#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 3.28 -4.76 0.99 -0.00 -1.26 -4.90 117.00 110.35 2jx9 n LEU 30 Ca 0.00 1.20 -0.41 0.00 -0.00 0.00 0.00 56.01 56.80 2jx9 n LEU 30 Cb 0.00 -1.45 -0.02 0.00 -0.00 0.00 0.00 43.42 41.95 2jx9 n LEU 30 CO 0.00 -0.65 1.06 -2.16 -0.00 0.00 0.00 177.39 175.64 2jx9 s PRO 31 N -1.84 4.28 0.13 1.47 0.04 -1.26 -4.91 135.00 132.91 2jx9 s PRO 31 Ca 0.56 2.31 0.27 0.00 0.04 0.00 0.00 61.00 64.18 2jx9 s PRO 31 Cb -0.59 -3.07 0.87 0.00 0.04 0.00 0.00 34.50 31.75 2jx9 s PRO 31 CO 0.62 -0.35 1.75 1.19 0.04 0.00 0.00 177.00 180.26 2jx9 n PHE 32 N 1.45 0.56 0.00 0.56 3.72 -1.26 -4.88 117.46 117.61 2jx9 n PHE 32 Ca 0.03 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2jx9 n PHE 32 Cb 0.41 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 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 1.38 0.42 3.63 1.37 0.00 -1.26 -4.62 105.19 106.11 2jx9 n GLY 33 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.02 0.58 0.99 1.98 -1.26 -5.13 118.68 114.82 2jx9 s LEU 34 Ca 0.00 1.46 0.00 0.00 -2.89 0.00 0.00 54.13 52.70 2jx9 s LEU 34 Cb 0.00 2.25 0.00 0.00 0.66 0.00 0.00 46.19 49.10 2jx9 s LEU 34 CO 0.00 -0.21 0.00 0.23 -1.89 0.00 0.00 176.35 174.48 2jx9 n MET 35 N 5.01 -4.18 -3.22 1.98 2.81 -1.26 -4.89 117.12 113.37 2jx9 n MET 35 Ca -0.14 3.22 -0.35 0.00 -1.81 0.00 0.00 57.70 58.62 2jx9 n MET 35 Cb 0.53 -3.96 -0.06 0.00 -0.71 0.00 0.00 33.22 29.01 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 -5.13 4.10 -0.09 0.03 0.52 0.59 -4.76 118.95 114.21 2jx9 s ARG 36 Ca 0.00 0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 55.82 2jx9 s ARG 36 Cb 0.00 -2.84 0.03 0.00 0.52 0.00 0.00 34.95 32.66 2jx9 s ARG 36 CO 0.00 0.40 0.23 0.50 0.02 0.00 0.00 175.30 176.45 2jx9 s ARG 37 N -2.11 0.23 0.03 3.54 3.52 -1.26 -1.09 118.95 121.82 2jx9 s ARG 37 Ca 0.42 0.40 0.03 0.00 -0.13 0.00 0.00 55.73 56.46 2jx9 s ARG 37 Cb -0.15 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2jx9 s ARG 37 CO 0.20 -0.09 -0.09 -1.21 -0.81 0.00 0.00 175.30 173.29 2jx9 s GLU 38 N 0.63 0.64 -0.00 5.12 0.41 -0.94 -5.00 118.70 119.56 2jx9 s GLU 38 Ca -0.04 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.87 2jx9 s GLU 38 Cb -0.06 -0.53 -0.00 0.00 -1.78 0.00 0.00 34.13 31.76 2jx9 s GLU 38 CO -0.04 0.12 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.67 2jx9 s LEU 39 N -1.16 1.97 0.01 1.80 0.20 -1.26 -1.46 118.68 118.79 2jx9 s LEU 39 Ca -0.04 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.77 2jx9 s LEU 39 Cb -0.08 -0.07 -0.01 0.00 -0.43 0.00 0.00 46.19 45.61 2jx9 s LEU 39 CO 0.01 0.01 -0.03 0.00 -0.29 0.00 0.00 176.35 176.05 2jx9 s ALA 40 N 0.00 0.21 0.31 5.97 0.00 -0.89 -4.99 121.76 122.37 2jx9 s ALA 40 Ca 0.00 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.45 2jx9 s ALA 40 Cb -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 2jx9 s ALA 40 CO -0.00 0.01 1.41 0.00 0.00 0.00 0.00 175.76 177.18 2jx9 n GLU 42 N 1.42 0.49 -0.06 0.00 2.13 -0.96 -0.29 120.64 123.37 2jx9 n GLU 42 Ca 0.03 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2jx9 n GLU 42 Cb 0.40 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 2.73 0.92 3.64 8.31 0.00 -0.82 -4.93 105.19 115.04 2jx9 n GLY 43 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 2.90 0.54 1.61 1.51 0.60 -4.79 117.35 117.33 2jx9 s TYR 44 Ca 0.00 -0.06 -0.20 0.00 -1.01 0.00 0.00 57.07 55.80 2jx9 s TYR 44 Cb 0.00 -1.53 -0.06 0.00 -0.11 0.00 0.00 41.96 40.26 2jx9 s TYR 44 CO 0.00 0.44 1.13 -1.25 -1.11 0.00 0.00 175.55 174.76 2jx9 s PRO 45 N -2.07 3.37 0.08 -1.71 0.04 -1.26 -2.37 135.00 131.06 2jx9 s PRO 45 Ca 0.23 1.61 0.09 0.00 0.04 0.00 0.00 61.00 62.97 2jx9 s PRO 45 Cb -0.11 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2jx9 s PRO 45 CO 0.15 -0.84 -0.24 -1.50 0.04 0.00 0.00 177.00 174.60 2jx9 s ILE 46 N -1.77 2.35 -0.08 0.56 2.07 0.19 -4.89 121.20 119.63 2jx9 s ILE 46 Ca 0.73 -1.47 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 2jx9 s ILE 46 Cb -0.24 -1.98 0.01 0.00 0.13 0.00 0.00 42.46 40.38 2jx9 s ILE 46 CO 0.27 0.26 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.70 2jx9 s GLU 47 N -1.59 2.11 -0.04 3.50 2.12 -1.26 -2.24 118.70 121.30 2jx9 s GLU 47 Ca 0.13 -0.55 0.05 0.00 0.36 0.00 0.00 54.97 54.96 2jx9 s GLU 47 Cb -0.10 -1.68 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 2jx9 s GLU 47 CO 0.04 0.07 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.14 2jx9 s LEU 48 N 0.58 2.52 -0.15 2.70 1.43 -0.73 -4.98 118.68 120.05 2jx9 s LEU 48 Ca -0.16 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 2jx9 s LEU 48 Cb -0.16 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.62 2jx9 s LEU 48 CO 0.05 0.33 0.37 -0.13 0.23 0.00 0.00 176.35 177.21 2jx9 s ARG 49 N -0.67 0.36 0.13 1.70 0.52 -1.26 -2.09 118.95 117.64 2jx9 s ARG 49 Ca 0.11 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 56.00 2jx9 s ARG 49 Cb -0.11 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 2jx9 s ARG 49 CO 0.00 -0.14 0.31 0.00 0.02 0.00 0.00 175.30 175.49 2jx9 s PRO 51 N -2.87 3.21 5.01 0.00 0.04 -1.26 -4.77 135.00 134.36 2jx9 s PRO 51 Ca 0.37 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.28 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 0.27 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2jx9 n GLY 52 N -2.32 2.95 0.92 0.56 0.00 -1.26 -1.95 105.19 104.09 2jx9 n GLY 52 Ca 0.07 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.43 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 7.66 1.22 -4.74 1.61 3.41 -1.26 -5.08 113.62 116.45 2jx9 n SER 53 Ca 0.00 -2.72 -0.29 0.00 -0.26 0.00 0.00 58.87 55.60 2jx9 n SER 53 Cb 0.00 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.34 3.59 0.02 4.04 1.11 -0.82 -3.96 116.67 118.31 2jx9 s ASP 54 Ca 0.30 0.88 0.07 0.00 0.18 0.00 0.00 52.55 53.98 2jx9 s ASP 54 Cb 0.31 -1.40 -0.02 0.00 1.07 0.00 0.00 42.92 42.89 2jx9 s ASP 54 CO -0.09 -2.49 -0.22 0.68 1.18 0.00 0.00 175.17 174.22 2jx9 s VAL 55 N -3.36 1.77 0.27 -1.27 -7.23 0.15 -4.41 120.40 106.33 2jx9 s VAL 55 Ca 0.64 -1.11 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 2jx9 s VAL 55 Cb -0.13 -1.51 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 2jx9 s VAL 55 CO 0.53 0.36 1.35 -0.63 -0.31 0.00 0.00 175.10 176.39 2jx9 s ILE 56 N -0.67 2.82 -0.28 -0.62 1.01 0.42 -2.16 121.20 121.73 2jx9 s ILE 56 Ca 0.09 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 61.46 2jx9 s ILE 56 Cb -0.09 -3.47 0.09 0.00 0.01 0.00 0.00 42.46 39.00 2jx9 s ILE 56 CO 0.01 0.14 0.09 0.00 0.00 0.00 0.00 174.94 175.18 2jx9 s MET 57 N -0.95 0.54 0.07 2.79 0.23 -0.08 -1.31 119.30 120.59 2jx9 s MET 57 Ca 0.54 -0.76 -0.31 0.00 -1.03 0.00 0.00 55.69 54.14 2jx9 s MET 57 Cb -0.40 -1.79 -0.08 0.00 -1.53 0.00 0.00 34.83 31.03 2jx9 s MET 57 CO 0.46 -0.91 1.69 0.08 -2.03 0.00 0.00 175.02 174.31 2jx9 s VAL 58 N 1.81 3.00 -0.25 5.16 1.01 -1.26 -2.12 120.40 127.75 2jx9 s VAL 58 Ca 0.07 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 2jx9 s VAL 58 Cb -0.17 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 2jx9 s VAL 58 CO -0.24 -0.01 -0.35 -0.62 0.00 0.00 0.00 175.10 173.88 2jx9 n GLU 59 N 5.79 0.57 -3.70 2.72 -0.58 -0.05 -4.95 120.64 120.45 2jx9 n GLU 59 Ca 0.16 0.24 -0.14 0.00 -0.42 0.00 0.00 57.16 57.01 2jx9 n GLU 59 Cb 0.40 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.74 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 -7.13 -0.30 -0.09 1.62 0.01 -0.90 -5.02 114.94 103.12 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 0.12 0.37 0.12 0.00 0.41 0.00 0.00 41.25 42.28 2jx9 s ASN 60 CO 0.47 -0.51 0.96 0.00 -1.51 0.00 0.00 177.10 176.51 2jx9 s ALA 61 N -1.46 -1.89 -0.02 0.60 0.00 -1.26 0.70 121.76 118.43 2jx9 s ALA 61 Ca -0.12 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 2jx9 s ALA 61 Cb -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2jx9 s ALA 61 CO 0.05 -0.50 0.18 1.21 0.00 0.00 0.00 175.76 176.69 2jx9 s ASN 62 N -1.81 -0.06 -0.20 0.00 2.47 -0.47 -3.61 114.94 111.26 2jx9 s ASN 62 Ca 0.02 -0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.28 2jx9 s ASN 62 Cb -0.01 0.26 0.03 0.00 -1.45 0.00 0.00 41.25 40.08 2jx9 s ASN 62 CO -0.04 -0.32 -0.17 -0.47 -3.72 0.00 0.00 177.10 172.39 2jx9 s TYR 63 N -1.05 2.89 0.00 0.43 5.04 -1.26 -1.67 117.35 121.73 2jx9 s TYR 63 Ca -0.11 -1.75 0.00 0.00 -2.44 0.00 0.00 57.07 52.76 2jx9 s TYR 63 Cb -0.06 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.32 2jx9 s TYR 63 CO 0.02 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.82 2jx9 n GLY 64 N 4.59 -0.51 3.52 8.97 0.00 0.48 -3.32 105.19 118.92 2jx9 n GLY 64 Ca -0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.63 0.50 0.00 1.61 3.52 -0.91 0.21 118.95 123.25 2jx9 s ARG 65 Ca 0.00 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 2jx9 s ARG 65 Cb 0.00 0.67 0.00 0.00 -1.56 0.00 0.00 34.95 34.06 2jx9 s ARG 65 CO 0.00 -0.21 0.93 0.25 -0.81 0.00 0.00 175.30 175.45 2jx9 n THR 66 N 5.38 0.85 -3.35 4.11 -2.24 -1.26 -0.24 114.28 117.53 2jx9 n THR 66 Ca -0.11 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2jx9 n THR 66 Cb 0.50 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.43 0.00 0.00 3.42 -0.08 -1.26 -4.75 116.55 113.45 2jx9 n ASP 67 Ca 0.00 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.67 2jx9 n ASP 67 Cb 0.22 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2jx9 n ASP 67 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2jx9 n ASP 68 N -1.52 0.00 -0.93 1.67 5.75 -1.26 -4.41 116.55 115.85 2jx9 n ASP 68 Ca 0.00 -1.00 0.10 0.00 -0.01 0.00 0.00 54.79 53.88 2jx9 n ASP 68 Cb 0.00 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.23 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 2.13 -4.10 0.11 5.02 -1.26 -4.86 118.16 115.20 2jx9 n LYS 69 Ca 0.00 -1.96 -0.35 0.00 -2.02 0.00 0.00 58.31 53.98 2jx9 n LYS 69 Cb 0.26 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.51 4.80 -0.62 -0.18 -1.09 -1.26 -4.61 121.20 116.73 2jx9 s ILE 70 Ca 0.30 -0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.56 2jx9 s ILE 70 Cb 0.19 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.98 2jx9 s ILE 70 CO 0.27 0.55 0.65 0.00 -1.23 0.00 0.00 174.94 175.17 2jx9 n ASP 72 N -1.27 1.77 -2.06 0.00 5.68 -1.26 -4.90 116.55 114.51 2jx9 n ASP 72 Ca -0.05 -0.07 -0.01 0.00 -0.50 0.00 0.00 54.79 54.17 2jx9 n ASP 72 Cb 0.56 -1.33 -0.00 0.00 -1.14 0.00 0.00 41.12 39.21 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 12.80 0.01 -1.76 2.12 0.00 -1.26 -5.08 120.51 127.34 2jx9 n ALA 73 Ca 0.46 -0.05 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 2jx9 n ALA 73 Cb 0.33 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.54 3.40 -0.36 0.00 5.75 -1.26 -4.79 116.55 117.74 2jx9 n ASP 74 Ca -0.00 1.15 0.09 0.00 -0.01 0.00 0.00 54.79 56.01 2jx9 n ASP 74 Cb 0.01 -1.60 0.26 0.00 -1.03 0.00 0.00 41.12 38.76 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 2.45 0.90 -0.24 0.11 0.13 -1.98 -0.73 132.00 132.64 2jx9 h PRO 75 Ca -0.51 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.50 2jx9 h PRO 75 Cb 1.26 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2jx9 h PRO 75 CO 0.62 0.60 -0.15 0.74 -0.23 0.00 0.00 178.00 179.57 2jx9 h PHE 76 N 0.93 0.43 -0.00 1.56 0.04 -1.97 0.11 116.94 118.04 2jx9 h PHE 76 Ca 0.52 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2jx9 h PHE 76 Cb 0.60 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2jx9 h PHE 76 CO -0.01 0.54 -0.42 1.04 -0.60 0.00 0.00 178.31 178.87 2jx9 n GLN 77 N -4.21 0.29 0.00 1.51 6.02 -0.60 -3.75 117.38 116.65 2jx9 n GLN 77 Ca 0.00 -0.17 0.07 0.00 -0.01 0.00 0.00 57.00 56.89 2jx9 n GLN 77 Cb 0.32 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.20 1.81 -0.15 -1.09 2.81 -0.38 0.13 117.12 119.04 2jx9 n MET 78 Ca 0.08 -0.73 -0.11 0.00 -1.81 0.00 0.00 57.70 55.13 2jx9 n MET 78 Cb 0.34 -1.21 -0.01 0.00 -0.71 0.00 0.00 33.22 31.62 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 1.55 0.81 -6.15 0.03 5.08 -0.89 -3.39 114.58 111.62 2jx9 h GLU 79 Ca 0.00 -0.29 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 2jx9 h GLU 79 Cb 0.48 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2jx9 h GLU 79 CO 0.00 0.91 0.79 1.21 -1.00 0.00 0.00 179.01 180.93 2jx9 s ASN 80 N -6.39 7.06 -0.34 1.42 2.47 -1.26 -4.91 114.94 112.99 2jx9 s ASN 80 Ca -0.12 1.55 0.07 0.00 0.42 0.00 0.00 52.86 54.77 2jx9 s ASN 80 Cb 0.11 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.88 2jx9 s ASN 80 CO 0.82 -0.66 1.53 1.33 -3.72 0.00 0.00 177.10 176.40 2jx9 n VAL 81 N 5.17 2.71 -3.47 -5.21 0.24 -1.26 -4.65 118.33 111.85 2jx9 n VAL 81 Ca 0.12 -2.83 -0.28 0.00 -2.04 0.00 0.00 64.34 59.31 2jx9 n VAL 81 Cb 0.46 -0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 32.24 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 -3.34 0.75 -0.14 7.34 -1.52 -1.05 -4.24 119.66 117.47 2jx9 s GLN 82 Ca 0.48 -1.66 -0.05 0.00 -1.95 0.00 0.00 55.36 52.18 2jx9 s GLN 82 Cb 0.42 -1.46 0.07 0.00 -0.22 0.00 0.00 33.01 31.82 2jx9 s GLN 82 CO 0.01 -1.26 0.28 0.00 -0.25 0.00 0.00 175.29 174.07 2jx9 s TYR 84 N 2.34 0.84 -0.38 0.00 1.51 -1.26 -2.15 117.35 118.25 2jx9 s TYR 84 Ca -0.00 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.30 2jx9 s TYR 84 Cb -0.12 -0.49 0.16 0.00 -0.11 0.00 0.00 41.96 41.40 2jx9 s TYR 84 CO -0.09 -0.13 0.37 -1.17 -1.11 0.00 0.00 175.55 173.43 2jx9 s LEU 85 N -2.63 0.04 0.19 -1.29 2.96 -1.21 -4.81 118.68 111.93 2jx9 s LEU 85 Ca 0.06 -1.70 -0.17 0.00 -0.22 0.00 0.00 54.13 52.09 2jx9 s LEU 85 Cb 0.01 0.50 0.17 0.00 0.50 0.00 0.00 46.19 47.36 2jx9 s LEU 85 CO -0.03 -0.25 1.62 -0.65 -1.32 0.00 0.00 176.35 175.72 2jx9 h PRO 86 N 6.92 -0.07 -0.14 0.98 0.11 -1.91 -0.68 132.00 137.20 2jx9 h PRO 86 Ca 0.06 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.22 2jx9 h PRO 86 Cb 1.05 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2jx9 h PRO 86 CO 0.20 -0.05 0.28 -0.44 -0.21 0.00 0.00 178.00 177.79 2jx9 h ASP 87 N -0.07 0.00 -0.71 -2.05 3.32 -1.96 -1.81 116.42 113.13 2jx9 h ASP 87 Ca 0.25 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.39 2jx9 h ASP 87 Cb 0.46 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 2jx9 h ASP 87 CO -0.59 0.00 0.47 0.00 -1.72 0.00 0.00 179.24 177.40 2jx9 h ALA 88 N 1.56 1.81 -0.44 3.45 0.00 -1.43 -1.80 119.26 122.42 2jx9 h ALA 88 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jx9 h ALA 88 Cb 0.64 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jx9 h ALA 88 CO -0.00 0.06 0.13 0.35 0.00 0.00 0.00 179.25 179.79 2jx9 h PHE 89 N 0.65 0.71 -0.57 0.00 3.57 -1.38 -2.17 116.94 117.75 2jx9 h PHE 89 Ca 0.32 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 2jx9 h PHE 89 Cb 0.40 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2jx9 h PHE 89 CO -0.00 0.65 0.06 1.57 -2.23 0.00 0.00 178.31 178.36 2jx9 h LYS 90 N 0.57 0.94 -0.21 1.11 5.09 -1.51 -0.18 116.57 122.38 2jx9 h LYS 90 Ca 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 60.65 60.63 2jx9 h LYS 90 Cb 0.28 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.48 2jx9 h LYS 90 CO -0.00 0.89 0.12 0.82 -2.09 0.00 0.00 179.45 179.19 2jx9 h ILE 91 N 0.88 1.09 -0.34 0.07 2.04 -1.15 -1.71 117.51 118.40 2jx9 h ILE 91 Ca 0.17 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 2jx9 h ILE 91 Cb 0.43 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2jx9 h ILE 91 CO 0.01 0.09 -0.24 0.24 0.00 0.00 0.00 178.15 178.25 2jx9 h MET 92 N 0.25 0.66 -0.37 2.37 2.86 -1.20 -2.53 114.93 116.98 2jx9 h MET 92 Ca 0.07 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2jx9 h MET 92 Cb 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2jx9 h MET 92 CO -0.01 0.85 0.22 0.77 1.06 0.00 0.00 176.91 179.80 2jx9 h SER 93 N 0.58 0.37 -0.23 1.22 0.02 -0.73 0.15 113.55 114.94 2jx9 h SER 93 Ca 0.08 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2jx9 h SER 93 Cb 0.72 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 2jx9 h SER 93 CO 0.06 0.27 -0.15 1.56 -1.14 0.00 0.00 176.83 177.43 2jx9 h GLN 94 N 0.46 0.64 -0.02 3.45 4.20 -1.23 0.61 115.11 123.22 2jx9 h GLN 94 Ca 0.14 -0.21 -0.21 0.00 0.06 0.00 0.00 58.65 58.43 2jx9 h GLN 94 Cb -0.02 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2jx9 h GLN 94 CO -0.06 0.77 -0.88 0.00 -0.67 0.00 0.00 178.83 177.99 2jx9 h ARG 95 N 0.58 0.38 0.00 1.46 3.08 -1.00 -3.38 114.38 115.50 2jx9 h ARG 95 Ca 0.10 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2jx9 h ARG 95 Cb 0.59 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2jx9 h ARG 95 CO 0.04 1.05 -1.16 0.00 -1.07 0.00 0.00 179.97 178.83 2jx9 n ASN 97 N -1.66 2.23 -0.35 0.00 4.13 0.20 -1.03 115.26 118.78 2jx9 n ASN 97 Ca -0.01 1.16 -0.05 0.00 1.68 0.00 0.00 54.58 57.36 2jx9 n ASN 97 Cb 0.19 -1.37 -0.02 0.00 -1.54 0.00 0.00 39.78 37.04 2jx9 n ASN 97 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2jx9 n ASN 98 N 1.75 -4.95 -4.55 6.41 4.13 -0.43 -4.97 115.26 112.66 2jx9 n ASN 98 Ca 0.11 0.11 -0.31 0.00 1.68 0.00 0.00 54.58 56.17 2jx9 n ASN 98 Cb 0.31 -2.85 -0.11 0.00 -1.54 0.00 0.00 39.78 35.59 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 -1.96 2.34 0.20 3.52 0.52 -0.20 -4.79 118.95 118.57 2jx9 s ARG 99 Ca 0.00 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2jx9 s ARG 99 Cb 0.00 -2.37 0.10 0.00 0.52 0.00 0.00 34.95 33.20 2jx9 s ARG 99 CO 0.00 0.57 1.45 1.15 0.02 0.00 0.00 175.30 178.49 2jx9 h THR 100 N 3.73 1.47 -3.08 0.02 2.02 -1.84 1.23 112.91 116.46 2jx9 h THR 100 Ca -0.48 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.17 2jx9 h THR 100 Cb 1.16 2.31 -0.20 0.00 -1.74 0.00 0.00 68.15 69.68 2jx9 h THR 100 CO 0.52 0.70 -0.29 0.00 0.37 0.00 0.00 175.52 176.82 2jx9 s GLN 101 N -3.39 0.66 -0.13 6.66 1.03 -1.26 -0.72 119.66 122.52 2jx9 s GLN 101 Ca -0.03 -0.23 -0.18 0.00 0.04 0.00 0.00 55.36 54.96 2jx9 s GLN 101 Cb 0.11 0.29 0.04 0.00 0.03 0.00 0.00 33.01 33.49 2jx9 s GLN 101 CO 0.81 -0.18 0.47 0.00 -2.54 0.00 0.00 175.29 173.85 2jx9 s VAL 103 N -0.30 1.94 0.01 0.00 1.01 -1.26 -1.77 120.40 120.04 2jx9 s VAL 103 Ca -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2jx9 s VAL 103 Cb -0.03 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2jx9 s VAL 103 CO 0.03 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 2jx9 s VAL 104 N 1.00 0.51 -0.25 2.92 1.01 -0.95 -4.95 120.40 119.68 2jx9 s VAL 104 Ca -0.03 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2jx9 s VAL 104 Cb -0.15 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2jx9 s VAL 104 CO -0.05 -0.06 0.92 -0.69 0.00 0.00 0.00 175.10 175.22 2jx9 s VAL 105 N -0.61 4.75 0.00 2.92 1.01 -1.26 -0.64 120.40 126.56 2jx9 s VAL 105 Ca -0.02 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 2jx9 s VAL 105 Cb -0.05 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2jx9 s VAL 105 CO 0.00 -0.16 1.96 0.00 0.00 0.00 0.00 175.10 176.90 2jx9 n ALA 106 N 6.21 3.97 0.00 5.51 0.00 -1.00 -4.56 120.51 130.64 2jx9 n ALA 106 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2jx9 n ALA 106 Cb 0.47 -1.46 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 1.84 -0.31 3.34 0.00 0.00 -1.26 -1.95 105.19 106.85 2jx9 n GLY 107 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.80 113.62 116.04 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 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.91 0.00 0.04 -3.46 8.00 -1.26 -2.42 116.55 115.54 2jx9 n ASP 109 Ca 0.00 -0.68 0.12 0.00 0.71 0.00 0.00 54.79 54.95 2jx9 n ASP 109 Cb 0.00 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.86 2.99 -3.72 2.24 0.00 -0.49 -4.80 120.51 115.87 2jx9 n ALA 110 Ca 0.09 -0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2jx9 n ALA 110 Cb 0.04 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.09 -0.17 0.00 0.00 0.40 0.02 -4.88 117.98 110.25 2jx9 s PHE 111 Ca 0.09 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 2jx9 s PHE 111 Cb 0.15 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.53 2jx9 s PHE 111 CO 0.68 -0.21 0.00 -2.30 0.70 0.00 0.00 175.22 174.09 2jx9 n PRO 112 N 4.64 3.11 -3.41 0.24 -0.02 -1.26 -4.61 135.00 133.70 2jx9 n PRO 112 Ca -0.18 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.11 2jx9 n PRO 112 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.89 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 1.84 0.00 2.55 -1.08 -1.26 -4.95 116.67 111.36 2jx9 s ASP 113 Ca 0.00 -1.18 0.27 0.00 -0.52 0.00 0.00 52.55 51.12 2jx9 s ASP 113 Cb 0.00 0.35 0.95 0.00 -1.46 0.00 0.00 42.92 42.76 2jx9 s ASP 113 CO 0.00 -0.35 1.71 -0.81 0.52 0.00 0.00 175.17 176.24 2jx9 n PRO 114 N 4.88 0.14 -2.73 4.34 -0.04 -1.26 -4.48 135.00 135.85 2jx9 n PRO 114 Ca 0.03 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2jx9 n PRO 114 Cb 0.45 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.93 1.30 0.00 0.00 -0.02 -1.26 -2.32 135.00 133.64 2jx9 n PRO 116 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2jx9 n PRO 116 Cb 0.68 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.17 1.45 3.45 -1.23 0.00 -1.26 -5.04 105.19 103.73 2jx9 n GLY 117 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.35 2.59 -0.32 2.61 2.01 -0.98 -4.48 115.64 114.73 2jx9 s THR 118 Ca 0.00 -1.64 -0.28 0.00 0.31 0.00 0.00 61.69 60.08 2jx9 s THR 118 Cb 0.00 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.34 2jx9 s THR 118 CO 0.00 0.08 1.02 -0.47 -0.69 0.00 0.00 174.62 174.56 2jx9 s TYR 119 N -1.16 3.15 0.00 4.92 5.04 0.34 -4.99 117.35 124.65 2jx9 s TYR 119 Ca 0.17 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 2jx9 s TYR 119 Cb -0.10 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2jx9 s TYR 119 CO 0.09 -0.74 0.00 1.63 -1.34 0.00 0.00 175.55 175.18 2jx9 n LYS 120 N 6.77 1.90 -3.78 4.97 5.02 -1.26 -4.72 118.16 127.05 2jx9 n LYS 120 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2jx9 n LYS 120 Cb 0.47 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 1.07 -0.02 -0.08 2.13 -0.85 0.57 -2.26 117.35 117.91 2jx9 s TYR 121 Ca 0.00 -0.18 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2jx9 s TYR 121 Cb 0.00 0.59 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jx9 s TYR 121 CO 0.00 -0.47 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.33 2jx9 s LEU 122 N -3.27 1.15 -0.13 -3.49 2.96 -0.89 -0.39 118.68 114.62 2jx9 s LEU 122 Ca 0.19 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 2jx9 s LEU 122 Cb 0.01 -0.66 0.00 0.00 0.50 0.00 0.00 46.19 46.05 2jx9 s LEU 122 CO -0.00 -0.10 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.02 2jx9 s GLU 123 N 1.43 3.10 -0.08 1.98 2.12 -0.67 -2.10 118.70 124.48 2jx9 s GLU 123 Ca -0.02 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.50 2jx9 s GLU 123 Cb -0.13 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.82 2jx9 s GLU 123 CO -0.04 0.06 -0.08 0.08 -0.54 0.00 0.00 175.26 174.74 2jx9 s VAL 124 N 0.67 0.94 -0.18 3.70 1.01 -0.53 -1.37 120.40 124.62 2jx9 s VAL 124 Ca -0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 2jx9 s VAL 124 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2jx9 s VAL 124 CO 0.02 0.33 0.02 -1.10 0.00 0.00 0.00 175.10 174.37 2jx9 s GLN 125 N 1.22 3.79 0.24 2.72 1.11 0.22 -2.21 119.66 126.75 2jx9 s GLN 125 Ca -0.05 -0.44 -0.15 0.00 0.01 0.00 0.00 55.36 54.73 2jx9 s GLN 125 Cb -0.14 -3.10 0.01 0.00 -1.01 0.00 0.00 33.01 28.76 2jx9 s GLN 125 CO -0.02 0.18 0.52 1.52 0.01 0.00 0.00 175.29 177.50 2jx9 s TYR 126 N 0.58 0.18 0.24 0.91 1.13 -0.25 -0.87 117.35 119.27 2jx9 s TYR 126 Ca 0.01 -0.56 0.06 0.00 -1.41 0.00 0.00 57.07 55.17 2jx9 s TYR 126 Cb -0.14 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.98 2jx9 s TYR 126 CO 0.02 -1.01 -0.08 -0.51 -2.51 0.00 0.00 175.55 171.46 2jx9 s ASP 127 N -2.97 2.43 -0.27 -0.18 1.11 -0.90 -0.30 116.67 115.59 2jx9 s ASP 127 Ca 0.18 -1.13 -0.03 0.00 0.18 0.00 0.00 52.55 51.75 2jx9 s ASP 127 Cb -0.01 -0.11 0.02 0.00 1.07 0.00 0.00 42.92 43.89 2jx9 s ASP 127 CO 0.06 -0.33 -0.01 0.00 1.18 0.00 0.00 175.17 176.07 2jx9 s VAL 129 N 1.37 2.81 0.62 0.00 -7.23 -0.92 -4.78 120.40 112.26 2jx9 s VAL 129 Ca 0.00 -1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 58.35 2jx9 s VAL 129 Cb -0.17 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 2jx9 s VAL 129 CO -0.02 0.02 0.91 -2.65 -0.31 0.00 0.00 175.10 173.04 2jx9 n PRO 130 N 0.54 0.79 0.00 4.82 -0.02 -1.26 0.35 135.00 140.22 2jx9 n PRO 130 Ca -0.14 0.31 0.14 0.00 -2.02 0.00 0.00 63.50 61.79 2jx9 n PRO 130 Cb 0.54 -2.12 0.62 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.85 0.00 -2.78 6.00 9.36 -1.25 -4.69 117.16 121.95 2jx9 n TYR 131 Ca 0.14 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.12 2jx9 n TYR 131 Cb 0.48 -0.19 0.02 0.00 -0.63 0.00 0.00 39.34 39.02 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 -2.49 2.91 -0.01 2.98 1.02 -1.26 -5.07 119.74 117.82 2jx9 s LYS 132 Ca 0.29 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.64 2jx9 s LYS 132 Cb 0.20 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 2jx9 s LYS 132 CO 0.48 -0.47 0.57 0.08 -0.92 0.00 0.00 175.35 175.08 2jx9 s VAL 133 N -2.70 4.93 0.00 3.17 1.01 -1.26 -5.19 120.40 120.37 2jx9 s VAL 133 Ca 0.51 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2jx9 s VAL 133 Cb -0.10 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2jx9 s VAL 133 CO 0.40 0.43 0.00 1.21 0.00 0.00 0.00 175.10 177.13