#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxa s LEU 30 N 0.00 4.10 0.22 0.99 1.43 -1.26 -4.96 118.68 119.20 2jxa s LEU 30 Ca 0.00 -1.22 0.09 0.00 -1.03 0.00 0.00 54.13 51.97 2jxa s LEU 30 Cb 0.00 -1.78 0.49 0.00 0.03 0.00 0.00 46.19 44.93 2jxa s LEU 30 CO 0.00 -0.29 1.14 -2.65 0.23 0.00 0.00 176.35 174.78 2jxa n PRO 31 N 4.71 0.06 0.00 1.29 -0.02 -1.26 -3.94 135.00 135.84 2jxa n PRO 31 Ca -0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2jxa n PRO 31 Cb 0.44 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.82 -1.54 -1.28 6.00 3.72 -1.26 -5.04 117.46 116.25 2jxa n PHE 32 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 2jxa n PHE 32 Cb 0.28 0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 39.26 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 -0.53 0.57 3.60 1.37 0.00 -1.25 -5.00 105.19 103.94 2jxa n GLY 33 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.84 -1.12 0.01 0.99 2.96 -1.26 -5.08 118.68 114.34 2jxa s LEU 34 Ca 0.00 1.47 -0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2jxa s LEU 34 Cb 0.00 2.25 0.00 0.00 0.50 0.00 0.00 46.19 48.94 2jxa s LEU 34 CO 0.00 -0.21 0.00 0.23 -1.32 0.00 0.00 176.35 175.05 2jxa n MET 35 N 5.41 -2.62 -3.28 1.98 2.81 -1.26 -4.96 117.12 115.20 2jxa n MET 35 Ca -0.11 1.90 -0.31 0.00 -1.81 0.00 0.00 57.70 57.37 2jxa n MET 35 Cb 0.49 -2.63 -0.05 0.00 -0.71 0.00 0.00 33.22 30.33 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 -0.30 3.78 -0.10 0.03 3.00 0.11 -4.90 118.95 120.57 2jxa s ARG 36 Ca -0.00 0.28 -0.07 0.00 0.00 0.00 0.00 55.73 55.94 2jxa s ARG 36 Cb 0.00 -2.58 0.03 0.00 0.00 0.00 0.00 34.95 32.40 2jxa s ARG 36 CO 0.00 0.22 0.25 0.50 0.00 0.00 0.00 175.30 176.27 2jxa s ARG 37 N -3.17 0.26 0.05 3.54 3.52 -1.26 -1.15 118.95 120.74 2jxa s ARG 37 Ca 0.48 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.54 2jxa s ARG 37 Cb -0.11 0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.30 2jxa s ARG 37 CO 0.24 -0.08 -0.14 -1.21 -0.81 0.00 0.00 175.30 173.30 2jxa s GLU 38 N 0.56 0.90 -0.01 5.12 0.41 -0.76 -4.99 118.70 119.93 2jxa s GLU 38 Ca -0.04 -0.84 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 2jxa s GLU 38 Cb -0.05 -0.91 0.01 0.00 -1.78 0.00 0.00 34.13 31.40 2jxa s GLU 38 CO -0.03 0.22 0.01 -1.17 -0.49 0.00 0.00 175.26 173.80 2jxa s LEU 39 N -1.37 1.54 0.02 1.80 0.20 -1.26 -1.07 118.68 118.55 2jxa s LEU 39 Ca 0.00 0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.85 2jxa s LEU 39 Cb -0.09 -0.06 -0.02 0.00 -0.43 0.00 0.00 46.19 45.59 2jxa s LEU 39 CO 0.02 -0.06 -0.05 0.00 -0.29 0.00 0.00 176.35 175.96 2jxa s ALA 40 N 0.53 0.37 0.16 5.97 0.00 -0.76 -4.98 121.76 123.04 2jxa s ALA 40 Ca -0.05 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 2jxa s ALA 40 Cb -0.07 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 2jxa s ALA 40 CO -0.01 -0.04 1.42 0.00 0.00 0.00 0.00 175.76 177.13 2jxa n GLU 42 N 3.48 0.29 -0.23 0.00 2.13 -1.24 -2.01 120.64 123.06 2jxa n GLU 42 Ca 0.10 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2jxa n GLU 42 Cb 0.41 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.87 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 1.82 0.95 3.44 8.31 0.00 -0.82 -4.91 105.19 113.98 2jxa n GLY 43 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.64 2.47 0.29 1.61 1.51 -0.85 -4.80 117.35 114.93 2jxa s TYR 44 Ca 0.00 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 2jxa s TYR 44 Cb 0.00 -1.37 -0.10 0.00 -0.11 0.00 0.00 41.96 40.38 2jxa s TYR 44 CO 0.00 0.29 1.34 -1.25 -1.11 0.00 0.00 175.55 174.82 2jxa s PRO 45 N -1.75 4.34 0.07 -1.71 0.04 -1.26 -1.28 135.00 133.46 2jxa s PRO 45 Ca 0.15 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.45 2jxa s PRO 45 Cb -0.10 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2jxa s PRO 45 CO 0.06 -0.25 -0.06 -1.50 0.04 0.00 0.00 177.00 175.29 2jxa s ILE 46 N -0.65 3.62 -0.08 0.56 2.07 0.25 -4.88 121.20 122.09 2jxa s ILE 46 Ca 0.53 -1.06 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 2jxa s ILE 46 Cb -0.40 -2.67 0.01 0.00 0.13 0.00 0.00 42.46 39.54 2jxa s ILE 46 CO 0.48 0.19 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.87 2jxa s GLU 47 N -2.02 1.84 0.04 3.50 2.12 -1.26 -2.17 118.70 120.74 2jxa s GLU 47 Ca 0.21 -0.44 0.07 0.00 0.36 0.00 0.00 54.97 55.18 2jxa s GLU 47 Cb -0.11 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.68 2jxa s GLU 47 CO 0.13 -0.02 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.12 2jxa s LEU 48 N 0.86 2.53 -0.13 2.70 1.43 -0.03 -4.97 118.68 121.06 2jxa s LEU 48 Ca -0.11 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 2jxa s LEU 48 Cb -0.15 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.64 2jxa s LEU 48 CO 0.01 0.26 0.33 -0.13 0.23 0.00 0.00 176.35 177.06 2jxa s ARG 49 N -1.38 0.34 -0.13 1.70 0.52 -1.26 -0.97 118.95 117.76 2jxa s ARG 49 Ca 0.14 0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 55.87 2jxa s ARG 49 Cb -0.10 0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 2jxa s ARG 49 CO 0.04 -0.12 0.14 0.00 0.02 0.00 0.00 175.30 175.39 2jxa s PRO 51 N -0.86 1.60 2.59 0.00 0.04 -1.26 -4.63 135.00 132.48 2jxa s PRO 51 Ca 0.14 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2jxa s PRO 51 Cb -0.12 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2jxa s PRO 51 CO 0.03 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.37 2jxa n GLY 52 N -0.73 2.29 1.85 0.56 0.00 -1.26 -1.11 105.19 106.79 2jxa n GLY 52 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.37 4.64 -4.87 1.61 3.41 -1.26 -4.96 113.62 112.57 2jxa n SER 53 Ca 0.00 -3.02 -0.31 0.00 -0.26 0.00 0.00 58.87 55.28 2jxa n SER 53 Cb 0.00 -0.71 0.03 0.00 -0.26 0.00 0.00 64.21 63.26 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 -0.79 5.90 0.02 4.04 1.01 -0.27 -1.74 116.67 124.84 2jxa s ASP 54 Ca 0.49 1.36 0.06 0.00 0.71 0.00 0.00 52.55 55.16 2jxa s ASP 54 Cb 0.38 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 2jxa s ASP 54 CO 0.12 -1.08 -0.16 0.68 0.21 0.00 0.00 175.17 174.94 2jxa s VAL 55 N -3.21 1.31 0.32 -1.27 -7.23 0.35 -4.32 120.40 106.35 2jxa s VAL 55 Ca 0.56 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.51 2jxa s VAL 55 Cb -0.11 -1.14 -0.10 0.00 0.56 0.00 0.00 36.38 35.59 2jxa s VAL 55 CO 0.54 0.19 1.26 -0.63 -0.31 0.00 0.00 175.10 176.14 2jxa s ILE 56 N -0.66 2.90 -0.27 -0.62 1.01 0.22 -2.51 121.20 121.27 2jxa s ILE 56 Ca 0.05 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.58 2jxa s ILE 56 Cb -0.07 -3.58 0.09 0.00 0.01 0.00 0.00 42.46 38.91 2jxa s ILE 56 CO 0.01 0.22 0.09 0.00 0.00 0.00 0.00 174.94 175.25 2jxa s MET 57 N -1.71 0.53 0.07 2.79 0.23 -0.64 -1.62 119.30 118.96 2jxa s MET 57 Ca 0.48 -0.70 -0.31 0.00 -1.03 0.00 0.00 55.69 54.13 2jxa s MET 57 Cb -0.38 -1.80 -0.09 0.00 -1.53 0.00 0.00 34.83 31.04 2jxa s MET 57 CO 0.50 -0.89 1.70 0.08 -2.03 0.00 0.00 175.02 174.38 2jxa s VAL 58 N 1.83 2.97 -0.23 5.16 1.01 -1.26 -2.16 120.40 127.72 2jxa s VAL 58 Ca 0.06 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 2jxa s VAL 58 Cb -0.17 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 2jxa s VAL 58 CO -0.23 -0.00 -0.31 -0.62 0.00 0.00 0.00 175.10 173.94 2jxa n GLU 59 N 5.77 0.51 -3.75 2.72 -0.58 -0.02 -4.96 120.64 120.34 2jxa n GLU 59 Ca 0.16 0.22 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 2jxa n GLU 59 Cb 0.40 -1.35 -0.09 0.00 -0.57 0.00 0.00 31.44 29.82 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 -7.01 -0.30 -0.10 1.62 0.01 -1.02 -5.03 114.94 103.11 2jxa s ASN 60 Ca -0.33 0.41 -0.30 0.00 -0.71 0.00 0.00 52.86 51.93 2jxa s ASN 60 Cb 0.12 0.52 0.12 0.00 0.41 0.00 0.00 41.25 42.42 2jxa s ASN 60 CO 0.42 -0.31 0.96 0.00 -1.51 0.00 0.00 177.10 176.66 2jxa s ALA 61 N -0.63 -1.89 0.03 0.60 0.00 -1.26 0.24 121.76 118.85 2jxa s ALA 61 Ca -0.07 1.35 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 2jxa s ALA 61 Cb -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2jxa s ALA 61 CO 0.03 -0.48 0.39 1.21 0.00 0.00 0.00 175.76 176.91 2jxa s ASN 62 N -1.74 -0.27 -0.15 0.00 2.47 -0.72 -3.46 114.94 111.07 2jxa s ASN 62 Ca 0.01 0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.35 2jxa s ASN 62 Cb -0.01 0.40 0.01 0.00 -1.45 0.00 0.00 41.25 40.20 2jxa s ASN 62 CO -0.03 -0.61 -0.19 -0.47 -3.72 0.00 0.00 177.10 172.08 2jxa s TYR 63 N -2.16 2.72 -0.96 0.43 6.14 -1.26 -1.94 117.35 120.33 2jxa s TYR 63 Ca -0.07 -1.29 0.00 0.00 0.64 0.00 0.00 57.07 56.34 2jxa s TYR 63 Cb -0.02 -1.86 0.00 0.00 0.42 0.00 0.00 41.96 40.51 2jxa s TYR 63 CO -0.00 -0.60 0.00 0.41 0.64 0.00 0.00 175.55 176.00 2jxa n GLY 64 N 4.16 -0.29 3.10 8.97 0.00 -0.32 -3.30 105.19 117.51 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 0.33 0.00 1.61 3.52 -0.81 0.51 118.95 122.12 2jxa s ARG 65 Ca 0.00 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 2jxa s ARG 65 Cb 0.00 -0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 2jxa s ARG 65 CO 0.00 -0.43 0.81 0.25 -0.81 0.00 0.00 175.30 175.13 2jxa n THR 66 N 5.38 0.64 -3.82 4.11 -2.24 -1.26 -0.59 114.28 116.51 2jxa n THR 66 Ca -0.06 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2jxa n THR 66 Cb 0.50 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.32 0.00 0.00 3.42 2.03 -1.26 -4.75 116.55 115.67 2jxa n ASP 67 Ca 0.00 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2jxa n ASP 67 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -2.61 0.00 -1.14 1.67 5.75 -1.26 -4.47 116.55 114.49 2jxa n ASP 68 Ca 0.00 -0.72 0.12 0.00 -0.01 0.00 0.00 54.79 54.18 2jxa n ASP 68 Cb 0.00 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.30 2jxa n ASP 68 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jxa n LYS 69 N 0.00 2.49 -4.73 0.11 5.02 -1.26 -4.85 118.16 114.94 2jxa n LYS 69 Ca 0.00 -2.28 -0.33 0.00 -2.02 0.00 0.00 58.31 53.68 2jxa n LYS 69 Cb 0.18 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.48 3.41 -0.94 -0.18 -1.09 -1.26 -4.68 121.20 114.97 2jxa s ILE 70 Ca 0.38 -0.58 -0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2jxa s ILE 70 Cb 0.22 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.68 2jxa s ILE 70 CO 0.31 0.58 0.84 0.00 -1.23 0.00 0.00 174.94 175.45 2jxa n ASP 72 N -2.75 2.08 -0.33 0.00 5.75 -1.26 -4.90 116.55 115.15 2jxa n ASP 72 Ca -0.05 0.83 0.00 0.00 -0.01 0.00 0.00 54.79 55.56 2jxa n ASP 72 Cb 0.58 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 2jxa n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jxa n ALA 73 N 6.97 0.00 -1.77 2.12 0.00 -1.26 -5.12 120.51 121.45 2jxa n ALA 73 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 2jxa n ALA 73 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 0.40 6.58 0.49 0.00 1.47 -1.26 -4.85 116.67 119.50 2jxa s ASP 74 Ca 0.00 2.81 0.18 0.00 1.18 0.00 0.00 52.55 56.72 2jxa s ASP 74 Cb 0.00 -2.65 1.22 0.00 -0.34 0.00 0.00 42.92 41.14 2jxa s ASP 74 CO 0.00 -0.68 2.03 1.55 0.68 0.00 0.00 175.17 178.75 2jxa h PRO 75 N 3.19 0.16 -0.40 2.11 0.13 -1.99 -0.70 132.00 134.49 2jxa h PRO 75 Ca -0.50 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 2jxa h PRO 75 Cb 1.23 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2jxa h PRO 75 CO 0.65 0.10 0.01 0.74 -0.23 0.00 0.00 178.00 179.27 2jxa h PHE 76 N 0.16 0.66 0.00 1.56 0.04 -1.97 0.76 116.94 118.15 2jxa h PHE 76 Ca 0.19 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2jxa h PHE 76 Cb 0.56 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2jxa h PHE 76 CO -0.00 0.63 -0.51 1.04 -0.60 0.00 0.00 178.31 178.87 2jxa n GLN 77 N -4.26 0.19 0.00 1.51 6.02 -0.38 -3.76 117.38 116.70 2jxa n GLN 77 Ca 0.02 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.14 2jxa n GLN 77 Cb 0.26 -1.63 0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.90 1.40 -0.08 -1.09 2.81 -0.53 -1.49 117.12 116.23 2jxa n MET 78 Ca 0.04 -1.07 -0.10 0.00 -1.81 0.00 0.00 57.70 54.76 2jxa n MET 78 Cb 0.40 -1.24 -0.03 0.00 -0.71 0.00 0.00 33.22 31.64 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 2.24 0.41 -6.38 0.03 5.08 0.43 -3.42 114.58 112.97 2jxa h GLU 79 Ca 0.00 -0.09 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 2jxa h GLU 79 Cb 0.54 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2jxa h GLU 79 CO 0.00 0.47 0.90 1.21 -1.00 0.00 0.00 179.01 180.59 2jxa s ASN 80 N -5.75 6.81 -0.42 1.42 2.47 -1.26 -4.89 114.94 113.33 2jxa s ASN 80 Ca -0.13 1.02 0.05 0.00 0.42 0.00 0.00 52.86 54.22 2jxa s ASN 80 Cb 0.08 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.89 2jxa s ASN 80 CO 0.73 -1.00 1.71 1.33 -3.72 0.00 0.00 177.10 176.15 2jxa n VAL 81 N 6.11 2.99 -3.44 -5.21 0.24 -1.26 -4.71 118.33 113.05 2jxa n VAL 81 Ca 0.13 -2.60 -0.28 0.00 -2.04 0.00 0.00 64.34 59.54 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 0.73 -0.21 7.34 -1.52 -0.85 -4.09 119.66 117.67 2jxa s GLN 82 Ca 0.53 -1.71 -0.05 0.00 -1.95 0.00 0.00 55.36 52.19 2jxa s GLN 82 Cb 0.45 -1.38 0.11 0.00 -0.22 0.00 0.00 33.01 31.97 2jxa s GLN 82 CO 0.04 -1.29 0.38 0.00 -0.25 0.00 0.00 175.29 174.17 2jxa s TYR 84 N 2.56 1.84 -0.39 0.00 1.51 -1.26 -1.92 117.35 119.69 2jxa s TYR 84 Ca 0.05 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2jxa s TYR 84 Cb -0.13 -0.87 0.16 0.00 -0.11 0.00 0.00 41.96 41.00 2jxa s TYR 84 CO -0.13 0.39 0.41 -1.17 -1.11 0.00 0.00 175.55 173.93 2jxa s LEU 85 N -3.02 0.01 0.25 -1.29 2.96 -1.21 -4.95 118.68 111.43 2jxa s LEU 85 Ca 0.20 -1.81 -0.05 0.00 -0.22 0.00 0.00 54.13 52.26 2jxa s LEU 85 Cb -0.04 0.56 0.50 0.00 0.50 0.00 0.00 46.19 47.71 2jxa s LEU 85 CO 0.08 -0.22 1.65 -0.65 -1.32 0.00 0.00 176.35 175.88 2jxa h PRO 86 N 6.66 0.16 -0.47 0.98 0.11 -1.91 -1.00 132.00 136.53 2jxa h PRO 86 Ca 0.08 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.32 2jxa h PRO 86 Cb 1.04 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2jxa h PRO 86 CO 0.20 0.11 0.44 -0.44 -0.21 0.00 0.00 178.00 178.10 2jxa h ASP 87 N 0.17 0.00 -0.82 -2.05 3.32 -1.96 -0.64 116.42 114.44 2jxa h ASP 87 Ca 0.44 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.66 2jxa h ASP 87 Cb 0.80 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 2jxa h ASP 87 CO -0.62 0.00 0.55 0.00 -1.72 0.00 0.00 179.24 177.44 2jxa h ALA 88 N 1.57 2.14 -0.15 3.45 0.00 -1.47 -1.53 119.26 123.26 2jxa h ALA 88 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jxa h ALA 88 Cb 1.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jxa h ALA 88 CO -0.00 -0.37 -0.04 0.35 0.00 0.00 0.00 179.25 179.18 2jxa h PHE 89 N 0.43 0.33 -0.67 0.00 3.57 -1.14 -2.66 116.94 116.81 2jxa h PHE 89 Ca 0.41 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 2jxa h PHE 89 Cb 0.97 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2jxa h PHE 89 CO -0.00 0.58 0.11 1.57 -2.23 0.00 0.00 178.31 178.34 2jxa h LYS 90 N -0.01 1.09 -0.47 1.11 2.10 -1.46 -0.53 116.57 118.39 2jxa h LYS 90 Ca 0.04 -0.28 0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2jxa h LYS 90 Cb 0.47 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 2jxa h LYS 90 CO 0.02 0.99 0.30 0.82 -2.00 0.00 0.00 179.45 179.58 2jxa h ILE 91 N 1.02 1.11 -0.28 0.07 2.04 -1.32 -1.56 117.51 118.59 2jxa h ILE 91 Ca 0.20 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 2jxa h ILE 91 Cb 0.43 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2jxa h ILE 91 CO 0.01 0.11 -0.42 0.24 0.00 0.00 0.00 178.15 178.10 2jxa h MET 92 N 0.62 0.70 -0.53 2.37 2.86 -1.27 -2.51 114.93 117.17 2jxa h MET 92 Ca 0.17 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2jxa h MET 92 Cb -0.06 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 2jxa h MET 92 CO -0.05 0.98 0.31 0.77 1.06 0.00 0.00 176.91 179.99 2jxa h SER 93 N 0.57 0.50 -0.57 1.22 0.02 -0.73 0.31 113.55 114.88 2jxa h SER 93 Ca 0.04 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2jxa h SER 93 Cb 0.96 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2jxa h SER 93 CO 0.09 0.35 0.06 1.56 -1.14 0.00 0.00 176.83 177.75 2jxa h GLN 94 N 0.62 0.99 0.00 3.45 4.20 -1.23 0.21 115.11 123.36 2jxa h GLN 94 Ca 0.21 -0.27 -0.21 0.00 0.06 0.00 0.00 58.65 58.45 2jxa h GLN 94 Cb 0.03 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2jxa h GLN 94 CO -0.10 0.94 -0.91 0.00 -0.67 0.00 0.00 178.83 178.09 2jxa h ARG 95 N 0.93 0.28 0.00 1.46 3.08 -0.94 -3.38 114.38 115.80 2jxa h ARG 95 Ca 0.18 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2jxa h ARG 95 Cb 0.45 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2jxa h ARG 95 CO 0.02 1.02 -0.99 0.00 -1.07 0.00 0.00 179.97 178.95 2jxa n ASN 97 N -1.55 3.68 -0.25 0.00 3.02 0.75 -1.72 115.26 119.19 2jxa n ASN 97 Ca -0.00 1.17 -0.03 0.00 -0.03 0.00 0.00 54.58 55.68 2jxa n ASN 97 Cb 0.15 -1.58 -0.01 0.00 -0.61 0.00 0.00 39.78 37.73 2jxa n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jxa n ASN 98 N 1.67 -4.43 -4.56 6.41 4.13 -0.64 -4.98 115.26 112.87 2jxa n ASN 98 Ca 0.07 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.10 2jxa n ASN 98 Cb 0.37 -2.22 -0.11 0.00 -1.54 0.00 0.00 39.78 36.28 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 -1.59 2.38 0.29 3.52 0.52 -0.70 -4.83 118.95 118.55 2jxa s ARG 99 Ca 0.00 -0.83 0.11 0.00 -0.52 0.00 0.00 55.73 54.49 2jxa s ARG 99 Cb 0.00 -2.40 0.43 0.00 0.52 0.00 0.00 34.95 33.50 2jxa s ARG 99 CO 0.00 0.57 1.66 1.15 0.02 0.00 0.00 175.30 178.70 2jxa h THR 100 N 3.71 1.40 -3.95 0.02 2.02 -1.86 0.62 112.91 114.88 2jxa h THR 100 Ca -0.48 -1.92 -0.11 0.00 0.77 0.00 0.00 66.41 64.67 2jxa h THR 100 Cb 1.16 2.03 -0.15 0.00 -1.74 0.00 0.00 68.15 69.45 2jxa h THR 100 CO 0.52 0.55 -0.51 0.00 0.37 0.00 0.00 175.52 176.45 2jxa s GLN 101 N -3.75 0.69 -0.22 6.66 1.03 -1.26 0.14 119.66 122.96 2jxa s GLN 101 Ca -0.02 -0.98 -0.18 0.00 0.04 0.00 0.00 55.36 54.22 2jxa s GLN 101 Cb 0.13 0.27 0.06 0.00 0.03 0.00 0.00 33.01 33.50 2jxa s GLN 101 CO 0.76 -0.18 0.56 0.00 -2.54 0.00 0.00 175.29 173.89 2jxa s VAL 103 N 0.66 1.40 -0.06 0.00 1.01 -1.26 -0.85 120.40 121.30 2jxa s VAL 103 Ca -0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2jxa s VAL 103 Cb -0.05 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2jxa s VAL 103 CO -0.04 0.42 0.22 -0.69 0.00 0.00 0.00 175.10 175.00 2jxa s VAL 104 N 0.68 0.02 -0.26 2.92 1.01 -0.92 -4.95 120.40 118.91 2jxa s VAL 104 Ca -0.14 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 2jxa s VAL 104 Cb -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2jxa s VAL 104 CO 0.04 -0.10 1.33 -0.69 0.00 0.00 0.00 175.10 175.68 2jxa s VAL 105 N -0.31 4.11 0.00 2.92 1.01 -1.26 -0.59 120.40 126.29 2jxa s VAL 105 Ca -0.04 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 2jxa s VAL 105 Cb -0.03 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2jxa s VAL 105 CO 0.01 -0.37 1.36 0.00 0.00 0.00 0.00 175.10 176.11 2jxa n ALA 106 N 7.48 3.13 0.00 5.51 0.00 -0.40 -4.63 120.51 131.59 2jxa n ALA 106 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2jxa n ALA 106 Cb 0.46 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.97 -0.37 3.13 0.00 0.00 -1.26 -1.94 105.19 106.72 2jxa n GLY 107 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.25 113.62 116.60 2jxa n SER 108 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2jxa n SER 108 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.79 0.00 0.03 -3.46 8.00 -1.26 -1.44 116.55 116.63 2jxa n ASP 109 Ca 0.00 0.48 0.14 0.00 0.71 0.00 0.00 54.79 56.12 2jxa n ASP 109 Cb 0.00 -0.48 0.57 0.00 -0.02 0.00 0.00 41.12 41.18 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 2.32 -3.72 2.24 0.00 -0.46 -4.73 120.51 114.68 2jxa n ALA 110 Ca 0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 2jxa n ALA 110 Cb 0.04 -1.47 -0.15 0.00 0.00 0.00 0.00 19.45 17.87 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 -3.02 -0.17 0.00 0.00 0.08 0.66 -4.86 117.98 110.66 2jxa s PHE 111 Ca 0.13 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.71 2jxa s PHE 111 Cb 0.17 -0.14 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 2jxa s PHE 111 CO 0.55 -0.20 0.00 -2.30 -0.10 0.00 0.00 175.22 173.16 2jxa n PRO 112 N 4.58 2.46 -3.47 0.24 -0.02 -1.26 -4.60 135.00 132.92 2jxa n PRO 112 Ca -0.19 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.00 2jxa n PRO 112 Cb 0.51 0.00 -0.12 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 2.86 -0.03 2.55 -1.08 -1.26 -4.96 116.67 112.13 2jxa s ASP 113 Ca 0.00 -2.32 -0.23 0.00 -0.52 0.00 0.00 52.55 49.48 2jxa s ASP 113 Cb 0.00 -0.45 -0.23 0.00 -1.46 0.00 0.00 42.92 40.78 2jxa s ASP 113 CO 0.00 -0.29 1.06 1.55 0.52 0.00 0.00 175.17 178.01 2jxa h PRO 114 N 6.84 0.25 -2.61 4.34 0.13 -1.92 -3.40 132.00 135.63 2jxa h PRO 114 Ca 0.08 -0.26 -0.60 0.00 -0.87 0.00 0.00 66.00 64.34 2jxa h PRO 114 Cb 0.96 0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.77 2jxa h PRO 114 CO 0.29 0.97 -0.83 0.00 -0.23 0.00 0.00 178.00 178.21 2jxa n PRO 116 N 2.43 2.45 0.00 0.00 -0.02 -1.26 -2.55 135.00 136.05 2jxa n PRO 116 Ca 0.26 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 2jxa n PRO 116 Cb 0.43 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2jxa n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jxa n GLY 117 N 3.64 0.40 3.74 -1.23 0.00 -1.26 -5.09 105.19 105.39 2jxa n GLY 117 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 4.36 -0.72 2.61 2.01 -1.06 -4.49 115.64 116.36 2jxa s THR 118 Ca 0.00 -0.74 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 2jxa s THR 118 Cb 0.00 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.54 2jxa s THR 118 CO 0.00 0.20 1.00 -0.47 -0.69 0.00 0.00 174.62 174.66 2jxa s TYR 119 N -1.29 2.76 0.00 4.92 5.04 -0.56 -4.98 117.35 123.24 2jxa s TYR 119 Ca 0.26 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2jxa s TYR 119 Cb -0.12 -4.30 0.00 0.00 0.35 0.00 0.00 41.96 37.89 2jxa s TYR 119 CO 0.18 -1.62 0.00 1.63 -1.34 0.00 0.00 175.55 174.40 2jxa n LYS 120 N 7.50 2.06 -3.65 4.97 5.02 -1.26 -4.81 118.16 127.99 2jxa n LYS 120 Ca 0.02 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.32 2jxa n LYS 120 Cb 0.46 0.00 -0.01 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 -0.06 -0.08 2.13 -0.85 0.18 -3.70 117.35 114.98 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 0.57 0.02 0.00 0.38 0.00 0.00 41.96 42.93 2jxa s TYR 121 CO 0.00 -0.39 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.40 2jxa s LEU 122 N -2.98 1.24 -0.13 -3.49 2.96 -0.83 -1.17 118.68 114.29 2jxa s LEU 122 Ca 0.14 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2jxa s LEU 122 Cb 0.04 -0.67 -0.00 0.00 0.50 0.00 0.00 46.19 46.05 2jxa s LEU 122 CO -0.03 -0.08 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.03 2jxa s GLU 123 N 1.28 3.14 -0.09 1.98 2.12 -0.82 -1.84 118.70 124.48 2jxa s GLU 123 Ca -0.04 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.48 2jxa s GLU 123 Cb -0.14 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 31.80 2jxa s GLU 123 CO -0.03 0.09 -0.07 0.08 -0.54 0.00 0.00 175.26 174.80 2jxa s VAL 124 N 0.59 0.86 -0.14 3.70 1.01 -0.23 -1.76 120.40 124.43 2jxa s VAL 124 Ca -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2jxa s VAL 124 Cb -0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2jxa s VAL 124 CO 0.03 0.33 -0.05 -1.10 0.00 0.00 0.00 175.10 174.30 2jxa s GLN 125 N 1.43 3.52 0.20 2.72 1.11 0.14 -1.83 119.66 126.95 2jxa s GLN 125 Ca -0.01 -0.55 -0.14 0.00 0.01 0.00 0.00 55.36 54.67 2jxa s GLN 125 Cb -0.13 -2.83 0.01 0.00 -1.01 0.00 0.00 33.01 29.04 2jxa s GLN 125 CO -0.04 0.29 0.46 1.52 0.01 0.00 0.00 175.29 177.53 2jxa s TYR 126 N 0.21 0.10 0.30 0.91 1.13 -0.30 -0.84 117.35 118.88 2jxa s TYR 126 Ca -0.03 -0.46 0.10 0.00 -1.41 0.00 0.00 57.07 55.27 2jxa s TYR 126 Cb -0.14 0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 40.91 2jxa s TYR 126 CO 0.03 -0.89 -0.08 -0.51 -2.51 0.00 0.00 175.55 171.60 2jxa s ASP 127 N -2.93 4.03 -0.24 -0.18 1.01 -0.92 0.05 116.67 117.50 2jxa s ASP 127 Ca 0.14 -0.93 -0.01 0.00 0.71 0.00 0.00 52.55 52.46 2jxa s ASP 127 Cb 0.00 -0.52 0.03 0.00 1.01 0.00 0.00 42.92 43.44 2jxa s ASP 127 CO 0.00 -0.07 -0.09 0.00 0.21 0.00 0.00 175.17 175.22 2jxa s VAL 129 N 1.31 1.91 0.56 0.00 -7.23 -1.05 -4.83 120.40 111.08 2jxa s VAL 129 Ca 0.01 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 2jxa s VAL 129 Cb -0.16 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 2jxa s VAL 129 CO -0.06 -0.35 0.99 -2.65 -0.31 0.00 0.00 175.10 172.72 2jxa n PRO 130 N 0.10 1.04 0.00 4.82 -0.02 -1.26 0.13 135.00 139.81 2jxa n PRO 130 Ca -0.12 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jxa n PRO 130 Cb 0.58 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.44 0.00 -3.66 6.00 9.36 -0.71 -4.61 117.16 122.10 2jxa n TYR 131 Ca 0.12 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.97 2jxa n TYR 131 Cb 0.46 -0.14 -0.06 0.00 -0.63 0.00 0.00 39.34 38.96 2jxa n TYR 131 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2jxa s LYS 132 N -0.71 3.76 -0.18 2.98 0.00 -1.26 -5.04 119.74 119.29 2jxa s LYS 132 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 55.97 56.09 2jxa s LYS 132 Cb 0.00 -3.23 0.09 0.00 0.00 0.00 0.00 37.83 34.69 2jxa s LYS 132 CO 0.00 0.68 0.31 0.14 0.00 0.00 0.00 175.35 176.48 2jxa s VAL 133 N -0.90 -0.48 0.00 1.79 -7.23 -1.26 -5.17 120.40 107.14 2jxa s VAL 133 Ca 0.19 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 2jxa s VAL 133 Cb -0.14 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2jxa s VAL 133 CO 0.09 -0.01 0.00 -0.62 -0.31 0.00 0.00 175.10 174.25