#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 -5.81 -4.66 0.99 4.32 -1.26 -4.37 117.00 106.20 2jxa n LEU 30 Ca 0.00 0.96 -0.40 0.00 -0.02 0.00 0.00 56.01 56.56 2jxa n LEU 30 Cb 0.00 -2.47 0.03 0.00 -1.62 0.00 0.00 43.42 39.35 2jxa n LEU 30 CO 0.00 -2.39 0.74 -2.65 -1.22 0.00 0.00 177.39 171.87 2jxa n PRO 31 N 1.05 1.48 0.00 3.23 -0.02 -1.26 -4.65 135.00 134.82 2jxa n PRO 31 Ca -0.01 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2jxa n PRO 31 Cb 0.25 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2jxa n PRO 31 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2jxa n PHE 32 N -0.82 0.00 -0.14 6.00 7.35 -1.26 -4.98 117.46 123.60 2jxa n PHE 32 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 2jxa n PHE 32 Cb 0.42 0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.31 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jxa n GLY 33 N 0.00 0.92 3.09 7.13 0.00 -1.26 -4.81 105.19 110.25 2jxa n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.32 0.49 0.99 1.98 -1.26 -5.12 118.68 114.44 2jxa s LEU 34 Ca 0.00 0.29 0.00 0.00 -2.89 0.00 0.00 54.13 51.53 2jxa s LEU 34 Cb 0.00 1.83 0.00 0.00 0.66 0.00 0.00 46.19 48.68 2jxa s LEU 34 CO 0.00 -0.30 0.00 0.23 -1.89 0.00 0.00 176.35 174.39 2jxa n MET 35 N 5.41 -4.62 -3.26 1.98 2.81 -1.26 -4.91 117.12 113.26 2jxa n MET 35 Ca 0.02 3.42 -0.35 0.00 -1.81 0.00 0.00 57.70 58.97 2jxa n MET 35 Cb 0.52 -3.88 -0.06 0.00 -0.71 0.00 0.00 33.22 29.09 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 -3.20 4.07 -0.10 0.03 0.52 0.05 -4.61 118.95 115.71 2jxa s ARG 36 Ca 0.00 0.63 -0.09 0.00 -0.52 0.00 0.00 55.73 55.75 2jxa s ARG 36 Cb 0.00 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.60 2jxa s ARG 36 CO 0.00 0.44 0.25 0.50 0.02 0.00 0.00 175.30 176.51 2jxa s ARG 37 N -2.01 0.29 0.01 3.54 3.52 -1.26 -0.85 118.95 122.20 2jxa s ARG 37 Ca 0.40 0.36 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 2jxa s ARG 37 Cb -0.15 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.36 2jxa s ARG 37 CO 0.20 -0.04 -0.10 -1.21 -0.81 0.00 0.00 175.30 173.34 2jxa s GLU 38 N 0.17 0.72 -0.02 5.12 8.01 -0.13 -4.92 118.70 127.64 2jxa s GLU 38 Ca -0.00 -0.45 -0.02 0.00 0.01 0.00 0.00 54.97 54.51 2jxa s GLU 38 Cb -0.02 -0.67 0.01 0.00 -4.31 0.00 0.00 34.13 29.14 2jxa s GLU 38 CO 0.00 0.18 0.06 -1.17 0.01 0.00 0.00 175.26 174.34 2jxa s LEU 39 N -0.56 1.58 0.00 1.80 0.20 -1.26 -0.93 118.68 119.51 2jxa s LEU 39 Ca 0.01 0.12 -0.06 0.00 0.69 0.00 0.00 54.13 54.89 2jxa s LEU 39 Cb -0.05 0.16 -0.00 0.00 -0.43 0.00 0.00 46.19 45.87 2jxa s LEU 39 CO 0.00 -0.05 0.11 0.00 -0.29 0.00 0.00 176.35 176.13 2jxa s ALA 40 N 0.31 -0.27 0.15 5.97 0.00 -0.97 -4.99 121.76 121.97 2jxa s ALA 40 Ca -0.02 -0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 2jxa s ALA 40 Cb -0.03 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 2jxa s ALA 40 CO -0.01 -0.19 1.39 0.00 0.00 0.00 0.00 175.76 176.95 2jxa n GLU 42 N 3.45 0.68 -0.19 0.00 2.13 -1.24 -1.97 120.64 123.49 2jxa n GLU 42 Ca 0.10 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.16 2jxa n GLU 42 Cb 0.42 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.64 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 1.67 1.49 3.40 8.31 0.00 -1.05 -4.91 105.19 114.09 2jxa n GLY 43 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.79 2.52 0.40 1.61 2.02 -0.83 -4.83 117.35 115.46 2jxa s TYR 44 Ca 0.00 -0.29 -0.27 0.00 -0.37 0.00 0.00 57.07 56.14 2jxa s TYR 44 Cb 0.00 -1.55 -0.09 0.00 -0.40 0.00 0.00 41.96 39.91 2jxa s TYR 44 CO 0.00 0.10 1.41 -1.25 -1.57 0.00 0.00 175.55 174.24 2jxa s PRO 45 N -0.77 3.96 0.06 -1.71 0.04 -1.26 -2.29 135.00 133.02 2jxa s PRO 45 Ca 0.11 2.41 0.10 0.00 0.04 0.00 0.00 61.00 63.65 2jxa s PRO 45 Cb -0.10 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2jxa s PRO 45 CO 0.00 -0.59 -0.26 -1.50 0.04 0.00 0.00 177.00 174.69 2jxa s ILE 46 N -1.18 2.16 -0.08 0.56 2.07 0.15 -4.89 121.20 119.99 2jxa s ILE 46 Ca 0.56 -1.44 0.03 0.00 -1.41 0.00 0.00 60.65 58.39 2jxa s ILE 46 Cb -0.43 -1.85 0.01 0.00 0.13 0.00 0.00 42.46 40.31 2jxa s ILE 46 CO 0.57 0.33 -0.18 -0.70 -1.91 0.00 0.00 174.94 173.05 2jxa s GLU 47 N -1.35 2.31 0.00 3.50 2.12 -1.26 -1.51 118.70 122.51 2jxa s GLU 47 Ca 0.12 -0.64 0.04 0.00 0.36 0.00 0.00 54.97 54.86 2jxa s GLU 47 Cb -0.10 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 2jxa s GLU 47 CO 0.03 0.11 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.23 2jxa s LEU 48 N 0.48 2.90 -0.14 2.70 1.43 -0.59 -4.75 118.68 120.71 2jxa s LEU 48 Ca -0.16 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2jxa s LEU 48 Cb -0.17 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.44 2jxa s LEU 48 CO 0.06 0.29 0.36 -0.13 0.23 0.00 0.00 176.35 177.16 2jxa s ARG 49 N -1.25 0.38 0.04 1.70 0.52 -1.26 -2.11 118.95 116.98 2jxa s ARG 49 Ca 0.15 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 2jxa s ARG 49 Cb -0.11 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 2jxa s ARG 49 CO 0.05 -0.10 0.16 0.00 0.02 0.00 0.00 175.30 175.43 2jxa s PRO 51 N -2.28 2.98 4.77 0.00 0.04 -1.26 -4.76 135.00 134.50 2jxa s PRO 51 Ca 0.31 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2jxa s PRO 51 Cb -0.13 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2jxa s PRO 51 CO 0.23 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2jxa n GLY 52 N -1.49 3.25 0.85 0.56 0.00 -1.26 -1.75 105.19 105.35 2jxa n GLY 52 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 3.92 2.92 -4.85 1.61 3.41 -1.26 -5.03 113.62 114.35 2jxa n SER 53 Ca 0.00 -3.39 -0.29 0.00 -0.26 0.00 0.00 58.87 54.92 2jxa n SER 53 Cb 0.00 -0.56 0.10 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.42 4.35 0.07 4.04 1.11 -0.71 -3.93 116.67 119.17 2jxa s ASP 54 Ca 0.41 0.98 0.07 0.00 0.18 0.00 0.00 52.55 54.19 2jxa s ASP 54 Cb 0.36 -1.59 -0.03 0.00 1.07 0.00 0.00 42.92 42.74 2jxa s ASP 54 CO 0.03 -2.02 -0.18 0.68 1.18 0.00 0.00 175.17 174.85 2jxa s VAL 55 N -3.38 1.49 0.29 -1.27 -7.23 0.27 -4.42 120.40 106.15 2jxa s VAL 55 Ca 0.62 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.19 2jxa s VAL 55 Cb -0.13 -1.35 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 2jxa s VAL 55 CO 0.52 0.00 1.15 -0.63 -0.31 0.00 0.00 175.10 175.83 2jxa s ILE 56 N -1.02 3.30 -0.29 -0.62 1.01 0.96 -1.32 121.20 123.21 2jxa s ILE 56 Ca 0.04 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.00 2jxa s ILE 56 Cb -0.09 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.64 2jxa s ILE 56 CO 0.03 0.31 0.08 0.00 0.00 0.00 0.00 174.94 175.36 2jxa s MET 57 N -1.53 0.76 0.05 2.79 0.23 0.00 -1.56 119.30 120.04 2jxa s MET 57 Ca 0.46 -0.98 -0.30 0.00 -1.03 0.00 0.00 55.69 53.83 2jxa s MET 57 Cb -0.34 -2.05 -0.08 0.00 -1.53 0.00 0.00 34.83 30.83 2jxa s MET 57 CO 0.44 -0.92 1.72 0.08 -2.03 0.00 0.00 175.02 174.32 2jxa s VAL 58 N 1.63 3.08 -0.24 5.16 1.01 -1.26 -2.49 120.40 127.28 2jxa s VAL 58 Ca 0.07 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 2jxa s VAL 58 Cb -0.17 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 2jxa s VAL 58 CO -0.22 -0.01 -0.32 -0.62 0.00 0.00 0.00 175.10 173.93 2jxa n GLU 59 N 6.20 0.52 -3.80 2.72 -0.58 -0.75 -4.98 120.64 119.97 2jxa n GLU 59 Ca 0.17 0.23 -0.12 0.00 -0.42 0.00 0.00 57.16 57.01 2jxa n GLU 59 Cb 0.41 -1.38 -0.11 0.00 -0.57 0.00 0.00 31.44 29.79 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 -7.17 -0.18 -0.15 1.62 0.01 -1.05 -5.04 114.94 102.98 2jxa s ASN 60 Ca -0.34 0.26 -0.29 0.00 -0.71 0.00 0.00 52.86 51.77 2jxa s ASN 60 Cb 0.13 0.40 0.11 0.00 0.41 0.00 0.00 41.25 42.30 2jxa s ASN 60 CO 0.43 -0.22 0.91 0.00 -1.51 0.00 0.00 177.10 176.72 2jxa s ALA 61 N -0.50 -1.89 0.07 0.60 0.00 -1.26 -0.36 121.76 118.42 2jxa s ALA 61 Ca -0.06 1.58 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 2jxa s ALA 61 Cb -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2jxa s ALA 61 CO 0.01 -0.31 0.33 1.21 0.00 0.00 0.00 175.76 177.00 2jxa s ASN 62 N -0.89 -0.14 -0.16 0.00 2.47 -0.57 -2.91 114.94 112.74 2jxa s ASN 62 Ca -0.03 -0.26 0.02 0.00 0.42 0.00 0.00 52.86 53.01 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 0.03 -0.70 -0.20 -0.47 -3.72 0.00 0.00 177.10 172.04 2jxa s TYR 63 N -3.02 2.70 -1.73 0.43 6.14 -1.26 -1.91 117.35 118.70 2jxa s TYR 63 Ca -0.02 -1.50 0.00 0.00 0.64 0.00 0.00 57.07 56.19 2jxa s TYR 63 Cb 0.01 -1.86 0.00 0.00 0.42 0.00 0.00 41.96 40.53 2jxa s TYR 63 CO -0.06 -0.72 0.00 0.41 0.64 0.00 0.00 175.55 175.82 2jxa n GLY 64 N 4.39 -0.44 3.07 8.97 0.00 -0.62 -3.15 105.19 117.42 2jxa n GLY 64 Ca -0.20 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 0.30 0.00 1.61 3.52 -0.87 0.13 118.95 121.64 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 -0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 2jxa s ARG 65 CO 0.00 -0.42 0.58 0.25 -0.81 0.00 0.00 175.30 174.90 2jxa n THR 66 N 5.37 0.28 -3.88 4.11 -2.24 -1.26 -0.90 114.28 115.76 2jxa n THR 66 Ca -0.06 -0.55 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 2jxa n THR 66 Cb 0.50 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.28 0.08 0.00 3.42 -1.08 -1.26 -4.80 116.67 112.75 2jxa s ASP 67 Ca 0.00 -0.37 0.09 0.00 -0.52 0.00 0.00 52.55 51.75 2jxa s ASP 67 Cb 0.00 0.24 0.08 0.00 -1.46 0.00 0.00 42.92 41.78 2jxa s ASP 67 CO 0.00 -0.48 0.80 -0.90 0.52 0.00 0.00 175.17 175.11 2jxa n ASP 68 N 0.96 1.79 -0.91 -0.34 5.68 -1.26 -4.46 116.55 118.02 2jxa n ASP 68 Ca -0.20 -1.40 0.11 0.00 -0.50 0.00 0.00 54.79 52.79 2jxa n ASP 68 Cb 0.58 -0.01 0.12 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.49 2.07 -4.61 0.11 5.02 -1.26 -4.89 118.16 115.09 2jxa n LYS 69 Ca 0.05 -1.90 -0.34 0.00 -2.02 0.00 0.00 58.31 54.11 2jxa n LYS 69 Cb 0.23 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.61 3.70 -0.75 -0.18 -1.09 -1.26 -4.71 121.20 115.29 2jxa s ILE 70 Ca 0.28 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.22 2jxa s ILE 70 Cb 0.18 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 2jxa s ILE 70 CO 0.27 0.59 0.68 0.00 -1.23 0.00 0.00 174.94 175.25 2jxa n ASP 72 N -1.89 3.29 -0.30 0.00 2.03 -1.26 -4.94 116.55 113.47 2jxa n ASP 72 Ca -0.06 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2jxa n ASP 72 Cb 0.54 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 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 6.20 0.00 -1.76 -1.67 0.00 -1.26 -5.13 120.51 116.89 2jxa n ALA 73 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 2jxa n ALA 73 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 0.42 5.89 0.30 0.00 -4.77 -1.26 -4.85 116.67 112.41 2jxa s ASP 74 Ca 0.00 2.75 0.01 0.00 -3.30 0.00 0.00 52.55 52.01 2jxa s ASP 74 Cb 0.00 -2.64 0.56 0.00 -1.09 0.00 0.00 42.92 39.75 2jxa s ASP 74 CO 0.00 -1.15 1.90 1.55 0.70 0.00 0.00 175.17 178.17 2jxa h PRO 75 N 2.21 0.97 0.00 2.11 0.13 -2.00 -1.50 132.00 133.92 2jxa h PRO 75 Ca -0.50 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 2jxa h PRO 75 Cb 1.27 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2jxa h PRO 75 CO 0.61 0.64 -0.19 0.74 -0.23 0.00 0.00 178.00 179.57 2jxa h PHE 76 N 1.00 0.00 0.00 1.56 -1.00 -1.96 0.14 116.94 116.68 2jxa h PHE 76 Ca 0.41 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.19 2jxa h PHE 76 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 2jxa h PHE 76 CO -0.00 0.19 -0.54 1.04 -1.61 0.00 0.00 178.31 177.39 2jxa n GLN 77 N -4.31 0.17 0.00 1.51 6.02 -0.65 -3.78 117.38 116.34 2jxa n GLN 77 Ca -0.02 0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.11 2jxa n GLN 77 Cb 0.25 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.86 1.41 -0.06 -1.09 2.81 -0.38 -1.65 117.12 116.30 2jxa n MET 78 Ca 0.04 -0.79 -0.11 0.00 -1.81 0.00 0.00 57.70 55.03 2jxa n MET 78 Cb 0.40 -1.37 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.85 0.30 -6.57 0.03 4.39 -0.89 -3.42 114.58 110.27 2jxa h GLU 79 Ca 0.00 -0.08 -0.56 0.00 0.34 0.00 0.00 59.36 59.05 2jxa h GLU 79 Cb 0.62 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 2jxa h GLU 79 CO 0.00 0.47 0.95 1.21 -1.16 0.00 0.00 179.01 180.47 2jxa s ASN 80 N -5.74 6.64 -0.45 1.42 2.47 -1.26 -4.88 114.94 113.14 2jxa s ASN 80 Ca -0.14 0.72 0.04 0.00 0.42 0.00 0.00 52.86 53.90 2jxa s ASN 80 Cb 0.06 -2.55 0.60 0.00 -1.45 0.00 0.00 41.25 37.92 2jxa s ASN 80 CO 0.72 -1.20 1.82 1.33 -3.72 0.00 0.00 177.10 176.04 2jxa n VAL 81 N 6.65 3.12 -3.39 -5.21 0.24 -1.26 -4.74 118.33 113.74 2jxa n VAL 81 Ca 0.13 -2.32 -0.24 0.00 -2.04 0.00 0.00 64.34 59.87 2jxa n VAL 81 Cb 0.48 -0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 32.19 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 -3.38 0.69 -0.16 7.34 -1.52 -0.64 -4.04 119.66 117.94 2jxa s GLN 82 Ca 0.55 -1.41 -0.06 0.00 -1.95 0.00 0.00 55.36 52.50 2jxa s GLN 82 Cb 0.47 -1.13 0.08 0.00 -0.22 0.00 0.00 33.01 32.21 2jxa s GLN 82 CO 0.07 -1.26 0.34 0.00 -0.25 0.00 0.00 175.29 174.18 2jxa s TYR 84 N 2.51 1.31 -0.35 0.00 1.51 -1.26 -2.05 117.35 119.03 2jxa s TYR 84 Ca 0.00 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2jxa s TYR 84 Cb -0.12 -0.76 0.13 0.00 -0.11 0.00 0.00 41.96 41.10 2jxa s TYR 84 CO -0.11 0.06 0.20 -1.17 -1.11 0.00 0.00 175.55 173.42 2jxa s LEU 85 N -1.40 1.17 0.23 -1.29 2.96 -1.19 -4.99 118.68 114.19 2jxa s LEU 85 Ca 0.01 -2.08 -0.06 0.00 -0.22 0.00 0.00 54.13 51.78 2jxa s LEU 85 Cb -0.09 -0.49 0.41 0.00 0.50 0.00 0.00 46.19 46.53 2jxa s LEU 85 CO 0.02 -0.33 1.70 -0.65 -1.32 0.00 0.00 176.35 175.77 2jxa h PRO 86 N 7.24 0.28 -0.66 0.98 0.11 -1.91 -0.76 132.00 137.29 2jxa h PRO 86 Ca 0.00 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.28 2jxa h PRO 86 Cb 0.97 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 2jxa h PRO 86 CO 0.33 0.19 0.47 -0.44 -0.21 0.00 0.00 178.00 178.33 2jxa h ASP 87 N 0.29 0.05 -0.87 -2.05 3.32 -1.95 0.86 116.42 116.07 2jxa h ASP 87 Ca 0.39 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.63 2jxa h ASP 87 Cb 0.63 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 2jxa h ASP 87 CO -0.47 0.03 0.57 0.00 -1.72 0.00 0.00 179.24 177.65 2jxa h ALA 88 N 1.68 2.16 -0.38 3.45 0.00 -1.42 0.20 119.26 124.94 2jxa h ALA 88 Ca 0.32 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2jxa h ALA 88 Cb 1.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jxa h ALA 88 CO -0.02 -0.42 0.04 0.35 0.00 0.00 0.00 179.25 179.20 2jxa h PHE 89 N 0.43 0.68 -0.65 0.00 3.57 -0.69 -2.08 116.94 118.20 2jxa h PHE 89 Ca 0.45 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 2jxa h PHE 89 Cb 1.07 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2jxa h PHE 89 CO -0.00 0.69 0.19 1.57 -2.23 0.00 0.00 178.31 178.53 2jxa h LYS 90 N 0.47 1.03 -0.11 1.11 2.10 -0.76 0.64 116.57 121.05 2jxa h LYS 90 Ca 0.11 -0.23 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2jxa h LYS 90 Cb 0.39 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2jxa h LYS 90 CO 0.01 0.91 0.06 0.82 -2.00 0.00 0.00 179.45 179.25 2jxa h ILE 91 N 0.95 1.05 -0.34 0.07 2.04 -0.86 -1.44 117.51 118.98 2jxa h ILE 91 Ca 0.21 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 2jxa h ILE 91 Cb 0.32 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2jxa h ILE 91 CO -0.00 0.05 -0.21 0.24 0.00 0.00 0.00 178.15 178.22 2jxa h MET 92 N 0.11 0.65 -0.46 2.37 2.86 -1.26 -2.47 114.93 116.73 2jxa h MET 92 Ca 0.04 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2jxa h MET 92 Cb 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2jxa h MET 92 CO -0.01 0.81 0.30 0.77 1.06 0.00 0.00 176.91 179.85 2jxa h SER 93 N 0.57 0.52 -0.25 1.22 0.02 -0.54 0.15 113.55 115.25 2jxa h SER 93 Ca 0.09 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 2jxa h SER 93 Cb 0.68 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 2jxa h SER 93 CO 0.05 0.38 -0.11 1.56 -1.14 0.00 0.00 176.83 177.57 2jxa h GLN 94 N 0.62 0.65 0.00 3.45 4.20 -1.15 0.21 115.11 123.09 2jxa h GLN 94 Ca 0.17 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 2jxa h GLN 94 Cb -0.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2jxa h GLN 94 CO -0.04 0.74 -0.92 0.00 -0.67 0.00 0.00 178.83 177.94 2jxa h ARG 95 N 0.59 0.30 0.00 1.46 3.08 -0.94 -3.37 114.38 115.50 2jxa h ARG 95 Ca 0.11 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2jxa h ARG 95 Cb 0.53 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2jxa h ARG 95 CO 0.03 1.03 -0.75 0.00 -1.07 0.00 0.00 179.97 179.21 2jxa s ASN 97 N -2.20 6.39 -0.41 0.00 0.01 0.72 -1.88 114.94 117.56 2jxa s ASN 97 Ca 0.01 2.93 0.00 0.00 -0.71 0.00 0.00 52.86 55.08 2jxa s ASN 97 Cb 0.06 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.09 2jxa s ASN 97 CO 0.34 -0.91 0.00 0.59 -1.51 0.00 0.00 177.10 175.61 2jxa n ASN 98 N 2.37 -4.96 -4.48 -1.22 4.13 -0.60 -4.97 115.26 105.53 2jxa n ASN 98 Ca 0.09 0.10 -0.30 0.00 1.68 0.00 0.00 54.58 56.14 2jxa n ASN 98 Cb 0.37 -2.80 -0.12 0.00 -1.54 0.00 0.00 39.78 35.70 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 -1.87 1.96 0.23 3.52 0.52 -0.79 -4.82 118.95 117.69 2jxa s ARG 99 Ca 0.00 -1.07 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 2jxa s ARG 99 Cb 0.00 -2.17 0.20 0.00 0.52 0.00 0.00 34.95 33.49 2jxa s ARG 99 CO 0.00 0.51 1.52 1.15 0.02 0.00 0.00 175.30 178.50 2jxa h THR 100 N 3.70 1.48 -3.01 0.02 2.02 -1.85 0.27 112.91 115.55 2jxa h THR 100 Ca -0.49 -2.37 -0.09 0.00 0.77 0.00 0.00 66.41 64.23 2jxa h THR 100 Cb 1.16 2.28 -0.18 0.00 -1.74 0.00 0.00 68.15 69.67 2jxa h THR 100 CO 0.47 0.68 -0.16 0.00 0.37 0.00 0.00 175.52 176.89 2jxa s GLN 101 N -3.44 0.84 -0.20 6.66 1.03 -1.26 -0.03 119.66 123.26 2jxa s GLN 101 Ca -0.02 -0.30 -0.18 0.00 0.04 0.00 0.00 55.36 54.90 2jxa s GLN 101 Cb 0.12 0.37 0.05 0.00 0.03 0.00 0.00 33.01 33.58 2jxa s GLN 101 CO 0.79 -0.27 0.53 0.00 -2.54 0.00 0.00 175.29 173.80 2jxa s VAL 103 N 0.32 2.02 0.03 0.00 1.01 -1.26 -1.55 120.40 120.98 2jxa s VAL 103 Ca -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2jxa s VAL 103 Cb -0.04 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2jxa s VAL 103 CO 0.00 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.91 2jxa s VAL 104 N 0.87 0.27 -0.32 2.92 1.01 -0.57 -4.93 120.40 119.65 2jxa s VAL 104 Ca -0.06 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 2jxa s VAL 104 Cb -0.15 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.65 2jxa s VAL 104 CO -0.03 -0.55 0.88 -0.69 0.00 0.00 0.00 175.10 174.71 2jxa s VAL 105 N -1.87 4.69 0.00 2.92 1.01 -1.26 0.32 120.40 126.20 2jxa s VAL 105 Ca -0.10 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.21 2jxa s VAL 105 Cb -0.07 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2jxa s VAL 105 CO -0.02 -0.35 0.80 0.00 0.00 0.00 0.00 175.10 175.53 2jxa n ALA 106 N 6.45 2.45 0.00 5.51 0.00 -0.97 -4.62 120.51 129.33 2jxa n ALA 106 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jxa n ALA 106 Cb 0.48 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.90 -0.61 4.46 0.00 0.00 -1.26 -2.53 105.19 107.15 2jxa n GLY 107 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.05 1.61 2.88 -1.26 -0.50 113.62 116.40 2jxa n SER 108 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2jxa n SER 108 Cb 0.00 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.55 0.22 0.05 -3.46 8.00 -1.26 -1.61 116.55 115.95 2jxa n ASP 109 Ca 0.00 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.22 2jxa n ASP 109 Cb 0.00 -0.62 0.51 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.60 2.30 -3.71 2.24 0.00 -0.47 -4.70 120.51 114.56 2jxa n ALA 110 Ca 0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 2jxa n ALA 110 Cb 0.09 -1.47 -0.16 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.05 -0.09 0.00 0.00 0.08 0.34 -4.88 117.98 110.38 2jxa s PHE 111 Ca 0.12 0.42 0.00 0.00 0.12 0.00 0.00 56.93 57.60 2jxa s PHE 111 Cb 0.16 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.36 2jxa s PHE 111 CO 0.56 -0.19 0.00 -2.30 -0.10 0.00 0.00 175.22 173.19 2jxa n PRO 112 N 4.79 2.41 -3.50 0.24 -0.02 -1.26 -4.52 135.00 133.14 2jxa n PRO 112 Ca -0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.05 2jxa n PRO 112 Cb 0.50 0.00 -0.11 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 -2.69 2.63 0.09 2.55 2.15 -1.26 -4.93 116.67 115.22 2jxa s ASP 113 Ca 0.00 -2.67 -0.03 0.00 0.43 0.00 0.00 52.55 50.28 2jxa s ASP 113 Cb 0.00 -0.59 -0.24 0.00 -0.30 0.00 0.00 42.92 41.79 2jxa s ASP 113 CO 0.00 -0.24 1.19 1.55 -0.17 0.00 0.00 175.17 177.50 2jxa h PRO 114 N 6.38 0.25 -2.13 4.34 0.13 -1.93 -3.42 132.00 135.62 2jxa h PRO 114 Ca 0.13 -0.39 -0.43 0.00 -0.87 0.00 0.00 66.00 64.43 2jxa h PRO 114 Cb 0.93 0.14 -0.33 0.00 0.13 0.00 0.00 31.00 31.87 2jxa h PRO 114 CO 0.36 1.17 -0.74 0.00 -0.23 0.00 0.00 178.00 178.57 2jxa s PRO 116 N 1.30 4.42 0.00 0.00 0.04 -1.26 -3.59 135.00 135.91 2jxa s PRO 116 Ca 0.17 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2jxa s PRO 116 Cb -0.18 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2jxa s PRO 116 CO -0.01 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2jxa n GLY 117 N 1.15 0.83 3.16 0.56 0.00 -1.26 -5.08 105.19 104.54 2jxa n GLY 117 Ca 0.01 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 1.21 -0.73 2.61 2.01 -1.24 -4.40 115.64 113.11 2jxa s THR 118 Ca 0.00 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 2jxa s THR 118 Cb 0.00 -1.07 0.09 0.00 0.01 0.00 0.00 72.50 71.52 2jxa s THR 118 CO 0.00 0.09 0.99 -0.47 -0.69 0.00 0.00 174.62 174.54 2jxa s TYR 119 N -0.76 2.82 0.00 4.92 5.04 -0.66 -4.99 117.35 123.73 2jxa s TYR 119 Ca 0.03 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 2jxa s TYR 119 Cb -0.08 -4.27 0.00 0.00 0.35 0.00 0.00 41.96 37.97 2jxa s TYR 119 CO 0.01 -1.58 0.00 1.63 -1.34 0.00 0.00 175.55 174.27 2jxa n LYS 120 N 7.28 2.06 -3.68 4.97 5.02 -1.26 -4.85 118.16 127.70 2jxa n LYS 120 Ca 0.03 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 2jxa n LYS 120 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.47 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 -0.03 -0.13 2.13 -0.85 0.12 -3.68 117.35 114.91 2jxa s TYR 121 Ca 0.00 -0.08 -0.00 0.00 -0.52 0.00 0.00 57.07 56.47 2jxa s TYR 121 Cb 0.00 0.55 0.02 0.00 0.38 0.00 0.00 41.96 42.91 2jxa s TYR 121 CO 0.00 -0.29 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.47 2jxa s LEU 122 N -3.11 1.40 -0.17 -3.49 2.96 -0.85 -1.58 118.68 113.83 2jxa s LEU 122 Ca 0.17 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2jxa s LEU 122 Cb 0.04 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 2jxa s LEU 122 CO -0.03 -0.09 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.12 2jxa s GLU 123 N 1.58 3.39 -0.05 1.98 2.12 -0.80 -2.30 118.70 124.62 2jxa s GLU 123 Ca 0.04 -0.65 -0.00 0.00 0.36 0.00 0.00 54.97 54.72 2jxa s GLU 123 Cb -0.13 -2.80 0.03 0.00 0.26 0.00 0.00 34.13 31.49 2jxa s GLU 123 CO -0.09 0.04 -0.01 0.08 -0.54 0.00 0.00 175.26 174.74 2jxa s VAL 124 N 0.83 0.37 -0.13 3.70 1.01 -0.11 -1.51 120.40 124.57 2jxa s VAL 124 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 2jxa s VAL 124 Cb -0.15 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2jxa s VAL 124 CO 0.01 0.22 -0.12 -1.10 0.00 0.00 0.00 175.10 174.11 2jxa s GLN 125 N 1.47 3.36 0.30 2.72 1.11 0.51 -0.95 119.66 128.18 2jxa s GLN 125 Ca -0.03 -0.67 -0.13 0.00 0.01 0.00 0.00 55.36 54.54 2jxa s GLN 125 Cb -0.13 -2.64 0.01 0.00 -1.01 0.00 0.00 33.01 29.24 2jxa s GLN 125 CO -0.03 0.24 0.59 1.52 0.01 0.00 0.00 175.29 177.63 2jxa s TYR 126 N 0.28 0.33 0.22 0.91 -0.85 -0.03 -1.80 117.35 116.41 2jxa s TYR 126 Ca -0.09 -0.75 0.07 0.00 -0.52 0.00 0.00 57.07 55.77 2jxa s TYR 126 Cb -0.15 0.38 -0.05 0.00 0.38 0.00 0.00 41.96 42.52 2jxa s TYR 126 CO 0.05 -1.19 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.28 2jxa s ASP 127 N -3.05 2.43 -0.26 -0.18 1.01 -1.04 -0.77 116.67 114.82 2jxa s ASP 127 Ca 0.20 -1.08 -0.06 0.00 0.71 0.00 0.00 52.55 52.33 2jxa s ASP 127 Cb -0.03 -0.11 -0.00 0.00 1.01 0.00 0.00 42.92 43.79 2jxa s ASP 127 CO 0.11 -0.27 0.03 0.00 0.21 0.00 0.00 175.17 175.25 2jxa s VAL 129 N 1.50 1.98 0.51 0.00 -7.23 -0.44 -4.78 120.40 111.95 2jxa s VAL 129 Ca 0.04 -2.16 -0.22 0.00 -1.81 0.00 0.00 61.98 57.83 2jxa s VAL 129 Cb -0.16 -2.05 -0.07 0.00 0.56 0.00 0.00 36.38 34.66 2jxa s VAL 129 CO 0.00 -0.43 1.26 -2.65 -0.31 0.00 0.00 175.10 172.97 2jxa n PRO 130 N -0.20 1.64 0.10 4.82 -0.02 -1.26 0.96 135.00 141.04 2jxa n PRO 130 Ca -0.09 0.60 -0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2jxa n PRO 130 Cb 0.59 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2jxa n PRO 130 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2jxa h TYR 131 N 1.50 0.06 -0.33 6.00 3.20 -1.90 -3.44 116.97 122.06 2jxa h TYR 131 Ca -0.49 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.34 2jxa h TYR 131 Cb 1.31 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.57 2jxa h TYR 131 CO 0.45 0.83 0.00 1.17 -1.64 0.00 0.00 178.16 178.96 2jxa n LYS 132 N -3.62 3.47 -3.69 1.82 4.81 -1.26 -5.10 118.16 114.59 2jxa n LYS 132 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 2jxa n LYS 132 Cb 0.77 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.69 2jxa n LYS 132 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2jxa s VAL 133 N 3.13 -0.26 0.00 3.15 -7.23 -1.26 -5.20 120.40 112.73 2jxa s VAL 133 Ca 0.00 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 2jxa s VAL 133 Cb 0.00 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.51 2jxa s VAL 133 CO 0.00 0.09 0.00 1.21 -0.31 0.00 0.00 175.10 176.09