#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 2.08 0.52 0.99 2.34 -1.26 -5.14 118.68 118.22 2jxa s LEU 30 Ca 0.00 -0.31 -0.20 0.00 0.06 0.00 0.00 54.13 53.68 2jxa s LEU 30 Cb 0.00 -0.63 -0.06 0.00 -0.56 0.00 0.00 46.19 44.94 2jxa s LEU 30 CO 0.00 0.11 1.16 -2.16 -1.06 0.00 0.00 176.35 174.40 2jxa s PRO 31 N -0.60 3.42 0.00 1.48 0.04 -1.26 -4.91 135.00 133.17 2jxa s PRO 31 Ca 0.04 1.71 0.29 0.00 0.04 0.00 0.00 61.00 63.07 2jxa s PRO 31 Cb -0.06 -2.12 1.46 0.00 0.04 0.00 0.00 34.50 33.82 2jxa s PRO 31 CO 0.00 -0.82 2.00 1.19 0.04 0.00 0.00 177.00 179.41 2jxa n PHE 32 N -1.09 0.00 -3.16 0.56 3.01 -1.26 -4.89 117.46 110.64 2jxa n PHE 32 Ca 0.11 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.40 2jxa n PHE 32 Cb 0.50 -0.28 0.05 0.00 -0.01 0.00 0.00 39.48 39.74 2jxa n PHE 32 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jxa n GLY 33 N 1.14 -0.12 2.64 1.37 0.00 -1.26 -4.94 105.19 104.03 2jxa n GLY 33 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2jxa n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jxa n LEU 34 N -3.50 -1.41 -1.54 0.99 -0.00 -1.26 -5.13 117.00 105.15 2jxa n LEU 34 Ca -0.01 -3.81 0.01 0.00 -0.00 0.00 0.00 56.01 52.20 2jxa n LEU 34 Cb 0.55 0.57 -0.01 0.00 -0.00 0.00 0.00 43.42 44.54 2jxa n LEU 34 CO 0.43 2.00 -0.46 0.23 -0.00 0.00 0.00 177.39 179.59 2jxa n MET 35 N 0.01 -3.76 -3.38 1.96 2.81 -1.26 -4.87 117.12 108.62 2jxa n MET 35 Ca 0.06 2.93 -0.33 0.00 -1.81 0.00 0.00 57.70 58.55 2jxa n MET 35 Cb 0.75 -3.75 -0.06 0.00 -0.71 0.00 0.00 33.22 29.46 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 -5.26 3.88 -0.05 0.03 0.52 -0.62 -4.90 118.95 112.55 2jxa s ARG 36 Ca 0.00 0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 55.53 2jxa s ARG 36 Cb 0.00 -2.75 0.01 0.00 0.52 0.00 0.00 34.95 32.73 2jxa s ARG 36 CO 0.00 0.38 0.14 0.50 0.02 0.00 0.00 175.30 176.34 2jxa s ARG 37 N -2.48 0.18 -0.00 3.54 3.52 -1.26 -1.94 118.95 120.51 2jxa s ARG 37 Ca 0.44 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.22 2jxa s ARG 37 Cb -0.13 0.09 -0.00 0.00 -1.56 0.00 0.00 34.95 33.35 2jxa s ARG 37 CO 0.20 -0.02 -0.03 -1.21 -0.81 0.00 0.00 175.30 173.42 2jxa s GLU 38 N 0.01 0.27 -0.05 5.12 0.41 -0.80 -5.01 118.70 118.65 2jxa s GLU 38 Ca -0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 54.97 54.40 2jxa s GLU 38 Cb -0.01 -0.25 0.04 0.00 -1.78 0.00 0.00 34.13 32.12 2jxa s GLU 38 CO 0.00 0.07 0.11 -1.17 -0.49 0.00 0.00 175.26 173.78 2jxa s LEU 39 N -0.12 0.73 0.04 1.80 0.20 -1.26 -0.94 118.68 119.12 2jxa s LEU 39 Ca 0.01 0.22 0.05 0.00 0.69 0.00 0.00 54.13 55.10 2jxa s LEU 39 Cb -0.02 0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.93 2jxa s LEU 39 CO -0.00 -0.16 -0.14 0.00 -0.29 0.00 0.00 176.35 175.76 2jxa s ALA 40 N 1.29 1.19 0.20 5.97 0.00 -0.83 -4.99 121.76 124.59 2jxa s ALA 40 Ca -0.08 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 2jxa s ALA 40 Cb -0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 2jxa s ALA 40 CO -0.05 0.23 1.38 0.00 0.00 0.00 0.00 175.76 177.31 2jxa n GLU 42 N 2.76 0.41 -0.36 0.00 2.13 -1.24 -1.75 120.64 122.58 2jxa n GLU 42 Ca 0.07 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2jxa n GLU 42 Cb 0.42 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.72 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 1.80 0.99 3.47 8.31 0.00 -0.70 -4.90 105.19 114.16 2jxa n GLY 43 Ca 0.17 0.00 -0.29 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 -2.87 2.49 0.33 1.61 2.02 -0.72 -4.76 117.35 115.45 2jxa s TYR 44 Ca 0.00 -0.29 -0.28 0.00 -0.37 0.00 0.00 57.07 56.13 2jxa s TYR 44 Cb 0.00 -1.31 -0.10 0.00 -0.40 0.00 0.00 41.96 40.16 2jxa s TYR 44 CO 0.00 0.40 1.24 -1.25 -1.57 0.00 0.00 175.55 174.37 2jxa s PRO 45 N -2.24 4.36 0.09 -1.71 0.04 -1.26 -0.84 135.00 133.45 2jxa s PRO 45 Ca 0.18 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.36 2jxa s PRO 45 Cb -0.10 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2jxa s PRO 45 CO 0.10 -0.13 -0.13 -1.50 0.04 0.00 0.00 177.00 175.38 2jxa s ILE 46 N -1.19 3.18 -0.09 0.56 2.07 0.83 -4.89 121.20 121.68 2jxa s ILE 46 Ca 0.49 -1.29 0.02 0.00 -1.41 0.00 0.00 60.65 58.46 2jxa s ILE 46 Cb -0.37 -2.46 0.01 0.00 0.13 0.00 0.00 42.46 39.78 2jxa s ILE 46 CO 0.48 0.15 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.82 2jxa s GLU 47 N -2.05 2.03 -0.05 3.50 2.12 -1.26 -2.27 118.70 120.71 2jxa s GLU 47 Ca 0.19 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 55.06 2jxa s GLU 47 Cb -0.11 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 2jxa s GLU 47 CO 0.11 -0.00 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.15 2jxa s LEU 48 N 0.80 2.56 -0.11 2.70 1.43 -0.80 -4.98 118.68 120.28 2jxa s LEU 48 Ca -0.11 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2jxa s LEU 48 Cb -0.16 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.60 2jxa s LEU 48 CO 0.02 0.32 0.26 -0.13 0.23 0.00 0.00 176.35 177.05 2jxa s ARG 49 N -0.58 0.22 0.03 1.70 0.52 -1.26 -1.76 118.95 117.82 2jxa s ARG 49 Ca 0.08 0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 55.78 2jxa s ARG 49 Cb -0.11 -0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.22 2jxa s ARG 49 CO 0.01 -0.15 0.25 0.00 0.02 0.00 0.00 175.30 175.43 2jxa s PRO 51 N -2.00 2.78 3.93 0.00 0.04 -1.26 -4.73 135.00 133.77 2jxa s PRO 51 Ca 0.30 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2jxa s PRO 51 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2jxa s PRO 51 CO 0.19 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2jxa n GLY 52 N -1.46 3.09 1.21 0.56 0.00 -1.26 -1.49 105.19 105.84 2jxa n GLY 52 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 3.13 3.28 -4.88 1.61 3.41 -1.26 -5.01 113.62 113.89 2jxa n SER 53 Ca 0.00 -3.44 -0.29 0.00 -0.26 0.00 0.00 58.87 54.88 2jxa n SER 53 Cb 0.00 -0.63 0.08 0.00 -0.26 0.00 0.00 64.21 63.40 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 -2.11 4.70 0.04 4.04 1.01 -0.56 -3.51 116.67 120.28 2jxa s ASP 54 Ca 0.45 0.95 0.05 0.00 0.71 0.00 0.00 52.55 54.72 2jxa s ASP 54 Cb 0.39 -1.57 -0.02 0.00 1.01 0.00 0.00 42.92 42.73 2jxa s ASP 54 CO 0.05 -1.80 -0.15 0.68 0.21 0.00 0.00 175.17 174.16 2jxa s VAL 55 N -3.45 1.22 0.28 -1.27 -7.23 0.22 -4.32 120.40 105.85 2jxa s VAL 55 Ca 0.61 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.48 2jxa s VAL 55 Cb -0.12 -1.09 -0.10 0.00 0.56 0.00 0.00 36.38 35.64 2jxa s VAL 55 CO 0.51 0.08 1.32 -0.63 -0.31 0.00 0.00 175.10 176.06 2jxa s ILE 56 N -0.79 2.89 -0.30 -0.62 1.01 0.36 -2.31 121.20 121.44 2jxa s ILE 56 Ca 0.03 0.82 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2jxa s ILE 56 Cb -0.08 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.96 2jxa s ILE 56 CO 0.01 0.17 0.09 0.00 0.00 0.00 0.00 174.94 175.21 2jxa s MET 57 N -1.07 0.69 0.11 2.79 0.23 -0.17 -1.58 119.30 120.30 2jxa s MET 57 Ca 0.52 -0.99 -0.31 0.00 -1.03 0.00 0.00 55.69 53.88 2jxa s MET 57 Cb -0.39 -1.95 -0.09 0.00 -1.53 0.00 0.00 34.83 30.87 2jxa s MET 57 CO 0.46 -0.96 1.70 0.08 -2.03 0.00 0.00 175.02 174.27 2jxa s VAL 58 N 1.66 2.78 -0.24 5.16 1.01 -1.26 -2.41 120.40 127.10 2jxa s VAL 58 Ca 0.09 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 2jxa s VAL 58 Cb -0.17 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 2jxa s VAL 58 CO -0.25 0.00 -0.33 -0.62 0.00 0.00 0.00 175.10 173.91 2jxa n GLU 59 N 5.31 0.54 -3.77 2.72 -0.58 -0.34 -4.99 120.64 119.52 2jxa n GLU 59 Ca 0.16 0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 57.00 2jxa n GLU 59 Cb 0.39 -1.40 -0.09 0.00 -0.57 0.00 0.00 31.44 29.77 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 -7.14 -0.21 -0.14 1.62 0.01 -1.04 -5.03 114.94 103.01 2jxa s ASN 60 Ca -0.35 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.73 2jxa s ASN 60 Cb 0.13 0.40 0.12 0.00 0.41 0.00 0.00 41.25 42.31 2jxa s ASN 60 CO 0.44 -0.34 0.99 0.00 -1.51 0.00 0.00 177.10 176.68 2jxa s ALA 61 N -0.89 -1.92 0.14 0.60 0.00 -1.26 -0.11 121.76 118.32 2jxa s ALA 61 Ca -0.10 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 2jxa s ALA 61 Cb -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2jxa s ALA 61 CO 0.03 -0.38 0.38 1.21 0.00 0.00 0.00 175.76 177.01 2jxa s ASN 62 N -1.36 -0.16 -0.10 0.00 2.47 -0.60 -3.36 114.94 111.84 2jxa s ASN 62 Ca -0.00 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 52.82 2jxa s ASN 62 Cb -0.01 0.47 0.02 0.00 -1.45 0.00 0.00 41.25 40.29 2jxa s ASN 62 CO -0.00 -0.89 -0.13 -0.47 -3.72 0.00 0.00 177.10 171.89 2jxa s TYR 63 N -3.85 1.79 -0.54 0.43 5.04 -1.26 -1.65 117.35 117.30 2jxa s TYR 63 Ca 0.07 -0.83 0.00 0.00 -2.44 0.00 0.00 57.07 53.87 2jxa s TYR 63 Cb 0.02 -1.33 0.00 0.00 0.35 0.00 0.00 41.96 41.00 2jxa s TYR 63 CO -0.08 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.08 2jxa n GLY 64 N 4.30 -0.31 3.21 8.97 0.00 -0.49 -3.34 105.19 117.52 2jxa n GLY 64 Ca -0.18 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 0.43 0.00 1.61 3.52 -0.84 0.02 118.95 121.69 2jxa s ARG 65 Ca 0.00 0.96 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 2jxa s ARG 65 Cb 0.00 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 2jxa s ARG 65 CO 0.00 -0.44 0.95 0.25 -0.81 0.00 0.00 175.30 175.25 2jxa n THR 66 N 5.40 0.89 -3.75 4.11 -2.24 -1.26 -0.78 114.28 116.65 2jxa n THR 66 Ca -0.06 -0.94 -0.00 0.00 -2.27 0.00 0.00 64.05 60.77 2jxa n THR 66 Cb 0.50 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.43 -0.01 0.00 3.42 2.03 -1.26 -4.78 116.55 115.51 2jxa n ASP 67 Ca 0.00 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.29 2jxa n ASP 67 Cb 0.22 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 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 -2.49 0.00 -0.82 1.67 5.68 -1.26 -4.42 116.55 114.92 2jxa n ASP 68 Ca 0.00 -0.95 0.07 0.00 -0.50 0.00 0.00 54.79 53.42 2jxa n ASP 68 Cb 0.01 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.17 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 2.61 -4.00 0.11 5.02 -1.26 -4.74 118.16 115.90 2jxa n LYS 69 Ca 0.00 -2.12 -0.35 0.00 -2.02 0.00 0.00 58.31 53.81 2jxa n LYS 69 Cb 0.24 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.03 4.99 -1.62 -0.18 -1.09 -1.26 -4.22 121.20 116.79 2jxa s ILE 70 Ca 0.29 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2jxa s ILE 70 Cb 0.16 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 2jxa s ILE 70 CO 0.21 0.53 0.00 0.00 -1.23 0.00 0.00 174.94 174.44 2jxa n ASP 72 N -1.31 0.00 -1.18 0.00 -0.08 -1.26 -4.92 116.55 107.80 2jxa n ASP 72 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2jxa n ASP 72 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 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 0.09 0.00 -1.76 -1.67 0.00 -1.26 -5.10 120.51 110.81 2jxa n ALA 73 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2jxa n ALA 73 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.23 5.55 0.32 0.00 -4.77 -1.26 -4.84 116.67 111.44 2jxa s ASP 74 Ca 0.00 2.64 0.01 0.00 -3.30 0.00 0.00 52.55 51.90 2jxa s ASP 74 Cb 0.00 -2.63 0.57 0.00 -1.09 0.00 0.00 42.92 39.78 2jxa s ASP 74 CO 0.00 -1.37 1.95 1.55 0.70 0.00 0.00 175.17 178.00 2jxa h PRO 75 N 1.66 0.94 -0.53 2.11 0.13 -1.98 -0.71 132.00 133.62 2jxa h PRO 75 Ca -0.50 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 2jxa h PRO 75 Cb 1.28 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2jxa h PRO 75 CO 0.58 0.62 0.14 0.74 -0.23 0.00 0.00 178.00 179.85 2jxa h PHE 76 N 0.96 0.88 -0.00 1.56 0.04 -1.98 0.52 116.94 118.92 2jxa h PHE 76 Ca 0.33 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.00 2jxa h PHE 76 Cb 0.10 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.00 2jxa h PHE 76 CO -0.00 0.77 -0.13 1.04 -0.60 0.00 0.00 178.31 179.39 2jxa n GLN 77 N -4.44 0.49 -0.01 1.51 6.02 -1.02 -3.30 117.38 116.64 2jxa n GLN 77 Ca 0.02 -0.15 0.04 0.00 -0.01 0.00 0.00 57.00 56.90 2jxa n GLN 77 Cb 0.22 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.12 0.36 -0.04 -1.09 2.81 -0.30 0.27 117.12 118.00 2jxa n MET 78 Ca 0.12 -1.08 -0.11 0.00 -1.81 0.00 0.00 57.70 54.83 2jxa n MET 78 Cb 0.29 -1.17 -0.05 0.00 -0.71 0.00 0.00 33.22 31.57 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 1.76 0.25 -6.46 0.03 5.08 0.02 -3.41 114.58 111.85 2jxa h GLU 79 Ca 0.00 -0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.74 2jxa h GLU 79 Cb 0.39 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2jxa h GLU 79 CO 0.00 0.39 0.91 1.21 -1.00 0.00 0.00 179.01 180.52 2jxa s ASN 80 N -5.63 6.75 -0.47 1.42 2.47 -1.26 -4.88 114.94 113.32 2jxa s ASN 80 Ca -0.14 0.88 0.03 0.00 0.42 0.00 0.00 52.86 54.05 2jxa s ASN 80 Cb 0.06 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.84 2jxa s ASN 80 CO 0.71 -1.08 1.76 1.33 -3.72 0.00 0.00 177.10 176.10 2jxa n VAL 81 N 6.33 3.13 -3.44 -5.21 0.24 -1.26 -4.73 118.33 113.39 2jxa n VAL 81 Ca 0.13 -2.82 -0.28 0.00 -2.04 0.00 0.00 64.34 59.33 2jxa n VAL 81 Cb 0.48 -0.79 -0.11 0.00 -1.47 0.00 0.00 33.84 31.94 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 -3.53 0.64 -0.21 7.34 -1.52 -0.47 -4.00 119.66 117.91 2jxa s GLN 82 Ca 0.56 -1.53 -0.05 0.00 -1.95 0.00 0.00 55.36 52.39 2jxa s GLN 82 Cb 0.47 -1.32 0.11 0.00 -0.22 0.00 0.00 33.01 32.04 2jxa s GLN 82 CO 0.03 -1.26 0.40 0.00 -0.25 0.00 0.00 175.29 174.21 2jxa s TYR 84 N 2.59 1.80 -0.36 0.00 1.51 -1.26 -1.98 117.35 119.65 2jxa s TYR 84 Ca 0.04 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2jxa s TYR 84 Cb -0.13 -0.89 0.15 0.00 -0.11 0.00 0.00 41.96 40.98 2jxa s TYR 84 CO -0.14 0.34 0.32 -1.17 -1.11 0.00 0.00 175.55 173.79 2jxa s LEU 85 N -2.79 0.23 0.25 -1.29 2.96 -1.21 -4.94 118.68 111.89 2jxa s LEU 85 Ca 0.17 -1.69 -0.03 0.00 -0.22 0.00 0.00 54.13 52.36 2jxa s LEU 85 Cb -0.05 0.27 0.51 0.00 0.50 0.00 0.00 46.19 47.43 2jxa s LEU 85 CO 0.07 -0.29 1.69 -0.65 -1.32 0.00 0.00 176.35 175.85 2jxa h PRO 86 N 7.16 0.28 -0.60 0.98 0.11 -1.92 -0.72 132.00 137.29 2jxa h PRO 86 Ca 0.03 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.29 2jxa h PRO 86 Cb 1.03 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2jxa h PRO 86 CO 0.23 0.19 0.43 -0.44 -0.21 0.00 0.00 178.00 178.19 2jxa h ASP 87 N 0.29 0.09 -0.75 -2.05 3.32 -1.95 -1.81 116.42 113.55 2jxa h ASP 87 Ca 0.44 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.68 2jxa h ASP 87 Cb 0.77 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 2jxa h ASP 87 CO -0.52 0.04 0.52 0.00 -1.72 0.00 0.00 179.24 177.56 2jxa h ALA 88 N 1.70 2.37 -0.41 3.45 0.00 -1.42 -0.64 119.26 124.31 2jxa h ALA 88 Ca 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2jxa h ALA 88 Cb 1.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2jxa h ALA 88 CO -0.03 -0.58 0.07 0.35 0.00 0.00 0.00 179.25 179.06 2jxa h PHE 89 N 0.23 0.72 -0.51 0.00 3.57 -1.33 -2.61 116.94 117.02 2jxa h PHE 89 Ca 0.37 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 2jxa h PHE 89 Cb 1.12 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2jxa h PHE 89 CO -0.00 0.70 -0.04 1.57 -2.23 0.00 0.00 178.31 178.31 2jxa h LYS 90 N 0.54 0.90 0.33 1.11 2.10 -1.28 -0.53 116.57 119.73 2jxa h LYS 90 Ca 0.13 -0.28 -0.02 0.00 -2.00 0.00 0.00 60.65 58.48 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 0.01 0.92 -0.16 0.82 -2.00 0.00 0.00 179.45 179.04 2jxa h ILE 91 N 0.82 0.67 -0.25 0.07 2.04 -1.28 -0.92 117.51 118.66 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 0.55 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2jxa h ILE 91 CO 0.03 0.00 -0.27 0.24 0.00 0.00 0.00 178.15 178.16 2jxa h MET 92 N -0.45 0.49 -0.37 2.37 2.86 -1.43 -1.69 114.93 116.72 2jxa h MET 92 Ca -0.04 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2jxa h MET 92 Cb 0.35 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2jxa h MET 92 CO 0.07 0.72 0.21 0.77 1.06 0.00 0.00 176.91 179.73 2jxa h SER 93 N 0.43 0.33 -0.34 1.22 0.02 -0.85 0.23 113.55 114.59 2jxa h SER 93 Ca 0.06 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2jxa h SER 93 Cb 0.69 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2jxa h SER 93 CO 0.05 0.24 -0.16 1.56 -1.14 0.00 0.00 176.83 177.39 2jxa h GLN 94 N 0.43 0.80 -0.04 3.45 4.20 -0.96 0.29 115.11 123.27 2jxa h GLN 94 Ca 0.15 -0.29 -0.18 0.00 0.06 0.00 0.00 58.65 58.39 2jxa h GLN 94 Cb 0.02 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2jxa h GLN 94 CO -0.08 0.91 -0.75 0.00 -0.67 0.00 0.00 178.83 178.24 2jxa h ARG 95 N 0.72 0.28 0.00 1.46 3.08 -0.82 -3.37 114.38 115.73 2jxa h ARG 95 Ca 0.11 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2jxa h ARG 95 Cb 0.66 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2jxa h ARG 95 CO 0.05 0.91 -0.64 0.00 -1.07 0.00 0.00 179.97 179.22 2jxa s ASN 97 N -1.95 6.41 -0.53 0.00 0.01 0.10 -1.89 114.94 117.09 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 0.04 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2jxa s ASN 97 CO 0.23 -0.88 0.00 0.59 -1.51 0.00 0.00 177.10 175.54 2jxa n ASN 98 N 1.92 -4.71 -4.47 -1.22 4.13 -0.61 -4.97 115.26 105.32 2jxa n ASN 98 Ca 0.07 0.12 -0.30 0.00 1.68 0.00 0.00 54.58 56.15 2jxa n ASN 98 Cb 0.38 -2.65 -0.12 0.00 -1.54 0.00 0.00 39.78 35.85 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 -1.95 1.98 0.25 3.52 0.52 -0.79 -4.82 118.95 117.66 2jxa s ARG 99 Ca 0.00 -1.04 0.07 0.00 -0.52 0.00 0.00 55.73 54.23 2jxa s ARG 99 Cb 0.00 -2.17 0.27 0.00 0.52 0.00 0.00 34.95 33.57 2jxa s ARG 99 CO 0.00 0.52 1.57 1.15 0.02 0.00 0.00 175.30 178.56 2jxa h THR 100 N 3.81 1.42 -3.22 0.02 2.02 -1.86 1.03 112.91 116.13 2jxa h THR 100 Ca -0.48 -2.08 -0.08 0.00 0.77 0.00 0.00 66.41 64.53 2jxa h THR 100 Cb 1.16 2.09 -0.16 0.00 -1.74 0.00 0.00 68.15 69.50 2jxa h THR 100 CO 0.47 0.61 -0.19 0.00 0.37 0.00 0.00 175.52 176.78 2jxa s GLN 101 N -3.66 0.87 -0.23 6.66 1.03 -1.26 0.87 119.66 123.94 2jxa s GLN 101 Ca -0.03 -0.48 -0.16 0.00 0.04 0.00 0.00 55.36 54.74 2jxa s GLN 101 Cb 0.12 0.38 0.07 0.00 0.03 0.00 0.00 33.01 33.61 2jxa s GLN 101 CO 0.79 -0.29 0.57 0.00 -2.54 0.00 0.00 175.29 173.82 2jxa s VAL 103 N 1.05 2.86 0.01 0.00 1.01 -1.26 -1.90 120.40 122.18 2jxa s VAL 103 Ca -0.06 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2jxa s VAL 103 Cb -0.06 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2jxa s VAL 103 CO -0.10 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 2jxa s VAL 104 N 0.67 0.14 -0.24 2.92 1.01 -0.96 -4.93 120.40 119.01 2jxa s VAL 104 Ca -0.07 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 2jxa s VAL 104 Cb -0.16 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2jxa s VAL 104 CO 0.02 -0.29 0.97 -0.69 0.00 0.00 0.00 175.10 175.11 2jxa s VAL 105 N -0.91 4.71 0.00 2.92 1.01 -1.26 -0.12 120.40 126.76 2jxa s VAL 105 Ca -0.09 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2jxa s VAL 105 Cb -0.06 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2jxa s VAL 105 CO -0.00 -0.18 1.04 0.00 0.00 0.00 0.00 175.10 175.96 2jxa n ALA 106 N 6.27 2.78 0.00 5.51 0.00 -0.02 -4.61 120.51 130.45 2jxa n ALA 106 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2jxa n ALA 106 Cb 0.47 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.55 -0.26 3.86 0.00 0.00 -1.26 -1.72 105.19 107.37 2jxa n GLY 107 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.54 113.62 116.31 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 -2.21 0.00 0.00 -3.46 8.00 -1.26 -1.87 116.55 115.75 2jxa n ASP 109 Ca 0.00 0.44 0.12 0.00 0.71 0.00 0.00 54.79 56.06 2jxa n ASP 109 Cb 0.00 -0.46 0.54 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 -1.46 2.14 -3.66 2.24 0.00 -0.49 -4.70 120.51 114.59 2jxa n ALA 110 Ca 0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 2jxa n ALA 110 Cb 0.07 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.90 -0.03 0.00 0.00 0.08 0.30 -4.86 117.98 110.58 2jxa s PHE 111 Ca 0.15 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2jxa s PHE 111 Cb 0.16 -0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.44 2jxa s PHE 111 CO 0.43 -0.10 0.00 -2.30 -0.10 0.00 0.00 175.22 173.14 2jxa n PRO 112 N 4.06 1.39 -3.53 0.24 -0.02 -1.26 -4.70 135.00 131.18 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 -0.12 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 -2.12 3.08 -0.13 2.55 -1.08 -1.26 -4.99 116.67 112.72 2jxa s ASP 113 Ca 0.00 -2.38 -0.16 0.00 -0.52 0.00 0.00 52.55 49.49 2jxa s ASP 113 Cb 0.00 -0.59 -0.14 0.00 -1.46 0.00 0.00 42.92 40.73 2jxa s ASP 113 CO 0.00 -0.29 0.39 1.55 0.52 0.00 0.00 175.17 177.34 2jxa h PRO 114 N 6.84 0.00 -2.32 4.34 0.13 -1.93 -3.42 132.00 135.64 2jxa h PRO 114 Ca 0.05 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.59 2jxa h PRO 114 Cb 0.95 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.67 2jxa h PRO 114 CO 0.33 0.54 -0.77 0.00 -0.23 0.00 0.00 178.00 177.88 2jxa n PRO 116 N 1.40 2.61 0.00 0.00 -0.04 -1.26 -2.68 135.00 135.03 2jxa n PRO 116 Ca 0.26 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 2jxa n PRO 116 Cb 0.44 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2jxa n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jxa n GLY 117 N 3.22 2.24 3.86 0.55 0.00 -1.26 -5.09 105.19 108.72 2jxa n GLY 117 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.39 4.91 -0.70 2.61 2.01 -1.09 -4.53 115.64 116.46 2jxa s THR 118 Ca 0.00 -0.80 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 2jxa s THR 118 Cb 0.00 -3.48 0.06 0.00 0.01 0.00 0.00 72.50 69.10 2jxa s THR 118 CO 0.00 -0.03 1.05 -0.47 -0.69 0.00 0.00 174.62 174.48 2jxa s TYR 119 N -1.66 2.60 0.00 4.92 5.04 0.76 -4.99 117.35 124.03 2jxa s TYR 119 Ca 0.32 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 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 0.26 -1.74 0.00 1.63 -1.34 0.00 0.00 175.55 174.35 2jxa n LYS 120 N 8.05 1.34 -3.78 4.97 5.02 -1.26 -4.78 118.16 127.72 2jxa n LYS 120 Ca -0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2jxa n LYS 120 Cb 0.46 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 0.21 -0.01 -0.08 2.13 -0.85 0.10 -3.70 117.35 115.15 2jxa s TYR 121 Ca 0.00 -0.13 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 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 -0.36 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.44 2jxa s LEU 122 N -3.31 1.25 -0.09 -3.49 2.96 -0.97 -1.40 118.68 113.63 2jxa s LEU 122 Ca 0.20 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2jxa s LEU 122 Cb 0.02 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 46.04 2jxa s LEU 122 CO -0.02 -0.07 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.01 2jxa s GLU 123 N 1.27 2.80 -0.07 1.98 2.12 -0.66 -1.96 118.70 124.18 2jxa s GLU 123 Ca -0.04 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 54.46 2jxa s GLU 123 Cb -0.14 -2.16 0.03 0.00 0.26 0.00 0.00 34.13 32.12 2jxa s GLU 123 CO -0.03 0.19 -0.02 0.08 -0.54 0.00 0.00 175.26 174.94 2jxa s VAL 124 N 0.31 0.51 -0.15 3.70 1.01 -0.12 -1.55 120.40 124.10 2jxa s VAL 124 Ca -0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2jxa s VAL 124 Cb -0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2jxa s VAL 124 CO 0.08 0.26 -0.05 -1.10 0.00 0.00 0.00 175.10 174.29 2jxa s GLN 125 N 1.56 3.63 0.25 2.72 -0.21 0.84 -1.90 119.66 126.56 2jxa s GLN 125 Ca -0.01 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 54.68 2jxa s GLN 125 Cb -0.13 -2.88 0.00 0.00 1.00 0.00 0.00 33.01 31.00 2jxa s GLN 125 CO -0.04 0.23 0.53 1.52 -2.12 0.00 0.00 175.29 175.41 2jxa s TYR 126 N 0.38 0.23 0.24 0.91 1.13 -0.82 -1.19 117.35 118.24 2jxa s TYR 126 Ca -0.05 -0.62 0.09 0.00 -1.41 0.00 0.00 57.07 55.09 2jxa s TYR 126 Cb -0.14 0.30 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 2jxa s TYR 126 CO 0.03 -1.04 -0.15 -0.51 -2.51 0.00 0.00 175.55 171.37 2jxa s ASP 127 N -2.99 2.96 -0.29 -0.18 1.01 -1.01 -1.59 116.67 114.58 2jxa s ASP 127 Ca 0.20 -1.05 -0.03 0.00 0.71 0.00 0.00 52.55 52.38 2jxa s ASP 127 Cb -0.02 -0.20 0.04 0.00 1.01 0.00 0.00 42.92 43.75 2jxa s ASP 127 CO 0.08 -0.12 0.00 0.00 0.21 0.00 0.00 175.17 175.34 2jxa s VAL 129 N 1.32 2.64 0.55 0.00 -7.23 -0.98 -4.77 120.40 111.94 2jxa s VAL 129 Ca -0.02 -1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 58.06 2jxa s VAL 129 Cb -0.18 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 2jxa s VAL 129 CO -0.01 -0.17 1.22 -2.84 -0.31 0.00 0.00 175.10 172.99 2jxa s PRO 130 N -3.76 3.20 0.00 4.82 0.02 -1.26 0.69 135.00 138.70 2jxa s PRO 130 Ca 0.36 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2jxa s PRO 130 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2jxa s PRO 130 CO 0.20 -1.04 0.00 0.98 -0.33 0.00 0.00 177.00 176.81 2jxa n TYR 131 N -1.22 0.00 0.00 6.54 9.36 -1.23 -4.71 117.16 125.89 2jxa n TYR 131 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2jxa n TYR 131 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 2jxa n TYR 131 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jxa n LYS 132 N 0.00 0.00 -3.80 2.98 4.81 -1.26 -5.03 118.16 115.87 2jxa n LYS 132 Ca 0.00 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 2jxa n LYS 132 Cb 0.00 -0.54 -0.13 0.00 0.02 0.00 0.00 35.03 34.38 2jxa n LYS 132 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2jxa s VAL 133 N -0.59 -0.02 0.00 3.15 1.01 -1.26 -5.26 120.40 117.44 2jxa s VAL 133 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2jxa s VAL 133 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2jxa s VAL 133 CO 0.00 0.03 0.00 1.21 0.00 0.00 0.00 175.10 176.34