#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 n LEU 30 N 0.00 -3.46 -4.75 0.99 4.32 -1.26 -4.91 117.00 107.93 2jx9 n LEU 30 Ca 0.00 -0.73 -0.38 0.00 -0.02 0.00 0.00 56.01 54.88 2jx9 n LEU 30 Cb 0.00 -2.85 0.04 0.00 -1.62 0.00 0.00 43.42 38.99 2jx9 n LEU 30 CO 0.00 0.41 0.97 -2.16 -1.22 0.00 0.00 177.39 175.39 2jx9 s PRO 31 N -5.77 3.08 0.00 3.23 0.04 -1.26 -4.90 135.00 129.42 2jx9 s PRO 31 Ca 0.04 2.20 0.28 0.00 0.04 0.00 0.00 61.00 63.56 2jx9 s PRO 31 Cb -0.02 -2.21 1.25 0.00 0.04 0.00 0.00 34.50 33.56 2jx9 s PRO 31 CO 0.78 -1.22 1.92 1.19 0.04 0.00 0.00 177.00 179.70 2jx9 n PHE 32 N -1.13 0.00 -0.75 0.56 3.01 -1.26 -4.88 117.46 113.01 2jx9 n PHE 32 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2jx9 n PHE 32 Cb 0.45 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jx9 n GLY 33 N 1.37 0.50 3.03 1.37 0.00 -1.26 -4.82 105.19 105.39 2jx9 n GLY 33 Ca 0.08 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 -1.15 0.57 0.99 2.96 -1.26 -5.12 118.68 115.67 2jx9 s LEU 34 Ca 0.00 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 2jx9 s LEU 34 Cb 0.00 1.47 0.00 0.00 0.50 0.00 0.00 46.19 48.16 2jx9 s LEU 34 CO 0.00 -0.12 0.00 0.23 -1.32 0.00 0.00 176.35 175.14 2jx9 n MET 35 N 4.02 -4.75 -3.42 1.98 2.81 -1.26 -4.92 117.12 111.58 2jx9 n MET 35 Ca 0.10 3.57 -0.33 0.00 -1.81 0.00 0.00 57.70 59.23 2jx9 n MET 35 Cb 0.59 -4.11 -0.05 0.00 -0.71 0.00 0.00 33.22 28.93 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 -4.04 3.84 -0.09 0.03 0.52 -0.30 -4.62 118.95 114.28 2jx9 s ARG 36 Ca 0.00 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.45 2jx9 s ARG 36 Cb 0.00 -2.75 0.03 0.00 0.52 0.00 0.00 34.95 32.75 2jx9 s ARG 36 CO 0.00 0.38 0.24 0.50 0.02 0.00 0.00 175.30 176.44 2jx9 s ARG 37 N -2.53 0.24 0.02 3.54 3.52 -1.26 -1.42 118.95 121.07 2jx9 s ARG 37 Ca 0.44 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.46 2jx9 s ARG 37 Cb -0.12 0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.28 2jx9 s ARG 37 CO 0.21 -0.08 -0.08 -1.21 -0.81 0.00 0.00 175.30 173.32 2jx9 s GLU 38 N 0.57 0.58 -0.00 5.12 8.01 -0.67 -5.00 118.70 127.31 2jx9 s GLU 38 Ca -0.04 -0.56 -0.00 0.00 0.01 0.00 0.00 54.97 54.38 2jx9 s GLU 38 Cb -0.05 -0.48 0.00 0.00 -4.31 0.00 0.00 34.13 29.29 2jx9 s GLU 38 CO -0.03 0.11 0.01 -1.17 0.01 0.00 0.00 175.26 174.19 2jx9 s LEU 39 N -0.97 1.93 -0.01 1.80 0.20 -1.26 -1.06 118.68 119.32 2jx9 s LEU 39 Ca -0.03 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.82 2jx9 s LEU 39 Cb -0.07 0.04 0.00 0.00 -0.43 0.00 0.00 46.19 45.74 2jx9 s LEU 39 CO 0.00 -0.01 -0.04 0.00 -0.29 0.00 0.00 176.35 176.02 2jx9 s ALA 40 N 0.03 0.38 0.30 5.97 0.00 -0.62 -4.97 121.76 122.85 2jx9 s ALA 40 Ca -0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 2jx9 s ALA 40 Cb -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 2jx9 s ALA 40 CO -0.00 0.05 1.21 0.00 0.00 0.00 0.00 175.76 177.03 2jx9 n GLU 42 N 1.08 1.03 0.00 0.00 2.13 -0.86 -2.01 120.64 122.01 2jx9 n GLU 42 Ca -0.00 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2jx9 n GLU 42 Cb 0.43 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 1.91 3.13 3.66 8.31 0.00 -0.99 -4.91 105.19 116.30 2jx9 n GLY 43 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.73 2.95 0.68 1.61 2.02 -0.85 -4.81 117.35 116.21 2jx9 s TYR 44 Ca 0.00 -0.04 -0.15 0.00 -0.37 0.00 0.00 57.07 56.51 2jx9 s TYR 44 Cb 0.00 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 40.03 2jx9 s TYR 44 CO 0.00 0.46 1.14 -1.25 -1.57 0.00 0.00 175.55 174.33 2jx9 s PRO 45 N -2.11 2.62 0.03 -1.71 0.04 -1.26 -2.09 135.00 130.51 2jx9 s PRO 45 Ca 0.23 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.85 2jx9 s PRO 45 Cb -0.11 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2jx9 s PRO 45 CO 0.15 -1.41 -0.19 -1.50 0.04 0.00 0.00 177.00 174.10 2jx9 s ILE 46 N -2.21 2.74 -0.10 0.56 2.07 0.81 -4.80 121.20 120.26 2jx9 s ILE 46 Ca 0.69 -1.14 0.02 0.00 -1.41 0.00 0.00 60.65 58.82 2jx9 s ILE 46 Cb -0.23 -2.13 0.01 0.00 0.13 0.00 0.00 42.46 40.24 2jx9 s ILE 46 CO 0.42 0.38 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.97 2jx9 s GLU 47 N -1.29 2.29 -0.01 3.50 2.12 -1.26 -2.24 118.70 121.81 2jx9 s GLU 47 Ca 0.14 -0.60 0.07 0.00 0.36 0.00 0.00 54.97 54.94 2jx9 s GLU 47 Cb -0.10 -1.89 -0.02 0.00 0.26 0.00 0.00 34.13 32.37 2jx9 s GLU 47 CO 0.04 -0.00 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.03 2jx9 s LEU 48 N 0.81 2.30 -0.12 2.70 1.43 -0.74 -4.99 118.68 120.06 2jx9 s LEU 48 Ca -0.10 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 2jx9 s LEU 48 Cb -0.16 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.70 2jx9 s LEU 48 CO 0.01 0.31 0.31 -0.13 0.23 0.00 0.00 176.35 177.08 2jx9 s ARG 49 N -0.80 0.33 0.04 1.70 0.52 -1.26 -1.89 118.95 117.59 2jx9 s ARG 49 Ca 0.11 0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 2jx9 s ARG 49 Cb -0.10 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2jx9 s ARG 49 CO 0.00 -0.09 0.11 0.00 0.02 0.00 0.00 175.30 175.34 2jx9 s PRO 51 N -2.12 3.24 4.77 0.00 0.04 -1.26 -4.75 135.00 134.92 2jx9 s PRO 51 Ca 0.27 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2jx9 s PRO 51 Cb -0.12 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2jx9 s PRO 51 CO 0.20 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2jx9 n GLY 52 N -1.50 3.03 1.36 0.56 0.00 -1.26 -1.84 105.19 105.54 2jx9 n GLY 52 Ca 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 2.72 3.14 -4.84 1.61 3.41 -1.26 -5.01 113.62 113.39 2jx9 n SER 53 Ca 0.00 -3.56 -0.30 0.00 -0.26 0.00 0.00 58.87 54.75 2jx9 n SER 53 Cb 0.00 -0.66 0.06 0.00 -0.26 0.00 0.00 64.21 63.35 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 -2.10 5.10 0.04 4.04 1.01 -0.77 -2.21 116.67 121.78 2jx9 s ASP 54 Ca 0.47 1.27 0.07 0.00 0.71 0.00 0.00 52.55 55.06 2jx9 s ASP 54 Cb 0.41 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.25 2jx9 s ASP 54 CO 0.04 -1.58 -0.19 0.68 0.21 0.00 0.00 175.17 174.34 2jx9 s VAL 55 N -3.23 1.50 0.28 -1.27 -7.23 0.31 -4.32 120.40 106.44 2jx9 s VAL 55 Ca 0.59 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 59.32 2jx9 s VAL 55 Cb -0.13 -1.32 -0.10 0.00 0.56 0.00 0.00 36.38 35.40 2jx9 s VAL 55 CO 0.53 0.14 1.29 -0.63 -0.31 0.00 0.00 175.10 176.11 2jx9 s ILE 56 N -0.82 2.96 -0.33 -0.62 1.01 0.30 -2.19 121.20 121.51 2jx9 s ILE 56 Ca 0.06 0.90 -0.00 0.00 0.00 0.00 0.00 60.65 61.61 2jx9 s ILE 56 Cb -0.09 -3.58 0.10 0.00 0.01 0.00 0.00 42.46 38.91 2jx9 s ILE 56 CO 0.02 0.19 0.11 0.00 0.00 0.00 0.00 174.94 175.26 2jx9 s MET 57 N -1.17 0.81 0.06 2.79 0.23 -0.27 -1.66 119.30 120.09 2jx9 s MET 57 Ca 0.51 -1.23 -0.31 0.00 -1.03 0.00 0.00 55.69 53.64 2jx9 s MET 57 Cb -0.38 -2.08 -0.08 0.00 -1.53 0.00 0.00 34.83 30.76 2jx9 s MET 57 CO 0.46 -1.01 1.66 0.08 -2.03 0.00 0.00 175.02 174.19 2jx9 s VAL 58 N 1.42 3.05 -0.26 5.16 1.01 -1.26 -2.33 120.40 127.18 2jx9 s VAL 58 Ca 0.11 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 2jx9 s VAL 58 Cb -0.18 -3.31 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 2jx9 s VAL 58 CO -0.21 -0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.96 2jx9 n GLU 59 N 5.70 0.58 -3.77 2.72 -0.58 -0.46 -4.95 120.64 119.88 2jx9 n GLU 59 Ca 0.16 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2jx9 n GLU 59 Cb 0.41 -1.46 -0.09 0.00 -0.57 0.00 0.00 31.44 29.73 2jx9 n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2jx9 s ASN 60 N -7.12 -0.22 -0.09 1.62 0.01 -1.05 -5.04 114.94 103.05 2jx9 s ASN 60 Ca -0.36 0.21 -0.30 0.00 -0.71 0.00 0.00 52.86 51.70 2jx9 s ASN 60 Cb 0.13 0.40 0.10 0.00 0.41 0.00 0.00 41.25 42.28 2jx9 s ASN 60 CO 0.49 -0.36 0.83 0.00 -1.51 0.00 0.00 177.10 176.56 2jx9 s ALA 61 N -0.95 -1.84 -0.06 0.60 0.00 -1.26 -0.08 121.76 118.17 2jx9 s ALA 61 Ca -0.10 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 2jx9 s ALA 61 Cb -0.05 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2jx9 s ALA 61 CO 0.03 -0.38 0.35 1.21 0.00 0.00 0.00 175.76 176.97 2jx9 s ASN 62 N -1.31 -0.28 -0.19 0.00 2.47 -0.31 -3.56 114.94 111.76 2jx9 s ASN 62 Ca -0.05 0.34 -0.01 0.00 0.42 0.00 0.00 52.86 53.57 2jx9 s ASN 62 Cb -0.00 0.48 0.01 0.00 -1.45 0.00 0.00 41.25 40.28 2jx9 s ASN 62 CO 0.04 -0.34 -0.15 -0.47 -3.72 0.00 0.00 177.10 172.46 2jx9 s TYR 63 N -0.79 2.83 0.00 0.43 5.04 -1.26 -1.71 117.35 121.89 2jx9 s TYR 63 Ca -0.09 -1.36 0.00 0.00 -2.44 0.00 0.00 57.07 53.18 2jx9 s TYR 63 Cb -0.04 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.30 2jx9 s TYR 63 CO 0.03 -0.69 0.00 0.41 -1.34 0.00 0.00 175.55 173.96 2jx9 n GLY 64 N 4.60 -0.51 3.18 8.97 0.00 -0.29 -3.28 105.19 117.85 2jx9 n GLY 64 Ca -0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.52 0.45 -0.01 1.61 3.52 -0.93 -0.57 118.95 121.50 2jx9 s ARG 65 Ca 0.00 0.94 0.02 0.00 -0.13 0.00 0.00 55.73 56.55 2jx9 s ARG 65 Cb 0.00 0.24 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 2jx9 s ARG 65 CO 0.00 -0.49 0.99 0.25 -0.81 0.00 0.00 175.30 175.24 2jx9 n THR 66 N 5.41 1.03 -3.83 4.11 -2.24 -1.26 -0.98 114.28 116.51 2jx9 n THR 66 Ca -0.05 -1.06 -0.06 0.00 -2.27 0.00 0.00 64.05 60.61 2jx9 n THR 66 Cb 0.50 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.56 -0.47 0.00 3.42 2.03 -1.26 -4.80 116.55 114.91 2jx9 n ASP 67 Ca 0.02 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.58 2jx9 n ASP 67 Cb 0.31 0.90 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 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 -2.06 0.00 -1.09 1.67 5.68 -1.26 -4.53 116.55 114.95 2jx9 n ASP 68 Ca 0.01 -1.00 0.11 0.00 -0.50 0.00 0.00 54.79 53.41 2jx9 n ASP 68 Cb 0.22 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.00 2.43 -4.76 0.11 5.02 -1.26 -4.86 118.16 114.83 2jx9 n LYS 69 Ca 0.00 -2.22 -0.33 0.00 -2.02 0.00 0.00 58.31 53.74 2jx9 n LYS 69 Cb 0.28 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.45 3.24 -0.85 -0.18 -1.09 -1.26 -4.70 121.20 114.90 2jx9 s ILE 70 Ca 0.36 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 58.13 2jx9 s ILE 70 Cb 0.21 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 2jx9 s ILE 70 CO 0.30 0.56 0.76 0.00 -1.23 0.00 0.00 174.94 175.33 2jx9 n ASP 72 N -2.26 3.06 -0.44 0.00 2.03 -1.26 -4.94 116.55 112.75 2jx9 n ASP 72 Ca -0.05 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.28 2jx9 n ASP 72 Cb 0.55 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 5.66 0.00 -1.75 -1.67 0.00 -1.26 -5.11 120.51 116.37 2jx9 n ALA 73 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 2jx9 n ALA 73 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.19 3.92 -0.14 0.00 5.68 -1.26 -4.85 116.55 118.71 2jx9 n ASP 74 Ca 0.00 1.15 0.21 0.00 -0.50 0.00 0.00 54.79 55.65 2jx9 n ASP 74 Cb 0.00 -1.60 0.61 0.00 -1.14 0.00 0.00 41.12 38.98 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 4.71 0.20 -0.63 0.11 0.13 -1.99 -1.46 132.00 133.07 2jx9 h PRO 75 Ca -0.47 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2jx9 h PRO 75 Cb 1.22 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2jx9 h PRO 75 CO 0.79 0.13 0.19 0.74 -0.23 0.00 0.00 178.00 179.61 2jx9 h PHE 76 N 0.20 0.98 -0.01 1.56 -1.00 -1.98 0.18 116.94 116.87 2jx9 h PHE 76 Ca 0.37 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 61.06 2jx9 h PHE 76 Cb 1.16 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 40.43 2jx9 h PHE 76 CO -0.00 0.79 -0.03 1.04 -1.61 0.00 0.00 178.31 178.50 2jx9 n GLN 77 N -4.27 1.24 0.00 1.51 6.02 -0.57 -3.29 117.38 118.01 2jx9 n GLN 77 Ca 0.05 -0.48 0.03 0.00 -0.01 0.00 0.00 57.00 56.59 2jx9 n GLN 77 Cb 0.22 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.00 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 -0.46 0.48 -0.06 -1.09 2.81 -0.51 -0.75 117.12 117.54 2jx9 n MET 78 Ca 0.20 -0.73 -0.10 0.00 -1.81 0.00 0.00 57.70 55.25 2jx9 n MET 78 Cb 0.25 -1.06 -0.04 0.00 -0.71 0.00 0.00 33.22 31.66 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 0.97 0.30 -6.16 0.03 5.08 -0.69 -3.42 114.58 110.69 2jx9 h GLU 79 Ca 0.00 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.74 2jx9 h GLU 79 Cb 0.22 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2jx9 h GLU 79 CO 0.00 0.32 0.77 1.21 -1.00 0.00 0.00 179.01 180.31 2jx9 s ASN 80 N -5.56 6.94 -0.38 1.42 2.47 -1.26 -4.91 114.94 113.66 2jx9 s ASN 80 Ca -0.13 1.09 0.06 0.00 0.42 0.00 0.00 52.86 54.30 2jx9 s ASN 80 Cb 0.08 -2.52 0.52 0.00 -1.45 0.00 0.00 41.25 37.88 2jx9 s ASN 80 CO 0.71 -0.78 1.60 1.33 -3.72 0.00 0.00 177.10 176.24 2jx9 n VAL 81 N 5.66 2.85 -3.42 -5.21 0.24 -1.26 -4.74 118.33 112.45 2jx9 n VAL 81 Ca 0.11 -2.86 -0.28 0.00 -2.04 0.00 0.00 64.34 59.27 2jx9 n VAL 81 Cb 0.47 -0.61 -0.11 0.00 -1.47 0.00 0.00 33.84 32.12 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 -3.41 0.74 -0.16 7.34 -1.52 -0.80 -4.08 119.66 117.77 2jx9 s GLN 82 Ca 0.51 -1.75 -0.05 0.00 -1.95 0.00 0.00 55.36 52.13 2jx9 s GLN 82 Cb 0.44 -1.35 0.08 0.00 -0.22 0.00 0.00 33.01 31.95 2jx9 s GLN 82 CO 0.02 -1.31 0.27 0.00 -0.25 0.00 0.00 175.29 174.03 2jx9 s TYR 84 N 2.42 1.54 -0.43 0.00 1.51 -1.26 -2.19 117.35 118.94 2jx9 s TYR 84 Ca 0.03 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 2jx9 s TYR 84 Cb -0.13 -0.78 0.17 0.00 -0.11 0.00 0.00 41.96 41.11 2jx9 s TYR 84 CO -0.10 0.21 0.47 -1.17 -1.11 0.00 0.00 175.55 173.85 2jx9 s LEU 85 N -2.65 0.08 0.27 -1.29 2.96 -1.21 -4.82 118.68 112.01 2jx9 s LEU 85 Ca 0.13 -2.18 -0.02 0.00 -0.22 0.00 0.00 54.13 51.84 2jx9 s LEU 85 Cb -0.04 0.58 0.58 0.00 0.50 0.00 0.00 46.19 47.82 2jx9 s LEU 85 CO 0.04 -0.16 1.66 -0.65 -1.32 0.00 0.00 176.35 175.92 2jx9 h PRO 86 N 5.93 0.21 -0.02 0.98 0.11 -1.91 0.29 132.00 137.59 2jx9 h PRO 86 Ca 0.14 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.24 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 0.21 0.14 0.14 -0.44 -0.21 0.00 0.00 178.00 177.84 2jx9 h ASP 87 N 0.22 0.00 -0.68 -2.05 5.19 -1.96 -1.48 116.42 115.66 2jx9 h ASP 87 Ca 0.49 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 57.01 2jx9 h ASP 87 Cb 0.91 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.38 2jx9 h ASP 87 CO -0.61 0.00 0.45 0.00 -3.12 0.00 0.00 179.24 175.97 2jx9 h ALA 88 N 1.73 2.00 -0.43 3.45 0.00 -1.24 -1.33 119.26 123.44 2jx9 h ALA 88 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2jx9 h ALA 88 Cb 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jx9 h ALA 88 CO -0.00 -0.16 0.06 0.35 0.00 0.00 0.00 179.25 179.50 2jx9 h PHE 89 N 0.47 0.77 -0.66 0.00 3.57 -1.31 -2.44 116.94 117.33 2jx9 h PHE 89 Ca 0.32 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 2jx9 h PHE 89 Cb 0.62 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2jx9 h PHE 89 CO -0.00 0.74 0.09 1.57 -2.23 0.00 0.00 178.31 178.48 2jx9 h LYS 90 N 0.58 1.11 0.05 1.11 2.10 -1.41 -0.23 116.57 119.86 2jx9 h LYS 90 Ca 0.13 -0.30 0.01 0.00 -2.00 0.00 0.00 60.65 58.49 2jx9 h LYS 90 Cb 0.39 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2jx9 h LYS 90 CO 0.01 1.02 -0.08 0.82 -2.00 0.00 0.00 179.45 179.22 2jx9 h ILE 91 N 1.03 0.80 -0.52 0.07 2.04 -1.23 -1.35 117.51 118.34 2jx9 h ILE 91 Ca 0.20 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.96 2jx9 h ILE 91 Cb 0.46 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2jx9 h ILE 91 CO 0.02 0.00 -0.07 0.24 0.00 0.00 0.00 178.15 178.34 2jx9 h MET 92 N -0.17 0.94 -0.46 2.37 2.86 -1.33 -2.01 114.93 117.13 2jx9 h MET 92 Ca 0.02 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2jx9 h MET 92 Cb 0.19 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2jx9 h MET 92 CO -0.05 0.97 0.28 0.77 1.06 0.00 0.00 176.91 179.94 2jx9 h SER 93 N 0.85 0.47 -0.50 1.22 0.02 -0.76 0.53 113.55 115.37 2jx9 h SER 93 Ca 0.14 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2jx9 h SER 93 Cb 0.59 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2jx9 h SER 93 CO 0.04 0.34 0.06 1.56 -1.14 0.00 0.00 176.83 177.68 2jx9 h GLN 94 N 0.57 0.90 -0.07 3.45 4.20 -1.12 0.85 115.11 123.90 2jx9 h GLN 94 Ca 0.18 -0.23 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 2jx9 h GLN 94 Cb -0.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2jx9 h GLN 94 CO -0.07 0.86 -0.73 0.00 -0.67 0.00 0.00 178.83 178.22 2jx9 h ARG 95 N 0.85 0.36 0.00 1.46 3.08 -0.59 -3.37 114.38 116.18 2jx9 h ARG 95 Ca 0.17 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2jx9 h ARG 95 Cb 0.42 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2jx9 h ARG 95 CO 0.01 0.94 -1.03 0.00 -1.07 0.00 0.00 179.97 178.82 2jx9 n ASN 97 N -1.58 3.70 -0.39 0.00 5.03 0.30 -1.73 115.26 120.59 2jx9 n ASN 97 Ca -0.00 1.12 -0.05 0.00 0.87 0.00 0.00 54.58 56.52 2jx9 n ASN 97 Cb 0.18 -1.56 -0.02 0.00 -1.02 0.00 0.00 39.78 37.36 2jx9 n ASN 97 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2jx9 n ASN 98 N 2.67 -5.00 -4.49 6.41 4.13 -0.66 -4.96 115.26 113.36 2jx9 n ASN 98 Ca 0.11 0.13 -0.30 0.00 1.68 0.00 0.00 54.58 56.20 2jx9 n ASN 98 Cb 0.35 -2.95 -0.12 0.00 -1.54 0.00 0.00 39.78 35.52 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 -2.05 2.01 0.23 3.52 0.52 -0.70 -4.82 118.95 117.67 2jx9 s ARG 99 Ca 0.00 -1.04 0.09 0.00 -0.52 0.00 0.00 55.73 54.26 2jx9 s ARG 99 Cb 0.00 -2.20 0.21 0.00 0.52 0.00 0.00 34.95 33.49 2jx9 s ARG 99 CO 0.00 0.52 1.53 1.15 0.02 0.00 0.00 175.30 178.52 2jx9 h THR 100 N 3.71 1.50 -2.93 0.02 2.02 -1.85 0.86 112.91 116.24 2jx9 h THR 100 Ca -0.49 -2.41 -0.08 0.00 0.77 0.00 0.00 66.41 64.20 2jx9 h THR 100 Cb 1.16 2.30 -0.18 0.00 -1.74 0.00 0.00 68.15 69.70 2jx9 h THR 100 CO 0.48 0.69 -0.11 0.00 0.37 0.00 0.00 175.52 176.95 2jx9 s GLN 101 N -3.41 0.88 -0.17 6.66 -2.07 -1.26 0.43 119.66 120.72 2jx9 s GLN 101 Ca -0.01 -0.27 -0.19 0.00 -1.82 0.00 0.00 55.36 53.07 2jx9 s GLN 101 Cb 0.12 0.39 0.05 0.00 -1.09 0.00 0.00 33.01 32.49 2jx9 s GLN 101 CO 0.78 -0.29 0.53 0.00 -1.32 0.00 0.00 175.29 174.99 2jx9 s VAL 103 N 0.03 1.89 0.02 0.00 1.01 -1.26 -1.79 120.40 120.30 2jx9 s VAL 103 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2jx9 s VAL 103 Cb -0.04 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2jx9 s VAL 103 CO 0.02 0.52 -0.03 -0.69 0.00 0.00 0.00 175.10 174.91 2jx9 s VAL 104 N 0.62 0.20 -0.36 2.92 1.01 -0.95 -4.96 120.40 118.88 2jx9 s VAL 104 Ca -0.13 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2jx9 s VAL 104 Cb -0.17 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2jx9 s VAL 104 CO 0.03 -0.31 1.15 -0.69 0.00 0.00 0.00 175.10 175.28 2jx9 s VAL 105 N -1.00 4.34 0.00 2.92 1.01 -1.26 -0.14 120.40 126.27 2jx9 s VAL 105 Ca -0.10 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2jx9 s VAL 105 Cb -0.07 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2jx9 s VAL 105 CO -0.00 -0.62 0.94 0.00 0.00 0.00 0.00 175.10 175.42 2jx9 n ALA 106 N 7.32 2.67 -2.00 5.51 0.00 -0.89 -4.57 120.51 128.55 2jx9 n ALA 106 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jx9 n ALA 106 Cb 0.47 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.68 0.23 3.03 0.00 0.00 -1.26 -2.35 105.19 106.51 2jx9 n GLY 107 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.35 113.62 116.50 2jx9 n SER 108 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2jx9 n SER 108 Cb 0.00 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.73 0.00 0.10 -3.46 8.00 -1.26 -1.74 116.55 116.46 2jx9 n ASP 109 Ca 0.00 -0.20 0.13 0.00 0.71 0.00 0.00 54.79 55.43 2jx9 n ASP 109 Cb 0.00 -0.07 0.37 0.00 -0.02 0.00 0.00 41.12 41.40 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 -1.07 2.36 -3.72 2.24 0.00 -0.40 -4.74 120.51 115.18 2jx9 n ALA 110 Ca 0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2jx9 n ALA 110 Cb 0.05 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.11 -0.26 0.00 0.00 0.08 0.53 -4.89 117.98 110.33 2jx9 s PHE 111 Ca 0.10 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.82 2jx9 s PHE 111 Cb 0.12 -0.06 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2jx9 s PHE 111 CO 0.61 -0.23 0.00 -2.30 -0.10 0.00 0.00 175.22 173.20 2jx9 n PRO 112 N 4.55 3.09 -3.30 0.24 -0.02 -1.26 -4.60 135.00 133.69 2jx9 n PRO 112 Ca -0.20 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.08 2jx9 n PRO 112 Cb 0.52 0.00 -0.08 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 1.14 0.00 2.55 -1.08 -1.26 -4.95 116.67 110.66 2jx9 s ASP 113 Ca 0.00 -2.21 0.21 0.00 -0.52 0.00 0.00 52.55 50.03 2jx9 s ASP 113 Cb 0.00 0.27 1.06 0.00 -1.46 0.00 0.00 42.92 42.79 2jx9 s ASP 113 CO 0.00 -0.21 1.69 -0.81 0.52 0.00 0.00 175.17 176.36 2jx9 n PRO 114 N 3.54 0.27 -2.70 4.34 -0.04 -1.26 -4.27 135.00 134.88 2jx9 n PRO 114 Ca 0.19 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 2jx9 n PRO 114 Cb 0.46 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.66 0.25 -1.01 0.00 -0.02 -1.26 -2.74 135.00 131.88 2jx9 n PRO 116 Ca 0.05 0.11 -0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2jx9 n PRO 116 Cb 0.67 -1.65 -0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.91 0.39 3.27 -1.23 0.00 -1.26 -5.01 105.19 103.26 2jx9 n GLY 117 Ca 0.09 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.76 1.72 -0.47 2.61 2.01 -1.11 -4.58 115.64 114.06 2jx9 s THR 118 Ca 0.00 -1.40 -0.25 0.00 0.31 0.00 0.00 61.69 60.35 2jx9 s THR 118 Cb 0.00 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 71.01 2jx9 s THR 118 CO 0.00 0.06 0.89 -0.47 -0.69 0.00 0.00 174.62 174.41 2jx9 s TYR 119 N -1.00 2.92 0.00 4.92 5.04 0.07 -5.00 117.35 124.31 2jx9 s TYR 119 Ca 0.07 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.97 2jx9 s TYR 119 Cb -0.09 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.31 2jx9 s TYR 119 CO 0.03 -1.10 0.00 1.63 -1.34 0.00 0.00 175.55 174.77 2jx9 n LYS 120 N 7.09 1.85 -3.72 4.97 5.02 -1.26 -4.79 118.16 127.32 2jx9 n LYS 120 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 2jx9 n LYS 120 Cb 0.48 0.00 -0.00 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 0.95 -0.06 -0.07 2.13 -0.85 0.26 -2.04 117.35 117.68 2jx9 s TYR 121 Ca 0.00 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 2jx9 s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.95 2jx9 s TYR 121 CO 0.00 -0.53 -0.09 -1.17 -1.52 0.00 0.00 175.55 172.23 2jx9 s LEU 122 N -3.06 1.47 -0.09 -3.49 2.96 -0.45 -1.14 118.68 114.87 2jx9 s LEU 122 Ca 0.15 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2jx9 s LEU 122 Cb 0.02 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.99 2jx9 s LEU 122 CO -0.01 -0.02 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.13 2jx9 s GLU 123 N 0.93 2.39 -0.04 1.98 2.56 -0.69 -1.58 118.70 124.25 2jx9 s GLU 123 Ca -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 54.97 54.23 2jx9 s GLU 123 Cb -0.15 -1.91 0.02 0.00 2.00 0.00 0.00 34.13 34.09 2jx9 s GLU 123 CO 0.01 0.05 -0.03 0.08 -0.56 0.00 0.00 175.26 174.81 2jx9 s VAL 124 N 0.66 0.41 -0.15 3.70 1.01 -0.22 -1.17 120.40 124.64 2jx9 s VAL 124 Ca -0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2jx9 s VAL 124 Cb -0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2jx9 s VAL 124 CO 0.04 0.20 -0.05 -1.10 0.00 0.00 0.00 175.10 174.18 2jx9 s GLN 125 N 1.01 3.57 0.29 2.72 1.11 0.89 -1.66 119.66 127.59 2jx9 s GLN 125 Ca -0.10 -0.55 -0.12 0.00 0.01 0.00 0.00 55.36 54.60 2jx9 s GLN 125 Cb -0.14 -2.85 0.01 0.00 -1.01 0.00 0.00 33.01 29.02 2jx9 s GLN 125 CO -0.01 0.27 0.56 1.52 0.01 0.00 0.00 175.29 177.64 2jx9 s TYR 126 N 0.28 0.40 0.22 0.91 -0.85 -0.51 -1.35 117.35 116.45 2jx9 s TYR 126 Ca -0.04 -0.79 0.06 0.00 -0.52 0.00 0.00 57.07 55.77 2jx9 s TYR 126 Cb -0.14 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 2jx9 s TYR 126 CO 0.03 -1.14 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.34 2jx9 s ASP 127 N -3.06 2.27 -0.23 -0.18 1.01 -0.99 -1.15 116.67 114.35 2jx9 s ASP 127 Ca 0.22 -1.13 -0.05 0.00 0.71 0.00 0.00 52.55 52.30 2jx9 s ASP 127 Cb -0.02 -0.08 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 2jx9 s ASP 127 CO 0.11 -0.35 -0.00 0.00 0.21 0.00 0.00 175.17 175.14 2jx9 s VAL 129 N 1.48 1.58 0.40 0.00 -7.23 -0.93 -4.82 120.40 110.89 2jx9 s VAL 129 Ca 0.06 -1.63 -0.25 0.00 -1.81 0.00 0.00 61.98 58.34 2jx9 s VAL 129 Cb -0.15 -1.55 -0.11 0.00 0.56 0.00 0.00 36.38 35.14 2jx9 s VAL 129 CO -0.01 -0.21 1.13 -2.65 -0.31 0.00 0.00 175.10 173.05 2jx9 n PRO 130 N 0.81 1.62 0.00 4.82 -0.02 -1.26 0.11 135.00 141.09 2jx9 n PRO 130 Ca -0.17 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2jx9 n PRO 130 Cb 0.55 -2.18 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 -0.27 0.00 -3.44 6.00 9.36 -0.94 -4.68 117.16 123.20 2jx9 n TYR 131 Ca 0.08 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.00 2jx9 n TYR 131 Cb 0.38 -0.02 -0.04 0.00 -0.63 0.00 0.00 39.34 39.04 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 -1.75 3.66 0.03 2.98 -0.14 -1.26 -5.08 119.74 118.17 2jx9 s LYS 132 Ca 0.00 0.03 -0.14 0.00 -1.36 0.00 0.00 55.97 54.50 2jx9 s LYS 132 Cb 0.00 -2.69 -0.06 0.00 -1.68 0.00 0.00 37.83 33.40 2jx9 s LYS 132 CO 0.00 0.29 0.42 0.08 -0.76 0.00 0.00 175.35 175.39 2jx9 s VAL 133 N -1.93 5.02 0.00 3.17 1.01 -1.26 -5.17 120.40 121.23 2jx9 s VAL 133 Ca 0.44 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.20 2jx9 s VAL 133 Cb -0.11 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2jx9 s VAL 133 CO 0.27 0.50 0.00 1.21 0.00 0.00 0.00 175.10 177.08