#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 1.29 0.23 0.00 0.00 -1.26 -4.59 105.19 100.85 2jox n GLY 3 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 0.17 1.61 3.32 -1.95 -2.56 116.42 117.01 2jox h ASP 4 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 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 -0.09 0.00 -1.72 0.00 0.00 179.24 177.43 2jox s VAL 6 N -4.54 3.62 0.17 0.00 -7.23 -0.97 -0.77 120.40 110.68 2jox s VAL 6 Ca -0.04 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 2jox s VAL 6 Cb 0.15 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.66 2jox s VAL 6 CO 0.61 0.57 1.65 -0.08 -0.31 0.00 0.00 175.10 177.55 2jox h GLU 7 N 5.17 0.95 -4.79 4.82 4.81 -0.94 -3.44 114.58 121.15 2jox h GLU 7 Ca -0.48 -0.26 -0.40 0.00 -0.13 0.00 0.00 59.36 58.09 2jox h GLU 7 Cb 1.17 -0.11 -0.28 0.00 0.63 0.00 0.00 28.75 30.16 2jox h GLU 7 CO 0.52 0.91 -0.78 0.15 -0.73 0.00 0.00 179.01 179.09 2jox s LYS 8 N -5.18 0.75 -0.16 1.92 1.02 -1.26 -5.12 119.74 111.72 2jox s LYS 8 Ca -0.12 -0.39 -0.28 0.00 0.02 0.00 0.00 55.97 55.20 2jox s LYS 8 Cb 0.13 -0.72 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 2jox s LYS 8 CO 0.83 0.19 0.95 -1.21 -0.92 0.00 0.00 175.35 175.19 2jox s GLU 9 N -0.36 4.34 -1.15 1.68 2.02 -1.26 -4.27 118.70 119.70 2jox s GLU 9 Ca 0.03 1.24 -0.25 0.00 0.02 0.00 0.00 54.97 56.01 2jox s GLU 9 Cb -0.04 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.62 2jox s GLU 9 CO -0.00 -0.39 0.76 0.66 0.02 0.00 0.00 175.26 176.31 2jox n TYR 10 N 5.39 -1.76 -1.89 1.61 4.02 -0.91 -4.93 117.16 118.69 2jox n TYR 10 Ca 0.08 0.34 -0.38 0.00 -0.01 0.00 0.00 57.90 57.93 2jox n TYR 10 Cb 0.48 -3.22 0.03 0.00 -0.02 0.00 0.00 39.34 36.61 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 -6.40 3.24 0.37 -0.72 0.04 -1.26 -3.71 135.00 126.56 2jox s PRO 11 Ca 0.47 2.11 -0.25 0.00 0.04 0.00 0.00 61.00 63.38 2jox s PRO 11 Cb -0.20 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 2jox s PRO 11 CO 0.90 -1.07 0.99 -0.80 0.04 0.00 0.00 177.00 177.06 2jox s ASN 12 N -1.09 7.04 -0.21 6.66 0.02 -1.26 -0.88 114.94 125.23 2jox s ASN 12 Ca 0.71 1.91 0.12 0.00 -1.02 0.00 0.00 52.86 54.57 2jox s ASN 12 Cb -0.37 -2.58 0.41 0.00 0.02 0.00 0.00 41.25 38.73 2jox s ASN 12 CO 0.44 -0.28 1.24 0.54 0.02 0.00 0.00 177.10 179.05 2jox n ARG 13 N 0.15 1.59 -3.57 -0.60 5.12 -1.26 -4.92 116.66 113.16 2jox n ARG 13 Ca 0.04 -3.19 -0.22 0.00 -1.93 0.00 0.00 57.85 52.55 2jox n ARG 13 Cb 0.50 -1.62 0.08 0.00 -1.16 0.00 0.00 32.46 30.25 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 -1.16 -0.46 2.32 -0.13 0.00 -1.26 -2.47 105.19 102.04 2jox n GLY 14 Ca 0.20 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.05 -4.34 -4.63 1.61 4.13 -1.26 -5.02 115.26 102.70 2jox n ASN 15 Ca -0.11 0.19 -0.41 0.00 1.68 0.00 0.00 54.58 55.93 2jox n ASN 15 Cb 0.60 -3.17 -0.06 0.00 -1.54 0.00 0.00 39.78 35.61 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 -2.53 4.95 -0.25 3.41 2.01 -1.03 -4.44 115.64 117.76 2jox s THR 16 Ca 0.00 1.24 0.02 0.00 0.31 0.00 0.00 61.69 63.26 2jox s THR 16 Cb 0.00 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.59 2jox s THR 16 CO 0.00 0.01 -0.09 0.00 -0.69 0.00 0.00 174.62 173.85 2jox s LEU 18 N 1.20 2.29 0.00 0.00 1.02 -1.26 -4.98 118.68 116.94 2jox s LEU 18 Ca -0.08 -0.58 0.25 0.00 0.02 0.00 0.00 54.13 53.74 2jox s LEU 18 Cb -0.20 -1.33 0.48 0.00 0.02 0.00 0.00 46.19 45.17 2jox s LEU 18 CO -0.05 0.24 1.40 -1.84 0.02 0.00 0.00 176.35 176.12 2jox n GLU 19 N 1.58 1.08 -3.80 1.70 0.00 -1.26 -4.71 120.64 115.23 2jox n GLU 19 Ca -0.17 -0.75 -0.12 0.00 0.00 0.00 0.00 57.16 56.12 2jox n GLU 19 Cb 0.52 -1.48 -0.08 0.00 0.00 0.00 0.00 31.44 30.39 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 -2.44 -0.07 0.00 -1.84 0.01 -1.26 -5.04 114.94 104.29 2jox s ASN 20 Ca 0.23 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 2jox s ASN 20 Cb 0.19 0.31 0.00 0.00 0.41 0.00 0.00 41.25 42.16 2jox s ASN 20 CO 0.52 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 176.19 2jox n GLY 21 N 0.85 0.57 3.18 0.66 0.00 -1.26 -5.08 105.19 104.11 2jox n GLY 21 Ca -0.20 -2.32 -0.09 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.68 -0.09 -1.22 1.61 0.01 -1.26 -5.05 113.70 106.02 2jox s SER 22 Ca 0.00 0.83 -0.19 0.00 1.31 0.00 0.00 55.95 57.90 2jox s SER 22 Cb 0.00 1.21 -0.01 0.00 0.21 0.00 0.00 66.02 67.43 2jox s SER 22 CO 0.00 -0.24 1.90 0.33 0.41 0.00 0.00 173.24 175.64 2jox n PHE 23 N 5.38 3.55 0.10 2.43 7.35 -1.26 -4.83 117.46 130.18 2jox n PHE 23 Ca -0.07 -2.32 0.20 0.00 -0.76 0.00 0.00 57.45 54.50 2jox n PHE 23 Cb 0.50 -2.50 0.74 0.00 0.35 0.00 0.00 39.48 38.57 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 13.87 0.00 -0.54 -2.13 3.38 -1.96 -0.20 115.31 127.73 2jox h LEU 24 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2jox h LEU 24 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2jox h LEU 24 CO 1.52 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.98 2jox h LEU 25 N 0.00 0.00 0.00 1.67 3.38 -1.99 -3.27 115.31 115.11 2jox h LEU 25 Ca 0.19 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.87 2jox h LEU 25 Cb 1.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 2jox h LEU 25 CO -0.00 0.00 -2.10 -3.20 0.09 0.00 0.00 178.44 173.23 2jox n ASN 26 N -2.68 1.46 -4.58 -0.43 5.15 -0.17 -4.91 115.26 109.10 2jox n ASN 26 Ca 0.03 -0.03 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 2jox n ASN 26 Cb 0.38 0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 40.17 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 -2.39 1.52 -1.54 1.20 5.36 -0.67 -0.28 117.98 121.18 2jox s PHE 27 Ca -0.13 0.85 0.30 0.00 -0.96 0.00 0.00 56.93 57.00 2jox s PHE 27 Cb 0.05 -3.97 1.50 0.00 -0.34 0.00 0.00 43.02 40.26 2jox s PHE 27 CO 0.60 -2.85 2.03 0.25 -1.46 0.00 0.00 175.22 173.79 2jox n THR 28 N 7.53 0.00 0.00 0.12 -2.24 0.05 -4.89 114.28 114.86 2jox n THR 28 Ca 0.26 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2jox n THR 28 Cb 0.50 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.25 2.37 3.36 3.38 0.00 -1.23 -4.85 105.19 109.47 2jox n GLY 29 Ca 0.15 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 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 -4.16 1.51 0.05 0.00 0.00 -1.26 -3.26 120.51 113.39 2jox n ALA 31 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.38 2jox n ALA 31 Cb 0.58 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 1.38 0.00 0.00 2.07 -1.99 -3.40 116.25 114.32 2jox h VAL 32 Ca 0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.36 2jox h VAL 32 Cb 0.00 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2jox h VAL 32 CO 0.00 0.65 -0.20 0.00 0.02 0.00 0.00 177.57 178.04 2jox n SER 34 N -0.49 -2.16 -4.83 0.00 2.88 -1.20 -5.05 113.62 102.76 2jox n SER 34 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2jox n SER 34 Cb 0.00 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.93 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 -2.51 3.84 0.29 -1.46 -0.14 -1.26 -4.70 119.74 113.79 2jox s LYS 35 Ca 0.00 0.24 0.09 0.00 -1.36 0.00 0.00 55.97 54.94 2jox s LYS 35 Cb 0.00 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 2jox s LYS 35 CO 0.00 0.66 0.02 0.50 -0.76 0.00 0.00 175.35 175.77 2jox s ARG 36 N -0.87 2.28 -1.15 1.68 3.52 -1.26 -0.35 118.95 122.80 2jox s ARG 36 Ca 0.21 -1.49 0.00 0.00 -0.13 0.00 0.00 55.73 54.32 2jox s ARG 36 Cb -0.15 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 2jox s ARG 36 CO 0.10 0.29 0.00 -0.40 -0.81 0.00 0.00 175.30 174.47 2jox n ASP 37 N -0.95 -3.68 -3.94 -2.12 5.68 -1.26 -4.94 116.55 105.34 2jox n ASP 37 Ca -0.05 0.23 -0.31 0.00 -0.50 0.00 0.00 54.79 54.16 2jox n ASP 37 Cb 0.60 -3.24 -0.15 0.00 -1.14 0.00 0.00 41.12 37.19 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 -2.42 3.19 -0.07 2.11 0.40 -1.26 -5.05 117.98 114.89 2jox s PHE 38 Ca 0.00 -2.72 -0.31 0.00 -0.60 0.00 0.00 56.93 53.31 2jox s PHE 38 Cb 0.00 -2.61 0.08 0.00 0.51 0.00 0.00 43.02 41.00 2jox s PHE 38 CO 0.00 -0.91 0.72 0.00 0.70 0.00 0.00 175.22 175.73 2jox s MET 39 N 0.94 1.00 0.28 0.44 0.23 -1.26 -2.83 119.30 118.09 2jox s MET 39 Ca 0.11 0.26 0.05 0.00 -1.03 0.00 0.00 55.69 55.09 2jox s MET 39 Cb -0.19 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 33.52 2jox s MET 39 CO -0.11 -0.31 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.04 2jox s LEU 40 N -1.15 2.37 -0.04 0.18 2.01 0.36 -4.75 118.68 117.66 2jox s LEU 40 Ca -0.10 -1.23 0.04 0.00 0.01 0.00 0.00 54.13 52.85 2jox s LEU 40 Cb -0.00 -0.51 0.00 0.00 0.01 0.00 0.00 46.19 45.69 2jox s LEU 40 CO 0.09 -0.43 -0.15 -0.63 1.01 0.00 0.00 176.35 176.24 2jox s ILE 41 N -3.16 1.27 0.33 -0.59 1.01 -1.26 -0.91 121.20 117.90 2jox s ILE 41 Ca 0.30 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2jox s ILE 41 Cb 0.05 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2jox s ILE 41 CO 0.12 0.37 0.49 0.28 0.00 0.00 0.00 174.94 176.20 2jox s THR 42 N 0.18 0.00 -1.63 2.92 -1.32 -1.22 -4.95 115.64 109.62 2jox s THR 42 Ca -0.06 -1.54 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 2jox s THR 42 Cb -0.12 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.26 2jox s THR 42 CO 0.02 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.23 2jox n ASN 43 N -1.28 -5.03 -4.60 8.08 5.15 -1.26 -3.51 115.26 112.81 2jox n ASN 43 Ca -0.00 0.38 -0.45 0.00 -0.60 0.00 0.00 54.58 53.91 2jox n ASN 43 Cb 0.62 -4.20 -0.04 0.00 -0.53 0.00 0.00 39.78 35.63 2jox n ASN 43 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2jox n LYS 44 N -1.67 2.06 -4.13 1.20 4.81 -1.26 -4.73 118.16 114.43 2jox n LYS 44 Ca -0.15 0.65 -0.25 0.00 -0.87 0.00 0.00 58.31 57.69 2jox n LYS 44 Cb 0.59 -2.97 -0.06 0.00 0.02 0.00 0.00 35.03 32.61 2jox n LYS 44 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jox s SER 45 N 6.63 5.26 -0.00 3.14 0.01 0.36 -5.01 113.70 124.09 2jox s SER 45 Ca 0.98 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.99 2jox s SER 45 Cb -0.50 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.45 2jox s SER 45 CO 0.42 0.05 0.01 -0.22 0.41 0.00 0.00 173.24 173.90 2jox s LEU 46 N -3.23 1.79 0.04 2.44 0.20 -1.26 -1.55 118.68 117.11 2jox s LEU 46 Ca 0.30 0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.17 2jox s LEU 46 Cb -0.09 -0.02 -0.02 0.00 -0.43 0.00 0.00 46.19 45.63 2jox s LEU 46 CO 0.22 -0.03 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.38 2jox s LYS 47 N 0.24 0.77 -0.09 1.98 2.20 0.09 -5.00 119.74 119.94 2jox s LYS 47 Ca -0.02 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2jox s LYS 47 Cb -0.03 -0.73 0.04 0.00 -1.51 0.00 0.00 37.83 35.60 2jox s LYS 47 CO -0.01 0.17 0.06 -1.21 -0.36 0.00 0.00 175.35 174.01 2jox s GLU 48 N -1.21 0.07 -0.17 4.03 2.02 -1.26 -0.20 118.70 121.97 2jox s GLU 48 Ca -0.01 0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.16 2jox s GLU 48 Cb -0.08 -1.04 0.01 0.00 0.10 0.00 0.00 34.13 33.12 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 2.13 3.05 -0.57 1.61 2.02 -0.53 -4.90 118.70 121.51 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 0.00 175.26 171.60 2jox n ASP 50 N 4.48 -1.50 0.00 -0.19 2.03 -1.26 -0.47 116.55 119.65 2jox n ASP 50 Ca -0.20 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2jox n ASP 50 Cb 0.51 -1.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 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 -0.14 2.09 3.75 0.27 0.00 -1.26 -4.98 105.19 104.91 2jox n GLY 51 Ca -0.06 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 -0.03 4.58 -0.11 1.61 2.12 0.39 -4.50 118.70 122.75 2jox s GLU 52 Ca 0.00 1.81 0.03 0.00 0.36 0.00 0.00 54.97 57.16 2jox s GLU 52 Cb 0.00 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 2jox s GLU 52 CO 0.00 0.07 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.38 2jox s GLU 53 N -0.76 3.16 -0.03 4.30 2.02 0.83 -1.46 118.70 126.77 2jox s GLU 53 Ca 0.49 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.72 2jox s GLU 53 Cb -0.31 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.49 2jox s GLU 53 CO 0.38 0.19 -0.22 0.42 0.02 0.00 0.00 175.26 176.05 2jox s ILE 54 N 0.36 1.73 -0.11 -1.63 1.09 0.72 -0.25 121.20 123.10 2jox s ILE 54 Ca -0.16 -0.92 -0.01 0.00 -1.10 0.00 0.00 60.65 58.46 2jox s ILE 54 Cb -0.17 -1.45 0.03 0.00 -1.06 0.00 0.00 42.46 39.81 2jox s ILE 54 CO 0.08 0.49 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.69 2jox s VAL 55 N -0.37 0.72 -0.05 2.92 1.01 0.56 -0.73 120.40 124.45 2jox s VAL 55 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2jox s VAL 55 Cb -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2jox s VAL 55 CO 0.00 0.22 -0.22 0.42 0.00 0.00 0.00 175.10 175.52 2jox s THR 56 N 1.82 1.85 0.00 3.92 -4.23 -0.60 -0.74 115.64 117.66 2jox s THR 56 Ca 0.04 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2jox s THR 56 Cb -0.13 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2jox s THR 56 CO -0.07 0.52 0.00 0.00 -0.54 0.00 0.00 174.62 174.53 2jox n TYR 57 N 3.02 -0.59 -4.02 3.99 4.11 -0.26 -0.49 117.16 122.92 2jox n TYR 57 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.65 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 -0.68 0.36 -0.09 9.48 1.11 -1.23 -1.31 116.67 124.31 2jox s ASP 58 Ca 0.00 -0.82 -0.01 0.00 0.18 0.00 0.00 52.55 51.89 2jox s ASP 58 Cb 0.00 0.22 -0.03 0.00 1.07 0.00 0.00 42.92 44.18 2jox s ASP 58 CO 0.00 -0.58 -0.02 -1.00 1.18 0.00 0.00 175.17 174.75 2jox s HIS 59 N -3.48 3.08 -0.04 4.23 3.76 -0.03 -3.37 115.29 119.43 2jox s HIS 59 Ca 0.03 0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2jox s HIS 59 Cb 0.04 -1.78 0.01 0.00 1.11 0.00 0.00 32.58 31.97 2jox s HIS 59 CO -0.09 0.39 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.61 2jox s LEU 60 N -0.76 1.53 0.06 0.89 1.02 -0.09 -0.69 118.68 120.65 2jox s LEU 60 Ca 0.12 -0.17 -0.32 0.00 0.02 0.00 0.00 54.13 53.77 2jox s LEU 60 Cb -0.11 -0.54 -0.11 0.00 0.02 0.00 0.00 46.19 45.45 2jox s LEU 60 CO 0.02 -0.00 1.84 0.00 0.02 0.00 0.00 176.35 178.23 2jox n LYS 62 N 5.94 0.12 -0.03 0.00 3.00 -1.13 -0.45 118.16 125.61 2jox n LYS 62 Ca 0.19 0.55 -0.02 0.00 -0.00 0.00 0.00 58.31 59.03 2jox n LYS 62 Cb 0.35 -1.85 -0.01 0.00 0.00 0.00 0.00 35.03 33.52 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 -2.10 0.66 -0.31 3.14 5.15 -1.26 -4.73 115.26 115.81 2jox n ASN 63 Ca -0.00 0.25 0.12 0.00 -0.60 0.00 0.00 54.58 54.34 2jox n ASN 63 Cb 0.08 -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 -0.52 -0.48 -2.20 0.00 8.25 0.40 -4.95 115.22 115.72 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 -2.62 -0.00 0.00 1.12 0.00 0.00 29.99 28.88 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 -2.19 2.76 -0.58 4.41 5.65 -1.26 -4.60 115.29 119.48 2jox s HIS 66 Ca 0.00 1.52 -0.28 0.00 0.25 0.00 0.00 55.06 56.55 2jox s HIS 66 Cb 0.00 -3.41 0.01 0.00 -1.18 0.00 0.00 32.58 27.99 2jox s HIS 66 CO 0.00 -1.69 1.51 0.08 -0.65 0.00 0.00 174.74 173.99 2jox s VAL 67 N -1.56 3.67 0.15 0.89 1.01 -1.26 -1.45 120.40 121.85 2jox s VAL 67 Ca 0.66 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 63.02 2jox s VAL 67 Cb -0.29 -4.35 0.02 0.00 0.00 0.00 0.00 36.38 31.76 2jox s VAL 67 CO 0.35 -1.15 1.79 0.40 0.00 0.00 0.00 175.10 176.49 2jox h ILE 68 N 6.46 1.13 -2.65 2.22 2.04 -1.25 -3.36 117.51 122.10 2jox h ILE 68 Ca -0.27 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.38 2jox h ILE 68 Cb 1.11 0.56 -0.10 0.00 -0.74 0.00 0.00 36.82 37.64 2jox h ILE 68 CO 1.19 0.13 0.36 0.00 0.00 0.00 0.00 178.15 179.82 2jox s ALA 69 N -6.03 -1.59 -0.02 1.87 0.00 -1.22 -3.36 121.76 111.40 2jox s ALA 69 Ca -0.13 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2jox s ALA 69 Cb 0.11 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2jox s ALA 69 CO 0.73 -0.87 -0.10 1.03 0.00 0.00 0.00 175.76 176.55 2jox s ARG 70 N -3.51 2.53 -0.03 0.00 3.00 -1.26 -0.85 118.95 118.83 2jox s ARG 70 Ca 0.07 -0.70 0.06 0.00 0.00 0.00 0.00 55.73 55.16 2jox s ARG 70 Cb -0.02 -2.45 -0.01 0.00 0.00 0.00 0.00 34.95 32.46 2jox s ARG 70 CO -0.04 0.62 -0.21 -1.58 0.00 0.00 0.00 175.30 174.08 2jox s HIS 71 N -0.87 1.96 -0.02 -0.53 2.46 -0.43 -2.89 115.29 114.97 2jox s HIS 71 Ca 0.14 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 55.24 2jox s HIS 71 Cb -0.11 -1.27 0.02 0.00 -0.13 0.00 0.00 32.58 31.09 2jox s HIS 71 CO 0.04 -0.08 0.01 -2.00 -2.47 0.00 0.00 174.74 170.24 2jox s GLU 72 N -0.36 0.13 -0.08 2.88 2.12 -0.06 -1.10 118.70 122.24 2jox s GLU 72 Ca 0.04 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2jox s GLU 72 Cb -0.10 -0.33 0.02 0.00 0.26 0.00 0.00 34.13 33.98 2jox s GLU 72 CO 0.00 -0.12 -0.09 -0.47 -0.54 0.00 0.00 175.26 174.04 2jox s TYR 73 N 0.88 1.29 -0.03 5.30 5.04 0.08 -0.36 117.35 129.54 2jox s TYR 73 Ca -0.08 -0.51 0.03 0.00 -2.44 0.00 0.00 57.07 54.07 2jox s TYR 73 Cb -0.11 -1.03 -0.00 0.00 0.35 0.00 0.00 41.96 41.17 2jox s TYR 73 CO -0.02 -0.33 -0.13 0.95 -1.34 0.00 0.00 175.55 174.68 2jox s THR 74 N 1.07 1.10 -0.08 4.34 -4.23 0.25 -0.33 115.64 117.77 2jox s THR 74 Ca -0.07 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2jox s THR 74 Cb -0.14 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.76 2jox s THR 74 CO -0.01 0.33 -0.10 0.12 -0.54 0.00 0.00 174.62 174.42 2jox s PHE 75 N 0.09 1.45 0.02 3.99 5.36 0.65 -0.74 117.98 128.81 2jox s PHE 75 Ca -0.03 -0.61 0.06 0.00 -0.96 0.00 0.00 56.93 55.39 2jox s PHE 75 Cb -0.10 -1.12 -0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2jox s PHE 75 CO 0.01 -0.36 -0.17 -1.12 -1.46 0.00 0.00 175.22 172.12 2jox s SER 76 N 1.05 2.00 -0.21 6.13 0.01 0.23 -0.12 113.70 122.79 2jox s SER 76 Ca -0.07 -0.40 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2jox s SER 76 Cb -0.15 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2jox s SER 76 CO -0.01 0.14 -0.02 -0.63 0.41 0.00 0.00 173.24 173.14 2jox s ILE 77 N -0.62 3.65 -0.22 1.44 1.01 -1.26 0.22 121.20 125.42 2jox s ILE 77 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2jox s ILE 77 Cb -0.07 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.77 2jox s ILE 77 CO 0.01 0.42 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 2jox s MET 78 N 1.30 2.70 0.00 2.79 0.23 -0.53 -4.90 119.30 120.88 2jox s MET 78 Ca 0.04 -1.04 0.00 0.00 -1.03 0.00 0.00 55.69 53.66 2jox s MET 78 Cb -0.14 -2.74 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 2jox s MET 78 CO -0.00 -0.36 0.00 -0.25 -2.03 0.00 0.00 175.02 172.37 2jox n ASP 79 N 4.56 0.00 0.00 -1.18 8.00 -1.26 -0.65 116.55 126.02 2jox n ASP 79 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2jox n ASP 79 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 2jox n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jox n GLU 80 N 0.00 0.93 -4.37 -1.24 -0.58 -1.26 -5.10 120.64 109.01 2jox n GLU 80 Ca 0.00 -0.78 -0.19 0.00 -0.42 0.00 0.00 57.16 55.77 2jox n GLU 80 Cb 0.00 -0.71 -0.10 0.00 -0.57 0.00 0.00 31.44 30.06 2jox n GLU 80 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2jox s PHE 81 N -0.33 1.71 0.03 -0.32 0.08 0.18 -0.56 117.98 118.76 2jox s PHE 81 Ca 0.00 -1.10 0.08 0.00 0.12 0.00 0.00 56.93 56.02 2jox s PHE 81 Cb 0.00 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2jox s PHE 81 CO 0.00 -0.21 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.04 2jox s GLN 82 N -3.96 1.58 -0.09 0.44 -0.21 0.89 -1.46 119.66 116.84 2jox s GLN 82 Ca 0.37 -0.94 0.04 0.00 0.02 0.00 0.00 55.36 54.84 2jox s GLN 82 Cb 0.08 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.43 2jox s GLN 82 CO 0.15 0.43 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.33 2jox s GLU 83 N -1.04 2.74 -0.09 2.91 2.02 0.13 -0.56 118.70 124.82 2jox s GLU 83 Ca 0.09 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.34 2jox s GLU 83 Cb -0.09 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2jox s GLU 83 CO 0.01 0.14 -0.22 0.71 0.02 0.00 0.00 175.26 175.93 2jox s TYR 84 N 0.42 2.36 0.01 1.61 1.51 0.27 -0.60 117.35 122.93 2jox s TYR 84 Ca -0.18 -0.96 0.00 0.00 -1.01 0.00 0.00 57.07 54.92 2jox s TYR 84 Cb -0.17 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 2jox s TYR 84 CO 0.08 -0.39 -0.01 0.95 -1.11 0.00 0.00 175.55 175.06 2jox s THR 85 N 0.39 0.04 0.01 -0.71 -4.23 0.08 -0.85 115.64 110.37 2jox s THR 85 Ca -0.18 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2jox s THR 85 Cb -0.18 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.57 2jox s THR 85 CO 0.08 -0.15 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.66 2jox s MET 86 N -0.44 0.24 -0.26 3.99 0.00 0.14 -0.58 119.30 122.38 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 -0.07 0.14 0.00 0.00 0.00 0.00 34.83 34.87 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 -0.66 -0.03 4.11 2.96 0.52 -1.16 118.68 123.71 2jox s LEU 87 Ca -0.06 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2jox s LEU 87 Cb -0.05 1.07 0.02 0.00 0.50 0.00 0.00 46.19 47.73 2jox s LEU 87 CO -0.00 -0.32 0.08 0.00 -1.32 0.00 0.00 176.35 174.78 2jox h LEU 89 N 6.49 0.46 0.00 0.00 5.85 -1.83 -1.65 115.31 124.63 2jox h LEU 89 Ca -0.32 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jox h LEU 89 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2jox h LEU 89 CO 0.46 0.33 -0.51 -0.11 -0.34 0.00 0.00 178.44 178.27 2jox n LEU 90 N -4.48 1.24 -0.18 2.25 7.94 -1.26 -2.15 117.00 120.36 2jox n LEU 90 Ca 0.03 0.35 -0.05 0.00 -1.11 0.00 0.00 56.01 55.23 2jox n LEU 90 Cb 0.06 -0.70 0.12 0.00 0.53 0.00 0.00 43.42 43.43 2jox n LEU 90 CO 0.35 -0.41 0.93 0.00 -1.11 0.00 0.00 177.39 177.15 2jox n GLY 92 N -0.69 1.89 3.25 0.00 0.00 -0.62 -4.76 105.19 104.26 2jox n GLY 92 Ca 0.04 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.49 3.11 0.05 1.61 2.20 -0.06 -0.83 119.74 124.34 2jox s LYS 93 Ca 0.00 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 2jox s LYS 93 Cb 0.00 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 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 1.40 0.02 -0.14 3.13 0.00 -0.31 -4.04 121.76 121.82 2jox s ALA 94 Ca 0.03 -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 -0.37 0.37 -2.00 0.00 0.00 0.00 175.76 173.71 2jox s GLU 95 N -3.19 0.41 0.03 0.00 2.12 -1.26 -0.69 118.70 116.12 2jox s GLU 95 Ca -0.00 0.56 -0.03 0.00 0.36 0.00 0.00 54.97 55.86 2jox s GLU 95 Cb 0.02 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.55 2jox s GLU 95 CO -0.07 -0.08 0.03 0.34 -0.54 0.00 0.00 175.26 174.95 2jox s ASP 96 N 0.46 0.21 -0.02 -1.70 2.15 -0.03 -4.63 116.67 113.11 2jox s ASP 96 Ca -0.02 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.46 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 0.00 175.17 173.64 2jox s THR 97 N -2.04 0.42 -0.13 1.71 2.01 -1.26 -0.57 115.64 115.78 2jox s THR 97 Ca -0.10 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2jox s THR 97 Cb -0.05 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.07 2jox s THR 97 CO -0.03 0.15 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.24 2jox s ILE 98 N 0.32 1.83 -0.02 1.82 1.01 0.28 -4.96 121.20 121.48 2jox s ILE 98 Ca -0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 2jox s ILE 98 Cb -0.07 -1.64 -0.04 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 0.91 7.18 0.33 3.58 1.04 -1.26 -0.07 113.70 125.41 2jox s SER 99 Ca -0.06 1.42 0.03 0.00 0.48 0.00 0.00 55.95 57.82 2jox s SER 99 Cb -0.15 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2jox s SER 99 CO -0.02 -0.14 0.13 0.27 0.98 0.00 0.00 173.24 174.46 2jox s ILE 100 N 0.71 0.55 0.19 -1.02 -5.25 0.27 -4.90 121.20 111.75 2jox s ILE 100 Ca 0.43 -2.00 0.06 0.00 -0.99 0.00 0.00 60.65 58.15 2jox s ILE 100 Cb -0.19 -2.52 -0.05 0.00 2.95 0.00 0.00 42.46 42.65 2jox s ILE 100 CO 0.23 0.00 -0.10 -0.76 -1.79 0.00 0.00 174.94 172.52 2jox s LEU 101 N -3.45 2.49 0.58 0.37 2.01 -1.26 -4.69 118.68 114.72 2jox s LEU 101 Ca 0.33 -1.06 0.39 0.00 0.01 0.00 0.00 54.13 53.80 2jox s LEU 101 Cb 0.05 -0.46 2.07 0.00 0.01 0.00 0.00 46.19 47.86 2jox s LEU 101 CO 0.16 -0.30 2.18 1.55 1.01 0.00 0.00 176.35 180.95 2jox h PRO 102 N 2.63 0.00 0.00 1.29 0.13 -1.99 -1.15 132.00 132.91 2jox h PRO 102 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jox h PRO 102 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jox h PRO 102 CO 0.63 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.93 2jox n ASP 103 N -2.89 0.00 -3.12 1.44 2.03 -1.26 -4.99 116.55 107.76 2jox n ASP 103 Ca -0.02 -0.12 -0.18 0.00 0.52 0.00 0.00 54.79 54.99 2jox n ASP 103 Cb 0.08 -0.27 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.27 -7.03 0.05 1.67 2.03 -0.43 -4.94 116.55 106.62 2jox n ASP 104 Ca 0.13 0.19 0.10 0.00 0.52 0.00 0.00 54.79 55.73 2jox n ASP 104 Cb 0.20 -4.04 0.43 0.00 -0.72 0.00 0.00 41.12 36.98 2jox n ASP 104 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jox n PRO 105 N -0.52 0.08 -3.83 -0.67 -0.04 -1.26 -4.97 135.00 123.80 2jox n PRO 105 Ca 0.02 0.25 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 2jox n PRO 105 Cb 0.55 -1.63 0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2jox n PRO 105 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jox n ARG 106 N -1.78 -0.96 0.00 0.54 5.12 -1.26 -5.14 116.66 113.17 2jox n ARG 106 Ca 0.04 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.45 2jox n ARG 106 Cb 0.25 -2.95 0.00 0.00 -1.16 0.00 0.00 32.46 28.60 2jox n ARG 106 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74