#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3y n THR 3 N 0.00 -7.37 -4.11 12.58 -1.04 -1.26 -5.00 114.28 108.08 3m3y n THR 3 Ca 0.00 2.84 -0.08 0.00 -2.04 0.00 0.00 64.05 64.78 3m3y n THR 3 Cb 0.00 -3.90 -0.10 0.00 -1.82 0.00 0.00 70.33 64.51 3m3y n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3m3y s PHE 4 N -1.73 0.61 0.45 -1.42 -0.12 -1.26 -5.03 117.98 109.48 3m3y s PHE 4 Ca 0.00 -1.07 0.06 0.00 -0.05 0.00 0.00 56.93 55.87 3m3y s PHE 4 Cb 0.00 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 3m3y s PHE 4 CO 0.00 -0.37 0.13 1.03 -0.05 0.00 0.00 175.22 175.96 3m3y s ARG 5 N -3.92 2.16 0.11 1.99 0.52 -1.26 -5.08 118.95 113.45 3m3y s ARG 5 Ca 0.10 -2.06 0.06 0.00 -0.52 0.00 0.00 55.73 53.31 3m3y s ARG 5 Cb 0.08 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 3m3y s ARG 5 CO -0.08 -0.22 -0.15 -0.06 0.02 0.00 0.00 175.30 174.81 3m3y s PHE 6 N -2.71 1.42 0.26 -0.53 0.40 -1.26 -3.21 117.98 112.35 3m3y s PHE 6 Ca 0.31 -0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 3m3y s PHE 6 Cb 0.04 -0.76 -0.11 0.00 0.51 0.00 0.00 43.02 42.71 3m3y s PHE 6 CO 0.17 0.13 1.51 0.00 0.70 0.00 0.00 175.22 177.73 3m3y s ARG 8 N -0.38 4.12 0.00 0.00 1.70 -1.26 -1.79 118.95 121.34 3m3y s ARG 8 Ca 0.61 0.84 0.00 0.00 -0.47 0.00 0.00 55.73 56.71 3m3y s ARG 8 Cb -0.44 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.51 3m3y s ARG 8 CO 0.45 0.14 0.00 -0.25 -1.08 0.00 0.00 175.30 174.56 3m3y n ASP 9 N -0.28 0.00 -0.07 -2.89 8.00 -1.26 -4.60 116.55 115.46 3m3y n ASP 9 Ca 0.04 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.46 3m3y n ASP 9 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.54 3m3y n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m3y n ASN 11 N -2.62 -5.43 -4.54 0.00 5.15 -0.74 -5.01 115.26 102.07 3m3y n ASN 11 Ca -0.23 0.44 -0.25 0.00 -0.60 0.00 0.00 54.58 53.94 3m3y n ASN 11 Cb 0.88 -4.66 0.13 0.00 -0.53 0.00 0.00 39.78 35.59 3m3y n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 3m3y s ASN 12 N -2.72 4.03 0.06 1.20 0.02 -1.26 -4.75 114.94 111.52 3m3y s ASN 12 Ca 0.00 -0.14 -0.10 0.00 -1.02 0.00 0.00 52.86 51.60 3m3y s ASN 12 Cb 0.00 -0.16 -0.06 0.00 0.02 0.00 0.00 41.25 41.05 3m3y s ASN 12 CO 0.00 -2.09 0.37 -0.32 0.02 0.00 0.00 177.10 175.09 3m3y s MET 13 N -5.35 3.74 -0.07 -0.60 0.00 -1.26 -1.11 119.30 114.64 3m3y s MET 13 Ca 0.68 0.14 0.02 0.00 0.00 0.00 0.00 55.69 56.53 3m3y s MET 13 Cb -0.05 -3.03 -0.03 0.00 0.00 0.00 0.00 34.83 31.72 3m3y s MET 13 CO 0.47 0.59 -0.11 -0.48 0.00 0.00 0.00 175.02 175.48 3m3y s LEU 14 N -1.82 2.89 0.08 4.11 0.05 -1.20 -4.69 118.68 118.11 3m3y s LEU 14 Ca 0.31 -0.16 0.04 0.00 0.05 0.00 0.00 54.13 54.38 3m3y s LEU 14 Cb -0.14 -1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 42.35 3m3y s LEU 14 CO 0.17 0.32 0.01 -0.31 -0.55 0.00 0.00 176.35 175.99 3m3y s TYR 15 N -0.55 3.03 0.45 3.48 1.51 -1.14 -4.70 117.35 119.43 3m3y s TYR 15 Ca 0.08 0.00 -0.23 0.00 -1.01 0.00 0.00 57.07 55.90 3m3y s TYR 15 Cb -0.12 -1.56 -0.08 0.00 -0.11 0.00 0.00 41.96 40.10 3m3y s TYR 15 CO 0.02 0.49 1.17 -1.25 -1.11 0.00 0.00 175.55 174.86 3m3y s PRO 16 N -2.26 3.81 -0.15 -1.71 0.04 -1.26 -0.59 135.00 132.87 3m3y s PRO 16 Ca 0.26 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 3m3y s PRO 16 Cb -0.12 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.01 3m3y s PRO 16 CO 0.18 -0.52 0.40 0.50 0.04 0.00 0.00 177.00 177.60 3m3y s ARG 17 N -2.62 0.44 0.13 4.56 3.52 -0.81 -4.91 118.95 119.26 3m3y s ARG 17 Ca 0.62 0.62 -0.28 0.00 -0.13 0.00 0.00 55.73 56.56 3m3y s ARG 17 Cb -0.29 0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 33.18 3m3y s ARG 17 CO 0.36 -0.09 0.88 -2.00 -0.81 0.00 0.00 175.30 173.64 3m3y s GLU 18 N 0.56 4.66 -0.82 5.12 2.12 -1.26 -2.19 118.70 126.89 3m3y s GLU 18 Ca -0.03 1.32 -0.22 0.00 0.36 0.00 0.00 54.97 56.40 3m3y s GLU 18 Cb -0.05 -3.34 0.08 0.00 0.26 0.00 0.00 34.13 31.08 3m3y s GLU 18 CO -0.03 0.35 1.16 0.34 -0.54 0.00 0.00 175.26 176.54 3m3y s ASP 19 N -0.43 6.37 0.23 -1.70 -1.08 -0.09 -4.92 116.67 115.05 3m3y s ASP 19 Ca 0.42 -1.29 -0.07 0.00 -0.52 0.00 0.00 52.55 51.09 3m3y s ASP 19 Cb -0.23 -2.47 0.38 0.00 -1.46 0.00 0.00 42.92 39.14 3m3y s ASP 19 CO 0.28 -1.42 1.69 0.11 0.52 0.00 0.00 175.17 176.35 3m3y h LYS 20 N 9.49 0.24 0.22 4.34 1.79 -1.94 -1.24 116.57 129.46 3m3y h LYS 20 Ca -0.06 -0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.05 3m3y h LYS 20 Cb 1.04 -0.05 0.02 0.00 -1.58 0.00 0.00 32.23 31.66 3m3y h LYS 20 CO 1.23 0.16 -1.64 1.05 -1.08 0.00 0.00 179.45 179.17 3m3y h GLU 21 N 0.25 0.46 -0.00 3.15 4.11 -1.97 -3.32 114.58 117.26 3m3y h GLU 21 Ca 0.37 -0.78 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3m3y h GLU 21 Cb 0.60 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3m3y h GLU 21 CO -0.48 1.37 -0.43 0.09 0.07 0.00 0.00 179.01 179.63 3m3y n ASN 22 N -3.64 0.49 -2.52 3.06 4.13 -1.18 -4.99 115.26 110.62 3m3y n ASN 22 Ca -0.21 -0.24 -0.10 0.00 1.68 0.00 0.00 54.58 55.71 3m3y n ASN 22 Cb 1.09 0.17 0.05 0.00 -1.54 0.00 0.00 39.78 39.55 3m3y n ASN 22 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3m3y n ASN 23 N -1.43 -2.83 -4.02 6.41 4.13 -0.48 -5.06 115.26 111.97 3m3y n ASN 23 Ca 0.06 -0.40 -0.09 0.00 1.68 0.00 0.00 54.58 55.84 3m3y n ASN 23 Cb 0.34 -3.36 -0.09 0.00 -1.54 0.00 0.00 39.78 35.13 3m3y n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m3y s ARG 24 N -4.56 0.89 -0.18 3.52 1.70 -1.21 -5.01 118.95 114.11 3m3y s ARG 24 Ca 0.08 -1.21 -0.14 0.00 -0.47 0.00 0.00 55.73 53.99 3m3y s ARG 24 Cb -0.01 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 3m3y s ARG 24 CO 0.45 -0.27 0.30 -1.17 -1.08 0.00 0.00 175.30 173.53 3m3y s LEU 25 N -2.95 4.21 -0.10 -1.89 2.96 -1.26 -0.91 118.68 118.73 3m3y s LEU 25 Ca 0.14 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.51 3m3y s LEU 25 Cb 0.06 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.40 3m3y s LEU 25 CO -0.04 0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.21 3m3y s LEU 26 N 0.72 1.17 0.08 -0.68 1.43 -0.93 -1.48 118.68 118.99 3m3y s LEU 26 Ca 0.16 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 3m3y s LEU 26 Cb -0.13 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 3m3y s LEU 26 CO 0.05 -0.11 0.87 -0.36 0.23 0.00 0.00 176.35 177.03 3m3y s PHE 27 N 1.61 3.78 -0.07 0.29 0.40 -0.67 -1.92 117.98 121.40 3m3y s PHE 27 Ca 0.03 1.66 -0.03 0.00 -0.60 0.00 0.00 56.93 57.99 3m3y s PHE 27 Cb -0.13 -2.95 0.04 0.00 0.51 0.00 0.00 43.02 40.49 3m3y s PHE 27 CO -0.06 0.24 0.14 -1.83 0.70 0.00 0.00 175.22 174.41 3m3y s GLU 28 N -0.05 0.05 0.41 0.44 4.04 0.24 -1.64 118.70 122.19 3m3y s GLU 28 Ca 0.43 0.45 -0.24 0.00 0.04 0.00 0.00 54.97 55.65 3m3y s GLU 28 Cb -0.22 -0.24 -0.09 0.00 0.02 0.00 0.00 34.13 33.60 3m3y s GLU 28 CO 0.27 -0.24 1.05 0.00 -1.84 0.00 0.00 175.26 174.50 3m3y n ARG 30 N -0.15 3.39 -0.08 0.00 0.00 -1.26 -4.44 116.66 114.11 3m3y n ARG 30 Ca 0.05 -4.09 -0.14 0.00 -0.00 0.00 0.00 57.85 53.67 3m3y n ARG 30 Cb 0.50 -2.27 -0.07 0.00 -0.00 0.00 0.00 32.46 30.62 3m3y n ARG 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3m3y n THR 31 N -0.67 0.91 -4.36 8.89 -1.04 -1.26 -5.06 114.28 111.69 3m3y n THR 31 Ca 0.46 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.05 61.99 3m3y n THR 31 Cb 0.80 -1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 3m3y n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m3y h SER 33 N 0.93 -0.75 0.00 0.00 0.02 -1.98 -3.41 113.55 108.36 3m3y h SER 33 Ca -0.22 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3m3y h SER 33 Cb 0.77 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3m3y h SER 33 CO 0.35 -0.38 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 3m3y n TYR 34 N -5.25 0.00 -3.67 3.45 9.36 -1.26 -4.25 117.16 115.54 3m3y n TYR 34 Ca -0.11 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.96 3m3y n TYR 34 Cb 0.35 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.92 3m3y n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3m3y s VAL 35 N 0.00 -0.32 0.28 2.97 1.01 -1.26 -2.55 120.40 120.52 3m3y s VAL 35 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.37 3m3y s VAL 35 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3m3y s VAL 35 CO 0.00 0.13 0.07 -1.83 0.00 0.00 0.00 175.10 173.47 3m3y s GLU 36 N 2.28 2.45 0.45 2.72 -1.05 -0.65 -4.99 118.70 119.90 3m3y s GLU 36 Ca 0.01 -1.36 -0.16 0.00 -0.15 0.00 0.00 54.97 53.31 3m3y s GLU 36 Cb -0.12 -2.25 -0.08 0.00 -0.44 0.00 0.00 34.13 31.24 3m3y s GLU 36 CO -0.07 0.32 0.90 -1.83 0.95 0.00 0.00 175.26 175.53 3m3y s GLU 37 N -3.75 3.98 0.34 -4.83 -1.05 -1.26 -1.67 118.70 110.46 3m3y s GLU 37 Ca 0.33 0.85 -0.27 0.00 -0.15 0.00 0.00 54.97 55.73 3m3y s GLU 37 Cb -0.06 -2.24 -0.09 0.00 -0.44 0.00 0.00 34.13 31.30 3m3y s GLU 37 CO 0.22 -0.12 1.05 0.00 0.95 0.00 0.00 175.26 177.36 3m3y s ALA 38 N -2.40 3.24 -0.05 -0.84 0.00 -0.55 -4.77 121.76 116.39 3m3y s ALA 38 Ca 0.57 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 53.10 3m3y s ALA 38 Cb -0.10 -3.28 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 3m3y s ALA 38 CO 0.26 -0.13 0.78 0.78 0.00 0.00 0.00 175.76 177.45 3m3y h GLY 39 N 3.18 -0.27 -4.77 0.00 0.00 -1.95 -3.47 103.07 95.78 3m3y h GLY 39 Ca -0.47 0.10 -0.26 0.00 0.00 0.00 0.00 47.33 46.69 3m3y h GLY 39 CO 0.65 -0.10 -0.73 -1.35 0.00 0.00 0.00 176.54 175.01 3m3y s SER 40 N -5.40 0.79 0.00 0.19 1.04 -1.26 -5.05 113.70 104.01 3m3y s SER 40 Ca -0.11 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 55.84 3m3y s SER 40 Cb 0.00 0.04 0.32 0.00 0.10 0.00 0.00 66.02 66.49 3m3y s SER 40 CO 0.42 -0.22 1.19 -0.81 0.98 0.00 0.00 173.24 174.80 3m3y n PRO 41 N 1.46 0.03 -1.99 4.02 -0.04 -1.26 -4.64 135.00 132.59 3m3y n PRO 41 Ca -0.23 0.33 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 3m3y n PRO 41 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 3m3y n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3m3y s LEU 42 N -2.87 4.31 -0.21 1.53 2.96 -1.26 -4.85 118.68 118.29 3m3y s LEU 42 Ca 0.04 2.24 -0.09 0.00 -0.22 0.00 0.00 54.13 56.11 3m3y s LEU 42 Cb 0.05 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 43.01 3m3y s LEU 42 CO 0.12 -0.95 0.01 0.52 -1.32 0.00 0.00 176.35 174.73 3m3y n VAL 43 N 5.52 1.59 -3.92 1.68 0.31 -1.26 -4.99 118.33 117.26 3m3y n VAL 43 Ca 0.18 -0.44 -0.10 0.00 -0.01 0.00 0.00 64.34 63.96 3m3y n VAL 43 Cb 0.43 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 3m3y n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3m3y s TYR 44 N -2.50 0.17 -0.19 3.52 5.04 -1.26 -4.98 117.35 117.15 3m3y s TYR 44 Ca -0.31 -0.40 -0.10 0.00 -2.44 0.00 0.00 57.07 53.82 3m3y s TYR 44 Cb 0.09 -0.13 0.07 0.00 0.35 0.00 0.00 41.96 42.34 3m3y s TYR 44 CO 0.62 -0.30 0.46 0.50 -1.34 0.00 0.00 175.55 175.49 3m3y s ARG 45 N -2.00 0.44 -0.18 4.97 3.52 -1.26 -4.95 118.95 119.48 3m3y s ARG 45 Ca -0.10 0.89 -0.15 0.00 -0.13 0.00 0.00 55.73 56.23 3m3y s ARG 45 Cb -0.05 0.04 -0.07 0.00 -1.56 0.00 0.00 34.95 33.31 3m3y s ARG 45 CO -0.02 -0.17 -0.25 1.58 -0.81 0.00 0.00 175.30 175.64 3m3y n HIS 46 N 4.38 0.38 -2.50 5.12 -0.00 -1.26 -4.97 115.22 116.37 3m3y n HIS 46 Ca -0.21 0.16 -0.05 0.00 -0.00 0.00 0.00 57.72 57.62 3m3y n HIS 46 Cb 0.55 -0.71 -0.04 0.00 -0.00 0.00 0.00 29.99 29.80 3m3y n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3m3y n GLU 47 N -4.48 -4.51 -0.07 1.57 2.13 -1.26 -4.97 120.64 109.05 3m3y n GLU 47 Ca -0.19 3.39 -0.04 0.00 0.66 0.00 0.00 57.16 60.98 3m3y n GLU 47 Cb 0.51 -4.84 -0.16 0.00 0.27 0.00 0.00 31.44 27.21 3m3y n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3m3y n LEU 48 N 1.65 0.00 -4.18 4.31 4.77 -1.26 -4.69 117.00 117.60 3m3y n LEU 48 Ca -0.35 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.26 3m3y n LEU 48 Cb 0.54 0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 41.86 3m3y n LEU 48 CO 0.33 0.35 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.86 3m3y s ILE 49 N -2.79 3.37 0.12 -0.08 1.01 -1.26 -5.11 121.20 116.47 3m3y s ILE 49 Ca -0.09 -1.58 0.09 0.00 0.00 0.00 0.00 60.65 59.07 3m3y s ILE 49 Cb 0.08 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3m3y s ILE 49 CO 0.85 -0.37 -0.17 0.42 0.00 0.00 0.00 174.94 175.66 3m3y s THR 50 N 1.26 2.86 -0.24 2.92 -4.23 -1.26 -5.04 115.64 111.91 3m3y s THR 50 Ca 0.01 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 3m3y s THR 50 Cb -0.21 -2.32 -0.16 0.00 1.34 0.00 0.00 72.50 71.14 3m3y s THR 50 CO -0.01 0.08 -0.10 0.59 -0.54 0.00 0.00 174.62 174.64 3m3y n ASN 51 N 0.72 1.95 -4.35 3.99 3.02 -1.26 -5.01 115.26 114.32 3m3y n ASN 51 Ca -0.15 0.28 -0.62 0.00 -0.03 0.00 0.00 54.58 54.05 3m3y n ASN 51 Cb 0.53 -0.81 -0.09 0.00 -0.61 0.00 0.00 39.78 38.80 3m3y n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m3y n ILE 52 N -4.07 0.00 0.00 2.41 0.13 -1.26 -1.95 119.36 114.61 3m3y n ILE 52 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.20 3m3y n ILE 52 Cb 0.86 -0.46 0.00 0.00 -0.84 0.00 0.00 39.64 39.20 3m3y n ILE 52 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3m3y n GLY 53 N 3.89 0.85 0.00 4.50 0.00 -1.26 -4.97 105.19 108.20 3m3y n GLY 53 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3m3y n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m3y n GLU 54 N -0.71 0.00 -1.52 1.61 1.02 -0.82 -2.37 120.64 117.84 3m3y n GLU 54 Ca 0.00 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.63 3m3y n GLU 54 Cb 0.00 -0.31 -0.07 0.00 -0.02 0.00 0.00 31.44 31.05 3m3y n GLU 54 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3m3y n THR 55 N -0.04 0.27 -3.55 2.62 5.66 -1.26 -3.01 114.28 114.97 3m3y n THR 55 Ca 0.00 -0.22 -0.01 0.00 -3.05 0.00 0.00 64.05 60.77 3m3y n THR 55 Cb 0.00 -1.67 -0.04 0.00 -1.55 0.00 0.00 70.33 67.06 3m3y n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3m3y s ALA 56 N 6.41 -1.96 -0.30 1.79 0.00 -1.26 -4.86 121.76 121.58 3m3y s ALA 56 Ca 1.05 2.11 -0.02 0.00 0.00 0.00 0.00 51.96 55.10 3m3y s ALA 56 Cb -0.83 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3m3y s ALA 56 CO 0.51 -1.00 0.26 0.41 0.00 0.00 0.00 175.76 175.95 3m3y n GLY 57 N 5.44 0.60 3.57 0.00 0.00 -1.26 -4.99 105.19 108.54 3m3y n GLY 57 Ca -0.09 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 3m3y n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m3y s VAL 58 N -3.07 4.47 -0.02 1.61 1.01 -1.26 -4.91 120.40 118.23 3m3y s VAL 58 Ca 0.12 0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.95 3m3y s VAL 58 Cb -0.05 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.90 3m3y s VAL 58 CO 0.16 -0.81 -0.07 -0.69 0.00 0.00 0.00 175.10 173.69 3m3y s VAL 59 N 3.75 0.64 -0.41 2.92 1.01 -1.26 -5.02 120.40 122.04 3m3y s VAL 59 Ca 0.38 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3m3y s VAL 59 Cb -0.10 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3m3y s VAL 59 CO 0.26 0.20 0.85 1.67 0.00 0.00 0.00 175.10 178.07 3m3y n GLN 60 N 3.19 0.02 0.00 2.72 -0.06 -1.26 0.39 117.38 122.37 3m3y n GLN 60 Ca -0.17 0.31 0.10 0.00 -2.00 0.00 0.00 57.00 55.25 3m3y n GLN 60 Cb 0.55 -1.81 -0.04 0.00 -4.06 0.00 0.00 30.24 24.88 3m3y n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3m3y n ASP 61 N -1.40 1.69 -0.41 1.69 8.00 -1.26 -4.51 116.55 120.34 3m3y n ASP 61 Ca -0.00 -1.34 0.34 0.00 0.71 0.00 0.00 54.79 54.49 3m3y n ASP 61 Cb 0.27 0.64 0.63 0.00 -0.02 0.00 0.00 41.12 42.63 3m3y n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3m3y h ILE 62 N 1.67 0.25 -0.51 0.53 2.10 -0.42 0.11 117.51 121.24 3m3y h ILE 62 Ca 0.00 -0.05 0.10 0.00 1.08 0.00 0.00 64.86 65.99 3m3y h ILE 62 Cb 0.66 0.08 -0.10 0.00 -1.09 0.00 0.00 36.82 36.37 3m3y h ILE 62 CO 0.00 0.03 -0.24 1.23 -1.08 0.00 0.00 178.15 178.09 3m3y h GLY 63 N 0.16 0.10 -1.59 8.18 0.00 -1.80 -2.39 103.07 105.74 3m3y h GLY 63 Ca 0.74 0.31 0.00 0.00 0.00 0.00 0.00 47.33 48.38 3m3y h GLY 63 CO -0.33 -0.22 0.00 -1.14 0.00 0.00 0.00 176.54 174.86 3m3y n SER 64 N -5.42 2.14 -4.63 0.19 3.41 0.40 -4.71 113.62 105.00 3m3y n SER 64 Ca 0.04 -2.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.01 3m3y n SER 64 Cb 0.33 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3m3y n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m3y s ASP 65 N -0.26 6.77 0.00 4.04 -1.08 -0.90 -4.92 116.67 120.31 3m3y s ASP 65 Ca 0.14 0.89 0.25 0.00 -0.52 0.00 0.00 52.55 53.31 3m3y s ASP 65 Cb 0.10 -2.43 0.51 0.00 -1.46 0.00 0.00 42.92 39.65 3m3y s ASP 65 CO 0.04 -0.56 1.41 -2.65 0.52 0.00 0.00 175.17 173.93 3m3y n PRO 66 N 6.10 0.39 0.16 4.34 -0.02 -1.26 -3.53 135.00 141.18 3m3y n PRO 66 Ca 0.05 -0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.33 3m3y n PRO 66 Cb 0.48 -1.49 0.20 0.00 -0.02 0.00 0.00 33.50 32.67 3m3y n PRO 66 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3m3y h THR 67 N 0.59 0.91 -3.66 3.45 1.35 -1.97 -3.46 112.91 110.13 3m3y h THR 67 Ca 0.00 -1.87 -0.50 0.00 -0.55 0.00 0.00 66.41 63.49 3m3y h THR 67 Cb 0.52 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 3m3y h THR 67 CO 0.00 0.44 0.38 -0.76 -0.25 0.00 0.00 175.52 175.33 3m3y s LEU 68 N -6.81 4.56 1.02 3.87 1.43 -1.23 -5.04 118.68 116.49 3m3y s LEU 68 Ca 0.02 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 3m3y s LEU 68 Cb 0.10 -3.60 0.20 0.00 0.03 0.00 0.00 46.19 42.91 3m3y s LEU 68 CO 0.71 -0.00 1.11 -2.16 0.23 0.00 0.00 176.35 176.24 3m3y s PRO 69 N -0.64 0.23 -0.01 1.29 0.04 -1.26 -4.86 135.00 129.79 3m3y s PRO 69 Ca 0.45 0.32 0.01 0.00 0.04 0.00 0.00 61.00 61.81 3m3y s PRO 69 Cb -0.26 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3m3y s PRO 69 CO 0.32 -2.82 -0.02 1.03 0.04 0.00 0.00 177.00 175.56 3m3y s ARG 70 N -5.14 0.22 0.63 4.56 0.52 -1.26 -3.07 118.95 115.41 3m3y s ARG 70 Ca 0.66 -0.04 0.05 0.00 -0.52 0.00 0.00 55.73 55.89 3m3y s ARG 70 Cb -0.16 -0.27 0.10 0.00 0.52 0.00 0.00 34.95 35.14 3m3y s ARG 70 CO 0.56 -0.00 0.86 -1.54 0.02 0.00 0.00 175.30 175.20 3m3y s SER 71 N 0.25 4.82 -0.58 0.23 1.04 -1.26 -5.02 113.70 113.18 3m3y s SER 71 Ca -0.02 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3m3y s SER 71 Cb -0.05 0.10 0.48 0.00 0.10 0.00 0.00 66.02 66.65 3m3y s SER 71 CO -0.01 -1.52 1.89 -0.90 0.98 0.00 0.00 173.24 173.68 3m3y n ASP 72 N -2.47 6.74 -4.73 7.02 5.75 -1.26 -4.71 116.55 122.89 3m3y n ASP 72 Ca 0.15 -3.77 -0.35 0.00 -0.01 0.00 0.00 54.79 50.81 3m3y n ASP 72 Cb 0.61 -0.87 -0.09 0.00 -1.03 0.00 0.00 41.12 39.75 3m3y n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3m3y s ARG 73 N -3.72 3.29 0.24 0.11 0.52 -1.26 -5.04 118.95 113.09 3m3y s ARG 73 Ca 0.62 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.19 3m3y s ARG 73 Cb 0.49 -2.98 -0.13 0.00 0.52 0.00 0.00 34.95 32.85 3m3y s ARG 73 CO 0.01 0.65 1.49 0.39 0.02 0.00 0.00 175.30 177.85 3m3y n GLU 74 N 2.35 2.24 -2.67 3.54 1.02 -1.26 -4.22 120.64 121.63 3m3y n GLU 74 Ca -0.19 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.33 3m3y n GLU 74 Cb 0.54 -2.51 -0.03 0.00 -0.02 0.00 0.00 31.44 29.42 3m3y n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m3y h PRO 76 N 6.99 0.00 0.00 0.00 0.10 -1.94 -1.65 132.00 135.51 3m3y h PRO 76 Ca -0.35 0.00 -0.07 0.00 0.10 0.00 0.00 66.00 65.68 3m3y h PRO 76 Cb 1.18 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.27 3m3y h PRO 76 CO 0.81 0.00 -1.23 1.17 0.10 0.00 0.00 178.00 178.85 3m3y n LYS 77 N -3.33 0.09 0.08 1.05 0.00 -1.26 -4.69 118.16 110.11 3m3y n LYS 77 Ca 0.19 0.03 -0.22 0.00 0.00 0.00 0.00 58.31 58.32 3m3y n LYS 77 Cb 1.31 -0.82 -0.15 0.00 0.00 0.00 0.00 35.03 35.37 3m3y n LYS 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3m3y n HIS 79 N -3.57 0.00 -2.84 0.00 8.25 -0.62 -5.00 115.22 111.44 3m3y n HIS 79 Ca -0.21 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.89 3m3y n HIS 79 Cb 1.07 -1.35 -0.06 0.00 1.12 0.00 0.00 29.99 30.77 3m3y n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3m3y s SER 80 N -2.88 7.22 -0.36 0.41 0.15 -1.26 -4.65 113.70 112.33 3m3y s SER 80 Ca 0.00 1.74 0.08 0.00 0.70 0.00 0.00 55.95 58.47 3m3y s SER 80 Cb 0.00 -2.55 0.69 0.00 -1.71 0.00 0.00 66.02 62.45 3m3y s SER 80 CO 0.00 -0.11 1.80 0.54 1.20 0.00 0.00 173.24 176.67 3m3y n ARG 81 N 0.35 2.97 -4.18 5.44 1.74 -1.26 -1.18 116.66 120.54 3m3y n ARG 81 Ca 0.02 -3.07 -0.34 0.00 -0.77 0.00 0.00 57.85 53.69 3m3y n ARG 81 Cb 0.51 -2.15 -0.11 0.00 -1.02 0.00 0.00 32.46 29.69 3m3y n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3m3y s GLU 82 N -3.13 3.77 0.16 5.56 0.41 -1.26 -4.65 118.70 119.56 3m3y s GLU 82 Ca 0.54 -0.46 -0.24 0.00 -0.41 0.00 0.00 54.97 54.41 3m3y s GLU 82 Cb 0.45 -3.07 0.07 0.00 -1.78 0.00 0.00 34.13 29.80 3m3y s GLU 82 CO 0.11 0.19 1.02 0.54 -0.49 0.00 0.00 175.26 176.63 3m3y s ASN 83 N 0.53 -0.08 0.04 -0.19 6.03 -1.26 -1.65 114.94 118.36 3m3y s ASN 83 Ca -0.00 -0.54 -0.08 0.00 -1.03 0.00 0.00 52.86 51.21 3m3y s ASN 83 Cb -0.14 0.48 0.00 0.00 -3.03 0.00 0.00 41.25 38.56 3m3y s ASN 83 CO 0.02 -0.93 0.17 0.54 -2.03 0.00 0.00 177.10 174.87 3m3y s VAL 84 N -2.67 0.11 0.27 3.54 0.11 -1.13 -4.07 120.40 116.56 3m3y s VAL 84 Ca 0.17 -0.94 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 3m3y s VAL 84 Cb -0.02 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 3m3y s VAL 84 CO 0.04 -0.52 0.51 0.72 -3.33 0.00 0.00 175.10 172.51 3m3y s PHE 85 N -2.57 0.39 -0.05 1.54 -0.12 -1.17 -2.17 117.98 113.83 3m3y s PHE 85 Ca -0.05 -0.76 -0.31 0.00 -0.05 0.00 0.00 56.93 55.76 3m3y s PHE 85 Cb -0.01 0.23 0.11 0.00 -0.63 0.00 0.00 43.02 42.72 3m3y s PHE 85 CO -0.04 -1.05 1.10 -0.59 -0.05 0.00 0.00 175.22 174.59 3m3y s PHE 86 N -3.83 -0.17 0.60 3.49 -0.12 -1.09 -4.35 117.98 112.50 3m3y s PHE 86 Ca 0.22 0.05 -0.05 0.00 -0.05 0.00 0.00 56.93 57.10 3m3y s PHE 86 Cb -0.01 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 3m3y s PHE 86 CO 0.10 -0.40 0.89 -0.65 -0.05 0.00 0.00 175.22 175.11 3m3y s GLN 87 N -2.74 2.76 -0.49 1.99 -0.21 -1.26 -2.09 119.66 117.62 3m3y s GLN 87 Ca 0.10 -0.17 -0.45 0.00 0.02 0.00 0.00 55.36 54.85 3m3y s GLN 87 Cb 0.00 -2.30 -0.19 0.00 1.00 0.00 0.00 33.01 31.52 3m3y s GLN 87 CO -0.05 -0.77 1.71 0.45 -2.12 0.00 0.00 175.29 174.52 3m3y n SER 88 N -2.58 1.06 0.04 5.90 2.88 -1.24 -4.78 113.62 114.89 3m3y n SER 88 Ca 0.05 1.02 0.14 0.00 -1.33 0.00 0.00 58.87 58.75 3m3y n SER 88 Cb 0.58 -0.86 0.54 0.00 -0.75 0.00 0.00 64.21 63.72 3m3y n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m3y n GLN 89 N 4.86 0.09 -1.72 -1.46 1.13 -1.16 -4.28 117.38 114.85 3m3y n GLN 89 Ca 0.37 0.07 -0.18 0.00 -1.94 0.00 0.00 57.00 55.33 3m3y n GLN 89 Cb -0.05 -1.61 -0.08 0.00 0.11 0.00 0.00 30.24 28.61 3m3y n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3m3y s GLN 90 N -3.04 1.66 -1.04 -1.09 -0.21 -1.00 -4.86 119.66 110.08 3m3y s GLN 90 Ca 0.13 -0.22 -0.23 0.00 0.02 0.00 0.00 55.36 55.05 3m3y s GLN 90 Cb 0.17 -4.96 -0.05 0.00 1.00 0.00 0.00 33.01 29.17 3m3y s GLN 90 CO 0.55 -4.70 1.88 1.03 -2.12 0.00 0.00 175.29 171.94 3m3y s ARG 91 N 8.14 2.72 0.37 2.91 1.81 -1.26 -4.87 118.95 128.78 3m3y s ARG 91 Ca 0.82 -0.80 0.06 0.00 -1.72 0.00 0.00 55.73 54.09 3m3y s ARG 91 Cb -0.07 -5.19 -0.02 0.00 -0.45 0.00 0.00 34.95 29.22 3m3y s ARG 91 CO 0.12 -3.42 0.22 -2.13 -0.68 0.00 0.00 175.30 169.40 3m3y n ARG 92 N 8.62 0.49 0.07 3.54 0.63 -1.26 -5.11 116.66 123.63 3m3y n ARG 92 Ca 0.42 -3.42 0.04 0.00 -0.92 0.00 0.00 57.85 53.97 3m3y n ARG 92 Cb 0.47 2.33 -0.04 0.00 0.45 0.00 0.00 32.46 35.67 3m3y n ARG 92 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3m3y h LYS 93 N 0.00 0.00 -0.79 -0.14 1.57 -2.04 -3.37 116.57 111.80 3m3y h LYS 93 Ca -0.28 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.93 3m3y h LYS 93 Cb 1.22 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.13 3m3y h LYS 93 CO 0.43 0.20 -0.45 -0.40 -0.57 0.00 0.00 179.45 178.66 3m3y n ASP 94 N -2.85 5.45 -4.57 0.86 5.68 -1.26 -5.03 116.55 114.83 3m3y n ASP 94 Ca -0.05 -3.76 -0.39 0.00 -0.50 0.00 0.00 54.79 50.09 3m3y n ASP 94 Cb 0.73 -0.48 -0.11 0.00 -1.14 0.00 0.00 41.12 40.12 3m3y n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3m3y s THR 95 N -4.62 5.30 -0.41 2.12 2.01 -1.26 -5.01 115.64 113.76 3m3y s THR 95 Ca 0.54 0.05 -0.39 0.00 0.31 0.00 0.00 61.69 62.21 3m3y s THR 95 Cb 0.43 -3.58 -0.16 0.00 0.01 0.00 0.00 72.50 69.19 3m3y s THR 95 CO 0.03 0.17 1.37 -1.54 -0.69 0.00 0.00 174.62 173.96 3m3y n SER 96 N 5.07 0.96 -1.57 3.53 3.41 -1.26 -4.71 113.62 119.06 3m3y n SER 96 Ca -0.14 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 3m3y n SER 96 Cb 0.51 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3m3y n SER 96 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3m3y n MET 97 N 3.61 0.21 -2.78 4.33 1.56 -1.26 -4.60 117.12 118.17 3m3y n MET 97 Ca 0.28 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.36 3m3y n MET 97 Cb -0.05 -1.40 -0.07 0.00 2.15 0.00 0.00 33.22 33.86 3m3y n MET 97 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 3m3y s VAL 98 N 1.30 4.28 -0.05 1.12 1.01 -1.26 -4.95 120.40 121.85 3m3y s VAL 98 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.49 3m3y s VAL 98 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3m3y s VAL 98 CO 0.00 -0.17 0.20 -0.76 0.00 0.00 0.00 175.10 174.37 3m3y s LEU 99 N -2.85 4.38 -0.04 3.92 1.43 -1.26 -3.69 118.68 120.57 3m3y s LEU 99 Ca 0.59 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 3m3y s LEU 99 Cb -0.13 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 3m3y s LEU 99 CO 0.17 0.32 -0.23 -0.36 0.23 0.00 0.00 176.35 176.48 3m3y s PHE 100 N -1.19 2.17 -0.05 0.29 0.40 -0.89 -0.22 117.98 118.49 3m3y s PHE 100 Ca 0.22 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 3m3y s PHE 100 Cb -0.13 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 3m3y s PHE 100 CO 0.12 -0.12 -0.22 -0.06 0.70 0.00 0.00 175.22 175.64 3m3y s PHE 101 N -0.33 2.48 -0.34 0.36 0.40 0.66 -2.68 117.98 118.53 3m3y s PHE 101 Ca 0.03 -0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 55.77 3m3y s PHE 101 Cb -0.11 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.85 3m3y s PHE 101 CO 0.01 -0.07 0.16 0.08 0.70 0.00 0.00 175.22 176.11 3m3y s VAL 102 N -0.42 4.48 0.32 -0.44 1.01 -0.92 -1.00 120.40 123.42 3m3y s VAL 102 Ca 0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3m3y s VAL 102 Cb -0.12 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.77 3m3y s VAL 102 CO 0.01 -0.07 1.41 0.00 0.00 0.00 0.00 175.10 176.46 3m3y n LEU 104 N 1.28 1.95 0.00 0.00 4.77 -0.66 -2.62 117.00 121.73 3m3y n LEU 104 Ca 0.03 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 3m3y n LEU 104 Cb 0.40 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3m3y n LEU 104 CO 0.61 0.38 -0.43 -1.20 -1.33 0.00 0.00 177.39 175.42 3m3y n SER 105 N 0.29 1.68 -0.20 -1.43 7.64 -1.26 -4.71 113.62 115.62 3m3y n SER 105 Ca 0.10 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.11 3m3y n SER 105 Cb 0.37 0.00 0.50 0.00 -1.01 0.00 0.00 64.21 64.07 3m3y n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m3y n SER 107 N -0.73 -1.80 -4.73 0.00 7.64 -1.08 -4.95 113.62 107.97 3m3y n SER 107 Ca 0.14 -1.08 -0.40 0.00 1.01 0.00 0.00 58.87 58.55 3m3y n SER 107 Cb 0.31 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 61.89 3m3y n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3m3y s HIS 108 N -3.13 3.64 -0.25 1.43 5.65 -1.25 -4.71 115.29 116.66 3m3y s HIS 108 Ca 0.76 1.32 -0.14 0.00 0.25 0.00 0.00 55.06 57.24 3m3y s HIS 108 Cb -0.44 -2.79 -0.04 0.00 -1.18 0.00 0.00 32.58 28.13 3m3y s HIS 108 CO 0.93 0.17 0.34 0.42 -0.65 0.00 0.00 174.74 175.95 3m3y s ILE 109 N 0.43 5.22 0.25 0.89 1.09 -1.26 -1.19 121.20 126.62 3m3y s ILE 109 Ca 0.37 0.52 0.01 0.00 -1.10 0.00 0.00 60.65 60.45 3m3y s ILE 109 Cb -0.19 -3.67 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 3m3y s ILE 109 CO 0.20 0.21 0.10 0.72 -0.10 0.00 0.00 174.94 176.07 3m3y s PHE 110 N 1.73 1.46 0.08 3.97 -0.12 -0.17 -4.91 117.98 120.02 3m3y s PHE 110 Ca 0.14 -1.21 0.04 0.00 -0.05 0.00 0.00 56.93 55.86 3m3y s PHE 110 Cb -0.15 -0.84 -0.03 0.00 -0.63 0.00 0.00 43.02 41.37 3m3y s PHE 110 CO 0.09 -0.38 -0.11 0.99 -0.05 0.00 0.00 175.22 175.76 3m3y s THR 111 N -3.81 0.93 -0.91 -4.49 2.01 -1.26 0.24 115.64 108.35 3m3y s THR 111 Ca 0.37 -1.41 0.27 0.00 0.31 0.00 0.00 61.69 61.24 3m3y s THR 111 Cb 0.08 -1.10 0.18 0.00 0.01 0.00 0.00 72.50 71.66 3m3y s THR 111 CO 0.13 -0.40 1.73 -1.54 -0.69 0.00 0.00 174.62 173.85 3m3y n SER 112 N 1.01 0.33 -4.64 3.53 3.41 0.69 -4.89 113.62 113.06 3m3y n SER 112 Ca -0.19 0.32 -0.43 0.00 -0.26 0.00 0.00 58.87 58.31 3m3y n SER 112 Cb 0.56 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3m3y n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m3y s ASP 113 N -3.42 6.52 -0.14 4.04 2.15 -1.26 -4.90 116.67 119.66 3m3y s ASP 113 Ca 0.12 1.85 -0.10 0.00 0.43 0.00 0.00 52.55 54.85 3m3y s ASP 113 Cb 0.17 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.19 3m3y s ASP 113 CO 0.60 -1.10 0.02 1.56 -0.17 0.00 0.00 175.17 176.08 3m3y h GLN 114 N 10.11 0.00 0.00 4.34 4.20 -2.01 -3.44 115.11 128.32 3m3y h GLN 114 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3m3y h GLN 114 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3m3y h GLN 114 CO 0.98 0.23 0.00 1.63 -0.67 0.00 0.00 178.83 181.00 3m3y n LYS 115 N -4.64 0.00 -2.57 1.46 5.02 -1.26 -4.71 118.16 111.46 3m3y n LYS 115 Ca -0.09 0.66 -0.36 0.00 -2.02 0.00 0.00 58.31 56.50 3m3y n LYS 115 Cb 0.26 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3m3y n LYS 115 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3m3y s ASN 116 N -2.48 6.73 0.48 4.39 4.22 -1.26 -5.10 114.94 121.93 3m3y s ASN 116 Ca 0.00 2.00 0.00 0.00 -2.14 0.00 0.00 52.86 52.72 3m3y s ASN 116 Cb 0.00 -2.58 0.05 0.00 1.28 0.00 0.00 41.25 40.00 3m3y s ASN 116 CO 0.00 -0.51 0.32 2.29 -2.04 0.00 0.00 177.10 177.16 3m3y n LYS 117 N -0.20 0.41 -4.05 3.55 2.85 -1.26 -4.93 118.16 114.52 3m3y n LYS 117 Ca 0.06 -0.87 -0.10 0.00 -1.05 0.00 0.00 58.31 56.34 3m3y n LYS 117 Cb 0.50 -0.21 -0.06 0.00 -0.65 0.00 0.00 35.03 34.62 3m3y n LYS 117 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3m3y s ARG 118 N -3.23 1.54 0.00 -1.58 1.81 -1.26 -5.07 118.95 111.15 3m3y s ARG 118 Ca 0.21 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 52.83 3m3y s ARG 118 Cb -0.01 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.92 3m3y s ARG 118 CO 0.14 -0.62 0.00 2.41 -0.68 0.00 0.00 175.30 176.55 3m3y n THR 119 N -0.39 0.00 0.00 0.02 -1.04 -1.26 -5.26 114.28 106.36 3m3y n THR 119 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3m3y n THR 119 Cb 0.63 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 3m3y n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43