#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 -0.52 0.00 0.99 7.94 -1.26 -4.48 117.00 119.67 2jx9 n LEU 30 Ca 0.00 1.66 -0.16 0.00 -1.11 0.00 0.00 56.01 56.40 2jx9 n LEU 30 Cb 0.00 -0.43 0.16 0.00 0.53 0.00 0.00 43.42 43.68 2jx9 n LEU 30 CO 0.00 -1.53 0.18 -2.65 -1.11 0.00 0.00 177.39 172.28 2jx9 n PRO 31 N -5.47 -2.04 0.18 1.96 -0.02 -1.26 -5.00 135.00 123.35 2jx9 n PRO 31 Ca 0.12 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.82 2jx9 n PRO 31 Cb 0.42 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jx9 n PHE 32 N -4.48 -3.54 -2.52 6.00 7.35 -1.26 -5.06 117.46 113.94 2jx9 n PHE 32 Ca 0.07 1.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.73 2jx9 n PHE 32 Cb 0.32 2.32 0.01 0.00 0.35 0.00 0.00 39.48 42.49 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jx9 n GLY 33 N -0.16 0.56 0.00 7.13 0.00 -1.26 -4.90 105.19 106.57 2jx9 n GLY 33 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2jx9 n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jx9 n LEU 34 N -1.36 0.00 -1.70 0.99 -0.00 -1.26 -5.15 117.00 108.51 2jx9 n LEU 34 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2jx9 n LEU 34 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2jx9 n LEU 34 CO 0.11 0.00 -0.47 0.23 -0.00 0.00 0.00 177.39 177.26 2jx9 n MET 35 N 0.00 -4.72 -3.39 1.96 2.81 -1.26 -4.91 117.12 107.60 2jx9 n MET 35 Ca 0.00 3.52 -0.32 0.00 -1.81 0.00 0.00 57.70 59.09 2jx9 n MET 35 Cb 0.00 -4.00 -0.05 0.00 -0.71 0.00 0.00 33.22 28.46 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 -3.56 3.80 -0.11 0.03 0.52 -0.47 -4.96 118.95 114.21 2jx9 s ARG 36 Ca 0.00 0.29 -0.07 0.00 -0.52 0.00 0.00 55.73 55.42 2jx9 s ARG 36 Cb 0.00 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 32.88 2jx9 s ARG 36 CO 0.00 0.30 0.26 0.50 0.02 0.00 0.00 175.30 176.38 2jx9 s ARG 37 N -2.87 0.26 0.02 3.54 3.52 -1.26 -1.83 118.95 120.33 2jx9 s ARG 37 Ca 0.48 0.47 0.04 0.00 -0.13 0.00 0.00 55.73 56.59 2jx9 s ARG 37 Cb -0.11 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.27 2jx9 s ARG 37 CO 0.21 -0.11 -0.12 -1.21 -0.81 0.00 0.00 175.30 173.27 2jx9 s GLU 38 N 0.77 0.86 0.00 5.12 8.01 -0.80 -5.00 118.70 127.65 2jx9 s GLU 38 Ca -0.05 -0.62 0.01 0.00 0.01 0.00 0.00 54.97 54.32 2jx9 s GLU 38 Cb -0.06 -0.83 -0.00 0.00 -4.31 0.00 0.00 34.13 28.92 2jx9 s GLU 38 CO -0.05 0.21 -0.02 -1.17 0.01 0.00 0.00 175.26 174.24 2jx9 s LEU 39 N -0.86 2.03 -0.01 1.80 0.20 -1.26 -1.26 118.68 119.32 2jx9 s LEU 39 Ca 0.01 -0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.72 2jx9 s LEU 39 Cb -0.07 -0.07 0.00 0.00 -0.43 0.00 0.00 46.19 45.62 2jx9 s LEU 39 CO 0.01 -0.02 0.04 0.00 -0.29 0.00 0.00 176.35 176.09 2jx9 s ALA 40 N -0.22 -0.10 0.25 5.97 0.00 -0.92 -5.00 121.76 121.74 2jx9 s ALA 40 Ca -0.01 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2jx9 s ALA 40 Cb -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 2jx9 s ALA 40 CO -0.00 -0.05 1.40 0.00 0.00 0.00 0.00 175.76 177.11 2jx9 n GLU 42 N 2.26 1.04 0.00 0.00 2.13 -1.00 -1.82 120.64 123.25 2jx9 n GLU 42 Ca 0.06 0.37 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2jx9 n GLU 42 Cb 0.41 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.43 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 1.51 2.52 3.68 8.31 0.00 -0.95 -4.93 105.19 115.32 2jx9 n GLY 43 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 2.95 0.57 1.61 2.02 -0.76 -4.82 117.35 116.55 2jx9 s TYR 44 Ca 0.00 -0.05 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 2jx9 s TYR 44 Cb 0.00 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 2jx9 s TYR 44 CO 0.00 0.48 1.12 -1.25 -1.57 0.00 0.00 175.55 174.33 2jx9 s PRO 45 N -2.35 3.25 0.01 -1.71 0.04 -1.26 -1.96 135.00 131.01 2jx9 s PRO 45 Ca 0.25 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.91 2jx9 s PRO 45 Cb -0.11 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2jx9 s PRO 45 CO 0.18 -0.92 -0.21 -1.50 0.04 0.00 0.00 177.00 174.59 2jx9 s ILE 46 N -1.91 1.68 -0.07 0.56 2.07 0.68 -4.84 121.20 119.37 2jx9 s ILE 46 Ca 0.71 -1.03 0.02 0.00 -1.41 0.00 0.00 60.65 58.95 2jx9 s ILE 46 Cb -0.23 -1.42 0.01 0.00 0.13 0.00 0.00 42.46 40.95 2jx9 s ILE 46 CO 0.30 0.37 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.86 2jx9 s GLU 47 N -0.78 1.79 0.03 3.50 2.12 -1.26 -1.43 118.70 122.68 2jx9 s GLU 47 Ca 0.08 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 55.00 2jx9 s GLU 47 Cb -0.08 -1.47 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 2jx9 s GLU 47 CO 0.00 0.05 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.19 2jx9 s LEU 48 N 0.60 3.16 -0.15 2.70 1.43 -0.17 -4.96 118.68 121.30 2jx9 s LEU 48 Ca -0.14 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2jx9 s LEU 48 Cb -0.16 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.27 2jx9 s LEU 48 CO 0.04 0.25 0.34 -0.13 0.23 0.00 0.00 176.35 177.08 2jx9 s ARG 49 N -1.67 0.30 -0.04 1.70 0.52 -1.26 -1.60 118.95 116.91 2jx9 s ARG 49 Ca 0.19 0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 56.08 2jx9 s ARG 49 Cb -0.11 -0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.29 2jx9 s ARG 49 CO 0.10 -0.18 0.15 0.00 0.02 0.00 0.00 175.30 175.39 2jx9 s PRO 51 N -1.66 2.87 4.23 0.00 0.04 -1.26 -4.73 135.00 134.49 2jx9 s PRO 51 Ca 0.23 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2jx9 s PRO 51 Cb -0.12 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2jx9 s PRO 51 CO 0.14 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2jx9 n GLY 52 N -1.39 2.52 2.01 0.56 0.00 -1.26 -1.94 105.19 105.69 2jx9 n GLY 52 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 0.36 4.93 -4.89 1.61 3.41 -1.26 -4.97 113.62 112.81 2jx9 n SER 53 Ca 0.00 -3.17 -0.29 0.00 -0.26 0.00 0.00 58.87 55.14 2jx9 n SER 53 Cb 0.00 -0.74 0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 -0.95 5.38 0.05 4.04 1.01 -0.82 -1.55 116.67 123.83 2jx9 s ASP 54 Ca 0.55 1.01 0.05 0.00 0.71 0.00 0.00 52.55 54.86 2jx9 s ASP 54 Cb 0.43 -1.81 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 2jx9 s ASP 54 CO 0.14 -1.34 -0.14 0.68 0.21 0.00 0.00 175.17 174.71 2jx9 s VAL 55 N -3.31 1.13 0.25 -1.27 -7.23 0.49 -4.33 120.40 106.14 2jx9 s VAL 55 Ca 0.58 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 2jx9 s VAL 55 Cb -0.11 -1.04 -0.10 0.00 0.56 0.00 0.00 36.38 35.70 2jx9 s VAL 55 CO 0.50 -0.03 1.32 -0.63 -0.31 0.00 0.00 175.10 175.95 2jx9 s ILE 56 N -0.93 2.97 -0.32 -0.62 1.01 0.17 -2.11 121.20 121.36 2jx9 s ILE 56 Ca 0.01 0.86 -0.00 0.00 0.00 0.00 0.00 60.65 61.52 2jx9 s ILE 56 Cb -0.08 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 38.94 2jx9 s ILE 56 CO 0.01 0.16 0.10 0.00 0.00 0.00 0.00 174.94 175.21 2jx9 s MET 57 N -0.76 0.81 0.05 2.79 0.23 -0.23 -1.31 119.30 120.88 2jx9 s MET 57 Ca 0.54 -1.20 -0.30 0.00 -1.03 0.00 0.00 55.69 53.70 2jx9 s MET 57 Cb -0.38 -2.11 -0.08 0.00 -1.53 0.00 0.00 34.83 30.72 2jx9 s MET 57 CO 0.44 -0.99 1.77 0.08 -2.03 0.00 0.00 175.02 174.28 2jx9 s VAL 58 N 1.48 3.00 -0.23 5.16 1.01 -1.26 -2.39 120.40 127.17 2jx9 s VAL 58 Ca 0.10 0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 2jx9 s VAL 58 Cb -0.18 -3.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 2jx9 s VAL 58 CO -0.22 -0.01 -0.27 -0.62 0.00 0.00 0.00 175.10 173.98 2jx9 n GLU 59 N 6.33 0.51 -3.80 2.72 -0.58 -0.32 -4.96 120.64 120.55 2jx9 n GLU 59 Ca 0.17 0.19 -0.12 0.00 -0.42 0.00 0.00 57.16 56.98 2jx9 n GLU 59 Cb 0.40 -1.36 -0.10 0.00 -0.57 0.00 0.00 31.44 29.81 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 -6.78 -0.19 -0.10 1.62 0.01 -0.98 -5.03 114.94 103.50 2jx9 s ASN 60 Ca -0.31 0.26 -0.31 0.00 -0.71 0.00 0.00 52.86 51.79 2jx9 s ASN 60 Cb 0.11 0.41 0.09 0.00 0.41 0.00 0.00 41.25 42.27 2jx9 s ASN 60 CO 0.44 -0.23 0.82 0.00 -1.51 0.00 0.00 177.10 176.61 2jx9 s ALA 61 N -0.54 -1.84 -0.03 0.60 0.00 -1.26 0.13 121.76 118.82 2jx9 s ALA 61 Ca -0.06 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 2jx9 s ALA 61 Cb -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2jx9 s ALA 61 CO 0.02 -0.34 0.27 1.21 0.00 0.00 0.00 175.76 176.91 2jx9 s ASN 62 N -1.15 -0.17 -0.19 0.00 2.47 -0.66 -3.46 114.94 111.78 2jx9 s ASN 62 Ca -0.07 0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.35 2jx9 s ASN 62 Cb -0.00 0.36 0.02 0.00 -1.45 0.00 0.00 41.25 40.17 2jx9 s ASN 62 CO 0.06 -0.34 -0.17 -0.47 -3.72 0.00 0.00 177.10 172.46 2jx9 s TYR 63 N -0.97 2.81 0.00 0.43 5.04 -1.25 -2.10 117.35 121.31 2jx9 s TYR 63 Ca -0.10 -1.53 0.00 0.00 -2.44 0.00 0.00 57.07 53.00 2jx9 s TYR 63 Cb -0.05 -1.95 0.00 0.00 0.35 0.00 0.00 41.96 40.31 2jx9 s TYR 63 CO 0.03 -0.77 0.00 0.41 -1.34 0.00 0.00 175.55 173.88 2jx9 n GLY 64 N 4.65 -0.51 3.25 8.97 0.00 -0.35 -3.14 105.19 118.06 2jx9 n GLY 64 Ca -0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.70 0.42 0.00 1.61 3.52 -0.75 0.62 118.95 122.67 2jx9 s ARG 65 Ca 0.00 1.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 2jx9 s ARG 65 Cb 0.00 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2jx9 s ARG 65 CO 0.00 -0.38 0.92 0.25 -0.81 0.00 0.00 175.30 175.28 2jx9 n THR 66 N 5.40 0.85 -3.79 4.11 -2.24 -1.26 0.83 114.28 118.18 2jx9 n THR 66 Ca -0.07 -0.86 -0.06 0.00 -2.27 0.00 0.00 64.05 60.79 2jx9 n THR 66 Cb 0.50 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.47 0.00 3.42 2.03 -1.26 -4.68 116.55 115.17 2jx9 n ASP 67 Ca 0.00 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.60 2jx9 n ASP 67 Cb 0.27 0.89 0.00 0.00 -0.72 0.00 0.00 41.12 41.57 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 -2.02 0.00 -1.07 1.67 5.68 -1.26 -4.51 116.55 115.03 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 40.39 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 2.40 -4.96 0.11 5.02 -1.26 -4.88 118.16 114.59 2jx9 n LYS 69 Ca 0.00 -2.20 -0.32 0.00 -2.02 0.00 0.00 58.31 53.76 2jx9 n LYS 69 Cb 0.30 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.42 2.84 -0.57 -0.18 -1.09 -1.26 -4.78 121.20 114.74 2jx9 s ILE 70 Ca 0.36 -0.79 -0.14 0.00 -2.23 0.00 0.00 60.65 57.84 2jx9 s ILE 70 Cb 0.21 -2.11 0.02 0.00 -1.58 0.00 0.00 42.46 39.01 2jx9 s ILE 70 CO 0.29 0.58 0.64 0.00 -1.23 0.00 0.00 174.94 175.22 2jx9 n ASP 72 N -1.00 3.58 -0.91 0.00 2.03 -1.26 -4.96 116.55 114.02 2jx9 n ASP 72 Ca -0.02 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.27 2jx9 n ASP 72 Cb 0.55 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 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 6.18 0.00 -1.78 -1.67 0.00 -1.26 -5.10 120.51 116.87 2jx9 n ALA 73 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 2jx9 n ALA 73 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.51 6.43 0.45 0.00 -4.77 -1.26 -4.81 116.67 112.19 2jx9 s ASP 74 Ca 0.00 2.88 0.19 0.00 -3.30 0.00 0.00 52.55 52.32 2jx9 s ASP 74 Cb 0.00 -2.63 1.15 0.00 -1.09 0.00 0.00 42.92 40.35 2jx9 s ASP 74 CO 0.00 -0.89 1.90 1.55 0.70 0.00 0.00 175.17 178.43 2jx9 h PRO 75 N 5.25 0.31 -0.38 2.11 0.13 -1.99 0.42 132.00 137.85 2jx9 h PRO 75 Ca -0.46 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2jx9 h PRO 75 Cb 1.22 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jx9 h PRO 75 CO 0.82 0.21 0.04 0.74 -0.23 0.00 0.00 178.00 179.58 2jx9 h PHE 76 N 0.32 0.60 0.00 1.56 -1.00 -1.97 0.34 116.94 116.79 2jx9 h PHE 76 Ca 0.40 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.13 2jx9 h PHE 76 Cb 1.09 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.47 2jx9 h PHE 76 CO -0.00 0.55 -0.25 1.04 -1.61 0.00 0.00 178.31 178.04 2jx9 n GLN 77 N -4.29 0.28 0.00 1.51 6.02 0.03 -3.14 117.38 117.79 2jx9 n GLN 77 Ca 0.02 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.30 2jx9 n GLN 77 Cb 0.23 -1.76 0.11 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.21 2.16 0.12 -1.09 2.81 -0.21 -2.20 117.12 116.50 2jx9 n MET 78 Ca 0.05 -1.77 -0.14 0.00 -1.81 0.00 0.00 57.70 54.03 2jx9 n MET 78 Cb 0.44 -1.46 -0.08 0.00 -0.71 0.00 0.00 33.22 31.40 2jx9 n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jx9 h GLU 79 N 4.32 -0.25 -6.20 0.03 5.08 -0.36 -3.42 114.58 113.78 2jx9 h GLU 79 Ca 0.00 0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 57.80 2jx9 h GLU 79 Cb 0.95 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 2jx9 h GLU 79 CO 0.00 -0.09 0.74 1.21 -1.00 0.00 0.00 179.01 179.87 2jx9 s ASN 80 N -5.05 6.84 -0.48 1.42 2.47 -1.26 -4.91 114.94 113.97 2jx9 s ASN 80 Ca -0.15 0.89 0.03 0.00 0.42 0.00 0.00 52.86 54.06 2jx9 s ASN 80 Cb 0.04 -2.51 0.53 0.00 -1.45 0.00 0.00 41.25 37.86 2jx9 s ASN 80 CO 0.64 -0.85 1.79 1.33 -3.72 0.00 0.00 177.10 176.28 2jx9 n VAL 81 N 5.87 3.16 -3.44 -5.21 0.24 -1.26 -4.72 118.33 112.97 2jx9 n VAL 81 Ca 0.10 -2.76 -0.28 0.00 -2.04 0.00 0.00 64.34 59.36 2jx9 n VAL 81 Cb 0.47 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 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 -3.53 0.73 -0.16 7.34 -1.52 -0.89 -4.02 119.66 117.61 2jx9 s GLN 82 Ca 0.57 -1.68 -0.05 0.00 -1.95 0.00 0.00 55.36 52.24 2jx9 s GLN 82 Cb 0.47 -1.39 0.08 0.00 -0.22 0.00 0.00 33.01 31.95 2jx9 s GLN 82 CO 0.03 -1.28 0.31 0.00 -0.25 0.00 0.00 175.29 174.10 2jx9 s TYR 84 N 2.48 1.33 -0.40 0.00 1.51 -1.26 -1.81 117.35 119.20 2jx9 s TYR 84 Ca 0.02 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 2jx9 s TYR 84 Cb -0.13 -0.71 0.16 0.00 -0.11 0.00 0.00 41.96 41.18 2jx9 s TYR 84 CO -0.10 0.11 0.39 -1.17 -1.11 0.00 0.00 175.55 173.67 2jx9 s LEU 85 N -2.38 0.31 0.24 -1.29 2.96 -1.19 -4.85 118.68 112.49 2jx9 s LEU 85 Ca 0.07 -2.13 -0.08 0.00 -0.22 0.00 0.00 54.13 51.77 2jx9 s LEU 85 Cb -0.05 0.33 0.41 0.00 0.50 0.00 0.00 46.19 47.38 2jx9 s LEU 85 CO 0.02 -0.21 1.64 -0.65 -1.32 0.00 0.00 176.35 175.84 2jx9 h PRO 86 N 6.33 0.11 -0.09 0.98 0.11 -1.90 -0.76 132.00 136.78 2jx9 h PRO 86 Ca 0.12 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.25 2jx9 h PRO 86 Cb 1.01 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jx9 h PRO 86 CO 0.23 0.07 0.18 -0.44 -0.21 0.00 0.00 178.00 177.83 2jx9 h ASP 87 N 0.11 0.00 -0.51 -2.05 3.32 -1.96 -1.33 116.42 114.01 2jx9 h ASP 87 Ca 0.40 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.57 2jx9 h ASP 87 Cb 0.68 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 2jx9 h ASP 87 CO -0.63 0.00 0.35 0.00 -1.72 0.00 0.00 179.24 177.24 2jx9 h ALA 88 N 1.72 2.28 -0.56 3.45 0.00 -1.42 -0.86 119.26 123.87 2jx9 h ALA 88 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jx9 h ALA 88 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jx9 h ALA 88 CO -0.00 -0.41 0.17 0.35 0.00 0.00 0.00 179.25 179.36 2jx9 h PHE 89 N 0.15 0.91 -0.49 0.00 3.57 -1.27 -2.74 116.94 117.07 2jx9 h PHE 89 Ca 0.24 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 2jx9 h PHE 89 Cb 0.75 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2jx9 h PHE 89 CO -0.00 0.77 0.01 1.57 -2.23 0.00 0.00 178.31 178.43 2jx9 h LYS 90 N 0.78 0.86 -0.11 1.11 2.10 -1.32 -0.21 116.57 119.78 2jx9 h LYS 90 Ca 0.18 -0.27 0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2jx9 h LYS 90 Cb 0.29 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 2jx9 h LYS 90 CO -0.00 0.89 -0.00 0.82 -2.00 0.00 0.00 179.45 179.15 2jx9 h ILE 91 N 0.72 0.93 -0.10 0.07 2.04 -1.39 -1.08 117.51 118.69 2jx9 h ILE 91 Ca 0.14 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.85 2jx9 h ILE 91 Cb 0.50 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2jx9 h ILE 91 CO 0.02 0.01 -0.54 0.24 0.00 0.00 0.00 178.15 177.87 2jx9 h MET 92 N 0.03 0.29 -0.47 2.37 2.86 -1.46 -2.36 114.93 116.20 2jx9 h MET 92 Ca 0.05 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2jx9 h MET 92 Cb 0.06 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2jx9 h MET 92 CO -0.08 0.76 0.29 0.77 1.06 0.00 0.00 176.91 179.70 2jx9 h SER 93 N 0.22 0.48 -0.41 1.22 0.02 -0.61 0.49 113.55 114.95 2jx9 h SER 93 Ca 0.00 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2jx9 h SER 93 Cb 1.03 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2jx9 h SER 93 CO 0.09 0.34 -0.02 1.56 -1.14 0.00 0.00 176.83 177.65 2jx9 h GLN 94 N 0.58 0.82 0.03 3.45 4.20 -1.11 0.13 115.11 123.20 2jx9 h GLN 94 Ca 0.18 -0.24 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 2jx9 h GLN 94 Cb -0.01 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2jx9 h GLN 94 CO -0.07 0.84 -1.00 0.00 -0.67 0.00 0.00 178.83 177.93 2jx9 h ARG 95 N 0.76 0.36 0.00 1.46 3.08 -0.80 -3.38 114.38 115.86 2jx9 h ARG 95 Ca 0.14 -0.42 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 2jx9 h ARG 95 Cb 0.49 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2jx9 h ARG 95 CO 0.02 1.11 -1.57 0.00 -1.07 0.00 0.00 179.97 178.47 2jx9 n ASN 97 N -1.98 3.34 -0.24 0.00 3.02 0.44 -1.51 115.26 118.33 2jx9 n ASN 97 Ca -0.04 1.13 -0.03 0.00 -0.03 0.00 0.00 54.58 55.61 2jx9 n ASN 97 Cb 0.39 -1.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.04 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 2.42 -4.74 -4.54 6.41 4.13 -0.43 -4.96 115.26 113.55 2jx9 n ASN 98 Ca 0.11 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.14 2jx9 n ASN 98 Cb 0.34 -2.51 -0.11 0.00 -1.54 0.00 0.00 39.78 35.95 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 -1.67 2.24 0.28 3.52 0.52 -0.57 -4.82 118.95 118.46 2jx9 s ARG 99 Ca 0.00 -0.92 0.13 0.00 -0.52 0.00 0.00 55.73 54.42 2jx9 s ARG 99 Cb 0.00 -2.32 0.37 0.00 0.52 0.00 0.00 34.95 33.52 2jx9 s ARG 99 CO 0.00 0.55 1.60 1.15 0.02 0.00 0.00 175.30 178.62 2jx9 h THR 100 N 3.66 1.30 -2.97 0.02 2.02 -1.85 0.48 112.91 115.57 2jx9 h THR 100 Ca -0.48 -2.10 -0.09 0.00 0.77 0.00 0.00 66.41 64.50 2jx9 h THR 100 Cb 1.16 2.17 -0.18 0.00 -1.74 0.00 0.00 68.15 69.56 2jx9 h THR 100 CO 0.51 0.58 -0.16 0.00 0.37 0.00 0.00 175.52 176.81 2jx9 s GLN 101 N -3.49 0.82 -0.14 6.66 1.03 -1.26 0.71 119.66 123.99 2jx9 s GLN 101 Ca -0.00 -0.26 -0.18 0.00 0.04 0.00 0.00 55.36 54.96 2jx9 s GLN 101 Cb 0.12 0.37 0.05 0.00 0.03 0.00 0.00 33.01 33.57 2jx9 s GLN 101 CO 0.75 -0.26 0.48 0.00 -2.54 0.00 0.00 175.29 173.72 2jx9 s VAL 103 N -0.17 1.67 0.02 0.00 1.01 -1.26 -1.00 120.40 120.66 2jx9 s VAL 103 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2jx9 s VAL 103 Cb -0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2jx9 s VAL 103 CO 0.02 0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 2jx9 s VAL 104 N 0.86 0.18 -0.37 2.92 1.01 -0.51 -4.96 120.40 119.52 2jx9 s VAL 104 Ca -0.08 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2jx9 s VAL 104 Cb -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2jx9 s VAL 104 CO -0.00 -0.31 1.17 -0.69 0.00 0.00 0.00 175.10 175.27 2jx9 s VAL 105 N -0.97 4.29 0.00 2.92 1.01 -1.26 -0.23 120.40 126.16 2jx9 s VAL 105 Ca -0.10 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 2jx9 s VAL 105 Cb -0.07 -4.41 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2jx9 s VAL 105 CO -0.00 -0.67 1.35 0.00 0.00 0.00 0.00 175.10 175.77 2jx9 n ALA 106 N 7.47 3.11 0.00 5.51 0.00 -0.83 -4.61 120.51 131.17 2jx9 n ALA 106 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2jx9 n ALA 106 Cb 0.48 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.95 -0.18 2.82 0.00 0.00 -1.26 -2.23 105.19 106.28 2jx9 n GLY 107 Ca 0.05 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2jx9 n SER 108 Cb 0.00 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.61 0.00 0.04 -3.46 9.92 -1.26 -1.85 116.55 118.33 2jx9 n ASP 109 Ca 0.00 -0.41 0.13 0.00 -0.53 0.00 0.00 54.79 53.97 2jx9 n ASP 109 Cb 0.00 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 40.83 2jx9 n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jx9 n ALA 110 N -0.94 2.79 -3.73 2.24 0.00 -0.48 -4.78 120.51 115.61 2jx9 n ALA 110 Ca 0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 2jx9 n ALA 110 Cb 0.04 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 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 -3.07 -0.23 0.00 0.00 0.08 0.34 -4.89 117.98 110.21 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 0.16 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 2jx9 s PHE 111 CO 0.64 -0.21 0.00 -2.30 -0.10 0.00 0.00 175.22 173.25 2jx9 n PRO 112 N 4.43 3.11 -3.36 0.24 -0.02 -1.26 -4.63 135.00 133.51 2jx9 n PRO 112 Ca -0.22 0.00 -0.24 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 33.90 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 -2.48 1.60 0.00 2.55 -1.08 -1.26 -4.96 116.67 111.04 2jx9 s ASP 113 Ca 0.00 -2.46 0.29 0.00 -0.52 0.00 0.00 52.55 49.86 2jx9 s ASP 113 Cb 0.00 -0.07 1.46 0.00 -1.46 0.00 0.00 42.92 42.85 2jx9 s ASP 113 CO 0.00 -0.22 2.00 -0.81 0.52 0.00 0.00 175.17 176.66 2jx9 n PRO 114 N 3.43 0.43 -2.73 4.34 -0.04 -1.26 -4.38 135.00 134.79 2jx9 n PRO 114 Ca 0.21 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 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 1.81 2.30 -0.24 0.00 -0.02 -1.26 -2.38 135.00 135.21 2jx9 n PRO 116 Ca 0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2jx9 n PRO 116 Cb 0.64 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.65 0.76 3.27 -1.23 0.00 -1.26 -5.05 105.19 102.33 2jx9 n GLY 117 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.57 1.72 -0.32 2.61 2.01 -1.00 -4.52 115.64 113.55 2jx9 s THR 118 Ca 0.00 -1.31 -0.28 0.00 0.31 0.00 0.00 61.69 60.41 2jx9 s THR 118 Cb 0.00 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 71.01 2jx9 s THR 118 CO 0.00 0.14 1.01 -0.47 -0.69 0.00 0.00 174.62 174.61 2jx9 s TYR 119 N -0.90 3.15 0.00 4.92 5.04 -0.93 -4.98 117.35 123.64 2jx9 s TYR 119 Ca 0.08 1.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 2jx9 s TYR 119 Cb -0.09 -3.61 0.00 0.00 0.35 0.00 0.00 41.96 38.61 2jx9 s TYR 119 CO 0.03 -0.74 0.00 1.63 -1.34 0.00 0.00 175.55 175.12 2jx9 n LYS 120 N 6.75 1.10 -3.73 4.97 5.02 -1.26 -4.81 118.16 126.20 2jx9 n LYS 120 Ca 0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.36 2jx9 n LYS 120 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.39 -0.13 -0.09 2.13 -0.85 0.20 -2.37 117.35 116.63 2jx9 s TYR 121 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 2jx9 s TYR 121 Cb 0.00 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.99 2jx9 s TYR 121 CO 0.00 -0.75 -0.08 -1.17 -1.52 0.00 0.00 175.55 172.03 2jx9 s LEU 122 N -2.93 1.23 -0.13 -3.49 2.96 -0.93 -1.22 118.68 114.18 2jx9 s LEU 122 Ca 0.12 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2jx9 s LEU 122 Cb -0.01 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 2jx9 s LEU 122 CO 0.01 -0.09 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.06 2jx9 s GLU 123 N 1.47 3.15 -0.06 1.98 2.12 -0.89 -2.17 118.70 124.29 2jx9 s GLU 123 Ca -0.00 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2jx9 s GLU 123 Cb -0.13 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 31.81 2jx9 s GLU 123 CO -0.05 0.12 -0.04 0.08 -0.54 0.00 0.00 175.26 174.83 2jx9 s VAL 124 N 0.53 0.60 -0.17 3.70 1.01 -0.39 -1.65 120.40 124.03 2jx9 s VAL 124 Ca -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2jx9 s VAL 124 Cb -0.17 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2jx9 s VAL 124 CO 0.04 0.27 -0.03 -1.10 0.00 0.00 0.00 175.10 174.28 2jx9 s GLN 125 N 1.35 3.66 0.25 2.72 1.11 0.12 -1.91 119.66 126.97 2jx9 s GLN 125 Ca -0.04 -0.52 -0.15 0.00 0.01 0.00 0.00 55.36 54.66 2jx9 s GLN 125 Cb -0.13 -2.96 0.00 0.00 -1.01 0.00 0.00 33.01 28.91 2jx9 s GLN 125 CO -0.03 0.19 0.55 1.52 0.01 0.00 0.00 175.29 177.53 2jx9 s TYR 126 N 0.51 0.18 0.24 0.91 1.13 -0.76 -1.17 117.35 118.38 2jx9 s TYR 126 Ca -0.03 -0.57 0.10 0.00 -1.41 0.00 0.00 57.07 55.16 2jx9 s TYR 126 Cb -0.14 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 41.02 2jx9 s TYR 126 CO 0.03 -1.06 -0.18 -0.51 -2.51 0.00 0.00 175.55 171.32 2jx9 s ASP 127 N -2.98 3.10 -0.32 -0.18 1.01 -1.00 -1.37 116.67 114.92 2jx9 s ASP 127 Ca 0.18 -1.00 -0.06 0.00 0.71 0.00 0.00 52.55 52.38 2jx9 s ASP 127 Cb -0.02 -0.22 0.03 0.00 1.01 0.00 0.00 42.92 43.71 2jx9 s ASP 127 CO 0.08 -0.05 0.09 0.00 0.21 0.00 0.00 175.17 175.50 2jx9 s VAL 129 N 1.44 2.34 0.50 0.00 -7.23 -0.90 -4.77 120.40 111.78 2jx9 s VAL 129 Ca 0.00 -2.29 -0.22 0.00 -1.81 0.00 0.00 61.98 57.66 2jx9 s VAL 129 Cb -0.18 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.46 2jx9 s VAL 129 CO 0.02 -0.37 1.03 -2.65 -0.31 0.00 0.00 175.10 172.83 2jx9 n PRO 130 N -0.38 1.25 0.13 4.82 -0.02 -1.26 0.19 135.00 139.72 2jx9 n PRO 130 Ca -0.07 0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 61.85 2jx9 n PRO 130 Cb 0.59 -2.16 0.18 0.00 -0.02 0.00 0.00 33.50 32.09 2jx9 n PRO 130 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2jx9 h TYR 131 N 1.16 0.04 -2.81 6.00 3.20 -1.58 -3.42 116.97 119.55 2jx9 h TYR 131 Ca -0.47 -0.01 -0.64 0.00 3.14 0.00 0.00 58.73 60.75 2jx9 h TYR 131 Cb 1.34 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.54 2jx9 h TYR 131 CO 0.41 0.62 -0.37 0.15 -1.64 0.00 0.00 178.16 177.33 2jx9 s LYS 132 N -3.66 3.62 -0.04 1.82 1.02 -1.26 -5.05 119.74 116.18 2jx9 s LYS 132 Ca -0.02 0.06 -0.21 0.00 0.02 0.00 0.00 55.97 55.82 2jx9 s LYS 132 Cb 0.13 -3.18 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 2jx9 s LYS 132 CO 0.76 0.73 0.61 0.54 -0.92 0.00 0.00 175.35 177.07 2jx9 s VAL 133 N -1.10 5.00 0.00 3.17 0.11 -1.26 -5.18 120.40 121.14 2jx9 s VAL 133 Ca 0.20 1.26 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 2jx9 s VAL 133 Cb -0.14 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2jx9 s VAL 133 CO 0.09 0.35 0.00 -0.62 -3.33 0.00 0.00 175.10 171.59