#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 1.37 -4.55 0.99 7.94 -1.26 -5.12 117.00 116.37 2jx9 n LEU 30 Ca 0.00 -4.87 -0.40 0.00 -1.11 0.00 0.00 56.01 49.63 2jx9 n LEU 30 Cb 0.00 0.01 0.02 0.00 0.53 0.00 0.00 43.42 43.99 2jx9 n LEU 30 CO 0.00 1.93 0.37 -2.65 -1.11 0.00 0.00 177.39 175.92 2jx9 n PRO 31 N 1.87 0.95 0.00 1.96 -0.02 -1.26 -4.87 135.00 133.63 2jx9 n PRO 31 Ca 0.25 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2jx9 n PRO 31 Cb 0.45 -1.87 0.55 0.00 -0.02 0.00 0.00 33.50 32.60 2jx9 n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jx9 n PHE 32 N -0.96 0.00 0.00 6.00 3.72 -1.26 -4.90 117.46 120.06 2jx9 n PHE 32 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2jx9 n PHE 32 Cb 0.42 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 1.48 0.76 3.60 1.37 0.00 -1.26 -4.64 105.19 106.50 2jx9 n GLY 33 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 2jx9 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jx9 s LEU 34 N 0.00 -0.93 0.48 0.99 1.43 -1.26 -5.13 118.68 114.25 2jx9 s LEU 34 Ca 0.00 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2jx9 s LEU 34 Cb 0.00 2.14 0.00 0.00 0.03 0.00 0.00 46.19 48.36 2jx9 s LEU 34 CO 0.00 -0.19 0.00 0.23 0.23 0.00 0.00 176.35 176.62 2jx9 n MET 35 N 4.92 -3.38 -3.44 1.70 2.81 -1.26 -4.93 117.12 113.53 2jx9 n MET 35 Ca -0.14 2.62 -0.31 0.00 -1.81 0.00 0.00 57.70 58.05 2jx9 n MET 35 Cb 0.53 -3.24 -0.05 0.00 -0.71 0.00 0.00 33.22 29.75 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 -5.06 3.75 -0.08 0.03 0.52 -0.88 -4.76 118.95 112.47 2jx9 s ARG 36 Ca 0.00 0.18 -0.05 0.00 -0.52 0.00 0.00 55.73 55.34 2jx9 s ARG 36 Cb 0.00 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.83 2jx9 s ARG 36 CO 0.00 0.32 0.20 0.50 0.02 0.00 0.00 175.30 176.34 2jx9 s ARG 37 N -2.91 0.17 0.05 3.54 3.52 -1.26 -1.86 118.95 120.20 2jx9 s ARG 37 Ca 0.46 0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.53 2jx9 s ARG 37 Cb -0.11 -0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 2jx9 s ARG 37 CO 0.23 -0.12 -0.21 -1.21 -0.81 0.00 0.00 175.30 173.18 2jx9 s GLU 38 N 0.90 1.39 0.00 5.12 0.41 -0.77 -5.00 118.70 120.75 2jx9 s GLU 38 Ca -0.07 -0.97 0.01 0.00 -0.41 0.00 0.00 54.97 53.53 2jx9 s GLU 38 Cb -0.08 -1.52 -0.00 0.00 -1.78 0.00 0.00 34.13 30.74 2jx9 s GLU 38 CO -0.05 0.39 -0.04 -1.17 -0.49 0.00 0.00 175.26 173.90 2jx9 s LEU 39 N -1.25 2.03 -0.00 1.80 0.20 -1.26 -1.83 118.68 118.37 2jx9 s LEU 39 Ca 0.08 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.78 2jx9 s LEU 39 Cb -0.09 -0.17 0.00 0.00 -0.43 0.00 0.00 46.19 45.50 2jx9 s LEU 39 CO 0.02 0.02 -0.00 0.00 -0.29 0.00 0.00 176.35 176.09 2jx9 s ALA 40 N -0.22 0.02 0.26 5.97 0.00 -0.95 -4.99 121.76 121.84 2jx9 s ALA 40 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.65 2jx9 s ALA 40 Cb -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 2jx9 s ALA 40 CO -0.00 0.00 1.40 0.00 0.00 0.00 0.00 175.76 177.17 2jx9 n GLU 42 N 2.12 0.85 0.00 0.00 2.13 -0.95 -1.64 120.64 123.15 2jx9 n GLU 42 Ca 0.06 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.18 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 1.95 1.19 3.59 8.31 0.00 -1.17 -4.93 105.19 114.13 2jx9 n GLY 43 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.29 2.78 0.56 1.61 2.02 -0.65 -4.83 117.35 116.55 2jx9 s TYR 44 Ca 0.00 -0.13 -0.19 0.00 -0.37 0.00 0.00 57.07 56.38 2jx9 s TYR 44 Cb 0.00 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2jx9 s TYR 44 CO 0.00 0.42 1.14 -1.25 -1.57 0.00 0.00 175.55 174.29 2jx9 s PRO 45 N -2.05 3.26 0.09 -1.71 0.04 -1.26 -2.35 135.00 131.01 2jx9 s PRO 45 Ca 0.21 1.64 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2jx9 s PRO 45 Cb -0.11 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2jx9 s PRO 45 CO 0.13 -0.93 -0.18 -1.50 0.04 0.00 0.00 177.00 174.55 2jx9 s ILE 46 N -1.77 2.80 -0.09 0.56 2.07 0.48 -4.86 121.20 120.38 2jx9 s ILE 46 Ca 0.73 -1.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.62 2jx9 s ILE 46 Cb -0.25 -2.24 0.01 0.00 0.13 0.00 0.00 42.46 40.11 2jx9 s ILE 46 CO 0.29 0.20 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.65 2jx9 s GLU 47 N -1.85 2.24 -0.05 3.50 2.12 -1.26 -2.23 118.70 121.16 2jx9 s GLU 47 Ca 0.16 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.96 2jx9 s GLU 47 Cb -0.11 -1.82 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 2jx9 s GLU 47 CO 0.08 0.02 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.13 2jx9 s LEU 48 N 0.74 2.49 -0.12 2.70 1.43 0.38 -4.96 118.68 121.34 2jx9 s LEU 48 Ca -0.12 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 2jx9 s LEU 48 Cb -0.16 -1.49 0.04 0.00 0.03 0.00 0.00 46.19 44.61 2jx9 s LEU 48 CO 0.03 0.31 0.30 -0.13 0.23 0.00 0.00 176.35 177.08 2jx9 s ARG 49 N -0.51 0.31 -0.04 1.70 0.52 -1.26 -0.56 118.95 119.10 2jx9 s ARG 49 Ca 0.07 0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.74 2jx9 s ARG 49 Cb -0.11 0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 2jx9 s ARG 49 CO 0.01 -0.10 0.16 0.00 0.02 0.00 0.00 175.30 175.40 2jx9 s PRO 51 N -1.64 2.63 3.81 0.00 0.04 -1.26 -4.72 135.00 133.86 2jx9 s PRO 51 Ca 0.23 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2jx9 s PRO 51 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2jx9 s PRO 51 CO 0.14 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2jx9 n GLY 52 N -1.42 2.98 1.30 0.56 0.00 -1.26 -1.52 105.19 105.83 2jx9 n GLY 52 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2jx9 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jx9 n SER 53 N 2.60 3.77 -4.84 1.61 3.41 -1.26 -5.00 113.62 113.91 2jx9 n SER 53 Ca 0.00 -3.29 -0.30 0.00 -0.26 0.00 0.00 58.87 55.02 2jx9 n SER 53 Cb 0.00 -0.63 0.08 0.00 -0.26 0.00 0.00 64.21 63.39 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 -1.84 4.81 0.07 4.04 1.01 -0.57 -3.06 116.67 121.13 2jx9 s ASP 54 Ca 0.47 1.17 0.07 0.00 0.71 0.00 0.00 52.55 54.97 2jx9 s ASP 54 Cb 0.39 -1.90 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 2jx9 s ASP 54 CO 0.08 -1.75 -0.18 0.68 0.21 0.00 0.00 175.17 174.21 2jx9 s VAL 55 N -3.28 1.43 0.23 -1.27 -7.23 0.31 -4.43 120.40 106.18 2jx9 s VAL 55 Ca 0.60 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 2jx9 s VAL 55 Cb -0.13 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.42 2jx9 s VAL 55 CO 0.53 -0.01 1.27 -0.63 -0.31 0.00 0.00 175.10 175.95 2jx9 s ILE 56 N -1.02 3.17 -0.24 -0.62 1.01 0.42 -2.50 121.20 121.43 2jx9 s ILE 56 Ca 0.04 1.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.70 2jx9 s ILE 56 Cb -0.09 -3.66 0.08 0.00 0.01 0.00 0.00 42.46 38.80 2jx9 s ILE 56 CO 0.03 0.19 0.06 0.00 0.00 0.00 0.00 174.94 175.21 2jx9 s MET 57 N -0.64 0.62 0.06 2.79 0.23 -0.67 -1.14 119.30 120.56 2jx9 s MET 57 Ca 0.53 -0.62 -0.31 0.00 -1.03 0.00 0.00 55.69 54.27 2jx9 s MET 57 Cb -0.36 -1.97 -0.08 0.00 -1.53 0.00 0.00 34.83 30.89 2jx9 s MET 57 CO 0.41 -0.78 1.68 0.08 -2.03 0.00 0.00 175.02 174.38 2jx9 s VAL 58 N 1.82 3.04 -0.21 5.16 1.01 -1.26 -2.09 120.40 127.87 2jx9 s VAL 58 Ca 0.03 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.34 2jx9 s VAL 58 Cb -0.17 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2jx9 s VAL 58 CO -0.16 -0.01 -0.30 -0.62 0.00 0.00 0.00 175.10 174.01 2jx9 n GLU 59 N 5.79 0.49 -3.79 2.72 -0.58 -0.59 -4.97 120.64 119.70 2jx9 n GLU 59 Ca 0.16 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2jx9 n GLU 59 Cb 0.41 -1.33 -0.11 0.00 -0.57 0.00 0.00 31.44 29.84 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 -6.76 -0.20 -0.05 1.62 0.01 -1.03 -5.04 114.94 103.49 2jx9 s ASN 60 Ca -0.31 0.32 -0.29 0.00 -0.71 0.00 0.00 52.86 51.87 2jx9 s ASN 60 Cb 0.10 0.43 0.10 0.00 0.41 0.00 0.00 41.25 42.29 2jx9 s ASN 60 CO 0.40 -0.20 0.85 0.00 -1.51 0.00 0.00 177.10 176.64 2jx9 s ALA 61 N -0.38 -1.82 -0.06 0.60 0.00 -1.26 -0.67 121.76 118.16 2jx9 s ALA 61 Ca -0.05 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 2jx9 s ALA 61 Cb -0.03 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.11 2jx9 s ALA 61 CO 0.01 -0.50 0.34 1.21 0.00 0.00 0.00 175.76 176.82 2jx9 s ASN 62 N -1.77 -0.27 -0.21 0.00 2.47 -0.73 -3.85 114.94 110.58 2jx9 s ASN 62 Ca -0.01 0.36 -0.01 0.00 0.42 0.00 0.00 52.86 53.62 2jx9 s ASN 62 Cb -0.01 0.49 0.02 0.00 -1.45 0.00 0.00 41.25 40.30 2jx9 s ASN 62 CO -0.02 -0.32 -0.12 -0.47 -3.72 0.00 0.00 177.10 172.45 2jx9 s TYR 63 N -0.72 2.92 0.00 0.43 5.04 -1.26 -2.28 117.35 121.49 2jx9 s TYR 63 Ca -0.08 -1.49 0.00 0.00 -2.44 0.00 0.00 57.07 53.06 2jx9 s TYR 63 Cb -0.04 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.27 2jx9 s TYR 63 CO 0.03 -0.73 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 2jx9 n GLY 64 N 4.67 -0.52 3.41 8.97 0.00 -0.55 -3.15 105.19 118.01 2jx9 n GLY 64 Ca -0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.72 0.51 0.00 1.61 3.52 -0.86 0.28 118.95 123.29 2jx9 s ARG 65 Ca 0.00 1.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 2jx9 s ARG 65 Cb 0.00 0.60 0.00 0.00 -1.56 0.00 0.00 34.95 33.99 2jx9 s ARG 65 CO 0.00 -0.33 0.92 0.25 -0.81 0.00 0.00 175.30 175.32 2jx9 n THR 66 N 5.43 0.84 -3.66 4.11 -2.24 -1.26 -0.62 114.28 116.88 2jx9 n THR 66 Ca -0.08 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2jx9 n THR 66 Cb 0.50 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.00 0.00 3.42 2.03 -1.26 -4.77 116.55 115.55 2jx9 n ASP 67 Ca 0.00 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.41 2jx9 n ASP 67 Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.26 0.00 -1.19 1.67 5.68 -1.26 -4.47 116.55 114.71 2jx9 n ASP 68 Ca 0.00 -1.00 0.11 0.00 -0.50 0.00 0.00 54.79 53.41 2jx9 n ASP 68 Cb 0.00 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.24 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 2.60 -4.66 0.11 5.02 -1.26 -4.91 118.16 115.05 2jx9 n LYS 69 Ca 0.00 -2.43 -0.33 0.00 -2.02 0.00 0.00 58.31 53.53 2jx9 n LYS 69 Cb 0.25 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.20 3.50 -0.47 -0.18 -1.09 -1.26 -4.77 121.20 115.74 2jx9 s ILE 70 Ca 0.42 -0.54 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 2jx9 s ILE 70 Cb 0.23 -2.45 0.03 0.00 -1.58 0.00 0.00 42.46 38.70 2jx9 s ILE 70 CO 0.31 0.57 0.63 0.00 -1.23 0.00 0.00 174.94 175.22 2jx9 n ASP 72 N -0.45 3.37 -0.44 0.00 5.68 -1.26 -4.95 116.55 118.50 2jx9 n ASP 72 Ca 0.02 1.02 0.00 0.00 -0.50 0.00 0.00 54.79 55.33 2jx9 n ASP 72 Cb 0.56 -1.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.12 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 5.12 0.00 -1.77 2.12 0.00 -1.26 -5.14 120.51 119.59 2jx9 n ALA 73 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.24 2jx9 n ALA 73 Cb 0.30 0.00 0.00 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 0.27 6.18 0.35 0.00 -4.77 -1.26 -4.86 116.67 112.58 2jx9 s ASP 74 Ca 0.00 2.70 0.03 0.00 -3.30 0.00 0.00 52.55 51.97 2jx9 s ASP 74 Cb 0.00 -2.64 0.64 0.00 -1.09 0.00 0.00 42.92 39.83 2jx9 s ASP 74 CO 0.00 -0.94 1.98 1.55 0.70 0.00 0.00 175.17 178.46 2jx9 h PRO 75 N 2.54 0.75 -0.51 2.11 0.13 -2.01 -0.90 132.00 134.10 2jx9 h PRO 75 Ca -0.50 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.53 2jx9 h PRO 75 Cb 1.25 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2jx9 h PRO 75 CO 0.62 0.54 0.18 0.74 -0.23 0.00 0.00 178.00 179.85 2jx9 h PHE 76 N 0.76 0.76 0.00 1.56 0.04 -1.96 0.97 116.94 119.07 2jx9 h PHE 76 Ca 0.20 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.92 2jx9 h PHE 76 Cb 0.01 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 37.93 2jx9 h PHE 76 CO 0.00 0.61 -0.45 1.04 -0.60 0.00 0.00 178.31 178.92 2jx9 n GLN 77 N -4.32 0.24 0.00 1.51 6.02 -0.93 -3.66 117.38 116.24 2jx9 n GLN 77 Ca 0.04 0.10 0.08 0.00 -0.01 0.00 0.00 57.00 57.21 2jx9 n GLN 77 Cb 0.18 -1.68 0.03 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.05 1.52 -0.12 -1.09 2.81 -0.39 0.02 117.12 117.82 2jx9 n MET 78 Ca 0.04 -1.11 -0.10 0.00 -1.81 0.00 0.00 57.70 54.72 2jx9 n MET 78 Cb 0.42 -1.28 -0.02 0.00 -0.71 0.00 0.00 33.22 31.63 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 2.41 0.58 -6.07 0.03 5.08 0.86 -3.43 114.58 114.06 2jx9 h GLU 79 Ca 0.00 -0.17 -0.58 0.00 -1.00 0.00 0.00 59.36 57.61 2jx9 h GLU 79 Cb 0.60 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2jx9 h GLU 79 CO 0.00 0.68 0.70 1.21 -1.00 0.00 0.00 179.01 180.60 2jx9 s ASN 80 N -6.03 7.08 -0.39 1.42 2.47 -1.26 -4.93 114.94 113.30 2jx9 s ASN 80 Ca -0.13 1.35 0.05 0.00 0.42 0.00 0.00 52.86 54.55 2jx9 s ASN 80 Cb 0.09 -2.53 0.51 0.00 -1.45 0.00 0.00 41.25 37.87 2jx9 s ASN 80 CO 0.77 -0.60 1.59 1.33 -3.72 0.00 0.00 177.10 176.46 2jx9 n VAL 81 N 5.16 2.86 -3.47 -5.21 0.24 -1.26 -4.77 118.33 111.87 2jx9 n VAL 81 Ca 0.10 -2.99 -0.29 0.00 -2.04 0.00 0.00 64.34 59.12 2jx9 n VAL 81 Cb 0.47 -0.68 -0.12 0.00 -1.47 0.00 0.00 33.84 32.04 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 -3.45 0.56 -0.21 7.34 -1.52 -0.83 -4.06 119.66 117.50 2jx9 s GLN 82 Ca 0.52 -1.34 -0.07 0.00 -1.95 0.00 0.00 55.36 52.52 2jx9 s GLN 82 Cb 0.44 -1.33 0.10 0.00 -0.22 0.00 0.00 33.01 32.00 2jx9 s GLN 82 CO 0.02 -1.21 0.43 0.00 -0.25 0.00 0.00 175.29 174.28 2jx9 s TYR 84 N 2.63 1.10 -0.32 0.00 1.51 -1.26 -2.02 117.35 118.99 2jx9 s TYR 84 Ca -0.01 -0.60 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2jx9 s TYR 84 Cb -0.12 -0.60 0.13 0.00 -0.11 0.00 0.00 41.96 41.26 2jx9 s TYR 84 CO -0.13 0.02 0.26 -1.17 -1.11 0.00 0.00 175.55 173.41 2jx9 s LEU 85 N -2.27 0.21 0.25 -1.29 2.96 -1.19 -4.84 118.68 112.50 2jx9 s LEU 85 Ca 0.03 -1.32 -0.04 0.00 -0.22 0.00 0.00 54.13 52.58 2jx9 s LEU 85 Cb -0.05 0.14 0.46 0.00 0.50 0.00 0.00 46.19 47.25 2jx9 s LEU 85 CO 0.01 -0.36 1.74 -0.65 -1.32 0.00 0.00 176.35 175.76 2jx9 h PRO 86 N 7.82 0.46 -0.03 0.98 0.11 -1.91 -0.44 132.00 138.99 2jx9 h PRO 86 Ca -0.08 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.02 2jx9 h PRO 86 Cb 1.04 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 2jx9 h PRO 86 CO 0.32 0.31 0.10 -0.44 -0.21 0.00 0.00 178.00 178.08 2jx9 h ASP 87 N 0.48 0.00 -0.77 -2.05 3.32 -1.96 -1.50 116.42 113.94 2jx9 h ASP 87 Ca 0.42 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.61 2jx9 h ASP 87 Cb 0.62 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 2jx9 h ASP 87 CO -0.39 0.00 0.51 0.00 -1.72 0.00 0.00 179.24 177.64 2jx9 h ALA 88 N 1.82 2.03 -0.27 3.45 0.00 -1.37 -1.10 119.26 123.82 2jx9 h ALA 88 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jx9 h ALA 88 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jx9 h ALA 88 CO -0.00 -0.24 0.09 0.35 0.00 0.00 0.00 179.25 179.45 2jx9 h PHE 89 N 0.49 0.43 -0.57 0.00 3.57 -1.37 -2.71 116.94 116.78 2jx9 h PHE 89 Ca 0.38 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 2jx9 h PHE 89 Cb 0.78 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2jx9 h PHE 89 CO -0.00 0.47 -0.05 1.57 -2.23 0.00 0.00 178.31 178.06 2jx9 h LYS 90 N 0.28 1.04 -0.37 1.11 2.10 -1.39 -1.21 116.57 118.14 2jx9 h LYS 90 Ca 0.09 -0.36 0.01 0.00 -2.00 0.00 0.00 60.65 58.39 2jx9 h LYS 90 Cb 0.24 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 2jx9 h LYS 90 CO -0.00 1.05 0.23 0.82 -2.00 0.00 0.00 179.45 179.55 2jx9 h ILE 91 N 0.94 1.07 -0.32 0.07 2.04 -1.26 -1.04 117.51 119.00 2jx9 h ILE 91 Ca 0.16 -0.16 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 2jx9 h ILE 91 Cb 0.62 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2jx9 h ILE 91 CO 0.04 0.09 -0.36 0.24 0.00 0.00 0.00 178.15 178.15 2jx9 h MET 92 N 0.47 0.75 -0.16 2.37 2.86 -1.40 -2.42 114.93 117.39 2jx9 h MET 92 Ca 0.14 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2jx9 h MET 92 Cb -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2jx9 h MET 92 CO -0.04 0.99 0.10 0.77 1.06 0.00 0.00 176.91 179.79 2jx9 h SER 93 N 0.62 0.18 -0.41 1.22 0.02 -0.86 0.39 113.55 114.71 2jx9 h SER 93 Ca 0.06 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2jx9 h SER 93 Cb 0.91 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 2jx9 h SER 93 CO 0.08 0.13 -0.03 1.56 -1.14 0.00 0.00 176.83 177.43 2jx9 h GLN 94 N 0.21 0.82 0.02 3.45 4.20 -1.20 0.29 115.11 122.92 2jx9 h GLN 94 Ca 0.06 -0.24 -0.22 0.00 0.06 0.00 0.00 58.65 58.31 2jx9 h GLN 94 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2jx9 h GLN 94 CO -0.02 0.85 -0.96 0.00 -0.67 0.00 0.00 178.83 178.03 2jx9 h ARG 95 N 0.76 0.24 0.00 1.46 3.08 -1.10 -3.39 114.38 115.43 2jx9 h ARG 95 Ca 0.14 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jx9 h ARG 95 Cb 0.51 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2jx9 h ARG 95 CO 0.03 1.03 -0.95 0.00 -1.07 0.00 0.00 179.97 179.01 2jx9 n ASN 97 N -1.53 3.36 -0.37 0.00 3.02 0.10 -2.05 115.26 117.80 2jx9 n ASN 97 Ca -0.00 1.19 -0.05 0.00 -0.03 0.00 0.00 54.58 55.69 2jx9 n ASN 97 Cb 0.15 -1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 37.75 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 1.26 -4.47 -4.46 6.41 4.13 -0.29 -4.97 115.26 112.87 2jx9 n ASN 98 Ca 0.06 0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.14 2jx9 n ASN 98 Cb 0.36 -2.39 -0.12 0.00 -1.54 0.00 0.00 39.78 36.09 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 -1.88 1.73 0.25 3.52 0.52 -0.87 -4.81 118.95 117.41 2jx9 s ARG 99 Ca 0.00 -1.19 0.07 0.00 -0.52 0.00 0.00 55.73 54.09 2jx9 s ARG 99 Cb 0.00 -2.07 0.30 0.00 0.52 0.00 0.00 34.95 33.70 2jx9 s ARG 99 CO 0.00 0.48 1.59 1.15 0.02 0.00 0.00 175.30 178.54 2jx9 h THR 100 N 3.68 1.42 -3.95 0.02 2.02 -1.87 1.23 112.91 115.47 2jx9 h THR 100 Ca -0.50 -2.05 -0.12 0.00 0.77 0.00 0.00 66.41 64.51 2jx9 h THR 100 Cb 1.17 2.08 -0.16 0.00 -1.74 0.00 0.00 68.15 69.49 2jx9 h THR 100 CO 0.44 0.60 -0.56 0.00 0.37 0.00 0.00 175.52 176.37 2jx9 s GLN 101 N -3.68 0.62 -0.18 6.66 -2.07 -1.26 0.73 119.66 120.48 2jx9 s GLN 101 Ca -0.03 -0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 52.45 2jx9 s GLN 101 Cb 0.12 0.24 0.05 0.00 -1.09 0.00 0.00 33.01 32.33 2jx9 s GLN 101 CO 0.78 -0.15 0.46 0.00 -1.32 0.00 0.00 175.29 175.06 2jx9 s VAL 103 N 0.75 1.54 -0.04 0.00 1.01 -1.26 -0.47 120.40 121.93 2jx9 s VAL 103 Ca -0.04 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 2jx9 s VAL 103 Cb -0.05 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2jx9 s VAL 103 CO -0.05 0.44 0.28 -0.69 0.00 0.00 0.00 175.10 175.08 2jx9 s VAL 104 N 0.29 0.04 -0.29 2.92 1.01 -0.95 -4.96 120.40 118.46 2jx9 s VAL 104 Ca -0.11 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2jx9 s VAL 104 Cb -0.15 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2jx9 s VAL 104 CO 0.04 -0.19 1.10 -0.69 0.00 0.00 0.00 175.10 175.36 2jx9 s VAL 105 N -0.86 4.50 0.00 2.92 1.01 -1.26 -0.39 120.40 126.32 2jx9 s VAL 105 Ca -0.09 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2jx9 s VAL 105 Cb -0.05 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2jx9 s VAL 105 CO 0.03 -0.41 0.96 0.00 0.00 0.00 0.00 175.10 175.68 2jx9 n ALA 106 N 6.82 2.63 -2.00 5.51 0.00 -0.99 -4.64 120.51 127.83 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 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.24 -0.14 4.70 0.00 0.00 -1.26 -3.05 105.19 106.68 2jx9 n GLY 107 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.34 113.62 115.51 2jx9 n SER 108 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2jx9 n SER 108 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.68 0.00 -0.09 -3.46 8.00 -1.26 -2.03 116.55 115.02 2jx9 n ASP 109 Ca 0.00 -0.44 0.13 0.00 0.71 0.00 0.00 54.79 55.19 2jx9 n ASP 109 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.78 3.10 -3.56 2.24 0.00 -0.51 -4.82 120.51 116.18 2jx9 n ALA 110 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 2jx9 n ALA 110 Cb 0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.76 -0.37 0.00 0.00 0.08 -0.45 -4.90 117.98 109.59 2jx9 s PHE 111 Ca 0.19 0.86 0.00 0.00 0.12 0.00 0.00 56.93 58.10 2jx9 s PHE 111 Cb 0.19 0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.74 2jx9 s PHE 111 CO 0.58 -0.23 0.00 -2.30 -0.10 0.00 0.00 175.22 173.17 2jx9 n PRO 112 N 3.87 2.93 -3.38 0.24 -0.02 -1.26 -4.70 135.00 132.68 2jx9 n PRO 112 Ca -0.21 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.08 2jx9 n PRO 112 Cb 0.55 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.94 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 1.50 0.00 2.55 -1.08 -1.26 -4.97 116.67 111.00 2jx9 s ASP 113 Ca 0.00 -1.51 0.30 0.00 -0.52 0.00 0.00 52.55 50.82 2jx9 s ASP 113 Cb 0.00 0.43 1.55 0.00 -1.46 0.00 0.00 42.92 43.43 2jx9 s ASP 113 CO 0.00 -0.29 2.05 -0.81 0.52 0.00 0.00 175.17 176.64 2jx9 n PRO 114 N 4.42 0.52 -2.71 4.34 -0.04 -1.26 -4.36 135.00 135.91 2jx9 n PRO 114 Ca 0.09 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2jx9 n PRO 114 Cb 0.44 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.35 0.71 -0.51 0.00 -0.02 -1.26 -2.08 135.00 133.19 2jx9 n PRO 116 Ca 0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2jx9 n PRO 116 Cb 0.68 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.52 1.71 3.47 -1.23 0.00 -1.26 -5.01 105.19 104.39 2jx9 n GLY 117 Ca 0.13 0.00 -0.29 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 -3.41 2.73 -0.41 2.61 2.01 -0.88 -4.45 115.64 113.84 2jx9 s THR 118 Ca 0.00 -1.53 -0.26 0.00 0.31 0.00 0.00 61.69 60.21 2jx9 s THR 118 Cb 0.00 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.30 2jx9 s THR 118 CO 0.00 0.12 0.95 -0.47 -0.69 0.00 0.00 174.62 174.53 2jx9 s TYR 119 N -1.11 3.00 0.00 4.92 5.04 0.10 -4.99 117.35 124.31 2jx9 s TYR 119 Ca 0.17 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 2jx9 s TYR 119 Cb -0.10 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.36 2jx9 s TYR 119 CO 0.09 -0.97 0.00 1.63 -1.34 0.00 0.00 175.55 174.96 2jx9 n LYS 120 N 7.02 1.98 -3.84 4.97 5.02 -1.26 -4.80 118.16 127.25 2jx9 n LYS 120 Ca 0.07 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.38 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 1.07 0.00 -0.08 2.13 -0.85 0.14 -2.25 117.35 117.52 2jx9 s TYR 121 Ca 0.00 -0.16 -0.00 0.00 -0.52 0.00 0.00 57.07 56.39 2jx9 s TYR 121 Cb 0.00 0.58 0.02 0.00 0.38 0.00 0.00 41.96 42.94 2jx9 s TYR 121 CO 0.00 -0.37 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.44 2jx9 s LEU 122 N -3.45 1.08 -0.17 -3.49 2.96 -0.91 -1.48 118.68 113.21 2jx9 s LEU 122 Ca 0.23 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2jx9 s LEU 122 Cb 0.01 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 46.09 2jx9 s LEU 122 CO -0.01 -0.11 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.07 2jx9 s GLU 123 N 1.49 3.22 -0.05 1.98 2.12 -0.97 -2.25 118.70 124.24 2jx9 s GLU 123 Ca -0.01 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2jx9 s GLU 123 Cb -0.13 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.60 2jx9 s GLU 123 CO -0.04 -0.04 -0.03 0.08 -0.54 0.00 0.00 175.26 174.69 2jx9 s VAL 124 N 0.97 0.51 -0.14 3.70 1.01 -0.76 -1.77 120.40 123.91 2jx9 s VAL 124 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2jx9 s VAL 124 Cb -0.15 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 2jx9 s VAL 124 CO -0.02 0.24 -0.11 -1.10 0.00 0.00 0.00 175.10 174.10 2jx9 s GLN 125 N 1.17 3.40 0.12 2.72 1.11 0.16 -1.84 119.66 126.50 2jx9 s GLN 125 Ca -0.07 -0.67 -0.08 0.00 0.01 0.00 0.00 55.36 54.56 2jx9 s GLN 125 Cb -0.14 -2.70 -0.01 0.00 -1.01 0.00 0.00 33.01 29.15 2jx9 s GLN 125 CO -0.01 0.16 0.20 1.52 0.01 0.00 0.00 175.29 177.16 2jx9 s TYR 126 N 0.50 0.31 0.22 0.91 1.13 -0.78 -1.55 117.35 118.10 2jx9 s TYR 126 Ca -0.08 -0.72 0.09 0.00 -1.41 0.00 0.00 57.07 54.95 2jx9 s TYR 126 Cb -0.15 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 2jx9 s TYR 126 CO 0.04 -0.59 -0.04 -0.51 -2.51 0.00 0.00 175.55 171.93 2jx9 s ASP 127 N -2.92 4.44 -0.33 -0.18 1.11 -0.89 -2.06 116.67 115.85 2jx9 s ASP 127 Ca 0.11 -0.59 -0.03 0.00 0.18 0.00 0.00 52.55 52.21 2jx9 s ASP 127 Cb 0.05 -0.81 0.06 0.00 1.07 0.00 0.00 42.92 43.28 2jx9 s ASP 127 CO -0.06 0.05 0.06 0.00 1.18 0.00 0.00 175.17 176.40 2jx9 s VAL 129 N 1.27 2.91 0.66 0.00 -7.23 -1.04 -4.76 120.40 112.21 2jx9 s VAL 129 Ca -0.02 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 57.86 2jx9 s VAL 129 Cb -0.20 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2jx9 s VAL 129 CO -0.01 -0.35 1.13 -2.65 -0.31 0.00 0.00 175.10 172.92 2jx9 n PRO 130 N -0.81 0.87 0.00 4.82 -0.02 -1.26 0.12 135.00 138.71 2jx9 n PRO 130 Ca -0.05 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 2jx9 n PRO 130 Cb 0.60 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.77 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 -2.09 0.00 0.00 6.00 9.36 -1.17 -4.62 117.16 124.64 2jx9 n TYR 131 Ca 0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.37 2jx9 n TYR 131 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 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 -0.54 1.31 -3.19 2.98 5.02 -1.26 -5.03 118.16 117.44 2jx9 n LYS 132 Ca 0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 2jx9 n LYS 132 Cb 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.96 2jx9 n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jx9 s VAL 133 N 2.36 4.89 0.00 -0.18 0.11 -1.26 -5.19 120.40 121.13 2jx9 s VAL 133 Ca 0.00 1.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.32 2jx9 s VAL 133 Cb 0.00 -3.94 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2jx9 s VAL 133 CO 0.00 0.42 0.00 1.21 -3.33 0.00 0.00 175.10 173.40