#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 -0.59 -4.59 0.99 4.77 -1.26 -4.51 117.00 111.81 2jx9 n LEU 30 Ca 0.00 1.37 -0.37 0.00 -0.03 0.00 0.00 56.01 56.98 2jx9 n LEU 30 Cb 0.00 -0.32 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2jx9 n LEU 30 CO 0.00 -0.99 0.47 -0.81 -1.33 0.00 0.00 177.39 174.72 2jx9 n PRO 31 N -4.25 0.71 0.16 3.23 -0.04 -1.26 -4.93 135.00 128.63 2jx9 n PRO 31 Ca 0.01 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2jx9 n PRO 31 Cb 0.14 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2jx9 n PRO 31 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2jx9 n PHE 32 N -2.00 -3.43 -0.83 0.54 -1.74 -1.26 -4.99 117.46 103.74 2jx9 n PHE 32 Ca 0.13 0.95 0.00 0.00 -0.56 0.00 0.00 57.45 57.97 2jx9 n PHE 32 Cb 0.48 2.26 0.00 0.00 1.52 0.00 0.00 39.48 43.74 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2jx9 n GLY 33 N -0.25 0.06 3.07 4.97 0.00 -1.26 -4.85 105.19 106.93 2jx9 n GLY 33 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.18 0.37 0.99 1.98 -1.26 -5.11 118.68 114.47 2jx9 s LEU 34 Ca 0.00 0.50 0.00 0.00 -2.89 0.00 0.00 54.13 51.74 2jx9 s LEU 34 Cb 0.00 1.79 0.00 0.00 0.66 0.00 0.00 46.19 48.64 2jx9 s LEU 34 CO 0.00 -0.28 0.00 0.23 -1.89 0.00 0.00 176.35 174.41 2jx9 n MET 35 N 5.41 -3.51 -3.21 1.98 2.81 -1.26 -4.91 117.12 114.42 2jx9 n MET 35 Ca -0.01 2.60 -0.32 0.00 -1.81 0.00 0.00 57.70 58.16 2jx9 n MET 35 Cb 0.51 -3.07 -0.05 0.00 -0.71 0.00 0.00 33.22 29.90 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 -3.05 3.86 -0.10 0.03 0.52 0.25 -4.93 118.95 115.52 2jx9 s ARG 36 Ca 0.00 0.44 -0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2jx9 s ARG 36 Cb 0.00 -2.52 0.04 0.00 0.52 0.00 0.00 34.95 32.99 2jx9 s ARG 36 CO 0.00 0.19 0.25 0.50 0.02 0.00 0.00 175.30 176.26 2jx9 s ARG 37 N -3.10 0.25 0.02 3.54 3.52 -1.26 -1.36 118.95 120.56 2jx9 s ARG 37 Ca 0.50 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.61 2jx9 s ARG 37 Cb -0.11 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2jx9 s ARG 37 CO 0.22 -0.11 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.28 2jx9 s GLU 38 N 0.84 0.71 -0.01 5.12 8.01 -0.50 -4.99 118.70 127.88 2jx9 s GLU 38 Ca -0.06 -0.58 -0.00 0.00 0.01 0.00 0.00 54.97 54.34 2jx9 s GLU 38 Cb -0.07 -0.65 0.01 0.00 -4.31 0.00 0.00 34.13 29.11 2jx9 s GLU 38 CO -0.05 0.16 0.01 -1.17 0.01 0.00 0.00 175.26 174.22 2jx9 s LEU 39 N -0.90 1.75 0.00 1.80 0.20 -1.26 -0.51 118.68 119.76 2jx9 s LEU 39 Ca -0.01 0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.84 2jx9 s LEU 39 Cb -0.07 -0.00 -0.01 0.00 -0.43 0.00 0.00 46.19 45.69 2jx9 s LEU 39 CO 0.00 -0.03 -0.04 0.00 -0.29 0.00 0.00 176.35 175.99 2jx9 s ALA 40 N 0.27 0.35 0.26 5.97 0.00 -0.72 -4.99 121.76 122.90 2jx9 s ALA 40 Ca -0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 2jx9 s ALA 40 Cb -0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.92 2jx9 s ALA 40 CO -0.01 0.07 1.39 0.00 0.00 0.00 0.00 175.76 177.21 2jx9 n GLU 42 N 1.99 0.98 0.00 0.00 2.13 -0.96 -1.65 120.64 123.12 2jx9 n GLU 42 Ca 0.05 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2jx9 n GLU 42 Cb 0.41 -1.75 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 1.81 2.25 3.77 8.31 0.00 -0.99 -4.92 105.19 115.41 2jx9 n GLY 43 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.45 3.05 0.46 1.61 2.02 -0.66 -4.78 117.35 116.61 2jx9 s TYR 44 Ca 0.00 -0.07 -0.21 0.00 -0.37 0.00 0.00 57.07 56.42 2jx9 s TYR 44 Cb 0.00 -1.45 -0.10 0.00 -0.40 0.00 0.00 41.96 40.02 2jx9 s TYR 44 CO 0.00 0.52 1.00 -1.25 -1.57 0.00 0.00 175.55 174.26 2jx9 s PRO 45 N -3.23 3.98 0.06 -1.71 0.04 -1.26 -1.12 135.00 131.76 2jx9 s PRO 45 Ca 0.31 1.26 0.09 0.00 0.04 0.00 0.00 61.00 62.70 2jx9 s PRO 45 Cb -0.09 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2jx9 s PRO 45 CO 0.22 -0.26 -0.26 -1.50 0.04 0.00 0.00 177.00 175.25 2jx9 s ILE 46 N -2.06 2.09 -0.07 0.56 2.07 0.74 -4.86 121.20 119.66 2jx9 s ILE 46 Ca 0.65 -1.44 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 2jx9 s ILE 46 Cb -0.13 -1.80 0.01 0.00 0.13 0.00 0.00 42.46 40.67 2jx9 s ILE 46 CO 0.17 0.28 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.67 2jx9 s GLU 47 N -1.40 1.70 0.02 3.50 2.12 -1.26 -1.67 118.70 121.71 2jx9 s GLU 47 Ca 0.11 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 55.09 2jx9 s GLU 47 Cb -0.10 -1.45 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 2jx9 s GLU 47 CO 0.03 -0.02 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.14 2jx9 s LEU 48 N 0.84 3.12 -0.13 2.70 1.43 -0.44 -4.96 118.68 121.23 2jx9 s LEU 48 Ca -0.11 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2jx9 s LEU 48 Cb -0.15 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.30 2jx9 s LEU 48 CO 0.02 0.26 0.32 -0.13 0.23 0.00 0.00 176.35 177.04 2jx9 s ARG 49 N -1.57 0.31 0.03 1.70 0.52 -1.26 -2.10 118.95 116.59 2jx9 s ARG 49 Ca 0.18 0.57 -0.01 0.00 -0.52 0.00 0.00 55.73 55.96 2jx9 s ARG 49 Cb -0.11 0.00 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 2jx9 s ARG 49 CO 0.09 -0.12 0.18 0.00 0.02 0.00 0.00 175.30 175.47 2jx9 s PRO 51 N -2.25 3.03 4.89 0.00 0.04 -1.26 -4.76 135.00 134.69 2jx9 s PRO 51 Ca 0.31 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2jx9 s PRO 51 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2jx9 s PRO 51 CO 0.23 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2jx9 n GLY 52 N -1.90 3.26 0.95 0.56 0.00 -1.26 -1.78 105.19 105.01 2jx9 n GLY 52 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 3.89 3.03 -4.85 1.61 3.41 -1.26 -5.02 113.62 114.43 2jx9 n SER 53 Ca 0.00 -3.41 -0.29 0.00 -0.26 0.00 0.00 58.87 54.91 2jx9 n SER 53 Cb 0.00 -0.58 0.09 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.33 4.58 0.05 4.04 1.01 -0.73 -3.07 116.67 120.21 2jx9 s ASP 54 Ca 0.42 1.03 0.06 0.00 0.71 0.00 0.00 52.55 54.77 2jx9 s ASP 54 Cb 0.37 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.60 2jx9 s ASP 54 CO 0.04 -1.88 -0.17 0.68 0.21 0.00 0.00 175.17 174.04 2jx9 s VAL 55 N -3.37 1.38 0.27 -1.27 -7.23 0.89 -4.35 120.40 106.73 2jx9 s VAL 55 Ca 0.61 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 2jx9 s VAL 55 Cb -0.12 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.49 2jx9 s VAL 55 CO 0.52 0.07 1.26 -0.63 -0.31 0.00 0.00 175.10 176.00 2jx9 s ILE 56 N -0.88 3.07 -0.29 -0.62 1.01 0.30 -2.32 121.20 121.47 2jx9 s ILE 56 Ca 0.04 1.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.69 2jx9 s ILE 56 Cb -0.08 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.84 2jx9 s ILE 56 CO 0.02 0.21 0.07 0.00 0.00 0.00 0.00 174.94 175.24 2jx9 s MET 57 N -1.10 0.83 0.08 2.79 0.23 -0.15 -1.11 119.30 120.87 2jx9 s MET 57 Ca 0.51 -1.04 -0.31 0.00 -1.03 0.00 0.00 55.69 53.82 2jx9 s MET 57 Cb -0.37 -2.14 -0.09 0.00 -1.53 0.00 0.00 34.83 30.71 2jx9 s MET 57 CO 0.45 -0.91 1.69 0.08 -2.03 0.00 0.00 175.02 174.31 2jx9 s VAL 58 N 1.58 2.95 -0.23 5.16 1.01 -1.26 -2.23 120.40 127.38 2jx9 s VAL 58 Ca 0.07 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 2jx9 s VAL 58 Cb -0.17 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 2jx9 s VAL 58 CO -0.20 -0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.96 2jx9 n GLU 59 N 5.70 0.51 -3.77 2.72 -0.58 -0.34 -4.97 120.64 119.91 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 0.40 -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 -6.97 -0.25 -0.13 1.62 0.01 -0.95 -5.02 114.94 103.26 2jx9 s ASN 60 Ca -0.33 0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 2jx9 s ASN 60 Cb 0.11 0.48 0.11 0.00 0.41 0.00 0.00 41.25 42.37 2jx9 s ASN 60 CO 0.42 -0.25 0.93 0.00 -1.51 0.00 0.00 177.10 176.69 2jx9 s ALA 61 N -0.49 -1.89 0.07 0.60 0.00 -1.26 0.16 121.76 118.95 2jx9 s ALA 61 Ca -0.06 1.49 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 2jx9 s ALA 61 Cb -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2jx9 s ALA 61 CO 0.02 -0.35 0.26 1.21 0.00 0.00 0.00 175.76 176.89 2jx9 s ASN 62 N -1.24 -0.03 -0.13 0.00 2.47 -0.86 -3.62 114.94 111.54 2jx9 s ASN 62 Ca -0.03 -0.39 0.01 0.00 0.42 0.00 0.00 52.86 52.86 2jx9 s ASN 62 Cb -0.00 0.35 0.02 0.00 -1.45 0.00 0.00 41.25 40.17 2jx9 s ASN 62 CO 0.02 -0.67 -0.14 -0.47 -3.72 0.00 0.00 177.10 172.12 2jx9 s TYR 63 N -3.16 2.00 0.00 0.43 5.04 -1.25 -2.33 117.35 118.08 2jx9 s TYR 63 Ca -0.01 -1.04 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 2jx9 s TYR 63 Cb 0.01 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.84 2jx9 s TYR 63 CO -0.07 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 173.97 2jx9 n GLY 64 N 4.59 -0.50 3.53 8.97 0.00 -0.15 -3.07 105.19 118.56 2jx9 n GLY 64 Ca -0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.90 0.51 0.00 1.61 3.52 -0.94 0.18 118.95 122.93 2jx9 s ARG 65 Ca 0.00 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 2jx9 s ARG 65 Cb 0.00 0.72 0.00 0.00 -1.56 0.00 0.00 34.95 34.11 2jx9 s ARG 65 CO 0.00 -0.23 0.87 0.25 -0.81 0.00 0.00 175.30 175.37 2jx9 n THR 66 N 5.43 0.74 -3.75 4.11 -2.24 -1.26 -0.20 114.28 117.11 2jx9 n THR 66 Ca -0.11 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 60.83 2jx9 n THR 66 Cb 0.49 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2jx9 n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jx9 s ASP 67 N -0.74 -0.08 0.00 3.42 -1.08 -1.26 -4.74 116.67 112.19 2jx9 s ASP 67 Ca 0.00 -0.40 0.03 0.00 -0.52 0.00 0.00 52.55 51.66 2jx9 s ASP 67 Cb 0.00 0.39 0.06 0.00 -1.46 0.00 0.00 42.92 41.91 2jx9 s ASP 67 CO 0.00 -0.74 0.87 -0.90 0.52 0.00 0.00 175.17 174.91 2jx9 n ASP 68 N 0.05 1.82 -1.13 -0.34 5.75 -1.26 -4.53 116.55 116.91 2jx9 n ASP 68 Ca -0.16 -1.63 0.12 0.00 -0.01 0.00 0.00 54.79 53.10 2jx9 n ASP 68 Cb 0.62 -0.03 0.20 0.00 -1.03 0.00 0.00 41.12 40.88 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 -0.07 2.48 -4.76 0.11 5.02 -1.26 -4.85 118.16 114.83 2jx9 n LYS 69 Ca 0.02 -2.26 -0.33 0.00 -2.02 0.00 0.00 58.31 53.73 2jx9 n LYS 69 Cb 0.20 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.49 3.25 -0.88 -0.18 -1.09 -1.26 -4.70 121.20 114.86 2jx9 s ILE 70 Ca 0.37 -0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2jx9 s ILE 70 Cb 0.22 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 2jx9 s ILE 70 CO 0.31 0.56 0.76 0.00 -1.23 0.00 0.00 174.94 175.34 2jx9 n ASP 72 N -2.35 0.06 -0.54 0.00 5.68 -1.26 -4.85 116.55 113.29 2jx9 n ASP 72 Ca -0.06 -0.49 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 2jx9 n ASP 72 Cb 0.56 -0.97 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 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 10.51 0.00 -1.77 2.12 0.00 -1.26 -5.08 120.51 125.02 2jx9 n ALA 73 Ca 0.60 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.64 2jx9 n ALA 73 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.08 6.07 0.28 0.00 -4.77 -1.26 -4.87 116.67 112.04 2jx9 s ASP 74 Ca 0.00 2.82 -0.01 0.00 -3.30 0.00 0.00 52.55 52.06 2jx9 s ASP 74 Cb 0.00 -2.65 0.45 0.00 -1.09 0.00 0.00 42.92 39.64 2jx9 s ASP 74 CO 0.00 -1.03 1.89 1.55 0.70 0.00 0.00 175.17 178.28 2jx9 h PRO 75 N 2.50 1.09 -0.36 2.11 0.13 -1.98 -0.98 132.00 134.52 2jx9 h PRO 75 Ca -0.50 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.50 2jx9 h PRO 75 Cb 1.26 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2jx9 h PRO 75 CO 0.62 0.72 -0.03 0.74 -0.23 0.00 0.00 178.00 179.82 2jx9 h PHE 76 N 1.13 0.62 -0.00 1.56 0.04 -1.97 0.19 116.94 118.50 2jx9 h PHE 76 Ca 0.42 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2jx9 h PHE 76 Cb 0.19 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.17 2jx9 h PHE 76 CO -0.00 0.62 -0.21 1.04 -0.60 0.00 0.00 178.31 179.16 2jx9 n GLN 77 N -4.24 0.39 0.00 1.51 6.02 -0.77 -3.39 117.38 116.90 2jx9 n GLN 77 Ca 0.02 -0.16 0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2jx9 n GLN 77 Cb 0.28 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.16 1.46 0.02 -1.09 2.81 -0.44 -0.97 117.12 117.75 2jx9 n MET 78 Ca 0.10 -1.04 -0.12 0.00 -1.81 0.00 0.00 57.70 54.84 2jx9 n MET 78 Cb 0.31 -1.24 -0.08 0.00 -0.71 0.00 0.00 33.22 31.50 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 2.18 0.01 -6.48 0.03 4.39 -0.69 -3.41 114.58 110.60 2jx9 h GLU 79 Ca 0.00 -0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2jx9 h GLU 79 Cb 0.54 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 2jx9 h GLU 79 CO 0.00 0.15 0.94 1.21 -1.16 0.00 0.00 179.01 180.15 2jx9 s ASN 80 N -5.34 6.68 -0.41 1.42 2.47 -1.26 -4.87 114.94 113.62 2jx9 s ASN 80 Ca -0.14 0.88 0.05 0.00 0.42 0.00 0.00 52.86 54.08 2jx9 s ASN 80 Cb 0.05 -2.54 0.60 0.00 -1.45 0.00 0.00 41.25 37.90 2jx9 s ASN 80 CO 0.67 -1.13 1.77 1.33 -3.72 0.00 0.00 177.10 176.01 2jx9 n VAL 81 N 6.45 3.01 -3.43 -5.21 0.24 -1.26 -4.75 118.33 113.38 2jx9 n VAL 81 Ca 0.13 -2.30 -0.26 0.00 -2.04 0.00 0.00 64.34 59.88 2jx9 n VAL 81 Cb 0.48 -0.48 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 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 -3.32 0.58 -0.12 7.34 -1.52 -0.99 -4.09 119.66 117.54 2jx9 s GLN 82 Ca 0.53 -1.24 -0.04 0.00 -1.95 0.00 0.00 55.36 52.66 2jx9 s GLN 82 Cb 0.46 -1.15 0.06 0.00 -0.22 0.00 0.00 33.01 32.16 2jx9 s GLN 82 CO 0.06 -1.21 0.24 0.00 -0.25 0.00 0.00 175.29 174.13 2jx9 s TYR 84 N 2.38 1.09 -0.38 0.00 1.51 -1.26 -2.20 117.35 118.49 2jx9 s TYR 84 Ca 0.02 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2jx9 s TYR 84 Cb -0.12 -0.61 0.16 0.00 -0.11 0.00 0.00 41.96 41.28 2jx9 s TYR 84 CO -0.08 0.03 0.37 -1.17 -1.11 0.00 0.00 175.55 173.59 2jx9 s LEU 85 N -1.93 0.15 0.22 -1.29 2.96 -1.18 -4.87 118.68 112.74 2jx9 s LEU 85 Ca -0.01 -1.84 -0.11 0.00 -0.22 0.00 0.00 54.13 51.96 2jx9 s LEU 85 Cb -0.08 0.42 0.31 0.00 0.50 0.00 0.00 46.19 47.34 2jx9 s LEU 85 CO 0.01 -0.24 1.65 -0.65 -1.32 0.00 0.00 176.35 175.80 2jx9 h PRO 86 N 6.77 0.09 -0.80 0.98 0.11 -1.92 -1.11 132.00 136.12 2jx9 h PRO 86 Ca 0.08 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.41 2jx9 h PRO 86 Cb 1.03 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2jx9 h PRO 86 CO 0.21 0.06 0.59 -0.44 -0.21 0.00 0.00 178.00 178.21 2jx9 h ASP 87 N 0.09 0.00 -0.82 -2.05 3.32 -1.96 0.16 116.42 115.17 2jx9 h ASP 87 Ca 0.33 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.61 2jx9 h ASP 87 Cb 0.55 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2jx9 h ASP 87 CO -0.57 0.00 0.58 0.00 -1.72 0.00 0.00 179.24 177.52 2jx9 h ALA 88 N 1.56 2.63 -0.57 3.45 0.00 -1.51 0.17 119.26 124.99 2jx9 h ALA 88 Ca 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2jx9 h ALA 88 Cb 1.56 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2jx9 h ALA 88 CO -0.00 -0.87 0.27 0.35 0.00 0.00 0.00 179.25 179.00 2jx9 h PHE 89 N 0.09 0.83 -0.56 0.00 3.57 -0.73 -2.68 116.94 117.45 2jx9 h PHE 89 Ca 0.40 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.76 2jx9 h PHE 89 Cb 1.44 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 2jx9 h PHE 89 CO -0.00 0.64 -0.02 1.57 -2.23 0.00 0.00 178.31 178.27 2jx9 h LYS 90 N 0.77 0.98 0.25 1.11 2.10 -0.80 -1.25 116.57 119.73 2jx9 h LYS 90 Ca 0.20 -0.30 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 2jx9 h LYS 90 Cb 0.12 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2jx9 h LYS 90 CO -0.02 0.97 -0.12 0.82 -2.00 0.00 0.00 179.45 179.10 2jx9 h ILE 91 N 0.89 0.76 -0.43 0.07 2.04 -1.28 -1.75 117.51 117.81 2jx9 h ILE 91 Ca 0.16 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.89 2jx9 h ILE 91 Cb 0.54 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2jx9 h ILE 91 CO 0.03 0.01 -0.14 0.24 0.00 0.00 0.00 178.15 178.29 2jx9 h MET 92 N -0.35 0.80 -0.24 2.37 2.86 -1.45 -1.89 114.93 117.04 2jx9 h MET 92 Ca -0.03 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 2jx9 h MET 92 Cb 0.27 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2jx9 h MET 92 CO 0.06 0.90 0.13 0.77 1.06 0.00 0.00 176.91 179.82 2jx9 h SER 93 N 0.72 0.30 0.11 1.22 0.02 -1.10 -0.29 113.55 114.53 2jx9 h SER 93 Ca 0.12 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 2jx9 h SER 93 Cb 0.63 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2jx9 h SER 93 CO 0.04 0.31 -0.45 1.56 -1.14 0.00 0.00 176.83 177.15 2jx9 h GLN 94 N 0.27 0.41 -0.01 3.45 7.50 -1.27 0.17 115.11 125.63 2jx9 h GLN 94 Ca 0.08 -0.22 -0.19 0.00 0.50 0.00 0.00 58.65 58.83 2jx9 h GLN 94 Cb 0.08 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 2jx9 h GLN 94 CO -0.01 0.78 -0.82 0.00 -1.50 0.00 0.00 178.83 177.28 2jx9 h ARG 95 N 0.34 0.18 0.00 1.46 3.08 -1.16 -3.37 114.38 114.91 2jx9 h ARG 95 Ca 0.02 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2jx9 h ARG 95 Cb 0.92 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2jx9 h ARG 95 CO 0.08 0.90 -1.07 0.00 -1.07 0.00 0.00 179.97 178.81 2jx9 n ASN 97 N -1.60 3.55 -0.31 0.00 3.02 0.59 -1.75 115.26 118.75 2jx9 n ASN 97 Ca -0.01 1.13 -0.04 0.00 -0.03 0.00 0.00 54.58 55.63 2jx9 n ASN 97 Cb 0.19 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 37.80 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 2.53 -4.76 -4.51 6.41 4.13 -0.27 -4.97 115.26 113.82 2jx9 n ASN 98 Ca 0.11 0.10 -0.30 0.00 1.68 0.00 0.00 54.58 56.17 2jx9 n ASN 98 Cb 0.35 -2.61 -0.11 0.00 -1.54 0.00 0.00 39.78 35.86 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 -1.81 1.98 0.26 3.52 0.52 -0.72 -4.81 118.95 117.89 2jx9 s ARG 99 Ca 0.00 -1.06 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 2jx9 s ARG 99 Cb 0.00 -2.20 0.34 0.00 0.52 0.00 0.00 34.95 33.61 2jx9 s ARG 99 CO 0.00 0.51 1.61 1.15 0.02 0.00 0.00 175.30 178.59 2jx9 h THR 100 N 3.61 1.39 -3.34 0.02 2.02 -1.85 0.86 112.91 115.61 2jx9 h THR 100 Ca -0.49 -1.93 -0.07 0.00 0.77 0.00 0.00 66.41 64.69 2jx9 h THR 100 Cb 1.16 1.99 -0.15 0.00 -1.74 0.00 0.00 68.15 69.42 2jx9 h THR 100 CO 0.48 0.56 -0.16 0.00 0.37 0.00 0.00 175.52 176.77 2jx9 s GLN 101 N -3.78 0.94 -0.16 6.66 1.03 -1.26 -0.26 119.66 122.83 2jx9 s GLN 101 Ca -0.03 -0.61 -0.21 0.00 0.04 0.00 0.00 55.36 54.55 2jx9 s GLN 101 Cb 0.13 0.41 0.05 0.00 0.03 0.00 0.00 33.01 33.63 2jx9 s GLN 101 CO 0.78 -0.33 0.55 0.00 -2.54 0.00 0.00 175.29 173.75 2jx9 s VAL 103 N -0.17 1.89 0.02 0.00 1.01 -1.26 -1.32 120.40 120.57 2jx9 s VAL 103 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2jx9 s VAL 103 Cb -0.03 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2jx9 s VAL 103 CO 0.03 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.91 2jx9 s VAL 104 N 0.87 0.30 -0.30 2.92 1.01 -0.67 -4.94 120.40 119.60 2jx9 s VAL 104 Ca -0.07 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2jx9 s VAL 104 Cb -0.15 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2jx9 s VAL 104 CO -0.02 -0.20 1.08 -0.69 0.00 0.00 0.00 175.10 175.27 2jx9 s VAL 105 N -0.80 4.51 0.00 2.92 1.01 -1.26 -0.18 120.40 126.60 2jx9 s VAL 105 Ca -0.06 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2jx9 s VAL 105 Cb -0.06 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2jx9 s VAL 105 CO -0.00 -0.42 0.83 0.00 0.00 0.00 0.00 175.10 175.50 2jx9 n ALA 106 N 6.81 2.49 0.00 5.51 0.00 -0.28 -4.59 120.51 130.45 2jx9 n ALA 106 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jx9 n ALA 106 Cb 0.47 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.41 -0.12 4.17 0.00 0.00 -1.26 -2.35 105.19 107.02 2jx9 n GLY 107 Ca 0.00 0.55 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 0.07 113.62 116.92 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 0.30 0.00 -0.75 0.00 0.00 64.21 63.76 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 -2.38 0.00 0.07 -3.46 8.00 -1.26 -1.76 116.55 115.76 2jx9 n ASP 109 Ca 0.00 -0.29 0.13 0.00 0.71 0.00 0.00 54.79 55.34 2jx9 n ASP 109 Cb 0.00 -0.02 0.31 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.02 2.62 -3.73 2.24 0.00 -0.39 -4.77 120.51 115.47 2jx9 n ALA 110 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2jx9 n ALA 110 Cb 0.04 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.02 2jx9 n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jx9 s PHE 111 N -3.12 -0.16 0.00 0.00 0.08 0.11 -4.89 117.98 110.00 2jx9 s PHE 111 Ca 0.09 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.65 2jx9 s PHE 111 Cb 0.13 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.45 2jx9 s PHE 111 CO 0.65 -0.19 0.00 -2.30 -0.10 0.00 0.00 175.22 173.28 2jx9 n PRO 112 N 4.50 3.08 -3.25 0.24 -0.02 -1.26 -4.55 135.00 133.74 2jx9 n PRO 112 Ca -0.21 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.07 2jx9 n PRO 112 Cb 0.51 0.00 -0.07 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 -2.52 0.83 0.00 2.55 -1.08 -1.26 -4.93 116.67 110.26 2jx9 s ASP 113 Ca 0.00 -2.46 0.27 0.00 -0.52 0.00 0.00 52.55 49.84 2jx9 s ASP 113 Cb 0.00 0.26 1.52 0.00 -1.46 0.00 0.00 42.92 43.24 2jx9 s ASP 113 CO 0.00 -0.17 1.95 -0.81 0.52 0.00 0.00 175.17 176.66 2jx9 n PRO 114 N 3.19 0.67 -2.71 4.34 -0.04 -1.26 -4.25 135.00 134.93 2jx9 n PRO 114 Ca 0.23 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.64 2jx9 n PRO 114 Cb 0.48 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.42 0.67 -0.76 0.00 -0.02 -1.26 -2.15 135.00 132.90 2jx9 n PRO 116 Ca 0.05 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2jx9 n PRO 116 Cb 0.67 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2jx9 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jx9 n GLY 117 N 1.36 1.11 3.43 -1.23 0.00 -1.26 -4.99 105.19 103.61 2jx9 n GLY 117 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2jx9 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jx9 s THR 118 N -3.33 2.57 -0.33 2.61 2.01 -0.91 -4.46 115.64 113.79 2jx9 s THR 118 Ca 0.00 -1.39 -0.25 0.00 0.31 0.00 0.00 61.69 60.36 2jx9 s THR 118 Cb 0.00 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.42 2jx9 s THR 118 CO 0.00 0.26 0.87 -0.47 -0.69 0.00 0.00 174.62 174.59 2jx9 s TYR 119 N -0.96 3.15 0.00 4.92 5.04 -0.15 -4.97 117.35 124.37 2jx9 s TYR 119 Ca 0.15 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 2jx9 s TYR 119 Cb -0.10 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.76 2jx9 s TYR 119 CO 0.06 -0.70 0.00 1.63 -1.34 0.00 0.00 175.55 175.20 2jx9 n LYS 120 N 6.51 2.21 -3.86 4.97 5.02 -1.26 -4.77 118.16 126.98 2jx9 n LYS 120 Ca 0.06 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 0.01 0.00 -0.02 0.00 0.00 35.03 35.50 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 1.23 0.01 -0.05 2.13 -0.85 0.46 -2.27 117.35 118.01 2jx9 s TYR 121 Ca 0.00 -0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2jx9 s TYR 121 Cb 0.00 0.59 0.03 0.00 0.38 0.00 0.00 41.96 42.95 2jx9 s TYR 121 CO 0.00 -0.43 -0.01 -1.17 -1.52 0.00 0.00 175.55 172.41 2jx9 s LEU 122 N -3.47 0.99 -0.13 -3.49 2.96 -0.89 -0.98 118.68 113.67 2jx9 s LEU 122 Ca 0.23 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2jx9 s LEU 122 Cb 0.00 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.31 2jx9 s LEU 122 CO -0.00 -0.12 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.00 2jx9 s GLU 123 N 1.36 3.11 -0.08 1.98 2.12 -0.98 -1.75 118.70 124.45 2jx9 s GLU 123 Ca -0.04 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.46 2jx9 s GLU 123 Cb -0.13 -2.45 0.02 0.00 0.26 0.00 0.00 34.13 31.83 2jx9 s GLU 123 CO -0.02 0.08 -0.06 0.08 -0.54 0.00 0.00 175.26 174.79 2jx9 s VAL 124 N 0.61 0.83 -0.15 3.70 1.01 0.33 -2.02 120.40 124.71 2jx9 s VAL 124 Ca -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2jx9 s VAL 124 Cb -0.16 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2jx9 s VAL 124 CO 0.03 0.32 -0.05 -1.10 0.00 0.00 0.00 175.10 174.29 2jx9 s GLN 125 N 1.41 3.61 0.25 2.72 -0.21 0.12 -1.42 119.66 126.14 2jx9 s GLN 125 Ca -0.02 -0.55 -0.14 0.00 0.02 0.00 0.00 55.36 54.67 2jx9 s GLN 125 Cb -0.13 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.01 2jx9 s GLN 125 CO -0.04 0.22 0.51 1.52 -2.12 0.00 0.00 175.29 175.38 2jx9 s TYR 126 N 0.39 0.27 0.23 0.91 -0.85 -0.46 -1.20 117.35 116.63 2jx9 s TYR 126 Ca -0.05 -0.64 0.10 0.00 -0.52 0.00 0.00 57.07 55.96 2jx9 s TYR 126 Cb -0.15 0.26 -0.05 0.00 0.38 0.00 0.00 41.96 42.41 2jx9 s TYR 126 CO 0.03 -1.01 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.36 2jx9 s ASP 127 N -3.00 3.10 -0.31 -0.18 1.01 -0.95 -0.59 116.67 115.76 2jx9 s ASP 127 Ca 0.20 -0.98 -0.05 0.00 0.71 0.00 0.00 52.55 52.44 2jx9 s ASP 127 Cb -0.01 -0.22 0.03 0.00 1.01 0.00 0.00 42.92 43.73 2jx9 s ASP 127 CO 0.08 -0.03 0.05 0.00 0.21 0.00 0.00 175.17 175.48 2jx9 s VAL 129 N 1.38 3.46 0.52 0.00 -7.23 -0.98 -4.79 120.40 112.76 2jx9 s VAL 129 Ca -0.01 -1.51 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 2jx9 s VAL 129 Cb -0.19 -2.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.97 2jx9 s VAL 129 CO 0.01 -0.09 1.28 -2.65 -0.31 0.00 0.00 175.10 173.33 2jx9 n PRO 130 N 0.01 1.63 -2.47 4.82 -0.02 -1.26 -0.07 135.00 137.64 2jx9 n PRO 130 Ca -0.10 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 2jx9 n PRO 130 Cb 0.55 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2jx9 n PRO 130 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jx9 s TYR 131 N -1.30 3.55 0.10 6.00 5.04 -1.18 -4.74 117.35 124.82 2jx9 s TYR 131 Ca 0.70 1.58 -0.09 0.00 -2.44 0.00 0.00 57.07 56.82 2jx9 s TYR 131 Cb -0.44 -3.31 -0.06 0.00 0.35 0.00 0.00 41.96 38.50 2jx9 s TYR 131 CO 0.51 -0.73 0.41 0.15 -1.34 0.00 0.00 175.55 174.55 2jx9 s LYS 132 N -0.60 3.75 -0.01 4.97 1.02 -1.26 -5.07 119.74 122.54 2jx9 s LYS 132 Ca 0.49 0.15 -0.23 0.00 0.02 0.00 0.00 55.97 56.40 2jx9 s LYS 132 Cb -0.31 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 2jx9 s LYS 132 CO 0.37 0.53 0.69 0.08 -0.92 0.00 0.00 175.35 176.09 2jx9 s VAL 133 N -1.47 4.91 0.00 3.17 1.01 -1.26 -5.25 120.40 121.51 2jx9 s VAL 133 Ca 0.35 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2jx9 s VAL 133 Cb -0.13 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2jx9 s VAL 133 CO 0.19 0.34 0.00 1.21 0.00 0.00 0.00 175.10 176.84