#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 s LEU 30 N 0.00 3.48 0.00 0.99 2.34 -1.26 -5.09 118.68 119.14 2jx9 s LEU 30 Ca 0.00 -3.53 0.00 0.00 0.06 0.00 0.00 54.13 50.66 2jx9 s LEU 30 Cb 0.00 -1.17 0.00 0.00 -0.56 0.00 0.00 46.19 44.46 2jx9 s LEU 30 CO 0.00 -0.12 0.00 -2.65 -1.06 0.00 0.00 176.35 172.52 2jx9 n PRO 31 N 2.34 0.00 -2.38 1.48 -0.02 -1.26 -4.95 135.00 130.21 2jx9 n PRO 31 Ca 0.23 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 2jx9 n PRO 31 Cb 0.40 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.93 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 0.00 0.01 0.00 6.00 3.01 -1.26 -5.00 117.46 120.22 2jx9 n PHE 32 Ca 0.00 -1.58 0.00 0.00 1.01 0.00 0.00 57.45 56.88 2jx9 n PHE 32 Cb 0.00 0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2jx9 n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jx9 n GLY 33 N -0.61 0.58 2.78 1.37 0.00 -1.26 -4.52 105.19 103.52 2jx9 n GLY 33 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.75 0.17 0.99 1.43 -1.26 -5.13 118.68 114.13 2jx9 s LEU 34 Ca 0.00 -1.78 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 2jx9 s LEU 34 Cb 0.00 1.30 0.00 0.00 0.03 0.00 0.00 46.19 47.52 2jx9 s LEU 34 CO 0.00 -0.12 0.00 0.23 0.23 0.00 0.00 176.35 176.69 2jx9 n MET 35 N 3.39 -1.38 -3.35 1.70 2.81 -1.26 -4.68 117.12 114.35 2jx9 n MET 35 Ca 0.18 0.93 -0.38 0.00 -1.81 0.00 0.00 57.70 56.62 2jx9 n MET 35 Cb 0.53 -1.72 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.83 4.11 -0.05 0.03 1.81 -0.30 -4.50 118.95 118.22 2jx9 s ARG 36 Ca 0.00 0.62 -0.04 0.00 -1.72 0.00 0.00 55.73 54.59 2jx9 s ARG 36 Cb 0.00 -3.24 0.02 0.00 -0.45 0.00 0.00 34.95 31.28 2jx9 s ARG 36 CO 0.00 0.64 0.12 0.50 -0.68 0.00 0.00 175.30 175.88 2jx9 s ARG 37 N -1.04 0.13 -0.00 3.54 3.52 -1.26 -0.92 118.95 122.90 2jx9 s ARG 37 Ca 0.27 0.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 2jx9 s ARG 37 Cb -0.18 0.03 -0.00 0.00 -1.56 0.00 0.00 34.95 33.23 2jx9 s ARG 37 CO 0.17 -0.04 -0.06 -1.21 -0.81 0.00 0.00 175.30 173.35 2jx9 s GLU 38 N 0.23 0.46 -0.01 5.12 8.01 -0.48 -5.00 118.70 127.02 2jx9 s GLU 38 Ca -0.01 -0.20 0.01 0.00 0.01 0.00 0.00 54.97 54.77 2jx9 s GLU 38 Cb -0.02 -0.44 0.01 0.00 -4.31 0.00 0.00 34.13 29.36 2jx9 s GLU 38 CO -0.01 0.12 -0.02 -1.17 0.01 0.00 0.00 175.26 174.19 2jx9 s LEU 39 N -0.12 1.72 0.01 1.80 0.20 -1.26 -0.73 118.68 120.29 2jx9 s LEU 39 Ca 0.02 -0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.81 2jx9 s LEU 39 Cb -0.02 -0.17 -0.01 0.00 -0.43 0.00 0.00 46.19 45.56 2jx9 s LEU 39 CO -0.00 -0.01 -0.04 0.00 -0.29 0.00 0.00 176.35 176.01 2jx9 s ALA 40 N 0.31 0.29 0.36 5.97 0.00 -0.55 -4.98 121.76 123.16 2jx9 s ALA 40 Ca -0.03 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 2jx9 s ALA 40 Cb -0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 2jx9 s ALA 40 CO -0.01 0.03 1.33 0.00 0.00 0.00 0.00 175.76 177.11 2jx9 n GLU 42 N 0.55 1.07 0.00 0.00 2.13 -0.95 -1.00 120.64 122.44 2jx9 n GLU 42 Ca 0.01 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2jx9 n GLU 42 Cb 0.42 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.10 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 2.54 1.39 3.75 8.31 0.00 -0.77 -4.93 105.19 115.48 2jx9 n GLY 43 Ca 0.19 0.00 -0.30 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 -2.34 3.13 0.55 1.61 1.51 -0.17 -4.78 117.35 116.86 2jx9 s TYR 44 Ca 0.00 0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.93 2jx9 s TYR 44 Cb 0.00 -1.59 -0.06 0.00 -0.11 0.00 0.00 41.96 40.20 2jx9 s TYR 44 CO 0.00 0.51 1.06 -1.25 -1.11 0.00 0.00 175.55 174.76 2jx9 s PRO 45 N -2.37 3.49 0.01 -1.71 0.04 -1.26 -1.25 135.00 131.95 2jx9 s PRO 45 Ca 0.28 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.69 2jx9 s PRO 45 Cb -0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 2jx9 s PRO 45 CO 0.21 -0.68 -0.22 -1.50 0.04 0.00 0.00 177.00 174.84 2jx9 s ILE 46 N -2.23 1.79 -0.09 0.56 2.07 0.15 -4.81 121.20 118.64 2jx9 s ILE 46 Ca 0.66 -1.10 0.03 0.00 -1.41 0.00 0.00 60.65 58.82 2jx9 s ILE 46 Cb -0.17 -1.52 0.01 0.00 0.13 0.00 0.00 42.46 40.92 2jx9 s ILE 46 CO 0.30 0.38 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.83 2jx9 s GLU 47 N -0.85 2.40 0.02 3.50 2.12 -1.26 -1.44 118.70 123.19 2jx9 s GLU 47 Ca 0.09 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.82 2jx9 s GLU 47 Cb -0.09 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 2jx9 s GLU 47 CO 0.00 0.07 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.17 2jx9 s LEU 48 N 0.61 2.94 -0.15 2.70 1.43 -0.13 -4.97 118.68 121.12 2jx9 s LEU 48 Ca -0.14 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2jx9 s LEU 48 Cb -0.16 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.39 2jx9 s LEU 48 CO 0.04 0.27 0.38 -0.13 0.23 0.00 0.00 176.35 177.14 2jx9 s ARG 49 N -1.47 0.40 0.06 1.70 0.52 -1.26 -1.75 118.95 117.16 2jx9 s ARG 49 Ca 0.16 0.63 0.01 0.00 -0.52 0.00 0.00 55.73 56.01 2jx9 s ARG 49 Cb -0.11 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 2jx9 s ARG 49 CO 0.07 -0.10 0.14 0.00 0.02 0.00 0.00 175.30 175.43 2jx9 s PRO 51 N -2.40 2.47 4.07 0.00 0.04 -1.26 -4.75 135.00 133.17 2jx9 s PRO 51 Ca 0.31 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2jx9 s PRO 51 Cb -0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2jx9 s PRO 51 CO 0.24 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 176.22 2jx9 n GLY 52 N -1.49 3.16 0.79 0.56 0.00 -1.26 -1.57 105.19 105.39 2jx9 n GLY 52 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 3.96 3.09 -4.84 1.61 3.41 -1.26 -5.03 113.62 114.55 2jx9 n SER 53 Ca 0.00 -3.29 -0.29 0.00 -0.26 0.00 0.00 58.87 55.03 2jx9 n SER 53 Cb 0.00 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.35 4.11 0.06 4.04 1.01 -0.61 -3.85 116.67 119.08 2jx9 s ASP 54 Ca 0.41 0.83 0.06 0.00 0.71 0.00 0.00 52.55 54.56 2jx9 s ASP 54 Cb 0.35 -1.34 -0.03 0.00 1.01 0.00 0.00 42.92 42.91 2jx9 s ASP 54 CO 0.04 -2.16 -0.18 0.68 0.21 0.00 0.00 175.17 173.77 2jx9 s VAL 55 N -3.48 1.44 0.26 -1.27 -7.23 0.06 -4.27 120.40 105.90 2jx9 s VAL 55 Ca 0.63 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 2jx9 s VAL 55 Cb -0.12 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 2jx9 s VAL 55 CO 0.51 0.03 1.30 -0.63 -0.31 0.00 0.00 175.10 175.99 2jx9 s ILE 56 N -0.96 3.02 -0.33 -0.62 1.01 0.40 -2.40 121.20 121.33 2jx9 s ILE 56 Ca 0.04 0.92 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 2jx9 s ILE 56 Cb -0.09 -3.59 0.11 0.00 0.01 0.00 0.00 42.46 38.90 2jx9 s ILE 56 CO 0.02 0.17 0.12 0.00 0.00 0.00 0.00 174.94 175.26 2jx9 s MET 57 N -0.84 0.75 0.05 2.79 0.23 -0.29 -0.70 119.30 121.29 2jx9 s MET 57 Ca 0.53 -1.17 -0.31 0.00 -1.03 0.00 0.00 55.69 53.71 2jx9 s MET 57 Cb -0.38 -1.95 -0.08 0.00 -1.53 0.00 0.00 34.83 30.89 2jx9 s MET 57 CO 0.44 -1.02 1.68 0.08 -2.03 0.00 0.00 175.02 174.17 2jx9 s VAL 58 N 1.46 3.08 -0.22 5.16 1.01 -1.26 -2.40 120.40 127.23 2jx9 s VAL 58 Ca 0.11 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 2jx9 s VAL 58 Cb -0.18 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2jx9 s VAL 58 CO -0.22 -0.01 -0.28 -0.62 0.00 0.00 0.00 175.10 173.98 2jx9 n GLU 59 N 5.92 0.48 -3.81 2.72 1.02 -0.73 -4.95 120.64 121.30 2jx9 n GLU 59 Ca 0.16 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 2jx9 n GLU 59 Cb 0.41 -1.31 -0.11 0.00 -0.02 0.00 0.00 31.44 30.41 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 -6.92 -0.17 -0.07 1.62 0.01 -1.04 -5.04 114.94 103.34 2jx9 s ASN 60 Ca -0.31 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 2jx9 s ASN 60 Cb 0.12 0.38 0.10 0.00 0.41 0.00 0.00 41.25 42.25 2jx9 s ASN 60 CO 0.40 -0.22 0.82 0.00 -1.51 0.00 0.00 177.10 176.59 2jx9 s ALA 61 N -0.52 -1.82 0.00 0.60 0.00 -1.26 0.04 121.76 118.80 2jx9 s ALA 61 Ca -0.06 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.06 2jx9 s ALA 61 Cb -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.96 2jx9 s ALA 61 CO 0.01 -0.42 0.34 1.21 0.00 0.00 0.00 175.76 176.91 2jx9 s ASN 62 N -1.43 -0.21 -0.23 0.00 2.47 -0.34 -3.48 114.94 111.72 2jx9 s ASN 62 Ca -0.05 0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.29 2jx9 s ASN 62 Cb -0.00 0.34 0.04 0.00 -1.45 0.00 0.00 41.25 40.18 2jx9 s ASN 62 CO 0.03 -0.51 -0.13 -0.47 -3.72 0.00 0.00 177.10 172.29 2jx9 s TYR 63 N -1.70 3.04 0.00 0.43 5.04 -1.26 -1.47 117.35 121.43 2jx9 s TYR 63 Ca -0.11 -1.88 0.00 0.00 -2.44 0.00 0.00 57.07 52.64 2jx9 s TYR 63 Cb -0.04 -1.96 0.00 0.00 0.35 0.00 0.00 41.96 40.31 2jx9 s TYR 63 CO 0.02 -0.82 0.00 0.41 -1.34 0.00 0.00 175.55 173.83 2jx9 n GLY 64 N 4.56 -0.62 3.30 8.97 0.00 0.22 -3.42 105.19 118.20 2jx9 n GLY 64 Ca -0.17 -0.30 -0.07 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 -1.50 0.37 0.00 1.61 3.52 -0.84 0.37 118.95 122.49 2jx9 s ARG 65 Ca 0.00 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 2jx9 s ARG 65 Cb 0.00 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 2jx9 s ARG 65 CO 0.00 -0.28 0.56 0.25 -0.81 0.00 0.00 175.30 175.02 2jx9 n THR 66 N 5.40 0.29 -3.89 4.11 -2.24 -1.26 -0.92 114.28 115.77 2jx9 n THR 66 Ca -0.09 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 2jx9 n THR 66 Cb 0.49 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.29 0.07 0.00 3.42 2.15 -1.26 -4.83 116.67 115.92 2jx9 s ASP 67 Ca 0.00 -0.25 0.11 0.00 0.43 0.00 0.00 52.55 52.85 2jx9 s ASP 67 Cb 0.00 0.18 0.12 0.00 -0.30 0.00 0.00 42.92 42.92 2jx9 s ASP 67 CO 0.00 -0.33 0.91 -0.90 -0.17 0.00 0.00 175.17 174.68 2jx9 n ASP 68 N 1.60 2.07 -1.14 -0.34 5.68 -1.26 -4.41 116.55 118.75 2jx9 n ASP 68 Ca -0.22 -1.54 0.10 0.00 -0.50 0.00 0.00 54.79 52.63 2jx9 n ASP 68 Cb 0.56 -0.03 0.25 0.00 -1.14 0.00 0.00 41.12 40.76 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 0.63 2.63 -4.53 0.11 5.02 -1.26 -4.74 118.16 116.02 2jx9 n LYS 69 Ca 0.07 -2.41 -0.34 0.00 -2.02 0.00 0.00 58.31 53.62 2jx9 n LYS 69 Cb 0.30 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.11 3.85 -1.64 -0.18 -1.09 -1.26 -4.38 121.20 115.39 2jx9 s ILE 70 Ca 0.40 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 2jx9 s ILE 70 Cb 0.22 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 2jx9 s ILE 70 CO 0.29 0.58 0.00 0.00 -1.23 0.00 0.00 174.94 174.58 2jx9 n ASP 72 N -1.25 0.00 -1.04 0.00 9.92 -1.26 -4.89 116.55 118.02 2jx9 n ASP 72 Ca -0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 2jx9 n ASP 72 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jx9 n ALA 73 N 0.11 0.00 -1.75 2.24 0.00 -1.26 -5.08 120.51 114.77 2jx9 n ALA 73 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2jx9 n ALA 73 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.46 5.36 0.25 0.00 -4.77 -1.26 -4.83 116.67 110.96 2jx9 s ASP 74 Ca 0.00 2.70 -0.05 0.00 -3.30 0.00 0.00 52.55 51.90 2jx9 s ASP 74 Cb 0.00 -2.63 0.32 0.00 -1.09 0.00 0.00 42.92 39.52 2jx9 s ASP 74 CO 0.00 -1.50 1.89 1.55 0.70 0.00 0.00 175.17 177.81 2jx9 h PRO 75 N 1.51 1.13 -0.55 2.11 0.13 -1.98 -0.58 132.00 133.77 2jx9 h PRO 75 Ca -0.51 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 64.49 2jx9 h PRO 75 Cb 1.29 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2jx9 h PRO 75 CO 0.57 0.75 0.06 0.74 -0.23 0.00 0.00 178.00 179.90 2jx9 h PHE 76 N 1.16 0.94 -0.00 1.56 0.04 -1.96 0.14 116.94 118.81 2jx9 h PHE 76 Ca 0.38 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 61.03 2jx9 h PHE 76 Cb 0.05 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.93 2jx9 h PHE 76 CO -0.01 0.82 -0.15 1.04 -0.60 0.00 0.00 178.31 179.41 2jx9 n GLN 77 N -4.23 0.31 0.00 1.51 6.02 -0.94 -3.02 117.38 117.03 2jx9 n GLN 77 Ca 0.03 -0.09 0.09 0.00 -0.01 0.00 0.00 57.00 57.02 2jx9 n GLN 77 Cb 0.28 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.27 1.61 0.07 -1.09 2.81 -0.27 0.16 117.12 119.15 2jx9 n MET 78 Ca 0.10 -1.39 -0.13 0.00 -1.81 0.00 0.00 57.70 54.47 2jx9 n MET 78 Cb 0.31 -1.35 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 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 3.17 -0.13 -6.57 0.03 5.08 -0.69 -3.41 114.58 112.06 2jx9 h GLU 79 Ca 0.00 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 2jx9 h GLU 79 Cb 0.73 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 2jx9 h GLU 79 CO 0.00 0.06 1.01 1.21 -1.00 0.00 0.00 179.01 180.29 2jx9 s ASN 80 N -5.23 6.47 -0.36 1.42 2.47 -1.26 -4.86 114.94 113.60 2jx9 s ASN 80 Ca -0.14 0.75 0.08 0.00 0.42 0.00 0.00 52.86 53.97 2jx9 s ASN 80 Cb 0.04 -2.54 0.66 0.00 -1.45 0.00 0.00 41.25 37.96 2jx9 s ASN 80 CO 0.65 -1.33 1.76 1.33 -3.72 0.00 0.00 177.10 175.78 2jx9 n VAL 81 N 6.90 2.92 -3.44 -5.21 0.24 -1.26 -4.72 118.33 113.77 2jx9 n VAL 81 Ca 0.15 -1.99 -0.28 0.00 -2.04 0.00 0.00 64.34 60.18 2jx9 n VAL 81 Cb 0.48 -0.39 -0.11 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.15 0.62 -0.10 7.34 -1.52 -0.94 -4.05 119.66 117.86 2jx9 s GLN 82 Ca 0.53 -1.47 -0.04 0.00 -1.95 0.00 0.00 55.36 52.44 2jx9 s GLN 82 Cb 0.44 -1.28 0.05 0.00 -0.22 0.00 0.00 33.01 32.00 2jx9 s GLN 82 CO 0.09 -1.25 0.20 0.00 -0.25 0.00 0.00 175.29 174.09 2jx9 s TYR 84 N 2.24 1.06 -0.39 0.00 1.51 -1.26 -1.98 117.35 118.53 2jx9 s TYR 84 Ca 0.01 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.39 2jx9 s TYR 84 Cb -0.12 -0.58 0.16 0.00 -0.11 0.00 0.00 41.96 41.31 2jx9 s TYR 84 CO -0.07 -0.01 0.39 -1.17 -1.11 0.00 0.00 175.55 173.58 2jx9 s LEU 85 N -2.69 0.16 0.23 -1.29 2.96 -1.22 -4.82 118.68 112.01 2jx9 s LEU 85 Ca 0.09 -1.95 -0.09 0.00 -0.22 0.00 0.00 54.13 51.96 2jx9 s LEU 85 Cb -0.00 0.43 0.37 0.00 0.50 0.00 0.00 46.19 47.49 2jx9 s LEU 85 CO -0.01 -0.22 1.65 -0.65 -1.32 0.00 0.00 176.35 175.80 2jx9 h PRO 86 N 6.55 0.10 0.00 0.98 0.11 -1.92 0.12 132.00 137.95 2jx9 h PRO 86 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2jx9 h PRO 86 Cb 1.03 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2jx9 h PRO 86 CO 0.21 0.07 0.15 -0.44 -0.21 0.00 0.00 178.00 177.79 2jx9 h ASP 87 N 0.11 0.00 -0.71 -2.05 3.32 -1.96 -0.85 116.42 114.28 2jx9 h ASP 87 Ca 0.37 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.52 2jx9 h ASP 87 Cb 0.63 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 2jx9 h ASP 87 CO -0.61 0.00 0.47 0.00 -1.72 0.00 0.00 179.24 177.38 2jx9 h ALA 88 N 1.67 1.89 -0.37 3.45 0.00 -1.04 -1.69 119.26 123.18 2jx9 h ALA 88 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2jx9 h ALA 88 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jx9 h ALA 88 CO 0.00 -0.05 0.06 0.35 0.00 0.00 0.00 179.25 179.61 2jx9 h PHE 89 N 0.57 0.64 -0.52 0.00 3.57 -1.18 -2.66 116.94 117.36 2jx9 h PHE 89 Ca 0.33 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 2jx9 h PHE 89 Cb 0.52 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2jx9 h PHE 89 CO -0.00 0.65 0.14 1.57 -2.23 0.00 0.00 178.31 178.45 2jx9 h LYS 90 N 0.45 0.83 -0.57 1.11 2.10 -1.47 0.78 116.57 119.79 2jx9 h LYS 90 Ca 0.11 -0.19 0.02 0.00 -2.00 0.00 0.00 60.65 58.59 2jx9 h LYS 90 Cb 0.36 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.54 2jx9 h LYS 90 CO 0.01 0.78 0.36 0.82 -2.00 0.00 0.00 179.45 179.41 2jx9 h ILE 91 N 0.72 1.10 -0.33 0.07 2.04 -1.41 -1.84 117.51 117.86 2jx9 h ILE 91 Ca 0.17 -0.25 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 2jx9 h ILE 91 Cb 0.31 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2jx9 h ILE 91 CO -0.00 0.13 -0.45 0.24 0.00 0.00 0.00 178.15 178.07 2jx9 h MET 92 N 0.72 0.90 -0.74 2.37 2.86 -1.29 -2.60 114.93 117.16 2jx9 h MET 92 Ca 0.22 -0.52 0.06 0.00 -2.06 0.00 0.00 59.70 57.41 2jx9 h MET 92 Cb -0.02 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 2jx9 h MET 92 CO -0.08 1.16 0.43 0.77 1.06 0.00 0.00 176.91 180.25 2jx9 h SER 93 N 0.70 0.64 -0.51 1.22 0.02 -0.51 0.41 113.55 115.51 2jx9 h SER 93 Ca 0.04 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2jx9 h SER 93 Cb 1.05 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2jx9 h SER 93 CO 0.11 0.41 -0.03 1.56 -1.14 0.00 0.00 176.83 177.73 2jx9 h GLN 94 N 0.77 0.91 -0.05 3.45 4.20 -1.30 0.32 115.11 123.42 2jx9 h GLN 94 Ca 0.33 -0.31 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 2jx9 h GLN 94 Cb 0.21 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2jx9 h GLN 94 CO -0.19 0.95 -0.74 0.00 -0.67 0.00 0.00 178.83 178.19 2jx9 h ARG 95 N 0.78 0.28 0.00 1.46 3.08 -0.93 -3.36 114.38 115.68 2jx9 h ARG 95 Ca 0.14 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2jx9 h ARG 95 Cb 0.56 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2jx9 h ARG 95 CO 0.03 0.90 -0.93 0.00 -1.07 0.00 0.00 179.97 178.90 2jx9 s ASN 97 N -2.47 6.44 -0.70 0.00 -0.87 0.11 -2.20 114.94 115.26 2jx9 s ASN 97 Ca -0.00 2.86 0.00 0.00 -1.57 0.00 0.00 52.86 54.15 2jx9 s ASN 97 Cb 0.06 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2jx9 s ASN 97 CO 0.38 -0.88 0.00 0.59 -2.57 0.00 0.00 177.10 174.62 2jx9 n ASN 98 N 2.70 -4.95 -4.49 -1.22 4.13 0.12 -4.95 115.26 106.61 2jx9 n ASN 98 Ca 0.10 0.16 -0.30 0.00 1.68 0.00 0.00 54.58 56.22 2jx9 n ASN 98 Cb 0.38 -3.03 -0.12 0.00 -1.54 0.00 0.00 39.78 35.47 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 -2.22 1.89 0.29 3.52 0.52 -0.93 -4.78 118.95 117.24 2jx9 s ARG 99 Ca 0.00 -1.11 0.07 0.00 -0.52 0.00 0.00 55.73 54.18 2jx9 s ARG 99 Cb 0.00 -2.15 0.42 0.00 0.52 0.00 0.00 34.95 33.75 2jx9 s ARG 99 CO 0.00 0.50 1.67 1.15 0.02 0.00 0.00 175.30 178.64 2jx9 h THR 100 N 3.65 1.35 -3.29 0.02 2.02 -1.86 1.16 112.91 115.95 2jx9 h THR 100 Ca -0.49 -1.70 -0.07 0.00 0.77 0.00 0.00 66.41 64.92 2jx9 h THR 100 Cb 1.16 1.84 -0.15 0.00 -1.74 0.00 0.00 68.15 69.26 2jx9 h THR 100 CO 0.47 0.50 -0.15 0.00 0.37 0.00 0.00 175.52 176.71 2jx9 s GLN 101 N -3.97 0.94 -0.17 6.66 -2.07 -1.26 0.06 119.66 119.85 2jx9 s GLN 101 Ca -0.04 -0.57 -0.17 0.00 -1.82 0.00 0.00 55.36 52.76 2jx9 s GLN 101 Cb 0.13 0.41 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 2jx9 s GLN 101 CO 0.77 -0.33 0.49 0.00 -1.32 0.00 0.00 175.29 174.89 2jx9 s VAL 103 N 0.11 1.96 0.01 0.00 1.01 -1.26 -0.95 120.40 121.28 2jx9 s VAL 103 Ca -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2jx9 s VAL 103 Cb -0.03 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2jx9 s VAL 103 CO 0.01 0.53 0.00 -0.69 0.00 0.00 0.00 175.10 174.96 2jx9 s VAL 104 N 0.61 0.08 -0.35 2.92 1.01 -0.52 -4.97 120.40 119.18 2jx9 s VAL 104 Ca -0.13 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2jx9 s VAL 104 Cb -0.17 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.01 2jx9 s VAL 104 CO 0.03 -0.36 1.01 -0.69 0.00 0.00 0.00 175.10 175.09 2jx9 s VAL 105 N -1.08 4.53 0.00 2.92 1.01 -1.26 0.33 120.40 126.85 2jx9 s VAL 105 Ca -0.12 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2jx9 s VAL 105 Cb -0.07 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2jx9 s VAL 105 CO -0.00 -0.53 0.91 0.00 0.00 0.00 0.00 175.10 175.48 2jx9 n ALA 106 N 6.88 2.62 -2.00 5.51 0.00 -0.38 -4.57 120.51 128.57 2jx9 n ALA 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2jx9 n ALA 106 Cb 0.48 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.62 -0.22 2.51 0.00 0.00 -1.26 -1.86 105.19 105.98 2jx9 n GLY 107 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.21 113.62 116.64 2jx9 n SER 108 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2jx9 n SER 108 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.43 0.00 0.09 -3.46 8.00 -1.26 -2.17 116.55 116.31 2jx9 n ASP 109 Ca 0.00 -0.45 0.13 0.00 0.71 0.00 0.00 54.79 55.18 2jx9 n ASP 109 Cb 0.00 -0.03 0.43 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.03 2.33 -3.75 2.24 0.00 -0.53 -4.74 120.51 115.03 2jx9 n ALA 110 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2jx9 n ALA 110 Cb 0.06 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.15 0.00 0.00 0.08 0.70 -4.89 117.98 110.64 2jx9 s PHE 111 Ca 0.11 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.62 2jx9 s PHE 111 Cb 0.13 -0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 2jx9 s PHE 111 CO 0.59 -0.16 0.00 -2.30 -0.10 0.00 0.00 175.22 173.25 2jx9 n PRO 112 N 4.22 2.80 -3.41 0.24 -0.02 -1.26 -4.63 135.00 132.94 2jx9 n PRO 112 Ca -0.27 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 60.98 2jx9 n PRO 112 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.89 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 -2.28 2.15 0.00 2.55 -1.08 -1.26 -4.96 116.67 111.78 2jx9 s ASP 113 Ca 0.00 -1.92 0.30 0.00 -0.52 0.00 0.00 52.55 50.40 2jx9 s ASP 113 Cb 0.00 0.04 1.39 0.00 -1.46 0.00 0.00 42.92 42.89 2jx9 s ASP 113 CO 0.00 -0.29 1.98 -0.81 0.52 0.00 0.00 175.17 176.57 2jx9 n PRO 114 N 4.12 0.42 -2.71 4.34 -0.04 -1.26 -4.49 135.00 135.38 2jx9 n PRO 114 Ca 0.12 -0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2jx9 n PRO 114 Cb 0.41 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.79 1.61 -0.43 0.00 -0.02 -1.26 -2.31 135.00 134.37 2jx9 n PRO 116 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2jx9 n PRO 116 Cb 0.65 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.05 1.17 3.43 -1.23 0.00 -1.26 -5.04 105.19 103.32 2jx9 n GLY 117 Ca 0.08 0.00 -0.29 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 -3.06 2.52 -0.42 2.61 2.01 -0.98 -4.41 115.64 113.92 2jx9 s THR 118 Ca 0.00 -1.55 -0.28 0.00 0.31 0.00 0.00 61.69 60.17 2jx9 s THR 118 Cb 0.00 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.43 2jx9 s THR 118 CO 0.00 0.16 1.06 -0.47 -0.69 0.00 0.00 174.62 174.68 2jx9 s TYR 119 N -1.04 2.95 0.00 4.92 5.04 0.43 -5.00 117.35 124.66 2jx9 s TYR 119 Ca 0.15 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 2jx9 s TYR 119 Cb -0.10 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.14 2jx9 s TYR 119 CO 0.07 -1.05 0.00 1.63 -1.34 0.00 0.00 175.55 174.86 2jx9 n LYS 120 N 7.34 2.30 -3.93 4.97 5.02 -1.26 -4.75 118.16 127.84 2jx9 n LYS 120 Ca 0.10 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.42 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 1.32 0.02 -0.05 2.13 -0.85 0.16 -2.24 117.35 117.83 2jx9 s TYR 121 Ca 0.00 -0.14 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 2jx9 s TYR 121 Cb 0.00 0.56 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2jx9 s TYR 121 CO 0.00 -0.28 -0.05 -1.17 -1.52 0.00 0.00 175.55 172.53 2jx9 s LEU 122 N -3.68 1.24 -0.11 -3.49 2.96 -0.44 -0.61 118.68 114.54 2jx9 s LEU 122 Ca 0.27 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 2jx9 s LEU 122 Cb 0.00 -0.51 0.00 0.00 0.50 0.00 0.00 46.19 46.18 2jx9 s LEU 122 CO -0.01 -0.07 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.02 2jx9 s GLU 123 N 1.11 3.07 -0.08 1.98 2.12 -0.54 -1.49 118.70 124.87 2jx9 s GLU 123 Ca -0.08 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.38 2jx9 s GLU 123 Cb -0.14 -2.33 0.02 0.00 0.26 0.00 0.00 34.13 31.94 2jx9 s GLU 123 CO -0.01 0.16 -0.04 0.08 -0.54 0.00 0.00 175.26 174.91 2jx9 s VAL 124 N 0.39 0.63 -0.17 3.70 1.01 0.09 -1.20 120.40 124.85 2jx9 s VAL 124 Ca -0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2jx9 s VAL 124 Cb -0.18 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2jx9 s VAL 124 CO 0.08 0.29 -0.03 -1.10 0.00 0.00 0.00 175.10 174.33 2jx9 s GLN 125 N 1.57 3.64 0.28 2.72 -0.21 0.11 -1.39 119.66 126.37 2jx9 s GLN 125 Ca -0.00 -0.53 -0.16 0.00 0.02 0.00 0.00 55.36 54.68 2jx9 s GLN 125 Cb -0.13 -2.95 0.01 0.00 1.00 0.00 0.00 33.01 30.94 2jx9 s GLN 125 CO -0.04 0.16 0.61 1.52 -2.12 0.00 0.00 175.29 175.42 2jx9 s TYR 126 N 0.57 0.11 0.19 0.91 -0.85 -0.10 -1.77 117.35 116.42 2jx9 s TYR 126 Ca -0.02 -0.54 0.08 0.00 -0.52 0.00 0.00 57.07 56.07 2jx9 s TYR 126 Cb -0.14 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 2jx9 s TYR 126 CO 0.02 -1.15 -0.15 -0.51 -1.52 0.00 0.00 175.55 172.24 2jx9 s ASP 127 N -2.98 2.55 -0.24 -0.18 1.01 -1.01 -1.15 116.67 114.67 2jx9 s ASP 127 Ca 0.17 -0.99 -0.05 0.00 0.71 0.00 0.00 52.55 52.39 2jx9 s ASP 127 Cb -0.03 -0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.75 2jx9 s ASP 127 CO 0.09 -0.15 0.01 0.00 0.21 0.00 0.00 175.17 175.33 2jx9 s VAL 129 N 1.51 2.67 0.50 0.00 -7.23 -1.01 -4.85 120.40 112.00 2jx9 s VAL 129 Ca 0.05 -2.15 -0.23 0.00 -1.81 0.00 0.00 61.98 57.84 2jx9 s VAL 129 Cb -0.15 -2.36 -0.06 0.00 0.56 0.00 0.00 36.38 34.36 2jx9 s VAL 129 CO -0.00 -0.29 1.40 -2.65 -0.31 0.00 0.00 175.10 173.25 2jx9 n PRO 130 N -0.34 1.97 -1.67 4.82 -0.02 -1.26 -0.76 135.00 137.73 2jx9 n PRO 130 Ca -0.08 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 2jx9 n PRO 130 Cb 0.58 -2.61 0.04 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.24 3.28 0.57 6.00 5.04 -1.25 -4.78 117.35 124.98 2jx9 s TYR 131 Ca 0.67 1.38 -0.05 0.00 -2.44 0.00 0.00 57.07 56.62 2jx9 s TYR 131 Cb -0.43 -2.83 0.01 0.00 0.35 0.00 0.00 41.96 39.06 2jx9 s TYR 131 CO 0.53 -1.05 0.88 0.21 -1.34 0.00 0.00 175.55 174.77 2jx9 s LYS 132 N -5.08 2.96 0.04 4.97 2.20 -1.26 -5.04 119.74 118.52 2jx9 s LYS 132 Ca 0.57 -0.03 -0.26 0.00 -0.36 0.00 0.00 55.97 55.88 2jx9 s LYS 132 Cb -0.13 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 2jx9 s LYS 132 CO 0.55 -0.64 0.82 0.08 -0.36 0.00 0.00 175.35 175.79 2jx9 s VAL 133 N -2.95 4.74 0.00 4.02 1.01 -1.26 -5.24 120.40 120.73 2jx9 s VAL 133 Ca 0.53 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.25 2jx9 s VAL 133 Cb -0.10 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2jx9 s VAL 133 CO 0.45 0.32 0.00 -0.62 0.00 0.00 0.00 175.10 175.24