#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 -1.13 0.00 0.99 0.00 -1.26 -4.94 117.00 110.66 2jx9 n LEU 30 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 56.01 54.91 2jx9 n LEU 30 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 43.42 41.86 2jx9 n LEU 30 CO 0.00 0.57 0.00 -0.81 0.00 0.00 0.00 177.39 177.15 2jx9 n PRO 31 N -3.53 0.00 0.13 1.96 -0.04 -1.26 -4.43 135.00 127.83 2jx9 n PRO 31 Ca -0.24 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2jx9 n PRO 31 Cb 0.64 -0.50 0.41 0.00 -0.04 0.00 0.00 33.50 34.00 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2jx9 h PHE 32 N 0.00 0.00 0.00 0.54 0.04 -1.92 -3.46 116.94 112.15 2jx9 h PHE 32 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2jx9 h PHE 32 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2jx9 h PHE 32 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 2jx9 n GLY 33 N 1.01 0.40 3.78 -1.45 0.00 -1.26 -4.80 105.19 102.87 2jx9 n GLY 33 Ca 0.05 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 4.44 0.22 0.99 2.96 -1.26 -4.75 118.68 121.29 2jx9 s LEU 34 Ca 0.00 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 2jx9 s LEU 34 Cb 0.00 -3.75 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2jx9 s LEU 34 CO 0.00 0.04 0.00 0.23 -1.32 0.00 0.00 176.35 175.30 2jx9 n MET 35 N 0.93 -5.65 -3.13 1.98 2.81 -1.26 -4.97 117.12 107.83 2jx9 n MET 35 Ca -0.01 4.00 -0.31 0.00 -1.81 0.00 0.00 57.70 59.58 2jx9 n MET 35 Cb 0.49 -4.31 -0.04 0.00 -0.71 0.00 0.00 33.22 28.65 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 -0.72 3.80 -0.09 0.03 0.52 0.53 -4.92 118.95 118.09 2jx9 s ARG 36 Ca 0.00 0.37 -0.08 0.00 -0.52 0.00 0.00 55.73 55.51 2jx9 s ARG 36 Cb 0.00 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 33.00 2jx9 s ARG 36 CO 0.00 0.13 0.24 0.50 0.02 0.00 0.00 175.30 176.19 2jx9 s ARG 37 N -3.40 0.26 0.02 3.54 3.52 -1.26 -2.07 118.95 119.56 2jx9 s ARG 37 Ca 0.49 0.39 0.02 0.00 -0.13 0.00 0.00 55.73 56.50 2jx9 s ARG 37 Cb -0.11 0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 2jx9 s ARG 37 CO 0.26 -0.07 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.40 2jx9 s GLU 38 N 0.42 0.51 -0.01 5.12 2.02 -1.03 -5.02 118.70 120.71 2jx9 s GLU 38 Ca -0.02 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2jx9 s GLU 38 Cb -0.04 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.80 2jx9 s GLU 38 CO -0.02 0.09 -0.02 -1.17 0.02 0.00 0.00 175.26 174.17 2jx9 s LEU 39 N -0.85 1.81 -0.01 1.80 0.20 -1.26 -1.49 118.68 118.88 2jx9 s LEU 39 Ca -0.03 -0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.77 2jx9 s LEU 39 Cb -0.06 -0.14 -0.00 0.00 -0.43 0.00 0.00 46.19 45.56 2jx9 s LEU 39 CO 0.00 -0.00 -0.06 0.00 -0.29 0.00 0.00 176.35 176.00 2jx9 s ALA 40 N 0.19 0.51 0.36 5.97 0.00 -0.77 -4.99 121.76 123.03 2jx9 s ALA 40 Ca -0.02 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 2jx9 s ALA 40 Cb -0.04 -0.15 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 2jx9 s ALA 40 CO -0.01 0.11 1.38 0.00 0.00 0.00 0.00 175.76 177.25 2jx9 n GLU 42 N 0.55 0.84 0.00 0.00 2.13 -0.97 -1.12 120.64 122.08 2jx9 n GLU 42 Ca 0.01 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2jx9 n GLU 42 Cb 0.41 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 2.32 1.58 3.84 8.31 0.00 -0.92 -4.94 105.19 115.38 2jx9 n GLY 43 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.33 3.24 0.54 1.61 1.51 -0.27 -4.78 117.35 116.87 2jx9 s TYR 44 Ca 0.00 0.01 -0.17 0.00 -1.01 0.00 0.00 57.07 55.90 2jx9 s TYR 44 Cb 0.00 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.24 2jx9 s TYR 44 CO 0.00 0.52 1.03 -1.25 -1.11 0.00 0.00 175.55 174.74 2jx9 s PRO 45 N -3.18 3.62 0.02 -1.71 0.04 -1.26 -1.09 135.00 131.44 2jx9 s PRO 45 Ca 0.32 1.17 0.07 0.00 0.04 0.00 0.00 61.00 62.59 2jx9 s PRO 45 Cb -0.10 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2jx9 s PRO 45 CO 0.25 -0.56 -0.20 -1.50 0.04 0.00 0.00 177.00 175.03 2jx9 s ILE 46 N -2.39 1.59 -0.07 0.56 2.07 0.92 -4.82 121.20 119.06 2jx9 s ILE 46 Ca 0.63 -1.06 0.03 0.00 -1.41 0.00 0.00 60.65 58.84 2jx9 s ILE 46 Cb -0.14 -1.37 0.01 0.00 0.13 0.00 0.00 42.46 41.09 2jx9 s ILE 46 CO 0.31 0.27 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.77 2jx9 s GLU 47 N -0.92 1.96 -0.02 3.50 2.12 -1.26 -1.34 118.70 122.73 2jx9 s GLU 47 Ca 0.07 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 54.93 2jx9 s GLU 47 Cb -0.08 -1.58 -0.03 0.00 0.26 0.00 0.00 34.13 32.70 2jx9 s GLU 47 CO 0.01 0.08 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.15 2jx9 s LEU 48 N 0.54 2.76 -0.12 2.70 1.43 -0.30 -4.97 118.68 120.72 2jx9 s LEU 48 Ca -0.14 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2jx9 s LEU 48 Cb -0.16 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.53 2jx9 s LEU 48 CO 0.05 0.32 0.30 -0.13 0.23 0.00 0.00 176.35 177.11 2jx9 s ARG 49 N -0.98 0.27 -0.08 1.70 0.52 -1.26 -1.62 118.95 117.50 2jx9 s ARG 49 Ca 0.13 0.59 -0.05 0.00 -0.52 0.00 0.00 55.73 55.88 2jx9 s ARG 49 Cb -0.11 -0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 2jx9 s ARG 49 CO 0.03 -0.15 0.13 0.00 0.02 0.00 0.00 175.30 175.33 2jx9 s PRO 51 N -1.31 1.90 3.07 0.00 0.04 -1.26 -4.70 135.00 132.74 2jx9 s PRO 51 Ca 0.19 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2jx9 s PRO 51 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2jx9 s PRO 51 CO 0.08 -1.86 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2jx9 n GLY 52 N -1.15 2.38 1.84 0.56 0.00 -1.26 -1.68 105.19 105.88 2jx9 n GLY 52 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.54 5.35 -4.80 1.61 3.41 -1.26 -4.98 113.62 113.49 2jx9 n SER 53 Ca 0.00 -3.03 -0.30 0.00 -0.26 0.00 0.00 58.87 55.28 2jx9 n SER 53 Cb 0.00 -0.69 0.09 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.96 4.46 0.03 4.04 1.01 -0.68 -3.82 116.67 120.75 2jx9 s ASP 54 Ca 0.54 1.29 0.07 0.00 0.71 0.00 0.00 52.55 55.16 2jx9 s ASP 54 Cb 0.42 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 42.31 2jx9 s ASP 54 CO 0.15 -1.99 -0.21 0.68 0.21 0.00 0.00 175.17 174.01 2jx9 s VAL 55 N -3.16 1.69 0.22 -1.27 -7.23 0.13 -4.40 120.40 106.38 2jx9 s VAL 55 Ca 0.61 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 2jx9 s VAL 55 Cb -0.14 -1.46 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2jx9 s VAL 55 CO 0.54 0.26 1.36 -0.63 -0.31 0.00 0.00 175.10 176.32 2jx9 s ILE 56 N -0.75 2.97 -0.31 -0.62 1.01 0.33 -2.11 121.20 121.72 2jx9 s ILE 56 Ca 0.08 0.81 -0.00 0.00 0.00 0.00 0.00 60.65 61.54 2jx9 s ILE 56 Cb -0.09 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.96 2jx9 s ILE 56 CO 0.01 0.13 0.09 0.00 0.00 0.00 0.00 174.94 175.17 2jx9 s MET 57 N -0.27 0.82 -0.00 2.79 0.23 -0.02 -1.54 119.30 121.31 2jx9 s MET 57 Ca 0.57 -1.14 -0.30 0.00 -1.03 0.00 0.00 55.69 53.79 2jx9 s MET 57 Cb -0.39 -2.15 -0.06 0.00 -1.53 0.00 0.00 34.83 30.71 2jx9 s MET 57 CO 0.41 -0.96 1.42 0.08 -2.03 0.00 0.00 175.02 173.93 2jx9 s VAL 58 N 1.53 3.69 -0.17 5.16 1.01 -1.26 -1.90 120.40 128.46 2jx9 s VAL 58 Ca 0.09 1.06 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 2jx9 s VAL 58 Cb -0.17 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2jx9 s VAL 58 CO -0.22 -0.01 -0.18 -0.62 0.00 0.00 0.00 175.10 174.07 2jx9 n GLU 59 N 5.45 0.40 -3.81 2.72 1.02 -0.74 -4.94 120.64 120.75 2jx9 n GLU 59 Ca 0.13 0.12 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 2jx9 n GLU 59 Cb 0.43 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.49 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 -5.98 -0.17 -0.12 1.62 0.01 -0.97 -5.04 114.94 104.30 2jx9 s ASN 60 Ca -0.23 0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.87 2jx9 s ASN 60 Cb 0.07 0.38 0.10 0.00 0.41 0.00 0.00 41.25 42.21 2jx9 s ASN 60 CO 0.36 -0.19 0.83 0.00 -1.51 0.00 0.00 177.10 176.59 2jx9 s ALA 61 N -0.39 -1.85 0.01 0.60 0.00 -1.26 0.89 121.76 119.76 2jx9 s ALA 61 Ca -0.05 1.49 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 2jx9 s ALA 61 Cb -0.03 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.69 2jx9 s ALA 61 CO 0.01 -0.34 0.27 1.21 0.00 0.00 0.00 175.76 176.92 2jx9 s ASN 62 N -1.02 -0.12 -0.17 0.00 2.47 -0.33 -3.30 114.94 112.48 2jx9 s ASN 62 Ca -0.06 -0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.13 2jx9 s ASN 62 Cb -0.01 0.31 0.02 0.00 -1.45 0.00 0.00 41.25 40.12 2jx9 s ASN 62 CO 0.05 -0.50 -0.18 -0.47 -3.72 0.00 0.00 177.10 172.28 2jx9 s TYR 63 N -1.87 2.56 0.00 0.43 5.04 -1.25 -1.82 117.35 120.44 2jx9 s TYR 63 Ca -0.10 -1.49 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 2jx9 s TYR 63 Cb -0.04 -1.80 0.00 0.00 0.35 0.00 0.00 41.96 40.47 2jx9 s TYR 63 CO 0.01 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.87 2jx9 n GLY 64 N 4.66 -0.54 3.62 8.97 0.00 -0.05 -3.09 105.19 118.76 2jx9 n GLY 64 Ca -0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.89 0.57 0.00 1.61 3.52 -0.95 0.12 118.95 122.92 2jx9 s ARG 65 Ca 0.00 1.43 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 2jx9 s ARG 65 Cb 0.00 0.85 0.00 0.00 -1.56 0.00 0.00 34.95 34.24 2jx9 s ARG 65 CO 0.00 -0.21 0.79 0.25 -0.81 0.00 0.00 175.30 175.32 2jx9 n THR 66 N 5.45 0.63 -3.89 4.11 -2.24 -1.26 -0.23 114.28 116.84 2jx9 n THR 66 Ca -0.12 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 60.87 2jx9 n THR 66 Cb 0.49 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.63 0.07 0.00 3.42 2.15 -1.26 -4.79 116.67 115.63 2jx9 s ASP 67 Ca 0.00 -0.28 0.18 0.00 0.43 0.00 0.00 52.55 52.88 2jx9 s ASP 67 Cb 0.00 0.20 0.11 0.00 -0.30 0.00 0.00 42.92 42.93 2jx9 s ASP 67 CO 0.00 -0.38 1.05 -0.90 -0.17 0.00 0.00 175.17 174.76 2jx9 n ASP 68 N 1.37 2.36 -1.07 -0.34 5.68 -1.26 -4.34 116.55 118.94 2jx9 n ASP 68 Ca -0.22 -1.68 0.09 0.00 -0.50 0.00 0.00 54.79 52.48 2jx9 n ASP 68 Cb 0.56 0.11 0.26 0.00 -1.14 0.00 0.00 41.12 40.90 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 0.78 2.90 -4.35 0.11 5.02 -1.26 -4.91 118.16 116.45 2jx9 n LYS 69 Ca 0.10 -2.45 -0.34 0.00 -2.02 0.00 0.00 58.31 53.60 2jx9 n LYS 69 Cb 0.44 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.16 4.18 -0.84 -0.18 -1.09 -1.26 -4.63 121.20 116.22 2jx9 s ILE 70 Ca 0.38 -0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 2jx9 s ILE 70 Cb 0.21 -2.80 -0.01 0.00 -1.58 0.00 0.00 42.46 38.28 2jx9 s ILE 70 CO 0.24 0.55 0.74 0.00 -1.23 0.00 0.00 174.94 175.23 2jx9 n ASP 72 N -2.21 0.11 -0.53 0.00 5.75 -1.26 -4.84 116.55 113.56 2jx9 n ASP 72 Ca -0.06 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 2jx9 n ASP 72 Cb 0.55 -0.99 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jx9 n ALA 73 N 10.73 0.00 -1.77 2.12 0.00 -1.26 -5.07 120.51 125.25 2jx9 n ALA 73 Ca 0.60 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.63 2jx9 n ALA 73 Cb 0.22 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 -0.13 6.48 0.30 0.00 -4.77 -1.26 -4.85 116.67 112.43 2jx9 s ASP 74 Ca 0.00 2.85 0.01 0.00 -3.30 0.00 0.00 52.55 52.11 2jx9 s ASP 74 Cb 0.00 -2.66 0.54 0.00 -1.09 0.00 0.00 42.92 39.72 2jx9 s ASP 74 CO 0.00 -0.76 1.89 1.55 0.70 0.00 0.00 175.17 178.55 2jx9 h PRO 75 N 3.06 0.98 -0.60 2.11 0.13 -1.97 -0.89 132.00 134.82 2jx9 h PRO 75 Ca -0.50 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2jx9 h PRO 75 Cb 1.24 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 2jx9 h PRO 75 CO 0.64 0.65 0.31 0.74 -0.23 0.00 0.00 178.00 180.12 2jx9 h PHE 76 N 1.01 0.82 0.00 1.56 0.04 -1.97 0.12 116.94 118.53 2jx9 h PHE 76 Ca 0.42 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.18 2jx9 h PHE 76 Cb 0.30 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2jx9 h PHE 76 CO -0.00 0.58 -0.38 1.04 -0.60 0.00 0.00 178.31 178.95 2jx9 n GLN 77 N -4.38 0.10 0.00 1.51 6.02 -0.73 -3.65 117.38 116.26 2jx9 n GLN 77 Ca 0.06 0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.19 2jx9 n GLN 77 Cb 0.11 -1.58 0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.74 1.59 -0.11 -1.09 2.81 -0.40 -0.93 117.12 117.25 2jx9 n MET 78 Ca 0.05 -1.23 -0.11 0.00 -1.81 0.00 0.00 57.70 54.60 2jx9 n MET 78 Cb 0.37 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 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 2.93 0.58 -6.44 0.03 5.08 -0.88 -3.41 114.58 112.46 2jx9 h GLU 79 Ca 0.00 -0.19 -0.57 0.00 -1.00 0.00 0.00 59.36 57.61 2jx9 h GLU 79 Cb 0.76 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 2jx9 h GLU 79 CO 0.00 0.71 0.91 1.21 -1.00 0.00 0.00 179.01 180.84 2jx9 s ASN 80 N -6.08 6.75 -0.43 1.42 2.47 -1.26 -4.88 114.94 112.92 2jx9 s ASN 80 Ca -0.13 0.93 0.04 0.00 0.42 0.00 0.00 52.86 54.12 2jx9 s ASN 80 Cb 0.09 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.90 2jx9 s ASN 80 CO 0.77 -1.06 1.74 1.33 -3.72 0.00 0.00 177.10 176.16 2jx9 n VAL 81 N 6.29 3.04 -3.39 -5.21 0.24 -1.26 -4.77 118.33 113.27 2jx9 n VAL 81 Ca 0.13 -2.59 -0.25 0.00 -2.04 0.00 0.00 64.34 59.59 2jx9 n VAL 81 Cb 0.47 -0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 32.12 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 -3.42 0.71 -0.08 7.34 -1.52 -0.88 -4.12 119.66 117.69 2jx9 s GLN 82 Ca 0.54 -1.53 -0.03 0.00 -1.95 0.00 0.00 55.36 52.39 2jx9 s GLN 82 Cb 0.46 -1.19 0.04 0.00 -0.22 0.00 0.00 33.01 32.10 2jx9 s GLN 82 CO 0.04 -1.28 0.16 0.00 -0.25 0.00 0.00 175.29 173.97 2jx9 s TYR 84 N 1.67 0.70 -0.39 0.00 1.51 -1.26 -2.25 117.35 117.33 2jx9 s TYR 84 Ca -0.04 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 2jx9 s TYR 84 Cb -0.12 -0.42 0.16 0.00 -0.11 0.00 0.00 41.96 41.48 2jx9 s TYR 84 CO -0.06 -0.07 0.41 -1.17 -1.11 0.00 0.00 175.55 173.55 2jx9 s LEU 85 N -1.55 -0.11 0.24 -1.29 2.96 -1.18 -4.86 118.68 112.89 2jx9 s LEU 85 Ca -0.09 -1.70 -0.05 0.00 -0.22 0.00 0.00 54.13 52.08 2jx9 s LEU 85 Cb -0.10 0.65 0.44 0.00 0.50 0.00 0.00 46.19 47.68 2jx9 s LEU 85 CO 0.00 -0.23 1.74 -0.65 -1.32 0.00 0.00 176.35 175.90 2jx9 h PRO 86 N 6.76 0.46 -0.29 0.98 0.11 -1.90 -1.20 132.00 136.93 2jx9 h PRO 86 Ca 0.07 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.24 2jx9 h PRO 86 Cb 1.05 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2jx9 h PRO 86 CO 0.19 0.31 0.38 -0.44 -0.21 0.00 0.00 178.00 178.23 2jx9 h ASP 87 N 0.48 0.00 -0.88 -2.05 3.32 -1.96 0.10 116.42 115.43 2jx9 h ASP 87 Ca 0.40 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.66 2jx9 h ASP 87 Cb 0.58 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 2jx9 h ASP 87 CO -0.38 0.00 0.59 0.00 -1.72 0.00 0.00 179.24 177.73 2jx9 h ALA 88 N 1.51 2.26 -0.55 3.45 0.00 -1.50 0.37 119.26 124.81 2jx9 h ALA 88 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jx9 h ALA 88 Cb 0.89 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jx9 h ALA 88 CO -0.00 -0.54 0.12 0.35 0.00 0.00 0.00 179.25 179.18 2jx9 h PHE 89 N 0.36 0.94 -0.41 0.00 3.57 -0.78 -2.72 116.94 117.90 2jx9 h PHE 89 Ca 0.45 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 2jx9 h PHE 89 Cb 1.18 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2jx9 h PHE 89 CO -0.00 0.82 -0.06 1.57 -2.23 0.00 0.00 178.31 178.41 2jx9 h LYS 90 N 0.78 0.69 0.03 1.11 2.10 -1.07 -0.48 116.57 119.73 2jx9 h LYS 90 Ca 0.17 -0.20 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2jx9 h LYS 90 Cb 0.36 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2jx9 h LYS 90 CO 0.00 0.75 -0.02 0.82 -2.00 0.00 0.00 179.45 179.01 2jx9 h ILE 91 N 0.64 1.08 -0.49 0.07 2.04 -1.31 -1.87 117.51 117.67 2jx9 h ILE 91 Ca 0.12 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 2jx9 h ILE 91 Cb 0.49 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2jx9 h ILE 91 CO 0.03 0.09 -0.12 0.24 0.00 0.00 0.00 178.15 178.38 2jx9 h MET 92 N -0.19 0.91 -0.48 2.37 2.86 -1.39 -2.36 114.93 116.65 2jx9 h MET 92 Ca -0.00 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2jx9 h MET 92 Cb 0.18 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 2jx9 h MET 92 CO 0.01 0.98 0.27 0.77 1.06 0.00 0.00 176.91 179.99 2jx9 h SER 93 N 0.81 0.41 -0.27 1.22 0.02 -0.98 0.18 113.55 114.95 2jx9 h SER 93 Ca 0.13 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2jx9 h SER 93 Cb 0.65 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2jx9 h SER 93 CO 0.05 0.29 -0.14 1.56 -1.14 0.00 0.00 176.83 177.45 2jx9 h GLN 94 N 0.53 0.70 0.02 3.45 4.20 -1.20 0.20 115.11 123.02 2jx9 h GLN 94 Ca 0.20 -0.24 -0.21 0.00 0.06 0.00 0.00 58.65 58.46 2jx9 h GLN 94 Cb 0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2jx9 h GLN 94 CO -0.12 0.81 -0.99 0.00 -0.67 0.00 0.00 178.83 177.86 2jx9 h ARG 95 N 0.63 0.08 0.00 1.46 3.08 -0.89 -3.38 114.38 115.36 2jx9 h ARG 95 Ca 0.11 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2jx9 h ARG 95 Cb 0.60 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2jx9 h ARG 95 CO 0.04 1.00 -1.40 0.00 -1.07 0.00 0.00 179.97 178.54 2jx9 n ASN 97 N -1.81 3.20 -0.33 0.00 3.02 0.72 -1.38 115.26 118.68 2jx9 n ASN 97 Ca -0.02 1.13 -0.04 0.00 -0.03 0.00 0.00 54.58 55.62 2jx9 n ASN 97 Cb 0.23 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 37.90 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 2.41 -4.84 -4.55 6.41 4.13 -0.59 -4.98 115.26 113.25 2jx9 n ASN 98 Ca 0.12 0.11 -0.31 0.00 1.68 0.00 0.00 54.58 56.17 2jx9 n ASN 98 Cb 0.33 -2.71 -0.11 0.00 -1.54 0.00 0.00 39.78 35.75 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 -1.87 2.30 0.26 3.52 0.52 -0.48 -4.80 118.95 118.39 2jx9 s ARG 99 Ca 0.00 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.37 2jx9 s ARG 99 Cb 0.00 -2.36 0.33 0.00 0.52 0.00 0.00 34.95 33.44 2jx9 s ARG 99 CO 0.00 0.56 1.63 1.15 0.02 0.00 0.00 175.30 178.66 2jx9 h THR 100 N 3.67 1.33 -3.35 0.02 2.02 -1.85 0.94 112.91 115.70 2jx9 h THR 100 Ca -0.48 -1.66 -0.09 0.00 0.77 0.00 0.00 66.41 64.95 2jx9 h THR 100 Cb 1.16 1.74 -0.16 0.00 -1.74 0.00 0.00 68.15 69.15 2jx9 h THR 100 CO 0.52 0.50 -0.24 0.00 0.37 0.00 0.00 175.52 176.66 2jx9 s GLN 101 N -4.06 0.83 -0.09 6.66 1.03 -1.26 0.15 119.66 122.92 2jx9 s GLN 101 Ca -0.05 -0.56 -0.21 0.00 0.04 0.00 0.00 55.36 54.58 2jx9 s GLN 101 Cb 0.13 0.36 0.05 0.00 0.03 0.00 0.00 33.01 33.57 2jx9 s GLN 101 CO 0.79 -0.27 0.50 0.00 -2.54 0.00 0.00 175.29 173.77 2jx9 s VAL 103 N -0.69 1.69 0.01 0.00 1.01 -1.26 -1.14 120.40 120.01 2jx9 s VAL 103 Ca -0.08 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2jx9 s VAL 103 Cb -0.03 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2jx9 s VAL 103 CO 0.05 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 2jx9 s VAL 104 N 0.73 0.34 -0.32 2.92 1.01 -0.45 -4.95 120.40 119.68 2jx9 s VAL 104 Ca -0.11 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2jx9 s VAL 104 Cb -0.16 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2jx9 s VAL 104 CO 0.02 -0.11 1.18 -0.69 0.00 0.00 0.00 175.10 175.51 2jx9 s VAL 105 N -0.59 4.32 0.00 2.92 1.01 -1.26 -0.06 120.40 126.74 2jx9 s VAL 105 Ca -0.04 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2jx9 s VAL 105 Cb -0.05 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2jx9 s VAL 105 CO -0.00 -0.52 0.59 0.00 0.00 0.00 0.00 175.10 175.17 2jx9 n ALA 106 N 7.28 2.19 -2.00 5.51 0.00 -0.25 -4.61 120.51 128.63 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 0.47 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.32 -0.26 3.94 0.00 0.00 -1.26 -2.16 105.19 106.77 2jx9 n GLY 107 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.01 113.62 116.86 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 0.32 0.00 -0.75 0.00 0.00 64.21 63.78 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 -2.25 0.00 0.06 -3.46 8.00 -1.26 -1.53 116.55 116.11 2jx9 n ASP 109 Ca 0.00 -0.47 0.13 0.00 0.71 0.00 0.00 54.79 55.15 2jx9 n ASP 109 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.92 2.59 -3.60 2.24 0.00 -0.44 -4.79 120.51 115.59 2jx9 n ALA 110 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 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 -3.09 -0.20 0.00 0.00 0.08 0.10 -4.89 117.98 109.98 2jx9 s PHE 111 Ca 0.10 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.69 2jx9 s PHE 111 Cb 0.14 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.57 2jx9 s PHE 111 CO 0.63 -0.17 0.00 -2.30 -0.10 0.00 0.00 175.22 173.28 2jx9 n PRO 112 N 3.98 2.57 -3.31 0.24 -0.02 -1.26 -4.60 135.00 132.59 2jx9 n PRO 112 Ca -0.24 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.05 2jx9 n PRO 112 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 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 -2.17 1.17 0.00 2.55 -1.08 -1.26 -4.96 116.67 110.92 2jx9 s ASP 113 Ca 0.00 -2.08 0.18 0.00 -0.52 0.00 0.00 52.55 50.12 2jx9 s ASP 113 Cb 0.00 0.32 0.76 0.00 -1.46 0.00 0.00 42.92 42.54 2jx9 s ASP 113 CO 0.00 -0.22 1.57 -0.81 0.52 0.00 0.00 175.17 176.23 2jx9 n PRO 114 N 3.68 0.00 -2.72 4.34 -0.04 -1.26 -4.28 135.00 134.72 2jx9 n PRO 114 Ca 0.17 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.78 2jx9 n PRO 114 Cb 0.46 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.46 0.86 -0.50 0.00 -0.02 -1.26 -2.23 135.00 134.32 2jx9 n PRO 116 Ca 0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2jx9 n PRO 116 Cb 0.61 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.29 1.97 3.56 -1.23 0.00 -1.26 -5.01 105.19 104.51 2jx9 n GLY 117 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.49 3.30 -0.38 2.61 2.01 -0.95 -4.45 115.64 114.29 2jx9 s THR 118 Ca 0.00 -1.19 -0.25 0.00 0.31 0.00 0.00 61.69 60.56 2jx9 s THR 118 Cb 0.00 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2jx9 s THR 118 CO 0.00 0.19 0.89 -0.47 -0.69 0.00 0.00 174.62 174.54 2jx9 s TYR 119 N -1.13 3.06 0.00 4.92 6.14 -0.11 -4.99 117.35 125.24 2jx9 s TYR 119 Ca 0.20 0.67 0.00 0.00 0.64 0.00 0.00 57.07 58.57 2jx9 s TYR 119 Cb -0.11 -3.64 0.00 0.00 0.42 0.00 0.00 41.96 38.63 2jx9 s TYR 119 CO 0.11 -0.85 0.00 1.63 0.64 0.00 0.00 175.55 177.09 2jx9 n LYS 120 N 6.75 1.90 -3.73 4.97 5.02 -1.26 -4.79 118.16 127.02 2jx9 n LYS 120 Ca 0.06 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.33 2jx9 n LYS 120 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.48 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 1.10 -0.10 -0.09 2.13 -0.85 0.32 -2.29 117.35 117.57 2jx9 s TYR 121 Ca 0.00 -0.16 0.01 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 42.98 2jx9 s TYR 121 CO 0.00 -0.70 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.06 2jx9 s LEU 122 N -2.97 1.43 -0.12 -3.49 2.96 -0.85 -0.87 118.68 114.77 2jx9 s LEU 122 Ca 0.13 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2jx9 s LEU 122 Cb 0.00 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2jx9 s LEU 122 CO 0.01 -0.04 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.09 2jx9 s GLU 123 N 1.21 2.81 -0.08 1.98 2.12 -0.75 -1.85 118.70 124.13 2jx9 s GLU 123 Ca -0.04 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.51 2jx9 s GLU 123 Cb -0.14 -2.25 0.02 0.00 0.26 0.00 0.00 34.13 32.02 2jx9 s GLU 123 CO -0.03 0.02 -0.08 0.08 -0.54 0.00 0.00 175.26 174.71 2jx9 s VAL 124 N 0.75 0.89 -0.19 3.70 1.01 -0.56 -1.18 120.40 124.82 2jx9 s VAL 124 Ca -0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2jx9 s VAL 124 Cb -0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2jx9 s VAL 124 CO 0.01 0.32 0.03 -1.10 0.00 0.00 0.00 175.10 174.36 2jx9 s GLN 125 N 1.24 3.82 0.25 2.72 1.11 0.26 -2.47 119.66 126.58 2jx9 s GLN 125 Ca -0.05 -0.42 -0.12 0.00 0.01 0.00 0.00 55.36 54.78 2jx9 s GLN 125 Cb -0.14 -3.15 -0.00 0.00 -1.01 0.00 0.00 33.01 28.71 2jx9 s GLN 125 CO -0.02 0.17 0.47 1.52 0.01 0.00 0.00 175.29 177.44 2jx9 s TYR 126 N 0.62 0.40 0.18 0.91 1.13 -0.88 -1.79 117.35 117.92 2jx9 s TYR 126 Ca 0.01 -0.76 0.07 0.00 -1.41 0.00 0.00 57.07 54.99 2jx9 s TYR 126 Cb -0.13 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 2jx9 s TYR 126 CO 0.02 -0.99 -0.14 -0.51 -2.51 0.00 0.00 175.55 171.41 2jx9 s ASP 127 N -3.03 2.40 -0.30 -0.18 1.01 -0.80 -0.35 116.67 115.43 2jx9 s ASP 127 Ca 0.23 -0.97 -0.07 0.00 0.71 0.00 0.00 52.55 52.45 2jx9 s ASP 127 Cb -0.01 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.82 2jx9 s ASP 127 CO 0.09 -0.17 0.09 0.00 0.21 0.00 0.00 175.17 175.39 2jx9 s VAL 129 N 1.51 2.76 0.59 0.00 -7.23 -0.90 -4.82 120.40 112.31 2jx9 s VAL 129 Ca 0.03 -2.14 -0.19 0.00 -1.81 0.00 0.00 61.98 57.87 2jx9 s VAL 129 Cb -0.17 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2jx9 s VAL 129 CO 0.03 -0.31 1.25 -2.84 -0.31 0.00 0.00 175.10 172.92 2jx9 s PRO 130 N -3.31 2.94 0.00 4.82 0.02 -1.26 0.17 135.00 138.37 2jx9 s PRO 130 Ca 0.28 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2jx9 s PRO 130 Cb -0.06 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2jx9 s PRO 130 CO 0.15 -1.27 0.76 0.98 -0.33 0.00 0.00 177.00 177.29 2jx9 n TYR 131 N -1.52 0.00 -2.72 6.54 9.36 -1.25 -4.76 117.16 122.82 2jx9 n TYR 131 Ca 0.13 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.11 2jx9 n TYR 131 Cb 0.48 -0.02 0.02 0.00 -0.63 0.00 0.00 39.34 39.19 2jx9 n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jx9 s LYS 132 N -1.73 2.92 0.01 2.98 -0.14 -1.26 -5.07 119.74 117.45 2jx9 s LYS 132 Ca 0.00 -0.36 -0.19 0.00 -1.36 0.00 0.00 55.97 54.06 2jx9 s LYS 132 Cb 0.00 -2.44 -0.06 0.00 -1.68 0.00 0.00 37.83 33.65 2jx9 s LYS 132 CO 0.00 -0.50 0.53 0.08 -0.76 0.00 0.00 175.35 174.70 2jx9 s VAL 133 N -2.75 4.91 0.00 3.17 1.01 -1.26 -5.19 120.40 120.29 2jx9 s VAL 133 Ca 0.52 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2jx9 s VAL 133 Cb -0.10 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2jx9 s VAL 133 CO 0.41 0.49 0.00 1.21 0.00 0.00 0.00 175.10 177.20