#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 1.33 0.23 0.00 0.00 -1.26 -4.59 105.19 100.89 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 0.09 1.61 3.32 -1.95 -2.59 116.42 116.90 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 -4.73 3.63 0.16 0.00 -7.23 -0.98 -0.75 120.40 110.50 2jox s VAL 6 Ca -0.04 -0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 59.48 2jox s VAL 6 Cb 0.16 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2jox s VAL 6 CO 0.63 0.59 1.65 -0.08 -0.31 0.00 0.00 175.10 177.57 2jox h GLU 7 N 5.22 0.88 -4.95 4.82 4.57 -1.13 -3.44 114.58 120.54 2jox h GLU 7 Ca -0.48 -0.23 -0.41 0.00 -1.18 0.00 0.00 59.36 57.05 2jox h GLU 7 Cb 1.17 -0.10 -0.27 0.00 -0.16 0.00 0.00 28.75 29.38 2jox h GLU 7 CO 0.52 0.86 -0.79 0.15 -1.18 0.00 0.00 179.01 178.57 2jox s LYS 8 N -5.20 0.84 -0.13 1.92 1.02 -1.26 -5.13 119.74 111.79 2jox s LYS 8 Ca -0.13 -0.48 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 2jox s LYS 8 Cb 0.12 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.62 2jox s LYS 8 CO 0.81 0.21 0.97 -1.21 -0.92 0.00 0.00 175.35 175.21 2jox s GLU 9 N -0.54 4.38 -1.16 1.68 2.02 -1.26 -4.25 118.70 119.56 2jox s GLU 9 Ca 0.02 1.30 -0.26 0.00 0.02 0.00 0.00 54.97 56.06 2jox s GLU 9 Cb -0.05 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.63 2jox s GLU 9 CO 0.00 -0.34 0.76 0.66 0.02 0.00 0.00 175.26 176.36 2jox n TYR 10 N 5.15 -1.73 -1.90 1.61 4.02 -0.89 -4.92 117.16 118.50 2jox n TYR 10 Ca 0.08 0.31 -0.39 0.00 -0.01 0.00 0.00 57.90 57.90 2jox n TYR 10 Cb 0.49 -3.21 0.02 0.00 -0.02 0.00 0.00 39.34 36.62 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 -6.48 3.45 0.35 -0.72 0.04 -1.26 -3.67 135.00 126.71 2jox s PRO 11 Ca 0.49 2.18 -0.25 0.00 0.04 0.00 0.00 61.00 63.45 2jox s PRO 11 Cb -0.21 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 2jox s PRO 11 CO 0.90 -0.93 1.01 -0.80 0.04 0.00 0.00 177.00 177.22 2jox s ASN 12 N -0.92 7.07 -0.24 6.66 0.02 -1.26 -0.90 114.94 125.37 2jox s ASN 12 Ca 0.66 1.97 0.11 0.00 -1.02 0.00 0.00 52.86 54.58 2jox s ASN 12 Cb -0.39 -2.59 0.46 0.00 0.02 0.00 0.00 41.25 38.76 2jox s ASN 12 CO 0.47 -0.26 1.34 0.54 0.02 0.00 0.00 177.10 179.21 2jox n ARG 13 N 0.34 1.75 -1.06 -0.60 5.12 -1.26 -4.93 116.66 116.02 2jox n ARG 13 Ca 0.03 -3.19 -0.04 0.00 -1.93 0.00 0.00 57.85 52.72 2jox n ARG 13 Cb 0.49 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 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 -1.12 0.40 0.00 -0.13 0.00 -1.26 -1.84 105.19 101.24 2jox n GLY 14 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2jox n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jox n ASN 15 N -0.81 0.00 -4.65 1.61 6.94 -1.26 -5.04 115.26 112.05 2jox n ASN 15 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.09 2jox n ASN 15 Cb 0.50 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.89 2jox n ASN 15 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2jox s THR 16 N -1.88 3.41 -0.25 5.53 2.01 -0.77 -4.30 115.64 119.40 2jox s THR 16 Ca 0.00 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.50 2jox s THR 16 Cb 0.00 -3.36 0.06 0.00 0.01 0.00 0.00 72.50 69.21 2jox s THR 16 CO 0.00 -0.10 -0.07 0.00 -0.69 0.00 0.00 174.62 173.76 2jox s LEU 18 N 1.26 2.30 0.00 0.00 1.02 -1.26 -4.98 118.68 117.02 2jox s LEU 18 Ca -0.07 -0.72 0.22 0.00 0.02 0.00 0.00 54.13 53.59 2jox s LEU 18 Cb -0.19 -1.13 0.26 0.00 0.02 0.00 0.00 46.19 45.14 2jox s LEU 18 CO -0.06 0.15 1.26 -1.84 0.02 0.00 0.00 176.35 175.89 2jox n GLU 19 N 1.03 2.21 -4.03 1.70 0.00 -1.26 -4.70 120.64 115.58 2jox n GLU 19 Ca -0.18 -1.97 -0.08 0.00 0.00 0.00 0.00 57.16 54.93 2jox n GLU 19 Cb 0.53 -1.45 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 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 -1.68 0.39 0.00 -1.84 0.01 -1.26 -5.07 114.94 105.49 2jox s ASN 20 Ca 0.30 -0.88 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 2jox s ASN 20 Cb 0.20 0.22 0.00 0.00 0.41 0.00 0.00 41.25 42.07 2jox s ASN 20 CO 0.28 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 175.89 2jox n GLY 21 N 0.23 -2.98 2.98 0.66 0.00 -1.26 -5.02 105.19 99.80 2jox n GLY 21 Ca -0.15 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.97 0.28 -1.19 1.61 0.01 -1.26 -5.05 113.70 106.13 2jox s SER 22 Ca 0.00 0.52 -0.20 0.00 1.31 0.00 0.00 55.95 57.58 2jox s SER 22 Cb 0.00 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 2jox s SER 22 CO 0.00 -0.22 1.92 0.33 0.41 0.00 0.00 173.24 175.68 2jox n PHE 23 N 5.07 3.34 -0.12 2.43 7.35 -1.26 -4.83 117.46 129.43 2jox n PHE 23 Ca -0.11 -2.23 0.26 0.00 -0.76 0.00 0.00 57.45 54.62 2jox n PHE 23 Cb 0.50 -2.45 0.72 0.00 0.35 0.00 0.00 39.48 38.60 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 14.05 0.00 -1.46 -2.13 3.38 -1.96 -0.10 115.31 127.08 2jox h LEU 24 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 2jox h LEU 24 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2jox h LEU 24 CO 1.55 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 180.00 2jox h LEU 25 N 0.00 0.00 0.00 1.67 3.38 -1.99 -3.15 115.31 115.22 2jox h LEU 25 Ca 0.37 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.00 2jox h LEU 25 Cb 1.53 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 2jox h LEU 25 CO -0.00 0.01 -2.29 -3.20 0.09 0.00 0.00 178.44 173.05 2jox n ASN 26 N -3.11 0.81 -4.60 -0.43 5.15 -0.15 -4.88 115.26 108.05 2jox n ASN 26 Ca 0.01 -0.03 -0.43 0.00 -0.60 0.00 0.00 54.58 53.53 2jox n ASN 26 Cb 0.31 0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 40.19 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 -2.46 1.66 -2.26 1.20 5.36 -0.62 -0.58 117.98 120.28 2jox s PHE 27 Ca -0.14 0.61 0.21 0.00 -0.96 0.00 0.00 56.93 56.65 2jox s PHE 27 Cb 0.06 -4.08 0.77 0.00 -0.34 0.00 0.00 43.02 39.43 2jox s PHE 27 CO 0.71 -3.20 1.56 0.25 -1.46 0.00 0.00 175.22 173.08 2jox n THR 28 N 7.50 0.20 0.00 0.12 -2.24 0.07 -4.87 114.28 115.06 2jox n THR 28 Ca 0.25 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jox n THR 28 Cb 0.46 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.11 0.97 3.34 3.38 0.00 -1.23 -4.89 105.19 107.87 2jox n GLY 29 Ca 0.16 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.39 1.44 0.05 0.00 0.00 -1.26 -3.35 120.51 113.00 2jox n ALA 31 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 2jox n ALA 31 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.29 2jox h VAL 32 Cb 0.00 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2jox h VAL 32 CO 0.00 0.67 -0.19 0.00 0.02 0.00 0.00 177.57 178.07 2jox n SER 34 N -0.50 -2.99 -4.83 0.00 2.88 -1.21 -5.04 113.62 101.94 2jox n SER 34 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2jox n SER 34 Cb 0.00 -0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 62.90 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 -1.54 4.14 0.29 -1.46 -0.14 -1.26 -4.64 119.74 115.12 2jox s LYS 35 Ca 0.00 0.70 0.11 0.00 -1.36 0.00 0.00 55.97 55.42 2jox s LYS 35 Cb 0.00 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 33.15 2jox s LYS 35 CO 0.00 0.46 -0.14 0.50 -0.76 0.00 0.00 175.35 175.41 2jox s ARG 36 N -1.86 1.84 -1.20 1.68 3.52 -1.26 -0.38 118.95 121.30 2jox s ARG 36 Ca 0.39 -1.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.28 2jox s ARG 36 Cb -0.16 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.37 2jox s ARG 36 CO 0.20 0.31 0.00 -0.40 -0.81 0.00 0.00 175.30 174.60 2jox n ASP 37 N -0.71 -3.82 -3.97 -2.12 5.68 -1.26 -4.94 116.55 105.40 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 -3.35 -0.15 0.00 -1.14 0.00 0.00 41.12 37.09 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 -2.45 3.40 -0.03 2.11 0.40 -1.26 -5.05 117.98 115.10 2jox s PHE 38 Ca 0.00 -2.85 -0.30 0.00 -0.60 0.00 0.00 56.93 53.18 2jox s PHE 38 Cb 0.00 -2.74 0.07 0.00 0.51 0.00 0.00 43.02 40.86 2jox s PHE 38 CO 0.00 -0.91 0.66 0.00 0.70 0.00 0.00 175.22 175.67 2jox s MET 39 N 0.85 1.07 0.28 0.44 0.23 -1.26 -2.63 119.30 118.28 2jox s MET 39 Ca 0.12 0.18 0.05 0.00 -1.03 0.00 0.00 55.69 55.01 2jox s MET 39 Cb -0.20 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 33.55 2jox s MET 39 CO -0.09 -0.35 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.02 2jox s LEU 40 N -1.34 2.36 -0.04 0.18 2.01 0.38 -4.74 118.68 117.49 2jox s LEU 40 Ca -0.10 -1.23 0.03 0.00 0.01 0.00 0.00 54.13 52.84 2jox s LEU 40 Cb -0.00 -0.50 0.00 0.00 0.01 0.00 0.00 46.19 45.70 2jox s LEU 40 CO 0.08 -0.44 -0.14 -0.63 1.01 0.00 0.00 176.35 176.24 2jox s ILE 41 N -3.16 1.16 0.26 -0.59 1.01 -1.26 -0.87 121.20 117.74 2jox s ILE 41 Ca 0.30 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 2jox s ILE 41 Cb 0.05 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 2jox s ILE 41 CO 0.12 0.35 0.38 0.28 0.00 0.00 0.00 174.94 176.06 2jox s THR 42 N 0.17 0.00 -0.92 2.92 -1.32 -1.19 -4.94 115.64 110.37 2jox s THR 42 Ca -0.05 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 2jox s THR 42 Cb -0.11 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 2jox s THR 42 CO 0.02 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.97 2jox n ASN 43 N -0.65 -5.38 -4.51 8.08 2.04 -1.26 -3.50 115.26 110.09 2jox n ASN 43 Ca 0.00 0.21 -0.51 0.00 -0.44 0.00 0.00 54.58 53.85 2jox n ASN 43 Cb 0.63 -3.85 -0.07 0.00 -2.53 0.00 0.00 39.78 33.96 2jox n ASN 43 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2jox n LYS 44 N -0.50 1.26 -4.13 -3.83 4.81 -1.26 -4.79 118.16 109.72 2jox n LYS 44 Ca -0.09 0.37 -0.25 0.00 -0.87 0.00 0.00 58.31 57.47 2jox n LYS 44 Cb 0.54 -2.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.04 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 6.67 5.27 -0.01 3.14 0.01 0.23 -5.00 113.70 124.02 2jox s SER 45 Ca 1.06 -0.25 -0.00 0.00 1.31 0.00 0.00 55.95 58.07 2jox s SER 45 Cb -0.83 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.12 2jox s SER 45 CO 0.50 0.05 0.01 -0.22 0.41 0.00 0.00 173.24 173.99 2jox s LEU 46 N -3.23 1.78 0.04 2.44 0.20 -1.26 -1.50 118.68 117.15 2jox s LEU 46 Ca 0.30 0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.19 2jox s LEU 46 Cb -0.09 0.01 -0.02 0.00 -0.43 0.00 0.00 46.19 45.65 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 0.79 -0.10 1.98 2.20 0.01 -5.00 119.74 119.87 2jox s LYS 47 Ca -0.02 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 54.83 2jox s LYS 47 Cb -0.03 -0.75 0.04 0.00 -1.51 0.00 0.00 37.83 35.58 2jox s LYS 47 CO -0.01 0.18 0.05 -1.21 -0.36 0.00 0.00 175.35 174.01 2jox s GLU 48 N -1.22 0.18 -0.17 4.03 2.02 -1.26 -0.24 118.70 122.03 2jox s GLU 48 Ca -0.01 0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.10 2jox s GLU 48 Cb -0.08 -1.13 0.01 0.00 0.10 0.00 0.00 34.13 33.03 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 2.09 3.05 -0.61 1.61 2.02 -0.41 -4.90 118.70 121.55 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 -0.06 -0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.60 2jox n ASP 50 N 4.49 -1.62 0.00 -0.19 2.03 -1.26 -0.51 116.55 119.48 2jox n ASP 50 Ca -0.20 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2jox n ASP 50 Cb 0.51 -1.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 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 -0.16 2.12 3.74 0.27 0.00 -1.26 -4.98 105.19 104.93 2jox n GLY 51 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.06 4.60 -0.11 1.61 2.12 0.33 -4.45 118.70 122.75 2jox s GLU 52 Ca 0.00 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.11 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 0.11 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.41 2jox s GLU 53 N -0.66 3.16 -0.02 4.30 2.02 0.82 -1.28 118.70 127.04 2jox s GLU 53 Ca 0.48 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.72 2jox s GLU 53 Cb -0.30 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 2jox s GLU 53 CO 0.37 0.18 -0.21 0.42 0.02 0.00 0.00 175.26 176.04 2jox s ILE 54 N 0.36 1.64 -0.11 -1.63 1.09 0.67 -0.26 121.20 122.96 2jox s ILE 54 Ca -0.16 -0.88 -0.01 0.00 -1.10 0.00 0.00 60.65 58.50 2jox s ILE 54 Cb -0.17 -1.37 0.03 0.00 -1.06 0.00 0.00 42.46 39.89 2jox s ILE 54 CO 0.08 0.46 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.66 2jox s VAL 55 N -0.42 0.71 -0.05 2.92 1.01 0.64 -0.81 120.40 124.40 2jox s VAL 55 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2jox s VAL 55 Cb -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 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 1.84 0.03 3.92 -4.23 -0.56 -0.73 115.64 117.72 2jox s THR 56 Ca 0.04 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 2jox s THR 56 Cb -0.13 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2jox s THR 56 CO -0.07 0.52 0.05 0.00 -0.54 0.00 0.00 174.62 174.58 2jox n TYR 57 N 3.04 -0.77 -4.02 3.99 4.11 -0.22 -0.60 117.16 122.69 2jox n TYR 57 Ca -0.18 -0.18 -0.08 0.00 -0.00 0.00 0.00 57.90 57.47 2jox n TYR 57 Cb 0.52 0.06 -0.10 0.00 -0.00 0.00 0.00 39.34 39.83 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 -1.18 0.36 -0.03 9.48 1.11 -1.23 -1.02 116.67 124.16 2jox s ASP 58 Ca 0.02 -0.82 0.03 0.00 0.18 0.00 0.00 52.55 51.96 2jox s ASP 58 Cb -0.00 0.22 -0.03 0.00 1.07 0.00 0.00 42.92 44.17 2jox s ASP 58 CO 0.01 -0.57 -0.11 -1.00 1.18 0.00 0.00 175.17 174.68 2jox s HIS 59 N -3.45 2.78 -0.03 4.23 3.76 -0.07 -3.15 115.29 119.36 2jox s HIS 59 Ca 0.02 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 2jox s HIS 59 Cb 0.04 -1.63 0.01 0.00 1.11 0.00 0.00 32.58 32.11 2jox s HIS 59 CO -0.08 0.27 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.48 2jox s LEU 60 N -0.95 1.71 0.08 0.89 1.02 -0.05 -0.65 118.68 120.72 2jox s LEU 60 Ca 0.13 -0.18 -0.31 0.00 0.02 0.00 0.00 54.13 53.79 2jox s LEU 60 Cb -0.11 -0.54 -0.10 0.00 0.02 0.00 0.00 46.19 45.46 2jox s LEU 60 CO 0.03 0.04 1.91 0.00 0.02 0.00 0.00 176.35 178.35 2jox n LYS 62 N 6.59 0.10 -0.03 0.00 3.00 -1.08 -0.45 118.16 126.29 2jox n LYS 62 Ca 0.19 0.54 -0.03 0.00 -0.00 0.00 0.00 58.31 59.02 2jox n LYS 62 Cb 0.39 -1.80 -0.01 0.00 0.00 0.00 0.00 35.03 33.61 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 -2.02 0.79 -0.36 3.14 5.15 -1.26 -4.72 115.26 115.98 2jox n ASN 63 Ca -0.00 0.26 0.12 0.00 -0.60 0.00 0.00 54.58 54.36 2jox n ASN 63 Cb 0.07 -0.63 0.16 0.00 -0.53 0.00 0.00 39.78 38.85 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 -0.39 -0.39 -2.18 0.00 8.25 0.41 -4.95 115.22 115.97 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 0.41 -2.69 -0.00 0.00 1.12 0.00 0.00 29.99 28.83 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 -2.22 2.77 -0.56 4.41 5.65 -1.26 -4.60 115.29 119.48 2jox s HIS 66 Ca 0.00 1.51 -0.28 0.00 0.25 0.00 0.00 55.06 56.55 2jox s HIS 66 Cb 0.00 -3.44 0.01 0.00 -1.18 0.00 0.00 32.58 27.98 2jox s HIS 66 CO 0.00 -1.72 1.45 0.08 -0.65 0.00 0.00 174.74 173.90 2jox s VAL 67 N -1.52 3.75 0.13 0.89 1.01 -1.26 -1.43 120.40 121.97 2jox s VAL 67 Ca 0.65 0.64 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 2jox s VAL 67 Cb -0.30 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 2jox s VAL 67 CO 0.36 -1.15 1.73 0.40 0.00 0.00 0.00 175.10 176.44 2jox h ILE 68 N 6.41 1.14 -2.72 2.22 2.04 -1.23 -3.36 117.51 122.01 2jox h ILE 68 Ca -0.27 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2jox h ILE 68 Cb 1.10 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 2jox h ILE 68 CO 1.18 0.14 0.34 0.00 0.00 0.00 0.00 178.15 179.81 2jox s ALA 69 N -5.83 -1.45 -0.03 1.87 0.00 -1.23 -3.45 121.76 111.64 2jox s ALA 69 Ca -0.13 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2jox s ALA 69 Cb 0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 2jox s ALA 69 CO 0.73 -1.00 -0.20 1.03 0.00 0.00 0.00 175.76 176.31 2jox s ARG 70 N -3.63 2.30 -0.02 0.00 3.00 -1.26 -0.89 118.95 118.45 2jox s ARG 70 Ca 0.10 -0.81 0.06 0.00 0.00 0.00 0.00 55.73 55.08 2jox s ARG 70 Cb -0.04 -2.21 -0.02 0.00 0.00 0.00 0.00 34.95 32.69 2jox s ARG 70 CO 0.03 0.59 -0.22 -1.58 0.00 0.00 0.00 175.30 174.12 2jox s HIS 71 N -0.68 1.99 -0.02 -0.53 2.46 -0.19 -2.77 115.29 115.56 2jox s HIS 71 Ca 0.11 -0.42 -0.00 0.00 0.47 0.00 0.00 55.06 55.22 2jox s HIS 71 Cb -0.10 -1.29 0.03 0.00 -0.13 0.00 0.00 32.58 31.08 2jox s HIS 71 CO -0.00 -0.06 0.03 -2.00 -2.47 0.00 0.00 174.74 170.24 2jox s GLU 72 N -0.43 -0.03 -0.08 2.88 2.12 0.00 -1.06 118.70 122.11 2jox s GLU 72 Ca 0.06 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.58 2jox s GLU 72 Cb -0.09 -0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.10 2jox s GLU 72 CO -0.00 -0.15 -0.09 -0.47 -0.54 0.00 0.00 175.26 174.01 2jox s TYR 73 N 0.95 1.30 -0.03 5.30 5.04 0.09 -0.32 117.35 129.67 2jox s TYR 73 Ca -0.08 -0.52 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 -0.03 -0.33 -0.13 0.95 -1.34 0.00 0.00 175.55 174.67 2jox s THR 74 N 1.07 1.11 -0.08 4.34 -4.23 0.27 -0.26 115.64 117.85 2jox s THR 74 Ca -0.08 -0.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 2jox s THR 74 Cb -0.14 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.74 2jox s THR 74 CO -0.01 0.33 -0.12 0.12 -0.54 0.00 0.00 174.62 174.41 2jox s PHE 75 N 0.08 1.52 0.02 3.99 5.36 0.65 -0.63 117.98 128.97 2jox s PHE 75 Ca -0.03 -0.63 0.05 0.00 -0.96 0.00 0.00 56.93 55.37 2jox s PHE 75 Cb -0.10 -1.14 -0.02 0.00 -0.34 0.00 0.00 43.02 41.42 2jox s PHE 75 CO 0.01 -0.35 -0.16 -1.12 -1.46 0.00 0.00 175.22 172.14 2jox s SER 76 N 0.92 1.92 -0.21 6.13 0.01 0.27 -0.12 113.70 122.61 2jox s SER 76 Ca -0.10 -0.39 -0.05 0.00 1.31 0.00 0.00 55.95 56.73 2jox s SER 76 Cb -0.15 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2jox s SER 76 CO 0.01 0.13 -0.01 -0.63 0.41 0.00 0.00 173.24 173.15 2jox s ILE 77 N -0.61 3.71 -0.22 1.44 1.01 -1.26 0.22 121.20 125.49 2jox s ILE 77 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2jox s ILE 77 Cb -0.07 -2.69 0.04 0.00 0.01 0.00 0.00 42.46 39.75 2jox s ILE 77 CO 0.01 0.41 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 2jox s MET 78 N 1.29 2.69 0.00 2.79 0.23 -0.54 -4.90 119.30 120.87 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 -0.15 -2.74 0.00 0.00 -1.53 0.00 0.00 34.83 30.42 2jox s MET 78 CO -0.00 -0.37 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 0.78 -4.37 -1.24 -0.58 -1.26 -5.09 120.64 108.89 2jox n GLU 80 Ca 0.00 -0.72 -0.18 0.00 -0.42 0.00 0.00 57.16 55.84 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 -0.30 1.68 0.03 -0.32 0.08 0.18 -0.49 117.98 118.84 2jox s PHE 81 Ca 0.00 -1.12 0.08 0.00 0.12 0.00 0.00 56.93 56.00 2jox s PHE 81 Cb 0.00 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.40 2jox s PHE 81 CO 0.00 -0.24 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.01 2jox s GLN 82 N -3.97 1.60 -0.09 0.44 -0.21 0.90 -1.46 119.66 116.87 2jox s GLN 82 Ca 0.37 -0.95 0.04 0.00 0.02 0.00 0.00 55.36 54.84 2jox s GLN 82 Cb 0.08 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.40 2jox s GLN 82 CO 0.14 0.44 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.32 2jox s GLU 83 N -1.02 2.72 -0.09 2.91 2.02 0.13 -0.52 118.70 124.85 2jox s GLU 83 Ca 0.09 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.31 2jox s GLU 83 Cb -0.09 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.03 2jox s GLU 83 CO 0.01 0.19 -0.21 0.71 0.02 0.00 0.00 175.26 175.98 2jox s TYR 84 N 0.30 2.26 0.01 1.61 1.51 0.32 -0.56 117.35 122.79 2jox s TYR 84 Ca -0.15 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 55.00 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 -0.38 -0.01 0.95 -1.11 0.00 0.00 175.55 175.07 2jox s THR 85 N 0.43 0.04 0.02 -0.71 -4.23 0.19 -0.85 115.64 110.52 2jox s THR 85 Ca -0.18 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 2jox s THR 85 Cb -0.17 -0.08 -0.01 0.00 1.34 0.00 0.00 72.50 73.57 2jox s THR 85 CO 0.08 -0.13 -0.05 -0.32 -0.54 0.00 0.00 174.62 173.66 2jox s MET 86 N -0.39 0.36 -0.27 3.99 0.00 0.13 -0.57 119.30 122.55 2jox s MET 86 Ca -0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 55.69 55.19 2jox s MET 86 Cb -0.03 -0.17 0.15 0.00 0.00 0.00 0.00 34.83 34.78 2jox s MET 86 CO -0.00 0.03 0.39 -1.17 0.00 0.00 0.00 175.02 174.27 2jox s LEU 87 N -0.93 -0.68 -0.04 4.11 2.96 0.57 -1.13 118.68 123.53 2jox s LEU 87 Ca -0.07 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2jox s LEU 87 Cb -0.06 1.09 0.02 0.00 0.50 0.00 0.00 46.19 47.73 2jox s LEU 87 CO -0.00 -0.33 0.09 0.00 -1.32 0.00 0.00 176.35 174.79 2jox h LEU 89 N 6.45 0.48 0.00 0.00 5.85 -1.82 -1.66 115.31 124.61 2jox h LEU 89 Ca -0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2jox h LEU 89 Cb 1.18 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2jox h LEU 89 CO 0.46 0.33 -0.49 -0.11 -0.34 0.00 0.00 178.44 178.29 2jox n LEU 90 N -4.47 1.14 -0.09 2.25 7.94 -1.26 -2.08 117.00 120.42 2jox n LEU 90 Ca 0.06 0.31 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 2jox n LEU 90 Cb 0.15 -0.68 0.20 0.00 0.53 0.00 0.00 43.42 43.62 2jox n LEU 90 CO 0.35 -0.41 0.92 0.00 -1.11 0.00 0.00 177.39 177.14 2jox n GLY 92 N -0.76 2.07 3.25 0.00 0.00 -0.62 -4.78 105.19 104.36 2jox n GLY 92 Ca 0.03 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.60 3.01 0.05 1.61 2.20 -0.08 -0.80 119.74 124.13 2jox s LYS 93 Ca 0.00 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.69 2jox s LYS 93 Cb 0.00 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 2jox s LYS 93 CO 0.00 -0.36 0.09 0.00 -0.36 0.00 0.00 175.35 174.72 2jox s ALA 94 N 1.40 0.03 -0.13 3.13 0.00 -0.29 -4.02 121.76 121.88 2jox s ALA 94 Ca 0.02 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2jox s ALA 94 Cb -0.16 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.31 2jox s ALA 94 CO -0.03 -0.38 0.34 -2.00 0.00 0.00 0.00 175.76 173.70 2jox s GLU 95 N -3.22 0.39 0.03 0.00 2.12 -1.26 -0.69 118.70 116.06 2jox s GLU 95 Ca 0.00 0.50 -0.03 0.00 0.36 0.00 0.00 54.97 55.80 2jox s GLU 95 Cb 0.02 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 2jox s GLU 95 CO -0.07 -0.06 0.03 0.34 -0.54 0.00 0.00 175.26 174.96 2jox s ASP 96 N 0.31 0.22 -0.02 -1.70 2.15 -0.03 -4.60 116.67 112.99 2jox s ASP 96 Ca -0.01 -0.52 0.01 0.00 0.43 0.00 0.00 52.55 52.46 2jox s ASP 96 Cb -0.03 0.16 0.01 0.00 -0.30 0.00 0.00 42.92 42.76 2jox s ASP 96 CO -0.01 -0.40 -0.03 -0.89 -0.17 0.00 0.00 175.17 173.67 2jox s THR 97 N -2.04 0.35 -0.12 1.71 2.01 -1.26 -0.52 115.64 115.77 2jox s THR 97 Ca -0.10 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2jox s THR 97 Cb -0.05 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.11 2jox s THR 97 CO -0.03 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.22 2jox s ILE 98 N 0.48 1.83 0.03 1.82 1.01 0.32 -4.96 121.20 121.73 2jox s ILE 98 Ca -0.05 -0.85 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 2jox s ILE 98 Cb -0.09 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 2jox s ILE 98 CO -0.01 0.51 0.86 -0.94 0.00 0.00 0.00 174.94 175.36 2jox s SER 99 N 0.80 7.29 0.31 3.58 1.04 -1.26 -0.07 113.70 125.39 2jox s SER 99 Ca -0.09 1.55 0.03 0.00 0.48 0.00 0.00 55.95 57.92 2jox s SER 99 Cb -0.16 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 2jox s SER 99 CO 0.00 -0.09 0.12 2.30 0.98 0.00 0.00 173.24 176.55 2jox n ILE 100 N 3.22 0.00 -4.22 -1.02 -6.64 0.36 -4.72 119.36 106.33 2jox n ILE 100 Ca 0.01 -1.86 -0.13 0.00 -1.77 0.00 0.00 62.75 59.00 2jox n ILE 100 Cb 0.50 0.69 -0.10 0.00 -1.44 0.00 0.00 39.64 39.29 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 2.24 0.50 7.28 1.43 -1.26 -4.73 118.68 124.13 2jox s LEU 101 Ca 0.17 -1.12 0.33 0.00 -1.03 0.00 0.00 54.13 52.49 2jox s LEU 101 Cb 0.01 -0.07 1.81 0.00 0.03 0.00 0.00 46.19 47.96 2jox s LEU 101 CO 0.12 -0.53 2.02 1.55 0.23 0.00 0.00 176.35 179.75 2jox h PRO 102 N 2.77 0.00 0.00 1.29 0.13 -1.98 -1.13 132.00 133.08 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jox h PRO 102 CO 0.63 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 2jox n ASP 103 N -2.68 0.00 -3.73 1.44 8.00 -1.26 -4.95 116.55 113.37 2jox n ASP 103 Ca -0.02 -0.34 -0.25 0.00 0.71 0.00 0.00 54.79 54.88 2jox n ASP 103 Cb 0.06 -0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 2jox n ASP 103 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jox n ASP 104 N -1.15 -2.64 0.18 -2.24 2.03 -0.43 -4.95 116.55 107.36 2jox n ASP 104 Ca 0.13 -0.93 0.06 0.00 0.52 0.00 0.00 54.79 54.58 2jox n ASP 104 Cb 0.12 -3.63 0.24 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.82 0.00 -4.52 -0.67 0.13 -1.93 -3.48 132.00 119.71 2jox h PRO 105 Ca -0.63 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.28 2jox h PRO 105 Cb 1.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 2jox h PRO 105 CO 0.54 0.34 -0.30 0.54 -0.23 0.00 0.00 178.00 178.90 2jox n ARG 106 N -3.32 -2.62 -0.04 0.86 1.74 -1.26 -5.12 116.66 106.90 2jox n ARG 106 Ca 0.01 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 2jox n ARG 106 Cb 0.58 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 27.01 2jox n ARG 106 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15