#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 3.51 0.32 0.99 0.05 -1.26 -5.08 118.68 117.21 2jx9 s LEU 30 Ca 0.00 -0.42 -0.29 0.00 0.05 0.00 0.00 54.13 53.47 2jx9 s LEU 30 Cb 0.00 -2.06 -0.11 0.00 -2.05 0.00 0.00 46.19 41.97 2jx9 s LEU 30 CO 0.00 -0.00 1.57 -0.81 -0.55 0.00 0.00 176.35 176.55 2jx9 n PRO 31 N -0.91 2.70 0.00 1.48 -0.04 -1.26 -4.87 135.00 132.10 2jx9 n PRO 31 Ca -0.07 0.96 0.15 0.00 -0.04 0.00 0.00 63.50 64.49 2jx9 n PRO 31 Cb 0.58 -2.73 0.81 0.00 -0.04 0.00 0.00 33.50 32.13 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 1.65 0.00 0.00 0.54 3.72 -1.26 -4.88 117.46 117.23 2jx9 n PHE 32 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2jx9 n PHE 32 Cb 0.37 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 1.02 -0.34 3.15 1.37 0.00 -1.26 -3.90 105.19 105.23 2jx9 n GLY 33 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.11 0.53 0.99 2.96 -1.26 -5.14 118.68 115.65 2jx9 s LEU 34 Ca 0.00 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 2jx9 s LEU 34 Cb 0.00 1.93 0.00 0.00 0.50 0.00 0.00 46.19 48.62 2jx9 s LEU 34 CO 0.00 -0.21 0.00 0.80 -1.32 0.00 0.00 176.35 175.62 2jx9 n MET 35 N 5.44 -3.03 -3.83 1.98 1.56 -1.25 -4.82 117.12 113.18 2jx9 n MET 35 Ca -0.03 2.39 -0.37 0.00 -0.27 0.00 0.00 57.70 59.42 2jx9 n MET 35 Cb 0.52 -3.62 -0.06 0.00 2.15 0.00 0.00 33.22 32.21 2jx9 n MET 35 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2jx9 s ARG 36 N -3.88 3.51 -0.16 2.12 0.52 -0.87 -4.95 118.95 115.23 2jx9 s ARG 36 Ca 0.00 -0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 55.01 2jx9 s ARG 36 Cb 0.00 -3.19 0.05 0.00 0.52 0.00 0.00 34.95 32.33 2jx9 s ARG 36 CO 0.00 0.76 0.43 0.50 0.02 0.00 0.00 175.30 177.01 2jx9 s ARG 37 N -1.09 0.49 0.07 3.54 3.52 -1.26 -1.24 118.95 122.98 2jx9 s ARG 37 Ca 0.17 0.64 0.05 0.00 -0.13 0.00 0.00 55.73 56.46 2jx9 s ARG 37 Cb -0.13 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.43 2jx9 s ARG 37 CO 0.06 -0.08 -0.15 -1.21 -0.81 0.00 0.00 175.30 173.12 2jx9 s GLU 38 N 0.44 0.85 -0.00 5.12 2.02 -0.98 -5.01 118.70 121.13 2jx9 s GLU 38 Ca -0.02 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.02 2jx9 s GLU 38 Cb -0.04 -0.88 -0.00 0.00 0.10 0.00 0.00 34.13 33.31 2jx9 s GLU 38 CO -0.02 0.20 -0.03 -1.17 0.02 0.00 0.00 175.26 174.25 2jx9 s LEU 39 N -1.72 2.02 -0.01 1.80 0.20 -1.26 -2.02 118.68 117.69 2jx9 s LEU 39 Ca -0.01 -0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.73 2jx9 s LEU 39 Cb -0.10 -0.17 0.00 0.00 -0.43 0.00 0.00 46.19 45.50 2jx9 s LEU 39 CO 0.02 0.03 -0.02 0.00 -0.29 0.00 0.00 176.35 176.09 2jx9 s ALA 40 N -0.14 0.23 0.28 5.97 0.00 -0.93 -4.98 121.76 122.19 2jx9 s ALA 40 Ca 0.01 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 2jx9 s ALA 40 Cb -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.90 2jx9 s ALA 40 CO -0.00 0.03 1.36 0.00 0.00 0.00 0.00 175.76 177.15 2jx9 n GLU 42 N 1.73 0.73 0.00 0.00 2.13 -0.96 -1.57 120.64 122.71 2jx9 n GLU 42 Ca 0.04 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2jx9 n GLU 42 Cb 0.41 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.30 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 2.11 1.68 3.68 8.31 0.00 -0.96 -4.94 105.19 115.07 2jx9 n GLY 43 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.41 2.95 0.65 1.61 1.51 -0.61 -4.81 117.35 116.24 2jx9 s TYR 44 Ca 0.00 -0.06 -0.15 0.00 -1.01 0.00 0.00 57.07 55.85 2jx9 s TYR 44 Cb 0.00 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2jx9 s TYR 44 CO 0.00 0.49 1.09 -1.25 -1.11 0.00 0.00 175.55 174.77 2jx9 s PRO 45 N -2.53 2.93 0.09 -1.71 0.04 -1.26 -1.98 135.00 130.57 2jx9 s PRO 45 Ca 0.26 1.30 0.09 0.00 0.04 0.00 0.00 61.00 62.69 2jx9 s PRO 45 Cb -0.11 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2jx9 s PRO 45 CO 0.18 -1.14 -0.23 -1.50 0.04 0.00 0.00 177.00 174.36 2jx9 s ILE 46 N -2.44 1.88 -0.09 0.56 2.07 0.44 -4.83 121.20 118.77 2jx9 s ILE 46 Ca 0.65 -1.48 0.01 0.00 -1.41 0.00 0.00 60.65 58.41 2jx9 s ILE 46 Cb -0.19 -1.66 0.02 0.00 0.13 0.00 0.00 42.46 40.76 2jx9 s ILE 46 CO 0.42 0.10 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.74 2jx9 s GLU 47 N -1.67 1.63 -0.02 3.50 2.12 -1.26 -2.21 118.70 120.79 2jx9 s GLU 47 Ca 0.09 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.12 2jx9 s GLU 47 Cb -0.10 -1.53 -0.03 0.00 0.26 0.00 0.00 34.13 32.73 2jx9 s GLU 47 CO 0.04 -0.14 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.98 2jx9 s LEU 48 N 1.26 2.87 -0.11 2.70 1.43 -0.74 -4.98 118.68 121.10 2jx9 s LEU 48 Ca -0.03 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2jx9 s LEU 48 Cb -0.14 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2jx9 s LEU 48 CO -0.03 0.32 0.28 -0.13 0.23 0.00 0.00 176.35 177.02 2jx9 s ARG 49 N -1.03 0.32 -0.04 1.70 0.52 -1.26 -1.91 118.95 117.25 2jx9 s ARG 49 Ca 0.13 0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 55.76 2jx9 s ARG 49 Cb -0.11 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 2jx9 s ARG 49 CO 0.03 -0.05 0.02 0.00 0.02 0.00 0.00 175.30 175.31 2jx9 s PRO 51 N -1.29 1.97 2.24 0.00 0.04 -1.26 -4.69 135.00 132.00 2jx9 s PRO 51 Ca 0.17 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2jx9 s PRO 51 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2jx9 s PRO 51 CO 0.07 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.68 2jx9 n GLY 52 N -1.05 2.61 1.83 0.56 0.00 -1.26 -1.32 105.19 106.56 2jx9 n GLY 52 Ca 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 1.42 5.06 -4.84 1.61 3.41 -1.26 -4.98 113.62 114.03 2jx9 n SER 53 Ca 0.00 -3.11 -0.30 0.00 -0.26 0.00 0.00 58.87 55.21 2jx9 n SER 53 Cb 0.00 -0.70 0.08 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.08 4.80 0.01 4.04 1.01 -0.44 -3.38 116.67 121.64 2jx9 s ASP 54 Ca 0.54 1.17 0.06 0.00 0.71 0.00 0.00 52.55 55.02 2jx9 s ASP 54 Cb 0.42 -1.89 -0.02 0.00 1.01 0.00 0.00 42.92 42.44 2jx9 s ASP 54 CO 0.14 -1.76 -0.17 0.68 0.21 0.00 0.00 175.17 174.27 2jx9 s VAL 55 N -3.28 1.36 0.31 -1.27 -7.23 0.69 -4.33 120.40 106.65 2jx9 s VAL 55 Ca 0.60 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 59.59 2jx9 s VAL 55 Cb -0.13 -1.16 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 2jx9 s VAL 55 CO 0.53 0.25 1.26 -0.63 -0.31 0.00 0.00 175.10 176.20 2jx9 s ILE 56 N -0.59 2.91 -0.30 -0.62 1.01 0.24 -2.44 121.20 121.41 2jx9 s ILE 56 Ca 0.06 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.60 2jx9 s ILE 56 Cb -0.07 -3.58 0.10 0.00 0.01 0.00 0.00 42.46 38.92 2jx9 s ILE 56 CO 0.00 0.21 0.09 0.00 0.00 0.00 0.00 174.94 175.25 2jx9 s MET 57 N -1.63 0.69 0.09 2.79 0.23 -0.49 -1.27 119.30 119.71 2jx9 s MET 57 Ca 0.48 -1.01 -0.31 0.00 -1.03 0.00 0.00 55.69 53.82 2jx9 s MET 57 Cb -0.38 -1.95 -0.09 0.00 -1.53 0.00 0.00 34.83 30.88 2jx9 s MET 57 CO 0.50 -0.97 1.70 0.08 -2.03 0.00 0.00 175.02 174.30 2jx9 s VAL 58 N 1.65 2.87 -0.25 5.16 1.01 -1.26 -2.41 120.40 127.16 2jx9 s VAL 58 Ca 0.09 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2jx9 s VAL 58 Cb -0.17 -3.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 2jx9 s VAL 58 CO -0.25 0.00 -0.32 -0.62 0.00 0.00 0.00 175.10 173.91 2jx9 n GLU 59 N 5.55 0.55 -3.75 2.72 1.02 -0.05 -4.97 120.64 121.71 2jx9 n GLU 59 Ca 0.16 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.40 2jx9 n GLU 59 Cb 0.40 -1.42 -0.08 0.00 -0.02 0.00 0.00 31.44 30.32 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 -7.18 -0.20 -0.11 1.62 0.01 -1.00 -5.03 114.94 103.06 2jx9 s ASN 60 Ca -0.35 0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 51.55 2jx9 s ASN 60 Cb 0.13 0.33 0.12 0.00 0.41 0.00 0.00 41.25 42.24 2jx9 s ASN 60 CO 0.46 -0.48 1.04 0.00 -1.51 0.00 0.00 177.10 176.61 2jx9 s ALA 61 N -1.50 -1.94 -0.05 0.60 0.00 -1.26 -0.29 121.76 117.32 2jx9 s ALA 61 Ca -0.12 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 2jx9 s ALA 61 Cb -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2jx9 s ALA 61 CO 0.03 -0.56 0.34 1.21 0.00 0.00 0.00 175.76 176.79 2jx9 s ASN 62 N -2.02 -0.27 -0.19 0.00 2.47 -0.60 -4.02 114.94 110.31 2jx9 s ASN 62 Ca 0.05 0.31 -0.00 0.00 0.42 0.00 0.00 52.86 53.64 2jx9 s ASN 62 Cb -0.01 0.46 0.01 0.00 -1.45 0.00 0.00 41.25 40.26 2jx9 s ASN 62 CO -0.05 -0.36 -0.16 -0.47 -3.72 0.00 0.00 177.10 172.35 2jx9 s TYR 63 N -0.85 2.82 0.00 0.43 5.04 -1.25 -1.93 117.35 121.60 2jx9 s TYR 63 Ca -0.09 -1.40 0.00 0.00 -2.44 0.00 0.00 57.07 53.13 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 0.03 -0.71 0.00 0.41 -1.34 0.00 0.00 175.55 173.95 2jx9 n GLY 64 N 4.60 -0.30 3.29 8.97 0.00 0.15 -2.89 105.19 119.01 2jx9 n GLY 64 Ca -0.20 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.25 0.49 -0.02 1.61 3.52 -0.64 0.27 118.95 123.93 2jx9 s ARG 65 Ca 0.00 1.08 0.04 0.00 -0.13 0.00 0.00 55.73 56.72 2jx9 s ARG 65 Cb 0.00 0.45 0.09 0.00 -1.56 0.00 0.00 34.95 33.93 2jx9 s ARG 65 CO 0.00 -0.42 1.07 0.25 -0.81 0.00 0.00 175.30 175.38 2jx9 n THR 66 N 5.42 1.11 -3.69 4.11 -2.24 -1.26 0.39 114.28 118.12 2jx9 n THR 66 Ca -0.06 -1.14 -0.03 0.00 -2.27 0.00 0.00 64.05 60.55 2jx9 n THR 66 Cb 0.50 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 2jx9 n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jx9 n ASP 67 N -0.42 -0.23 0.00 3.42 2.03 -1.26 -4.71 116.55 115.39 2jx9 n ASP 67 Ca 0.04 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 54.01 2jx9 n ASP 67 Cb 0.33 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 2jx9 n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jx9 n ASP 68 N -2.11 0.00 -1.18 1.67 5.75 -1.26 -4.37 116.55 115.05 2jx9 n ASP 68 Ca 0.00 -0.76 0.12 0.00 -0.01 0.00 0.00 54.79 54.14 2jx9 n ASP 68 Cb 0.10 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.43 2jx9 n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jx9 n LYS 69 N 0.00 2.55 -4.68 0.11 5.02 -1.26 -4.87 118.16 115.02 2jx9 n LYS 69 Ca 0.00 -2.37 -0.33 0.00 -2.02 0.00 0.00 58.31 53.59 2jx9 n LYS 69 Cb 0.19 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.34 3.44 -0.60 -0.18 -1.09 -1.26 -4.74 121.20 115.42 2jx9 s ILE 70 Ca 0.40 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 58.15 2jx9 s ILE 70 Cb 0.23 -2.42 0.02 0.00 -1.58 0.00 0.00 42.46 38.71 2jx9 s ILE 70 CO 0.31 0.56 0.65 0.00 -1.23 0.00 0.00 174.94 175.23 2jx9 n ASP 72 N -1.16 3.71 -0.46 0.00 -0.08 -1.26 -4.94 116.55 112.36 2jx9 n ASP 72 Ca -0.03 0.95 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 2jx9 n ASP 72 Cb 0.55 -1.43 0.00 0.00 2.34 0.00 0.00 41.12 42.58 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jx9 n ALA 73 N 6.95 0.00 -1.75 -1.67 0.00 -1.26 -5.10 120.51 117.68 2jx9 n ALA 73 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 2jx9 n ALA 73 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.16 3.94 -0.15 0.00 5.75 -1.26 -4.85 116.55 118.82 2jx9 n ASP 74 Ca 0.00 1.14 0.18 0.00 -0.01 0.00 0.00 54.79 56.10 2jx9 n ASP 74 Cb 0.00 -1.60 0.56 0.00 -1.03 0.00 0.00 41.12 39.05 2jx9 n ASP 74 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2jx9 h PRO 75 N 5.05 0.30 -0.57 0.11 0.13 -1.99 -1.21 132.00 133.82 2jx9 h PRO 75 Ca -0.47 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2jx9 h PRO 75 Cb 1.22 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2jx9 h PRO 75 CO 0.81 0.20 0.11 0.74 -0.23 0.00 0.00 178.00 179.63 2jx9 h PHE 76 N 0.31 0.93 -0.07 1.56 -1.00 -1.97 0.19 116.94 116.89 2jx9 h PHE 76 Ca 0.38 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2jx9 h PHE 76 Cb 1.02 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.32 2jx9 h PHE 76 CO -0.00 0.79 0.00 1.04 -1.61 0.00 0.00 178.31 178.53 2jx9 n GLN 77 N -4.25 1.46 0.00 1.51 6.02 -0.49 -3.51 117.38 118.12 2jx9 n GLN 77 Ca 0.04 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 2jx9 n GLN 77 Cb 0.25 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 -0.13 -0.78 -0.03 -1.09 2.81 -0.53 0.19 117.12 117.57 2jx9 n MET 78 Ca 0.18 -0.45 -0.12 0.00 -1.81 0.00 0.00 57.70 55.50 2jx9 n MET 78 Cb 0.25 -0.94 -0.07 0.00 -0.71 0.00 0.00 33.22 31.75 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 0.00 0.17 -6.28 0.03 5.08 -0.72 -3.41 114.58 109.45 2jx9 h GLU 79 Ca 0.00 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.74 2jx9 h GLU 79 Cb 0.05 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 2jx9 h GLU 79 CO 0.00 0.36 0.88 1.21 -1.00 0.00 0.00 179.01 180.46 2jx9 s ASN 80 N -5.60 6.88 -0.51 1.42 2.47 -1.26 -4.90 114.94 113.45 2jx9 s ASN 80 Ca -0.14 1.20 0.02 0.00 0.42 0.00 0.00 52.86 54.36 2jx9 s ASN 80 Cb 0.05 -2.54 0.50 0.00 -1.45 0.00 0.00 41.25 37.81 2jx9 s ASN 80 CO 0.69 -0.90 1.79 1.33 -3.72 0.00 0.00 177.10 176.30 2jx9 n VAL 81 N 5.84 3.21 -3.39 -5.21 0.24 -1.26 -4.69 118.33 113.07 2jx9 n VAL 81 Ca 0.13 -2.95 -0.26 0.00 -2.04 0.00 0.00 64.34 59.22 2jx9 n VAL 81 Cb 0.47 -0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 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 -3.61 0.79 -0.16 7.34 -1.52 -0.86 -4.04 119.66 117.60 2jx9 s GLN 82 Ca 0.58 -1.78 -0.04 0.00 -1.95 0.00 0.00 55.36 52.17 2jx9 s GLN 82 Cb 0.47 -1.29 0.08 0.00 -0.22 0.00 0.00 33.01 32.05 2jx9 s GLN 82 CO 0.02 -1.33 0.27 0.00 -0.25 0.00 0.00 175.29 174.01 2jx9 s TYR 84 N 2.42 1.36 -0.36 0.00 1.51 -1.26 -1.63 117.35 119.39 2jx9 s TYR 84 Ca 0.03 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.47 2jx9 s TYR 84 Cb -0.13 -0.69 0.15 0.00 -0.11 0.00 0.00 41.96 41.18 2jx9 s TYR 84 CO -0.10 0.14 0.34 -1.17 -1.11 0.00 0.00 175.55 173.64 2jx9 s LEU 85 N -2.84 0.14 0.24 -1.29 2.96 -1.14 -4.80 118.68 111.94 2jx9 s LEU 85 Ca 0.13 -1.67 -0.07 0.00 -0.22 0.00 0.00 54.13 52.31 2jx9 s LEU 85 Cb -0.01 0.36 0.41 0.00 0.50 0.00 0.00 46.19 47.45 2jx9 s LEU 85 CO 0.02 -0.28 1.67 -0.65 -1.32 0.00 0.00 176.35 175.80 2jx9 h PRO 86 N 7.11 0.19 0.00 0.98 0.11 -1.90 -0.49 132.00 137.99 2jx9 h PRO 86 Ca 0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2jx9 h PRO 86 Cb 1.04 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2jx9 h PRO 86 CO 0.22 0.12 0.10 -0.44 -0.21 0.00 0.00 178.00 177.79 2jx9 h ASP 87 N 0.19 0.00 -0.69 -2.05 3.32 -1.96 -1.97 116.42 113.26 2jx9 h ASP 87 Ca 0.39 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.55 2jx9 h ASP 87 Cb 0.66 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 2jx9 h ASP 87 CO -0.54 0.00 0.46 0.00 -1.72 0.00 0.00 179.24 177.43 2jx9 h ALA 88 N 1.78 1.98 -0.24 3.45 0.00 -1.39 -1.54 119.26 123.30 2jx9 h ALA 88 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jx9 h ALA 88 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jx9 h ALA 88 CO 0.00 -0.14 0.03 0.35 0.00 0.00 0.00 179.25 179.49 2jx9 h PHE 89 N 0.49 0.43 -0.64 0.00 3.57 -1.49 -2.71 116.94 116.59 2jx9 h PHE 89 Ca 0.32 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 2jx9 h PHE 89 Cb 0.60 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2jx9 h PHE 89 CO -0.00 0.54 0.15 1.57 -2.23 0.00 0.00 178.31 178.34 2jx9 h LYS 90 N 0.20 1.03 -0.07 1.11 5.09 -1.48 0.26 116.57 122.71 2jx9 h LYS 90 Ca 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 60.65 60.56 2jx9 h LYS 90 Cb 0.35 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 32.54 2jx9 h LYS 90 CO 0.01 0.93 0.04 0.82 -2.09 0.00 0.00 179.45 179.16 2jx9 h ILE 91 N 0.95 1.03 -0.17 0.07 2.04 -1.30 -1.93 117.51 118.19 2jx9 h ILE 91 Ca 0.20 -0.08 -0.17 0.00 1.00 0.00 0.00 64.86 65.81 2jx9 h ILE 91 Cb 0.37 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2jx9 h ILE 91 CO 0.00 0.03 -0.59 0.24 0.00 0.00 0.00 178.15 177.83 2jx9 h MET 92 N 0.08 0.56 -0.69 2.37 2.86 -1.39 -2.46 114.93 116.26 2jx9 h MET 92 Ca 0.03 -0.38 0.08 0.00 -2.06 0.00 0.00 59.70 57.36 2jx9 h MET 92 Cb 0.01 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 2jx9 h MET 92 CO -0.01 0.99 0.36 0.77 1.06 0.00 0.00 176.91 180.09 2jx9 h SER 93 N 0.42 0.51 -0.32 1.22 0.02 -0.29 0.58 113.55 115.69 2jx9 h SER 93 Ca -0.00 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2jx9 h SER 93 Cb 1.15 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2jx9 h SER 93 CO 0.11 0.31 -0.23 1.56 -1.14 0.00 0.00 176.83 177.44 2jx9 h GLN 94 N 0.65 0.81 -0.00 3.45 4.20 -1.30 0.11 115.11 123.02 2jx9 h GLN 94 Ca 0.32 -0.34 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 2jx9 h GLN 94 Cb 0.27 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jx9 h GLN 94 CO -0.22 0.96 -0.90 0.00 -0.67 0.00 0.00 178.83 178.00 2jx9 h ARG 95 N 0.70 0.31 0.00 1.46 3.08 -0.70 -3.38 114.38 115.86 2jx9 h ARG 95 Ca 0.09 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2jx9 h ARG 95 Cb 0.76 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2jx9 h ARG 95 CO 0.06 1.03 -1.46 0.00 -1.07 0.00 0.00 179.97 178.53 2jx9 n ASN 97 N -1.85 3.52 -0.42 0.00 3.02 0.39 -1.81 115.26 118.09 2jx9 n ASN 97 Ca -0.02 1.17 -0.06 0.00 -0.03 0.00 0.00 54.58 55.65 2jx9 n ASN 97 Cb 0.27 -1.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.86 2jx9 n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jx9 n ASN 98 N 1.54 -5.10 -4.52 6.41 4.13 -0.40 -4.96 115.26 112.37 2jx9 n ASN 98 Ca 0.07 0.14 -0.31 0.00 1.68 0.00 0.00 54.58 56.16 2jx9 n ASN 98 Cb 0.36 -3.08 -0.11 0.00 -1.54 0.00 0.00 39.78 35.41 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 -2.13 2.17 0.31 3.52 0.52 -0.75 -4.82 118.95 117.77 2jx9 s ARG 99 Ca 0.00 -0.94 0.09 0.00 -0.52 0.00 0.00 55.73 54.36 2jx9 s ARG 99 Cb 0.00 -2.28 0.51 0.00 0.52 0.00 0.00 34.95 33.70 2jx9 s ARG 99 CO 0.00 0.54 1.71 1.15 0.02 0.00 0.00 175.30 178.73 2jx9 h THR 100 N 3.74 1.33 -3.36 0.02 2.02 -1.85 0.70 112.91 115.50 2jx9 h THR 100 Ca -0.48 -1.61 -0.09 0.00 0.77 0.00 0.00 66.41 65.00 2jx9 h THR 100 Cb 1.16 1.82 -0.16 0.00 -1.74 0.00 0.00 68.15 69.23 2jx9 h THR 100 CO 0.50 0.47 -0.23 0.00 0.37 0.00 0.00 175.52 176.62 2jx9 s GLN 101 N -4.01 0.85 -0.18 6.66 1.03 -1.26 -0.14 119.66 122.62 2jx9 s GLN 101 Ca -0.03 -0.58 -0.10 0.00 0.04 0.00 0.00 55.36 54.69 2jx9 s GLN 101 Cb 0.13 0.37 0.06 0.00 0.03 0.00 0.00 33.01 33.60 2jx9 s GLN 101 CO 0.76 -0.28 0.44 0.00 -2.54 0.00 0.00 175.29 173.66 2jx9 s VAL 103 N 1.41 2.88 -0.01 0.00 1.01 -1.26 -1.80 120.40 122.63 2jx9 s VAL 103 Ca -0.09 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 2jx9 s VAL 103 Cb -0.08 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2jx9 s VAL 103 CO -0.13 0.54 0.18 -0.69 0.00 0.00 0.00 175.10 175.00 2jx9 s VAL 104 N 0.18 0.07 -0.26 2.92 1.01 -0.94 -4.98 120.40 118.39 2jx9 s VAL 104 Ca -0.09 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 2jx9 s VAL 104 Cb -0.15 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2jx9 s VAL 104 CO 0.05 -0.31 0.99 -0.69 0.00 0.00 0.00 175.10 175.14 2jx9 s VAL 105 N -1.20 4.67 0.00 2.92 1.01 -1.26 -0.42 120.40 126.11 2jx9 s VAL 105 Ca -0.13 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2jx9 s VAL 105 Cb -0.06 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2jx9 s VAL 105 CO 0.02 -0.25 1.08 0.00 0.00 0.00 0.00 175.10 175.95 2jx9 n ALA 106 N 6.41 2.82 -2.00 5.51 0.00 -0.84 -4.60 120.51 127.81 2jx9 n ALA 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2jx9 n ALA 106 Cb 0.47 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.50 -0.35 1.62 0.00 0.00 -1.26 -2.28 105.19 104.43 2jx9 n GLY 107 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.51 113.62 116.34 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 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.93 0.00 0.08 -3.46 8.00 -1.26 -2.19 116.55 116.79 2jx9 n ASP 109 Ca 0.00 -0.60 0.13 0.00 0.71 0.00 0.00 54.79 55.02 2jx9 n ASP 109 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.87 2.60 -3.73 2.24 0.00 -0.56 -4.80 120.51 115.39 2jx9 n ALA 110 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2jx9 n ALA 110 Cb 0.04 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.12 -0.23 0.00 0.00 0.08 0.34 -4.91 117.98 110.14 2jx9 s PHE 111 Ca 0.09 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2jx9 s PHE 111 Cb 0.13 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.56 2jx9 s PHE 111 CO 0.65 -0.19 0.00 -2.30 -0.10 0.00 0.00 175.22 173.27 2jx9 n PRO 112 N 4.20 3.08 -3.34 0.24 -0.02 -1.26 -4.65 135.00 133.24 2jx9 n PRO 112 Ca -0.26 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.01 2jx9 n PRO 112 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.92 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 -2.41 1.45 0.00 2.55 -1.08 -1.26 -4.96 116.67 110.95 2jx9 s ASP 113 Ca 0.00 -2.14 0.24 0.00 -0.52 0.00 0.00 52.55 50.13 2jx9 s ASP 113 Cb 0.00 0.18 1.23 0.00 -1.46 0.00 0.00 42.92 42.87 2jx9 s ASP 113 CO 0.00 -0.23 1.79 -0.81 0.52 0.00 0.00 175.17 176.44 2jx9 n PRO 114 N 3.71 0.39 -2.70 4.34 -0.04 -1.26 -4.34 135.00 135.10 2jx9 n PRO 114 Ca 0.17 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 2jx9 n PRO 114 Cb 0.45 -1.50 0.05 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 2.00 0.94 -0.94 0.00 -0.02 -1.26 -2.08 135.00 133.64 2jx9 n PRO 116 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2jx9 n PRO 116 Cb 0.65 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.36 0.72 3.39 -1.23 0.00 -1.26 -5.00 105.19 103.17 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 -3.06 2.36 -0.49 2.61 2.01 -0.89 -4.45 115.64 113.74 2jx9 s THR 118 Ca 0.00 -1.48 -0.27 0.00 0.31 0.00 0.00 61.69 60.25 2jx9 s THR 118 Cb 0.00 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.55 2jx9 s THR 118 CO 0.00 0.25 1.03 -0.47 -0.69 0.00 0.00 174.62 174.74 2jx9 s TYR 119 N -0.94 2.84 0.00 4.92 6.14 0.50 -4.98 117.35 125.83 2jx9 s TYR 119 Ca 0.14 0.47 0.00 0.00 0.64 0.00 0.00 57.07 58.31 2jx9 s TYR 119 Cb -0.10 -4.21 0.00 0.00 0.42 0.00 0.00 41.96 38.07 2jx9 s TYR 119 CO 0.05 -1.24 0.00 1.63 0.64 0.00 0.00 175.55 176.63 2jx9 n LYS 120 N 7.58 1.06 -3.73 4.97 5.02 -1.26 -4.77 118.16 127.04 2jx9 n LYS 120 Ca 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 2jx9 n LYS 120 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.49 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 0.27 -0.07 -0.11 2.13 -0.85 0.75 -2.25 117.35 117.21 2jx9 s TYR 121 Ca 0.00 -0.16 -0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2jx9 s TYR 121 Cb 0.00 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.97 2jx9 s TYR 121 CO 0.00 -0.61 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.17 2jx9 s LEU 122 N -3.04 1.20 -0.16 -3.49 2.96 -0.85 -0.67 118.68 114.62 2jx9 s LEU 122 Ca 0.15 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2jx9 s LEU 122 Cb 0.01 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 2jx9 s LEU 122 CO 0.00 -0.11 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.11 2jx9 s GLU 123 N 1.64 3.33 -0.07 1.98 -6.30 -0.81 -2.18 118.70 116.29 2jx9 s GLU 123 Ca 0.04 -0.68 -0.01 0.00 -2.50 0.00 0.00 54.97 51.82 2jx9 s GLU 123 Cb -0.13 -2.74 0.03 0.00 0.00 0.00 0.00 34.13 31.29 2jx9 s GLU 123 CO -0.07 0.03 -0.02 0.08 0.02 0.00 0.00 175.26 175.30 2jx9 s VAL 124 N 0.82 0.51 -0.19 3.70 1.01 -0.86 -1.56 120.40 123.83 2jx9 s VAL 124 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2jx9 s VAL 124 Cb -0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2jx9 s VAL 124 CO 0.01 0.27 0.03 -1.10 0.00 0.00 0.00 175.10 174.31 2jx9 s GLN 125 N 1.66 3.80 0.22 2.72 -0.21 0.60 -2.33 119.66 126.12 2jx9 s GLN 125 Ca 0.01 -0.43 -0.11 0.00 0.02 0.00 0.00 55.36 54.85 2jx9 s GLN 125 Cb -0.13 -3.15 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 2jx9 s GLN 125 CO -0.04 0.14 0.40 1.52 -2.12 0.00 0.00 175.29 175.18 2jx9 s TYR 126 N 0.70 0.41 0.22 0.91 1.13 -0.37 -0.87 117.35 119.48 2jx9 s TYR 126 Ca 0.02 -0.76 0.09 0.00 -1.41 0.00 0.00 57.07 55.01 2jx9 s TYR 126 Cb -0.14 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.74 2jx9 s TYR 126 CO 0.02 -0.88 -0.16 -0.51 -2.51 0.00 0.00 175.55 171.52 2jx9 s ASP 127 N -3.01 2.82 -0.21 -0.18 1.11 -1.01 -2.05 116.67 114.14 2jx9 s ASP 127 Ca 0.22 -1.03 -0.04 0.00 0.18 0.00 0.00 52.55 51.88 2jx9 s ASP 127 Cb 0.01 -0.18 -0.01 0.00 1.07 0.00 0.00 42.92 43.81 2jx9 s ASP 127 CO 0.06 -0.12 -0.03 0.00 1.18 0.00 0.00 175.17 176.26 2jx9 s VAL 129 N 1.26 2.07 0.49 0.00 -7.23 -1.02 -4.86 120.40 111.10 2jx9 s VAL 129 Ca 0.03 -2.07 -0.23 0.00 -1.81 0.00 0.00 61.98 57.90 2jx9 s VAL 129 Cb -0.14 -2.02 -0.07 0.00 0.56 0.00 0.00 36.38 34.71 2jx9 s VAL 129 CO -0.01 -0.31 1.34 -2.84 -0.31 0.00 0.00 175.10 172.98 2jx9 s PRO 130 N -2.99 3.49 0.00 4.82 0.02 -1.26 -0.22 135.00 138.86 2jx9 s PRO 130 Ca 0.20 2.21 0.28 0.00 0.02 0.00 0.00 61.00 63.72 2jx9 s PRO 130 Cb -0.06 -2.46 1.34 0.00 0.02 0.00 0.00 34.50 33.34 2jx9 s PRO 130 CO 0.09 -0.90 1.95 0.98 -0.33 0.00 0.00 177.00 178.79 2jx9 n TYR 131 N -0.55 0.00 -3.36 6.54 9.36 -1.22 -4.78 117.16 123.15 2jx9 n TYR 131 Ca 0.07 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.03 2jx9 n TYR 131 Cb 0.44 -0.38 -0.02 0.00 -0.63 0.00 0.00 39.34 38.75 2jx9 n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jx9 s LYS 132 N -2.76 3.55 -0.08 2.98 1.02 -1.26 -5.08 119.74 118.11 2jx9 s LYS 132 Ca 0.21 -0.16 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 2jx9 s LYS 132 Cb 0.19 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 2jx9 s LYS 132 CO 0.47 0.19 0.36 0.14 -0.92 0.00 0.00 175.35 175.58 2jx9 s VAL 133 N -2.19 5.19 0.00 3.17 -7.23 -1.26 -5.19 120.40 112.89 2jx9 s VAL 133 Ca 0.42 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.30 2jx9 s VAL 133 Cb -0.10 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2jx9 s VAL 133 CO 0.33 0.48 0.00 -0.62 -0.31 0.00 0.00 175.10 174.98