#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n THR 3 N 0.00 0.00 -4.25 1.09 -1.04 -1.26 -4.95 114.28 103.87 3hox n THR 3 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 3hox n THR 3 Cb 0.00 -0.04 -0.08 0.00 -1.82 0.00 0.00 70.33 68.39 3hox n THR 3 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3hox s PHE 4 N 0.23 2.59 0.27 -1.42 5.36 -1.26 -5.06 117.98 118.69 3hox s PHE 4 Ca 0.45 -0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 55.85 3hox s PHE 4 Cb -0.63 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 40.26 3hox s PHE 4 CO 0.29 0.32 0.33 -0.98 -1.46 0.00 0.00 175.22 173.72 3hox s ARG 5 N -3.82 1.57 0.51 10.12 1.70 -1.26 -5.16 118.95 122.61 3hox s ARG 5 Ca 0.38 -1.64 0.05 0.00 -0.47 0.00 0.00 55.73 54.05 3hox s ARG 5 Cb 0.03 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 3hox s ARG 5 CO 0.21 -0.60 0.26 -0.06 -1.08 0.00 0.00 175.30 174.03 3hox s PHE 6 N -3.70 1.90 0.18 5.89 0.40 -1.26 -3.87 117.98 117.53 3hox s PHE 6 Ca 0.33 -0.81 -0.08 0.00 -0.60 0.00 0.00 56.93 55.77 3hox s PHE 6 Cb 0.02 -1.86 -0.06 0.00 0.51 0.00 0.00 43.02 41.63 3hox s PHE 6 CO 0.16 -0.17 0.47 0.00 0.70 0.00 0.00 175.22 176.39 3hox n ARG 8 N 0.07 1.34 0.00 0.00 1.74 -1.26 -2.87 116.66 115.68 3hox n ARG 8 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3hox n ARG 8 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3hox n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hox n ASP 9 N 0.00 0.00 -3.29 0.55 8.00 -1.26 -3.52 116.55 117.03 3hox n ASP 9 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 3hox n ASP 9 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3hox n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox n ASN 11 N 0.06 -0.03 0.00 0.00 2.85 -1.14 -4.82 115.26 112.18 3hox n ASN 11 Ca 0.35 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.81 3hox n ASN 11 Cb 0.35 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.36 3hox n ASN 11 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hox n ASN 12 N 0.15 0.00 -4.71 1.20 5.03 -1.26 -4.96 115.26 110.72 3hox n ASN 12 Ca 0.02 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.23 3hox n ASN 12 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3hox n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hox s MET 13 N 1.73 2.54 -0.10 3.52 -2.45 -1.26 -3.81 119.30 119.47 3hox s MET 13 Ca 0.00 -1.20 -0.03 0.00 -1.25 0.00 0.00 55.69 53.21 3hox s MET 13 Cb 0.00 -2.36 -0.03 0.00 1.25 0.00 0.00 34.83 33.69 3hox s MET 13 CO 0.00 0.41 0.03 -0.51 1.05 0.00 0.00 175.02 176.00 3hox s LEU 14 N -3.47 3.75 -0.39 4.11 1.43 -1.25 -4.53 118.68 118.33 3hox s LEU 14 Ca 0.31 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3hox s LEU 14 Cb -0.08 -1.88 0.11 0.00 0.03 0.00 0.00 46.19 44.38 3hox s LEU 14 CO 0.21 0.37 0.13 -0.31 0.23 0.00 0.00 176.35 176.98 3hox s TYR 15 N -0.81 2.90 0.04 0.29 1.51 -0.51 -4.77 117.35 116.01 3hox s TYR 15 Ca 0.13 -2.66 -0.09 0.00 -1.01 0.00 0.00 57.07 53.43 3hox s TYR 15 Cb -0.12 -2.47 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 3hox s TYR 15 CO 0.03 -0.86 0.20 -0.35 -1.11 0.00 0.00 175.55 173.45 3hox n PRO 16 N 4.04 0.00 -4.32 -1.71 -0.04 -1.26 -4.14 135.00 127.57 3hox n PRO 16 Ca 0.04 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.33 3hox n PRO 16 Cb 0.39 -0.34 -0.10 0.00 -0.04 0.00 0.00 33.50 33.41 3hox n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hox s ARG 17 N -0.22 1.30 -0.10 0.54 1.81 0.46 -4.92 118.95 117.82 3hox s ARG 17 Ca 0.21 -1.64 0.03 0.00 -1.72 0.00 0.00 55.73 52.60 3hox s ARG 17 Cb -0.30 -0.65 0.01 0.00 -0.45 0.00 0.00 34.95 33.56 3hox s ARG 17 CO 0.17 -0.06 -0.19 -2.00 -0.68 0.00 0.00 175.30 172.54 3hox s GLU 18 N -3.84 2.52 -1.03 3.54 2.12 -1.26 -0.58 118.70 120.18 3hox s GLU 18 Ca 0.27 -0.69 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 3hox s GLU 18 Cb 0.05 -2.01 0.14 0.00 0.26 0.00 0.00 34.13 32.57 3hox s GLU 18 CO 0.08 0.05 1.25 0.34 -0.54 0.00 0.00 175.26 176.44 3hox s ASP 19 N 0.65 6.75 0.12 -1.70 2.15 -0.79 -4.83 116.67 119.02 3hox s ASP 19 Ca -0.13 -2.29 -0.31 0.00 0.43 0.00 0.00 52.55 50.25 3hox s ASP 19 Cb -0.16 -2.42 -0.09 0.00 -0.30 0.00 0.00 42.92 39.95 3hox s ASP 19 CO 0.04 -1.00 1.58 0.11 -0.17 0.00 0.00 175.17 175.72 3hox h LYS 20 N 8.37 -0.58 -0.60 4.34 1.57 -1.96 0.46 116.57 128.18 3hox h LYS 20 Ca 0.21 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 3hox h LYS 20 Cb 0.98 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 3hox h LYS 20 CO 1.18 -0.39 -0.35 -1.91 -0.57 0.00 0.00 179.45 177.41 3hox n GLU 21 N -5.46 -0.26 0.00 3.15 2.13 -1.26 -1.82 120.64 117.12 3hox n GLU 21 Ca -0.06 1.24 0.13 0.00 0.66 0.00 0.00 57.16 59.12 3hox n GLU 21 Cb 0.38 -1.83 0.43 0.00 0.27 0.00 0.00 31.44 30.69 3hox n GLU 21 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hox n ASN 22 N -4.36 0.49 -2.46 4.31 3.02 -1.09 -5.01 115.26 110.16 3hox n ASN 22 Ca 0.01 -0.31 -0.05 0.00 -0.03 0.00 0.00 54.58 54.20 3hox n ASN 22 Cb 0.16 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 3hox n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hox n ASN 23 N -1.21 -6.19 -3.57 6.41 4.13 0.16 -5.07 115.26 109.92 3hox n ASN 23 Ca 0.09 0.34 -0.12 0.00 1.68 0.00 0.00 54.58 56.57 3hox n ASN 23 Cb 0.32 -4.10 -0.05 0.00 -1.54 0.00 0.00 39.78 34.41 3hox n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hox s ARG 24 N -2.22 0.68 0.25 3.52 1.70 -1.16 -5.01 118.95 116.71 3hox s ARG 24 Ca 0.16 0.22 -0.25 0.00 -0.47 0.00 0.00 55.73 55.38 3hox s ARG 24 Cb -0.04 0.32 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 3hox s ARG 24 CO 0.54 -0.20 0.86 -1.17 -1.08 0.00 0.00 175.30 174.25 3hox s LEU 25 N -0.99 4.47 -0.19 -1.89 2.96 -1.26 -1.89 118.68 119.89 3hox s LEU 25 Ca -0.03 1.73 -0.04 0.00 -0.22 0.00 0.00 54.13 55.57 3hox s LEU 25 Cb -0.01 -3.66 0.09 0.00 0.50 0.00 0.00 46.19 43.10 3hox s LEU 25 CO 0.03 0.07 0.20 -0.76 -1.32 0.00 0.00 176.35 174.57 3hox s LEU 26 N -1.62 -0.05 0.69 -0.68 1.43 0.25 -0.98 118.68 117.72 3hox s LEU 26 Ca 0.43 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 3hox s LEU 26 Cb -0.21 0.30 0.01 0.00 0.03 0.00 0.00 46.19 46.32 3hox s LEU 26 CO 0.26 -0.32 1.06 -0.36 0.23 0.00 0.00 176.35 177.22 3hox s PHE 27 N 2.30 3.24 0.11 0.29 2.99 -0.66 0.17 117.98 126.42 3hox s PHE 27 Ca 0.06 1.28 -0.26 0.00 0.00 0.00 0.00 56.93 58.00 3hox s PHE 27 Cb -0.15 -2.91 0.08 0.00 0.00 0.00 0.00 43.02 40.03 3hox s PHE 27 CO -0.11 -1.17 0.96 -1.83 -0.00 0.00 0.00 175.22 173.06 3hox s GLU 28 N -5.15 1.06 0.16 0.44 -1.05 -1.26 -2.09 118.70 110.81 3hox s GLU 28 Ca 0.58 -0.55 0.01 0.00 -0.15 0.00 0.00 54.97 54.85 3hox s GLU 28 Cb -0.13 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 3hox s GLU 28 CO 0.54 -0.48 0.32 0.00 0.95 0.00 0.00 175.26 176.59 3hox n ARG 30 N -0.46 1.24 0.00 0.00 1.74 -1.26 -4.48 116.66 113.44 3hox n ARG 30 Ca -0.06 -2.37 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 3hox n ARG 30 Cb 0.53 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3hox n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hox n THR 31 N -1.26 0.00 -3.96 0.55 -1.04 -1.26 -5.07 114.28 102.24 3hox n THR 31 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3hox n THR 31 Cb 0.63 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 3hox n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n SER 33 N -2.10 3.80 -4.51 0.00 7.64 -1.26 -4.58 113.62 112.60 3hox n SER 33 Ca 0.00 -2.21 -0.35 0.00 1.01 0.00 0.00 58.87 57.32 3hox n SER 33 Cb 0.00 -0.43 0.08 0.00 -1.01 0.00 0.00 64.21 62.86 3hox n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n TYR 34 N 0.91 -0.37 -3.49 1.43 9.36 -1.26 -4.88 117.16 118.85 3hox n TYR 34 Ca 0.20 0.35 0.01 0.00 3.32 0.00 0.00 57.90 61.78 3hox n TYR 34 Cb 0.65 -1.95 -0.03 0.00 -0.63 0.00 0.00 39.34 37.37 3hox n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3hox s VAL 35 N -1.96 -0.87 -0.04 2.97 1.01 -1.26 -3.06 120.40 117.19 3hox s VAL 35 Ca 0.67 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.70 3hox s VAL 35 Cb -0.33 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3hox s VAL 35 CO 0.57 0.00 -0.20 -1.83 0.00 0.00 0.00 175.10 173.63 3hox s GLU 36 N 2.81 1.94 0.46 2.72 -1.05 -0.89 -5.01 118.70 119.68 3hox s GLU 36 Ca -0.00 -0.73 -0.23 0.00 -0.15 0.00 0.00 54.97 53.85 3hox s GLU 36 Cb -0.11 -1.73 -0.09 0.00 -0.44 0.00 0.00 34.13 31.75 3hox s GLU 36 CO -0.19 0.36 1.03 -0.85 0.95 0.00 0.00 175.26 176.56 3hox n GLU 37 N 2.88 1.34 -1.54 -4.83 0.28 -1.26 -1.65 120.64 115.86 3hox n GLU 37 Ca -0.17 0.49 -0.36 0.00 -0.16 0.00 0.00 57.16 56.95 3hox n GLU 37 Cb 0.53 -2.12 0.08 0.00 1.43 0.00 0.00 31.44 31.36 3hox n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hox n ALA 38 N -0.71 0.46 -0.01 -1.84 0.00 -0.15 -4.70 120.51 113.55 3hox n ALA 38 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 3hox n ALA 38 Cb 0.41 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 3hox n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hox h GLY 39 N 0.15 0.10 -3.92 0.00 0.00 -1.90 -3.49 103.07 94.00 3hox h GLY 39 Ca -0.49 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 3hox h GLY 39 CO 0.50 0.22 -0.27 -0.45 0.00 0.00 0.00 176.54 176.54 3hox s SER 40 N -6.41 -0.11 0.00 0.19 0.15 -1.26 -5.02 113.70 101.24 3hox s SER 40 Ca -0.10 -0.18 0.21 0.00 0.70 0.00 0.00 55.95 56.58 3hox s SER 40 Cb 0.08 0.34 1.03 0.00 -1.71 0.00 0.00 66.02 65.76 3hox s SER 40 CO 0.81 -0.59 1.67 -0.81 1.20 0.00 0.00 173.24 175.53 3hox n PRO 41 N 0.68 0.24 -2.68 5.44 -0.04 -1.26 -4.54 135.00 132.83 3hox n PRO 41 Ca -0.19 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 3hox n PRO 41 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3hox n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hox s LEU 42 N -2.66 3.71 -0.12 1.53 2.96 -1.26 -4.87 118.68 117.97 3hox s LEU 42 Ca 0.18 -0.79 -0.20 0.00 -0.22 0.00 0.00 54.13 53.10 3hox s LEU 42 Cb 0.14 -2.50 -0.26 0.00 0.50 0.00 0.00 46.19 44.06 3hox s LEU 42 CO 0.33 -1.64 0.60 0.58 -1.32 0.00 0.00 176.35 174.91 3hox h VAL 43 N 6.06 1.24 -3.96 1.68 2.07 -1.98 -3.48 116.25 117.88 3hox h VAL 43 Ca -0.23 -2.38 -0.29 0.00 0.82 0.00 0.00 66.70 64.62 3hox h VAL 43 Cb 1.05 2.85 -0.22 0.00 -1.52 0.00 0.00 31.29 33.46 3hox h VAL 43 CO 1.25 0.63 -0.74 -0.47 0.02 0.00 0.00 177.57 178.26 3hox s TYR 44 N -2.40 0.69 -0.00 1.57 6.14 -1.26 -5.10 117.35 116.99 3hox s TYR 44 Ca -0.20 -0.47 -0.00 0.00 0.64 0.00 0.00 57.07 57.04 3hox s TYR 44 Cb 0.03 -0.41 -0.00 0.00 0.42 0.00 0.00 41.96 41.99 3hox s TYR 44 CO 0.74 -0.07 0.01 0.50 0.64 0.00 0.00 175.55 177.36 3hox s ARG 45 N -1.48 0.05 -0.05 4.97 6.06 -1.26 -5.09 118.95 122.15 3hox s ARG 45 Ca -0.09 -0.07 -0.09 0.00 -2.50 0.00 0.00 55.73 52.98 3hox s ARG 45 Cb -0.09 0.02 -0.03 0.00 0.06 0.00 0.00 34.95 34.90 3hox s ARG 45 CO 0.00 -0.01 -0.18 1.58 -2.50 0.00 0.00 175.30 174.19 3hox n HIS 46 N 2.87 0.00 -2.69 5.12 -0.00 -1.26 -5.12 115.22 114.15 3hox n HIS 46 Ca -0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.56 3hox n HIS 46 Cb 0.59 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.99 30.29 3hox n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3hox n GLU 47 N -3.99 -3.88 0.04 1.57 2.13 -1.26 -5.00 120.64 110.26 3hox n GLU 47 Ca -0.09 3.02 -0.03 0.00 0.66 0.00 0.00 57.16 60.73 3hox n GLU 47 Cb 0.30 -5.26 -0.01 0.00 0.27 0.00 0.00 31.44 26.73 3hox n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hox h LEU 48 N 3.43 -0.16 -7.91 4.31 3.38 -2.08 -3.39 115.31 112.90 3hox h LEU 48 Ca -0.19 0.01 -0.72 0.00 0.09 0.00 0.00 57.88 57.07 3hox h LEU 48 Cb 0.44 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.04 3hox h LEU 48 CO 0.07 0.18 0.77 0.27 0.09 0.00 0.00 178.44 179.82 3hox s ILE 49 N -2.10 4.95 1.05 1.22 -4.36 -1.26 -5.01 121.20 115.68 3hox s ILE 49 Ca -0.03 -1.91 -0.13 0.00 -0.26 0.00 0.00 60.65 58.33 3hox s ILE 49 Cb 0.00 -4.74 0.22 0.00 1.25 0.00 0.00 42.46 39.19 3hox s ILE 49 CO 0.08 -1.43 1.08 -0.89 0.24 0.00 0.00 174.94 174.02 3hox s THR 50 N 2.02 1.98 0.00 8.37 2.01 -1.26 -5.01 115.64 123.75 3hox s THR 50 Ca 0.31 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.31 3hox s THR 50 Cb -0.06 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 70.03 3hox s THR 50 CO -0.08 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.44 3hox n ASN 51 N -4.37 0.01 -4.57 3.53 4.13 -1.26 -5.07 115.26 107.65 3hox n ASN 51 Ca 0.05 -0.23 -0.43 0.00 1.68 0.00 0.00 54.58 55.65 3hox n ASN 51 Cb 0.57 0.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.80 3hox n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3hox s ILE 52 N -0.02 4.29 0.00 2.41 -4.36 -1.26 -2.57 121.20 119.69 3hox s ILE 52 Ca 0.00 0.87 0.00 0.00 -0.26 0.00 0.00 60.65 61.26 3hox s ILE 52 Cb 0.00 -4.56 0.00 0.00 1.25 0.00 0.00 42.46 39.15 3hox s ILE 52 CO 0.00 -1.02 0.00 0.61 0.24 0.00 0.00 174.94 174.77 3hox n GLY 53 N 4.95 0.89 0.40 6.27 0.00 -1.26 -4.95 105.19 111.49 3hox n GLY 53 Ca 0.08 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.37 3hox n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hox h GLU 54 N 0.00 0.27 0.00 1.61 5.08 -1.81 -2.04 114.58 117.69 3hox h GLU 54 Ca 0.00 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3hox h GLU 54 Cb 0.00 -0.06 -0.17 0.00 0.50 0.00 0.00 28.75 29.02 3hox h GLU 54 CO 0.00 0.18 -0.69 2.41 -1.00 0.00 0.00 179.01 179.91 3hox n THR 55 N -4.81 0.52 -1.06 1.13 -1.04 -1.26 -2.13 114.28 105.63 3hox n THR 55 Ca 0.31 -1.16 -0.35 0.00 -2.04 0.00 0.00 64.05 60.82 3hox n THR 55 Cb 1.09 0.53 0.02 0.00 -1.82 0.00 0.00 70.33 70.15 3hox n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n ALA 56 N -0.09 -3.92 -2.10 2.41 0.00 -0.77 -4.23 120.51 111.81 3hox n ALA 56 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hox n ALA 56 Cb 0.89 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3hox n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hox n GLY 57 N 2.69 0.00 2.06 0.00 0.00 -1.26 -4.93 105.19 103.75 3hox n GLY 57 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3hox n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hox n VAL 58 N 1.56 2.12 -0.93 1.61 0.31 -1.26 -5.05 118.33 116.69 3hox n VAL 58 Ca 0.00 -3.72 -0.32 0.00 -0.01 0.00 0.00 64.34 60.28 3hox n VAL 58 Cb 0.14 -0.42 -0.02 0.00 -0.91 0.00 0.00 33.84 32.63 3hox n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hox n VAL 59 N -0.68 1.18 -0.54 2.52 0.31 -1.26 -4.57 118.33 115.28 3hox n VAL 59 Ca 0.32 -0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 3hox n VAL 59 Cb 0.91 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.78 3hox n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hox n GLN 60 N 0.70 1.09 0.00 5.55 -0.06 -1.26 -0.30 117.38 123.10 3hox n GLN 60 Ca 0.12 -0.37 0.00 0.00 -2.00 0.00 0.00 57.00 54.75 3hox n GLN 60 Cb 0.15 -1.51 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 3hox n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hox n ASP 61 N 2.15 1.07 0.00 1.69 8.00 -1.26 -4.63 116.55 123.57 3hox n ASP 61 Ca 0.16 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.37 3hox n ASP 61 Cb 0.51 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 3hox n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox n ILE 62 N -0.91 0.13 -0.04 0.53 3.06 0.59 0.38 119.36 123.11 3hox n ILE 62 Ca 0.00 0.04 0.01 0.00 -2.50 0.00 0.00 62.75 60.30 3hox n ILE 62 Cb 0.00 -1.04 -0.15 0.00 0.54 0.00 0.00 39.64 38.99 3hox n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hox n GLY 63 N -0.93 -1.04 0.07 4.50 0.00 -1.26 -4.26 105.19 102.27 3hox n GLY 63 Ca 0.00 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3hox n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hox n SER 64 N -2.56 0.39 -4.54 1.61 3.41 1.23 -4.75 113.62 108.41 3hox n SER 64 Ca -0.17 -0.26 -0.43 0.00 -0.26 0.00 0.00 58.87 57.76 3hox n SER 64 Cb 0.85 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.67 3hox n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hox s ASP 65 N -2.72 6.39 0.51 4.04 -1.08 -1.11 -4.91 116.67 117.79 3hox s ASP 65 Ca 0.21 -0.19 0.21 0.00 -0.52 0.00 0.00 52.55 52.27 3hox s ASP 65 Cb 0.19 -2.46 1.35 0.00 -1.46 0.00 0.00 42.92 40.54 3hox s ASP 65 CO 0.54 -1.23 2.10 1.55 0.52 0.00 0.00 175.17 178.66 3hox h PRO 66 N 9.30 0.00 -0.46 4.34 0.13 -1.94 -2.96 132.00 140.41 3hox h PRO 66 Ca -0.25 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.01 3hox h PRO 66 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3hox h PRO 66 CO 1.09 0.09 0.35 1.79 -0.23 0.00 0.00 178.00 181.09 3hox h THR 67 N 0.00 0.70 -3.81 1.56 1.35 -1.99 -3.42 112.91 107.29 3hox h THR 67 Ca -0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.38 3hox h THR 67 Cb 0.19 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 3hox h THR 67 CO 0.01 0.00 0.16 -0.76 -0.25 0.00 0.00 175.52 174.68 3hox s LEU 68 N -8.55 4.00 0.42 3.87 1.02 -1.12 -5.07 118.68 113.25 3hox s LEU 68 Ca -0.05 1.36 -0.19 0.00 0.02 0.00 0.00 54.13 55.27 3hox s LEU 68 Cb 0.19 -4.19 -0.10 0.00 0.02 0.00 0.00 46.19 42.11 3hox s LEU 68 CO 0.70 -0.27 0.91 -2.16 0.02 0.00 0.00 176.35 175.55 3hox s PRO 69 N -3.13 4.16 -0.11 1.29 0.04 -1.26 -5.00 135.00 130.99 3hox s PRO 69 Ca 0.56 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 3hox s PRO 69 Cb -0.10 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3hox s PRO 69 CO 0.18 -0.02 -0.00 1.03 0.04 0.00 0.00 177.00 178.23 3hox s ARG 70 N -3.24 3.25 -0.18 4.56 1.81 -1.26 -3.03 118.95 120.86 3hox s ARG 70 Ca 0.60 -0.43 -0.01 0.00 -1.72 0.00 0.00 55.73 54.17 3hox s ARG 70 Cb -0.09 -2.86 -0.00 0.00 -0.45 0.00 0.00 34.95 31.55 3hox s ARG 70 CO 0.16 0.55 -0.12 -1.54 -0.68 0.00 0.00 175.30 173.66 3hox s SER 71 N -0.45 3.78 0.00 0.23 1.04 0.15 -4.98 113.70 113.48 3hox s SER 71 Ca 0.08 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3hox s SER 71 Cb -0.12 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.39 3hox s SER 71 CO 0.02 0.04 0.48 -0.90 0.98 0.00 0.00 173.24 173.86 3hox n ASP 72 N 4.38 0.10 -4.75 7.02 5.75 -1.26 -2.94 116.55 124.85 3hox n ASP 72 Ca -0.19 -1.06 -0.35 0.00 -0.01 0.00 0.00 54.79 53.19 3hox n ASP 72 Cb 0.51 -0.05 0.06 0.00 -1.03 0.00 0.00 41.12 40.61 3hox n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hox s ARG 73 N -1.81 2.67 -0.09 0.11 0.52 -1.26 -4.72 118.95 114.38 3hox s ARG 73 Ca 0.00 1.68 -0.04 0.00 -0.52 0.00 0.00 55.73 56.85 3hox s ARG 73 Cb 0.00 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.53 3hox s ARG 73 CO 0.00 -1.41 0.10 -1.83 0.02 0.00 0.00 175.30 172.18 3hox s GLU 74 N -3.71 3.27 0.98 3.54 4.04 -1.26 -4.04 118.70 121.52 3hox s GLU 74 Ca 0.73 -0.27 -0.13 0.00 0.04 0.00 0.00 54.97 55.35 3hox s GLU 74 Cb -0.27 -3.04 0.18 0.00 0.02 0.00 0.00 34.13 31.02 3hox s GLU 74 CO 0.39 0.73 1.12 0.00 -1.84 0.00 0.00 175.26 175.66 3hox h PRO 76 N -1.78 0.81 0.00 0.00 0.11 -1.96 -3.27 132.00 125.91 3hox h PRO 76 Ca -0.52 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3hox h PRO 76 Cb 1.33 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hox h PRO 76 CO 0.57 0.58 0.00 1.63 -0.21 0.00 0.00 178.00 180.58 3hox n LYS 77 N -4.62 0.00 0.00 1.05 5.02 -1.26 -4.70 118.16 113.65 3hox n LYS 77 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3hox n LYS 77 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 3hox n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hox n HIS 79 N -0.74 -0.73 -1.67 0.00 8.25 -1.23 -4.83 115.22 114.27 3hox n HIS 79 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3hox n HIS 79 Cb 0.00 -1.69 -0.04 0.00 1.12 0.00 0.00 29.99 29.38 3hox n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hox n SER 80 N 0.33 3.90 0.00 0.41 7.64 -1.26 -4.29 113.62 120.34 3hox n SER 80 Ca -0.06 0.94 0.04 0.00 1.01 0.00 0.00 58.87 60.80 3hox n SER 80 Cb 0.19 -1.47 0.26 0.00 -1.01 0.00 0.00 64.21 62.18 3hox n SER 80 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hox n ARG 81 N 6.98 0.85 -3.37 1.43 5.12 -1.26 -3.05 116.66 123.37 3hox n ARG 81 Ca 0.21 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.69 3hox n ARG 81 Cb 0.36 -1.16 -0.09 0.00 -1.16 0.00 0.00 32.46 30.42 3hox n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3hox s GLU 82 N -2.00 3.03 0.01 5.56 2.02 -1.26 -4.09 118.70 121.98 3hox s GLU 82 Ca 0.13 -0.94 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 3hox s GLU 82 Cb 0.06 -4.00 -0.01 0.00 0.10 0.00 0.00 34.13 30.28 3hox s GLU 82 CO 0.10 -0.86 -0.02 -0.80 0.02 0.00 0.00 175.26 173.71 3hox s ASN 83 N 1.90 0.13 -0.47 -0.19 0.01 -1.15 -1.10 114.94 114.07 3hox s ASN 83 Ca 0.09 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 3hox s ASN 83 Cb -0.19 0.06 0.14 0.00 0.41 0.00 0.00 41.25 41.67 3hox s ASN 83 CO 0.11 -0.16 0.28 0.54 -1.51 0.00 0.00 177.10 176.36 3hox s VAL 84 N -0.80 1.48 0.96 1.60 0.11 -1.09 -0.67 120.40 121.98 3hox s VAL 84 Ca -0.09 -2.79 -0.15 0.00 -2.93 0.00 0.00 61.98 56.02 3hox s VAL 84 Cb -0.05 -2.02 0.21 0.00 -1.53 0.00 0.00 36.38 32.98 3hox s VAL 84 CO -0.01 -0.95 1.32 0.72 -3.33 0.00 0.00 175.10 172.85 3hox s PHE 85 N 0.08 1.46 0.00 1.54 -0.00 -1.17 -3.79 117.98 116.10 3hox s PHE 85 Ca 0.20 0.23 0.00 0.00 -0.00 0.00 0.00 56.93 57.37 3hox s PHE 85 Cb -0.18 -4.10 0.00 0.00 -0.00 0.00 0.00 43.02 38.73 3hox s PHE 85 CO -0.04 -2.67 0.00 1.97 -0.00 0.00 0.00 175.22 174.48 3hox n PHE 86 N -3.75 -0.16 -4.52 3.49 1.16 -1.14 -4.43 117.46 108.11 3hox n PHE 86 Ca 0.16 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.49 3hox n PHE 86 Cb 0.59 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.36 3hox n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3hox s GLN 87 N -0.17 1.76 -0.65 3.97 -0.21 -1.26 -1.97 119.66 121.12 3hox s GLN 87 Ca 0.00 -1.94 -0.36 0.00 0.02 0.00 0.00 55.36 53.08 3hox s GLN 87 Cb 0.00 -1.41 -0.18 0.00 1.00 0.00 0.00 33.01 32.42 3hox s GLN 87 CO 0.00 0.01 2.38 0.45 -2.12 0.00 0.00 175.29 176.01 3hox n SER 88 N -0.77 0.99 0.00 5.90 2.88 -1.26 -4.70 113.62 116.67 3hox n SER 88 Ca -0.05 0.34 0.02 0.00 -1.33 0.00 0.00 58.87 57.85 3hox n SER 88 Cb 0.65 -1.04 0.10 0.00 -0.75 0.00 0.00 64.21 63.17 3hox n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hox n GLN 89 N 8.14 0.15 -2.73 -1.46 1.13 -0.91 -4.37 117.38 117.33 3hox n GLN 89 Ca 0.55 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 55.18 3hox n GLN 89 Cb 0.09 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 3hox n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hox s GLN 90 N -2.00 3.29 -1.25 -1.09 0.74 -1.22 -4.82 119.66 113.31 3hox s GLN 90 Ca 0.05 -0.27 -0.08 0.00 0.05 0.00 0.00 55.36 55.11 3hox s GLN 90 Cb 0.02 -4.11 -0.07 0.00 1.10 0.00 0.00 33.01 29.96 3hox s GLN 90 CO 0.04 -1.73 2.51 0.54 -0.55 0.00 0.00 175.29 176.09 3hox n ARG 91 N 8.11 2.84 -4.50 1.67 5.12 -1.26 -4.87 116.66 123.78 3hox n ARG 91 Ca 0.02 -1.82 -0.31 0.00 -1.93 0.00 0.00 57.85 53.81 3hox n ARG 91 Cb 0.48 -2.63 -0.11 0.00 -1.16 0.00 0.00 32.46 29.04 3hox n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hox s ARG 92 N 2.85 2.38 0.27 5.56 3.52 -1.26 -5.04 118.95 127.24 3hox s ARG 92 Ca 0.54 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 55.29 3hox s ARG 92 Cb 0.14 -2.40 0.38 0.00 -1.56 0.00 0.00 34.95 31.52 3hox s ARG 92 CO -0.04 0.58 1.91 1.57 -0.81 0.00 0.00 175.30 178.50 3hox h LYS 93 N 4.44 1.18 -0.00 5.12 -0.00 -2.04 -2.48 116.57 122.78 3hox h LYS 93 Ca -0.48 -0.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.10 3hox h LYS 93 Cb 1.16 -0.27 0.00 0.00 -0.00 0.00 0.00 32.23 33.13 3hox h LYS 93 CO 0.52 0.78 -0.03 -0.40 -0.00 0.00 0.00 179.45 180.32 3hox n ASP 94 N -4.45 0.18 -4.36 7.07 5.75 -1.26 -4.92 116.55 114.56 3hox n ASP 94 Ca 0.13 -0.56 -0.37 0.00 -0.01 0.00 0.00 54.79 53.99 3hox n ASP 94 Cb 0.11 -0.14 0.05 0.00 -1.03 0.00 0.00 41.12 40.12 3hox n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3hox n THR 95 N -1.06 1.18 -3.32 2.12 -1.04 -0.94 -4.99 114.28 106.22 3hox n THR 95 Ca 0.17 -0.43 -0.18 0.00 -2.04 0.00 0.00 64.05 61.57 3hox n THR 95 Cb 0.22 -0.49 -0.00 0.00 -1.82 0.00 0.00 70.33 68.24 3hox n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hox s SER 96 N -1.31 5.82 -0.89 8.00 1.04 -1.26 -5.04 113.70 120.06 3hox s SER 96 Ca 0.61 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.73 3hox s SER 96 Cb -0.36 -1.01 0.34 0.00 0.10 0.00 0.00 66.02 65.09 3hox s SER 96 CO 0.63 -0.55 1.95 0.23 0.98 0.00 0.00 173.24 176.48 3hox n MET 97 N -1.70 3.54 -3.84 4.02 2.81 -1.26 -4.66 117.12 116.02 3hox n MET 97 Ca 0.03 -3.87 -0.34 0.00 -1.81 0.00 0.00 57.70 51.71 3hox n MET 97 Cb 0.59 -2.33 -0.05 0.00 -0.71 0.00 0.00 33.22 30.72 3hox n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hox s VAL 98 N -4.87 5.38 0.35 2.03 1.01 -1.26 -5.08 120.40 117.95 3hox s VAL 98 Ca 0.48 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.29 3hox s VAL 98 Cb 0.37 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 3hox s VAL 98 CO -0.33 0.33 0.75 -0.76 0.00 0.00 0.00 175.10 175.09 3hox s LEU 99 N -1.90 4.00 -0.32 3.92 1.43 -1.26 -4.24 118.68 120.31 3hox s LEU 99 Ca 0.28 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 3hox s LEU 99 Cb -0.13 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.10 3hox s LEU 99 CO 0.18 -0.26 0.06 -0.36 0.23 0.00 0.00 176.35 176.20 3hox s PHE 100 N -2.09 2.72 0.16 0.29 0.40 -0.83 -3.40 117.98 115.23 3hox s PHE 100 Ca 0.54 -2.34 -0.18 0.00 -0.60 0.00 0.00 56.93 54.35 3hox s PHE 100 Cb -0.10 -2.28 -0.07 0.00 0.51 0.00 0.00 43.02 41.08 3hox s PHE 100 CO 0.21 -0.90 0.63 -0.06 0.70 0.00 0.00 175.22 175.79 3hox s PHE 101 N 1.26 3.69 -0.15 0.36 0.40 -0.50 -2.89 117.98 120.14 3hox s PHE 101 Ca 0.09 1.26 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 3hox s PHE 101 Cb -0.18 -2.51 0.02 0.00 0.51 0.00 0.00 43.02 40.86 3hox s PHE 101 CO -0.16 0.44 -0.17 0.08 0.70 0.00 0.00 175.22 176.11 3hox s VAL 102 N -1.38 1.79 0.18 -0.44 1.01 -1.25 -1.75 120.40 118.57 3hox s VAL 102 Ca 0.37 -0.78 -0.32 0.00 0.00 0.00 0.00 61.98 61.25 3hox s VAL 102 Cb -0.17 -1.64 -0.12 0.00 0.00 0.00 0.00 36.38 34.45 3hox s VAL 102 CO 0.20 0.50 1.75 0.00 0.00 0.00 0.00 175.10 177.55 3hox h LEU 104 N 7.20 0.04 -6.33 0.00 3.38 -1.47 -2.16 115.31 115.97 3hox h LEU 104 Ca -0.44 -0.05 -0.78 0.00 0.09 0.00 0.00 57.88 56.70 3hox h LEU 104 Cb 1.21 -0.01 -0.29 0.00 0.09 0.00 0.00 40.66 41.66 3hox h LEU 104 CO 0.95 1.04 0.78 -1.20 0.09 0.00 0.00 178.44 180.10 3hox n SER 105 N -3.36 6.78 0.00 -0.43 7.64 -1.26 -4.54 113.62 118.45 3hox n SER 105 Ca -0.02 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.25 3hox n SER 105 Cb 0.95 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 3hox n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n SER 107 N 0.00 -2.02 -4.61 0.00 7.64 -0.81 -5.01 113.62 108.81 3hox n SER 107 Ca 0.00 -0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.47 3hox n SER 107 Cb 0.00 -1.40 -0.08 0.00 -1.01 0.00 0.00 64.21 61.72 3hox n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hox s HIS 108 N -2.23 3.25 -0.47 1.43 5.65 -1.26 -4.75 115.29 116.91 3hox s HIS 108 Ca 0.00 0.56 -0.24 0.00 0.25 0.00 0.00 55.06 55.63 3hox s HIS 108 Cb -0.00 -2.72 0.03 0.00 -1.18 0.00 0.00 32.58 28.71 3hox s HIS 108 CO 0.00 -0.30 0.87 0.42 -0.65 0.00 0.00 174.74 175.08 3hox s ILE 109 N 2.28 4.53 0.07 0.89 1.01 -1.26 -2.36 121.20 126.37 3hox s ILE 109 Ca 0.20 0.53 0.06 0.00 0.00 0.00 0.00 60.65 61.44 3hox s ILE 109 Cb -0.16 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 3hox s ILE 109 CO 0.10 -0.84 -0.16 0.72 0.00 0.00 0.00 174.94 174.76 3hox s PHE 110 N 3.60 1.38 0.00 3.97 -0.12 -0.71 -4.82 117.98 121.27 3hox s PHE 110 Ca 0.33 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 3hox s PHE 110 Cb -0.11 -0.77 0.00 0.00 -0.63 0.00 0.00 43.02 41.50 3hox s PHE 110 CO 0.24 0.09 0.00 2.41 -0.05 0.00 0.00 175.22 177.91 3hox n THR 111 N 1.32 0.00 -2.43 -4.49 -1.04 -1.26 -1.41 114.28 104.96 3hox n THR 111 Ca -0.20 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.82 3hox n THR 111 Cb 0.54 -1.82 0.01 0.00 -1.82 0.00 0.00 70.33 67.24 3hox n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hox n SER 112 N -2.27 0.56 -4.67 8.00 3.41 -1.22 -4.82 113.62 112.61 3hox n SER 112 Ca 0.00 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 3hox n SER 112 Cb 0.00 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3hox n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hox s ASP 113 N -1.94 6.98 -0.26 4.04 -1.08 -1.26 -4.87 116.67 118.28 3hox s ASP 113 Ca 0.25 1.21 0.13 0.00 -0.52 0.00 0.00 52.55 53.62 3hox s ASP 113 Cb 0.30 -2.47 0.67 0.00 -1.46 0.00 0.00 42.92 39.97 3hox s ASP 113 CO -0.12 -0.42 1.64 0.00 0.52 0.00 0.00 175.17 176.79 3hox n GLN 114 N 5.29 3.50 0.00 4.34 3.00 -1.26 -4.44 117.38 127.80 3hox n GLN 114 Ca 0.05 -3.04 0.00 0.00 -0.01 0.00 0.00 57.00 54.00 3hox n GLN 114 Cb 0.49 -2.07 0.00 0.00 0.00 0.00 0.00 30.24 28.66 3hox n GLN 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3hox n LYS 115 N -0.23 0.00 -4.29 -1.09 5.02 -1.26 -5.10 118.16 111.21 3hox n LYS 115 Ca 0.31 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.30 3hox n LYS 115 Cb 1.16 -0.42 -0.10 0.00 -0.02 0.00 0.00 35.03 35.66 3hox n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hox s ASN 116 N -3.95 4.65 -0.21 4.39 0.01 -1.26 -5.12 114.94 113.45 3hox s ASN 116 Ca 0.00 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 3hox s ASN 116 Cb 0.00 -1.02 0.04 0.00 0.41 0.00 0.00 41.25 40.68 3hox s ASN 116 CO 0.00 0.22 -0.10 -0.54 -1.51 0.00 0.00 177.10 175.17 3hox s LYS 117 N -1.94 2.02 0.49 -0.60 3.01 -1.26 -4.60 119.74 116.86 3hox s LYS 117 Ca 0.21 -0.89 0.08 0.00 -1.01 0.00 0.00 55.97 54.37 3hox s LYS 117 Cb -0.11 -2.46 0.04 0.00 -1.01 0.00 0.00 37.83 34.28 3hox s LYS 117 CO 0.13 -0.45 0.59 1.03 0.51 0.00 0.00 175.35 177.16 3hox s ARG 118 N 1.38 2.51 0.00 1.68 0.52 -1.26 -5.05 118.95 118.72 3hox s ARG 118 Ca -0.02 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 3hox s ARG 118 Cb -0.17 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.75 3hox s ARG 118 CO -0.08 -0.51 0.00 2.41 0.02 0.00 0.00 175.30 177.14 3hox n THR 119 N -1.92 0.00 1.23 0.02 -1.04 -1.26 -5.00 114.28 106.31 3hox n THR 119 Ca 0.09 -0.22 0.13 0.00 -2.04 0.00 0.00 64.05 62.00 3hox n THR 119 Cb 0.61 0.79 0.29 0.00 -1.82 0.00 0.00 70.33 70.21 3hox n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43