#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jox n GLY 3 N 0.00 1.34 0.26 0.00 0.00 -1.26 -4.60 105.19 100.94 2jox n GLY 3 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2jox n GLY 3 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jox h ASP 4 N 0.00 0.00 0.11 1.61 3.32 -1.94 -2.56 116.42 116.95 2jox h ASP 4 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2jox h ASP 4 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jox h ASP 4 CO 0.00 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.46 2jox s VAL 6 N -4.62 3.44 0.23 0.00 -7.23 -0.97 -0.78 120.40 110.47 2jox s VAL 6 Ca -0.04 -0.60 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 2jox s VAL 6 Cb 0.15 -2.39 0.08 0.00 0.56 0.00 0.00 36.38 34.78 2jox s VAL 6 CO 0.60 0.58 1.69 -0.08 -0.31 0.00 0.00 175.10 177.59 2jox h GLU 7 N 5.23 0.84 -4.17 4.82 4.81 -1.07 -3.44 114.58 121.60 2jox h GLU 7 Ca -0.48 -0.27 -0.27 0.00 -0.13 0.00 0.00 59.36 58.22 2jox h GLU 7 Cb 1.16 -0.08 -0.26 0.00 0.63 0.00 0.00 28.75 30.21 2jox h GLU 7 CO 0.51 0.89 -0.73 0.15 -0.73 0.00 0.00 179.01 179.10 2jox s LYS 8 N -4.86 0.33 -0.11 1.92 -0.14 -1.26 -5.13 119.74 110.47 2jox s LYS 8 Ca -0.10 -0.33 -0.28 0.00 -1.36 0.00 0.00 55.97 53.90 2jox s LYS 8 Cb 0.14 -0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.07 2jox s LYS 8 CO 0.83 0.05 0.95 -1.21 -0.76 0.00 0.00 175.35 175.21 2jox s GLU 9 N -0.62 4.40 -1.18 1.68 2.02 -1.26 -4.27 118.70 119.47 2jox s GLU 9 Ca -0.04 1.28 -0.27 0.00 0.02 0.00 0.00 54.97 55.97 2jox s GLU 9 Cb -0.04 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.66 2jox s GLU 9 CO -0.00 -0.29 0.73 0.66 0.02 0.00 0.00 175.26 176.39 2jox n TYR 10 N 4.94 -1.67 -1.91 1.61 4.02 -0.90 -4.93 117.16 118.32 2jox n TYR 10 Ca 0.07 0.29 -0.38 0.00 -0.01 0.00 0.00 57.90 57.87 2jox n TYR 10 Cb 0.49 -3.15 0.03 0.00 -0.02 0.00 0.00 39.34 36.69 2jox n TYR 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2jox s PRO 11 N -6.65 3.22 0.33 -0.72 0.04 -1.26 -3.66 135.00 126.31 2jox s PRO 11 Ca 0.47 2.08 -0.26 0.00 0.04 0.00 0.00 61.00 63.33 2jox s PRO 11 Cb -0.21 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 2jox s PRO 11 CO 0.91 -1.08 0.97 -0.80 0.04 0.00 0.00 177.00 177.05 2jox s ASN 12 N -1.14 7.25 -0.23 6.66 0.02 -1.26 -0.93 114.94 125.32 2jox s ASN 12 Ca 0.71 1.89 0.10 0.00 -1.02 0.00 0.00 52.86 54.55 2jox s ASN 12 Cb -0.37 -2.58 0.43 0.00 0.02 0.00 0.00 41.25 38.75 2jox s ASN 12 CO 0.43 -0.13 1.23 0.54 0.02 0.00 0.00 177.10 179.18 2jox n ARG 13 N 0.52 1.88 -3.37 -0.60 5.12 -1.26 -4.93 116.66 114.02 2jox n ARG 13 Ca 0.02 -3.42 -0.24 0.00 -1.93 0.00 0.00 57.85 52.27 2jox n ARG 13 Cb 0.50 -1.72 0.03 0.00 -1.16 0.00 0.00 32.46 30.10 2jox n ARG 13 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jox n GLY 14 N -1.06 -0.51 1.81 -0.13 0.00 -1.26 -1.90 105.19 102.13 2jox n GLY 14 Ca 0.23 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2jox n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jox n ASN 15 N -2.60 -1.67 -4.65 1.61 4.13 -1.26 -5.05 115.26 105.76 2jox n ASN 15 Ca -0.04 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.80 2jox n ASN 15 Cb 0.57 -0.28 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 2jox n ASN 15 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2jox s THR 16 N -2.46 3.76 -0.25 3.41 2.01 -0.80 -4.37 115.64 116.94 2jox s THR 16 Ca 0.00 0.91 0.02 0.00 0.31 0.00 0.00 61.69 62.92 2jox s THR 16 Cb 0.00 -3.64 0.06 0.00 0.01 0.00 0.00 72.50 68.93 2jox s THR 16 CO 0.00 -0.15 -0.08 0.00 -0.69 0.00 0.00 174.62 173.71 2jox s LEU 18 N 1.25 2.28 0.00 0.00 1.02 -1.26 -4.99 118.68 116.98 2jox s LEU 18 Ca -0.07 -0.58 0.24 0.00 0.02 0.00 0.00 54.13 53.74 2jox s LEU 18 Cb -0.19 -1.33 0.22 0.00 0.02 0.00 0.00 46.19 44.91 2jox s LEU 18 CO -0.06 0.25 1.22 -1.84 0.02 0.00 0.00 176.35 175.94 2jox n GLU 19 N 1.61 0.65 -3.80 1.70 0.00 -1.26 -4.69 120.64 114.84 2jox n GLU 19 Ca -0.17 -0.48 -0.12 0.00 0.00 0.00 0.00 57.16 56.38 2jox n GLU 19 Cb 0.52 -1.49 -0.09 0.00 0.00 0.00 0.00 31.44 30.38 2jox n GLU 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2jox s ASN 20 N -2.68 -0.11 0.00 -1.84 0.01 -1.26 -5.03 114.94 104.03 2jox s ASN 20 Ca 0.16 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2jox s ASN 20 Cb 0.18 0.28 0.00 0.00 0.41 0.00 0.00 41.25 42.12 2jox s ASN 20 CO 0.65 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 2jox n GLY 21 N 1.42 0.77 3.14 0.66 0.00 -1.26 -5.08 105.19 104.84 2jox n GLY 21 Ca -0.22 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.49 2jox n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jox s SER 22 N -1.16 -0.11 -1.20 1.61 0.01 -1.26 -5.06 113.70 106.53 2jox s SER 22 Ca 0.00 0.73 -0.20 0.00 1.31 0.00 0.00 55.95 57.79 2jox s SER 22 Cb 0.00 1.28 -0.02 0.00 0.21 0.00 0.00 66.02 67.49 2jox s SER 22 CO 0.00 -0.25 1.91 0.33 0.41 0.00 0.00 173.24 175.63 2jox n PHE 23 N 5.38 3.41 -0.21 2.43 7.35 -1.26 -4.84 117.46 129.72 2jox n PHE 23 Ca -0.07 -2.23 0.28 0.00 -0.76 0.00 0.00 57.45 54.67 2jox n PHE 23 Cb 0.50 -2.48 0.69 0.00 0.35 0.00 0.00 39.48 38.53 2jox n PHE 23 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2jox h LEU 24 N 14.17 0.08 -1.55 -2.13 3.38 -1.96 -0.52 115.31 126.79 2jox h LEU 24 Ca 0.38 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 2jox h LEU 24 Cb 0.83 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2jox h LEU 24 CO 1.52 0.03 -0.02 -0.07 0.09 0.00 0.00 178.44 179.99 2jox h LEU 25 N 0.08 0.00 0.00 1.67 3.38 -1.99 -3.11 115.31 115.34 2jox h LEU 25 Ca 0.46 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.06 2jox h LEU 25 Cb 1.68 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.36 2jox h LEU 25 CO -0.05 0.02 -2.38 -3.20 0.09 0.00 0.00 178.44 172.93 2jox n ASN 26 N -3.13 0.67 -4.60 -0.43 5.15 -0.28 -4.88 115.26 107.76 2jox n ASN 26 Ca 0.00 -0.04 -0.43 0.00 -0.60 0.00 0.00 54.58 53.51 2jox n ASN 26 Cb 0.30 0.60 -0.03 0.00 -0.53 0.00 0.00 39.78 40.12 2jox n ASN 26 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2jox s PHE 27 N -2.48 1.67 -2.17 1.20 5.36 -0.72 -0.47 117.98 120.36 2jox s PHE 27 Ca -0.17 0.57 0.18 0.00 -0.96 0.00 0.00 56.93 56.55 2jox s PHE 27 Cb 0.07 -4.07 0.53 0.00 -0.34 0.00 0.00 43.02 39.20 2jox s PHE 27 CO 0.74 -3.29 1.42 0.25 -1.46 0.00 0.00 175.22 172.89 2jox n THR 28 N 7.38 0.43 0.00 0.12 -2.24 0.04 -4.87 114.28 115.14 2jox n THR 28 Ca 0.24 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2jox n THR 28 Cb 0.46 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2jox n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jox n GLY 29 N 1.21 0.60 3.33 3.38 0.00 -1.24 -4.91 105.19 107.57 2jox n GLY 29 Ca 0.16 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 2jox n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jox n ALA 31 N -4.33 1.33 0.03 0.00 0.00 -1.26 -3.41 120.51 112.88 2jox n ALA 31 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2jox n ALA 31 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 2jox n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jox h VAL 32 N 0.00 1.35 0.00 0.00 2.07 -1.98 -3.40 116.25 114.29 2jox h VAL 32 Ca 0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2jox h VAL 32 Cb 0.00 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2jox h VAL 32 CO 0.00 0.62 -0.28 0.00 0.02 0.00 0.00 177.57 177.93 2jox n SER 34 N -0.60 -2.77 -4.83 0.00 2.88 -1.22 -5.04 113.62 102.04 2jox n SER 34 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 2jox n SER 34 Cb 0.00 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 62.94 2jox n SER 34 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jox s LYS 35 N -1.16 4.15 0.26 -1.46 -0.14 -1.26 -4.64 119.74 115.49 2jox s LYS 35 Ca 0.00 0.80 0.10 0.00 -1.36 0.00 0.00 55.97 55.52 2jox s LYS 35 Cb 0.00 -2.63 -0.05 0.00 -1.68 0.00 0.00 37.83 33.47 2jox s LYS 35 CO 0.00 0.26 -0.17 0.50 -0.76 0.00 0.00 175.35 175.18 2jox s ARG 36 N -2.52 1.57 -1.26 1.68 3.52 -1.26 -0.29 118.95 120.39 2jox s ARG 36 Ca 0.49 -1.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.37 2jox s ARG 36 Cb -0.13 -1.52 0.00 0.00 -1.56 0.00 0.00 34.95 31.74 2jox s ARG 36 CO 0.19 0.25 0.00 -0.40 -0.81 0.00 0.00 175.30 174.53 2jox n ASP 37 N -0.56 -3.95 -3.95 -2.12 5.68 -1.26 -4.95 116.55 105.45 2jox n ASP 37 Ca -0.06 0.23 -0.31 0.00 -0.50 0.00 0.00 54.79 54.15 2jox n ASP 37 Cb 0.61 -3.46 -0.15 0.00 -1.14 0.00 0.00 41.12 36.98 2jox n ASP 37 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 2jox s PHE 38 N -2.48 3.27 -0.07 2.11 0.40 -1.26 -5.05 117.98 114.91 2jox s PHE 38 Ca 0.00 -2.78 -0.31 0.00 -0.60 0.00 0.00 56.93 53.25 2jox s PHE 38 Cb 0.00 -2.66 0.07 0.00 0.51 0.00 0.00 43.02 40.94 2jox s PHE 38 CO 0.00 -0.91 0.70 0.00 0.70 0.00 0.00 175.22 175.72 2jox s MET 39 N 0.88 1.02 0.27 0.44 0.23 -1.26 -2.72 119.30 118.15 2jox s MET 39 Ca 0.12 0.28 0.06 0.00 -1.03 0.00 0.00 55.69 55.11 2jox s MET 39 Cb -0.20 0.48 -0.06 0.00 -1.53 0.00 0.00 34.83 33.53 2jox s MET 39 CO -0.10 -0.31 -0.04 -0.51 -2.03 0.00 0.00 175.02 172.03 2jox s LEU 40 N -1.12 2.40 -0.06 0.18 2.01 0.36 -4.75 118.68 117.70 2jox s LEU 40 Ca -0.10 -1.21 0.03 0.00 0.01 0.00 0.00 54.13 52.87 2jox s LEU 40 Cb -0.00 -0.54 0.00 0.00 0.01 0.00 0.00 46.19 45.66 2jox s LEU 40 CO 0.09 -0.40 -0.17 -0.63 1.01 0.00 0.00 176.35 176.26 2jox s ILE 41 N -3.12 1.45 0.29 -0.59 1.01 -1.26 -1.01 121.20 117.97 2jox s ILE 41 Ca 0.29 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 2jox s ILE 41 Cb 0.04 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2jox s ILE 41 CO 0.11 0.42 0.37 0.28 0.00 0.00 0.00 174.94 176.13 2jox s THR 42 N 0.34 0.00 -1.58 2.92 -1.32 -1.22 -4.93 115.64 109.84 2jox s THR 42 Ca -0.11 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2jox s THR 42 Cb -0.14 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2jox s THR 42 CO 0.04 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.25 2jox n ASN 43 N -0.94 -4.93 -4.60 8.08 5.15 -1.26 -3.53 115.26 113.23 2jox n ASN 43 Ca 0.01 0.37 -0.43 0.00 -0.60 0.00 0.00 54.58 53.93 2jox n ASN 43 Cb 0.63 -4.11 -0.03 0.00 -0.53 0.00 0.00 39.78 35.74 2jox n ASN 43 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2jox s LYS 44 N -3.21 3.13 0.19 1.20 2.20 -1.26 -4.69 119.74 117.29 2jox s LYS 44 Ca 0.00 1.96 0.06 0.00 -0.36 0.00 0.00 55.97 57.64 2jox s LYS 44 Cb 0.00 -4.36 -0.04 0.00 -1.51 0.00 0.00 37.83 31.92 2jox s LYS 44 CO 0.00 -2.11 0.10 -1.12 -0.36 0.00 0.00 175.35 171.87 2jox s SER 45 N 8.17 5.27 -0.01 1.43 0.01 0.32 -5.00 113.70 123.90 2jox s SER 45 Ca 0.99 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 58.00 2jox s SER 45 Cb -0.32 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2jox s SER 45 CO 0.35 0.05 -0.01 -0.22 0.41 0.00 0.00 173.24 173.81 2jox s LEU 46 N -3.24 1.82 0.04 2.44 0.20 -1.26 -1.37 118.68 117.30 2jox s LEU 46 Ca 0.30 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 55.14 2jox s LEU 46 Cb -0.09 -0.12 -0.02 0.00 -0.43 0.00 0.00 46.19 45.53 2jox s LEU 46 CO 0.22 -0.00 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.41 2jox s LYS 47 N 0.19 0.78 -0.09 1.98 2.20 0.12 -4.99 119.74 119.92 2jox s LYS 47 Ca -0.02 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2jox s LYS 47 Cb -0.04 -0.74 0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2jox s LYS 47 CO -0.01 0.18 0.06 -1.21 -0.36 0.00 0.00 175.35 174.01 2jox s GLU 48 N -1.22 0.12 -0.17 4.03 2.02 -1.26 -0.21 118.70 122.01 2jox s GLU 48 Ca -0.01 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.13 2jox s GLU 48 Cb -0.08 -1.09 0.01 0.00 0.10 0.00 0.00 34.13 33.08 2jox s GLU 48 CO 0.01 -0.45 -0.18 -1.21 0.02 0.00 0.00 175.26 173.45 2jox s GLU 49 N 2.11 3.06 -0.55 1.61 2.02 -0.45 -4.90 118.70 121.60 2jox s GLU 49 Ca 0.04 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2jox s GLU 49 Cb -0.14 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2jox s GLU 49 CO -0.05 -0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.61 2jox n ASP 50 N 4.47 -1.43 0.00 -0.19 2.03 -1.26 -0.45 116.55 119.72 2jox n ASP 50 Ca -0.20 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2jox n ASP 50 Cb 0.51 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 2jox n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jox n GLY 51 N -0.13 2.02 3.74 0.27 0.00 -1.26 -4.98 105.19 104.86 2jox n GLY 51 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2jox n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jox s GLU 52 N -0.02 4.56 -0.11 1.61 2.12 0.40 -4.45 118.70 122.82 2jox s GLU 52 Ca 0.00 1.79 0.03 0.00 0.36 0.00 0.00 54.97 57.15 2jox s GLU 52 Cb 0.00 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 2jox s GLU 52 CO 0.00 0.04 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.35 2jox s GLU 53 N -0.53 3.17 -0.03 4.30 2.02 0.92 -1.34 118.70 127.21 2jox s GLU 53 Ca 0.50 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.74 2jox s GLU 53 Cb -0.31 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2jox s GLU 53 CO 0.37 0.19 -0.22 0.42 0.02 0.00 0.00 175.26 176.04 2jox s ILE 54 N 0.36 1.75 -0.11 -1.63 1.09 0.71 -0.22 121.20 123.15 2jox s ILE 54 Ca -0.16 -0.93 -0.01 0.00 -1.10 0.00 0.00 60.65 58.45 2jox s ILE 54 Cb -0.17 -1.47 0.03 0.00 -1.06 0.00 0.00 42.46 39.79 2jox s ILE 54 CO 0.08 0.50 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.69 2jox s VAL 55 N -0.35 0.72 -0.07 2.92 1.01 0.64 -0.70 120.40 124.57 2jox s VAL 55 Ca 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2jox s VAL 55 Cb -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 2jox s VAL 55 CO 0.01 0.22 -0.22 0.42 0.00 0.00 0.00 175.10 175.53 2jox s THR 56 N 1.82 1.84 0.00 3.92 -4.23 -0.47 -0.68 115.64 117.84 2jox s THR 56 Ca 0.04 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2jox s THR 56 Cb -0.13 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.12 2jox s THR 56 CO -0.07 0.51 0.00 0.00 -0.54 0.00 0.00 174.62 174.53 2jox n TYR 57 N 3.27 -0.45 -4.02 3.99 4.11 -0.14 -0.52 117.16 123.39 2jox n TYR 57 Ca -0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.64 2jox n TYR 57 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.77 2jox n TYR 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2jox s ASP 58 N -0.53 0.36 -0.09 9.48 1.01 -1.23 -1.24 116.67 124.43 2jox s ASP 58 Ca 0.00 -0.83 -0.01 0.00 0.71 0.00 0.00 52.55 52.42 2jox s ASP 58 Cb 0.00 0.22 -0.03 0.00 1.01 0.00 0.00 42.92 44.12 2jox s ASP 58 CO 0.00 -0.58 -0.03 -1.00 0.21 0.00 0.00 175.17 173.77 2jox s HIS 59 N -3.50 3.07 -0.04 4.23 3.76 0.01 -3.45 115.29 119.36 2jox s HIS 59 Ca 0.03 0.07 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 2jox s HIS 59 Cb 0.05 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2jox s HIS 59 CO -0.09 0.36 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.58 2jox s LEU 60 N -0.70 1.50 0.06 0.89 1.02 -0.18 -0.65 118.68 120.62 2jox s LEU 60 Ca 0.11 -0.18 -0.32 0.00 0.02 0.00 0.00 54.13 53.76 2jox s LEU 60 Cb -0.12 -0.55 -0.11 0.00 0.02 0.00 0.00 46.19 45.43 2jox s LEU 60 CO 0.02 -0.01 1.82 0.00 0.02 0.00 0.00 176.35 178.20 2jox n LYS 62 N 5.77 0.09 -0.03 0.00 3.00 -1.10 -0.51 118.16 125.38 2jox n LYS 62 Ca 0.19 0.52 -0.03 0.00 -0.00 0.00 0.00 58.31 58.99 2jox n LYS 62 Cb 0.34 -1.76 -0.01 0.00 0.00 0.00 0.00 35.03 33.60 2jox n LYS 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jox n ASN 63 N -1.95 0.70 -0.29 3.14 5.15 -1.26 -4.73 115.26 116.01 2jox n ASN 63 Ca 0.00 0.23 0.12 0.00 -0.60 0.00 0.00 54.58 54.33 2jox n ASN 63 Cb 0.07 -0.61 0.19 0.00 -0.53 0.00 0.00 39.78 38.91 2jox n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jox n HIS 65 N -0.57 -0.35 -2.13 0.00 8.25 0.33 -4.95 115.22 115.80 2jox n HIS 65 Ca 0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 2jox n HIS 65 Cb 0.39 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 28.92 2jox n HIS 65 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jox s HIS 66 N -2.12 2.71 -0.59 4.41 5.65 -1.26 -4.59 115.29 119.49 2jox s HIS 66 Ca 0.00 1.49 -0.27 0.00 0.25 0.00 0.00 55.06 56.53 2jox s HIS 66 Cb 0.00 -3.49 0.01 0.00 -1.18 0.00 0.00 32.58 27.92 2jox s HIS 66 CO 0.00 -1.88 1.51 0.08 -0.65 0.00 0.00 174.74 173.80 2jox s VAL 67 N -1.49 3.66 0.16 0.89 1.01 -1.26 -1.46 120.40 121.91 2jox s VAL 67 Ca 0.66 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.99 2jox s VAL 67 Cb -0.32 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 31.73 2jox s VAL 67 CO 0.38 -1.20 1.82 0.40 0.00 0.00 0.00 175.10 176.51 2jox h ILE 68 N 6.45 1.12 -2.60 2.22 2.04 -1.23 -3.36 117.51 122.14 2jox h ILE 68 Ca -0.27 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.45 2jox h ILE 68 Cb 1.10 0.44 -0.10 0.00 -0.74 0.00 0.00 36.82 37.52 2jox h ILE 68 CO 1.20 0.12 0.37 0.00 0.00 0.00 0.00 178.15 179.84 2jox s ALA 69 N -6.14 -1.61 0.02 1.87 0.00 -1.22 -3.43 121.76 111.25 2jox s ALA 69 Ca -0.13 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2jox s ALA 69 Cb 0.12 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2jox s ALA 69 CO 0.73 -0.88 -0.04 1.03 0.00 0.00 0.00 175.76 176.60 2jox s ARG 70 N -3.47 2.59 -0.02 0.00 3.00 -1.26 -0.81 118.95 118.97 2jox s ARG 70 Ca 0.07 -0.72 0.05 0.00 0.00 0.00 0.00 55.73 55.13 2jox s ARG 70 Cb -0.02 -2.54 -0.01 0.00 0.00 0.00 0.00 34.95 32.38 2jox s ARG 70 CO -0.04 0.60 -0.16 -1.58 0.00 0.00 0.00 175.30 174.12 2jox s HIS 71 N -1.07 1.52 -0.02 -0.53 2.46 -0.37 -2.73 115.29 114.56 2jox s HIS 71 Ca 0.19 -0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.39 2jox s HIS 71 Cb -0.11 -0.99 0.02 0.00 -0.13 0.00 0.00 32.58 31.37 2jox s HIS 71 CO 0.10 -0.06 0.02 -2.00 -2.47 0.00 0.00 174.74 170.32 2jox s GLU 72 N -0.26 0.04 -0.07 2.88 2.12 -0.05 -0.97 118.70 122.38 2jox s GLU 72 Ca 0.04 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.48 2jox s GLU 72 Cb -0.08 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.11 2jox s GLU 72 CO 0.00 -0.11 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.07 2jox s TYR 73 N 0.74 1.09 -0.03 5.30 5.04 0.14 -0.34 117.35 129.29 2jox s TYR 73 Ca -0.06 -0.41 0.03 0.00 -2.44 0.00 0.00 57.07 54.19 2jox s TYR 73 Cb -0.09 -0.92 -0.00 0.00 0.35 0.00 0.00 41.96 41.30 2jox s TYR 73 CO -0.02 -0.30 -0.13 0.95 -1.34 0.00 0.00 175.55 174.70 2jox s THR 74 N 1.17 1.13 -0.07 4.34 -4.23 0.34 -0.26 115.64 118.05 2jox s THR 74 Ca -0.06 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2jox s THR 74 Cb -0.14 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.74 2jox s THR 74 CO -0.01 0.33 -0.09 0.12 -0.54 0.00 0.00 174.62 174.43 2jox s PHE 75 N 0.09 1.28 0.02 3.99 5.36 0.70 -0.60 117.98 128.81 2jox s PHE 75 Ca -0.03 -0.50 0.06 0.00 -0.96 0.00 0.00 56.93 55.51 2jox s PHE 75 Cb -0.10 -1.01 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 2jox s PHE 75 CO 0.01 -0.31 -0.18 -1.12 -1.46 0.00 0.00 175.22 172.16 2jox s SER 76 N 0.98 2.18 -0.20 6.13 0.01 0.34 -0.05 113.70 123.08 2jox s SER 76 Ca -0.09 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2jox s SER 76 Cb -0.15 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 2jox s SER 76 CO 0.00 0.17 -0.10 -0.63 0.41 0.00 0.00 173.24 173.09 2jox s ILE 77 N -0.64 2.98 -0.17 1.44 1.01 -1.26 0.21 121.20 124.78 2jox s ILE 77 Ca 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2jox s ILE 77 Cb -0.08 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2jox s ILE 77 CO 0.01 0.47 -0.20 0.00 0.00 0.00 0.00 174.94 175.21 2jox s MET 78 N 1.27 3.00 0.00 2.79 0.23 -0.73 -4.86 119.30 120.99 2jox s MET 78 Ca 0.03 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 53.86 2jox s MET 78 Cb -0.14 -2.54 0.00 0.00 -1.53 0.00 0.00 34.83 30.61 2jox s MET 78 CO -0.04 -0.17 0.00 -3.47 -2.03 0.00 0.00 175.02 169.31 2jox n ASP 79 N 4.51 0.00 0.00 -1.18 2.03 -1.26 -1.24 116.55 119.41 2jox n ASP 79 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2jox n ASP 79 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jox n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jox n GLU 80 N 0.00 0.05 -4.42 -0.67 1.02 -1.26 -5.09 120.64 110.27 2jox n GLU 80 Ca 0.00 -0.26 -0.21 0.00 -0.02 0.00 0.00 57.16 56.66 2jox n GLU 80 Cb 0.00 -0.54 -0.09 0.00 -0.02 0.00 0.00 31.44 30.78 2jox n GLU 80 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2jox s PHE 81 N -0.03 1.76 0.03 -0.32 0.08 -0.37 -0.56 117.98 118.56 2jox s PHE 81 Ca 0.00 -1.18 0.07 0.00 0.12 0.00 0.00 56.93 55.94 2jox s PHE 81 Cb 0.00 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 2jox s PHE 81 CO 0.00 -0.26 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.01 2jox s GLN 82 N -3.85 1.47 -0.08 0.44 -0.21 0.94 -1.77 119.66 116.60 2jox s GLN 82 Ca 0.33 -0.89 0.04 0.00 0.02 0.00 0.00 55.36 54.86 2jox s GLN 82 Cb 0.06 -1.54 0.00 0.00 1.00 0.00 0.00 33.01 32.53 2jox s GLN 82 CO 0.15 0.40 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.31 2jox s GLU 83 N -0.98 2.57 -0.09 2.91 2.02 0.13 -0.51 118.70 124.75 2jox s GLU 83 Ca 0.08 -0.74 0.04 0.00 0.02 0.00 0.00 54.97 54.36 2jox s GLU 83 Cb -0.09 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.14 2jox s GLU 83 CO 0.01 0.17 -0.21 0.71 0.02 0.00 0.00 175.26 175.95 2jox s TYR 84 N 0.35 2.27 0.01 1.61 1.51 0.31 -0.51 117.35 122.90 2jox s TYR 84 Ca -0.15 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.02 2jox s TYR 84 Cb -0.17 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 2jox s TYR 84 CO 0.07 -0.36 -0.01 0.95 -1.11 0.00 0.00 175.55 175.09 2jox s THR 85 N 0.35 0.05 0.01 -0.71 -4.23 0.23 -0.84 115.64 110.51 2jox s THR 85 Ca -0.16 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 2jox s THR 85 Cb -0.17 -0.10 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 2jox s THR 85 CO 0.07 -0.15 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.65 2jox s MET 86 N -0.46 0.25 -0.27 3.99 0.00 0.07 -0.51 119.30 122.39 2jox s MET 86 Ca -0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 55.69 55.30 2jox s MET 86 Cb -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 34.83 34.85 2jox s MET 86 CO -0.00 0.01 0.38 -1.17 0.00 0.00 0.00 175.02 174.24 2jox s LEU 87 N -0.70 -0.64 -0.03 4.11 2.96 0.53 -1.01 118.68 123.90 2jox s LEU 87 Ca -0.06 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2jox s LEU 87 Cb -0.05 1.03 0.01 0.00 0.50 0.00 0.00 46.19 47.69 2jox s LEU 87 CO -0.00 -0.33 0.08 0.00 -1.32 0.00 0.00 176.35 174.77 2jox h LEU 89 N 6.40 0.39 0.00 0.00 5.85 -1.81 -1.75 115.31 124.39 2jox h LEU 89 Ca -0.30 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2jox h LEU 89 Cb 1.18 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2jox h LEU 89 CO 0.46 0.29 -0.58 -0.11 -0.34 0.00 0.00 178.44 178.16 2jox n LEU 90 N -4.48 1.32 -0.24 2.25 7.94 -1.26 -2.13 117.00 120.41 2jox n LEU 90 Ca 0.02 0.33 -0.06 0.00 -1.11 0.00 0.00 56.01 55.18 2jox n LEU 90 Cb 0.07 -0.70 0.07 0.00 0.53 0.00 0.00 43.42 43.39 2jox n LEU 90 CO 0.35 -0.39 0.95 0.00 -1.11 0.00 0.00 177.39 177.19 2jox n GLY 92 N -0.70 1.77 3.26 0.00 0.00 -0.66 -4.75 105.19 104.11 2jox n GLY 92 Ca 0.05 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 2jox n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jox s LYS 93 N -1.42 3.14 0.05 1.61 2.20 -0.11 -0.79 119.74 124.42 2jox s LYS 93 Ca 0.00 -0.78 -0.05 0.00 -0.36 0.00 0.00 55.97 54.78 2jox s LYS 93 Cb 0.00 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.30 2jox s LYS 93 CO 0.00 -0.29 0.09 0.00 -0.36 0.00 0.00 175.35 174.79 2jox s ALA 94 N 1.41 0.02 -0.15 3.13 0.00 -0.18 -4.05 121.76 121.94 2jox s ALA 94 Ca 0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 2jox s ALA 94 Cb -0.15 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.32 2jox s ALA 94 CO -0.04 -0.38 0.38 -2.00 0.00 0.00 0.00 175.76 173.73 2jox s GLU 95 N -3.19 0.43 0.03 0.00 2.12 -1.26 -0.75 118.70 116.08 2jox s GLU 95 Ca -0.00 0.58 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 2jox s GLU 95 Cb 0.02 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2jox s GLU 95 CO -0.07 -0.08 0.03 0.34 -0.54 0.00 0.00 175.26 174.94 2jox s ASP 96 N 0.46 0.22 -0.02 -1.70 2.15 -0.02 -4.60 116.67 113.17 2jox s ASP 96 Ca -0.02 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.45 2jox s ASP 96 Cb -0.04 0.16 0.01 0.00 -0.30 0.00 0.00 42.92 42.75 2jox s ASP 96 CO -0.02 -0.40 -0.04 -0.89 -0.17 0.00 0.00 175.17 173.65 2jox s THR 97 N -2.06 0.38 -0.11 1.71 2.01 -1.26 -0.53 115.64 115.79 2jox s THR 97 Ca -0.10 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2jox s THR 97 Cb -0.05 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.08 2jox s THR 97 CO -0.03 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.23 2jox s ILE 98 N 0.48 1.82 0.05 1.82 1.01 0.34 -4.97 121.20 121.75 2jox s ILE 98 Ca -0.05 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 2jox s ILE 98 Cb -0.09 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 2jox s ILE 98 CO -0.00 0.51 0.82 -0.94 0.00 0.00 0.00 174.94 175.32 2jox s SER 99 N 0.69 7.27 0.33 3.58 1.04 -1.26 -0.04 113.70 125.31 2jox s SER 99 Ca -0.12 1.52 0.04 0.00 0.48 0.00 0.00 55.95 57.88 2jox s SER 99 Cb -0.16 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 2jox s SER 99 CO 0.02 -0.03 0.16 2.30 0.98 0.00 0.00 173.24 176.67 2jox n ILE 100 N 2.96 0.00 -4.20 -1.02 -6.64 0.28 -4.59 119.36 106.14 2jox n ILE 100 Ca -0.01 -2.07 -0.12 0.00 -1.77 0.00 0.00 62.75 58.79 2jox n ILE 100 Cb 0.50 0.83 -0.10 0.00 -1.44 0.00 0.00 39.64 39.43 2jox n ILE 100 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 2jox s LEU 101 N 0.00 2.02 0.48 7.28 1.43 -1.26 -4.72 118.68 123.91 2jox s LEU 101 Ca 0.23 -1.17 0.32 0.00 -1.03 0.00 0.00 54.13 52.48 2jox s LEU 101 Cb 0.01 0.08 1.75 0.00 0.03 0.00 0.00 46.19 48.07 2jox s LEU 101 CO 0.16 -0.62 1.99 1.55 0.23 0.00 0.00 176.35 179.66 2jox h PRO 102 N 2.78 0.00 0.00 1.29 0.13 -1.98 -0.89 132.00 133.33 2jox h PRO 102 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jox h PRO 102 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jox h PRO 102 CO 0.62 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.92 2jox n ASP 103 N -2.64 0.00 -3.73 1.44 2.03 -1.26 -4.96 116.55 107.42 2jox n ASP 103 Ca -0.02 -0.31 -0.26 0.00 0.52 0.00 0.00 54.79 54.72 2jox n ASP 103 Cb 0.06 -0.18 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 2jox n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jox n ASP 104 N -1.18 -2.94 0.19 1.67 2.03 -0.34 -4.95 116.55 111.04 2jox n ASP 104 Ca 0.13 -0.94 0.07 0.00 0.52 0.00 0.00 54.79 54.57 2jox n ASP 104 Cb 0.14 -3.59 0.26 0.00 -0.72 0.00 0.00 41.12 37.22 2jox n ASP 104 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jox h PRO 105 N -1.83 0.00 -5.77 -0.67 0.13 -1.93 -3.48 132.00 118.45 2jox h PRO 105 Ca -0.64 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.11 2jox h PRO 105 Cb 1.36 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 2jox h PRO 105 CO 0.54 0.31 -0.56 0.54 -0.23 0.00 0.00 178.00 178.60 2jox n ARG 106 N -3.30 -2.84 -0.07 0.86 1.74 -1.26 -5.12 116.66 106.67 2jox n ARG 106 Ca 0.01 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2jox n ARG 106 Cb 0.56 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 27.00 2jox n ARG 106 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15