.40 121.75 2jx9 s VAL 103 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2jx9 s VAL 103 Cb -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.32 2jx9 s VAL 103 CO -0.01 0.36 0.12 -0.69 0.00 0.00 0.00 175.10 174.88 2jx9 s VAL 104 N 1.02 0.01 -0.30 2.92 1.01 -0.87 -4.97 120.40 119.23 2jx9 s VAL 104 Ca -0.08 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 2jx9 s VAL 104 Cb -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2jx9 s VAL 104 CO -0.00 -0.06 1.25 -0.69 0.00 0.00 0.00 175.10 175.59 2jx9 s VAL 105 N -0.17 4.23 0.00 2.92 1.01 -1.26 -0.94 120.40 126.19 2jx9 s VAL 105 Ca -0.02 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2jx9 s VAL 105 Cb -0.02 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2jx9 s VAL 105 CO 0.00 -0.46 0.83 0.00 0.00 0.00 0.00 175.10 175.47 2jx9 n ALA 106 N 7.40 2.47 -2.00 5.51 0.00 -0.88 -4.57 120.51 128.44 2jx9 n ALA 106 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jx9 n ALA 106 Cb 0.47 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2jx9 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jx9 n GLY 107 N 1.28 0.54 4.30 0.00 0.00 -1.26 -2.41 105.19 107.65 2jx9 n GLY 107 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2jx9 n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jx9 n SER 108 N 0.00 0.00 0.00 1.61 2.88 -1.26 -1.09 113.62 115.76 2jx9 n SER 108 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jx9 n SER 108 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 2jx9 n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jx9 n ASP 109 N -2.46 0.00 0.05 -3.46 8.00 -1.26 -1.97 116.55 115.46 2jx9 n ASP 109 Ca 0.00 -0.38 0.13 0.00 0.71 0.00 0.00 54.79 55.24 2jx9 n ASP 109 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.48 2jx9 n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jx9 n ALA 110 N -0.90 2.63 -3.53 2.24 0.00 -0.25 -4.79 120.51 115.91 2jx9 n ALA 110 Ca 0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2jx9 n ALA 110 Cb 0.03 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 2jx9 n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jx9 s PHE 111 N -3.08 -0.21 0.00 0.00 0.08 -0.30 -4.89 117.98 109.58 2jx9 s PHE 111 Ca 0.10 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.70 2jx9 s PHE 111 Cb 0.15 -0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.59 2jx9 s PHE 111 CO 0.63 -0.16 0.00 -2.30 -0.10 0.00 0.00 175.22 173.29 2jx9 n PRO 112 N 3.84 2.76 -3.40 0.24 -0.02 -1.26 -4.66 135.00 132.50 2jx9 n PRO 112 Ca -0.22 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.05 2jx9 n PRO 112 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.93 2jx9 n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jx9 s ASP 113 N -2.20 1.80 0.00 2.55 -1.08 -1.26 -4.97 116.67 111.51 2jx9 s ASP 113 Ca 0.00 -1.76 0.30 0.00 -0.52 0.00 0.00 52.55 50.57 2jx9 s ASP 113 Cb 0.00 0.23 1.54 0.00 -1.46 0.00 0.00 42.92 43.23 2jx9 s ASP 113 CO 0.00 -0.28 2.05 -0.81 0.52 0.00 0.00 175.17 176.65 2jx9 n PRO 114 N 4.21 0.64 -2.71 4.34 -0.04 -1.26 -4.39 135.00 135.79 2jx9 n PRO 114 Ca 0.11 -0.07 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2jx9 n PRO 114 Cb 0.42 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 2jx9 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jx9 n PRO 116 N 1.16 0.95 -0.26 0.00 -0.02 -1.26 -2.01 135.00 133.56 2jx9 n PRO 116 Ca 0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2jx9 n PRO 116 Cb 0.69 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2jx9 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jx9 n GLY 117 N 1.38 1.90 3.40 -1.23 0.00 -1.26 -5.01 105.19 104.38 2jx9 n GLY 117 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2jx9 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jx9 s THR 118 N -3.05 2.40 -0.23 2.61 2.01 -0.85 -4.53 115.64 114.00 2jx9 s THR 118 Ca 0.00 -1.56 -0.24 0.00 0.31 0.00 0.00 61.69 60.20 2jx9 s THR 118 Cb 0.00 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 2jx9 s THR 118 CO 0.00 0.19 0.79 -0.47 -0.69 0.00 0.00 174.62 174.44 2jx9 s TYR 119 N -1.00 3.33 0.00 4.92 6.14 -0.71 -4.95 117.35 125.08 2jx9 s TYR 119 Ca 0.14 1.10 0.00 0.00 0.64 0.00 0.00 57.07 58.95 2jx9 s TYR 119 Cb -0.10 -3.00 0.00 0.00 0.42 0.00 0.00 41.96 39.28 2jx9 s TYR 119 CO 0.06 -0.35 0.00 1.63 0.64 0.00 0.00 175.55 177.52 2jx9 n LYS 120 N 5.80 2.97 -3.89 4.97 5.02 -1.26 -4.73 118.16 127.04 2jx9 n LYS 120 Ca 0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 2jx9 n LYS 120 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.50 2jx9 n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jx9 s TYR 121 N 1.90 0.02 -0.08 2.13 -0.85 0.18 -2.47 117.35 118.17 2jx9 s TYR 121 Ca 0.00 -0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2jx9 s TYR 121 Cb 0.00 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.95 2jx9 s TYR 121 CO 0.00 -0.41 -0.04 -1.17 -1.52 0.00 0.00 175.55 172.41 2jx9 s LEU 122 N -3.54 0.98 -0.13 -3.49 2.96 -0.66 -0.79 118.68 114.00 2jx9 s LEU 122 Ca 0.24 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2jx9 s LEU 122 Cb 0.00 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 2jx9 s LEU 122 CO -0.00 -0.13 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.03 2jx9 s GLU 123 N 1.62 3.23 -0.04 1.98 2.12 -0.34 -1.76 118.70 125.50 2jx9 s GLU 123 Ca 0.01 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.58 2jx9 s GLU 123 Cb -0.13 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.73 2jx9 s GLU 123 CO -0.05 0.12 -0.00 0.08 -0.54 0.00 0.00 175.26 174.86 2jx9 s VAL 124 N 0.56 0.27 -0.11 3.70 1.01 -0.07 -0.84 120.40 124.91 2jx9 s VAL 124 Ca -0.10 0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2jx9 s VAL 124 Cb -0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2jx9 s VAL 124 CO 0.04 0.18 -0.14 -1.10 0.00 0.00 0.00 175.10 174.08 2jx9 s GLN 125 N 1.24 3.16 0.26 2.72 1.11 0.71 -1.14 119.66 127.72 2jx9 s GLN 125 Ca -0.06 -0.70 -0.16 0.00 0.01 0.00 0.00 55.36 54.44 2jx9 s GLN 125 Cb -0.13 -2.54 0.01 0.00 -1.01 0.00 0.00 33.01 29.33 2jx9 s GLN 125 CO -0.02 0.31 0.57 1.52 0.01 0.00 0.00 175.29 177.68 2jx9 s TYR 126 N 0.10 0.15 0.28 0.91 -0.85 -0.37 -1.57 117.35 115.99 2jx9 s TYR 126 Ca -0.06 -0.55 0.11 0.00 -0.52 0.00 0.00 57.07 56.05 2jx9 s TYR 126 Cb -0.15 0.39 -0.05 0.00 0.38 0.00 0.00 41.96 42.53 2jx9 s TYR 126 CO 0.05 -1.09 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.29 2jx9 s ASP 127 N -2.98 3.46 -0.24 -0.18 1.01 -1.02 -1.32 116.67 115.41 2jx9 s ASP 127 Ca 0.18 -1.04 -0.04 0.00 0.71 0.00 0.00 52.55 52.36 2jx9 s ASP 127 Cb -0.03 -0.28 0.00 0.00 1.01 0.00 0.00 42.92 43.62 2jx9 s ASP 127 CO 0.08 -0.01 -0.03 0.00 0.21 0.00 0.00 175.17 175.42 2jx9 s VAL 129 N 1.45 1.81 0.47 0.00 -7.23 -0.92 -4.81 120.40 111.18 2jx9 s VAL 129 Ca 0.04 -2.19 -0.23 0.00 -1.81 0.00 0.00 61.98 57.79 2jx9 s VAL 129 Cb -0.15 -2.04 -0.08 0.00 0.56 0.00 0.00 36.38 34.67 2jx9 s VAL 129 CO -0.03 -0.54 1.12 -2.65 -0.31 0.00 0.00 175.10 172.69 2jx9 n PRO 130 N -0.31 1.47 0.00 4.82 -0.02 -1.26 0.19 135.00 139.89 2jx9 n PRO 130 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2jx9 n PRO 130 Cb 0.60 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2jx9 n PRO 130 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2jx9 n TYR 131 N -0.73 -0.07 -3.75 6.00 4.19 -0.80 -4.59 117.16 117.41 2jx9 n TYR 131 Ca 0.09 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.09 2jx9 n TYR 131 Cb 0.42 0.00 -0.02 0.00 0.49 0.00 0.00 39.34 40.23 2jx9 n TYR 131 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2jx9 s LYS 132 N 0.00 3.44 -0.17 2.98 -2.85 -1.26 -5.04 119.74 116.83 2jx9 s LYS 132 Ca 0.00 -0.63 -0.17 0.00 -1.00 0.00 0.00 55.97 54.17 2jx9 s LYS 132 Cb 0.00 -2.81 -0.04 0.00 -2.06 0.00 0.00 37.83 32.92 2jx9 s LYS 132 CO 0.00 0.31 0.46 0.08 0.10 0.00 0.00 175.35 176.30 2jx9 s VAL 133 N -2.11 5.17 0.00 1.79 1.01 -1.26 -5.20 120.40 119.80 2jx9 s VAL 133 Ca 0.37 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2jx9 s VAL 133 Cb -0.09 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2jx9 s VAL 133 CO 0.31 0.26 0.00 -0.62 0.00 0.00 0.00 175.10 175.05