#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 1.31 0.28 0.00 0.00 -1.26 -4.59 105.19 100.92 2jox n GLY 3 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.07 1.61 3.32 -1.95 -2.58 116.42 116.89 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 -0.04 0.00 -1.72 0.00 0.00 179.24 177.48 2jox s VAL 6 N -4.74 3.69 0.18 0.00 -7.23 -0.97 -0.81 120.40 110.52 2jox s VAL 6 Ca -0.05 -0.48 -0.10 0.00 -1.81 0.00 0.00 61.98 59.54 2jox s VAL 6 Cb 0.16 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.67 2jox s VAL 6 CO 0.62 0.60 1.67 -0.08 -0.31 0.00 0.00 175.10 177.60 2jox h GLU 7 N 5.25 1.04 -4.60 4.82 4.81 -0.92 -3.44 114.58 121.54 2jox h GLU 7 Ca -0.49 -0.28 -0.35 0.00 -0.13 0.00 0.00 59.36 58.11 2jox h GLU 7 Cb 1.17 -0.12 -0.27 0.00 0.63 0.00 0.00 28.75 30.16 2jox h GLU 7 CO 0.52 0.97 -0.76 0.15 -0.73 0.00 0.00 179.01 179.16 2jox s LYS 8 N -5.20 0.60 -0.15 1.92 1.02 -1.26 -5.13 119.74 111.55 2jox s LYS 8 Ca -0.12 -0.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 2jox s LYS 8 Cb 0.14 -0.55 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 2jox s LYS 8 CO 0.84 0.14 0.93 -1.21 -0.92 0.00 0.00 175.35 175.13 2jox s GLU 9 N -0.47 4.35 -1.17 1.68 2.02 -1.26 -4.27 118.70 119.58 2jox s GLU 9 Ca 0.01 1.22 -0.26 0.00 0.02 0.00 0.00 54.97 55.96 2jox s GLU 9 Cb -0.04 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.63 2jox s GLU 9 CO -0.00 -0.35 0.75 0.66 0.02 0.00 0.00 175.26 176.34 2jox n TYR 10 N 5.22 -1.72 -1.91 1.61 4.02 -0.93 -4.92 117.16 118.54 2jox n TYR 10 Ca 0.07 0.32 -0.38 0.00 -0.01 0.00 0.00 57.90 57.89 2jox n TYR 10 Cb 0.48 -3.21 0.03 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 -6.51 3.36 0.33 -0.72 0.04 -1.26 -3.65 135.00 126.59 2jox s PRO 11 Ca 0.48 2.14 -0.26 0.00 0.04 0.00 0.00 61.00 63.39 2jox s PRO 11 Cb -0.20 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 2jox s PRO 11 CO 0.90 -0.98 1.00 -0.80 0.04 0.00 0.00 177.00 177.16 2jox s ASN 12 N -1.01 7.18 -0.23 6.66 0.02 -1.26 -0.91 114.94 125.39 2jox s ASN 12 Ca 0.68 1.97 0.10 0.00 -1.02 0.00 0.00 52.86 54.59 2jox s ASN 12 Cb -0.38 -2.59 0.44 0.00 0.02 0.00 0.00 41.25 38.74 2jox s ASN 12 CO 0.45 -0.19 1.26 0.54 0.02 0.00 0.00 177.10 179.19 2jox n ARG 13 N 0.54 1.84 -3.41 -0.60 5.12 -1.26 -4.93 116.66 113.95 2jox n ARG 13 Ca 0.02 -3.38 -0.25 0.00 -1.93 0.00 0.00 57.85 52.31 2jox n ARG 13 Cb 0.49 -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 -1.08 -0.51 1.89 -0.13 0.00 -1.26 -1.84 105.19 102.26 2jox n GLY 14 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.63 -1.74 -4.65 1.61 4.13 -1.26 -5.05 115.26 105.67 2jox n ASN 15 Ca -0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.80 2jox n ASN 15 Cb 0.57 -0.29 -0.02 0.00 -1.54 0.00 0.00 39.78 38.49 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 -2.49 3.87 -0.26 3.41 2.01 -0.77 -4.34 115.64 117.07 2jox s THR 16 Ca 0.00 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.06 2jox s THR 16 Cb 0.00 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.84 2jox s THR 16 CO 0.00 -0.17 -0.08 0.00 -0.69 0.00 0.00 174.62 173.69 2jox s LEU 18 N 1.19 2.40 0.00 0.00 1.02 -1.26 -4.99 118.68 117.04 2jox s LEU 18 Ca -0.06 -0.55 0.24 0.00 0.02 0.00 0.00 54.13 53.77 2jox s LEU 18 Cb -0.20 -1.38 0.27 0.00 0.02 0.00 0.00 46.19 44.91 2jox s LEU 18 CO -0.06 0.24 1.25 -1.84 0.02 0.00 0.00 176.35 175.97 2jox n GLU 19 N 1.48 0.45 -3.90 1.70 0.00 -1.26 -4.71 120.64 114.41 2jox n GLU 19 Ca -0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 57.16 56.58 2jox n GLU 19 Cb 0.52 -1.49 -0.08 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 -2.77 0.14 0.00 -1.84 0.01 -1.26 -5.05 114.94 104.17 2jox s ASN 20 Ca 0.15 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 2jox s ASN 20 Cb 0.18 0.28 0.00 0.00 0.41 0.00 0.00 41.25 42.11 2jox s ASN 20 CO 0.67 -0.59 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 2jox n GLY 21 N 0.45 -0.68 3.26 0.66 0.00 -1.26 -5.05 105.19 102.57 2jox n GLY 21 Ca -0.17 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.00 -0.25 -1.21 1.61 0.01 -1.26 -5.06 113.70 103.53 2jox s SER 22 Ca 0.00 0.98 -0.20 0.00 1.31 0.00 0.00 55.95 58.05 2jox s SER 22 Cb 0.00 1.36 -0.02 0.00 0.21 0.00 0.00 66.02 67.56 2jox s SER 22 CO 0.00 -0.23 1.89 0.33 0.41 0.00 0.00 173.24 175.63 2jox n PHE 23 N 5.39 3.48 -0.13 2.43 7.35 -1.26 -4.84 117.46 129.87 2jox n PHE 23 Ca -0.08 -2.21 0.27 0.00 -0.76 0.00 0.00 57.45 54.67 2jox n PHE 23 Cb 0.49 -2.52 0.72 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 14.44 0.00 -1.32 -2.13 3.38 -1.96 -0.56 115.31 127.16 2jox h LEU 24 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2jox h LEU 24 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jox h LEU 24 CO 1.47 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.93 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 0.39 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.01 2jox h LEU 25 Cb 1.59 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.28 2jox h LEU 25 CO -0.00 0.00 -2.29 -3.20 0.09 0.00 0.00 178.44 173.03 2jox n ASN 26 N -3.02 1.10 -4.59 -0.43 5.15 -0.31 -4.88 115.26 108.27 2jox n ASN 26 Ca 0.01 -0.05 -0.42 0.00 -0.60 0.00 0.00 54.58 53.52 2jox n ASN 26 Cb 0.31 0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 39.99 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 1.61 -2.34 1.20 5.36 -0.63 -0.27 117.98 120.45 2jox s PHE 27 Ca -0.18 0.65 0.27 0.00 -0.96 0.00 0.00 56.93 56.71 2jox s PHE 27 Cb 0.06 -4.05 1.13 0.00 -0.34 0.00 0.00 43.02 39.82 2jox s PHE 27 CO 0.68 -3.19 1.78 0.25 -1.46 0.00 0.00 175.22 173.27 2jox n THR 28 N 7.52 0.05 0.00 0.12 -2.24 0.01 -4.86 114.28 114.87 2jox n THR 28 Ca 0.25 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2jox n THR 28 Cb 0.47 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 1.69 3.33 3.38 0.00 -1.24 -4.90 105.19 108.57 2jox n GLY 29 Ca 0.19 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.31 1.45 0.05 0.00 0.00 -1.26 -3.35 120.51 113.09 2jox n ALA 31 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2jox n ALA 31 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.40 116.25 114.31 2jox h VAL 32 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2jox h VAL 32 Cb 0.00 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2jox h VAL 32 CO 0.00 0.68 -0.24 0.00 0.02 0.00 0.00 177.57 178.03 2jox n SER 34 N -0.53 -2.84 -4.83 0.00 2.88 -1.21 -5.04 113.62 102.05 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 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.92 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 -1.22 4.18 0.27 -1.46 -0.14 -1.26 -4.62 119.74 115.48 2jox s LYS 35 Ca 0.00 0.85 0.11 0.00 -1.36 0.00 0.00 55.97 55.57 2jox s LYS 35 Cb 0.00 -2.62 -0.05 0.00 -1.68 0.00 0.00 37.83 33.48 2jox s LYS 35 CO 0.00 0.25 -0.17 0.50 -0.76 0.00 0.00 175.35 175.17 2jox s ARG 36 N -2.51 1.60 -1.18 1.68 3.52 -1.26 -0.29 118.95 120.52 2jox s ARG 36 Ca 0.50 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.36 2jox s ARG 36 Cb -0.13 -1.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.68 2jox s ARG 36 CO 0.19 0.27 0.00 -0.40 -0.81 0.00 0.00 175.30 174.55 2jox n ASP 37 N -0.58 -3.80 -3.97 -2.12 5.68 -1.26 -4.95 116.55 105.56 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 -3.32 -0.15 0.00 -1.14 0.00 0.00 41.12 37.11 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 -2.46 3.44 -0.05 2.11 0.40 -1.26 -5.05 117.98 115.12 2jox s PHE 38 Ca 0.00 -2.84 -0.30 0.00 -0.60 0.00 0.00 56.93 53.19 2jox s PHE 38 Cb 0.00 -2.75 0.07 0.00 0.51 0.00 0.00 43.02 40.85 2jox s PHE 38 CO 0.00 -0.93 0.67 0.00 0.70 0.00 0.00 175.22 175.66 2jox s MET 39 N 0.92 1.05 0.29 0.44 0.23 -1.26 -2.68 119.30 118.29 2jox s MET 39 Ca 0.11 0.23 0.04 0.00 -1.03 0.00 0.00 55.69 55.05 2jox s MET 39 Cb -0.19 0.50 -0.06 0.00 -1.53 0.00 0.00 34.83 33.54 2jox s MET 39 CO -0.10 -0.33 0.01 -0.51 -2.03 0.00 0.00 175.02 172.06 2jox s LEU 40 N -1.22 2.27 -0.05 0.18 2.01 0.37 -4.74 118.68 117.50 2jox s LEU 40 Ca -0.11 -1.28 0.03 0.00 0.01 0.00 0.00 54.13 52.78 2jox s LEU 40 Cb -0.00 -0.42 0.00 0.00 0.01 0.00 0.00 46.19 45.78 2jox s LEU 40 CO 0.09 -0.51 -0.14 -0.63 1.01 0.00 0.00 176.35 176.18 2jox s ILE 41 N -3.25 1.20 0.28 -0.59 1.01 -1.26 -0.97 121.20 117.62 2jox s ILE 41 Ca 0.32 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 2jox s ILE 41 Cb 0.07 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2jox s ILE 41 CO 0.13 0.36 0.39 0.28 0.00 0.00 0.00 174.94 176.09 2jox s THR 42 N 0.25 0.00 -0.57 2.92 -1.32 -1.20 -4.93 115.64 110.79 2jox s THR 42 Ca -0.07 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2jox s THR 42 Cb -0.12 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 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 -0.79 -4.68 -4.57 8.08 2.04 -1.26 -3.55 115.26 110.53 2jox n ASN 43 Ca 0.01 0.13 -0.49 0.00 -0.44 0.00 0.00 54.58 53.79 2jox n ASN 43 Cb 0.63 -3.25 -0.06 0.00 -2.53 0.00 0.00 39.78 34.57 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 -0.13 1.59 -4.13 -3.83 4.81 -1.26 -4.81 118.16 110.40 2jox n LYS 44 Ca -0.05 0.50 -0.25 0.00 -0.87 0.00 0.00 58.31 57.64 2jox n LYS 44 Cb 0.45 -2.64 -0.06 0.00 0.02 0.00 0.00 35.03 32.80 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 6.26 5.27 -0.01 3.14 0.01 0.14 -5.01 113.70 123.49 2jox s SER 45 Ca 1.02 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2jox s SER 45 Cb -0.72 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2jox s SER 45 CO 0.48 0.05 -0.01 -0.22 0.41 0.00 0.00 173.24 173.95 2jox s LEU 46 N -3.25 1.81 0.04 2.44 0.20 -1.26 -1.53 118.68 117.14 2jox s LEU 46 Ca 0.30 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.14 2jox s LEU 46 Cb -0.09 -0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.55 2jox s LEU 46 CO 0.22 -0.01 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.40 2jox s LYS 47 N 0.20 0.79 -0.10 1.98 2.20 0.01 -5.00 119.74 119.82 2jox s LYS 47 Ca -0.02 -0.74 -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 35.57 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 0.14 -0.17 4.03 2.02 -1.26 -0.24 118.70 122.00 2jox s GLU 48 Ca -0.01 0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.11 2jox s GLU 48 Cb -0.08 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.04 2jox s GLU 48 CO 0.01 -0.45 -0.18 -1.21 0.02 0.00 0.00 175.26 173.44 2jox s GLU 49 N 2.10 3.05 -0.68 1.61 2.02 -0.48 -4.90 118.70 121.42 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 0.00 175.26 171.61 2jox n ASP 50 N 4.48 -1.79 0.00 -0.19 2.03 -1.26 -0.61 116.55 119.21 2jox n ASP 50 Ca -0.20 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2jox n ASP 50 Cb 0.51 -1.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 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 -0.17 2.15 3.74 0.27 0.00 -1.26 -4.98 105.19 104.95 2jox n GLY 51 Ca -0.07 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 4.63 -0.11 1.61 2.12 0.22 -4.45 118.70 122.67 2jox s GLU 52 Ca 0.00 1.71 0.03 0.00 0.36 0.00 0.00 54.97 57.07 2jox s GLU 52 Cb 0.00 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 2jox s GLU 52 CO 0.00 0.15 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.46 2jox s GLU 53 N -0.69 3.16 -0.01 4.30 2.02 0.88 -1.38 118.70 126.97 2jox s GLU 53 Ca 0.47 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.71 2jox s GLU 53 Cb -0.30 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 2jox s GLU 53 CO 0.36 0.18 -0.20 0.42 0.02 0.00 0.00 175.26 176.05 2jox s ILE 54 N 0.36 1.56 -0.11 -1.63 1.09 0.67 -0.23 121.20 122.90 2jox s ILE 54 Ca -0.16 -0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 58.54 2jox s ILE 54 Cb -0.17 -1.29 0.03 0.00 -1.06 0.00 0.00 42.46 39.97 2jox s ILE 54 CO 0.07 0.44 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.63 2jox s VAL 55 N -0.47 0.72 -0.06 2.92 1.01 0.59 -0.81 120.40 124.29 2jox s VAL 55 Ca 0.08 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2jox s VAL 55 Cb -0.08 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 2jox s VAL 55 CO -0.01 0.22 -0.22 0.42 0.00 0.00 0.00 175.10 175.51 2jox s THR 56 N 1.82 1.84 0.01 3.92 -4.23 -0.58 -0.77 115.64 117.65 2jox s THR 56 Ca 0.04 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.61 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 0.51 0.02 0.00 -0.54 0.00 0.00 174.62 174.55 2jox n TYR 57 N 3.17 -0.83 -4.02 3.99 4.11 -0.27 -0.68 117.16 122.62 2jox n TYR 57 Ca -0.18 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.90 57.57 2jox n TYR 57 Cb 0.52 0.03 -0.10 0.00 -0.00 0.00 0.00 39.34 39.79 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 -1.07 0.36 -0.05 9.48 1.11 -1.23 -1.09 116.67 124.18 2jox s ASP 58 Ca 0.01 -0.83 0.02 0.00 0.18 0.00 0.00 52.55 51.93 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 0.01 -0.58 -0.10 -1.00 1.18 0.00 0.00 175.17 174.68 2jox s HIS 59 N -3.47 2.83 -0.03 4.23 3.76 -0.08 -3.23 115.29 119.29 2jox s HIS 59 Ca 0.03 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 2jox s HIS 59 Cb 0.04 -1.66 0.01 0.00 1.11 0.00 0.00 32.58 32.08 2jox s HIS 59 CO -0.08 0.28 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.48 2jox s LEU 60 N -0.85 1.71 0.08 0.89 1.02 -0.14 -0.64 118.68 120.75 2jox s LEU 60 Ca 0.12 -0.19 -0.31 0.00 0.02 0.00 0.00 54.13 53.78 2jox s LEU 60 Cb -0.11 -0.56 -0.10 0.00 0.02 0.00 0.00 46.19 45.44 2jox s LEU 60 CO 0.02 0.05 1.90 0.00 0.02 0.00 0.00 176.35 178.33 2jox n LYS 62 N 6.43 0.11 -0.02 0.00 3.00 -1.09 -0.46 118.16 126.13 2jox n LYS 62 Ca 0.19 0.54 -0.02 0.00 -0.00 0.00 0.00 58.31 59.02 2jox n LYS 62 Cb 0.38 -1.81 -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 -2.03 0.48 -0.26 3.14 5.15 -1.26 -4.72 115.26 115.76 2jox n ASN 63 Ca -0.00 0.22 0.12 0.00 -0.60 0.00 0.00 54.58 54.32 2jox n ASN 63 Cb 0.07 -0.58 0.23 0.00 -0.53 0.00 0.00 39.78 38.98 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 -0.67 -0.48 -2.24 0.00 8.25 0.39 -4.96 115.22 115.51 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 0.37 -2.72 -0.01 0.00 1.12 0.00 0.00 29.99 28.75 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 -2.27 2.84 -0.54 4.41 5.65 -1.26 -4.62 115.29 119.49 2jox s HIS 66 Ca 0.00 1.53 -0.28 0.00 0.25 0.00 0.00 55.06 56.56 2jox s HIS 66 Cb 0.00 -3.38 0.01 0.00 -1.18 0.00 0.00 32.58 28.03 2jox s HIS 66 CO 0.00 -1.56 1.44 0.08 -0.65 0.00 0.00 174.74 174.06 2jox s VAL 67 N -1.56 3.77 0.13 0.89 1.01 -1.26 -1.40 120.40 121.98 2jox s VAL 67 Ca 0.65 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 2jox s VAL 67 Cb -0.28 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.70 2jox s VAL 67 CO 0.34 -1.10 1.71 0.40 0.00 0.00 0.00 175.10 176.45 2jox h ILE 68 N 6.42 1.16 -2.68 2.22 2.04 -1.22 -3.36 117.51 122.08 2jox h ILE 68 Ca -0.27 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.26 2jox h ILE 68 Cb 1.10 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 2jox h ILE 68 CO 1.17 0.16 0.35 0.00 0.00 0.00 0.00 178.15 179.83 2jox s ALA 69 N -5.75 -1.47 -0.03 1.87 0.00 -1.22 -3.44 121.76 111.71 2jox s ALA 69 Ca -0.13 0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.90 2jox s ALA 69 Cb 0.10 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2jox s ALA 69 CO 0.73 -1.00 -0.19 1.03 0.00 0.00 0.00 175.76 176.34 2jox s ARG 70 N -3.59 2.32 -0.02 0.00 3.00 -1.26 -0.90 118.95 118.49 2jox s ARG 70 Ca 0.10 -0.81 0.06 0.00 0.00 0.00 0.00 55.73 55.09 2jox s ARG 70 Cb -0.03 -2.24 -0.01 0.00 0.00 0.00 0.00 34.95 32.66 2jox s ARG 70 CO 0.02 0.59 -0.20 -1.58 0.00 0.00 0.00 175.30 174.14 2jox s HIS 71 N -0.71 1.84 -0.02 -0.53 2.46 -0.25 -2.79 115.29 115.29 2jox s HIS 71 Ca 0.11 -0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.26 2jox s HIS 71 Cb -0.10 -1.19 0.02 0.00 -0.13 0.00 0.00 32.58 31.18 2jox s HIS 71 CO 0.00 -0.06 0.02 -2.00 -2.47 0.00 0.00 174.74 170.23 2jox s GLU 72 N -0.40 0.06 -0.07 2.88 2.12 0.03 -1.12 118.70 122.20 2jox s GLU 72 Ca 0.06 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2jox s GLU 72 Cb -0.09 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.06 2jox s GLU 72 CO -0.00 -0.12 -0.08 -0.47 -0.54 0.00 0.00 175.26 174.05 2jox s TYR 73 N 0.85 1.18 -0.03 5.30 5.04 0.05 -0.33 117.35 129.40 2jox s TYR 73 Ca -0.07 -0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.14 2jox s TYR 73 Cb -0.11 -0.96 -0.00 0.00 0.35 0.00 0.00 41.96 41.24 2jox s TYR 73 CO -0.02 -0.31 -0.13 0.95 -1.34 0.00 0.00 175.55 174.70 2jox s THR 74 N 1.10 1.09 -0.08 4.34 -4.23 0.31 -0.30 115.64 117.87 2jox s THR 74 Ca -0.07 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2jox s THR 74 Cb -0.14 -0.95 0.02 0.00 1.34 0.00 0.00 72.50 72.76 2jox s THR 74 CO -0.01 0.32 -0.11 0.12 -0.54 0.00 0.00 174.62 174.40 2jox s PHE 75 N 0.10 1.49 0.02 3.99 5.36 0.68 -0.66 117.98 128.96 2jox s PHE 75 Ca -0.03 -0.61 0.05 0.00 -0.96 0.00 0.00 56.93 55.38 2jox s PHE 75 Cb -0.10 -1.13 -0.02 0.00 -0.34 0.00 0.00 43.02 41.43 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 0.96 1.92 -0.21 6.13 0.01 0.22 -0.09 113.70 122.65 2jox s SER 76 Ca -0.09 -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 0.00 0.13 -0.02 -0.63 0.41 0.00 0.00 173.24 173.14 2jox s ILE 77 N -0.62 3.69 -0.22 1.44 1.01 -1.26 0.22 121.20 125.47 2jox s ILE 77 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2jox s ILE 77 Cb -0.07 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.75 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 1.29 2.70 0.00 2.79 0.23 -0.52 -4.90 119.30 120.89 2jox s MET 78 Ca 0.04 -1.03 0.00 0.00 -1.03 0.00 0.00 55.69 53.66 2jox s MET 78 Cb -0.14 -2.73 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 0.00 175.02 172.38 2jox n ASP 79 N 4.56 0.00 0.00 -1.18 8.00 -1.26 -0.69 116.55 125.97 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 0.25 -4.39 -1.24 1.02 -1.26 -5.11 120.64 109.91 2jox n GLU 80 Ca 0.00 -0.44 -0.19 0.00 -0.02 0.00 0.00 57.16 56.51 2jox n GLU 80 Cb 0.00 -0.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.11 1.74 0.03 -0.32 0.08 0.13 -0.50 117.98 119.03 2jox s PHE 81 Ca 0.00 -1.09 0.08 0.00 0.12 0.00 0.00 56.93 56.04 2jox s PHE 81 Cb 0.00 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 2jox s PHE 81 CO 0.00 -0.18 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.06 2jox s GLN 82 N -3.95 1.60 -0.09 0.44 -0.21 0.91 -1.45 119.66 116.92 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 0.15 0.44 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.32 2jox s GLU 83 N -1.03 2.80 -0.09 2.91 2.02 0.13 -0.54 118.70 124.91 2jox s GLU 83 Ca 0.09 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.30 2jox s GLU 83 Cb -0.09 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2jox s GLU 83 CO 0.01 0.18 -0.21 0.71 0.02 0.00 0.00 175.26 175.97 2jox s TYR 84 N 0.33 2.28 0.01 1.61 1.51 0.31 -0.61 117.35 122.79 2jox s TYR 84 Ca -0.17 -0.91 0.00 0.00 -1.01 0.00 0.00 57.07 54.98 2jox s TYR 84 Cb -0.17 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 2jox s TYR 84 CO 0.08 -0.38 -0.01 0.95 -1.11 0.00 0.00 175.55 175.08 2jox s THR 85 N 0.41 0.04 0.01 -0.71 -4.23 0.17 -0.80 115.64 110.53 2jox s THR 85 Ca -0.18 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2jox s THR 85 Cb -0.17 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.57 2jox s THR 85 CO 0.08 -0.13 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.68 2jox s MET 86 N -0.40 0.24 -0.27 3.99 0.00 0.11 -0.53 119.30 122.44 2jox s MET 86 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 55.69 55.29 2jox s MET 86 Cb -0.03 -0.04 0.15 0.00 0.00 0.00 0.00 34.83 34.91 2jox s MET 86 CO -0.00 0.00 0.39 -1.17 0.00 0.00 0.00 175.02 174.24 2jox s LEU 87 N -0.77 -0.69 -0.04 4.11 2.96 0.55 -1.07 118.68 123.72 2jox s LEU 87 Ca -0.07 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2jox s LEU 87 Cb -0.05 1.10 0.02 0.00 0.50 0.00 0.00 46.19 47.76 2jox s LEU 87 CO -0.00 -0.33 0.10 0.00 -1.32 0.00 0.00 176.35 174.80 2jox h LEU 89 N 6.36 0.46 0.00 0.00 5.85 -1.82 -1.67 115.31 124.49 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 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2jox h LEU 89 CO 0.45 0.33 -0.55 -0.11 -0.34 0.00 0.00 178.44 178.21 2jox n LEU 90 N -4.47 1.26 -0.14 2.25 7.94 -1.26 -2.18 117.00 120.40 2jox n LEU 90 Ca 0.05 0.32 -0.04 0.00 -1.11 0.00 0.00 56.01 55.23 2jox n LEU 90 Cb 0.12 -0.69 0.16 0.00 0.53 0.00 0.00 43.42 43.54 2jox n LEU 90 CO 0.35 -0.40 0.94 0.00 -1.11 0.00 0.00 177.39 177.18 2jox n GLY 92 N -0.77 1.86 3.24 0.00 0.00 -0.63 -4.78 105.19 104.12 2jox n GLY 92 Ca 0.04 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.48 3.04 0.05 1.61 2.20 -0.09 -0.79 119.74 124.29 2jox s LYS 93 Ca 0.00 -0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 2jox s LYS 93 Cb 0.00 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2jox s LYS 93 CO 0.00 -0.33 0.09 0.00 -0.36 0.00 0.00 175.35 174.75 2jox s ALA 94 N 1.39 0.03 -0.14 3.13 0.00 -0.23 -4.05 121.76 121.89 2jox s ALA 94 Ca 0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2jox s ALA 94 Cb -0.16 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 0.00 175.76 173.72 2jox s GLU 95 N -3.21 0.42 0.03 0.00 2.12 -1.26 -0.72 118.70 116.08 2jox s GLU 95 Ca 0.00 0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 2jox s GLU 95 Cb 0.02 0.16 -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 0.00 175.26 174.94 2jox s ASP 96 N 0.46 0.22 -0.02 -1.70 2.15 0.02 -4.59 116.67 113.20 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 42.76 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 -2.05 0.38 -0.12 1.71 2.01 -1.26 -0.53 115.64 115.78 2jox s THR 97 Ca -0.10 -0.11 0.02 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 0.16 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.24 2jox s ILE 98 N 0.52 1.82 0.05 1.82 1.01 0.30 -4.96 121.20 121.75 2jox s ILE 98 Ca -0.06 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 2jox s ILE 98 Cb -0.09 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2jox s ILE 98 CO -0.00 0.50 0.85 -0.94 0.00 0.00 0.00 174.94 175.35 2jox s SER 99 N 0.81 7.30 0.38 3.58 1.04 -1.26 -0.06 113.70 125.49 2jox s SER 99 Ca -0.09 1.56 0.04 0.00 0.48 0.00 0.00 55.95 57.95 2jox s SER 99 Cb -0.16 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2jox s SER 99 CO -0.00 -0.07 0.16 0.27 0.98 0.00 0.00 173.24 174.58 2jox s ILE 100 N 0.23 0.45 0.07 -1.02 -5.25 0.34 -4.74 121.20 111.28 2jox s ILE 100 Ca 0.43 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 58.08 2jox s ILE 100 Cb -0.21 -2.41 -0.04 0.00 2.95 0.00 0.00 42.46 42.75 2jox s ILE 100 CO 0.25 0.00 -0.02 -0.76 -1.79 0.00 0.00 174.94 172.63 2jox s LEU 101 N -3.53 2.37 0.46 0.37 1.43 -1.26 -4.71 118.68 113.82 2jox s LEU 101 Ca 0.29 -1.04 0.31 0.00 -1.03 0.00 0.00 54.13 52.67 2jox s LEU 101 Cb 0.03 0.19 1.64 0.00 0.03 0.00 0.00 46.19 48.08 2jox s LEU 101 CO 0.17 -0.61 1.96 1.55 0.23 0.00 0.00 176.35 179.65 2jox h PRO 102 N 3.08 0.00 0.00 1.29 0.13 -2.00 -1.78 132.00 132.73 2jox h PRO 102 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jox h PRO 102 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jox h PRO 102 CO 0.65 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.95 2jox n ASP 103 N -2.63 0.00 -3.62 1.44 2.03 -1.26 -4.95 116.55 107.55 2jox n ASP 103 Ca -0.01 -0.45 -0.25 0.00 0.52 0.00 0.00 54.79 54.59 2jox n ASP 103 Cb 0.09 -0.11 0.04 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.11 -4.20 0.18 1.67 2.03 -0.67 -4.94 116.55 109.51 2jox n ASP 104 Ca 0.15 -0.91 0.05 0.00 0.52 0.00 0.00 54.79 54.60 2jox n ASP 104 Cb 0.11 -3.89 0.28 0.00 -0.72 0.00 0.00 41.12 36.90 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 -1.73 0.00 -5.58 -0.67 0.13 -1.93 -3.48 132.00 118.75 2jox h PRO 105 Ca -0.64 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.28 2jox h PRO 105 Cb 1.35 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 2jox h PRO 105 CO 0.50 0.41 -0.31 2.89 -0.23 0.00 0.00 178.00 181.27 2jox n ARG 106 N -3.49 -2.13 0.00 0.86 1.85 -1.26 -5.12 116.66 107.38 2jox n ARG 106 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2jox n ARG 106 Cb 0.55 -4.35 0.00 0.00 -1.05 0.00 0.00 32.46 27.61 2jox n ARG 106 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66