#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 4.07 0.00 0.99 2.96 -1.26 -5.02 118.68 120.42 2jx9 s LEU 30 Ca 0.00 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2jx9 s LEU 30 Cb 0.00 -3.14 0.00 0.00 0.50 0.00 0.00 46.19 43.55 2jx9 s LEU 30 CO 0.00 -0.68 0.00 -0.81 -1.32 0.00 0.00 176.35 173.54 2jx9 n PRO 31 N 6.34 0.00 0.00 0.98 -0.04 -1.26 -4.73 135.00 136.30 2jx9 n PRO 31 Ca 0.05 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.65 2jx9 n PRO 31 Cb 0.48 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.59 2jx9 n PRO 31 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jx9 n PHE 32 N 0.00 0.00 -2.53 0.54 3.72 -1.26 -4.91 117.46 113.02 2jx9 n PHE 32 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2jx9 n PHE 32 Cb 0.00 -0.42 0.01 0.00 -0.94 0.00 0.00 39.48 38.13 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jx9 n GLY 33 N 1.34 0.39 0.00 1.37 0.00 -1.26 -5.02 105.19 102.01 2jx9 n GLY 33 Ca 0.09 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2jx9 n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jx9 n LEU 34 N -1.36 0.00 -1.62 0.99 4.77 -1.26 -5.14 117.00 113.38 2jx9 n LEU 34 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2jx9 n LEU 34 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2jx9 n LEU 34 CO 0.14 0.00 -0.29 0.23 -1.33 0.00 0.00 177.39 176.13 2jx9 n MET 35 N 0.00 -3.08 -3.54 3.23 2.81 -1.26 -4.92 117.12 110.36 2jx9 n MET 35 Ca 0.00 2.25 -0.35 0.00 -1.81 0.00 0.00 57.70 57.79 2jx9 n MET 35 Cb 0.00 -2.71 -0.06 0.00 -0.71 0.00 0.00 33.22 29.74 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 -2.36 3.81 -0.14 0.03 0.52 -0.52 -4.99 118.95 115.30 2jx9 s ARG 36 Ca 0.00 0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.31 2jx9 s ARG 36 Cb 0.00 -3.03 0.04 0.00 0.52 0.00 0.00 34.95 32.48 2jx9 s ARG 36 CO 0.00 0.58 0.41 0.50 0.02 0.00 0.00 175.30 176.81 2jx9 s ARG 37 N -1.76 0.50 0.03 3.54 3.52 -1.26 -1.27 118.95 122.24 2jx9 s ARG 37 Ca 0.32 0.52 0.03 0.00 -0.13 0.00 0.00 55.73 56.47 2jx9 s ARG 37 Cb -0.14 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2jx9 s ARG 37 CO 0.17 -0.07 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.28 2jx9 s GLU 38 N 0.09 0.70 -0.03 5.12 0.41 -0.84 -5.01 118.70 119.14 2jx9 s GLU 38 Ca -0.01 -0.61 0.01 0.00 -0.41 0.00 0.00 54.97 53.95 2jx9 s GLU 38 Cb -0.03 -0.63 0.01 0.00 -1.78 0.00 0.00 34.13 31.70 2jx9 s GLU 38 CO 0.01 0.15 -0.04 -1.17 -0.49 0.00 0.00 175.26 173.73 2jx9 s LEU 39 N -0.98 1.52 -0.00 1.80 0.20 -1.26 -1.37 118.68 118.58 2jx9 s LEU 39 Ca -0.01 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.73 2jx9 s LEU 39 Cb -0.07 -0.34 -0.01 0.00 -0.43 0.00 0.00 46.19 45.34 2jx9 s LEU 39 CO 0.01 -0.02 -0.08 0.00 -0.29 0.00 0.00 176.35 175.96 2jx9 s ALA 40 N 0.59 0.66 0.26 5.97 0.00 -0.50 -4.98 121.76 123.76 2jx9 s ALA 40 Ca -0.07 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2jx9 s ALA 40 Cb -0.10 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 2jx9 s ALA 40 CO -0.00 0.16 1.38 0.00 0.00 0.00 0.00 175.76 177.29 2jx9 n GLU 42 N 1.98 1.19 0.00 0.00 2.13 -0.97 -1.34 120.64 123.63 2jx9 n GLU 42 Ca 0.05 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2jx9 n GLU 42 Cb 0.41 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.20 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 1.99 2.99 3.83 8.31 0.00 -0.86 -4.92 105.19 116.53 2jx9 n GLY 43 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.36 3.25 0.62 1.61 1.51 -0.45 -4.79 117.35 116.74 2jx9 s TYR 44 Ca 0.00 0.06 -0.16 0.00 -1.01 0.00 0.00 57.07 55.96 2jx9 s TYR 44 Cb 0.00 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 2jx9 s TYR 44 CO 0.00 0.53 1.08 -1.25 -1.11 0.00 0.00 175.55 174.80 2jx9 s PRO 45 N -2.88 3.10 0.15 -1.71 0.04 -1.26 -2.11 135.00 130.33 2jx9 s PRO 45 Ca 0.31 1.32 0.11 0.00 0.04 0.00 0.00 61.00 62.78 2jx9 s PRO 45 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2jx9 s PRO 45 CO 0.24 -1.00 -0.25 -1.50 0.04 0.00 0.00 177.00 174.53 2jx9 s ILE 46 N -2.35 2.34 -0.05 0.56 2.07 0.87 -4.83 121.20 119.81 2jx9 s ILE 46 Ca 0.66 -1.81 0.02 0.00 -1.41 0.00 0.00 60.65 58.11 2jx9 s ILE 46 Cb -0.19 -2.06 0.02 0.00 0.13 0.00 0.00 42.46 40.36 2jx9 s ILE 46 CO 0.38 0.04 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.66 2jx9 s GLU 47 N -2.23 1.21 -0.03 3.50 2.12 -1.26 -2.38 118.70 119.63 2jx9 s GLU 47 Ca 0.16 -0.26 0.07 0.00 0.36 0.00 0.00 54.97 55.31 2jx9 s GLU 47 Cb -0.10 -1.08 -0.02 0.00 0.26 0.00 0.00 34.13 33.20 2jx9 s GLU 47 CO 0.07 -0.01 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.03 2jx9 s LEU 48 N 0.71 2.05 -0.13 2.70 1.43 -0.81 -4.97 118.68 119.66 2jx9 s LEU 48 Ca -0.12 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 2jx9 s LEU 48 Cb -0.14 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 44.83 2jx9 s LEU 48 CO 0.02 0.29 0.30 -0.13 0.23 0.00 0.00 176.35 177.06 2jx9 s ARG 49 N -0.49 0.27 -0.02 1.70 0.52 -1.26 -1.54 118.95 118.13 2jx9 s ARG 49 Ca 0.07 0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 55.85 2jx9 s ARG 49 Cb -0.11 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.24 2jx9 s ARG 49 CO 0.00 -0.17 0.22 0.00 0.02 0.00 0.00 175.30 175.37 2jx9 s PRO 51 N -1.64 1.35 4.00 0.00 0.04 -1.26 -4.63 135.00 132.85 2jx9 s PRO 51 Ca 0.25 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2jx9 s PRO 51 Cb -0.13 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2jx9 s PRO 51 CO 0.14 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.32 2jx9 n GLY 52 N -0.62 3.23 0.42 0.56 0.00 -1.26 -1.15 105.19 106.37 2jx9 n GLY 52 Ca 0.09 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 5.19 1.91 -4.85 1.61 3.41 -1.26 -5.04 113.62 114.58 2jx9 n SER 53 Ca 0.00 -3.55 -0.29 0.00 -0.26 0.00 0.00 58.87 54.77 2jx9 n SER 53 Cb 0.00 -0.48 0.11 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.06 4.17 0.04 4.04 1.01 -0.30 -3.67 116.67 118.91 2jx9 s ASP 54 Ca 0.35 0.89 0.05 0.00 0.71 0.00 0.00 52.55 54.55 2jx9 s ASP 54 Cb 0.33 -1.44 -0.02 0.00 1.01 0.00 0.00 42.92 42.80 2jx9 s ASP 54 CO -0.03 -2.13 -0.14 0.68 0.21 0.00 0.00 175.17 173.75 2jx9 s VAL 55 N -3.44 1.13 0.29 -1.27 -7.23 0.13 -4.25 120.40 105.76 2jx9 s VAL 55 Ca 0.62 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.48 2jx9 s VAL 55 Cb -0.13 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.69 2jx9 s VAL 55 CO 0.51 0.00 1.28 -0.63 -0.31 0.00 0.00 175.10 175.95 2jx9 s ILE 56 N -0.86 2.96 -0.27 -0.62 1.01 0.35 -1.93 121.20 121.84 2jx9 s ILE 56 Ca 0.02 0.91 -0.01 0.00 0.00 0.00 0.00 60.65 61.57 2jx9 s ILE 56 Cb -0.08 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.89 2jx9 s ILE 56 CO 0.01 0.20 0.05 0.00 0.00 0.00 0.00 174.94 175.20 2jx9 s MET 57 N -1.28 0.91 0.02 2.79 0.23 0.06 -0.77 119.30 121.25 2jx9 s MET 57 Ca 0.50 -0.97 -0.30 0.00 -1.03 0.00 0.00 55.69 53.89 2jx9 s MET 57 Cb -0.38 -2.20 -0.06 0.00 -1.53 0.00 0.00 34.83 30.66 2jx9 s MET 57 CO 0.47 -0.84 1.50 0.08 -2.03 0.00 0.00 175.02 174.20 2jx9 s VAL 58 N 1.58 3.48 -0.19 5.16 1.01 -1.26 -2.07 120.40 128.11 2jx9 s VAL 58 Ca 0.05 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 2jx9 s VAL 58 Cb -0.18 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2jx9 s VAL 58 CO -0.17 -0.01 -0.27 -0.62 0.00 0.00 0.00 175.10 174.03 2jx9 n GLU 59 N 5.58 0.44 -3.80 2.72 1.02 -0.54 -4.97 120.64 121.08 2jx9 n GLU 59 Ca 0.14 0.19 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2jx9 n GLU 59 Cb 0.43 -1.23 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 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 -6.73 -0.21 -0.05 1.62 0.01 -1.03 -5.03 114.94 103.52 2jx9 s ASN 60 Ca -0.28 0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 51.91 2jx9 s ASN 60 Cb 0.10 0.44 0.09 0.00 0.41 0.00 0.00 41.25 42.29 2jx9 s ASN 60 CO 0.36 -0.18 0.78 0.00 -1.51 0.00 0.00 177.10 176.55 2jx9 s ALA 61 N -0.31 -1.80 -0.08 0.60 0.00 -1.26 0.65 121.76 119.57 2jx9 s ALA 61 Ca -0.04 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 2jx9 s ALA 61 Cb -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2jx9 s ALA 61 CO 0.01 -0.44 0.30 1.21 0.00 0.00 0.00 175.76 176.84 2jx9 s ASN 62 N -1.52 -0.26 -0.21 0.00 2.47 -0.52 -3.77 114.94 111.14 2jx9 s ASN 62 Ca -0.05 0.40 -0.02 0.00 0.42 0.00 0.00 52.86 53.61 2jx9 s ASN 62 Cb -0.00 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 2jx9 s ASN 62 CO 0.03 -0.24 -0.10 -0.47 -3.72 0.00 0.00 177.10 172.60 2jx9 s TYR 63 N -0.43 2.89 0.00 0.43 5.04 -1.26 -2.10 117.35 121.93 2jx9 s TYR 63 Ca -0.05 -1.20 0.00 0.00 -2.44 0.00 0.00 57.07 53.37 2jx9 s TYR 63 Cb -0.04 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.24 2jx9 s TYR 63 CO 0.02 -0.65 0.00 0.41 -1.34 0.00 0.00 175.55 173.99 2jx9 n GLY 64 N 4.73 -0.53 3.24 8.97 0.00 -0.20 -3.28 105.19 118.12 2jx9 n GLY 64 Ca -0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.99 0.40 0.00 1.61 3.52 -1.02 0.55 118.95 123.02 2jx9 s ARG 65 Ca 0.00 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 2jx9 s ARG 65 Cb 0.00 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 33.66 2jx9 s ARG 65 CO 0.00 -0.36 0.62 0.25 -0.81 0.00 0.00 175.30 174.99 2jx9 n THR 66 N 5.40 0.35 -3.88 4.11 -2.24 -1.26 -1.46 114.28 115.29 2jx9 n THR 66 Ca -0.07 -0.57 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 2jx9 n THR 66 Cb 0.50 0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.35 0.07 0.00 3.42 2.15 -1.26 -4.84 116.67 115.87 2jx9 s ASP 67 Ca 0.00 -0.32 0.13 0.00 0.43 0.00 0.00 52.55 52.79 2jx9 s ASP 67 Cb 0.00 0.22 0.11 0.00 -0.30 0.00 0.00 42.92 42.96 2jx9 s ASP 67 CO 0.00 -0.43 0.93 -0.90 -0.17 0.00 0.00 175.17 174.60 2jx9 n ASP 68 N 1.16 2.13 -1.03 -0.34 5.68 -1.26 -4.42 116.55 118.46 2jx9 n ASP 68 Ca -0.21 -1.56 0.11 0.00 -0.50 0.00 0.00 54.79 52.63 2jx9 n ASP 68 Cb 0.57 -0.01 0.16 0.00 -1.14 0.00 0.00 41.12 40.70 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 0.73 2.33 -4.54 0.11 5.02 -1.26 -4.87 118.16 115.67 2jx9 n LYS 69 Ca 0.08 -2.09 -0.34 0.00 -2.02 0.00 0.00 58.31 53.94 2jx9 n LYS 69 Cb 0.33 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.60 3.82 -0.88 -0.18 -1.09 -1.26 -4.65 121.20 115.35 2jx9 s ILE 70 Ca 0.33 -0.42 -0.05 0.00 -2.23 0.00 0.00 60.65 58.28 2jx9 s ILE 70 Cb 0.21 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 2jx9 s ILE 70 CO 0.29 0.57 0.75 0.00 -1.23 0.00 0.00 174.94 175.33 2jx9 n ASP 72 N -2.35 2.19 -0.26 0.00 5.68 -1.26 -4.89 116.55 115.67 2jx9 n ASP 72 Ca -0.07 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 2jx9 n ASP 72 Cb 0.57 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jx9 n ALA 73 N 9.13 0.00 -1.74 2.12 0.00 -1.26 -5.10 120.51 123.66 2jx9 n ALA 73 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2jx9 n ALA 73 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 2jx9 n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jx9 n ASP 74 N -0.43 3.62 0.02 0.00 5.68 -1.26 -4.85 116.55 119.33 2jx9 n ASP 74 Ca 0.00 1.18 0.06 0.00 -0.50 0.00 0.00 54.79 55.52 2jx9 n ASP 74 Cb 0.00 -1.57 0.47 0.00 -1.14 0.00 0.00 41.12 38.87 2jx9 n ASP 74 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2jx9 h PRO 75 N 3.98 0.45 -0.33 0.11 0.13 -1.99 -1.57 132.00 132.78 2jx9 h PRO 75 Ca -0.48 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2jx9 h PRO 75 Cb 1.24 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2jx9 h PRO 75 CO 0.73 0.29 0.07 0.74 -0.23 0.00 0.00 178.00 179.60 2jx9 h PHE 76 N 0.46 0.48 0.00 1.56 -1.00 -1.97 0.21 116.94 116.69 2jx9 h PHE 76 Ca 0.15 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2jx9 h PHE 76 Cb 0.05 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.46 2jx9 h PHE 76 CO -0.00 0.43 -0.51 1.96 -1.61 0.00 0.00 178.31 178.59 2jx9 h GLN 77 N 0.47 0.00 -0.03 1.51 4.20 -1.54 -3.22 115.11 116.51 2jx9 h GLN 77 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2jx9 h GLN 77 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2jx9 h GLN 77 CO -0.00 0.00 -0.03 -1.33 -0.67 0.00 0.00 178.83 176.80 2jx9 n MET 78 N -2.59 2.10 0.07 1.46 2.81 -0.62 -1.05 117.12 119.30 2jx9 n MET 78 Ca 0.03 -1.65 -0.13 0.00 -1.81 0.00 0.00 57.70 54.14 2jx9 n MET 78 Cb 0.50 -1.47 -0.07 0.00 -0.71 0.00 0.00 33.22 31.47 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 4.03 -0.09 -6.41 0.03 5.08 -0.63 -3.41 114.58 113.17 2jx9 h GLU 79 Ca 0.00 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 2jx9 h GLU 79 Cb 0.87 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2jx9 h GLU 79 CO 0.00 -0.02 0.97 1.21 -1.00 0.00 0.00 179.01 180.17 2jx9 s ASN 80 N -5.15 6.64 -0.27 1.42 2.47 -1.26 -4.88 114.94 113.91 2jx9 s ASN 80 Ca -0.14 1.06 0.11 0.00 0.42 0.00 0.00 52.86 54.32 2jx9 s ASN 80 Cb 0.05 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.87 2jx9 s ASN 80 CO 0.65 -1.13 1.53 1.33 -3.72 0.00 0.00 177.10 175.76 2jx9 n VAL 81 N 6.37 2.56 -3.46 -5.21 0.24 -1.26 -4.73 118.33 112.84 2jx9 n VAL 81 Ca 0.14 -2.24 -0.28 0.00 -2.04 0.00 0.00 64.34 59.93 2jx9 n VAL 81 Cb 0.47 -0.32 -0.11 0.00 -1.47 0.00 0.00 33.84 32.42 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 -3.08 0.96 -0.09 7.34 -1.52 -0.93 -4.03 119.66 118.32 2jx9 s GLN 82 Ca 0.46 -2.02 -0.04 0.00 -1.95 0.00 0.00 55.36 51.82 2jx9 s GLN 82 Cb 0.39 -1.59 0.05 0.00 -0.22 0.00 0.00 33.01 31.64 2jx9 s GLN 82 CO 0.06 -1.33 0.17 0.00 -0.25 0.00 0.00 175.29 173.94 2jx9 s TYR 84 N 2.11 1.30 -0.36 0.00 1.51 -1.26 -2.42 117.35 118.23 2jx9 s TYR 84 Ca 0.01 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2jx9 s TYR 84 Cb -0.12 -0.69 0.15 0.00 -0.11 0.00 0.00 41.96 41.19 2jx9 s TYR 84 CO -0.06 0.10 0.31 -1.17 -1.11 0.00 0.00 175.55 173.62 2jx9 s LEU 85 N -2.44 0.33 0.27 -1.29 2.96 -1.21 -4.85 118.68 112.45 2jx9 s LEU 85 Ca 0.08 -1.78 -0.00 0.00 -0.22 0.00 0.00 54.13 52.21 2jx9 s LEU 85 Cb -0.04 0.19 0.63 0.00 0.50 0.00 0.00 46.19 47.46 2jx9 s LEU 85 CO 0.02 -0.28 1.66 -0.65 -1.32 0.00 0.00 176.35 175.78 2jx9 h PRO 86 N 7.10 0.24 -0.06 0.98 0.11 -1.91 0.19 132.00 138.66 2jx9 h PRO 86 Ca 0.04 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.16 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 0.16 0.25 -0.44 -0.21 0.00 0.00 178.00 177.99 2jx9 h ASP 87 N 0.25 0.00 -0.77 -2.05 3.32 -1.96 -1.41 116.42 113.80 2jx9 h ASP 87 Ca 0.51 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.63 2jx9 h ASP 87 Cb 0.97 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.47 2jx9 h ASP 87 CO -0.60 0.00 0.50 0.00 -1.72 0.00 0.00 179.24 177.42 2jx9 h ALA 88 N 1.55 1.69 -0.37 3.45 0.00 -1.25 -1.80 119.26 122.53 2jx9 h ALA 88 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2jx9 h ALA 88 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2jx9 h ALA 88 CO -0.00 0.18 0.07 0.35 0.00 0.00 0.00 179.25 179.85 2jx9 h PHE 89 N 0.79 0.64 -0.51 0.00 3.57 -1.34 -2.63 116.94 117.45 2jx9 h PHE 89 Ca 0.34 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2jx9 h PHE 89 Cb 0.29 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2jx9 h PHE 89 CO -0.00 0.65 0.18 1.57 -2.23 0.00 0.00 178.31 178.48 2jx9 h LYS 90 N 0.45 0.78 -0.02 1.11 2.10 -1.48 0.20 116.57 119.71 2jx9 h LYS 90 Ca 0.11 -0.15 0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2jx9 h LYS 90 Cb 0.35 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 2jx9 h LYS 90 CO 0.01 0.71 -0.05 0.82 -2.00 0.00 0.00 179.45 178.94 2jx9 h ILE 91 N 0.69 0.87 -0.09 0.07 2.04 -1.33 -1.89 117.51 117.87 2jx9 h ILE 91 Ca 0.17 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 2jx9 h ILE 91 Cb 0.23 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2jx9 h ILE 91 CO -0.01 0.00 -0.46 0.24 0.00 0.00 0.00 178.15 177.93 2jx9 h MET 92 N -0.08 0.22 -0.43 2.37 2.86 -1.39 -2.43 114.93 116.06 2jx9 h MET 92 Ca 0.03 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2jx9 h MET 92 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2jx9 h MET 92 CO -0.07 0.64 0.25 0.77 1.06 0.00 0.00 176.91 179.56 2jx9 h SER 93 N 0.18 0.53 -0.35 1.22 0.02 -0.60 0.46 113.55 115.01 2jx9 h SER 93 Ca 0.01 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 2jx9 h SER 93 Cb 0.88 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2jx9 h SER 93 CO 0.07 0.44 -0.16 1.56 -1.14 0.00 0.00 176.83 177.60 2jx9 h GLN 94 N 0.57 0.81 0.04 3.45 4.20 -1.26 0.20 115.11 123.12 2jx9 h GLN 94 Ca 0.15 -0.30 -0.23 0.00 0.06 0.00 0.00 58.65 58.34 2jx9 h GLN 94 Cb 0.02 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2jx9 h GLN 94 CO -0.03 0.92 -1.02 0.00 -0.67 0.00 0.00 178.83 178.03 2jx9 h ARG 95 N 0.72 0.20 0.00 1.46 3.08 -1.05 -3.38 114.38 115.40 2jx9 h ARG 95 Ca 0.11 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2jx9 h ARG 95 Cb 0.67 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2jx9 h ARG 95 CO 0.05 1.06 -1.35 0.00 -1.07 0.00 0.00 179.97 178.66 2jx9 s ASN 97 N -2.97 6.41 -0.50 0.00 0.01 0.69 -1.85 114.94 116.73 2jx9 s ASN 97 Ca -0.03 2.97 0.00 0.00 -0.71 0.00 0.00 52.86 55.10 2jx9 s ASN 97 Cb 0.06 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2jx9 s ASN 97 CO 0.38 -0.83 0.00 0.59 -1.51 0.00 0.00 177.10 175.73 2jx9 n ASN 98 N 0.87 -5.52 -4.51 -1.22 4.13 0.05 -4.93 115.26 104.13 2jx9 n ASN 98 Ca 0.02 0.12 -0.30 0.00 1.68 0.00 0.00 54.58 56.10 2jx9 n ASN 98 Cb 0.39 -3.43 -0.11 0.00 -1.54 0.00 0.00 39.78 35.09 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 -2.21 2.05 0.23 3.52 0.52 -0.77 -4.81 118.95 117.48 2jx9 s ARG 99 Ca 0.00 -1.02 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 2jx9 s ARG 99 Cb 0.00 -2.23 0.23 0.00 0.52 0.00 0.00 34.95 33.47 2jx9 s ARG 99 CO 0.00 0.52 1.57 1.15 0.02 0.00 0.00 175.30 178.56 2jx9 h THR 100 N 3.66 1.33 -3.28 0.02 2.02 -1.85 1.01 112.91 115.83 2jx9 h THR 100 Ca -0.49 -1.76 -0.09 0.00 0.77 0.00 0.00 66.41 64.84 2jx9 h THR 100 Cb 1.16 1.79 -0.16 0.00 -1.74 0.00 0.00 68.15 69.19 2jx9 h THR 100 CO 0.49 0.54 -0.21 0.00 0.37 0.00 0.00 175.52 176.70 2jx9 s GLN 101 N -3.99 0.85 -0.20 6.66 1.03 -1.26 0.48 119.66 123.23 2jx9 s GLN 101 Ca -0.06 -0.51 -0.13 0.00 0.04 0.00 0.00 55.36 54.70 2jx9 s GLN 101 Cb 0.12 0.37 0.06 0.00 0.03 0.00 0.00 33.01 33.59 2jx9 s GLN 101 CO 0.81 -0.28 0.50 0.00 -2.54 0.00 0.00 175.29 173.78 2jx9 s VAL 103 N 1.14 3.00 0.02 0.00 1.01 -1.26 -1.93 120.40 122.38 2jx9 s VAL 103 Ca -0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2jx9 s VAL 103 Cb -0.06 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2jx9 s VAL 103 CO -0.11 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 174.99 2jx9 s VAL 104 N 0.11 0.10 -0.35 2.92 1.01 -1.00 -4.97 120.40 118.21 2jx9 s VAL 104 Ca -0.06 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 2jx9 s VAL 104 Cb -0.15 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2jx9 s VAL 104 CO 0.05 -0.44 0.93 -0.69 0.00 0.00 0.00 175.10 174.95 2jx9 s VAL 105 N -1.81 4.60 0.00 2.92 1.01 -1.26 -0.09 120.40 125.77 2jx9 s VAL 105 Ca -0.11 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 2jx9 s VAL 105 Cb -0.05 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2jx9 s VAL 105 CO -0.00 -0.49 1.47 0.00 0.00 0.00 0.00 175.10 176.07 2jx9 n ALA 106 N 6.72 3.31 -2.00 5.51 0.00 -0.89 -4.59 120.51 128.56 2jx9 n ALA 106 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jx9 n ALA 106 Cb 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.81 0.25 2.97 0.00 0.00 -1.26 -2.03 105.19 106.92 2jx9 n GLY 107 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.30 113.62 115.55 2jx9 n SER 108 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2jx9 n SER 108 Cb 0.00 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.70 0.00 -0.02 -3.46 9.92 -1.26 -2.47 116.55 117.57 2jx9 n ASP 109 Ca 0.00 -0.53 0.13 0.00 -0.53 0.00 0.00 54.79 53.86 2jx9 n ASP 109 Cb 0.00 0.00 0.49 0.00 -0.64 0.00 0.00 41.12 40.97 2jx9 n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jx9 n ALA 110 N -0.93 2.83 -3.42 2.24 0.00 -0.42 -4.79 120.51 116.02 2jx9 n ALA 110 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2jx9 n ALA 110 Cb 0.04 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.90 -0.18 0.00 0.00 0.08 -0.47 -4.89 117.98 109.62 2jx9 s PHE 111 Ca 0.16 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.69 2jx9 s PHE 111 Cb 0.19 -0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.63 2jx9 s PHE 111 CO 0.58 -0.13 0.00 -2.30 -0.10 0.00 0.00 175.22 173.26 2jx9 n PRO 112 N 3.67 2.04 -3.41 0.24 -0.02 -1.26 -4.72 135.00 131.54 2jx9 n PRO 112 Ca -0.20 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.06 2jx9 n PRO 112 Cb 0.55 0.00 -0.10 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 -2.06 1.96 0.04 2.55 -1.08 -1.26 -4.99 116.67 111.83 2jx9 s ASP 113 Ca 0.00 -1.61 0.28 0.00 -0.52 0.00 0.00 52.55 50.70 2jx9 s ASP 113 Cb 0.00 0.20 1.13 0.00 -1.46 0.00 0.00 42.92 42.79 2jx9 s ASP 113 CO 0.00 -0.31 1.87 -0.81 0.52 0.00 0.00 175.17 176.44 2jx9 n PRO 114 N 4.43 0.05 -2.86 4.34 -0.04 -1.26 -4.58 135.00 135.08 2jx9 n PRO 114 Ca 0.08 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.60 2jx9 n PRO 114 Cb 0.43 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2jx9 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jx9 s PRO 116 N 1.73 1.94 -0.01 0.00 0.04 -1.26 -3.59 135.00 133.84 2jx9 s PRO 116 Ca 0.17 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2jx9 s PRO 116 Cb 0.03 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2jx9 s PRO 116 CO -0.12 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 175.40 2jx9 n GLY 117 N -0.27 0.47 3.23 0.56 0.00 -1.26 -5.03 105.19 102.89 2jx9 n GLY 117 Ca 0.11 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.98 1.52 -0.54 2.61 2.01 -1.24 -4.46 115.64 113.56 2jx9 s THR 118 Ca 0.00 -1.24 -0.27 0.00 0.31 0.00 0.00 61.69 60.49 2jx9 s THR 118 Cb 0.00 -1.35 0.03 0.00 0.01 0.00 0.00 72.50 71.19 2jx9 s THR 118 CO 0.00 0.07 1.07 -0.47 -0.69 0.00 0.00 174.62 174.60 2jx9 s TYR 119 N -0.93 2.74 0.00 4.92 6.14 -0.21 -4.99 117.35 125.02 2jx9 s TYR 119 Ca 0.05 0.33 0.00 0.00 0.64 0.00 0.00 57.07 58.09 2jx9 s TYR 119 Cb -0.09 -4.29 0.00 0.00 0.42 0.00 0.00 41.96 38.00 2jx9 s TYR 119 CO 0.02 -1.40 0.00 1.63 0.64 0.00 0.00 175.55 176.44 2jx9 n LYS 120 N 7.88 1.31 -3.81 4.97 5.02 -1.26 -4.78 118.16 127.48 2jx9 n LYS 120 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.35 2jx9 n LYS 120 Cb 0.48 0.00 0.00 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 0.49 -0.01 -0.07 2.13 -0.85 0.19 -2.29 117.35 116.94 2jx9 s TYR 121 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 2jx9 s TYR 121 Cb 0.00 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.98 2jx9 s TYR 121 CO 0.00 -0.58 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.23 2jx9 s LEU 122 N -3.29 1.16 -0.13 -3.49 2.96 -0.58 -1.04 118.68 114.28 2jx9 s LEU 122 Ca 0.20 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2jx9 s LEU 122 Cb 0.00 -0.62 0.01 0.00 0.50 0.00 0.00 46.19 46.09 2jx9 s LEU 122 CO 0.01 -0.09 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.06 2jx9 s GLU 123 N 1.35 2.63 -0.05 1.98 2.12 -0.89 -1.41 118.70 124.43 2jx9 s GLU 123 Ca -0.03 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.60 2jx9 s GLU 123 Cb -0.14 -2.19 0.02 0.00 0.26 0.00 0.00 34.13 32.08 2jx9 s GLU 123 CO -0.03 -0.07 -0.06 0.08 -0.54 0.00 0.00 175.26 174.64 2jx9 s VAL 124 N 0.98 0.66 -0.13 3.70 1.01 -0.47 -1.44 120.40 124.72 2jx9 s VAL 124 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2jx9 s VAL 124 Cb -0.15 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2jx9 s VAL 124 CO -0.03 0.25 -0.05 -1.10 0.00 0.00 0.00 175.10 174.16 2jx9 s GLN 125 N 0.77 3.40 0.23 2.72 1.11 0.21 -1.99 119.66 126.11 2jx9 s GLN 125 Ca -0.12 -0.54 -0.14 0.00 0.01 0.00 0.00 55.36 54.57 2jx9 s GLN 125 Cb -0.14 -2.80 0.00 0.00 -1.01 0.00 0.00 33.01 29.06 2jx9 s GLN 125 CO 0.01 0.36 0.49 1.52 0.01 0.00 0.00 175.29 177.67 2jx9 s TYR 126 N 0.04 0.22 0.19 0.91 1.13 -0.40 -1.47 117.35 117.97 2jx9 s TYR 126 Ca -0.01 -0.59 0.08 0.00 -1.41 0.00 0.00 57.07 55.14 2jx9 s TYR 126 Cb -0.14 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 2jx9 s TYR 126 CO 0.03 -0.97 -0.16 -0.51 -2.51 0.00 0.00 175.55 171.43 2jx9 s ASP 127 N -2.98 2.58 -0.20 -0.18 1.01 -0.88 -1.44 116.67 114.58 2jx9 s ASP 127 Ca 0.18 -0.96 -0.05 0.00 0.71 0.00 0.00 52.55 52.43 2jx9 s ASP 127 Cb -0.01 -0.14 -0.02 0.00 1.01 0.00 0.00 42.92 43.76 2jx9 s ASP 127 CO 0.06 -0.13 -0.00 0.00 0.21 0.00 0.00 175.17 175.31 2jx9 s VAL 129 N 0.97 1.73 0.50 0.00 -7.23 -0.81 -4.83 120.40 110.74 2jx9 s VAL 129 Ca 0.01 -2.17 -0.23 0.00 -1.81 0.00 0.00 61.98 57.78 2jx9 s VAL 129 Cb -0.14 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 2jx9 s VAL 129 CO 0.02 -0.56 1.37 -2.65 -0.31 0.00 0.00 175.10 172.96 2jx9 n PRO 130 N -0.29 1.88 0.00 4.82 -0.02 -1.26 0.17 135.00 140.30 2jx9 n PRO 130 Ca -0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2jx9 n PRO 130 Cb 0.60 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.70 0.00 -4.02 6.00 9.36 -1.24 -4.73 117.16 121.82 2jx9 n TYR 131 Ca 0.08 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.22 2jx9 n TYR 131 Cb 0.43 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.04 2jx9 n TYR 131 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2jx9 s LYS 132 N -0.05 0.46 0.03 2.98 2.36 -1.26 -5.08 119.74 119.18 2jx9 s LYS 132 Ca 0.00 -0.87 -0.26 0.00 -2.55 0.00 0.00 55.97 52.29 2jx9 s LYS 132 Cb 0.00 0.16 -0.05 0.00 -1.05 0.00 0.00 37.83 36.89 2jx9 s LYS 132 CO 0.00 -0.08 0.82 0.08 1.55 0.00 0.00 175.35 177.72 2jx9 s VAL 133 N -2.56 4.77 0.00 4.02 1.01 -1.26 -5.17 120.40 121.20 2jx9 s VAL 133 Ca -0.06 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2jx9 s VAL 133 Cb -0.02 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2jx9 s VAL 133 CO -0.05 0.30 0.00 -0.62 0.00 0.00 0.00 175.10 174.73