#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx9 h LEU 30 N 0.00 -0.70 0.00 0.99 -0.00 -2.00 -3.31 115.31 110.29 2jx9 h LEU 30 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2jx9 h LEU 30 Cb 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2jx9 h LEU 30 CO 0.00 -0.24 0.00 -0.81 -0.00 0.00 0.00 178.44 177.39 2jx9 n PRO 31 N -5.37 0.00 0.08 1.13 -0.04 -1.26 -4.81 135.00 124.72 2jx9 n PRO 31 Ca 0.01 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 2jx9 n PRO 31 Cb 0.29 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.62 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 1.00 -2.47 0.54 -1.00 -1.98 -3.48 116.94 109.55 2jx9 h PHE 32 Ca 0.00 -0.61 -0.10 0.00 2.81 0.00 0.00 57.97 60.07 2jx9 h PHE 32 Cb 0.00 -0.09 0.04 0.00 3.61 0.00 0.00 35.95 39.51 2jx9 h PHE 32 CO 0.00 1.45 -0.18 0.41 -1.61 0.00 0.00 178.31 178.38 2jx9 n GLY 33 N 1.32 0.47 0.08 -1.45 0.00 -1.24 -4.86 105.19 99.50 2jx9 n GLY 33 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2jx9 n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jx9 n LEU 34 N -1.72 0.00 -1.61 0.99 0.00 -1.26 -4.78 117.00 108.61 2jx9 n LEU 34 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 56.01 55.45 2jx9 n LEU 34 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2jx9 n LEU 34 CO 0.17 0.53 -0.41 0.23 0.00 0.00 0.00 177.39 177.90 2jx9 n MET 35 N 0.00 -4.12 -3.58 1.96 2.81 -1.26 -4.94 117.12 107.99 2jx9 n MET 35 Ca 0.00 3.07 -0.33 0.00 -1.81 0.00 0.00 57.70 58.64 2jx9 n MET 35 Cb 0.50 -3.56 -0.05 0.00 -0.71 0.00 0.00 33.22 29.40 2jx9 n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jx9 s ARG 36 N -3.52 3.71 -0.15 0.03 0.52 -0.68 -4.99 118.95 113.87 2jx9 s ARG 36 Ca 0.00 0.08 -0.13 0.00 -0.52 0.00 0.00 55.73 55.15 2jx9 s ARG 36 Cb 0.00 -2.84 0.04 0.00 0.52 0.00 0.00 34.95 32.67 2jx9 s ARG 36 CO 0.00 0.46 0.40 0.50 0.02 0.00 0.00 175.30 176.67 2jx9 s ARG 37 N -2.47 0.46 0.03 3.54 3.52 -1.26 -1.75 118.95 121.01 2jx9 s ARG 37 Ca 0.40 0.56 0.03 0.00 -0.13 0.00 0.00 55.73 56.60 2jx9 s ARG 37 Cb -0.12 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 2jx9 s ARG 37 CO 0.22 -0.06 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.33 2jx9 s GLU 38 N 0.28 0.72 -0.01 5.12 8.01 -0.91 -5.02 118.70 126.89 2jx9 s GLU 38 Ca -0.01 -0.64 0.01 0.00 0.01 0.00 0.00 54.97 54.35 2jx9 s GLU 38 Cb -0.03 -0.66 0.00 0.00 -4.31 0.00 0.00 34.13 29.13 2jx9 s GLU 38 CO -0.00 0.16 -0.03 -1.17 0.01 0.00 0.00 175.26 174.22 2jx9 s LEU 39 N -1.04 1.91 0.01 1.80 0.20 -1.26 -1.37 118.68 118.94 2jx9 s LEU 39 Ca -0.01 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 54.75 2jx9 s LEU 39 Cb -0.07 -0.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.47 2jx9 s LEU 39 CO 0.01 0.03 -0.05 0.00 -0.29 0.00 0.00 176.35 176.05 2jx9 s ALA 40 N 0.04 0.34 0.24 5.97 0.00 -0.44 -4.97 121.76 122.94 2jx9 s ALA 40 Ca -0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2jx9 s ALA 40 Cb -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 2jx9 s ALA 40 CO -0.00 0.02 1.34 0.00 0.00 0.00 0.00 175.76 177.11 2jx9 n GLU 42 N 2.22 0.95 0.00 0.00 2.13 -1.01 -1.46 120.64 123.47 2jx9 n GLU 42 Ca 0.05 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2jx9 n GLU 42 Cb 0.42 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.39 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 1.82 2.72 3.69 8.31 0.00 -0.85 -4.92 105.19 115.96 2jx9 n GLY 43 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.38 3.00 0.54 1.61 1.51 -0.53 -4.82 117.35 116.27 2jx9 s TYR 44 Ca 0.00 -0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 55.84 2jx9 s TYR 44 Cb 0.00 -1.54 -0.06 0.00 -0.11 0.00 0.00 41.96 40.25 2jx9 s TYR 44 CO 0.00 0.48 1.14 -1.25 -1.11 0.00 0.00 175.55 174.80 2jx9 s PRO 45 N -2.28 3.38 0.07 -1.71 0.04 -1.26 -2.27 135.00 130.97 2jx9 s PRO 45 Ca 0.26 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.02 2jx9 s PRO 45 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2jx9 s PRO 45 CO 0.18 -0.83 -0.25 -1.50 0.04 0.00 0.00 177.00 174.64 2jx9 s ILE 46 N -1.74 2.02 -0.07 0.56 2.07 0.64 -4.87 121.20 119.81 2jx9 s ILE 46 Ca 0.72 -1.46 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 2jx9 s ILE 46 Cb -0.25 -1.76 0.02 0.00 0.13 0.00 0.00 42.46 40.60 2jx9 s ILE 46 CO 0.28 0.21 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.74 2jx9 s GLU 47 N -1.51 1.34 -0.06 3.50 2.12 -1.26 -1.57 118.70 121.26 2jx9 s GLU 47 Ca 0.11 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.20 2jx9 s GLU 47 Cb -0.10 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 2jx9 s GLU 47 CO 0.03 -0.08 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.07 2jx9 s LEU 48 N 1.03 3.06 -0.08 2.70 1.43 -0.32 -4.98 118.68 121.53 2jx9 s LEU 48 Ca -0.08 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 2jx9 s LEU 48 Cb -0.14 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.45 2jx9 s LEU 48 CO -0.00 0.36 0.20 -0.13 0.23 0.00 0.00 176.35 177.00 2jx9 s ARG 49 N -0.80 0.17 -0.04 1.70 0.52 -1.26 -1.39 118.95 117.85 2jx9 s ARG 49 Ca 0.12 0.40 -0.04 0.00 -0.52 0.00 0.00 55.73 55.69 2jx9 s ARG 49 Cb -0.11 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 2jx9 s ARG 49 CO 0.01 -0.12 0.17 0.00 0.02 0.00 0.00 175.30 175.38 2jx9 s PRO 51 N -1.64 1.74 3.44 0.00 0.04 -1.26 -4.67 135.00 132.65 2jx9 s PRO 51 Ca 0.23 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2jx9 s PRO 51 Cb -0.12 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2jx9 s PRO 51 CO 0.14 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.60 2jx9 n GLY 52 N -0.93 2.74 1.71 0.56 0.00 -1.26 -1.56 105.19 106.44 2jx9 n GLY 52 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.78 4.70 -4.87 1.61 3.41 -1.26 -5.00 113.62 113.99 2jx9 n SER 53 Ca 0.00 -3.16 -0.29 0.00 -0.26 0.00 0.00 58.87 55.15 2jx9 n SER 53 Cb 0.00 -0.69 0.08 0.00 -0.26 0.00 0.00 64.21 63.34 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 -1.27 4.72 0.05 4.04 1.01 -0.60 -3.63 116.67 120.98 2jx9 s ASP 54 Ca 0.52 0.97 0.07 0.00 0.71 0.00 0.00 52.55 54.82 2jx9 s ASP 54 Cb 0.42 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 2jx9 s ASP 54 CO 0.12 -1.79 -0.19 0.68 0.21 0.00 0.00 175.17 174.20 2jx9 s VAL 55 N -3.43 1.54 0.25 -1.27 -7.23 0.05 -4.21 120.40 106.11 2jx9 s VAL 55 Ca 0.61 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 2jx9 s VAL 55 Cb -0.12 -1.36 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 2jx9 s VAL 55 CO 0.51 0.11 1.22 -0.63 -0.31 0.00 0.00 175.10 176.00 2jx9 s ILE 56 N -0.88 3.26 -0.33 -0.62 1.01 0.34 -2.21 121.20 121.77 2jx9 s ILE 56 Ca 0.06 1.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.86 2jx9 s ILE 56 Cb -0.09 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.75 2jx9 s ILE 56 CO 0.02 0.23 0.12 0.00 0.00 0.00 0.00 174.94 175.31 2jx9 s MET 57 N -0.90 0.78 0.05 2.79 0.23 -0.41 -1.23 119.30 120.61 2jx9 s MET 57 Ca 0.51 -1.21 -0.31 0.00 -1.03 0.00 0.00 55.69 53.65 2jx9 s MET 57 Cb -0.35 -2.02 -0.08 0.00 -1.53 0.00 0.00 34.83 30.85 2jx9 s MET 57 CO 0.42 -1.02 1.62 0.08 -2.03 0.00 0.00 175.02 174.10 2jx9 s VAL 58 N 1.43 3.18 -0.22 5.16 1.01 -1.26 -2.35 120.40 127.35 2jx9 s VAL 58 Ca 0.11 0.58 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 2jx9 s VAL 58 Cb -0.18 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 2jx9 s VAL 58 CO -0.21 -0.01 -0.26 -0.62 0.00 0.00 0.00 175.10 174.00 2jx9 n GLU 59 N 5.72 0.49 -3.76 2.72 1.02 -0.69 -4.96 120.64 121.18 2jx9 n GLU 59 Ca 0.16 0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2jx9 n GLU 59 Cb 0.41 -1.33 -0.09 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 -6.73 -0.24 -0.07 1.62 0.01 -1.10 -5.04 114.94 103.39 2jx9 s ASN 60 Ca -0.30 0.26 -0.29 0.00 -0.71 0.00 0.00 52.86 51.81 2jx9 s ASN 60 Cb 0.11 0.42 0.11 0.00 0.41 0.00 0.00 41.25 42.30 2jx9 s ASN 60 CO 0.42 -0.36 0.89 0.00 -1.51 0.00 0.00 177.10 176.54 2jx9 s ALA 61 N -0.90 -1.85 -0.07 0.60 0.00 -1.26 -0.33 121.76 117.94 2jx9 s ALA 61 Ca -0.10 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.02 2jx9 s ALA 61 Cb -0.04 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2jx9 s ALA 61 CO 0.03 -0.48 0.32 1.21 0.00 0.00 0.00 175.76 176.84 2jx9 s ASN 62 N -1.70 -0.27 -0.24 0.00 2.47 -0.62 -3.83 114.94 110.73 2jx9 s ASN 62 Ca -0.01 0.40 -0.03 0.00 0.42 0.00 0.00 52.86 53.65 2jx9 s ASN 62 Cb -0.01 0.51 0.02 0.00 -1.45 0.00 0.00 41.25 40.32 2jx9 s ASN 62 CO -0.02 -0.26 -0.05 -0.47 -3.72 0.00 0.00 177.10 172.58 2jx9 s TYR 63 N -0.50 3.04 0.00 0.43 5.04 -1.25 -1.96 117.35 122.14 2jx9 s TYR 63 Ca -0.06 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 2jx9 s TYR 63 Cb -0.04 -2.09 0.00 0.00 0.35 0.00 0.00 41.96 40.19 2jx9 s TYR 63 CO 0.02 -0.67 0.00 0.41 -1.34 0.00 0.00 175.55 173.97 2jx9 n GLY 64 N 4.72 -0.52 3.27 8.97 0.00 -0.10 -3.09 105.19 118.43 2jx9 n GLY 64 Ca -0.17 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 0.39 0.00 1.61 3.52 -0.92 0.72 118.95 123.54 2jx9 s ARG 65 Ca 0.00 1.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 2jx9 s ARG 65 Cb 0.00 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 2jx9 s ARG 65 CO 0.00 -0.33 0.60 0.25 -0.81 0.00 0.00 175.30 175.01 2jx9 n THR 66 N 5.40 0.28 -3.80 4.11 -2.24 -1.26 -0.38 114.28 116.39 2jx9 n THR 66 Ca -0.08 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 2jx9 n THR 66 Cb 0.50 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.28 -0.01 0.00 3.42 2.15 -1.26 -4.80 116.67 115.88 2jx9 s ASP 67 Ca 0.00 -0.39 0.07 0.00 0.43 0.00 0.00 52.55 52.66 2jx9 s ASP 67 Cb 0.00 0.34 0.10 0.00 -0.30 0.00 0.00 42.92 43.06 2jx9 s ASP 67 CO 0.00 -0.65 0.88 -0.90 -0.17 0.00 0.00 175.17 174.34 2jx9 n ASP 68 N 0.37 1.95 -0.89 -0.34 5.68 -1.26 -4.48 116.55 117.57 2jx9 n ASP 68 Ca -0.17 -1.56 0.09 0.00 -0.50 0.00 0.00 54.79 52.65 2jx9 n ASP 68 Cb 0.60 -0.05 0.15 0.00 -1.14 0.00 0.00 41.12 40.68 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 0.28 2.09 -4.73 0.11 5.02 -1.26 -4.89 118.16 114.77 2jx9 n LYS 69 Ca 0.05 -1.95 -0.33 0.00 -2.02 0.00 0.00 58.31 54.05 2jx9 n LYS 69 Cb 0.24 -1.40 -0.12 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.35 3.40 -0.77 -0.18 -1.09 -1.26 -4.72 121.20 115.23 2jx9 s ILE 70 Ca 0.29 -0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2jx9 s ILE 70 Cb 0.18 -2.38 -0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2jx9 s ILE 70 CO 0.25 0.58 0.69 0.00 -1.23 0.00 0.00 174.94 175.24 2jx9 n ASP 72 N -1.97 3.67 -0.26 0.00 2.03 -1.26 -4.94 116.55 113.81 2jx9 n ASP 72 Ca -0.05 0.87 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2jx9 n ASP 72 Cb 0.54 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 2jx9 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jx9 n ALA 73 N 7.51 0.00 -1.83 -1.67 0.00 -1.26 -5.10 120.51 118.16 2jx9 n ALA 73 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 2jx9 n ALA 73 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 0.59 6.53 0.41 0.00 -4.77 -1.26 -4.87 116.67 113.30 2jx9 s ASP 74 Ca 0.00 2.79 0.12 0.00 -3.30 0.00 0.00 52.55 52.16 2jx9 s ASP 74 Cb 0.00 -2.63 0.96 0.00 -1.09 0.00 0.00 42.92 40.16 2jx9 s ASP 74 CO 0.00 -0.80 1.96 1.55 0.70 0.00 0.00 175.17 178.58 2jx9 h PRO 75 N 5.02 0.48 -0.63 2.11 0.13 -1.99 -1.37 132.00 135.75 2jx9 h PRO 75 Ca -0.46 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2jx9 h PRO 75 Cb 1.22 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2jx9 h PRO 75 CO 0.79 0.32 0.30 0.74 -0.23 0.00 0.00 178.00 179.92 2jx9 h PHE 76 N 0.50 0.88 -0.01 1.56 0.04 -1.97 0.30 116.94 118.23 2jx9 h PHE 76 Ca 0.31 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.05 2jx9 h PHE 76 Cb 0.55 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2jx9 h PHE 76 CO -0.00 0.64 -0.03 1.04 -0.60 0.00 0.00 178.31 179.36 2jx9 n GLN 77 N -4.35 1.16 -0.00 1.51 6.02 -0.55 -3.40 117.38 117.76 2jx9 n GLN 77 Ca 0.06 -0.42 0.01 0.00 -0.01 0.00 0.00 57.00 56.64 2jx9 n GLN 77 Cb 0.13 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.55 -0.06 -0.19 -1.09 2.81 -0.06 0.21 117.12 118.20 2jx9 n MET 78 Ca 0.20 -0.78 -0.08 0.00 -1.81 0.00 0.00 57.70 55.23 2jx9 n MET 78 Cb 0.24 -1.03 0.02 0.00 -0.71 0.00 0.00 33.22 31.74 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 0.29 0.79 -6.27 0.03 5.08 -0.53 -3.42 114.58 110.56 2jx9 h GLU 79 Ca 0.00 -0.14 -0.57 0.00 -1.00 0.00 0.00 59.36 57.64 2jx9 h GLU 79 Cb 0.15 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2jx9 h GLU 79 CO 0.00 0.69 0.84 1.21 -1.00 0.00 0.00 179.01 180.76 2jx9 s ASN 80 N -6.01 6.95 -0.43 1.42 2.47 -1.26 -4.91 114.94 113.16 2jx9 s ASN 80 Ca -0.13 1.11 0.04 0.00 0.42 0.00 0.00 52.86 54.31 2jx9 s ASN 80 Cb 0.12 -2.54 0.54 0.00 -1.45 0.00 0.00 41.25 37.91 2jx9 s ASN 80 CO 0.78 -0.85 1.71 1.33 -3.72 0.00 0.00 177.10 176.35 2jx9 n VAL 81 N 5.78 3.02 -3.37 -5.21 0.24 -1.26 -4.76 118.33 112.77 2jx9 n VAL 81 Ca 0.12 -2.74 -0.25 0.00 -2.04 0.00 0.00 64.34 59.43 2jx9 n VAL 81 Cb 0.47 -0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 32.07 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 -3.46 0.81 -0.07 7.34 -1.52 -0.87 -4.19 119.66 117.70 2jx9 s GLN 82 Ca 0.54 -1.78 -0.03 0.00 -1.95 0.00 0.00 55.36 52.14 2jx9 s GLN 82 Cb 0.46 -1.26 0.04 0.00 -0.22 0.00 0.00 33.01 32.03 2jx9 s GLN 82 CO 0.03 -1.33 0.14 0.00 -0.25 0.00 0.00 175.29 173.88 2jx9 s TYR 84 N 1.63 0.74 -0.35 0.00 1.51 -1.26 -2.17 117.35 117.45 2jx9 s TYR 84 Ca -0.04 -0.65 0.02 0.00 -1.01 0.00 0.00 57.07 55.39 2jx9 s TYR 84 Cb -0.12 -0.44 0.15 0.00 -0.11 0.00 0.00 41.96 41.44 2jx9 s TYR 84 CO -0.06 -0.11 0.36 -1.17 -1.11 0.00 0.00 175.55 173.46 2jx9 s LEU 85 N -2.11 -0.10 0.25 -1.29 2.96 -1.18 -4.82 118.68 112.39 2jx9 s LEU 85 Ca -0.02 -1.39 -0.03 0.00 -0.22 0.00 0.00 54.13 52.47 2jx9 s LEU 85 Cb -0.04 0.55 0.50 0.00 0.50 0.00 0.00 46.19 47.70 2jx9 s LEU 85 CO -0.02 -0.29 1.70 -0.65 -1.32 0.00 0.00 176.35 175.78 2jx9 h PRO 86 N 7.33 0.35 0.00 0.98 0.11 -1.91 -0.25 132.00 138.62 2jx9 h PRO 86 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2jx9 h PRO 86 Cb 1.06 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2jx9 h PRO 86 CO 0.23 0.23 0.31 -0.44 -0.21 0.00 0.00 178.00 178.12 2jx9 h ASP 87 N 0.36 0.00 -0.61 -2.05 3.32 -1.96 0.26 116.42 115.74 2jx9 h ASP 87 Ca 0.43 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.57 2jx9 h ASP 87 Cb 0.72 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 2jx9 h ASP 87 CO -0.47 0.00 0.41 0.00 -1.72 0.00 0.00 179.24 177.46 2jx9 h ALA 88 N 1.36 1.93 -0.20 3.45 0.00 -1.33 -1.99 119.26 122.48 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 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jx9 h ALA 88 CO 0.00 -0.05 -0.02 0.35 0.00 0.00 0.00 179.25 179.53 2jx9 h PHE 89 N 0.49 0.40 -0.68 0.00 3.57 -1.04 -2.61 116.94 117.07 2jx9 h PHE 89 Ca 0.28 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 2jx9 h PHE 89 Cb 0.44 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2jx9 h PHE 89 CO -0.00 0.59 0.15 1.57 -2.23 0.00 0.00 178.31 178.39 2jx9 h LYS 90 N 0.10 1.10 0.36 1.11 2.10 -1.54 -0.50 116.57 119.31 2jx9 h LYS 90 Ca 0.05 -0.27 -0.02 0.00 -2.00 0.00 0.00 60.65 58.42 2jx9 h LYS 90 Cb 0.44 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2jx9 h LYS 90 CO 0.01 0.98 -0.18 0.82 -2.00 0.00 0.00 179.45 179.09 2jx9 h ILE 91 N 1.04 0.65 -0.37 0.07 2.04 -1.37 -1.42 117.51 118.15 2jx9 h ILE 91 Ca 0.21 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 2jx9 h ILE 91 Cb 0.38 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2jx9 h ILE 91 CO 0.00 0.04 -0.15 0.24 0.00 0.00 0.00 178.15 178.29 2jx9 h MET 92 N -0.60 0.67 -0.44 2.37 2.86 -1.45 -2.10 114.93 116.24 2jx9 h MET 92 Ca -0.05 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2jx9 h MET 92 Cb 0.44 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2jx9 h MET 92 CO 0.08 0.79 0.27 0.77 1.06 0.00 0.00 176.91 179.88 2jx9 h SER 93 N 0.61 0.53 -0.32 1.22 0.02 -1.00 0.55 113.55 115.16 2jx9 h SER 93 Ca 0.10 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2jx9 h SER 93 Cb 0.60 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2jx9 h SER 93 CO 0.04 0.43 -0.04 1.56 -1.14 0.00 0.00 176.83 177.68 2jx9 h GLN 94 N 0.58 0.70 0.04 3.45 4.20 -1.10 0.55 115.11 123.54 2jx9 h GLN 94 Ca 0.16 -0.19 -0.22 0.00 0.06 0.00 0.00 58.65 58.45 2jx9 h GLN 94 Cb -0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2jx9 h GLN 94 CO -0.03 0.74 -1.02 0.00 -0.67 0.00 0.00 178.83 177.85 2jx9 h ARG 95 N 0.65 0.16 0.00 1.46 3.08 -0.77 -3.38 114.38 115.58 2jx9 h ARG 95 Ca 0.13 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2jx9 h ARG 95 Cb 0.46 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2jx9 h ARG 95 CO 0.02 1.05 -1.04 0.00 -1.07 0.00 0.00 179.97 178.93 2jx9 s ASN 97 N -2.56 6.42 -0.13 0.00 -0.87 0.19 -1.58 114.94 116.41 2jx9 s ASN 97 Ca -0.01 2.88 0.00 0.00 -1.57 0.00 0.00 52.86 54.16 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 0.35 -0.90 0.00 0.59 -2.57 0.00 0.00 177.10 174.56 2jx9 n ASN 98 N 2.79 -4.96 -4.61 -1.22 4.13 -0.37 -4.94 115.26 106.08 2jx9 n ASN 98 Ca 0.10 0.03 -0.32 0.00 1.68 0.00 0.00 54.58 56.08 2jx9 n ASN 98 Cb 0.37 -2.57 -0.10 0.00 -1.54 0.00 0.00 39.78 35.94 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 -1.49 2.55 0.25 3.52 0.52 -0.61 -4.79 118.95 118.89 2jx9 s ARG 99 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2jx9 s ARG 99 Cb 0.00 -2.51 0.29 0.00 0.52 0.00 0.00 34.95 33.26 2jx9 s ARG 99 CO 0.00 0.60 1.64 1.15 0.02 0.00 0.00 175.30 178.71 2jx9 h THR 100 N 3.65 1.29 -3.48 0.02 2.02 -1.85 0.98 112.91 115.54 2jx9 h THR 100 Ca -0.48 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.13 2jx9 h THR 100 Cb 1.17 1.50 -0.16 0.00 -1.74 0.00 0.00 68.15 68.92 2jx9 h THR 100 CO 0.54 0.46 -0.29 0.00 0.37 0.00 0.00 175.52 176.61 2jx9 s GLN 101 N -4.31 0.82 -0.18 6.66 -2.07 -1.26 -0.01 119.66 119.30 2jx9 s GLN 101 Ca -0.07 -0.66 -0.16 0.00 -1.82 0.00 0.00 55.36 52.65 2jx9 s GLN 101 Cb 0.13 0.35 0.05 0.00 -1.09 0.00 0.00 33.01 32.45 2jx9 s GLN 101 CO 0.81 -0.27 0.49 0.00 -1.32 0.00 0.00 175.29 175.00 2jx9 s VAL 103 N 0.39 2.24 0.00 0.00 1.01 -1.26 -1.17 120.40 121.62 2jx9 s VAL 103 Ca -0.01 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2jx9 s VAL 103 Cb -0.04 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2jx9 s VAL 103 CO -0.01 0.56 0.10 -0.69 0.00 0.00 0.00 175.10 175.05 2jx9 s VAL 104 N 0.25 0.08 -0.34 2.92 1.01 -0.61 -4.96 120.40 118.75 2jx9 s VAL 104 Ca -0.15 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 2jx9 s VAL 104 Cb -0.17 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.86 2jx9 s VAL 104 CO 0.08 -0.36 0.88 -0.69 0.00 0.00 0.00 175.10 175.01 2jx9 s VAL 105 N -1.22 4.67 0.00 2.92 1.01 -1.26 -0.26 120.40 126.25 2jx9 s VAL 105 Ca -0.13 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.08 2jx9 s VAL 105 Cb -0.07 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2jx9 s VAL 105 CO 0.01 -0.41 1.13 0.00 0.00 0.00 0.00 175.10 175.82 2jx9 n ALA 106 N 6.53 2.88 0.00 5.51 0.00 -0.96 -4.61 120.51 129.87 2jx9 n ALA 106 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jx9 n ALA 106 Cb 0.48 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2jx9 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jx9 n GLY 107 N 1.55 -0.25 3.58 0.00 0.00 -1.26 -2.02 105.19 106.80 2jx9 n GLY 107 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2jx9 n SER 108 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 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 -2.05 0.00 0.02 -3.46 8.00 -1.26 -1.90 116.55 115.91 2jx9 n ASP 109 Ca 0.00 -0.32 0.13 0.00 0.71 0.00 0.00 54.79 55.31 2jx9 n ASP 109 Cb 0.00 0.00 0.40 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 -0.96 2.82 -3.72 2.24 0.00 -0.19 -4.80 120.51 115.91 2jx9 n ALA 110 Ca 0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2jx9 n ALA 110 Cb 0.03 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 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 -3.04 -0.31 0.00 0.00 0.40 0.29 -4.86 117.98 110.47 2jx9 s PHE 111 Ca 0.11 0.76 0.00 0.00 -0.60 0.00 0.00 56.93 57.20 2jx9 s PHE 111 Cb 0.17 0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.70 2jx9 s PHE 111 CO 0.62 -0.24 0.00 -2.30 0.70 0.00 0.00 175.22 174.00 2jx9 n PRO 112 N 4.43 3.06 -3.32 0.24 -0.02 -1.26 -4.68 135.00 133.45 2jx9 n PRO 112 Ca -0.22 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.03 2jx9 n PRO 112 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.91 2jx9 n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jx9 s ASP 113 N -2.52 1.21 0.00 2.55 2.15 -1.26 -4.98 116.67 113.83 2jx9 s ASP 113 Ca 0.00 -2.66 0.25 0.00 0.43 0.00 0.00 52.55 50.57 2jx9 s ASP 113 Cb 0.00 -0.05 1.25 0.00 -0.30 0.00 0.00 42.92 43.82 2jx9 s ASP 113 CO 0.00 -0.18 1.85 -0.81 -0.17 0.00 0.00 175.17 175.86 2jx9 n PRO 114 N 3.13 0.29 -2.72 4.34 -0.04 -1.26 -4.39 135.00 134.34 2jx9 n PRO 114 Ca 0.25 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.70 2jx9 n PRO 114 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.11 1.36 -0.42 0.00 -0.04 -1.26 -2.56 135.00 134.20 2jx9 n PRO 116 Ca 0.10 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2jx9 n PRO 116 Cb 0.63 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2jx9 n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jx9 n GLY 117 N 0.85 1.73 3.49 0.55 0.00 -1.26 -5.02 105.19 105.53 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 -3.26 2.89 -0.37 2.61 2.01 -1.06 -4.49 115.64 113.96 2jx9 s THR 118 Ca 0.00 -1.40 -0.26 0.00 0.31 0.00 0.00 61.69 60.34 2jx9 s THR 118 Cb 0.00 -2.30 0.02 0.00 0.01 0.00 0.00 72.50 70.22 2jx9 s THR 118 CO 0.00 0.16 0.96 -0.47 -0.69 0.00 0.00 174.62 174.58 2jx9 s TYR 119 N -1.10 3.06 0.00 4.92 5.04 0.58 -5.00 117.35 124.85 2jx9 s TYR 119 Ca 0.17 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 2jx9 s TYR 119 Cb -0.11 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.48 2jx9 s TYR 119 CO 0.09 -0.86 0.00 1.63 -1.34 0.00 0.00 175.55 175.07 2jx9 n LYS 120 N 6.87 1.89 -3.73 4.97 5.02 -1.26 -4.76 118.16 127.16 2jx9 n LYS 120 Ca 0.08 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.37 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 0.97 -0.05 -0.10 2.13 -0.85 0.22 -2.39 117.35 117.28 2jx9 s TYR 121 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 2jx9 s TYR 121 Cb 0.00 0.60 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jx9 s TYR 121 CO 0.00 -0.53 -0.09 -1.17 -1.52 0.00 0.00 175.55 172.24 2jx9 s LEU 122 N -3.10 1.37 -0.16 -3.49 2.96 -0.31 -0.93 118.68 115.01 2jx9 s LEU 122 Ca 0.16 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2jx9 s LEU 122 Cb 0.01 -0.85 0.01 0.00 0.50 0.00 0.00 46.19 45.86 2jx9 s LEU 122 CO -0.00 -0.07 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.08 2jx9 s GLU 123 N 1.35 3.08 -0.08 1.98 2.12 -0.83 -1.32 118.70 125.00 2jx9 s GLU 123 Ca -0.01 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.52 2jx9 s GLU 123 Cb -0.14 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.70 2jx9 s GLU 123 CO -0.05 -0.10 -0.09 0.08 -0.54 0.00 0.00 175.26 174.57 2jx9 s VAL 124 N 1.05 0.97 -0.15 3.70 1.01 -0.47 -1.60 120.40 124.92 2jx9 s VAL 124 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2jx9 s VAL 124 Cb -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2jx9 s VAL 124 CO -0.06 0.33 -0.05 -1.10 0.00 0.00 0.00 175.10 174.23 2jx9 s GLN 125 N 1.11 3.58 0.28 2.72 1.11 0.55 -2.15 119.66 126.87 2jx9 s GLN 125 Ca -0.07 -0.53 -0.13 0.00 0.01 0.00 0.00 55.36 54.64 2jx9 s GLN 125 Cb -0.14 -2.87 0.01 0.00 -1.01 0.00 0.00 33.01 29.00 2jx9 s GLN 125 CO -0.01 0.28 0.55 1.52 0.01 0.00 0.00 175.29 177.64 2jx9 s TYR 126 N 0.26 0.33 0.20 0.91 1.13 -0.72 -1.70 117.35 117.76 2jx9 s TYR 126 Ca -0.04 -0.73 0.09 0.00 -1.41 0.00 0.00 57.07 54.99 2jx9 s TYR 126 Cb -0.14 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.99 2jx9 s TYR 126 CO 0.03 -1.12 -0.16 -0.51 -2.51 0.00 0.00 175.55 171.28 2jx9 s ASP 127 N -3.03 2.75 -0.24 -0.18 1.01 -0.99 -1.68 116.67 114.30 2jx9 s ASP 127 Ca 0.21 -0.97 -0.06 0.00 0.71 0.00 0.00 52.55 52.43 2jx9 s ASP 127 Cb -0.02 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.72 2jx9 s ASP 127 CO 0.10 -0.10 0.04 0.00 0.21 0.00 0.00 175.17 175.42 2jx9 s VAL 129 N 1.58 2.08 0.43 0.00 -7.23 -0.94 -4.85 120.40 111.47 2jx9 s VAL 129 Ca 0.06 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 2jx9 s VAL 129 Cb -0.15 -1.98 -0.10 0.00 0.56 0.00 0.00 36.38 34.71 2jx9 s VAL 129 CO 0.02 -0.22 1.05 -2.65 -0.31 0.00 0.00 175.10 172.99 2jx9 n PRO 130 N 0.26 1.42 -2.40 4.82 -0.02 -1.26 -0.77 135.00 137.06 2jx9 n PRO 130 Ca -0.13 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2jx9 n PRO 130 Cb 0.57 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.27 2.30 0.03 6.00 6.14 -1.24 -4.73 117.35 124.58 2jx9 s TYR 131 Ca 0.63 0.46 -0.15 0.00 0.64 0.00 0.00 57.07 58.66 2jx9 s TYR 131 Cb -0.54 -4.40 -0.06 0.00 0.42 0.00 0.00 41.96 37.38 2jx9 s TYR 131 CO 0.56 -1.96 0.44 0.21 0.64 0.00 0.00 175.55 175.44 2jx9 s LYS 132 N 5.49 3.93 0.09 4.97 2.20 -1.26 -5.07 119.74 130.09 2jx9 s LYS 132 Ca 0.52 0.42 -0.24 0.00 -0.36 0.00 0.00 55.97 56.31 2jx9 s LYS 132 Cb -0.11 -3.17 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 2jx9 s LYS 132 CO 0.25 0.65 0.72 0.14 -0.36 0.00 0.00 175.35 176.75 2jx9 s VAL 133 N -1.16 4.61 0.00 4.02 -7.23 -1.26 -5.21 120.40 114.17 2jx9 s VAL 133 Ca 0.27 1.56 0.00 0.00 -1.81 0.00 0.00 61.98 62.00 2jx9 s VAL 133 Cb -0.16 -4.08 0.00 0.00 0.56 0.00 0.00 36.38 32.70 2jx9 s VAL 133 CO 0.15 0.46 0.00 1.21 -0.31 0.00 0.00 175.10 176.61