#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa n LEU 30 N 0.00 -4.30 0.00 0.99 4.32 -1.26 -4.97 117.00 111.78 2jxa n LEU 30 Ca 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.16 2jxa n LEU 30 Cb 0.00 -2.80 0.00 0.00 -1.62 0.00 0.00 43.42 39.00 2jxa n LEU 30 CO 0.00 0.22 0.00 -2.65 -1.22 0.00 0.00 177.39 173.74 2jxa n PRO 31 N -3.61 0.00 0.00 3.23 -0.02 -1.26 -3.97 135.00 129.38 2jxa n PRO 31 Ca -0.08 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2jxa n PRO 31 Cb 0.60 0.00 0.63 0.00 -0.02 0.00 0.00 33.50 34.71 2jxa n PRO 31 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jxa n PHE 32 N 0.00 0.00 0.00 6.00 3.72 -1.26 -4.86 117.46 121.06 2jxa n PHE 32 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2jxa n PHE 32 Cb 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jxa n GLY 33 N 0.98 1.05 3.16 1.37 0.00 -1.25 -4.67 105.19 105.83 2jxa n GLY 33 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2jxa n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jxa s LEU 34 N 0.00 -1.23 0.57 0.99 2.96 -1.26 -5.13 118.68 115.57 2jxa s LEU 34 Ca 0.00 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2jxa s LEU 34 Cb 0.00 2.05 0.00 0.00 0.50 0.00 0.00 46.19 48.74 2jxa s LEU 34 CO 0.00 -0.23 0.00 0.23 -1.32 0.00 0.00 176.35 175.03 2jxa n MET 35 N 5.43 -3.84 -3.34 1.98 2.81 -1.26 -4.87 117.12 114.03 2jxa n MET 35 Ca -0.02 3.00 -0.37 0.00 -1.81 0.00 0.00 57.70 58.50 2jxa n MET 35 Cb 0.51 -3.84 -0.06 0.00 -0.71 0.00 0.00 33.22 29.12 2jxa n MET 35 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jxa s ARG 36 N -5.25 4.05 -0.11 0.03 0.52 0.70 -4.71 118.95 114.17 2jxa s ARG 36 Ca 0.00 0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 55.71 2jxa s ARG 36 Cb 0.00 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.45 2jxa s ARG 36 CO 0.00 0.56 0.26 0.50 0.02 0.00 0.00 175.30 176.64 2jxa s ARG 37 N -1.58 0.24 0.02 3.54 3.52 -1.26 -0.89 118.95 122.54 2jxa s ARG 37 Ca 0.33 0.51 0.05 0.00 -0.13 0.00 0.00 55.73 56.49 2jxa s ARG 37 Cb -0.17 -0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.16 2jxa s ARG 37 CO 0.18 -0.13 -0.16 -1.21 -0.81 0.00 0.00 175.30 173.17 2jxa s GLU 38 N 0.98 1.16 -0.01 5.12 0.41 -1.00 -4.99 118.70 120.39 2jxa s GLU 38 Ca -0.07 -0.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2jxa s GLU 38 Cb -0.08 -1.17 0.01 0.00 -1.78 0.00 0.00 34.13 31.10 2jxa s GLU 38 CO -0.07 0.31 -0.00 -1.17 -0.49 0.00 0.00 175.26 173.84 2jxa s LEU 39 N -0.80 1.82 -0.02 1.80 0.20 -1.26 -1.87 118.68 118.55 2jxa s LEU 39 Ca 0.05 -0.01 -0.03 0.00 0.69 0.00 0.00 54.13 54.82 2jxa s LEU 39 Cb -0.07 -0.06 0.00 0.00 -0.43 0.00 0.00 46.19 45.63 2jxa s LEU 39 CO 0.01 -0.01 0.08 0.00 -0.29 0.00 0.00 176.35 176.14 2jxa s ALA 40 N 0.20 -0.20 0.29 5.97 0.00 -0.89 -4.97 121.76 122.15 2jxa s ALA 40 Ca -0.02 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2jxa s ALA 40 Cb -0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.92 2jxa s ALA 40 CO -0.01 -0.09 1.31 0.00 0.00 0.00 0.00 175.76 176.98 2jxa n GLU 42 N 1.44 0.39 -0.22 0.00 2.13 -1.05 -1.90 120.64 121.43 2jxa n GLU 42 Ca 0.02 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2jxa n GLU 42 Cb 0.42 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.86 2jxa n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jxa n GLY 43 N 1.78 1.17 3.53 8.31 0.00 -0.76 -4.91 105.19 114.30 2jxa n GLY 43 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2jxa n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxa s TYR 44 N -2.72 2.58 0.37 1.61 2.02 -0.80 -4.76 117.35 115.65 2jxa s TYR 44 Ca 0.00 -0.24 -0.26 0.00 -0.37 0.00 0.00 57.07 56.20 2jxa s TYR 44 Cb 0.00 -1.30 -0.09 0.00 -0.40 0.00 0.00 41.96 40.17 2jxa s TYR 44 CO 0.00 0.47 1.13 -1.25 -1.57 0.00 0.00 175.55 174.33 2jxa s PRO 45 N -2.57 4.21 0.02 -1.71 0.04 -1.26 -0.76 135.00 132.97 2jxa s PRO 45 Ca 0.22 1.77 0.07 0.00 0.04 0.00 0.00 61.00 63.10 2jxa s PRO 45 Cb -0.09 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 2jxa s PRO 45 CO 0.13 -0.16 -0.20 -1.50 0.04 0.00 0.00 177.00 175.31 2jxa s ILE 46 N -1.41 2.62 -0.09 0.56 2.07 0.53 -4.88 121.20 120.61 2jxa s ILE 46 Ca 0.54 -1.15 0.02 0.00 -1.41 0.00 0.00 60.65 58.66 2jxa s ILE 46 Cb -0.29 -2.06 0.01 0.00 0.13 0.00 0.00 42.46 40.25 2jxa s ILE 46 CO 0.37 0.41 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.96 2jxa s GLU 47 N -1.20 2.09 -0.04 3.50 2.12 -1.26 -1.98 118.70 121.92 2jxa s GLU 47 Ca 0.13 -0.53 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2jxa s GLU 47 Cb -0.10 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.53 2jxa s GLU 47 CO 0.03 0.01 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.12 2jxa s LEU 48 N 0.77 2.81 -0.08 2.70 1.43 -0.77 -4.98 118.68 120.56 2jxa s LEU 48 Ca -0.12 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2jxa s LEU 48 Cb -0.16 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2jxa s LEU 48 CO 0.02 0.34 0.19 -0.13 0.23 0.00 0.00 176.35 176.99 2jxa s ARG 49 N -0.85 0.15 0.00 1.70 0.52 -1.26 -2.19 118.95 117.01 2jxa s ARG 49 Ca 0.12 0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.73 2jxa s ARG 49 Cb -0.11 -0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.20 2jxa s ARG 49 CO 0.02 -0.15 0.17 0.00 0.02 0.00 0.00 175.30 175.36 2jxa s PRO 51 N -2.00 3.33 5.37 0.00 0.04 -1.26 -4.75 135.00 135.72 2jxa s PRO 51 Ca 0.28 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2jxa s PRO 51 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2jxa s PRO 51 CO 0.19 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2jxa n GLY 52 N -1.69 3.04 1.46 0.56 0.00 -1.26 -1.77 105.19 105.52 2jxa n GLY 52 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 2jxa n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxa n SER 53 N 2.49 3.74 -4.86 1.61 3.41 -1.26 -5.00 113.62 113.75 2jxa n SER 53 Ca 0.00 -3.38 -0.30 0.00 -0.26 0.00 0.00 58.87 54.93 2jxa n SER 53 Cb 0.00 -0.67 0.07 0.00 -0.26 0.00 0.00 64.21 63.35 2jxa n SER 53 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jxa s ASP 54 N -1.78 4.94 0.05 4.04 1.01 -0.73 -1.90 116.67 122.31 2jxa s ASP 54 Ca 0.49 1.09 0.08 0.00 0.71 0.00 0.00 52.55 54.91 2jxa s ASP 54 Cb 0.41 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.51 2jxa s ASP 54 CO 0.08 -1.66 -0.21 0.68 0.21 0.00 0.00 175.17 174.27 2jxa s VAL 55 N -3.36 1.70 0.23 -1.27 -7.23 0.47 -4.36 120.40 106.59 2jxa s VAL 55 Ca 0.60 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 2jxa s VAL 55 Cb -0.12 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2jxa s VAL 55 CO 0.52 0.17 1.32 -0.63 -0.31 0.00 0.00 175.10 176.17 2jxa s ILE 56 N -0.86 3.05 -0.31 -0.62 1.01 0.28 -2.10 121.20 121.63 2jxa s ILE 56 Ca 0.08 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.63 2jxa s ILE 56 Cb -0.09 -3.58 0.10 0.00 0.01 0.00 0.00 42.46 38.90 2jxa s ILE 56 CO 0.02 0.15 0.09 0.00 0.00 0.00 0.00 174.94 175.21 2jxa s MET 57 N -0.50 0.84 0.06 2.79 0.23 0.07 -0.35 119.30 122.43 2jxa s MET 57 Ca 0.55 -1.20 -0.31 0.00 -1.03 0.00 0.00 55.69 53.70 2jxa s MET 57 Cb -0.38 -2.19 -0.08 0.00 -1.53 0.00 0.00 34.83 30.65 2jxa s MET 57 CO 0.42 -0.98 1.66 0.08 -2.03 0.00 0.00 175.02 174.16 2jxa s VAL 58 N 1.50 3.10 -0.27 5.16 1.01 -1.26 -2.17 120.40 127.48 2jxa s VAL 58 Ca 0.10 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 2jxa s VAL 58 Cb -0.18 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 2jxa s VAL 58 CO -0.22 -0.01 -0.36 -0.62 0.00 0.00 0.00 175.10 173.89 2jxa n GLU 59 N 5.78 0.58 -3.75 2.72 -0.58 -0.21 -4.99 120.64 120.19 2jxa n GLU 59 Ca 0.16 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 57.02 2jxa n GLU 59 Cb 0.41 -1.48 -0.09 0.00 -0.57 0.00 0.00 31.44 29.71 2jxa n GLU 59 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2jxa s ASN 60 N -7.30 -0.25 -0.06 1.62 0.01 -1.02 -5.02 114.94 102.91 2jxa s ASN 60 Ca -0.38 0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.74 2jxa s ASN 60 Cb 0.14 0.42 0.09 0.00 0.41 0.00 0.00 41.25 42.31 2jxa s ASN 60 CO 0.48 -0.37 0.79 0.00 -1.51 0.00 0.00 177.10 176.48 2jxa s ALA 61 N -0.95 -1.81 -0.04 0.60 0.00 -1.26 0.37 121.76 118.67 2jxa s ALA 61 Ca -0.10 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 2jxa s ALA 61 Cb -0.04 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 22.99 2jxa s ALA 61 CO 0.04 -0.40 0.42 1.21 0.00 0.00 0.00 175.76 177.02 2jxa s ASN 62 N -1.37 -0.34 -0.16 0.00 2.47 -0.42 -3.64 114.94 111.48 2jxa s ASN 62 Ca -0.06 0.35 0.01 0.00 0.42 0.00 0.00 52.86 53.57 2jxa s ASN 62 Cb -0.00 0.45 0.01 0.00 -1.45 0.00 0.00 41.25 40.25 2jxa s ASN 62 CO 0.04 -0.45 -0.17 -0.47 -3.72 0.00 0.00 177.10 172.33 2jxa s TYR 63 N -1.08 2.76 0.00 0.43 5.04 -1.26 -1.89 117.35 121.35 2jxa s TYR 63 Ca -0.11 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 53.25 2jxa s TYR 63 Cb -0.04 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.38 2jxa s TYR 63 CO 0.05 -0.60 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 2jxa n GLY 64 N 4.25 -0.43 3.37 8.97 0.00 -0.45 -3.44 105.19 117.45 2jxa n GLY 64 Ca -0.20 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 2jxa n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jxa s ARG 65 N -1.92 0.49 0.00 1.61 3.52 -1.01 0.55 118.95 122.19 2jxa s ARG 65 Ca 0.00 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 2jxa s ARG 65 Cb 0.00 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 33.92 2jxa s ARG 65 CO 0.00 -0.35 0.81 0.25 -0.81 0.00 0.00 175.30 175.20 2jxa n THR 66 N 5.42 0.64 -3.83 4.11 -2.24 -1.26 -0.64 114.28 116.48 2jxa n THR 66 Ca -0.08 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 60.92 2jxa n THR 66 Cb 0.50 0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 2jxa n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jxa s ASP 67 N -0.64 0.06 0.00 3.42 2.15 -1.26 -4.77 116.67 115.62 2jxa s ASP 67 Ca 0.00 -0.53 0.06 0.00 0.43 0.00 0.00 52.55 52.51 2jxa s ASP 67 Cb 0.00 0.34 0.08 0.00 -0.30 0.00 0.00 42.92 43.04 2jxa s ASP 67 CO 0.00 -0.68 0.82 -0.90 -0.17 0.00 0.00 175.17 174.24 2jxa n ASP 68 N 0.16 1.79 -0.73 -0.34 5.68 -1.26 -4.49 116.55 117.36 2jxa n ASP 68 Ca -0.16 -1.48 0.09 0.00 -0.50 0.00 0.00 54.79 52.74 2jxa n ASP 68 Cb 0.61 -0.04 0.08 0.00 -1.14 0.00 0.00 41.12 40.64 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jxa n LYS 69 N 0.23 1.54 -4.80 0.11 5.02 -1.26 -4.87 118.16 114.12 2jxa n LYS 69 Ca 0.04 -1.60 -0.33 0.00 -2.02 0.00 0.00 58.31 54.40 2jxa n LYS 69 Cb 0.21 -1.34 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 2jxa n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2jxa s ILE 70 N -1.45 3.23 -1.01 -0.18 -1.09 -1.26 -4.68 121.20 114.76 2jxa s ILE 70 Ca 0.22 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.93 2jxa s ILE 70 Cb 0.15 -2.29 -0.06 0.00 -1.58 0.00 0.00 42.46 38.67 2jxa s ILE 70 CO 0.22 0.58 0.89 0.00 -1.23 0.00 0.00 174.94 175.41 2jxa n ASP 72 N -3.05 2.64 -0.48 0.00 -0.08 -1.26 -4.94 116.55 109.38 2jxa n ASP 72 Ca -0.06 1.07 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 2jxa n ASP 72 Cb 0.61 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.77 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jxa n ALA 73 N 4.25 0.00 -1.77 -1.67 0.00 -1.26 -5.12 120.51 114.94 2jxa n ALA 73 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 2jxa n ALA 73 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 2jxa n ALA 73 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jxa s ASP 74 N 0.17 6.39 0.45 0.00 1.47 -1.26 -4.87 116.67 119.03 2jxa s ASP 74 Ca 0.00 2.93 0.21 0.00 1.18 0.00 0.00 52.55 56.87 2jxa s ASP 74 Cb 0.00 -2.63 1.19 0.00 -0.34 0.00 0.00 42.92 41.14 2jxa s ASP 74 CO 0.00 -0.90 1.88 1.55 0.68 0.00 0.00 175.17 178.38 2jxa h PRO 75 N 4.91 0.28 -0.30 2.11 0.13 -2.00 -0.28 132.00 136.85 2jxa h PRO 75 Ca -0.47 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2jxa h PRO 75 Cb 1.22 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2jxa h PRO 75 CO 0.80 0.18 -0.15 0.74 -0.23 0.00 0.00 178.00 179.33 2jxa h PHE 76 N 0.29 0.58 -0.32 1.56 0.04 -1.96 0.26 116.94 117.38 2jxa h PHE 76 Ca 0.43 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.10 2jxa h PHE 76 Cb 1.23 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2jxa h PHE 76 CO -0.00 0.66 0.00 1.04 -0.60 0.00 0.00 178.31 179.41 2jxa n GLN 77 N -4.18 2.05 0.00 1.51 6.02 -0.14 -3.30 117.38 119.34 2jxa n GLN 77 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 2jxa n GLN 77 Cb 0.35 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.19 2jxa n GLN 77 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2jxa n MET 78 N 0.44 1.09 0.09 -1.09 2.81 -0.44 0.74 117.12 120.75 2jxa n MET 78 Ca 0.12 -0.16 -0.13 0.00 -1.81 0.00 0.00 57.70 55.71 2jxa n MET 78 Cb 0.39 -0.58 -0.07 0.00 -0.71 0.00 0.00 33.22 32.25 2jxa n MET 78 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2jxa h GLU 79 N 0.00 -0.12 -6.44 0.03 5.08 -0.54 -3.41 114.58 109.18 2jxa h GLU 79 Ca 0.00 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 2jxa h GLU 79 Cb 0.14 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2jxa h GLU 79 CO 0.00 -0.08 0.92 1.21 -1.00 0.00 0.00 179.01 180.06 2jxa s ASN 80 N -5.08 6.73 -0.43 1.42 2.47 -1.26 -4.89 114.94 113.90 2jxa s ASN 80 Ca -0.14 0.93 0.05 0.00 0.42 0.00 0.00 52.86 54.12 2jxa s ASN 80 Cb 0.06 -2.54 0.57 0.00 -1.45 0.00 0.00 41.25 37.88 2jxa s ASN 80 CO 0.65 -1.08 1.75 1.33 -3.72 0.00 0.00 177.10 176.04 2jxa n VAL 81 N 6.32 3.04 -3.43 -5.21 0.24 -1.26 -4.76 118.33 113.26 2jxa n VAL 81 Ca 0.13 -2.52 -0.27 0.00 -2.04 0.00 0.00 64.34 59.64 2jxa n VAL 81 Cb 0.47 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 32.14 2jxa n VAL 81 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2jxa s GLN 82 N -3.40 0.63 -0.12 7.34 -1.52 -0.94 -4.08 119.66 117.56 2jxa s GLN 82 Ca 0.54 -1.43 -0.05 0.00 -1.95 0.00 0.00 55.36 52.48 2jxa s GLN 82 Cb 0.46 -1.24 0.06 0.00 -0.22 0.00 0.00 33.01 32.06 2jxa s GLN 82 CO 0.05 -1.25 0.25 0.00 -0.25 0.00 0.00 175.29 174.09 2jxa s TYR 84 N 2.08 1.31 -0.36 0.00 1.51 -1.26 -2.40 117.35 118.23 2jxa s TYR 84 Ca -0.02 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 2jxa s TYR 84 Cb -0.12 -0.72 0.15 0.00 -0.11 0.00 0.00 41.96 41.17 2jxa s TYR 84 CO -0.08 0.10 0.30 -1.17 -1.11 0.00 0.00 175.55 173.59 2jxa s LEU 85 N -2.06 0.37 0.23 -1.29 2.96 -1.22 -4.93 118.68 112.73 2jxa s LEU 85 Ca 0.03 -1.82 -0.08 0.00 -0.22 0.00 0.00 54.13 52.04 2jxa s LEU 85 Cb -0.08 0.16 0.38 0.00 0.50 0.00 0.00 46.19 47.15 2jxa s LEU 85 CO 0.03 -0.28 1.67 -0.65 -1.32 0.00 0.00 176.35 175.79 2jxa h PRO 86 N 7.07 0.16 -0.30 0.98 0.11 -1.93 -1.34 132.00 136.75 2jxa h PRO 86 Ca 0.05 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.24 2jxa h PRO 86 Cb 1.02 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2jxa h PRO 86 CO 0.23 0.11 0.23 -0.44 -0.21 0.00 0.00 178.00 177.92 2jxa h ASP 87 N 0.17 0.00 -0.81 -2.05 3.32 -1.96 -1.50 116.42 113.59 2jxa h ASP 87 Ca 0.37 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.63 2jxa h ASP 87 Cb 0.63 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2jxa h ASP 87 CO -0.55 0.00 0.56 0.00 -1.72 0.00 0.00 179.24 177.54 2jxa h ALA 88 N 1.82 2.50 -0.70 3.45 0.00 -1.56 0.88 119.26 125.65 2jxa h ALA 88 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jxa h ALA 88 Cb 0.60 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2jxa h ALA 88 CO -0.00 -0.74 0.18 0.35 0.00 0.00 0.00 179.25 179.04 2jxa h PHE 89 N 0.17 1.17 -0.54 0.00 3.57 -1.33 -2.67 116.94 117.31 2jxa h PHE 89 Ca 0.40 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 2jxa h PHE 89 Cb 1.31 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 2jxa h PHE 89 CO -0.00 0.95 -0.03 1.57 -2.23 0.00 0.00 178.31 178.56 2jxa h LYS 90 N 1.06 0.97 0.03 1.11 2.10 -0.98 -1.76 116.57 119.09 2jxa h LYS 90 Ca 0.22 -0.33 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2jxa h LYS 90 Cb 0.36 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2jxa h LYS 90 CO 0.00 1.00 -0.02 0.82 -2.00 0.00 0.00 179.45 179.25 2jxa h ILE 91 N 0.85 0.96 -0.14 0.07 2.04 -1.29 -0.68 117.51 119.32 2jxa h ILE 91 Ca 0.15 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 2jxa h ILE 91 Cb 0.58 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2jxa h ILE 91 CO 0.03 0.00 -0.35 0.24 0.00 0.00 0.00 178.15 178.08 2jxa h MET 92 N -0.04 0.28 -0.24 2.37 2.86 -1.48 -2.44 114.93 116.22 2jxa h MET 92 Ca -0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2jxa h MET 92 Cb 0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2jxa h MET 92 CO 0.00 0.59 0.11 0.77 1.06 0.00 0.00 176.91 179.45 2jxa h SER 93 N 0.24 0.32 0.05 1.22 0.02 -0.94 -0.27 113.55 114.18 2jxa h SER 93 Ca 0.03 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 2jxa h SER 93 Cb 0.73 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2jxa h SER 93 CO 0.06 0.36 -0.29 1.56 -1.14 0.00 0.00 176.83 177.38 2jxa h GLN 94 N 0.26 0.37 0.05 3.45 4.20 -1.02 0.52 115.11 122.94 2jxa h GLN 94 Ca 0.08 -0.14 -0.24 0.00 0.06 0.00 0.00 58.65 58.42 2jxa h GLN 94 Cb 0.13 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2jxa h GLN 94 CO -0.01 0.63 -1.09 0.00 -0.67 0.00 0.00 178.83 177.69 2jxa h ARG 95 N 0.33 0.12 0.00 1.46 3.08 -1.23 -3.39 114.38 114.75 2jxa h ARG 95 Ca 0.05 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2jxa h ARG 95 Cb 0.68 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2jxa h ARG 95 CO 0.05 1.09 -0.95 0.00 -1.07 0.00 0.00 179.97 179.09 2jxa s ASN 97 N -2.37 6.37 -0.58 0.00 0.01 0.17 -1.70 114.94 116.84 2jxa s ASN 97 Ca -0.01 2.89 0.00 0.00 -0.71 0.00 0.00 52.86 55.04 2jxa s ASN 97 Cb 0.05 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2jxa s ASN 97 CO 0.28 -0.97 0.00 0.59 -1.51 0.00 0.00 177.10 175.49 2jxa n ASN 98 N 3.67 -4.55 -4.50 -1.22 4.13 0.53 -4.95 115.26 108.37 2jxa n ASN 98 Ca 0.15 0.13 -0.30 0.00 1.68 0.00 0.00 54.58 56.24 2jxa n ASN 98 Cb 0.35 -2.53 -0.12 0.00 -1.54 0.00 0.00 39.78 35.95 2jxa n ASN 98 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2jxa s ARG 99 N -1.99 2.08 0.24 3.52 0.52 -0.69 -4.76 118.95 117.87 2jxa s ARG 99 Ca 0.00 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.27 2jxa s ARG 99 Cb 0.00 -2.23 0.26 0.00 0.52 0.00 0.00 34.95 33.51 2jxa s ARG 99 CO 0.00 0.53 1.56 1.15 0.02 0.00 0.00 175.30 178.57 2jxa h THR 100 N 3.74 1.40 -2.85 0.02 2.02 -1.86 0.81 112.91 116.19 2jxa h THR 100 Ca -0.48 -2.04 -0.07 0.00 0.77 0.00 0.00 66.41 64.59 2jxa h THR 100 Cb 1.16 2.05 -0.16 0.00 -1.74 0.00 0.00 68.15 69.46 2jxa h THR 100 CO 0.49 0.60 -0.02 0.00 0.37 0.00 0.00 175.52 176.96 2jxa s GLN 101 N -3.70 0.99 -0.05 6.66 1.03 -1.26 0.01 119.66 123.33 2jxa s GLN 101 Ca -0.03 -0.27 -0.20 0.00 0.04 0.00 0.00 55.36 54.89 2jxa s GLN 101 Cb 0.12 0.45 0.04 0.00 0.03 0.00 0.00 33.01 33.65 2jxa s GLN 101 CO 0.79 -0.35 0.45 0.00 -2.54 0.00 0.00 175.29 173.65 2jxa s VAL 103 N -1.06 1.24 -0.02 0.00 1.01 -1.26 -1.84 120.40 118.47 2jxa s VAL 103 Ca -0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2jxa s VAL 103 Cb -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.19 2jxa s VAL 103 CO 0.06 0.39 0.08 -0.69 0.00 0.00 0.00 175.10 174.93 2jxa s VAL 104 N 1.00 0.03 -0.24 2.92 1.01 -0.84 -4.94 120.40 119.35 2jxa s VAL 104 Ca -0.08 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 2jxa s VAL 104 Cb -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2jxa s VAL 104 CO -0.01 -0.14 1.19 -0.69 0.00 0.00 0.00 175.10 175.46 2jxa s VAL 105 N -0.41 4.37 0.00 2.92 1.01 -1.26 -0.35 120.40 126.68 2jxa s VAL 105 Ca -0.05 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.54 2jxa s VAL 105 Cb -0.03 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2jxa s VAL 105 CO 0.00 -0.29 1.68 0.00 0.00 0.00 0.00 175.10 176.49 2jxa n ALA 106 N 6.84 3.47 0.00 5.51 0.00 0.06 -4.62 120.51 131.77 2jxa n ALA 106 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2jxa n ALA 106 Cb 0.46 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2jxa n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jxa n GLY 107 N 2.16 -0.30 2.85 0.00 0.00 -1.26 -1.84 105.19 106.80 2jxa n GLY 107 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2jxa n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxa n SER 108 N 0.00 0.00 0.00 1.61 2.88 -1.26 -0.19 113.62 116.66 2jxa n SER 108 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2jxa n SER 108 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 2jxa n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jxa n ASP 109 N -1.63 0.02 0.10 -3.46 8.00 -1.26 -1.86 116.55 116.46 2jxa n ASP 109 Ca 0.00 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.13 2jxa n ASP 109 Cb 0.00 -0.51 0.45 0.00 -0.02 0.00 0.00 41.12 41.04 2jxa n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxa n ALA 110 N -1.51 2.06 -3.73 2.24 0.00 -0.08 -4.71 120.51 114.78 2jxa n ALA 110 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2jxa n ALA 110 Cb 0.07 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 2jxa n ALA 110 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jxa s PHE 111 N -3.15 -0.16 0.00 0.00 0.40 0.74 -4.85 117.98 110.95 2jxa s PHE 111 Ca 0.09 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 2jxa s PHE 111 Cb 0.12 -0.08 0.00 0.00 0.51 0.00 0.00 43.02 43.57 2jxa s PHE 111 CO 0.51 -0.17 0.00 -2.30 0.70 0.00 0.00 175.22 173.96 2jxa n PRO 112 N 4.19 2.36 -3.50 0.24 -0.02 -1.26 -4.60 135.00 132.40 2jxa n PRO 112 Ca -0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 2jxa n PRO 112 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.87 2jxa n PRO 112 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxa s ASP 113 N -2.61 3.15 -0.03 2.55 2.15 -1.26 -4.95 116.67 115.67 2jxa s ASP 113 Ca 0.00 -2.06 -0.09 0.00 0.43 0.00 0.00 52.55 50.83 2jxa s ASP 113 Cb 0.00 -0.46 -0.30 0.00 -0.30 0.00 0.00 42.92 41.86 2jxa s ASP 113 CO 0.00 -0.33 0.75 1.55 -0.17 0.00 0.00 175.17 176.97 2jxa h PRO 114 N 7.25 0.37 -2.31 4.34 0.13 -1.93 -3.43 132.00 136.42 2jxa h PRO 114 Ca 0.01 -0.64 -0.54 0.00 -0.87 0.00 0.00 66.00 63.96 2jxa h PRO 114 Cb 0.97 0.24 -0.36 0.00 0.13 0.00 0.00 31.00 31.98 2jxa h PRO 114 CO 0.32 1.28 -0.88 0.00 -0.23 0.00 0.00 178.00 178.49 2jxa s PRO 116 N 0.59 4.30 0.00 0.00 0.02 -1.26 -3.26 135.00 135.39 2jxa s PRO 116 Ca 0.26 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2jxa s PRO 116 Cb -0.07 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2jxa s PRO 116 CO -0.10 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 2jxa n GLY 117 N 0.77 0.58 3.52 0.52 0.00 -1.26 -5.07 105.19 104.26 2jxa n GLY 117 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2jxa n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jxa s THR 118 N -2.33 3.15 -0.75 2.61 2.01 -1.20 -4.36 115.64 114.77 2jxa s THR 118 Ca 0.00 -1.12 -0.22 0.00 0.31 0.00 0.00 61.69 60.66 2jxa s THR 118 Cb 0.00 -2.38 0.08 0.00 0.01 0.00 0.00 72.50 70.21 2jxa s THR 118 CO 0.00 0.28 1.05 -0.47 -0.69 0.00 0.00 174.62 174.79 2jxa s TYR 119 N -1.03 2.74 0.00 4.92 5.04 0.23 -4.99 117.35 124.26 2jxa s TYR 119 Ca 0.17 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 2jxa s TYR 119 Cb -0.11 -4.34 0.00 0.00 0.35 0.00 0.00 41.96 37.87 2jxa s TYR 119 CO 0.08 -1.66 0.00 1.63 -1.34 0.00 0.00 175.55 174.26 2jxa n LYS 120 N 7.62 0.10 -3.65 4.97 5.02 -1.26 -4.87 118.16 126.10 2jxa n LYS 120 Ca 0.05 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.28 2jxa n LYS 120 Cb 0.47 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.46 2jxa n LYS 120 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2jxa s TYR 121 N -0.58 -0.25 -0.09 2.13 -0.85 0.19 -2.53 117.35 115.36 2jxa s TYR 121 Ca 0.00 -0.00 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 2jxa s TYR 121 Cb 0.00 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.96 2jxa s TYR 121 CO 0.00 -0.79 -0.12 -1.17 -1.52 0.00 0.00 175.55 171.96 2jxa s LEU 122 N -2.77 1.55 -0.10 -3.49 2.96 -0.60 -1.34 118.68 114.89 2jxa s LEU 122 Ca 0.08 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2jxa s LEU 122 Cb -0.02 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.79 2jxa s LEU 122 CO -0.03 -0.01 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.13 2jxa s GLU 123 N 1.01 2.29 -0.06 1.98 2.12 -0.79 -2.10 118.70 123.14 2jxa s GLU 123 Ca -0.08 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.66 2jxa s GLU 123 Cb -0.15 -1.87 0.02 0.00 0.26 0.00 0.00 34.13 32.39 2jxa s GLU 123 CO -0.01 0.01 -0.07 0.08 -0.54 0.00 0.00 175.26 174.73 2jxa s VAL 124 N 0.76 0.80 -0.13 3.70 1.01 -0.78 -1.31 120.40 124.45 2jxa s VAL 124 Ca -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2jxa s VAL 124 Cb -0.16 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2jxa s VAL 124 CO 0.02 0.29 -0.05 -1.10 0.00 0.00 0.00 175.10 174.26 2jxa s GLN 125 N 0.96 3.45 0.29 2.72 1.11 0.16 -2.36 119.66 125.99 2jxa s GLN 125 Ca -0.10 -0.54 -0.17 0.00 0.01 0.00 0.00 55.36 54.56 2jxa s GLN 125 Cb -0.15 -2.82 0.02 0.00 -1.01 0.00 0.00 33.01 29.05 2jxa s GLN 125 CO 0.00 0.33 0.64 1.52 0.01 0.00 0.00 175.29 177.80 2jxa s TYR 126 N 0.10 0.09 0.19 0.91 1.13 -0.07 -1.05 117.35 118.65 2jxa s TYR 126 Ca -0.01 -0.54 0.05 0.00 -1.41 0.00 0.00 57.07 55.16 2jxa s TYR 126 Cb -0.14 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.20 2jxa s TYR 126 CO 0.03 -1.21 -0.10 -0.51 -2.51 0.00 0.00 175.55 171.26 2jxa s ASP 127 N -2.99 2.10 -0.18 -0.18 1.01 -0.92 -0.22 116.67 115.30 2jxa s ASP 127 Ca 0.16 -1.06 -0.02 0.00 0.71 0.00 0.00 52.55 52.35 2jxa s ASP 127 Cb -0.04 -0.06 -0.01 0.00 1.01 0.00 0.00 42.92 43.82 2jxa s ASP 127 CO 0.09 -0.31 -0.09 0.00 0.21 0.00 0.00 175.17 175.07 2jxa s VAL 129 N 0.94 2.10 0.36 0.00 -7.23 -0.89 -4.80 120.40 110.87 2jxa s VAL 129 Ca -0.02 -2.14 -0.27 0.00 -1.81 0.00 0.00 61.98 57.74 2jxa s VAL 129 Cb -0.15 -2.07 -0.12 0.00 0.56 0.00 0.00 36.38 34.60 2jxa s VAL 129 CO -0.00 -0.36 1.22 -2.65 -0.31 0.00 0.00 175.10 173.00 2jxa n PRO 130 N -0.11 1.91 0.00 4.82 -0.02 -1.26 0.18 135.00 140.52 2jxa n PRO 130 Ca -0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2jxa n PRO 130 Cb 0.58 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2jxa n PRO 130 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2jxa n TYR 131 N 0.12 0.00 -4.01 6.00 4.19 -0.80 -4.64 117.16 118.03 2jxa n TYR 131 Ca 0.06 0.00 -0.35 0.00 3.31 0.00 0.00 57.90 60.92 2jxa n TYR 131 Cb 0.37 0.00 -0.09 0.00 0.49 0.00 0.00 39.34 40.10 2jxa n TYR 131 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2jxa s LYS 132 N -0.26 3.84 -0.10 2.98 1.02 -1.26 -5.03 119.74 120.93 2jxa s LYS 132 Ca 0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 55.97 55.52 2jxa s LYS 132 Cb 0.00 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 2jxa s LYS 132 CO 0.00 0.38 0.39 0.54 -0.92 0.00 0.00 175.35 175.74 2jxa s VAL 133 N 0.08 5.18 0.00 3.17 0.11 -1.26 -5.16 120.40 122.52 2jxa s VAL 133 Ca 0.06 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 2jxa s VAL 133 Cb -0.12 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2jxa s VAL 133 CO 0.01 0.43 0.00 1.21 -3.33 0.00 0.00 175.10 173.41