#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 2.46 -4.64 0.99 4.77 -1.26 -5.11 117.00 114.21 2jx9 n LEU 30 Ca 0.00 -5.24 -0.37 0.00 -0.03 0.00 0.00 56.01 50.37 2jx9 n LEU 30 Cb 0.00 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2jx9 n LEU 30 CO 0.00 2.20 0.61 -0.81 -1.33 0.00 0.00 177.39 178.07 2jx9 n PRO 31 N 0.52 0.86 0.05 3.23 -0.04 -1.26 -4.90 135.00 133.46 2jx9 n PRO 31 Ca 0.27 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 2jx9 n PRO 31 Cb 0.49 -2.25 0.52 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.93 0.41 -1.54 0.54 3.72 -1.26 -4.90 117.46 112.50 2jx9 n PHE 32 Ca 0.14 0.12 -0.06 0.00 -0.05 0.00 0.00 57.45 57.60 2jx9 n PHE 32 Cb 0.48 -0.70 -0.02 0.00 -0.94 0.00 0.00 39.48 38.30 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 1.33 0.58 3.63 1.37 0.00 -1.26 -5.00 105.19 105.83 2jx9 n GLY 33 Ca 0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.57 -1.06 0.38 0.99 0.20 -1.26 -5.11 118.68 111.25 2jx9 s LEU 34 Ca 0.00 1.49 0.00 0.00 0.69 0.00 0.00 54.13 56.31 2jx9 s LEU 34 Cb 0.00 2.25 0.00 0.00 -0.43 0.00 0.00 46.19 48.01 2jx9 s LEU 34 CO 0.00 -0.21 0.00 0.23 -0.29 0.00 0.00 176.35 176.08 2jx9 n MET 35 N 5.22 -5.42 -3.39 1.98 2.81 -1.26 -4.95 117.12 112.11 2jx9 n MET 35 Ca -0.13 3.91 -0.33 0.00 -1.81 0.00 0.00 57.70 59.33 2jx9 n MET 35 Cb 0.51 -4.30 -0.06 0.00 -0.71 0.00 0.00 33.22 28.66 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 -1.92 3.87 -0.09 0.03 0.52 0.23 -4.89 118.95 116.70 2jx9 s ARG 36 Ca 0.00 0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 55.52 2jx9 s ARG 36 Cb 0.00 -2.76 0.04 0.00 0.52 0.00 0.00 34.95 32.76 2jx9 s ARG 36 CO 0.00 0.38 0.21 0.50 0.02 0.00 0.00 175.30 176.41 2jx9 s ARG 37 N -2.48 0.17 0.02 3.54 3.52 -1.26 -1.28 118.95 121.18 2jx9 s ARG 37 Ca 0.44 0.47 0.05 0.00 -0.13 0.00 0.00 55.73 56.56 2jx9 s ARG 37 Cb -0.13 -0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.10 2jx9 s ARG 37 CO 0.20 -0.16 -0.16 -1.21 -0.81 0.00 0.00 175.30 173.15 2jx9 s GLU 38 N 1.23 1.19 -0.01 5.12 0.41 -0.92 -5.00 118.70 120.71 2jx9 s GLU 38 Ca -0.09 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.75 2jx9 s GLU 38 Cb -0.11 -1.21 0.01 0.00 -1.78 0.00 0.00 34.13 31.05 2jx9 s GLU 38 CO -0.08 0.31 -0.01 -1.17 -0.49 0.00 0.00 175.26 173.83 2jx9 s LEU 39 N -0.82 1.60 -0.02 1.80 0.20 -1.26 -1.64 118.68 118.55 2jx9 s LEU 39 Ca 0.05 -0.03 0.03 0.00 0.69 0.00 0.00 54.13 54.87 2jx9 s LEU 39 Cb -0.07 -0.15 -0.00 0.00 -0.43 0.00 0.00 46.19 45.53 2jx9 s LEU 39 CO 0.01 -0.03 -0.09 0.00 -0.29 0.00 0.00 176.35 175.94 2jx9 s ALA 40 N 0.45 0.82 0.28 5.97 0.00 -0.81 -4.99 121.76 123.49 2jx9 s ALA 40 Ca -0.04 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 2jx9 s ALA 40 Cb -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 23.12 22.70 2jx9 s ALA 40 CO -0.01 0.17 1.41 0.00 0.00 0.00 0.00 175.76 177.33 2jx9 n GLU 42 N 1.74 0.80 0.00 0.00 2.13 -0.97 -1.43 120.64 122.92 2jx9 n GLU 42 Ca 0.04 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2jx9 n GLU 42 Cb 0.41 -1.79 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 2.04 1.27 3.62 8.31 0.00 -1.02 -4.93 105.19 114.47 2jx9 n GLY 43 Ca 0.17 0.00 -0.30 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 -2.30 2.84 0.64 1.61 2.02 -0.51 -4.81 117.35 116.84 2jx9 s TYR 44 Ca 0.00 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.43 2jx9 s TYR 44 Cb 0.00 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.06 2jx9 s TYR 44 CO 0.00 0.44 1.21 -1.25 -1.57 0.00 0.00 175.55 174.38 2jx9 s PRO 45 N -2.14 2.70 0.04 -1.71 0.04 -1.26 -2.13 135.00 130.54 2jx9 s PRO 45 Ca 0.22 1.80 0.09 0.00 0.04 0.00 0.00 61.00 63.15 2jx9 s PRO 45 Cb -0.11 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2jx9 s PRO 45 CO 0.14 -1.41 -0.25 -1.50 0.04 0.00 0.00 177.00 174.03 2jx9 s ILE 46 N -1.73 2.29 -0.07 0.56 2.07 0.12 -4.82 121.20 119.62 2jx9 s ILE 46 Ca 0.76 -1.34 0.02 0.00 -1.41 0.00 0.00 60.65 58.68 2jx9 s ILE 46 Cb -0.30 -1.91 0.01 0.00 0.13 0.00 0.00 42.46 40.40 2jx9 s ILE 46 CO 0.37 0.36 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.95 2jx9 s GLU 47 N -1.28 1.70 -0.02 3.50 2.12 -1.26 -1.64 118.70 121.82 2jx9 s GLU 47 Ca 0.12 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.11 2jx9 s GLU 47 Cb -0.10 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.81 2jx9 s GLU 47 CO 0.03 -0.02 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.03 2jx9 s LEU 48 N 0.82 2.50 -0.12 2.70 1.43 -0.52 -4.96 118.68 120.52 2jx9 s LEU 48 Ca -0.12 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 2jx9 s LEU 48 Cb -0.15 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.63 2jx9 s LEU 48 CO 0.02 0.32 0.30 -0.13 0.23 0.00 0.00 176.35 177.08 2jx9 s ARG 49 N -0.86 0.30 -0.09 1.70 0.52 -1.26 -1.54 118.95 117.73 2jx9 s ARG 49 Ca 0.12 0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 55.79 2jx9 s ARG 49 Cb -0.10 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 2jx9 s ARG 49 CO 0.01 -0.10 0.10 0.00 0.02 0.00 0.00 175.30 175.33 2jx9 s PRO 51 N -1.13 2.18 2.40 0.00 0.04 -1.26 -4.69 135.00 132.54 2jx9 s PRO 51 Ca 0.16 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2jx9 s PRO 51 Cb -0.12 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2jx9 s PRO 51 CO 0.06 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.78 2jx9 n GLY 52 N -0.55 2.43 1.97 0.56 0.00 -1.26 -1.44 105.19 106.89 2jx9 n GLY 52 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jx9 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jx9 n SER 53 N 0.85 5.32 -4.88 1.61 3.41 -1.26 -4.97 113.62 113.71 2jx9 n SER 53 Ca 0.00 -3.07 -0.30 0.00 -0.26 0.00 0.00 58.87 55.24 2jx9 n SER 53 Cb 0.00 -0.72 0.07 0.00 -0.26 0.00 0.00 64.21 63.30 2jx9 n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jx9 s ASP 54 N -0.88 4.84 0.07 4.04 1.01 -0.52 -4.05 116.67 121.17 2jx9 s ASP 54 Ca 0.55 0.98 0.06 0.00 0.71 0.00 0.00 52.55 54.85 2jx9 s ASP 54 Cb 0.43 -1.62 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 2jx9 s ASP 54 CO 0.15 -1.71 -0.16 0.68 0.21 0.00 0.00 175.17 174.34 2jx9 s VAL 55 N -3.44 1.27 0.26 -1.27 -7.23 -0.35 -4.37 120.40 105.27 2jx9 s VAL 55 Ca 0.60 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 2jx9 s VAL 55 Cb -0.11 -1.18 -0.09 0.00 0.56 0.00 0.00 36.38 35.55 2jx9 s VAL 55 CO 0.51 -0.12 1.17 -0.63 -0.31 0.00 0.00 175.10 175.72 2jx9 s ILE 56 N -1.13 3.36 -0.27 -0.62 1.01 0.32 -2.08 121.20 121.79 2jx9 s ILE 56 Ca 0.01 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.94 2jx9 s ILE 56 Cb -0.09 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.64 2jx9 s ILE 56 CO 0.02 0.28 0.07 0.00 0.00 0.00 0.00 174.94 175.31 2jx9 s MET 57 N -1.13 0.69 0.04 2.79 0.23 -0.25 -0.78 119.30 120.89 2jx9 s MET 57 Ca 0.48 -0.81 -0.30 0.00 -1.03 0.00 0.00 55.69 54.03 2jx9 s MET 57 Cb -0.34 -1.98 -0.07 0.00 -1.53 0.00 0.00 34.83 30.92 2jx9 s MET 57 CO 0.42 -0.86 1.57 0.08 -2.03 0.00 0.00 175.02 174.20 2jx9 s VAL 58 N 1.73 3.27 -0.19 5.16 1.01 -1.26 -2.34 120.40 127.78 2jx9 s VAL 58 Ca 0.05 0.69 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2jx9 s VAL 58 Cb -0.17 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2jx9 s VAL 58 CO -0.20 -0.00 -0.26 -0.62 0.00 0.00 0.00 175.10 174.02 2jx9 n GLU 59 N 5.56 0.42 -3.81 2.72 1.02 -0.75 -4.96 120.64 120.83 2jx9 n GLU 59 Ca 0.15 0.18 -0.12 0.00 -0.02 0.00 0.00 57.16 57.35 2jx9 n GLU 59 Cb 0.42 -1.21 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 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 -6.71 -0.11 -0.05 1.62 0.01 -1.04 -5.03 114.94 103.62 2jx9 s ASN 60 Ca -0.27 0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 51.64 2jx9 s ASN 60 Cb 0.10 0.31 0.11 0.00 0.41 0.00 0.00 41.25 42.18 2jx9 s ASN 60 CO 0.35 -0.33 0.92 0.00 -1.51 0.00 0.00 177.10 176.53 2jx9 s ALA 61 N -1.00 -1.86 -0.03 0.60 0.00 -1.26 0.23 121.76 118.45 2jx9 s ALA 61 Ca -0.11 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2jx9 s ALA 61 Cb -0.05 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2jx9 s ALA 61 CO 0.02 -0.59 0.37 1.21 0.00 0.00 0.00 175.76 176.77 2jx9 s ASN 62 N -2.13 -0.28 -0.23 0.00 2.47 -0.36 -3.91 114.94 110.51 2jx9 s ASN 62 Ca 0.03 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.56 2jx9 s ASN 62 Cb -0.01 0.39 0.04 0.00 -1.45 0.00 0.00 41.25 40.22 2jx9 s ASN 62 CO -0.06 -0.44 -0.13 -0.47 -3.72 0.00 0.00 177.10 172.29 2jx9 s TYR 63 N -1.15 3.03 0.00 0.43 5.04 -1.25 -1.97 117.35 121.47 2jx9 s TYR 63 Ca -0.12 -1.85 0.00 0.00 -2.44 0.00 0.00 57.07 52.66 2jx9 s TYR 63 Cb -0.04 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.30 2jx9 s TYR 63 CO 0.05 -0.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.86 2jx9 n GLY 64 N 4.57 -0.56 3.36 8.97 0.00 -0.22 -3.12 105.19 118.19 2jx9 n GLY 64 Ca -0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.08 0.47 0.00 1.61 3.52 -0.93 0.72 118.95 123.27 2jx9 s ARG 65 Ca 0.00 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 2jx9 s ARG 65 Cb 0.00 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 2jx9 s ARG 65 CO 0.00 -0.34 0.94 0.25 -0.81 0.00 0.00 175.30 175.34 2jx9 n THR 66 N 5.42 0.88 -3.93 4.11 -2.24 -1.26 -0.16 114.28 117.10 2jx9 n THR 66 Ca -0.08 -0.90 -0.08 0.00 -2.27 0.00 0.00 64.05 60.72 2jx9 n THR 66 Cb 0.50 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.44 -0.57 0.00 3.42 2.03 -1.26 -4.77 116.55 114.97 2jx9 n ASP 67 Ca 0.00 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.31 2jx9 n ASP 67 Cb 0.26 1.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.78 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 -2.05 0.00 -1.09 1.67 5.68 -1.26 -4.42 116.55 115.08 2jx9 n ASP 68 Ca 0.02 -1.00 0.11 0.00 -0.50 0.00 0.00 54.79 53.42 2jx9 n ASP 68 Cb 0.30 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.48 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 -4.34 0.11 5.02 -1.26 -4.88 118.16 115.24 2jx9 n LYS 69 Ca 0.00 -2.23 -0.34 0.00 -2.02 0.00 0.00 58.31 53.71 2jx9 n LYS 69 Cb 0.25 -1.48 -0.11 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 -1.40 4.16 -0.58 -0.18 -1.09 -1.26 -4.68 121.20 116.17 2jx9 s ILE 70 Ca 0.37 -0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 58.37 2jx9 s ILE 70 Cb 0.21 -2.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.31 2jx9 s ILE 70 CO 0.30 0.53 0.64 0.00 -1.23 0.00 0.00 174.94 175.18 2jx9 n ASP 72 N -1.03 2.38 -0.92 0.00 -0.08 -1.26 -4.91 116.55 110.73 2jx9 n ASP 72 Ca -0.03 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2jx9 n ASP 72 Cb 0.56 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.61 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 12.00 0.00 -1.77 -1.67 0.00 -1.26 -5.09 120.51 122.72 2jx9 n ALA 73 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 2jx9 n ALA 73 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.82 2jx9 n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jx9 s ASP 74 N 0.01 6.00 0.30 0.00 -4.77 -1.26 -4.79 116.67 112.16 2jx9 s ASP 74 Ca 0.00 2.94 0.02 0.00 -3.30 0.00 0.00 52.55 52.22 2jx9 s ASP 74 Cb 0.00 -2.66 0.59 0.00 -1.09 0.00 0.00 42.92 39.77 2jx9 s ASP 74 CO 0.00 -1.09 1.86 1.55 0.70 0.00 0.00 175.17 178.19 2jx9 h PRO 75 N 2.50 0.93 -0.45 2.11 0.13 -1.98 0.55 132.00 135.78 2jx9 h PRO 75 Ca -0.51 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.51 2jx9 h PRO 75 Cb 1.26 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2jx9 h PRO 75 CO 0.62 0.61 0.03 0.74 -0.23 0.00 0.00 178.00 179.77 2jx9 h PHE 76 N 0.96 0.75 -0.00 1.56 -1.00 -1.98 0.50 116.94 117.73 2jx9 h PHE 76 Ca 0.46 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 61.15 2jx9 h PHE 76 Cb 0.45 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.79 2jx9 h PHE 76 CO -0.00 0.69 -0.31 1.04 -1.61 0.00 0.00 178.31 178.12 2jx9 n GLN 77 N -4.25 0.55 0.00 1.51 6.02 -0.58 -3.78 117.38 116.85 2jx9 n GLN 77 Ca 0.03 -0.31 0.03 0.00 -0.01 0.00 0.00 57.00 56.73 2jx9 n GLN 77 Cb 0.27 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.05 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 -0.96 0.50 -0.13 -1.09 2.81 0.08 0.05 117.12 118.38 2jx9 n MET 78 Ca 0.10 -0.72 -0.11 0.00 -1.81 0.00 0.00 57.70 55.17 2jx9 n MET 78 Cb 0.34 -1.05 -0.02 0.00 -0.71 0.00 0.00 33.22 31.77 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 0.93 0.75 -6.10 0.03 5.08 -0.12 -3.41 114.58 111.73 2jx9 h GLU 79 Ca 0.00 -0.29 -0.58 0.00 -1.00 0.00 0.00 59.36 57.49 2jx9 h GLU 79 Cb 0.21 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2jx9 h GLU 79 CO 0.00 0.89 0.77 1.21 -1.00 0.00 0.00 179.01 180.89 2jx9 s ASN 80 N -6.37 7.12 -0.38 1.42 2.47 -1.26 -4.92 114.94 113.01 2jx9 s ASN 80 Ca -0.13 1.40 0.06 0.00 0.42 0.00 0.00 52.86 54.61 2jx9 s ASN 80 Cb 0.10 -2.54 0.49 0.00 -1.45 0.00 0.00 41.25 37.85 2jx9 s ASN 80 CO 0.81 -0.64 1.54 1.33 -3.72 0.00 0.00 177.10 176.42 2jx9 n VAL 81 N 5.23 2.82 -3.41 -5.21 0.24 -1.26 -4.73 118.33 112.01 2jx9 n VAL 81 Ca 0.12 -3.13 -0.27 0.00 -2.04 0.00 0.00 64.34 59.01 2jx9 n VAL 81 Cb 0.46 -0.72 -0.11 0.00 -1.47 0.00 0.00 33.84 32.01 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 -3.47 0.72 -0.15 7.34 -1.52 -0.94 -4.12 119.66 117.52 2jx9 s GLN 82 Ca 0.51 -1.64 -0.07 0.00 -1.95 0.00 0.00 55.36 52.22 2jx9 s GLN 82 Cb 0.43 -1.29 0.06 0.00 -0.22 0.00 0.00 33.01 32.00 2jx9 s GLN 82 CO 0.01 -1.29 0.33 0.00 -0.25 0.00 0.00 175.29 174.09 2jx9 s TYR 84 N 1.94 1.01 -0.32 0.00 1.51 -1.26 -2.18 117.35 118.05 2jx9 s TYR 84 Ca -0.05 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2jx9 s TYR 84 Cb -0.11 -0.58 0.13 0.00 -0.11 0.00 0.00 41.96 41.29 2jx9 s TYR 84 CO -0.11 0.01 0.22 -1.17 -1.11 0.00 0.00 175.55 173.39 2jx9 s LEU 85 N -1.65 0.51 0.18 -1.29 2.96 -1.18 -4.88 118.68 113.32 2jx9 s LEU 85 Ca -0.05 -1.60 -0.14 0.00 -0.22 0.00 0.00 54.13 52.13 2jx9 s LEU 85 Cb -0.10 -0.12 0.15 0.00 0.50 0.00 0.00 46.19 46.62 2jx9 s LEU 85 CO 0.02 -0.36 1.72 -0.65 -1.32 0.00 0.00 176.35 175.76 2jx9 h PRO 86 N 7.67 0.23 -0.30 0.98 0.11 -1.91 -2.22 132.00 136.56 2jx9 h PRO 86 Ca -0.06 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.13 2jx9 h PRO 86 Cb 1.01 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2jx9 h PRO 86 CO 0.32 0.15 0.31 -0.44 -0.21 0.00 0.00 178.00 178.13 2jx9 h ASP 87 N 0.23 0.00 -0.69 -2.05 3.32 -1.96 -0.62 116.42 114.65 2jx9 h ASP 87 Ca 0.22 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.44 2jx9 h ASP 87 Cb 0.28 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2jx9 h ASP 87 CO -0.29 0.00 0.48 0.00 -1.72 0.00 0.00 179.24 177.71 2jx9 h ALA 88 N 1.66 2.38 -0.16 3.45 0.00 -1.72 -1.05 119.26 123.82 2jx9 h ALA 88 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2jx9 h ALA 88 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jx9 h ALA 88 CO -0.00 -0.58 -0.02 0.35 0.00 0.00 0.00 179.25 179.00 2jx9 h PHE 89 N 0.19 0.33 -0.68 0.00 3.57 -1.22 -2.57 116.94 116.56 2jx9 h PHE 89 Ca 0.34 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 2jx9 h PHE 89 Cb 1.06 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2jx9 h PHE 89 CO -0.00 0.54 0.13 1.57 -2.23 0.00 0.00 178.31 178.32 2jx9 h LYS 90 N 0.03 1.12 0.05 1.11 2.10 -1.37 -1.23 116.57 118.37 2jx9 h LYS 90 Ca 0.04 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2jx9 h LYS 90 Cb 0.42 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2jx9 h LYS 90 CO 0.01 1.01 -0.05 0.82 -2.00 0.00 0.00 179.45 179.24 2jx9 h ILE 91 N 1.05 0.88 -0.17 0.07 2.04 -1.23 -1.80 117.51 118.35 2jx9 h ILE 91 Ca 0.21 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.96 2jx9 h ILE 91 Cb 0.42 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2jx9 h ILE 91 CO 0.01 0.00 -0.36 0.24 0.00 0.00 0.00 178.15 178.04 2jx9 h MET 92 N -0.11 0.36 -0.61 2.37 2.86 -1.40 -2.49 114.93 115.91 2jx9 h MET 92 Ca 0.00 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 2jx9 h MET 92 Cb 0.11 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2jx9 h MET 92 CO -0.02 0.68 0.40 0.77 1.06 0.00 0.00 176.91 179.79 2jx9 h SER 93 N 0.31 0.67 -0.09 1.22 0.02 -0.87 0.34 113.55 115.15 2jx9 h SER 93 Ca 0.03 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 2jx9 h SER 93 Cb 0.78 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2jx9 h SER 93 CO 0.06 0.48 -0.29 1.56 -1.14 0.00 0.00 176.83 177.51 2jx9 h GLN 94 N 0.80 0.56 0.01 3.45 4.20 -1.18 0.29 115.11 123.24 2jx9 h GLN 94 Ca 0.23 -0.23 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 2jx9 h GLN 94 Cb -0.06 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2jx9 h GLN 94 CO -0.06 0.79 -0.93 0.00 -0.67 0.00 0.00 178.83 177.95 2jx9 h ARG 95 N 0.48 0.32 0.00 1.46 3.08 -0.91 -3.38 114.38 115.43 2jx9 h ARG 95 Ca 0.06 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2jx9 h ARG 95 Cb 0.74 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2jx9 h ARG 95 CO 0.06 1.05 -0.46 0.00 -1.07 0.00 0.00 179.97 179.55 2jx9 s ASN 97 N -1.80 6.50 -0.68 0.00 -0.87 0.10 -2.25 114.94 115.94 2jx9 s ASN 97 Ca 0.02 2.81 0.00 0.00 -1.57 0.00 0.00 52.86 54.12 2jx9 s ASN 97 Cb 0.05 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.65 2jx9 s ASN 97 CO 0.28 -0.82 0.00 0.59 -2.57 0.00 0.00 177.10 174.58 2jx9 n ASN 98 N 2.35 -4.71 -4.52 -1.22 3.02 0.04 -4.97 115.26 105.25 2jx9 n ASN 98 Ca 0.08 0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 2jx9 n ASN 98 Cb 0.39 -2.78 -0.11 0.00 -0.61 0.00 0.00 39.78 36.66 2jx9 n ASN 98 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2jx9 s ARG 99 N -2.16 2.09 0.26 3.52 0.52 -0.95 -4.80 118.95 117.43 2jx9 s ARG 99 Ca 0.00 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.25 2jx9 s ARG 99 Cb 0.00 -2.25 0.35 0.00 0.52 0.00 0.00 34.95 33.57 2jx9 s ARG 99 CO 0.00 0.53 1.64 1.15 0.02 0.00 0.00 175.30 178.63 2jx9 h THR 100 N 3.64 1.34 -3.46 0.02 2.02 -1.87 0.92 112.91 115.51 2jx9 h THR 100 Ca -0.49 -1.69 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 2jx9 h THR 100 Cb 1.16 1.78 -0.14 0.00 -1.74 0.00 0.00 68.15 69.21 2jx9 h THR 100 CO 0.49 0.51 -0.20 0.00 0.37 0.00 0.00 175.52 176.69 2jx9 s GLN 101 N -4.02 0.94 -0.13 6.66 1.03 -1.26 0.92 119.66 123.80 2jx9 s GLN 101 Ca -0.05 -0.70 -0.24 0.00 0.04 0.00 0.00 55.36 54.41 2jx9 s GLN 101 Cb 0.13 0.40 0.06 0.00 0.03 0.00 0.00 33.01 33.63 2jx9 s GLN 101 CO 0.79 -0.33 0.59 0.00 -2.54 0.00 0.00 175.29 173.80 2jx9 s VAL 103 N -0.45 1.85 0.00 0.00 1.01 -1.26 -1.45 120.40 120.11 2jx9 s VAL 103 Ca -0.06 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2jx9 s VAL 103 Cb -0.03 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 2jx9 s VAL 103 CO 0.05 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.94 2jx9 s VAL 104 N 0.56 0.20 -0.29 2.92 1.01 -0.65 -4.95 120.40 119.20 2jx9 s VAL 104 Ca -0.14 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2jx9 s VAL 104 Cb -0.17 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.03 2jx9 s VAL 104 CO 0.05 0.02 1.20 -0.69 0.00 0.00 0.00 175.10 175.68 2jx9 s VAL 105 N -0.15 4.31 0.00 2.92 1.01 -1.26 0.16 120.40 127.39 2jx9 s VAL 105 Ca -0.00 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2jx9 s VAL 105 Cb -0.02 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2jx9 s VAL 105 CO -0.00 -0.42 0.95 0.00 0.00 0.00 0.00 175.10 175.63 2jx9 n ALA 106 N 7.16 2.67 -2.00 5.51 0.00 -0.91 -4.61 120.51 128.33 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 0.46 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.60 -0.35 2.64 0.00 0.00 -1.26 -2.42 105.19 105.40 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 -0.66 113.62 116.19 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 0.34 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.51 0.00 0.08 -3.46 8.00 -1.26 -2.00 116.55 116.39 2jx9 n ASP 109 Ca 0.00 -0.52 0.13 0.00 0.71 0.00 0.00 54.79 55.10 2jx9 n ASP 109 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.91 2.54 -3.74 2.24 0.00 -0.70 -4.78 120.51 115.17 2jx9 n ALA 110 Ca 0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2jx9 n ALA 110 Cb 0.04 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.24 0.00 0.00 0.08 0.16 -4.91 117.98 109.96 2jx9 s PHE 111 Ca 0.10 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.77 2jx9 s PHE 111 Cb 0.14 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.56 2jx9 s PHE 111 CO 0.63 -0.20 0.00 -2.30 -0.10 0.00 0.00 175.22 173.25 2jx9 n PRO 112 N 4.23 2.99 -3.37 0.24 -0.02 -1.26 -4.64 135.00 133.17 2jx9 n PRO 112 Ca -0.26 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.02 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 -2.45 1.54 0.01 2.55 -1.08 -1.26 -4.97 116.67 111.02 2jx9 s ASP 113 Ca 0.00 -1.81 0.25 0.00 -0.52 0.00 0.00 52.55 50.47 2jx9 s ASP 113 Cb 0.00 0.32 1.04 0.00 -1.46 0.00 0.00 42.92 42.82 2jx9 s ASP 113 CO 0.00 -0.26 1.79 -0.81 0.52 0.00 0.00 175.17 176.41 2jx9 n PRO 114 N 4.09 0.02 -2.70 4.34 -0.04 -1.26 -4.49 135.00 134.96 2jx9 n PRO 114 Ca 0.13 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2jx9 n PRO 114 Cb 0.43 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.54 0.19 -0.35 0.00 -0.04 -1.26 -3.08 135.00 132.00 2jx9 n PRO 116 Ca 0.04 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2jx9 n PRO 116 Cb 0.68 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2jx9 n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jx9 n GLY 117 N 1.14 1.15 3.26 0.55 0.00 -1.26 -5.03 105.19 105.00 2jx9 n GLY 117 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.92 1.58 -0.39 2.61 2.01 -1.18 -4.59 115.64 112.77 2jx9 s THR 118 Ca 0.00 -1.49 -0.26 0.00 0.31 0.00 0.00 61.69 60.25 2jx9 s THR 118 Cb 0.00 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.08 2jx9 s THR 118 CO 0.00 -0.09 0.94 -0.47 -0.69 0.00 0.00 174.62 174.31 2jx9 s TYR 119 N -1.18 3.04 0.00 4.92 6.14 0.11 -5.01 117.35 125.37 2jx9 s TYR 119 Ca 0.05 0.72 0.00 0.00 0.64 0.00 0.00 57.07 58.47 2jx9 s TYR 119 Cb -0.10 -3.73 0.00 0.00 0.42 0.00 0.00 41.96 38.55 2jx9 s TYR 119 CO 0.04 -0.89 0.00 1.63 0.64 0.00 0.00 175.55 176.97 2jx9 n LYS 120 N 6.88 1.58 -3.75 4.97 5.02 -1.26 -4.77 118.16 126.82 2jx9 n LYS 120 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 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 0.72 -0.04 -0.06 2.13 -0.85 0.22 -2.29 117.35 117.18 2jx9 s TYR 121 Ca 0.00 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.38 2jx9 s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.97 2jx9 s TYR 121 CO 0.00 -0.55 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.25 2jx9 s LEU 122 N -3.15 1.24 -0.12 -3.49 2.96 -0.91 -1.05 118.68 114.16 2jx9 s LEU 122 Ca 0.17 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2jx9 s LEU 122 Cb 0.01 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 46.13 2jx9 s LEU 122 CO -0.00 -0.07 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.06 2jx9 s GLU 123 N 1.17 2.71 -0.07 1.98 2.12 -0.83 -1.93 118.70 123.85 2jx9 s GLU 123 Ca -0.07 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.53 2jx9 s GLU 123 Cb -0.14 -2.20 0.02 0.00 0.26 0.00 0.00 34.13 32.07 2jx9 s GLU 123 CO -0.01 -0.00 -0.09 0.08 -0.54 0.00 0.00 175.26 174.70 2jx9 s VAL 124 N 0.80 0.94 -0.18 3.70 1.01 -0.65 -1.23 120.40 124.78 2jx9 s VAL 124 Ca -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2jx9 s VAL 124 Cb -0.16 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2jx9 s VAL 124 CO -0.00 0.32 -0.03 -1.10 0.00 0.00 0.00 175.10 174.29 2jx9 s GLN 125 N 0.95 3.62 0.14 2.72 1.11 0.14 -2.17 119.66 126.16 2jx9 s GLN 125 Ca -0.10 -0.53 -0.13 0.00 0.01 0.00 0.00 55.36 54.61 2jx9 s GLN 125 Cb -0.15 -2.98 0.02 0.00 -1.01 0.00 0.00 33.01 28.89 2jx9 s GLN 125 CO 0.00 0.11 0.36 1.52 0.01 0.00 0.00 175.29 177.29 2jx9 s TYR 126 N 0.71 0.02 0.26 0.91 1.13 -0.40 -1.81 117.35 118.16 2jx9 s TYR 126 Ca -0.01 -0.37 0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2jx9 s TYR 126 Cb -0.14 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 2jx9 s TYR 126 CO 0.02 -0.72 -0.15 -0.51 -2.51 0.00 0.00 175.55 171.68 2jx9 s ASP 127 N -2.87 3.84 -0.35 -0.18 1.01 -0.99 -0.60 116.67 116.54 2jx9 s ASP 127 Ca 0.08 -0.89 -0.06 0.00 0.71 0.00 0.00 52.55 52.39 2jx9 s ASP 127 Cb 0.02 -0.45 0.05 0.00 1.01 0.00 0.00 42.92 43.55 2jx9 s ASP 127 CO -0.07 0.04 0.12 0.00 0.21 0.00 0.00 175.17 175.47 2jx9 s VAL 129 N 1.37 3.31 0.43 0.00 -7.23 -0.88 -4.77 120.40 112.62 2jx9 s VAL 129 Ca -0.01 -1.76 -0.25 0.00 -1.81 0.00 0.00 61.98 58.16 2jx9 s VAL 129 Cb -0.20 -2.69 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 2jx9 s VAL 129 CO 0.02 -0.22 1.21 -2.65 -0.31 0.00 0.00 175.10 173.15 2jx9 n PRO 130 N -0.34 1.77 0.00 4.82 -0.02 -1.26 -1.21 135.00 138.76 2jx9 n PRO 130 Ca -0.09 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2jx9 n PRO 130 Cb 0.57 -2.30 0.71 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.31 0.00 1.29 6.00 9.36 -1.26 -2.37 117.16 129.88 2jx9 n TYR 131 Ca 0.07 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.42 2jx9 n TYR 131 Cb 0.40 -0.16 0.42 0.00 -0.63 0.00 0.00 39.34 39.37 2jx9 n TYR 131 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2jx9 n LYS 132 N -1.16 1.80 -2.92 2.98 4.76 -1.26 -4.88 118.16 117.49 2jx9 n LYS 132 Ca 0.16 -1.18 -0.40 0.00 -2.87 0.00 0.00 58.31 54.01 2jx9 n LYS 132 Cb 0.15 -1.45 -0.05 0.00 -1.84 0.00 0.00 35.03 31.84 2jx9 n LYS 132 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jx9 s VAL 133 N -1.90 4.77 0.00 -0.18 1.01 -1.00 -5.30 120.40 117.81 2jx9 s VAL 133 Ca 0.35 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.06 2jx9 s VAL 133 Cb 0.20 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2jx9 s VAL 133 CO 0.31 0.31 0.00 1.21 0.00 0.00 0.00 175.10 176.92