#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoy n THR 3 N 0.00 -0.04 -3.35 1.09 -1.04 -1.26 -4.88 114.28 104.80 3hoy n THR 3 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 3hoy n THR 3 Cb 0.00 -0.04 -0.04 0.00 -1.82 0.00 0.00 70.33 68.43 3hoy n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3hoy s PHE 4 N -0.02 3.46 0.32 -1.42 -0.12 -1.26 -5.07 117.98 113.87 3hoy s PHE 4 Ca 0.00 0.73 0.09 0.00 -0.05 0.00 0.00 56.93 57.70 3hoy s PHE 4 Cb -0.00 -2.17 -0.04 0.00 -0.63 0.00 0.00 43.02 40.18 3hoy s PHE 4 CO 0.01 0.20 0.09 0.50 -0.05 0.00 0.00 175.22 175.97 3hoy s ARG 5 N -3.28 2.32 0.26 1.99 3.52 -1.26 -5.11 118.95 117.39 3hoy s ARG 5 Ca 0.45 -1.54 0.10 0.00 -0.13 0.00 0.00 55.73 54.61 3hoy s ARG 5 Cb -0.11 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 3hoy s ARG 5 CO 0.27 0.17 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.80 3hoy s PHE 6 N -2.41 2.57 0.09 5.12 0.40 -1.26 -3.57 117.98 118.92 3hoy s PHE 6 Ca 0.36 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 56.13 3hoy s PHE 6 Cb -0.03 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 3hoy s PHE 6 CO 0.22 0.63 1.01 0.00 0.70 0.00 0.00 175.22 177.78 3hoy s ARG 8 N 0.28 -0.83 0.00 0.00 1.70 -1.26 -0.16 118.95 118.69 3hoy s ARG 8 Ca 0.50 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.84 3hoy s ARG 8 Cb -0.24 -1.63 0.00 0.00 -0.57 0.00 0.00 34.95 32.51 3hoy s ARG 8 CO 0.30 -3.48 0.00 -0.40 -1.08 0.00 0.00 175.30 170.64 3hoy n ASP 9 N -4.62 0.00 0.00 -2.89 5.75 -1.26 -3.79 116.55 109.74 3hoy n ASP 9 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 3hoy n ASP 9 Cb 0.59 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3hoy n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hoy n ASN 11 N -0.80 -0.96 -4.23 0.00 2.85 0.78 -4.96 115.26 107.95 3hoy n ASN 11 Ca 0.00 -0.70 -0.27 0.00 -0.11 0.00 0.00 54.58 53.50 3hoy n ASN 11 Cb 0.00 -0.85 -0.06 0.00 1.24 0.00 0.00 39.78 40.12 3hoy n ASN 11 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hoy n ASN 12 N -1.03 3.17 -4.82 1.20 5.03 -1.25 -4.86 115.26 112.71 3hoy n ASN 12 Ca -0.11 -2.85 -0.30 0.00 0.87 0.00 0.00 54.58 52.18 3hoy n ASN 12 Cb 0.33 0.29 0.06 0.00 -1.02 0.00 0.00 39.78 39.45 3hoy n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hoy s MET 13 N -3.53 2.61 -0.23 3.52 -2.45 -1.26 -1.93 119.30 116.03 3hoy s MET 13 Ca 0.00 0.78 0.00 0.00 -1.25 0.00 0.00 55.69 55.23 3hoy s MET 13 Cb -0.00 -1.97 0.03 0.00 1.25 0.00 0.00 34.83 34.15 3hoy s MET 13 CO 0.00 -1.29 -0.12 -0.51 1.05 0.00 0.00 175.02 174.15 3hoy s LEU 14 N -5.61 2.87 0.21 4.11 1.43 -1.23 -4.57 118.68 115.88 3hoy s LEU 14 Ca 0.59 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 3hoy s LEU 14 Cb -0.14 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 3hoy s LEU 14 CO 0.54 -0.10 0.70 -0.31 0.23 0.00 0.00 176.35 177.42 3hoy s TYR 15 N 1.26 3.66 0.52 0.29 1.51 0.76 -4.67 117.35 120.67 3hoy s TYR 15 Ca -0.00 1.35 -0.18 0.00 -1.01 0.00 0.00 57.07 57.22 3hoy s TYR 15 Cb -0.16 -2.58 -0.07 0.00 -0.11 0.00 0.00 41.96 39.03 3hoy s TYR 15 CO -0.08 0.36 1.02 -1.25 -1.11 0.00 0.00 175.55 174.49 3hoy s PRO 16 N -1.92 3.76 0.08 -1.71 0.04 -1.26 0.21 135.00 134.20 3hoy s PRO 16 Ca 0.42 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3hoy s PRO 16 Cb -0.17 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.31 3hoy s PRO 16 CO 0.21 -0.44 0.41 1.03 0.04 0.00 0.00 177.00 178.25 3hoy s ARG 17 N -3.70 1.00 -0.15 4.56 0.52 0.16 -4.86 118.95 116.48 3hoy s ARG 17 Ca 0.63 -0.52 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 3hoy s ARG 17 Cb -0.13 0.44 -0.02 0.00 0.52 0.00 0.00 34.95 35.76 3hoy s ARG 17 CO 0.27 -0.37 -0.10 -2.00 0.02 0.00 0.00 175.30 173.12 3hoy s GLU 18 N -3.12 3.43 -1.19 3.54 2.12 -1.26 -0.20 118.70 122.01 3hoy s GLU 18 Ca -0.01 -0.65 -0.16 0.00 0.36 0.00 0.00 54.97 54.51 3hoy s GLU 18 Cb 0.01 -2.73 0.14 0.00 0.26 0.00 0.00 34.13 31.81 3hoy s GLU 18 CO -0.07 0.16 1.47 0.34 -0.54 0.00 0.00 175.26 176.62 3hoy s ASP 19 N 0.51 6.95 0.20 -1.70 -1.08 0.09 -4.83 116.67 116.81 3hoy s ASP 19 Ca -0.07 -2.72 -0.14 0.00 -0.52 0.00 0.00 52.55 49.09 3hoy s ASP 19 Cb -0.15 -2.45 0.20 0.00 -1.46 0.00 0.00 42.92 39.06 3hoy s ASP 19 CO 0.04 -0.90 1.64 0.11 0.52 0.00 0.00 175.17 176.57 3hoy h LYS 20 N 7.52 -0.00 -0.85 4.34 1.57 -1.95 0.18 116.57 127.37 3hoy h LYS 20 Ca 0.32 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.23 3hoy h LYS 20 Cb 0.89 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.14 3hoy h LYS 20 CO 1.28 -0.00 0.55 1.49 -0.57 0.00 0.00 179.45 182.20 3hoy h GLU 21 N -0.00 0.66 -0.06 3.15 4.81 -1.97 -2.96 114.58 118.20 3hoy h GLU 21 Ca 0.27 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3hoy h GLU 21 Cb 0.42 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hoy h GLU 21 CO -0.59 0.44 0.00 0.09 -0.73 0.00 0.00 179.01 178.22 3hoy n ASN 22 N -4.53 1.90 -2.91 1.04 3.02 -0.77 -5.03 115.26 107.97 3hoy n ASN 22 Ca 0.16 -1.48 -0.04 0.00 -0.03 0.00 0.00 54.58 53.18 3hoy n ASN 22 Cb 0.43 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 3hoy n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hoy n ASN 23 N 0.42 -6.70 -3.61 6.41 4.13 0.55 -5.05 115.26 111.42 3hoy n ASN 23 Ca 0.06 -0.25 -0.12 0.00 1.68 0.00 0.00 54.58 55.94 3hoy n ASN 23 Cb 0.24 -4.70 -0.05 0.00 -1.54 0.00 0.00 39.78 33.74 3hoy n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hoy s ARG 24 N -3.42 1.03 -0.33 3.52 1.70 -1.15 -5.00 118.95 115.30 3hoy s ARG 24 Ca 0.14 -0.42 -0.17 0.00 -0.47 0.00 0.00 55.73 54.81 3hoy s ARG 24 Cb -0.02 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 3hoy s ARG 24 CO 0.65 -0.38 0.45 -1.17 -1.08 0.00 0.00 175.30 173.77 3hoy s LEU 25 N -2.26 4.29 -0.16 -1.89 2.96 -1.26 -0.73 118.68 119.63 3hoy s LEU 25 Ca -0.03 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3hoy s LEU 25 Cb -0.00 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 3hoy s LEU 25 CO -0.06 -0.38 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.75 3hoy s LEU 26 N 2.24 2.89 0.07 -0.68 1.43 0.72 0.12 118.68 125.46 3hoy s LEU 26 Ca 0.17 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3hoy s LEU 26 Cb -0.16 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3hoy s LEU 26 CO 0.12 0.12 0.36 -0.36 0.23 0.00 0.00 176.35 176.82 3hoy s PHE 27 N 0.65 3.57 0.35 0.29 2.99 -0.59 0.37 117.98 125.61 3hoy s PHE 27 Ca -0.05 0.70 0.02 0.00 0.00 0.00 0.00 56.93 57.61 3hoy s PHE 27 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 43.02 40.77 3hoy s PHE 27 CO 0.03 0.53 0.41 -1.83 -0.00 0.00 0.00 175.22 174.36 3hoy s GLU 28 N -1.96 1.91 0.07 0.44 -1.05 0.13 -1.46 118.70 116.79 3hoy s GLU 28 Ca 0.33 -1.91 0.07 0.00 -0.15 0.00 0.00 54.97 53.31 3hoy s GLU 28 Cb -0.14 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.92 3hoy s GLU 28 CO 0.18 -0.77 -0.16 0.00 0.95 0.00 0.00 175.26 175.47 3hoy n ARG 30 N 1.15 2.65 0.00 0.00 1.74 -1.26 -4.39 116.66 116.55 3hoy n ARG 30 Ca -0.15 -3.62 0.00 0.00 -0.77 0.00 0.00 57.85 53.31 3hoy n ARG 30 Cb 0.52 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 3hoy n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hoy n THR 31 N -0.93 0.00 -3.35 0.55 -1.04 -1.26 -5.08 114.28 103.17 3hoy n THR 31 Ca 0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 3hoy n THR 31 Cb 0.92 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 3hoy n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoy n SER 33 N -0.50 2.57 -4.69 0.00 7.64 -1.26 -4.75 113.62 112.62 3hoy n SER 33 Ca 0.00 -3.33 -0.31 0.00 1.01 0.00 0.00 58.87 56.24 3hoy n SER 33 Cb 0.00 -0.50 0.15 0.00 -1.01 0.00 0.00 64.21 62.85 3hoy n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hoy s TYR 34 N -2.99 1.77 0.15 1.43 5.04 -1.26 -4.92 117.35 116.57 3hoy s TYR 34 Ca 0.37 1.76 -0.24 0.00 -2.44 0.00 0.00 57.07 56.52 3hoy s TYR 34 Cb 0.33 -3.30 0.06 0.00 0.35 0.00 0.00 41.96 39.40 3hoy s TYR 34 CO 0.02 -2.65 0.74 0.08 -1.34 0.00 0.00 175.55 172.39 3hoy s VAL 35 N -2.67 0.00 -0.29 3.14 1.01 -1.26 -3.04 120.40 117.29 3hoy s VAL 35 Ca 0.66 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 3hoy s VAL 35 Cb -0.22 -1.36 0.18 0.00 0.00 0.00 0.00 36.38 34.98 3hoy s VAL 35 CO 0.57 0.00 1.21 -1.83 0.00 0.00 0.00 175.10 175.05 3hoy s GLU 36 N -3.59 0.19 0.24 2.72 -1.05 -0.53 -4.99 118.70 111.68 3hoy s GLU 36 Ca 0.06 0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.85 3hoy s GLU 36 Cb -0.02 0.06 -0.14 0.00 -0.44 0.00 0.00 34.13 33.59 3hoy s GLU 36 CO -0.06 -0.03 1.27 -0.85 0.95 0.00 0.00 175.26 176.54 3hoy n GLU 37 N 2.74 1.71 -1.89 -4.83 0.28 -1.26 -1.55 120.64 115.84 3hoy n GLU 37 Ca -0.15 0.61 -0.41 0.00 -0.16 0.00 0.00 57.16 57.04 3hoy n GLU 37 Cb 0.57 -2.17 -0.01 0.00 1.43 0.00 0.00 31.44 31.26 3hoy n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hoy s ALA 38 N -0.36 3.61 -0.00 -1.84 0.00 0.32 -4.79 121.76 118.69 3hoy s ALA 38 Ca 0.67 1.48 -0.06 0.00 0.00 0.00 0.00 51.96 54.04 3hoy s ALA 38 Cb -0.70 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 18.80 3hoy s ALA 38 CO 0.53 -0.91 0.70 0.78 0.00 0.00 0.00 175.76 176.86 3hoy h GLY 39 N 3.80 -0.22 -2.90 0.00 0.00 -1.89 -3.46 103.07 98.39 3hoy h GLY 39 Ca -0.49 0.08 -0.52 0.00 0.00 0.00 0.00 47.33 46.41 3hoy h GLY 39 CO 0.70 -0.08 -0.55 -0.45 0.00 0.00 0.00 176.54 176.16 3hoy s SER 40 N -2.94 5.37 0.16 0.19 0.15 -1.26 -5.00 113.70 110.37 3hoy s SER 40 Ca -0.03 -0.30 0.23 0.00 0.70 0.00 0.00 55.95 56.55 3hoy s SER 40 Cb 0.00 -1.32 0.90 0.00 -1.71 0.00 0.00 66.02 63.89 3hoy s SER 40 CO 0.09 -0.03 1.71 -0.81 1.20 0.00 0.00 173.24 175.41 3hoy n PRO 41 N -1.09 0.15 -2.39 5.44 -0.04 -1.26 -4.64 135.00 131.17 3hoy n PRO 41 Ca -0.08 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 3hoy n PRO 41 Cb 0.58 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 3hoy n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hoy s LEU 42 N -4.00 3.22 0.17 1.53 2.96 -1.26 -4.85 118.68 116.46 3hoy s LEU 42 Ca 0.08 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3hoy s LEU 42 Cb 0.12 -2.55 0.05 0.00 0.50 0.00 0.00 46.19 44.30 3hoy s LEU 42 CO 0.44 -2.00 1.42 0.58 -1.32 0.00 0.00 176.35 175.47 3hoy h VAL 43 N 6.36 1.39 -1.57 1.68 2.07 -1.97 -3.47 116.25 120.74 3hoy h VAL 43 Ca -0.23 -2.19 0.07 0.00 0.82 0.00 0.00 66.70 65.16 3hoy h VAL 43 Cb 1.08 2.16 -0.27 0.00 -1.52 0.00 0.00 31.29 32.74 3hoy h VAL 43 CO 1.27 0.66 0.48 -0.47 0.02 0.00 0.00 177.57 179.53 3hoy s TYR 44 N -3.56 -0.45 0.08 1.57 5.04 -1.26 -5.06 117.35 113.71 3hoy s TYR 44 Ca -0.05 1.08 0.08 0.00 -2.44 0.00 0.00 57.07 55.73 3hoy s TYR 44 Cb 0.10 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.75 3hoy s TYR 44 CO 0.84 -0.22 -0.20 -0.98 -1.34 0.00 0.00 175.55 173.65 3hoy s ARG 45 N 0.18 1.17 -0.25 4.97 1.70 -1.26 -5.08 118.95 120.37 3hoy s ARG 45 Ca 0.03 -1.07 -0.15 0.00 -0.47 0.00 0.00 55.73 54.08 3hoy s ARG 45 Cb -0.05 -1.37 -0.11 0.00 -0.57 0.00 0.00 34.95 32.86 3hoy s ARG 45 CO -0.07 0.33 -0.34 1.58 -1.08 0.00 0.00 175.30 175.73 3hoy n HIS 46 N 1.35 0.05 -2.77 5.89 -0.00 -1.26 -5.06 115.22 113.41 3hoy n HIS 46 Ca -0.19 0.02 -0.03 0.00 -0.00 0.00 0.00 57.72 57.52 3hoy n HIS 46 Cb 0.54 -0.88 -0.02 0.00 -0.00 0.00 0.00 29.99 29.63 3hoy n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3hoy n GLU 47 N -4.31 -3.38 -0.09 1.57 2.13 -1.26 -5.00 120.64 110.30 3hoy n GLU 47 Ca -0.43 2.68 -0.17 0.00 0.66 0.00 0.00 57.16 59.90 3hoy n GLU 47 Cb 0.78 -4.01 -0.10 0.00 0.27 0.00 0.00 31.44 28.37 3hoy n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hoy h LEU 48 N 4.01 0.00 -6.47 4.31 3.38 -2.08 -3.40 115.31 115.07 3hoy h LEU 48 Ca -0.29 -0.58 -0.77 0.00 0.09 0.00 0.00 57.88 56.33 3hoy h LEU 48 Cb 0.74 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.30 3hoy h LEU 48 CO 0.03 1.23 1.75 -0.38 0.09 0.00 0.00 178.44 181.16 3hoy n ILE 49 N -4.52 4.70 -0.21 1.22 5.41 -1.26 -5.01 119.36 119.69 3hoy n ILE 49 Ca -0.22 -4.79 -0.06 0.00 1.00 0.00 0.00 62.75 58.68 3hoy n ILE 49 Cb 0.55 -2.25 0.06 0.00 -0.71 0.00 0.00 39.64 37.29 3hoy n ILE 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3hoy n THR 50 N 2.63 0.00 -0.51 1.39 -1.04 -1.26 -4.98 114.28 110.50 3hoy n THR 50 Ca 0.39 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 3hoy n THR 50 Cb 0.34 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 3hoy n THR 50 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hoy n ASN 51 N -1.39 0.00 -4.57 8.00 5.15 -1.26 -5.11 115.26 116.09 3hoy n ASN 51 Ca 0.03 -0.06 -0.43 0.00 -0.60 0.00 0.00 54.58 53.52 3hoy n ASN 51 Cb 0.13 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.33 3hoy n ASN 51 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hoy s ILE 52 N 0.00 4.60 0.00 -1.44 -4.36 -1.26 -3.33 121.20 115.41 3hoy s ILE 52 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 60.65 61.12 3hoy s ILE 52 Cb 0.00 -4.34 0.00 0.00 1.25 0.00 0.00 42.46 39.37 3hoy s ILE 52 CO 0.00 -0.67 0.00 0.61 0.24 0.00 0.00 174.94 175.12 3hoy n GLY 53 N 4.79 0.92 0.37 6.27 0.00 -1.26 -5.00 105.19 111.29 3hoy n GLY 53 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 3hoy n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hoy h GLU 54 N 0.00 0.00 -0.42 1.61 5.08 -1.87 -1.38 114.58 117.59 3hoy h GLU 54 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 3hoy h GLU 54 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 3hoy h GLU 54 CO 0.00 0.00 -0.61 2.41 -1.00 0.00 0.00 179.01 179.81 3hoy n THR 55 N -2.78 0.04 -0.40 1.13 -1.04 -1.26 -1.30 114.28 108.67 3hoy n THR 55 Ca 0.05 -2.15 -0.31 0.00 -2.04 0.00 0.00 64.05 59.61 3hoy n THR 55 Cb 0.98 1.03 0.29 0.00 -1.82 0.00 0.00 70.33 70.81 3hoy n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hoy s ALA 56 N -0.45 -0.69 0.00 2.41 0.00 -0.52 -4.51 121.76 118.00 3hoy s ALA 56 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3hoy s ALA 56 Cb 0.34 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3hoy s ALA 56 CO -0.06 -4.58 0.00 0.41 0.00 0.00 0.00 175.76 171.53 3hoy n GLY 57 N 1.30 0.00 1.00 0.00 0.00 -1.26 -4.88 105.19 101.35 3hoy n GLY 57 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3hoy n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hoy n VAL 58 N 0.92 0.89 -1.06 1.61 0.31 -1.26 -5.07 118.33 114.67 3hoy n VAL 58 Ca 0.00 -1.77 -0.40 0.00 -0.01 0.00 0.00 64.34 62.16 3hoy n VAL 58 Cb 0.00 0.44 -0.04 0.00 -0.91 0.00 0.00 33.84 33.33 3hoy n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hoy n VAL 59 N -0.24 0.54 0.00 2.52 0.31 -1.26 -4.54 118.33 115.66 3hoy n VAL 59 Ca 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3hoy n VAL 59 Cb 0.91 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 3hoy n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hoy n GLN 60 N 0.95 0.00 0.00 5.55 -0.06 -1.26 -0.39 117.38 122.17 3hoy n GLN 60 Ca 0.14 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.26 3hoy n GLN 60 Cb 0.10 -1.09 0.11 0.00 -4.06 0.00 0.00 30.24 25.31 3hoy n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hoy n ASP 61 N -0.29 2.85 0.00 1.69 8.00 -1.26 -4.44 116.55 123.09 3hoy n ASP 61 Ca 0.00 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3hoy n ASP 61 Cb 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3hoy n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hoy n ILE 62 N 1.18 0.66 -0.02 0.53 3.06 0.47 0.18 119.36 125.42 3hoy n ILE 62 Ca 0.14 0.29 0.02 0.00 -2.50 0.00 0.00 62.75 60.69 3hoy n ILE 62 Cb 0.58 -1.29 -0.14 0.00 0.54 0.00 0.00 39.64 39.33 3hoy n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hoy n GLY 63 N -1.07 -1.07 0.00 4.50 0.00 -1.26 -4.10 105.19 102.18 3hoy n GLY 63 Ca 0.00 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3hoy n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoy n SER 64 N -2.58 0.00 -4.44 1.61 3.41 0.48 -4.48 113.62 107.62 3hoy n SER 64 Ca -0.14 -0.41 -0.44 0.00 -0.26 0.00 0.00 58.87 57.62 3hoy n SER 64 Cb 0.82 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 3hoy n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hoy s ASP 65 N -2.28 6.44 0.56 4.04 -1.08 -1.23 -4.89 116.67 118.23 3hoy s ASP 65 Ca 0.30 -1.68 0.25 0.00 -0.52 0.00 0.00 52.55 50.90 3hoy s ASP 65 Cb 0.16 -2.38 1.53 0.00 -1.46 0.00 0.00 42.92 40.77 3hoy s ASP 65 CO 0.32 -1.16 2.10 1.55 0.52 0.00 0.00 175.17 178.50 3hoy h PRO 66 N 9.06 0.00 0.00 4.34 0.13 -1.93 -1.25 132.00 142.34 3hoy h PRO 66 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3hoy h PRO 66 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3hoy h PRO 66 CO 1.11 0.00 -0.08 1.79 -0.23 0.00 0.00 178.00 180.60 3hoy h THR 67 N 0.00 0.51 -3.92 1.56 1.35 -1.96 -3.43 112.91 107.03 3hoy h THR 67 Ca 0.10 -0.36 -0.48 0.00 -0.55 0.00 0.00 66.41 65.12 3hoy h THR 67 Cb 0.46 1.23 0.01 0.00 -1.73 0.00 0.00 68.15 68.12 3hoy h THR 67 CO -0.00 0.08 0.41 -0.76 -0.25 0.00 0.00 175.52 174.99 3hoy s LEU 68 N -7.29 4.25 0.72 3.87 1.43 -0.48 -5.05 118.68 116.15 3hoy s LEU 68 Ca -0.03 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 3hoy s LEU 68 Cb 0.14 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.33 3hoy s LEU 68 CO 0.56 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.72 3hoy s PRO 69 N -2.22 2.69 -0.07 1.29 0.04 -1.26 -4.99 135.00 130.49 3hoy s PRO 69 Ca 0.54 0.82 0.03 0.00 0.04 0.00 0.00 61.00 62.43 3hoy s PRO 69 Cb -0.23 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.35 3hoy s PRO 69 CO 0.29 -1.24 -0.16 1.03 0.04 0.00 0.00 177.00 176.97 3hoy s ARG 70 N -5.10 1.99 0.14 4.56 1.81 -1.26 -3.27 118.95 117.83 3hoy s ARG 70 Ca 0.59 -0.55 0.09 0.00 -1.72 0.00 0.00 55.73 54.14 3hoy s ARG 70 Cb -0.14 -1.61 -0.04 0.00 -0.45 0.00 0.00 34.95 32.71 3hoy s ARG 70 CO 0.55 0.10 -0.15 -1.54 -0.68 0.00 0.00 175.30 173.58 3hoy s SER 71 N 0.46 4.02 -0.68 0.23 1.04 -0.93 -4.98 113.70 112.87 3hoy s SER 71 Ca -0.13 -0.58 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 3hoy s SER 71 Cb -0.15 -0.61 0.43 0.00 0.10 0.00 0.00 66.02 65.79 3hoy s SER 71 CO 0.04 0.15 2.04 -0.90 0.98 0.00 0.00 173.24 175.55 3hoy n ASP 72 N 0.48 7.66 -4.97 7.02 5.75 -1.26 -2.82 116.55 128.40 3hoy n ASP 72 Ca -0.13 -3.78 -0.21 0.00 -0.01 0.00 0.00 54.79 50.66 3hoy n ASP 72 Cb 0.54 -0.99 0.03 0.00 -1.03 0.00 0.00 41.12 39.67 3hoy n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hoy s ARG 73 N -3.80 2.61 -0.05 0.11 0.52 -1.26 -4.93 118.95 112.14 3hoy s ARG 73 Ca 0.63 -0.73 0.06 0.00 -0.52 0.00 0.00 55.73 55.17 3hoy s ARG 73 Cb 0.49 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.46 3hoy s ARG 73 CO -0.06 -0.67 -0.23 -1.83 0.02 0.00 0.00 175.30 172.54 3hoy s GLU 74 N -4.75 2.50 1.06 3.54 -1.05 -1.23 -3.77 118.70 115.00 3hoy s GLU 74 Ca 0.56 -0.86 -0.13 0.00 -0.15 0.00 0.00 54.97 54.40 3hoy s GLU 74 Cb -0.10 -2.20 0.23 0.00 -0.44 0.00 0.00 34.13 31.61 3hoy s GLU 74 CO 0.39 0.45 1.07 0.00 0.95 0.00 0.00 175.26 178.12 3hoy h PRO 76 N -2.18 -0.11 0.00 0.00 0.11 -1.98 -3.29 132.00 124.54 3hoy h PRO 76 Ca -0.57 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3hoy h PRO 76 Cb 1.33 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3hoy h PRO 76 CO 0.55 -0.07 0.00 0.36 -0.21 0.00 0.00 178.00 178.62 3hoy n LYS 77 N -5.25 0.00 0.00 1.05 0.00 -1.26 -4.65 118.16 108.04 3hoy n LYS 77 Ca -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3hoy n LYS 77 Cb 0.17 -0.20 0.00 0.00 -0.00 0.00 0.00 35.03 35.01 3hoy n LYS 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hoy n HIS 79 N 0.05 -0.46 -2.54 0.00 8.25 -1.24 -4.83 115.22 114.45 3hoy n HIS 79 Ca 0.00 0.26 -0.40 0.00 -0.26 0.00 0.00 57.72 57.32 3hoy n HIS 79 Cb 0.02 -0.78 -0.05 0.00 1.12 0.00 0.00 29.99 30.30 3hoy n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hoy s SER 80 N -2.15 7.34 -0.56 0.41 0.01 -1.26 -4.65 113.70 112.84 3hoy s SER 80 Ca 0.27 2.15 0.01 0.00 1.31 0.00 0.00 55.95 59.70 3hoy s SER 80 Cb -0.16 -2.62 0.44 0.00 0.21 0.00 0.00 66.02 63.89 3hoy s SER 80 CO 0.40 -0.11 1.68 0.54 0.41 0.00 0.00 173.24 176.16 3hoy n ARG 81 N 1.62 3.06 -3.66 12.44 1.74 -1.25 -2.63 116.66 127.99 3hoy n ARG 81 Ca -0.00 -3.72 -0.26 0.00 -0.77 0.00 0.00 57.85 53.10 3hoy n ARG 81 Cb 0.46 -2.28 -0.17 0.00 -1.02 0.00 0.00 32.46 29.45 3hoy n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hoy s GLU 82 N -3.77 0.25 0.03 5.56 2.02 -1.25 -4.65 118.70 116.89 3hoy s GLU 82 Ca 0.57 -0.16 -0.00 0.00 0.02 0.00 0.00 54.97 55.40 3hoy s GLU 82 Cb 0.46 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 3hoy s GLU 82 CO -0.07 -0.64 -0.03 -0.80 0.02 0.00 0.00 175.26 173.74 3hoy s ASN 83 N 2.05 0.34 -0.34 -0.19 0.01 -1.13 -3.12 114.94 112.56 3hoy s ASN 83 Ca 0.01 -0.68 0.02 0.00 -0.71 0.00 0.00 52.86 51.51 3hoy s ASN 83 Cb -0.16 0.14 0.10 0.00 0.41 0.00 0.00 41.25 41.74 3hoy s ASN 83 CO -0.08 -0.41 0.08 0.54 -1.51 0.00 0.00 177.10 175.72 3hoy s VAL 84 N -2.34 1.81 0.27 1.60 0.11 -1.15 -2.18 120.40 118.52 3hoy s VAL 84 Ca -0.08 -2.10 0.01 0.00 -2.93 0.00 0.00 61.98 56.89 3hoy s VAL 84 Cb -0.04 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 3hoy s VAL 84 CO -0.04 -0.64 0.45 0.72 -3.33 0.00 0.00 175.10 172.25 3hoy s PHE 85 N 1.06 3.48 0.00 1.54 -0.00 -1.20 -3.07 117.98 119.79 3hoy s PHE 85 Ca 0.11 0.25 0.00 0.00 -0.00 0.00 0.00 56.93 57.29 3hoy s PHE 85 Cb -0.19 -1.79 0.00 0.00 -0.00 0.00 0.00 43.02 41.04 3hoy s PHE 85 CO -0.13 0.29 0.00 1.97 -0.00 0.00 0.00 175.22 177.35 3hoy n PHE 86 N -1.31 -0.30 -4.49 3.49 1.16 -0.92 -4.34 117.46 110.74 3hoy n PHE 86 Ca -0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.27 3hoy n PHE 86 Cb 0.56 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.33 3hoy n PHE 86 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 3hoy s GLN 87 N -0.64 1.86 -0.45 3.97 0.74 -1.26 -2.01 119.66 121.86 3hoy s GLN 87 Ca 0.00 -1.87 -0.36 0.00 0.05 0.00 0.00 55.36 53.18 3hoy s GLN 87 Cb 0.00 -1.76 -0.13 0.00 1.10 0.00 0.00 33.01 32.21 3hoy s GLN 87 CO 0.00 0.17 2.25 0.45 -0.55 0.00 0.00 175.29 177.61 3hoy n SER 88 N -0.81 1.71 0.00 6.67 2.88 -1.26 -4.73 113.62 118.08 3hoy n SER 88 Ca -0.05 0.36 0.02 0.00 -1.33 0.00 0.00 58.87 57.87 3hoy n SER 88 Cb 0.63 -1.19 0.09 0.00 -0.75 0.00 0.00 64.21 62.99 3hoy n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hoy n GLN 89 N 8.17 0.14 -2.61 -1.46 1.13 -0.42 -4.44 117.38 117.90 3hoy n GLN 89 Ca 0.46 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 55.10 3hoy n GLN 89 Cb 0.19 -1.34 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 3hoy n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hoy s GLN 90 N -2.00 3.22 -1.02 -1.09 0.74 -1.26 -4.83 119.66 113.42 3hoy s GLN 90 Ca 0.05 -0.28 -0.23 0.00 0.05 0.00 0.00 55.36 54.95 3hoy s GLN 90 Cb 0.02 -4.17 -0.12 0.00 1.10 0.00 0.00 33.01 29.84 3hoy s GLN 90 CO 0.04 -2.03 1.92 0.54 -0.55 0.00 0.00 175.29 175.21 3hoy n ARG 91 N 8.97 1.49 -4.11 1.67 5.12 -1.26 -4.87 116.66 123.68 3hoy n ARG 91 Ca 0.03 -2.21 -0.15 0.00 -1.93 0.00 0.00 57.85 53.59 3hoy n ARG 91 Cb 0.48 -3.44 -0.14 0.00 -1.16 0.00 0.00 32.46 28.21 3hoy n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hoy s ARG 92 N 6.05 0.40 0.04 5.56 3.52 -1.26 -5.07 118.95 128.18 3hoy s ARG 92 Ca 0.65 -0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 55.84 3hoy s ARG 92 Cb 0.05 -0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 33.04 3hoy s ARG 92 CO 0.14 0.09 1.21 0.87 -0.81 0.00 0.00 175.30 176.79 3hoy h LYS 93 N 5.74 -0.30 -1.11 5.12 6.56 -2.04 -2.93 116.57 127.61 3hoy h LYS 93 Ca -0.29 0.02 0.37 0.00 -1.06 0.00 0.00 60.65 59.69 3hoy h LYS 93 Cb 1.20 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 32.78 3hoy h LYS 93 CO 0.48 -0.20 0.67 0.38 -2.06 0.00 0.00 179.45 178.72 3hoy h ASP 94 N -0.31 0.39 -0.60 0.86 2.03 -1.97 -3.44 116.42 113.38 3hoy h ASP 94 Ca -0.01 0.17 -0.42 0.00 -0.73 0.00 0.00 57.03 56.05 3hoy h ASP 94 Cb 0.30 0.14 0.06 0.00 -0.83 0.00 0.00 39.33 38.99 3hoy h ASP 94 CO -0.09 -0.17 -0.23 0.41 -1.03 0.00 0.00 179.24 178.13 3hoy n THR 95 N -4.92 0.92 -2.39 1.15 -1.04 -1.11 -4.96 114.28 101.93 3hoy n THR 95 Ca 0.34 -0.23 -0.26 0.00 -2.04 0.00 0.00 64.05 61.86 3hoy n THR 95 Cb 1.17 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 69.82 3hoy n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hoy s SER 96 N -0.46 3.76 -0.93 8.00 1.04 -1.26 -5.01 113.70 118.84 3hoy s SER 96 Ca 0.42 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 3hoy s SER 96 Cb -0.60 0.09 0.33 0.00 0.10 0.00 0.00 66.02 65.94 3hoy s SER 96 CO 0.34 -2.28 1.72 0.23 0.98 0.00 0.00 173.24 174.23 3hoy n MET 97 N -3.21 4.78 -3.03 4.02 2.81 -1.26 -4.72 117.12 116.53 3hoy n MET 97 Ca 0.17 -4.55 -0.33 0.00 -1.81 0.00 0.00 57.70 51.17 3hoy n MET 97 Cb 0.60 -2.41 -0.06 0.00 -0.71 0.00 0.00 33.22 30.64 3hoy n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hoy s VAL 98 N -4.48 4.55 -0.24 2.03 1.01 -1.26 -5.04 120.40 116.97 3hoy s VAL 98 Ca 0.42 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 3hoy s VAL 98 Cb 0.24 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3hoy s VAL 98 CO -0.17 -0.13 0.11 -0.76 0.00 0.00 0.00 175.10 174.14 3hoy s LEU 99 N -2.81 3.73 -0.47 3.92 1.43 -1.26 -4.03 118.68 119.20 3hoy s LEU 99 Ca 0.54 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 3hoy s LEU 99 Cb -0.12 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.19 3hoy s LEU 99 CO 0.17 0.02 0.37 -0.36 0.23 0.00 0.00 176.35 176.78 3hoy s PHE 100 N 1.32 3.27 0.36 0.29 0.40 -0.85 -2.08 117.98 120.69 3hoy s PHE 100 Ca 0.06 -1.14 -0.08 0.00 -0.60 0.00 0.00 56.93 55.17 3hoy s PHE 100 Cb -0.15 -3.20 -0.06 0.00 0.51 0.00 0.00 43.02 40.13 3hoy s PHE 100 CO 0.05 -0.84 0.68 -0.06 0.70 0.00 0.00 175.22 175.75 3hoy s PHE 101 N 1.58 3.48 -0.00 0.36 0.40 -0.05 -2.16 117.98 121.57 3hoy s PHE 101 Ca 0.04 0.87 0.02 0.00 -0.60 0.00 0.00 56.93 57.26 3hoy s PHE 101 Cb -0.25 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 3hoy s PHE 101 CO 0.05 -0.00 -0.08 0.08 0.70 0.00 0.00 175.22 175.97 3hoy s VAL 102 N -2.27 0.62 0.01 -0.44 1.01 -1.17 -2.80 120.40 115.35 3hoy s VAL 102 Ca 0.48 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3hoy s VAL 102 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3hoy s VAL 102 CO 0.31 0.16 0.90 0.00 0.00 0.00 0.00 175.10 176.47 3hoy n LEU 104 N 3.61 0.92 -3.13 0.00 4.77 -1.18 -2.65 117.00 119.34 3hoy n LEU 104 Ca 0.03 -0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 3hoy n LEU 104 Cb 0.51 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3hoy n LEU 104 CO 0.50 0.18 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.54 3hoy n SER 105 N -0.92 2.98 0.00 -1.43 7.64 -1.26 -4.85 113.62 115.78 3hoy n SER 105 Ca 0.09 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.61 3hoy n SER 105 Cb 0.35 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3hoy n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hoy n SER 107 N 0.00 -2.17 -4.84 0.00 7.64 -1.08 -5.01 113.62 108.16 3hoy n SER 107 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3hoy n SER 107 Cb 0.00 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 62.78 3hoy n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hoy s HIS 108 N -2.00 3.35 -0.77 1.43 5.65 -1.26 -4.75 115.29 116.95 3hoy s HIS 108 Ca 0.00 1.43 -0.02 0.00 0.25 0.00 0.00 55.06 56.72 3hoy s HIS 108 Cb 0.00 -2.71 0.19 0.00 -1.18 0.00 0.00 32.58 28.88 3hoy s HIS 108 CO 0.00 -0.06 0.62 0.42 -0.65 0.00 0.00 174.74 175.06 3hoy s ILE 109 N -2.17 3.98 0.61 0.89 1.01 -1.26 -2.25 121.20 122.01 3hoy s ILE 109 Ca 0.58 -3.54 -0.03 0.00 0.00 0.00 0.00 60.65 57.66 3hoy s ILE 109 Cb -0.10 -3.52 0.04 0.00 0.01 0.00 0.00 42.46 38.89 3hoy s ILE 109 CO 0.17 -1.00 0.89 0.72 0.00 0.00 0.00 174.94 175.72 3hoy s PHE 110 N -0.84 2.99 0.37 3.97 -0.00 -1.12 -4.87 117.98 118.48 3hoy s PHE 110 Ca 0.23 0.32 0.01 0.00 -0.00 0.00 0.00 56.93 57.48 3hoy s PHE 110 Cb -0.12 -2.89 -0.00 0.00 -0.00 0.00 0.00 43.02 40.00 3hoy s PHE 110 CO -0.09 -1.04 0.03 2.41 -0.00 0.00 0.00 175.22 176.53 3hoy n THR 111 N -2.60 0.00 0.01 -4.49 -1.04 -1.26 -0.87 114.28 104.02 3hoy n THR 111 Ca 0.07 -1.83 0.01 0.00 -2.04 0.00 0.00 64.05 60.26 3hoy n THR 111 Cb 0.59 0.43 0.03 0.00 -1.82 0.00 0.00 70.33 69.56 3hoy n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hoy n SER 112 N -1.33 1.90 -4.73 8.00 3.41 -0.88 -4.89 113.62 115.10 3hoy n SER 112 Ca -0.14 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 3hoy n SER 112 Cb 0.49 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3hoy n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hoy s ASP 113 N -0.75 6.52 -0.42 4.04 -1.08 -1.26 -4.87 116.67 118.84 3hoy s ASP 113 Ca 0.05 2.73 0.08 0.00 -0.52 0.00 0.00 52.55 54.88 3hoy s ASP 113 Cb 0.03 -2.60 0.42 0.00 -1.46 0.00 0.00 42.92 39.31 3hoy s ASP 113 CO 0.03 -0.86 1.07 0.00 0.52 0.00 0.00 175.17 175.94 3hoy n GLN 114 N 3.58 2.97 0.00 4.34 6.02 -1.26 -4.76 117.38 128.27 3hoy n GLN 114 Ca 0.13 -4.27 0.00 0.00 -0.01 0.00 0.00 57.00 52.85 3hoy n GLN 114 Cb 0.38 -2.05 0.00 0.00 1.02 0.00 0.00 30.24 29.58 3hoy n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hoy n LYS 115 N -0.39 0.00 -3.15 -1.09 5.02 -1.26 -5.14 118.16 112.15 3hoy n LYS 115 Ca 0.33 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.31 3hoy n LYS 115 Cb 0.68 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.65 3hoy n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hoy s ASN 116 N -1.84 6.58 -0.34 4.39 0.01 -1.26 -5.07 114.94 117.40 3hoy s ASN 116 Ca 0.00 1.02 -0.12 0.00 -0.71 0.00 0.00 52.86 53.05 3hoy s ASN 116 Cb 0.00 -2.27 -0.00 0.00 0.41 0.00 0.00 41.25 39.39 3hoy s ASN 116 CO 0.00 -0.24 0.21 -0.54 -1.51 0.00 0.00 177.10 175.02 3hoy s LYS 117 N -3.36 3.29 -0.14 -0.60 1.02 -1.26 -4.88 119.74 113.81 3hoy s LYS 117 Ca 0.49 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.66 3hoy s LYS 117 Cb -0.11 -3.72 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3hoy s LYS 117 CO 0.26 -0.50 0.03 1.03 -0.92 0.00 0.00 175.35 175.25 3hoy s ARG 118 N 1.65 3.60 0.00 1.68 0.52 -1.26 -4.96 118.95 120.18 3hoy s ARG 118 Ca 0.05 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 3hoy s ARG 118 Cb -0.18 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.26 3hoy s ARG 118 CO 0.08 0.43 0.58 2.41 0.02 0.00 0.00 175.30 178.83 3hoy n THR 119 N 3.00 0.29 0.34 0.02 -1.04 -1.26 -4.95 114.28 110.69 3hoy n THR 119 Ca -0.18 -0.54 0.04 0.00 -2.04 0.00 0.00 64.05 61.33 3hoy n THR 119 Cb 0.53 0.98 0.03 0.00 -1.82 0.00 0.00 70.33 70.06 3hoy n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43