#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 -5.36 -4.70 0.99 0.00 -1.26 -4.93 117.00 101.74 2jxa n LEU 30 Ca 0.00 -0.45 -0.42 0.00 0.00 0.00 0.00 56.01 55.14 2jxa n LEU 30 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 43.42 40.55 2jxa n LEU 30 CO 0.00 -0.20 1.08 -2.16 0.00 0.00 0.00 177.39 176.11 2jxa s PRO 31 N -3.85 4.31 0.02 1.96 0.04 -1.26 -4.90 135.00 131.31 2jxa s PRO 31 Ca 0.28 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.62 2jxa s PRO 31 Cb -0.04 -3.39 0.89 0.00 0.04 0.00 0.00 34.50 32.01 2jxa s PRO 31 CO 0.63 -0.48 1.69 0.34 0.04 0.00 0.00 177.00 179.22 2jxa n PHE 32 N 4.52 0.09 -0.83 0.56 -0.00 -1.26 -4.90 117.46 115.64 2jxa n PHE 32 Ca 0.12 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 2jxa n PHE 32 Cb 0.43 -0.44 0.00 0.00 -0.00 0.00 0.00 39.48 39.47 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2jxa n GLY 33 N 1.48 0.60 3.30 7.13 0.00 -1.26 -4.98 105.19 111.46 2jxa n GLY 33 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2jxa n GLY 33 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jxa s LEU 34 N 0.00 -0.99 0.40 0.99 2.34 -1.26 -5.12 118.68 115.04 2jxa s LEU 34 Ca 0.00 0.89 0.00 0.00 0.06 0.00 0.00 54.13 55.08 2jxa s LEU 34 Cb 0.00 1.94 0.00 0.00 -0.56 0.00 0.00 46.19 47.57 2jxa s LEU 34 CO 0.00 -0.19 0.00 0.23 -1.06 0.00 0.00 176.35 175.33 2jxa n MET 35 N 5.36 -4.73 -3.93 1.48 2.81 -1.26 -4.97 117.12 111.87 2jxa n MET 35 Ca -0.06 3.45 -0.26 0.00 -1.81 0.00 0.00 57.70 59.01 2jxa n MET 35 Cb 0.51 -3.88 -0.03 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 -2.40 3.44 -0.13 0.03 0.52 -0.78 -4.59 118.95 115.04 2jxa s ARG 36 Ca 0.00 -0.58 -0.14 0.00 -0.52 0.00 0.00 55.73 54.49 2jxa s ARG 36 Cb 0.00 -2.96 0.04 0.00 0.52 0.00 0.00 34.95 32.54 2jxa s ARG 36 CO 0.00 0.52 0.39 0.50 0.02 0.00 0.00 175.30 176.72 2jxa s ARG 37 N -3.22 0.48 0.03 3.54 3.52 -1.26 -1.88 118.95 120.15 2jxa s ARG 37 Ca 0.35 0.47 0.04 0.00 -0.13 0.00 0.00 55.73 56.45 2jxa s ARG 37 Cb -0.11 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 2jxa s ARG 37 CO 0.29 -0.07 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.39 2jxa s GLU 38 N 0.05 0.76 -0.00 5.12 2.02 -0.85 -5.00 118.70 120.80 2jxa s GLU 38 Ca -0.01 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.36 2jxa s GLU 38 Cb -0.03 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.49 2jxa s GLU 38 CO 0.01 0.17 -0.01 -1.17 0.02 0.00 0.00 175.26 174.28 2jxa s LEU 39 N -0.97 1.92 0.01 1.80 0.20 -1.26 -1.21 118.68 119.17 2jxa s LEU 39 Ca -0.01 -0.03 0.00 0.00 0.69 0.00 0.00 54.13 54.79 2jxa s LEU 39 Cb -0.07 -0.10 -0.01 0.00 -0.43 0.00 0.00 46.19 45.58 2jxa s LEU 39 CO 0.01 0.01 -0.03 0.00 -0.29 0.00 0.00 176.35 176.05 2jxa s ALA 40 N 0.06 0.18 0.26 5.97 0.00 -0.72 -4.98 121.76 122.52 2jxa s ALA 40 Ca -0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2jxa s ALA 40 Cb -0.02 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 2jxa s ALA 40 CO -0.00 -0.05 1.25 0.00 0.00 0.00 0.00 175.76 176.95 2jxa n GLU 42 N 1.73 0.43 -0.17 0.00 2.13 -1.24 -1.95 120.64 121.56 2jxa n GLU 42 Ca 0.02 0.15 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2jxa n GLU 42 Cb 0.43 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 1.85 0.86 3.51 8.31 0.00 -0.81 -4.92 105.19 113.99 2jxa n GLY 43 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.52 2.49 0.37 1.61 2.02 -0.82 -4.74 117.35 115.75 2jxa s TYR 44 Ca 0.00 -0.28 -0.26 0.00 -0.37 0.00 0.00 57.07 56.15 2jxa s TYR 44 Cb 0.00 -1.22 -0.09 0.00 -0.40 0.00 0.00 41.96 40.25 2jxa s TYR 44 CO 0.00 0.51 1.17 -1.25 -1.57 0.00 0.00 175.55 174.41 2jxa s PRO 45 N -2.75 4.21 0.11 -1.71 0.04 -1.26 -0.12 135.00 133.52 2jxa s PRO 45 Ca 0.23 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.24 2jxa s PRO 45 Cb -0.08 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 2jxa s PRO 45 CO 0.13 -0.20 -0.17 -1.50 0.04 0.00 0.00 177.00 175.30 2jxa s ILE 46 N -1.34 2.89 -0.07 0.56 2.07 0.14 -4.87 121.20 120.58 2jxa s ILE 46 Ca 0.54 -1.48 0.01 0.00 -1.41 0.00 0.00 60.65 58.30 2jxa s ILE 46 Cb -0.32 -2.33 0.02 0.00 0.13 0.00 0.00 42.46 39.97 2jxa s ILE 46 CO 0.41 0.11 -0.06 -0.70 -1.91 0.00 0.00 174.94 172.78 2jxa s GLU 47 N -2.14 1.12 0.01 3.50 2.12 -1.26 -2.01 118.70 120.04 2jxa s GLU 47 Ca 0.18 -0.16 0.05 0.00 0.36 0.00 0.00 54.97 55.39 2jxa s GLU 47 Cb -0.11 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.11 2jxa s GLU 47 CO 0.10 -0.13 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.05 2jxa s LEU 48 N 1.21 2.87 -0.14 2.70 1.43 -0.57 -4.98 118.68 121.20 2jxa s LEU 48 Ca -0.06 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2jxa s LEU 48 Cb -0.14 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.48 2jxa s LEU 48 CO -0.02 0.29 0.35 -0.13 0.23 0.00 0.00 176.35 177.07 2jxa s ARG 49 N -1.28 0.34 -0.11 1.70 0.52 -1.26 -2.12 118.95 116.74 2jxa s ARG 49 Ca 0.15 0.65 -0.07 0.00 -0.52 0.00 0.00 55.73 55.94 2jxa s ARG 49 Cb -0.11 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 2jxa s ARG 49 CO 0.05 -0.14 0.15 0.00 0.02 0.00 0.00 175.30 175.38 2jxa s PRO 51 N -1.07 1.02 4.91 0.00 0.04 -1.26 -4.61 135.00 134.03 2jxa s PRO 51 Ca 0.16 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2jxa s PRO 51 Cb -0.12 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2jxa s PRO 51 CO 0.05 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.03 2jxa n GLY 52 N -0.55 3.47 0.49 0.56 0.00 -1.26 -1.60 105.19 106.30 2jxa n GLY 52 Ca 0.08 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 5.86 1.76 -4.85 1.61 3.41 -1.26 -5.06 113.62 115.09 2jxa n SER 53 Ca 0.00 -3.35 -0.29 0.00 -0.26 0.00 0.00 58.87 54.97 2jxa n SER 53 Cb 0.00 -0.46 0.11 0.00 -0.26 0.00 0.00 64.21 63.60 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 -2.87 4.09 0.03 4.04 1.01 -0.63 -4.14 116.67 118.20 2jxa s ASP 54 Ca 0.33 0.88 0.06 0.00 0.71 0.00 0.00 52.55 54.53 2jxa s ASP 54 Cb 0.32 -1.42 -0.02 0.00 1.01 0.00 0.00 42.92 42.81 2jxa s ASP 54 CO -0.04 -2.18 -0.18 0.68 0.21 0.00 0.00 175.17 173.67 2jxa s VAL 55 N -3.43 1.41 0.29 -1.27 -7.23 -0.12 -4.36 120.40 105.70 2jxa s VAL 55 Ca 0.63 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.48 2jxa s VAL 55 Cb -0.13 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.48 2jxa s VAL 55 CO 0.51 0.19 1.29 -0.63 -0.31 0.00 0.00 175.10 176.15 2jxa s ILE 56 N -0.72 2.93 -0.28 -0.62 1.01 0.28 -2.41 121.20 121.40 2jxa s ILE 56 Ca 0.05 0.88 -0.01 0.00 0.00 0.00 0.00 60.65 61.57 2jxa s ILE 56 Cb -0.08 -3.56 0.09 0.00 0.01 0.00 0.00 42.46 38.92 2jxa s ILE 56 CO 0.01 0.19 0.07 0.00 0.00 0.00 0.00 174.94 175.21 2jxa s MET 57 N -1.23 0.74 0.06 2.79 0.23 -0.46 -1.36 119.30 120.06 2jxa s MET 57 Ca 0.51 -0.89 -0.31 0.00 -1.03 0.00 0.00 55.69 53.97 2jxa s MET 57 Cb -0.38 -2.03 -0.07 0.00 -1.53 0.00 0.00 34.83 30.82 2jxa s MET 57 CO 0.47 -0.88 1.55 0.08 -2.03 0.00 0.00 175.02 174.22 2jxa s VAL 58 N 1.68 3.24 -0.27 5.16 1.01 -1.26 -2.34 120.40 127.61 2jxa s VAL 58 Ca 0.06 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 2jxa s VAL 58 Cb -0.17 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 2jxa s VAL 58 CO -0.20 0.00 -0.35 -0.62 0.00 0.00 0.00 175.10 173.93 2jxa n GLU 59 N 5.33 0.58 -3.74 2.72 -0.58 -0.02 -4.95 120.64 119.98 2jxa n GLU 59 Ca 0.15 0.25 -0.14 0.00 -0.42 0.00 0.00 57.16 57.00 2jxa n GLU 59 Cb 0.41 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.73 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 -7.42 -0.26 -0.06 1.62 0.01 -1.06 -5.03 114.94 102.75 2jxa s ASN 60 Ca -0.38 0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 51.73 2jxa s ASN 60 Cb 0.14 0.41 0.11 0.00 0.41 0.00 0.00 41.25 42.32 2jxa s ASN 60 CO 0.48 -0.41 0.90 0.00 -1.51 0.00 0.00 177.10 176.56 2jxa s ALA 61 N -1.07 -1.85 -0.00 0.60 0.00 -1.26 -0.26 121.76 117.92 2jxa s ALA 61 Ca -0.11 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 2jxa s ALA 61 Cb -0.04 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.13 2jxa s ALA 61 CO 0.04 -0.53 0.41 1.21 0.00 0.00 0.00 175.76 176.88 2jxa s ASN 62 N -1.91 -0.30 -0.15 0.00 2.47 -0.69 -3.78 114.94 110.58 2jxa s ASN 62 Ca 0.01 0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.48 2jxa s ASN 62 Cb -0.01 0.39 0.02 0.00 -1.45 0.00 0.00 41.25 40.20 2jxa s ASN 62 CO -0.04 -0.55 -0.19 -0.47 -3.72 0.00 0.00 177.10 172.13 2jxa s TYR 63 N -1.67 2.52 -0.59 0.43 6.14 -1.26 -1.79 117.35 121.13 2jxa s TYR 63 Ca -0.10 -1.35 0.00 0.00 0.64 0.00 0.00 57.07 56.25 2jxa s TYR 63 Cb -0.03 -1.75 0.00 0.00 0.42 0.00 0.00 41.96 40.60 2jxa s TYR 63 CO 0.03 -0.66 0.00 0.41 0.64 0.00 0.00 175.55 175.97 2jxa n GLY 64 N 4.36 -0.27 3.06 8.97 0.00 -0.32 -3.29 105.19 117.70 2jxa n GLY 64 Ca -0.20 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 0.32 0.00 1.61 3.52 -0.92 0.10 118.95 121.59 2jxa s ARG 65 Ca 0.00 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 2jxa s ARG 65 Cb 0.00 -0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.28 2jxa s ARG 65 CO 0.00 -0.46 0.79 0.25 -0.81 0.00 0.00 175.30 175.08 2jxa n THR 66 N 5.37 0.60 -3.80 4.11 -2.24 -1.26 -0.64 114.28 116.42 2jxa n THR 66 Ca -0.06 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 60.92 2jxa n THR 66 Cb 0.50 0.71 -0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2jxa n THR 66 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jxa n ASP 67 N -0.30 -0.09 0.00 3.42 2.03 -1.26 -4.77 116.55 115.58 2jxa n ASP 67 Ca 0.00 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.14 2jxa n ASP 67 Cb 0.16 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 2jxa n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jxa n ASP 68 N -2.45 0.00 -1.09 1.67 5.68 -1.26 -4.57 116.55 114.53 2jxa n ASP 68 Ca 0.00 -0.73 0.10 0.00 -0.50 0.00 0.00 54.79 53.66 2jxa n ASP 68 Cb 0.05 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.00 2.71 -4.72 0.11 5.02 -1.26 -4.87 118.16 115.15 2jxa n LYS 69 Ca 0.00 -2.41 -0.33 0.00 -2.02 0.00 0.00 58.31 53.55 2jxa n LYS 69 Cb 0.18 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.04 3.36 -0.74 -0.18 -1.09 -1.26 -4.71 121.20 115.55 2jxa s ILE 70 Ca 0.39 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 2jxa s ILE 70 Cb 0.21 -2.38 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 2jxa s ILE 70 CO 0.27 0.57 0.67 0.00 -1.23 0.00 0.00 174.94 175.21 2jxa n ASP 72 N -1.86 2.84 -0.35 0.00 2.03 -1.26 -4.93 116.55 113.02 2jxa n ASP 72 Ca -0.08 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.18 2jxa n ASP 72 Cb 0.55 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jxa n ALA 73 N 6.51 0.00 -1.79 -1.67 0.00 -1.26 -5.11 120.51 117.19 2jxa n ALA 73 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 2jxa n ALA 73 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 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 0.34 6.45 0.41 0.00 -4.77 -1.26 -4.86 116.67 112.99 2jxa s ASP 74 Ca 0.00 2.90 0.11 0.00 -3.30 0.00 0.00 52.55 52.26 2jxa s ASP 74 Cb 0.00 -2.64 0.94 0.00 -1.09 0.00 0.00 42.92 40.13 2jxa s ASP 74 CO 0.00 -0.83 1.99 1.55 0.70 0.00 0.00 175.17 178.57 2jxa h PRO 75 N 4.28 0.49 -0.54 2.11 0.13 -1.99 -0.86 132.00 135.61 2jxa h PRO 75 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2jxa h PRO 75 Cb 1.23 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2jxa h PRO 75 CO 0.74 0.32 0.26 0.74 -0.23 0.00 0.00 178.00 179.84 2jxa h PHE 76 N 0.50 0.75 0.00 1.56 0.04 -1.97 0.26 116.94 118.08 2jxa h PHE 76 Ca 0.27 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2jxa h PHE 76 Cb 0.40 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2jxa h PHE 76 CO -0.00 0.55 -0.20 1.96 -0.60 0.00 0.00 178.31 180.02 2jxa h GLN 77 N 0.76 0.00 -0.05 1.51 4.20 -1.41 -3.22 115.11 116.90 2jxa h GLN 77 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2jxa h GLN 77 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2jxa h GLN 77 CO -0.03 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.80 2jxa n MET 78 N -2.79 2.26 0.07 1.46 2.81 -0.25 -1.92 117.12 118.76 2jxa n MET 78 Ca 0.04 -1.84 -0.13 0.00 -1.81 0.00 0.00 57.70 53.96 2jxa n MET 78 Cb 0.51 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.47 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 4.42 -0.14 -6.64 0.03 5.08 -0.57 -3.41 114.58 113.35 2jxa h GLU 79 Ca 0.00 0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.81 2jxa h GLU 79 Cb 0.94 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 2jxa h GLU 79 CO 0.00 0.10 0.94 1.21 -1.00 0.00 0.00 179.01 180.26 2jxa s ASN 80 N -5.28 6.64 -0.47 1.42 2.47 -1.26 -4.89 114.94 113.57 2jxa s ASN 80 Ca -0.15 0.60 0.03 0.00 0.42 0.00 0.00 52.86 53.77 2jxa s ASN 80 Cb 0.04 -2.55 0.57 0.00 -1.45 0.00 0.00 41.25 37.86 2jxa s ASN 80 CO 0.64 -1.23 1.82 1.33 -3.72 0.00 0.00 177.10 175.95 2jxa n VAL 81 N 6.74 3.16 -3.46 -5.21 0.24 -1.26 -4.73 118.33 113.81 2jxa n VAL 81 Ca 0.13 -2.50 -0.28 0.00 -2.04 0.00 0.00 64.34 59.65 2jxa n VAL 81 Cb 0.49 -0.67 -0.11 0.00 -1.47 0.00 0.00 33.84 32.08 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 -3.45 0.88 -0.14 7.34 -1.52 -0.96 -4.11 119.66 117.70 2jxa s GLN 82 Ca 0.56 -1.90 -0.05 0.00 -1.95 0.00 0.00 55.36 52.02 2jxa s GLN 82 Cb 0.47 -1.52 0.07 0.00 -0.22 0.00 0.00 33.01 31.81 2jxa s GLN 82 CO 0.05 -1.31 0.29 0.00 -0.25 0.00 0.00 175.29 174.07 2jxa s TYR 84 N 2.24 1.35 -0.39 0.00 1.51 -1.26 -2.16 117.35 118.64 2jxa s TYR 84 Ca -0.01 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.45 2jxa s TYR 84 Cb -0.12 -0.69 0.16 0.00 -0.11 0.00 0.00 41.96 41.20 2jxa s TYR 84 CO -0.09 0.13 0.34 -1.17 -1.11 0.00 0.00 175.55 173.65 2jxa s LEU 85 N -2.71 0.56 0.26 -1.29 2.96 -1.21 -4.89 118.68 112.36 2jxa s LEU 85 Ca 0.12 -2.20 -0.04 0.00 -0.22 0.00 0.00 54.13 51.78 2jxa s LEU 85 Cb -0.02 0.09 0.53 0.00 0.50 0.00 0.00 46.19 47.29 2jxa s LEU 85 CO 0.02 -0.23 1.63 -0.65 -1.32 0.00 0.00 176.35 175.80 2jxa h PRO 86 N 6.48 0.12 -0.60 0.98 0.11 -1.91 0.14 132.00 137.32 2jxa h PRO 86 Ca 0.12 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.39 2jxa h PRO 86 Cb 0.99 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2jxa h PRO 86 CO 0.25 0.08 0.43 -0.44 -0.21 0.00 0.00 178.00 178.11 2jxa h ASP 87 N 0.12 0.02 -0.75 -2.05 3.32 -1.95 -0.01 116.42 115.12 2jxa h ASP 87 Ca 0.47 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.72 2jxa h ASP 87 Cb 0.87 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.38 2jxa h ASP 87 CO -0.69 0.01 0.53 0.00 -1.72 0.00 0.00 179.24 177.37 2jxa h ALA 88 N 1.70 2.55 -0.64 3.45 0.00 -1.28 0.15 119.26 125.20 2jxa h ALA 88 Ca 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2jxa h ALA 88 Cb 1.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2jxa h ALA 88 CO -0.01 -0.77 0.19 0.35 0.00 0.00 0.00 179.25 179.01 2jxa h PHE 89 N 0.11 1.05 -0.50 0.00 3.57 -1.08 -2.53 116.94 117.56 2jxa h PHE 89 Ca 0.37 -0.11 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 2jxa h PHE 89 Cb 1.29 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2jxa h PHE 89 CO -0.00 0.85 -0.19 1.57 -2.23 0.00 0.00 178.31 178.32 2jxa h LYS 90 N 0.94 1.00 -0.01 1.11 2.10 -0.85 -1.83 116.57 119.02 2jxa h LYS 90 Ca 0.21 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2jxa h LYS 90 Cb 0.31 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2jxa h LYS 90 CO -0.01 1.09 0.01 0.82 -2.00 0.00 0.00 179.45 179.36 2jxa h ILE 91 N 0.87 1.01 -0.34 0.07 2.04 -1.21 -1.50 117.51 118.44 2jxa h ILE 91 Ca 0.12 -0.03 -0.16 0.00 1.00 0.00 0.00 64.86 65.79 2jxa h ILE 91 Cb 0.76 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2jxa h ILE 91 CO 0.06 0.01 -0.41 0.24 0.00 0.00 0.00 178.15 178.05 2jxa h MET 92 N 0.01 0.85 -0.55 2.37 2.86 -1.47 -2.06 114.93 116.95 2jxa h MET 92 Ca 0.01 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2jxa h MET 92 Cb 0.01 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2jxa h MET 92 CO -0.00 1.10 0.35 0.77 1.06 0.00 0.00 176.91 180.18 2jxa h SER 93 N 0.69 0.64 -0.44 1.22 0.02 -1.23 0.54 113.55 114.99 2jxa h SER 93 Ca 0.05 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2jxa h SER 93 Cb 0.99 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2jxa h SER 93 CO 0.10 0.49 0.04 1.56 -1.14 0.00 0.00 176.83 177.88 2jxa h GLN 94 N 0.74 0.82 0.02 3.45 4.20 -1.22 0.71 115.11 123.83 2jxa h GLN 94 Ca 0.20 -0.21 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 2jxa h GLN 94 Cb -0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2jxa h GLN 94 CO -0.04 0.80 -0.99 0.00 -0.67 0.00 0.00 178.83 177.93 2jxa h ARG 95 N 0.78 0.08 0.00 1.46 3.08 -0.68 -3.37 114.38 115.73 2jxa h ARG 95 Ca 0.16 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jxa h ARG 95 Cb 0.41 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2jxa h ARG 95 CO 0.01 1.00 -0.78 0.00 -1.07 0.00 0.00 179.97 179.14 2jxa s ASN 97 N -2.29 6.59 -0.54 0.00 -0.87 0.25 -2.28 114.94 115.80 2jxa s ASN 97 Ca 0.01 2.63 0.00 0.00 -1.57 0.00 0.00 52.86 53.93 2jxa s ASN 97 Cb 0.07 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2jxa s ASN 97 CO 0.39 -0.80 0.00 0.59 -2.57 0.00 0.00 177.10 174.70 2jxa n ASN 98 N 3.60 -4.80 -4.54 -1.22 4.13 -0.47 -4.96 115.26 107.01 2jxa n ASN 98 Ca 0.12 0.13 -0.31 0.00 1.68 0.00 0.00 54.58 56.20 2jxa n ASN 98 Cb 0.39 -2.74 -0.11 0.00 -1.54 0.00 0.00 39.78 35.77 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 -1.98 2.26 0.29 3.52 0.52 -0.97 -4.82 118.95 117.78 2jxa s ARG 99 Ca 0.00 -0.90 0.08 0.00 -0.52 0.00 0.00 55.73 54.39 2jxa s ARG 99 Cb 0.00 -2.33 0.43 0.00 0.52 0.00 0.00 34.95 33.56 2jxa s ARG 99 CO 0.00 0.55 1.67 1.15 0.02 0.00 0.00 175.30 178.69 2jxa h THR 100 N 3.69 1.35 -3.34 0.02 2.02 -1.86 0.81 112.91 115.60 2jxa h THR 100 Ca -0.48 -1.73 -0.07 0.00 0.77 0.00 0.00 66.41 64.90 2jxa h THR 100 Cb 1.16 1.87 -0.15 0.00 -1.74 0.00 0.00 68.15 69.30 2jxa h THR 100 CO 0.51 0.51 -0.15 0.00 0.37 0.00 0.00 175.52 176.75 2jxa s GLN 101 N -3.93 0.95 -0.21 6.66 1.03 -1.26 -0.48 119.66 122.42 2jxa s GLN 101 Ca -0.03 -0.62 -0.18 0.00 0.04 0.00 0.00 55.36 54.56 2jxa s GLN 101 Cb 0.13 0.42 0.06 0.00 0.03 0.00 0.00 33.01 33.64 2jxa s GLN 101 CO 0.77 -0.34 0.55 0.00 -2.54 0.00 0.00 175.29 173.73 2jxa s VAL 103 N 0.48 1.66 -0.01 0.00 1.01 -1.26 -1.51 120.40 120.77 2jxa s VAL 103 Ca -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2jxa s VAL 103 Cb -0.04 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2jxa s VAL 103 CO -0.02 0.47 0.11 -0.69 0.00 0.00 0.00 175.10 174.98 2jxa s VAL 104 N 0.48 0.06 -0.24 2.92 1.01 -0.85 -4.92 120.40 118.85 2jxa s VAL 104 Ca -0.17 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2jxa s VAL 104 Cb -0.17 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2jxa s VAL 104 CO 0.07 -0.28 1.06 -0.69 0.00 0.00 0.00 175.10 175.25 2jxa s VAL 105 N -0.96 4.63 0.00 2.92 1.01 -1.26 0.23 120.40 126.97 2jxa s VAL 105 Ca -0.11 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.83 2jxa s VAL 105 Cb -0.06 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2jxa s VAL 105 CO 0.01 -0.22 0.66 0.00 0.00 0.00 0.00 175.10 175.55 2jxa n ALA 106 N 6.42 2.31 0.00 5.51 0.00 0.82 -4.67 120.51 130.90 2jxa n ALA 106 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jxa n ALA 106 Cb 0.46 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.75 -1.01 7.00 0.00 0.00 -1.26 -1.92 105.19 109.75 2jxa n GLY 107 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.19 0.00 1.61 2.88 -1.26 -1.54 113.62 115.12 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 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 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 -3.64 0.00 0.11 -3.46 8.00 -1.26 -2.21 116.55 114.09 2jxa n ASP 109 Ca 0.00 0.46 0.13 0.00 0.71 0.00 0.00 54.79 56.09 2jxa n ASP 109 Cb 0.00 -0.48 0.44 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.48 2.05 -3.73 2.24 0.00 -0.59 -4.71 120.51 114.29 2jxa n ALA 110 Ca 0.02 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2jxa n ALA 110 Cb 0.08 -1.44 -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 -3.17 -0.19 0.00 0.00 0.08 -0.94 -4.93 117.98 108.83 2jxa s PHE 111 Ca 0.08 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.67 2jxa s PHE 111 Cb 0.11 -0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2jxa s PHE 111 CO 0.52 -0.19 0.00 -2.30 -0.10 0.00 0.00 175.22 173.14 2jxa n PRO 112 N 4.38 2.72 -3.53 0.24 -0.02 -1.26 -4.65 135.00 132.88 2jxa n PRO 112 Ca -0.23 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 60.96 2jxa n PRO 112 Cb 0.51 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 -2.71 3.25 -0.07 2.55 2.15 -1.26 -4.96 116.67 115.62 2jxa s ASP 113 Ca 0.00 -2.04 -0.15 0.00 0.43 0.00 0.00 52.55 50.78 2jxa s ASP 113 Cb 0.00 -0.52 -0.29 0.00 -0.30 0.00 0.00 42.92 41.81 2jxa s ASP 113 CO 0.00 -0.34 0.67 1.55 -0.17 0.00 0.00 175.17 176.88 2jxa h PRO 114 N 7.31 0.32 -2.24 4.34 0.13 -1.92 -3.43 132.00 136.51 2jxa h PRO 114 Ca -0.01 -0.54 -0.58 0.00 -0.87 0.00 0.00 66.00 63.99 2jxa h PRO 114 Cb 0.97 0.20 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 2jxa h PRO 114 CO 0.34 1.26 -0.97 0.00 -0.23 0.00 0.00 178.00 178.40 2jxa s PRO 116 N -0.80 4.22 0.00 0.00 0.04 -1.26 -2.63 135.00 134.56 2jxa s PRO 116 Ca 0.34 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2jxa s PRO 116 Cb 0.10 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2jxa s PRO 116 CO -0.14 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2jxa n GLY 117 N 2.16 0.33 3.52 0.56 0.00 -1.26 -5.08 105.19 105.42 2jxa n GLY 117 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.11 -0.78 2.61 2.01 -1.08 -4.44 115.64 115.07 2jxa s THR 118 Ca 0.00 -1.19 -0.22 0.00 0.31 0.00 0.00 61.69 60.59 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 0.25 1.10 -0.47 -0.69 0.00 0.00 174.62 174.81 2jxa s TYR 119 N -1.05 2.72 0.00 4.92 5.04 -0.81 -4.98 117.35 123.19 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 -4.38 0.00 0.00 0.35 0.00 0.00 41.96 37.82 2jxa s TYR 119 CO 0.09 -1.70 0.00 1.63 -1.34 0.00 0.00 175.55 174.23 2jxa n LYS 120 N 7.77 1.50 -3.72 4.97 5.02 -1.26 -4.82 118.16 127.62 2jxa n LYS 120 Ca 0.08 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.39 2jxa n LYS 120 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 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 0.00 -0.02 -0.09 2.13 -0.85 0.29 -3.65 117.35 115.15 2jxa s TYR 121 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.45 2jxa s TYR 121 Cb 0.00 0.56 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2jxa s TYR 121 CO 0.00 -0.31 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.49 2jxa s LEU 122 N -3.20 1.17 -0.10 -3.49 2.96 -0.80 -1.18 118.68 114.04 2jxa s LEU 122 Ca 0.18 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2jxa s LEU 122 Cb 0.03 -0.73 -0.00 0.00 0.50 0.00 0.00 46.19 45.99 2jxa s LEU 122 CO -0.03 -0.10 -0.22 -0.70 -1.32 0.00 0.00 176.35 173.98 2jxa s GLU 123 N 1.50 3.06 -0.06 1.98 2.12 -0.74 -1.75 118.70 124.79 2jxa s GLU 123 Ca 0.00 -0.85 -0.00 0.00 0.36 0.00 0.00 54.97 54.48 2jxa s GLU 123 Cb -0.13 -2.34 0.02 0.00 0.26 0.00 0.00 34.13 31.94 2jxa s GLU 123 CO -0.05 0.20 -0.03 0.08 -0.54 0.00 0.00 175.26 174.93 2jxa s VAL 124 N 0.29 0.50 -0.14 3.70 1.01 -0.35 -1.70 120.40 123.71 2jxa s VAL 124 Ca -0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2jxa s VAL 124 Cb -0.17 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2jxa s VAL 124 CO 0.08 0.25 -0.04 -1.10 0.00 0.00 0.00 175.10 174.29 2jxa s GLN 125 N 1.47 3.55 0.31 2.72 1.11 0.64 -2.01 119.66 127.45 2jxa s GLN 125 Ca -0.02 -0.52 -0.13 0.00 0.01 0.00 0.00 55.36 54.70 2jxa s GLN 125 Cb -0.13 -2.87 0.02 0.00 -1.01 0.00 0.00 33.01 29.01 2jxa s GLN 125 CO -0.03 0.30 0.60 1.52 0.01 0.00 0.00 175.29 177.70 2jxa s TYR 126 N 0.19 0.32 0.18 0.91 1.13 -0.79 -0.84 117.35 118.46 2jxa s TYR 126 Ca -0.02 -0.76 0.04 0.00 -1.41 0.00 0.00 57.07 54.92 2jxa s TYR 126 Cb -0.14 0.40 -0.05 0.00 -1.10 0.00 0.00 41.96 41.07 2jxa s TYR 126 CO 0.03 -1.21 -0.05 -0.51 -2.51 0.00 0.00 175.55 171.30 2jxa s ASP 127 N -3.05 1.75 -0.25 -0.18 1.01 -0.99 -1.87 116.67 113.10 2jxa s ASP 127 Ca 0.20 -1.11 -0.04 0.00 0.71 0.00 0.00 52.55 52.31 2jxa s ASP 127 Cb -0.03 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.91 2jxa s ASP 127 CO 0.11 -0.42 -0.01 0.00 0.21 0.00 0.00 175.17 175.06 2jxa s VAL 129 N 1.46 2.46 0.61 0.00 -7.23 -1.01 -4.83 120.40 111.86 2jxa s VAL 129 Ca 0.04 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 57.89 2jxa s VAL 129 Cb -0.16 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2jxa s VAL 129 CO -0.02 -0.21 1.00 -2.65 -0.31 0.00 0.00 175.10 172.91 2jxa n PRO 130 N -0.06 0.90 0.01 4.82 -0.02 -1.26 -0.94 135.00 138.45 2jxa n PRO 130 Ca -0.10 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.83 2jxa n PRO 130 Cb 0.57 -2.21 0.40 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.80 0.07 -3.87 6.00 9.36 -1.26 -4.65 117.16 121.01 2jxa n TYR 131 Ca 0.14 0.02 -0.35 0.00 3.32 0.00 0.00 57.90 61.04 2jxa n TYR 131 Cb 0.48 -0.54 -0.09 0.00 -0.63 0.00 0.00 39.34 38.56 2jxa n TYR 131 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2jxa s LYS 132 N -3.02 4.02 -0.09 2.98 -0.14 -1.26 -5.09 119.74 117.14 2jxa s LYS 132 Ca 0.09 -0.27 -0.10 0.00 -1.36 0.00 0.00 55.97 54.33 2jxa s LYS 132 Cb 0.12 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.92 2jxa s LYS 132 CO 0.35 0.34 0.24 0.54 -0.76 0.00 0.00 175.35 176.06 2jxa s VAL 133 N 0.22 5.33 0.00 3.17 0.11 -1.26 -5.17 120.40 122.80 2jxa s VAL 133 Ca 0.07 0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 2jxa s VAL 133 Cb -0.12 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.21 2jxa s VAL 133 CO -0.01 0.58 0.00 1.21 -3.33 0.00 0.00 175.10 173.55