#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 -5.60 -4.40 0.99 4.32 -1.26 -4.88 117.00 106.17 2jx9 n LEU 30 Ca 0.00 0.11 -0.36 0.00 -0.02 0.00 0.00 56.01 55.74 2jx9 n LEU 30 Cb 0.00 -2.69 0.06 0.00 -1.62 0.00 0.00 43.42 39.18 2jx9 n LEU 30 CO 0.00 -1.24 -0.14 -2.65 -1.22 0.00 0.00 177.39 172.14 2jx9 n PRO 31 N -0.65 0.21 0.07 3.23 -0.02 -1.26 -4.91 135.00 131.67 2jx9 n PRO 31 Ca 0.00 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 2jx9 n PRO 31 Cb 0.56 -1.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.28 2jx9 n PRO 31 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2jx9 h PHE 32 N -0.44 0.00 0.00 6.00 0.04 -1.90 -3.46 116.94 117.18 2jx9 h PHE 32 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2jx9 h PHE 32 Cb 1.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.50 2jx9 h PHE 32 CO 0.32 0.95 0.00 0.41 -0.60 0.00 0.00 178.31 179.39 2jx9 n GLY 33 N 1.25 0.04 3.59 -1.45 0.00 -1.26 -4.86 105.19 102.49 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 -1.12 0.26 0.99 2.96 -1.26 -5.11 118.68 115.40 2jx9 s LEU 34 Ca 0.00 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 2jx9 s LEU 34 Cb 0.00 2.24 0.00 0.00 0.50 0.00 0.00 46.19 48.93 2jx9 s LEU 34 CO 0.00 -0.21 0.00 0.23 -1.32 0.00 0.00 176.35 175.05 2jx9 n MET 35 N 5.41 -3.52 -3.44 1.98 2.81 -1.26 -4.93 117.12 114.17 2jx9 n MET 35 Ca -0.11 2.55 -0.32 0.00 -1.81 0.00 0.00 57.70 58.01 2jx9 n MET 35 Cb 0.49 -2.98 -0.05 0.00 -0.71 0.00 0.00 33.22 29.97 2jx9 n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jx9 s ARG 36 N -1.75 3.79 -0.10 0.03 0.52 0.42 -4.89 118.95 116.96 2jx9 s ARG 36 Ca 0.00 0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 55.41 2jx9 s ARG 36 Cb 0.00 -2.67 0.05 0.00 0.52 0.00 0.00 34.95 32.85 2jx9 s ARG 36 CO 0.00 0.33 0.23 0.50 0.02 0.00 0.00 175.30 176.39 2jx9 s ARG 37 N -2.79 0.19 0.04 3.54 3.52 -1.26 -1.13 118.95 121.07 2jx9 s ARG 37 Ca 0.47 0.51 0.06 0.00 -0.13 0.00 0.00 55.73 56.64 2jx9 s ARG 37 Cb -0.11 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 2jx9 s ARG 37 CO 0.21 -0.16 -0.17 -1.21 -0.81 0.00 0.00 175.30 173.16 2jx9 s GLU 38 N 1.25 1.17 0.00 5.12 0.41 -0.80 -4.99 118.70 120.86 2jx9 s GLU 38 Ca -0.09 -0.85 0.01 0.00 -0.41 0.00 0.00 54.97 53.62 2jx9 s GLU 38 Cb -0.10 -1.23 -0.00 0.00 -1.78 0.00 0.00 34.13 31.01 2jx9 s GLU 38 CO -0.08 0.31 -0.02 -1.17 -0.49 0.00 0.00 175.26 173.81 2jx9 s LEU 39 N -1.15 2.02 -0.01 1.80 0.20 -1.26 -1.41 118.68 118.87 2jx9 s LEU 39 Ca 0.05 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.81 2jx9 s LEU 39 Cb -0.08 -0.08 0.01 0.00 -0.43 0.00 0.00 46.19 45.61 2jx9 s LEU 39 CO 0.01 -0.00 -0.02 0.00 -0.29 0.00 0.00 176.35 176.05 2jx9 s ALA 40 N -0.15 0.27 0.36 5.97 0.00 -0.80 -4.98 121.76 122.44 2jx9 s ALA 40 Ca -0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.65 2jx9 s ALA 40 Cb -0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 2jx9 s ALA 40 CO -0.00 0.02 1.35 0.00 0.00 0.00 0.00 175.76 177.13 2jx9 n GLU 42 N 0.52 0.72 0.00 0.00 2.13 -0.95 -1.19 120.64 121.87 2jx9 n GLU 42 Ca 0.01 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2jx9 n GLU 42 Cb 0.42 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.27 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 2.80 0.80 3.75 8.31 0.00 -1.01 -4.95 105.19 114.89 2jx9 n GLY 43 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.21 3.05 0.57 1.61 1.51 -0.33 -4.81 117.35 116.73 2jx9 s TYR 44 Ca 0.00 -0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.83 2jx9 s TYR 44 Cb 0.00 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 2jx9 s TYR 44 CO 0.00 0.52 1.09 -1.25 -1.11 0.00 0.00 175.55 174.80 2jx9 s PRO 45 N -3.02 3.33 0.09 -1.71 0.04 -1.26 -1.60 135.00 130.88 2jx9 s PRO 45 Ca 0.30 1.42 0.10 0.00 0.04 0.00 0.00 61.00 62.86 2jx9 s PRO 45 Cb -0.10 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2jx9 s PRO 45 CO 0.22 -0.83 -0.27 -1.50 0.04 0.00 0.00 177.00 174.66 2jx9 s ILE 46 N -2.09 2.19 -0.06 0.56 2.07 0.35 -4.81 121.20 119.41 2jx9 s ILE 46 Ca 0.68 -1.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.35 2jx9 s ILE 46 Cb -0.20 -1.91 0.02 0.00 0.13 0.00 0.00 42.46 40.50 2jx9 s ILE 46 CO 0.31 0.21 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.74 2jx9 s GLU 47 N -1.69 1.50 -0.07 3.50 2.12 -1.26 -2.21 118.70 120.60 2jx9 s GLU 47 Ca 0.13 -0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.15 2jx9 s GLU 47 Cb -0.10 -1.28 -0.02 0.00 0.26 0.00 0.00 34.13 32.99 2jx9 s GLU 47 CO 0.04 -0.00 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.08 2jx9 s LEU 48 N 0.74 2.54 -0.06 2.70 1.43 -0.70 -4.97 118.68 120.36 2jx9 s LEU 48 Ca -0.14 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2jx9 s LEU 48 Cb -0.15 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.57 2jx9 s LEU 48 CO 0.03 0.29 0.16 -0.13 0.23 0.00 0.00 176.35 176.92 2jx9 s ARG 49 N -0.38 0.19 -0.03 1.70 0.52 -1.26 -1.44 118.95 118.25 2jx9 s ARG 49 Ca 0.04 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 2jx9 s ARG 49 Cb -0.12 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 2jx9 s ARG 49 CO 0.02 -0.02 0.07 0.00 0.02 0.00 0.00 175.30 175.39 2jx9 s PRO 51 N -1.52 2.30 4.00 0.00 0.04 -1.26 -4.70 135.00 133.85 2jx9 s PRO 51 Ca 0.20 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2jx9 s PRO 51 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2jx9 s PRO 51 CO 0.11 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2jx9 n GLY 52 N -1.35 3.14 0.83 0.56 0.00 -1.26 -1.52 105.19 105.59 2jx9 n GLY 52 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 3.74 2.81 -4.82 1.61 3.41 -1.26 -5.03 113.62 114.07 2jx9 n SER 53 Ca 0.00 -3.43 -0.29 0.00 -0.26 0.00 0.00 58.87 54.88 2jx9 n SER 53 Cb 0.00 -0.56 0.11 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.48 4.12 0.04 4.04 1.01 -0.57 -4.17 116.67 118.65 2jx9 s ASP 54 Ca 0.41 1.02 0.06 0.00 0.71 0.00 0.00 52.55 54.75 2jx9 s ASP 54 Cb 0.36 -1.64 -0.02 0.00 1.01 0.00 0.00 42.92 42.63 2jx9 s ASP 54 CO 0.02 -2.17 -0.17 0.68 0.21 0.00 0.00 175.17 173.74 2jx9 s VAL 55 N -3.32 1.39 0.29 -1.27 -7.23 0.12 -4.28 120.40 106.10 2jx9 s VAL 55 Ca 0.62 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 2jx9 s VAL 55 Cb -0.14 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.48 2jx9 s VAL 55 CO 0.52 0.13 1.27 -0.63 -0.31 0.00 0.00 175.10 176.09 2jx9 s ILE 56 N -0.79 2.98 -0.30 -0.62 1.01 0.31 -1.66 121.20 122.13 2jx9 s ILE 56 Ca 0.05 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 2jx9 s ILE 56 Cb -0.08 -3.59 0.10 0.00 0.01 0.00 0.00 42.46 38.90 2jx9 s ILE 56 CO 0.01 0.20 0.09 0.00 0.00 0.00 0.00 174.94 175.25 2jx9 s MET 57 N -1.26 0.68 0.05 2.79 0.23 0.59 -0.76 119.30 121.63 2jx9 s MET 57 Ca 0.50 -1.00 -0.31 0.00 -1.03 0.00 0.00 55.69 53.86 2jx9 s MET 57 Cb -0.38 -1.94 -0.08 0.00 -1.53 0.00 0.00 34.83 30.90 2jx9 s MET 57 CO 0.47 -0.97 1.60 0.08 -2.03 0.00 0.00 175.02 174.17 2jx9 s VAL 58 N 1.66 3.20 -0.24 5.16 1.01 -1.26 -1.76 120.40 128.17 2jx9 s VAL 58 Ca 0.09 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.60 2jx9 s VAL 58 Cb -0.17 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 2jx9 s VAL 58 CO -0.25 -0.00 -0.29 -0.62 0.00 0.00 0.00 175.10 173.94 2jx9 n GLU 59 N 5.57 0.52 -3.76 2.72 1.02 -0.63 -4.94 120.64 121.15 2jx9 n GLU 59 Ca 0.15 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2jx9 n GLU 59 Cb 0.41 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 2jx9 n GLU 59 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jx9 s ASN 60 N -6.96 -0.21 -0.04 1.62 0.01 -0.94 -5.04 114.94 103.39 2jx9 s ASN 60 Ca -0.33 0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.66 2jx9 s ASN 60 Cb 0.12 0.34 0.09 0.00 0.41 0.00 0.00 41.25 42.21 2jx9 s ASN 60 CO 0.45 -0.43 0.80 0.00 -1.51 0.00 0.00 177.10 176.41 2jx9 s ALA 61 N -1.23 -1.80 -0.14 0.60 0.00 -1.26 0.10 121.76 118.03 2jx9 s ALA 61 Ca -0.13 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 2jx9 s ALA 61 Cb -0.05 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.15 2jx9 s ALA 61 CO 0.04 -0.49 0.37 1.21 0.00 0.00 0.00 175.76 176.89 2jx9 s ASN 62 N -1.70 -0.39 -0.24 0.00 2.47 -0.42 -3.58 114.94 111.07 2jx9 s ASN 62 Ca -0.03 0.75 -0.04 0.00 0.42 0.00 0.00 52.86 53.96 2jx9 s ASN 62 Cb -0.01 0.75 0.00 0.00 -1.45 0.00 0.00 41.25 40.55 2jx9 s ASN 62 CO -0.00 -0.13 -0.02 -0.47 -3.72 0.00 0.00 177.10 172.76 2jx9 s TYR 63 N 0.26 3.02 0.00 0.43 5.04 -1.26 -1.87 117.35 122.98 2jx9 s TYR 63 Ca -0.01 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 2jx9 s TYR 63 Cb -0.03 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.15 2jx9 s TYR 63 CO -0.00 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.04 2jx9 n GLY 64 N 4.79 -0.53 3.39 8.97 0.00 0.14 -3.20 105.19 118.75 2jx9 n GLY 64 Ca -0.17 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.37 0.41 0.00 1.61 3.52 -0.86 0.14 118.95 122.40 2jx9 s ARG 65 Ca 0.00 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 2jx9 s ARG 65 Cb 0.00 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 33.89 2jx9 s ARG 65 CO 0.00 -0.23 0.92 0.25 -0.81 0.00 0.00 175.30 175.43 2jx9 n THR 66 N 5.38 0.85 -3.29 4.11 -2.24 -1.26 -0.75 114.28 117.09 2jx9 n THR 66 Ca -0.10 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 2jx9 n THR 66 Cb 0.49 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.43 0.00 0.00 3.42 2.03 -1.26 -4.76 116.55 115.55 2jx9 n ASP 67 Ca 0.00 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.85 2jx9 n ASP 67 Cb 0.25 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.22 0.00 -0.93 1.67 5.68 -1.26 -4.47 116.55 116.01 2jx9 n ASP 68 Ca 0.00 -0.85 0.09 0.00 -0.50 0.00 0.00 54.79 53.53 2jx9 n ASP 68 Cb 0.00 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.16 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 2.29 -4.40 0.11 5.02 -1.26 -4.88 118.16 115.04 2jx9 n LYS 69 Ca 0.00 -2.08 -0.34 0.00 -2.02 0.00 0.00 58.31 53.87 2jx9 n LYS 69 Cb 0.21 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.22 4.14 -0.78 -0.18 -1.09 -1.26 -4.65 121.20 116.16 2jx9 s ILE 70 Ca 0.32 -0.30 -0.00 0.00 -2.23 0.00 0.00 60.65 58.43 2jx9 s ILE 70 Cb 0.18 -2.76 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 2jx9 s ILE 70 CO 0.25 0.57 0.68 0.00 -1.23 0.00 0.00 174.94 175.20 2jx9 n ASP 72 N -2.05 1.48 -1.11 0.00 5.75 -1.26 -4.89 116.55 114.47 2jx9 n ASP 72 Ca -0.09 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 2jx9 n ASP 72 Cb 0.56 -1.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 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 11.74 0.00 -1.76 2.12 0.00 -1.26 -5.10 120.51 126.25 2jx9 n ALA 73 Ca 0.49 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.54 2jx9 n ALA 73 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.12 5.66 0.25 0.00 -4.77 -1.26 -4.83 116.67 111.60 2jx9 s ASP 74 Ca 0.00 2.77 -0.05 0.00 -3.30 0.00 0.00 52.55 51.97 2jx9 s ASP 74 Cb 0.00 -2.64 0.28 0.00 -1.09 0.00 0.00 42.92 39.47 2jx9 s ASP 74 CO 0.00 -1.30 1.89 1.55 0.70 0.00 0.00 175.17 178.00 2jx9 h PRO 75 N 1.93 1.21 -0.18 2.11 0.13 -1.99 -0.06 132.00 135.15 2jx9 h PRO 75 Ca -0.51 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 2jx9 h PRO 75 Cb 1.28 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2jx9 h PRO 75 CO 0.59 0.86 -0.02 0.74 -0.23 0.00 0.00 178.00 179.94 2jx9 h PHE 76 N 1.22 0.26 0.00 1.56 0.04 -1.96 0.20 116.94 118.26 2jx9 h PHE 76 Ca 0.31 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2jx9 h PHE 76 Cb -0.02 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.05 2jx9 h PHE 76 CO 0.01 0.30 -0.53 1.04 -0.60 0.00 0.00 178.31 178.52 2jx9 n GLN 77 N -4.36 0.09 0.00 1.51 6.02 -0.80 -3.81 117.38 116.03 2jx9 n GLN 77 Ca -0.00 0.02 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 2jx9 n GLN 77 Cb 0.19 -1.55 0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.69 1.59 -0.09 -1.09 2.81 -0.10 -0.76 117.12 117.79 2jx9 n MET 78 Ca 0.05 -1.18 -0.11 0.00 -1.81 0.00 0.00 57.70 54.64 2jx9 n MET 78 Cb 0.37 -1.35 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 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 2.71 0.51 -6.37 0.03 5.08 -0.78 -3.42 114.58 112.33 2jx9 h GLU 79 Ca 0.00 -0.18 -0.57 0.00 -1.00 0.00 0.00 59.36 57.61 2jx9 h GLU 79 Cb 0.68 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 2jx9 h GLU 79 CO 0.00 0.69 0.83 1.21 -1.00 0.00 0.00 179.01 180.74 2jx9 s ASN 80 N -6.06 6.82 -0.47 1.42 2.47 -1.26 -4.90 114.94 112.96 2jx9 s ASN 80 Ca -0.13 0.83 0.03 0.00 0.42 0.00 0.00 52.86 54.01 2jx9 s ASN 80 Cb 0.08 -2.53 0.54 0.00 -1.45 0.00 0.00 41.25 37.89 2jx9 s ASN 80 CO 0.76 -0.97 1.78 1.33 -3.72 0.00 0.00 177.10 176.28 2jx9 n VAL 81 N 6.13 3.13 -3.40 -5.21 0.24 -1.26 -4.76 118.33 113.20 2jx9 n VAL 81 Ca 0.11 -2.66 -0.25 0.00 -2.04 0.00 0.00 64.34 59.50 2jx9 n VAL 81 Cb 0.48 -0.72 -0.10 0.00 -1.47 0.00 0.00 33.84 32.03 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 -3.49 0.67 -0.13 7.34 -1.52 -1.00 -4.19 119.66 117.35 2jx9 s GLN 82 Ca 0.56 -1.39 -0.04 0.00 -1.95 0.00 0.00 55.36 52.54 2jx9 s GLN 82 Cb 0.47 -1.14 0.06 0.00 -0.22 0.00 0.00 33.01 32.18 2jx9 s GLN 82 CO 0.04 -1.25 0.22 0.00 -0.25 0.00 0.00 175.29 174.04 2jx9 s TYR 84 N 2.35 1.26 -0.39 0.00 1.51 -1.26 -2.02 117.35 118.80 2jx9 s TYR 84 Ca 0.03 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.54 2jx9 s TYR 84 Cb -0.13 -0.67 0.16 0.00 -0.11 0.00 0.00 41.96 41.21 2jx9 s TYR 84 CO -0.08 0.09 0.33 -1.17 -1.11 0.00 0.00 175.55 173.60 2jx9 s LEU 85 N -2.34 0.70 0.22 -1.29 2.96 -1.19 -4.85 118.68 112.88 2jx9 s LEU 85 Ca 0.06 -2.32 -0.13 0.00 -0.22 0.00 0.00 54.13 51.52 2jx9 s LEU 85 Cb -0.05 -0.02 0.26 0.00 0.50 0.00 0.00 46.19 46.88 2jx9 s LEU 85 CO 0.02 -0.23 1.62 -0.65 -1.32 0.00 0.00 176.35 175.79 2jx9 h PRO 86 N 6.40 0.00 -0.07 0.98 0.11 -1.91 0.60 132.00 138.11 2jx9 h PRO 86 Ca 0.13 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.26 2jx9 h PRO 86 Cb 0.98 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jx9 h PRO 86 CO 0.27 0.00 0.14 -0.44 -0.21 0.00 0.00 178.00 177.75 2jx9 h ASP 87 N 0.00 0.00 -0.85 -2.05 5.19 -1.96 -1.26 116.42 115.48 2jx9 h ASP 87 Ca 0.32 0.00 0.22 0.00 -0.62 0.00 0.00 57.03 56.95 2jx9 h ASP 87 Cb 0.49 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.95 2jx9 h ASP 87 CO -0.69 0.00 0.59 0.00 -3.12 0.00 0.00 179.24 176.02 2jx9 h ALA 88 N 1.80 2.46 -0.54 3.45 0.00 -1.16 0.19 119.26 125.46 2jx9 h ALA 88 Ca 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2jx9 h ALA 88 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jx9 h ALA 88 CO -0.00 -0.72 0.11 0.35 0.00 0.00 0.00 179.25 178.99 2jx9 h PHE 89 N 0.22 0.94 -0.53 0.00 3.57 -1.28 -2.56 116.94 117.30 2jx9 h PHE 89 Ca 0.43 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.70 2jx9 h PHE 89 Cb 1.34 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2jx9 h PHE 89 CO -0.00 0.82 -0.08 1.57 -2.23 0.00 0.00 178.31 178.39 2jx9 h LYS 90 N 0.78 0.96 -0.22 1.11 2.10 -0.80 0.30 116.57 120.80 2jx9 h LYS 90 Ca 0.17 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2jx9 h LYS 90 Cb 0.37 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 2jx9 h LYS 90 CO 0.01 0.99 0.14 0.82 -2.00 0.00 0.00 179.45 179.41 2jx9 h ILE 91 N 0.86 1.08 -0.28 0.07 2.04 -1.26 -0.86 117.51 119.16 2jx9 h ILE 91 Ca 0.14 -0.17 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 2jx9 h ILE 91 Cb 0.62 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2jx9 h ILE 91 CO 0.04 0.07 -0.44 0.24 0.00 0.00 0.00 178.15 178.07 2jx9 h MET 92 N 0.28 0.70 -0.33 2.37 2.86 -1.37 -2.40 114.93 117.04 2jx9 h MET 92 Ca 0.08 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2jx9 h MET 92 Cb -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2jx9 h MET 92 CO -0.02 1.00 0.21 0.77 1.06 0.00 0.00 176.91 179.94 2jx9 h SER 93 N 0.57 0.39 -0.31 1.22 0.02 -0.67 0.20 113.55 114.96 2jx9 h SER 93 Ca 0.04 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2jx9 h SER 93 Cb 0.98 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2jx9 h SER 93 CO 0.09 0.30 -0.02 1.56 -1.14 0.00 0.00 176.83 177.62 2jx9 h GLN 94 N 0.44 0.68 0.02 3.45 4.20 -1.13 0.31 115.11 123.09 2jx9 h GLN 94 Ca 0.12 -0.18 -0.21 0.00 0.06 0.00 0.00 58.65 58.44 2jx9 h GLN 94 Cb -0.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2jx9 h GLN 94 CO -0.02 0.71 -1.01 0.00 -0.67 0.00 0.00 178.83 177.84 2jx9 h ARG 95 N 0.64 0.05 0.00 1.46 3.08 -0.98 -3.38 114.38 115.25 2jx9 h ARG 95 Ca 0.13 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jx9 h ARG 95 Cb 0.43 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jx9 h ARG 95 CO 0.02 1.01 -1.37 0.00 -1.07 0.00 0.00 179.97 178.56 2jx9 n ASN 97 N -1.79 3.09 -0.32 0.00 3.02 0.11 -1.26 115.26 118.10 2jx9 n ASN 97 Ca -0.02 1.10 -0.04 0.00 -0.03 0.00 0.00 54.58 55.59 2jx9 n ASN 97 Cb 0.22 -1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 37.94 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 3.07 -4.50 -4.53 6.41 4.13 0.06 -4.95 115.26 114.95 2jx9 n ASN 98 Ca 0.15 0.10 -0.31 0.00 1.68 0.00 0.00 54.58 56.21 2jx9 n ASN 98 Cb 0.30 -2.37 -0.11 0.00 -1.54 0.00 0.00 39.78 36.05 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 -1.78 2.19 0.34 3.52 0.52 -0.39 -4.78 118.95 118.58 2jx9 s ARG 99 Ca 0.00 -0.94 0.14 0.00 -0.52 0.00 0.00 55.73 54.41 2jx9 s ARG 99 Cb 0.00 -2.30 0.62 0.00 0.52 0.00 0.00 34.95 33.79 2jx9 s ARG 99 CO 0.00 0.54 1.75 1.15 0.02 0.00 0.00 175.30 178.76 2jx9 h THR 100 N 3.68 1.23 -3.27 0.02 2.02 -1.85 0.89 112.91 115.62 2jx9 h THR 100 Ca -0.48 -1.58 -0.06 0.00 0.77 0.00 0.00 66.41 65.05 2jx9 h THR 100 Cb 1.16 1.88 -0.14 0.00 -1.74 0.00 0.00 68.15 69.31 2jx9 h THR 100 CO 0.50 0.44 -0.08 0.00 0.37 0.00 0.00 175.52 176.75 2jx9 s GLN 101 N -3.88 1.02 -0.22 6.66 -2.07 -1.26 0.69 119.66 120.60 2jx9 s GLN 101 Ca -0.02 -0.59 -0.20 0.00 -1.82 0.00 0.00 55.36 52.73 2jx9 s GLN 101 Cb 0.13 0.45 0.06 0.00 -1.09 0.00 0.00 33.01 32.56 2jx9 s GLN 101 CO 0.72 -0.39 0.59 0.00 -1.32 0.00 0.00 175.29 174.90 2jx9 s VAL 103 N 0.43 2.13 0.01 0.00 1.01 -1.26 -1.71 120.40 121.01 2jx9 s VAL 103 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2jx9 s VAL 103 Cb -0.04 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2jx9 s VAL 103 CO -0.01 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.90 2jx9 s VAL 104 N 0.60 0.39 -0.34 2.92 1.01 -0.94 -4.97 120.40 119.07 2jx9 s VAL 104 Ca -0.12 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 2jx9 s VAL 104 Cb -0.17 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.83 2jx9 s VAL 104 CO 0.03 -0.10 1.25 -0.69 0.00 0.00 0.00 175.10 175.58 2jx9 s VAL 105 N -0.62 4.20 0.00 2.92 1.01 -1.26 -0.49 120.40 126.16 2jx9 s VAL 105 Ca -0.03 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2jx9 s VAL 105 Cb -0.05 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jx9 s VAL 105 CO -0.00 -0.58 0.95 0.00 0.00 0.00 0.00 175.10 175.48 2jx9 n ALA 106 N 7.62 2.65 -2.00 5.51 0.00 -0.63 -4.55 120.51 129.11 2jx9 n ALA 106 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 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 1.42 -0.10 3.15 0.00 0.00 -1.26 -2.42 105.19 105.98 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 -0.55 113.62 116.30 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 -1.80 0.00 0.11 -3.46 8.00 -1.26 -2.10 116.55 116.03 2jx9 n ASP 109 Ca 0.00 -0.56 0.12 0.00 0.71 0.00 0.00 54.79 55.07 2jx9 n ASP 109 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.37 2jx9 n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jx9 h ALA 110 N 2.60 0.83 -3.19 2.24 0.00 -1.41 -3.44 119.26 116.89 2jx9 h ALA 110 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2jx9 h ALA 110 Cb 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.46 2jx9 h ALA 110 CO 0.00 0.00 -0.61 -0.06 0.00 0.00 0.00 179.25 178.58 2jx9 s PHE 111 N -3.15 -0.17 0.00 0.00 0.08 0.28 -4.90 117.98 110.13 2jx9 s PHE 111 Ca 0.08 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.66 2jx9 s PHE 111 Cb 0.12 -0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 2jx9 s PHE 111 CO 0.66 -0.21 0.00 -2.30 -0.10 0.00 0.00 175.22 173.27 2jx9 n PRO 112 N 4.63 3.22 -3.33 0.24 -0.02 -1.26 -4.63 135.00 133.84 2jx9 n PRO 112 Ca -0.18 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.06 2jx9 n PRO 112 Cb 0.51 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 -2.40 1.37 0.00 2.55 -1.08 -1.26 -4.97 116.67 110.88 2jx9 s ASP 113 Ca 0.00 -2.55 0.17 0.00 -0.52 0.00 0.00 52.55 49.65 2jx9 s ASP 113 Cb 0.00 -0.04 0.88 0.00 -1.46 0.00 0.00 42.92 42.30 2jx9 s ASP 113 CO 0.00 -0.20 1.50 -0.81 0.52 0.00 0.00 175.17 176.18 2jx9 n PRO 114 N 3.28 0.27 -2.71 4.34 -0.04 -1.26 -4.18 135.00 134.70 2jx9 n PRO 114 Ca 0.23 0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2jx9 n PRO 114 Cb 0.46 -1.50 0.05 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 2.09 1.84 -0.10 0.00 -0.02 -1.26 -2.28 135.00 135.26 2jx9 n PRO 116 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2jx9 n PRO 116 Cb 0.64 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.79 1.59 3.50 -1.23 0.00 -1.26 -5.03 105.19 103.56 2jx9 n GLY 117 Ca 0.08 0.00 -0.30 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 -2.68 2.96 -0.38 2.61 2.01 -0.97 -4.42 115.64 114.78 2jx9 s THR 118 Ca 0.00 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.38 2jx9 s THR 118 Cb 0.00 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.20 2jx9 s THR 118 CO 0.00 0.18 1.05 -0.47 -0.69 0.00 0.00 174.62 174.68 2jx9 s TYR 119 N -1.09 3.03 0.00 4.92 5.04 0.06 -4.98 117.35 124.33 2jx9 s TYR 119 Ca 0.18 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 2jx9 s TYR 119 Cb -0.11 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.31 2jx9 s TYR 119 CO 0.09 -0.93 0.00 1.63 -1.34 0.00 0.00 175.55 175.00 2jx9 n LYS 120 N 7.12 1.98 -3.79 4.97 5.02 -1.26 -4.71 118.16 127.49 2jx9 n LYS 120 Ca 0.10 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2jx9 n LYS 120 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2jx9 n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jx9 s TYR 121 N 1.11 -0.01 -0.11 2.13 -0.85 0.37 -2.24 117.35 117.75 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 -0.42 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.34 2jx9 s LEU 122 N -3.32 1.38 -0.13 -3.49 2.96 -0.78 -0.68 118.68 114.62 2jx9 s LEU 122 Ca 0.20 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2jx9 s LEU 122 Cb 0.01 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.81 2jx9 s LEU 122 CO -0.01 -0.07 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.05 2jx9 s GLU 123 N 1.44 2.74 -0.07 1.98 2.12 -0.78 -1.90 118.70 124.24 2jx9 s GLU 123 Ca 0.01 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.60 2jx9 s GLU 123 Cb -0.13 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 32.03 2jx9 s GLU 123 CO -0.06 -0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 174.64 2jx9 s VAL 124 N 0.87 0.83 -0.21 3.70 1.01 -0.50 -1.31 120.40 124.79 2jx9 s VAL 124 Ca -0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2jx9 s VAL 124 Cb -0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2jx9 s VAL 124 CO -0.02 0.30 0.05 -1.10 0.00 0.00 0.00 175.10 174.33 2jx9 s GLN 125 N 1.03 3.75 0.22 2.72 1.11 0.11 -1.90 119.66 126.71 2jx9 s GLN 125 Ca -0.09 -0.44 -0.11 0.00 0.01 0.00 0.00 55.36 54.73 2jx9 s GLN 125 Cb -0.14 -3.22 -0.01 0.00 -1.01 0.00 0.00 33.01 28.63 2jx9 s GLN 125 CO -0.00 0.02 0.40 1.52 0.01 0.00 0.00 175.29 177.24 2jx9 s TYR 126 N 1.03 0.41 0.25 0.91 -0.85 -0.28 -1.60 117.35 117.22 2jx9 s TYR 126 Ca 0.03 -0.76 0.08 0.00 -0.52 0.00 0.00 57.07 55.91 2jx9 s TYR 126 Cb -0.14 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.22 2jx9 s TYR 126 CO 0.03 -0.88 -0.13 -0.51 -1.52 0.00 0.00 175.55 172.53 2jx9 s ASP 127 N -3.01 2.89 -0.30 -0.18 1.11 -0.72 -0.44 116.67 116.02 2jx9 s ASP 127 Ca 0.22 -1.08 -0.06 0.00 0.18 0.00 0.00 52.55 51.81 2jx9 s ASP 127 Cb 0.01 -0.19 0.02 0.00 1.07 0.00 0.00 42.92 43.84 2jx9 s ASP 127 CO 0.06 -0.17 0.06 0.00 1.18 0.00 0.00 175.17 176.30 2jx9 s VAL 129 N 1.43 2.66 0.65 0.00 -7.23 -0.66 -4.80 120.40 112.45 2jx9 s VAL 129 Ca 0.00 -2.27 -0.18 0.00 -1.81 0.00 0.00 61.98 57.72 2jx9 s VAL 129 Cb -0.18 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 2jx9 s VAL 129 CO 0.01 -0.37 1.19 -2.65 -0.31 0.00 0.00 175.10 172.98 2jx9 n PRO 130 N -0.58 1.00 0.10 4.82 -0.02 -1.26 0.12 135.00 139.18 2jx9 n PRO 130 Ca -0.06 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.94 2jx9 n PRO 130 Cb 0.59 -2.42 0.44 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.94 0.81 -3.40 6.00 9.36 -1.26 -4.72 117.16 122.01 2jx9 n TYR 131 Ca 0.15 0.25 -0.38 0.00 3.32 0.00 0.00 57.90 61.24 2jx9 n TYR 131 Cb 0.48 -0.91 -0.06 0.00 -0.63 0.00 0.00 39.34 38.22 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 -3.13 4.05 -0.04 2.98 1.02 -1.26 -5.07 119.74 118.28 2jx9 s LYS 132 Ca 0.10 0.55 -0.15 0.00 0.02 0.00 0.00 55.97 56.49 2jx9 s LYS 132 Cb 0.12 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 2jx9 s LYS 132 CO 0.55 0.65 0.39 0.54 -0.92 0.00 0.00 175.35 176.56 2jx9 s VAL 133 N -1.04 5.11 0.00 3.17 0.11 -1.26 -5.19 120.40 121.29 2jx9 s VAL 133 Ca 0.26 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.10 2jx9 s VAL 133 Cb -0.18 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2jx9 s VAL 133 CO 0.16 0.52 0.00 -0.62 -3.33 0.00 0.00 175.10 171.83