#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 n THR 2 N 0.00 2.83 0.00 2.03 -1.04 -1.26 -5.02 114.28 111.82 1i50 n THR 2 Ca 0.00 -1.46 0.00 0.00 -2.04 0.00 0.00 64.05 60.55 1i50 n THR 2 Cb 0.00 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1i50 n THR 2 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1i50 n THR 3 N 0.45 0.00 -3.98 12.58 -1.04 -1.26 -4.85 114.28 116.18 1i50 n THR 3 Ca 0.31 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.10 1i50 n THR 3 Cb 1.26 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.74 1i50 n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1i50 s PHE 4 N 0.00 3.43 0.31 -1.42 -0.00 -1.26 -5.08 117.98 113.95 1i50 s PHE 4 Ca 0.00 -0.00 0.08 0.00 -0.00 0.00 0.00 56.93 57.01 1i50 s PHE 4 Cb 0.00 -1.57 -0.04 0.00 -0.00 0.00 0.00 43.02 41.41 1i50 s PHE 4 CO 0.00 0.46 0.13 1.03 -0.00 0.00 0.00 175.22 176.85 1i50 s ARG 5 N -3.82 2.49 0.26 1.99 0.52 -1.26 -5.09 118.95 114.05 1i50 s ARG 5 Ca 0.34 -1.40 0.11 0.00 -0.52 0.00 0.00 55.73 54.26 1i50 s ARG 5 Cb -0.09 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 1i50 s ARG 5 CO 0.29 0.22 -0.12 -0.06 0.02 0.00 0.00 175.30 175.65 1i50 s PHE 6 N -2.34 2.48 0.56 -0.53 0.40 -1.26 -3.04 117.98 114.25 1i50 s PHE 6 Ca 0.36 -0.28 -0.20 0.00 -0.60 0.00 0.00 56.93 56.21 1i50 s PHE 6 Cb -0.05 -1.10 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 1i50 s PHE 6 CO 0.23 0.65 0.96 0.00 0.70 0.00 0.00 175.22 177.76 1i50 h ARG 8 N 0.75 0.71 0.00 0.00 2.43 -1.98 -3.10 114.38 113.18 1i50 h ARG 8 Ca -0.48 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.18 1i50 h ARG 8 Cb 1.36 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1i50 h ARG 8 CO 0.52 1.14 -0.28 -0.25 -1.51 0.00 0.00 179.97 179.59 1i50 n ASP 9 N -3.94 0.82 -0.29 -3.80 8.00 -1.26 -4.64 116.55 111.43 1i50 n ASP 9 Ca -0.05 0.36 0.11 0.00 0.71 0.00 0.00 54.79 55.91 1i50 n ASP 9 Cb 0.68 -0.65 0.50 0.00 -0.02 0.00 0.00 41.12 41.63 1i50 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i50 n ASN 11 N -0.22 -0.17 -4.73 0.00 5.15 -1.17 -4.92 115.26 109.20 1i50 n ASN 11 Ca 0.16 -1.06 -0.27 0.00 -0.60 0.00 0.00 54.58 52.81 1i50 n ASN 11 Cb 0.21 -2.77 -0.08 0.00 -0.53 0.00 0.00 39.78 36.62 1i50 n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1i50 s ASN 12 N -4.34 4.26 0.36 1.20 0.02 -1.26 -4.73 114.94 110.45 1i50 s ASN 12 Ca 0.03 -1.26 -0.28 0.00 -1.02 0.00 0.00 52.86 50.33 1i50 s ASN 12 Cb -0.02 -0.20 -0.10 0.00 0.02 0.00 0.00 41.25 40.96 1i50 s ASN 12 CO 0.91 -0.63 1.26 -0.32 0.02 0.00 0.00 177.10 178.34 1i50 s MET 13 N -3.89 4.24 0.01 -0.60 -2.45 -1.26 -0.87 119.30 114.48 1i50 s MET 13 Ca 0.33 2.10 -0.02 0.00 -1.25 0.00 0.00 55.69 56.85 1i50 s MET 13 Cb 0.04 -2.94 -0.04 0.00 1.25 0.00 0.00 34.83 33.14 1i50 s MET 13 CO 0.18 -0.24 0.20 -0.51 1.05 0.00 0.00 175.02 175.69 1i50 s LEU 14 N -2.03 4.37 -0.01 4.11 1.43 -1.17 -4.58 118.68 120.80 1i50 s LEU 14 Ca 0.52 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.02 1i50 s LEU 14 Cb -0.37 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1i50 s LEU 14 CO 0.48 0.23 -0.21 -0.31 0.23 0.00 0.00 176.35 176.77 1i50 s TYR 15 N -1.38 2.47 0.29 0.29 1.51 -0.29 -4.92 117.35 115.32 1i50 s TYR 15 Ca 0.30 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.74 1i50 s TYR 15 Cb -0.13 -1.51 -0.10 0.00 -0.11 0.00 0.00 41.96 40.11 1i50 s TYR 15 CO 0.21 0.10 1.43 -1.25 -1.11 0.00 0.00 175.55 174.94 1i50 s PRO 16 N -0.89 4.25 -0.02 -1.71 0.04 -1.26 -1.70 135.00 133.71 1i50 s PRO 16 Ca 0.12 2.35 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 1i50 s PRO 16 Cb -0.10 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1i50 s PRO 16 CO 0.01 -0.41 0.12 1.03 0.04 0.00 0.00 177.00 177.79 1i50 s ARG 17 N -0.91 0.32 -0.17 4.56 1.81 -0.58 -4.90 118.95 119.08 1i50 s ARG 17 Ca 0.57 -0.15 -0.14 0.00 -1.72 0.00 0.00 55.73 54.28 1i50 s ARG 17 Cb -0.43 0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 34.16 1i50 s ARG 17 CO 0.48 -0.06 0.32 -2.00 -0.68 0.00 0.00 175.30 173.35 1i50 s GLU 18 N -0.73 4.25 -0.73 3.54 2.12 -1.26 -0.34 118.70 125.54 1i50 s GLU 18 Ca -0.08 0.12 -0.20 0.00 0.36 0.00 0.00 54.97 55.17 1i50 s GLU 18 Cb -0.05 -3.45 0.10 0.00 0.26 0.00 0.00 34.13 31.00 1i50 s GLU 18 CO 0.01 0.19 0.95 0.34 -0.54 0.00 0.00 175.26 176.20 1i50 s ASP 19 N 0.59 6.34 0.00 -1.70 -1.08 -0.67 -4.90 116.67 115.24 1i50 s ASP 19 Ca 0.17 -1.48 0.08 0.00 -0.52 0.00 0.00 52.55 50.80 1i50 s ASP 19 Cb -0.13 -2.38 0.37 0.00 -1.46 0.00 0.00 42.92 39.31 1i50 s ASP 19 CO 0.05 -1.22 1.15 0.29 0.52 0.00 0.00 175.17 175.95 1i50 n LYS 20 N 6.90 0.08 -0.09 4.34 5.02 -1.26 -1.24 118.16 131.91 1i50 n LYS 20 Ca 0.04 0.26 -0.19 0.00 -2.02 0.00 0.00 58.31 56.40 1i50 n LYS 20 Cb 0.46 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 1i50 n LYS 20 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i50 n GLU 21 N -1.35 0.68 -0.09 1.97 1.02 -1.26 -4.42 120.64 117.19 1i50 n GLU 21 Ca 0.03 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.45 1i50 n GLU 21 Cb 0.07 -1.58 0.12 0.00 -0.02 0.00 0.00 31.44 30.03 1i50 n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i50 n ASN 22 N -3.37 2.73 -3.42 1.62 3.02 -1.22 -5.01 115.26 109.61 1i50 n ASN 22 Ca -0.41 -1.80 -0.12 0.00 -0.03 0.00 0.00 54.58 52.21 1i50 n ASN 22 Cb 1.00 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 1i50 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1i50 n ASN 23 N 0.95 -6.34 -4.04 6.41 3.02 -0.37 -5.03 115.26 109.86 1i50 n ASN 23 Ca 0.12 -0.51 -0.09 0.00 -0.03 0.00 0.00 54.58 54.07 1i50 n ASN 23 Cb 0.45 -3.50 -0.09 0.00 -0.61 0.00 0.00 39.78 36.03 1i50 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i50 s ARG 24 N -3.95 0.96 -0.23 3.52 1.70 -1.16 -5.00 118.95 114.79 1i50 s ARG 24 Ca 0.00 -1.26 -0.11 0.00 -0.47 0.00 0.00 55.73 53.89 1i50 s ARG 24 Cb -0.00 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1i50 s ARG 24 CO 0.82 -0.30 0.20 -1.17 -1.08 0.00 0.00 175.30 173.77 1i50 s LEU 25 N -2.98 4.13 0.50 -1.89 2.96 -1.26 -1.67 118.68 118.47 1i50 s LEU 25 Ca 0.17 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1i50 s LEU 25 Cb 0.06 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1i50 s LEU 25 CO -0.02 0.05 0.26 -0.76 -1.32 0.00 0.00 176.35 174.56 1i50 s LEU 26 N 1.04 2.74 -0.27 -0.68 1.43 0.53 -1.03 118.68 122.44 1i50 s LEU 26 Ca 0.10 -1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 51.90 1i50 s LEU 26 Cb -0.14 -1.19 0.12 0.00 0.03 0.00 0.00 46.19 45.01 1i50 s LEU 26 CO 0.05 -0.90 0.22 -0.36 0.23 0.00 0.00 176.35 175.59 1i50 s PHE 27 N -2.74 -0.16 0.52 0.29 0.40 0.83 -1.53 117.98 115.58 1i50 s PHE 27 Ca 0.30 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1i50 s PHE 27 Cb 0.00 -0.60 0.02 0.00 0.51 0.00 0.00 43.02 42.96 1i50 s PHE 27 CO 0.18 -0.83 0.73 -1.83 0.70 0.00 0.00 175.22 174.17 1i50 s GLU 28 N 2.27 2.67 0.05 0.44 -1.05 -0.69 -1.84 118.70 120.56 1i50 s GLU 28 Ca 0.09 -0.77 0.04 0.00 -0.15 0.00 0.00 54.97 54.17 1i50 s GLU 28 Cb -0.15 -2.53 -0.04 0.00 -0.44 0.00 0.00 34.13 30.97 1i50 s GLU 28 CO -0.30 -0.58 -0.01 0.00 0.95 0.00 0.00 175.26 175.31 1i50 n ARG 30 N 0.92 3.85 0.00 0.00 1.74 -1.26 -4.56 116.66 117.35 1i50 n ARG 30 Ca -0.12 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 1i50 n ARG 30 Cb 0.52 -1.98 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1i50 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1i50 n THR 31 N 0.34 0.00 -0.01 0.55 -1.04 -1.26 -5.07 114.28 107.79 1i50 n THR 31 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1i50 n THR 31 Cb 0.98 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 1i50 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n SER 33 N 0.00 2.94 -4.75 0.00 7.64 -1.26 -4.68 113.62 113.51 1i50 n SER 33 Ca 0.00 -3.24 -0.32 0.00 1.01 0.00 0.00 58.87 56.32 1i50 n SER 33 Cb 0.00 -0.52 0.09 0.00 -1.01 0.00 0.00 64.21 62.77 1i50 n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1i50 s TYR 34 N -2.95 2.35 -0.29 1.43 5.04 -1.26 -4.91 117.35 116.75 1i50 s TYR 34 Ca 0.39 1.60 -0.21 0.00 -2.44 0.00 0.00 57.07 56.41 1i50 s TYR 34 Cb 0.33 -3.20 0.14 0.00 0.35 0.00 0.00 41.96 39.59 1i50 s TYR 34 CO 0.04 -2.06 1.07 0.54 -1.34 0.00 0.00 175.55 173.80 1i50 s VAL 35 N -2.57 0.00 0.15 3.14 0.11 -1.26 -2.47 120.40 117.51 1i50 s VAL 35 Ca 0.66 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.72 1i50 s VAL 35 Cb -0.21 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1i50 s VAL 35 CO 0.51 0.00 0.01 -1.83 -3.33 0.00 0.00 175.10 170.46 1i50 s GLU 36 N 0.63 1.03 0.66 1.54 -1.05 -0.76 -4.94 118.70 115.81 1i50 s GLU 36 Ca -0.01 -1.49 -0.12 0.00 -0.15 0.00 0.00 54.97 53.20 1i50 s GLU 36 Cb -0.04 -0.12 -0.01 0.00 -0.44 0.00 0.00 34.13 33.52 1i50 s GLU 36 CO -0.11 -0.16 1.05 -1.83 0.95 0.00 0.00 175.26 175.17 1i50 s GLU 37 N -3.95 3.10 0.14 -4.83 -1.05 -1.26 -0.12 118.70 110.73 1i50 s GLU 37 Ca 0.23 0.98 -0.12 0.00 -0.15 0.00 0.00 54.97 55.91 1i50 s GLU 37 Cb 0.06 -2.01 -0.07 0.00 -0.44 0.00 0.00 34.13 31.68 1i50 s GLU 37 CO 0.02 -0.98 0.50 0.00 0.95 0.00 0.00 175.26 175.76 1i50 s ALA 38 N -2.94 3.62 -0.03 -0.84 0.00 -0.20 -4.74 121.76 116.63 1i50 s ALA 38 Ca 0.59 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 1i50 s ALA 38 Cb -0.14 -2.43 -0.09 0.00 0.00 0.00 0.00 23.12 20.47 1i50 s ALA 38 CO 0.51 0.50 0.66 0.78 0.00 0.00 0.00 175.76 178.21 1i50 h GLY 39 N 3.43 -0.58 -1.93 0.00 0.00 -1.96 -3.47 103.07 98.56 1i50 h GLY 39 Ca -0.48 0.21 -0.60 0.00 0.00 0.00 0.00 47.33 46.46 1i50 h GLY 39 CO 0.67 -0.21 -0.62 -1.35 0.00 0.00 0.00 176.54 175.03 1i50 s SER 40 N -4.76 4.00 0.07 0.19 1.04 -1.26 -5.03 113.70 107.95 1i50 s SER 40 Ca -0.08 -1.15 0.27 0.00 0.48 0.00 0.00 55.95 55.46 1i50 s SER 40 Cb 0.01 -0.44 0.82 0.00 0.10 0.00 0.00 66.02 66.51 1i50 s SER 40 CO 0.24 -0.31 1.67 -0.81 0.98 0.00 0.00 173.24 175.01 1i50 n PRO 41 N -0.94 0.11 -2.00 4.02 -0.04 -1.26 -4.82 135.00 130.07 1i50 n PRO 41 Ca -0.04 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1i50 n PRO 41 Cb 0.64 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1i50 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1i50 s LEU 42 N -3.54 4.35 -0.01 1.53 2.96 -1.26 -4.87 118.68 117.85 1i50 s LEU 42 Ca 0.11 2.39 0.06 0.00 -0.22 0.00 0.00 54.13 56.47 1i50 s LEU 42 Cb 0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 1i50 s LEU 42 CO 0.62 -0.85 0.14 0.52 -1.32 0.00 0.00 176.35 175.45 1i50 n VAL 43 N 4.75 0.00 -3.61 1.68 0.31 -1.26 -4.95 118.33 115.25 1i50 n VAL 43 Ca 0.15 -0.15 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1i50 n VAL 43 Cb 0.41 0.39 -0.07 0.00 -0.91 0.00 0.00 33.84 33.67 1i50 n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1i50 s TYR 44 N -2.38 -0.50 -0.13 3.52 5.04 -1.26 -5.00 117.35 116.64 1i50 s TYR 44 Ca -0.02 0.87 -0.09 0.00 -2.44 0.00 0.00 57.07 55.39 1i50 s TYR 44 Cb 0.04 0.30 0.04 0.00 0.35 0.00 0.00 41.96 42.69 1i50 s TYR 44 CO 0.25 -0.52 0.32 0.50 -1.34 0.00 0.00 175.55 174.76 1i50 s ARG 45 N -1.15 0.32 -0.22 4.97 6.06 -1.26 -5.01 118.95 122.65 1i50 s ARG 45 Ca -0.11 0.56 -0.02 0.00 -2.50 0.00 0.00 55.73 53.66 1i50 s ARG 45 Cb -0.02 0.02 0.07 0.00 0.06 0.00 0.00 34.95 35.08 1i50 s ARG 45 CO 0.08 -0.11 0.02 -1.58 -2.50 0.00 0.00 175.30 171.21 1i50 s HIS 46 N 0.86 1.46 -0.58 5.12 5.65 -1.26 -4.89 115.29 121.65 1i50 s HIS 46 Ca -0.06 -1.21 -0.18 0.00 0.25 0.00 0.00 55.06 53.86 1i50 s HIS 46 Cb -0.07 -1.27 0.11 0.00 -1.18 0.00 0.00 32.58 30.18 1i50 s HIS 46 CO -0.06 -0.69 0.65 -1.21 -0.65 0.00 0.00 174.74 172.78 1i50 s GLU 47 N 1.71 3.03 0.39 2.88 2.02 -1.26 -4.90 118.70 122.58 1i50 s GLU 47 Ca -0.00 -1.44 0.08 0.00 0.02 0.00 0.00 54.97 53.63 1i50 s GLU 47 Cb -0.18 -4.28 0.81 0.00 0.10 0.00 0.00 34.13 30.58 1i50 s GLU 47 CO -0.10 -1.48 1.98 -0.07 0.02 0.00 0.00 175.26 175.60 1i50 h LEU 48 N 9.66 0.36 -7.76 1.80 3.38 -2.08 -3.35 115.31 117.32 1i50 h LEU 48 Ca -0.29 -0.04 -0.66 0.00 0.09 0.00 0.00 57.88 56.98 1i50 h LEU 48 Cb 1.09 -0.09 -0.38 0.00 0.09 0.00 0.00 40.66 41.36 1i50 h LEU 48 CO 1.08 0.38 -0.76 -0.63 0.09 0.00 0.00 178.44 178.60 1i50 s ILE 49 N -5.09 2.15 0.41 1.22 1.01 -1.26 -5.12 121.20 114.52 1i50 s ILE 49 Ca -0.07 -1.92 0.08 0.00 0.00 0.00 0.00 60.65 58.73 1i50 s ILE 49 Cb 0.16 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1i50 s ILE 49 CO 0.73 -0.30 0.44 -0.89 0.00 0.00 0.00 174.94 174.92 1i50 s THR 50 N 1.04 2.90 0.00 2.92 2.01 -1.26 -5.04 115.64 118.21 1i50 s THR 50 Ca 0.01 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1i50 s THR 50 Cb -0.19 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1i50 s THR 50 CO -0.07 -0.02 0.00 0.59 -0.69 0.00 0.00 174.62 174.43 1i50 n ASN 51 N -1.64 3.12 -4.72 3.53 4.13 -1.26 -5.05 115.26 113.37 1i50 n ASN 51 Ca 0.05 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.88 1i50 n ASN 51 Cb 0.61 0.22 -0.03 0.00 -1.54 0.00 0.00 39.78 39.04 1i50 n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i50 n ILE 52 N -1.72 0.33 0.00 2.41 3.06 -1.26 -2.29 119.36 119.89 1i50 n ILE 52 Ca 0.00 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1i50 n ILE 52 Cb 0.33 -1.90 0.00 0.00 0.54 0.00 0.00 39.64 38.61 1i50 n ILE 52 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1i50 n GLY 53 N 3.31 1.68 0.34 4.50 0.00 -1.26 -4.96 105.19 108.80 1i50 n GLY 53 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1i50 n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i50 h GLU 54 N 0.29 0.28 -0.00 1.61 5.08 -1.79 -2.75 114.58 117.30 1i50 h GLU 54 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1i50 h GLU 54 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1i50 h GLU 54 CO 0.00 0.19 -0.83 2.41 -1.00 0.00 0.00 179.01 179.77 1i50 n THR 55 N -4.46 0.00 -1.53 1.13 -1.04 -1.26 -2.48 114.28 104.64 1i50 n THR 55 Ca 0.08 -0.08 -0.56 0.00 -2.04 0.00 0.00 64.05 61.44 1i50 n THR 55 Cb 0.36 1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 69.86 1i50 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n ALA 56 N -1.12 -2.74 0.00 2.41 0.00 -1.04 -2.84 120.51 115.19 1i50 n ALA 56 Ca 0.05 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1i50 n ALA 56 Cb 0.35 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1i50 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i50 n GLY 57 N 1.84 1.58 3.56 0.00 0.00 -1.26 -4.89 105.19 106.01 1i50 n GLY 57 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1i50 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 58 N -2.08 3.49 0.33 1.61 1.01 -1.13 -4.89 120.40 118.73 1i50 s VAL 58 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1i50 s VAL 58 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1i50 s VAL 58 CO 0.00 -1.13 0.17 -0.69 0.00 0.00 0.00 175.10 173.45 1i50 s VAL 59 N 8.73 3.31 0.21 2.92 1.01 -1.26 -5.03 120.40 130.29 1i50 s VAL 59 Ca 0.63 -1.61 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 1i50 s VAL 59 Cb -0.08 -3.05 0.15 0.00 0.00 0.00 0.00 36.38 33.39 1i50 s VAL 59 CO 0.08 -0.21 1.84 -0.61 0.00 0.00 0.00 175.10 176.20 1i50 h GLN 60 N 1.50 0.81 -0.10 2.72 5.75 -2.03 -2.28 115.11 121.48 1i50 h GLN 60 Ca -0.44 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1i50 h GLN 60 Cb 1.25 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.62 1i50 h GLN 60 CO 0.61 0.54 0.00 -0.25 -2.65 0.00 0.00 178.83 177.08 1i50 n ASP 61 N -4.68 0.71 -0.12 -0.69 8.00 -1.26 -4.35 116.55 114.16 1i50 n ASP 61 Ca 0.08 -1.77 0.27 0.00 0.71 0.00 0.00 54.79 54.08 1i50 n ASP 61 Cb 0.11 -0.07 0.72 0.00 -0.02 0.00 0.00 41.12 41.86 1i50 n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1i50 h ILE 62 N 0.85 0.49 -0.04 0.53 2.10 -1.75 0.17 117.51 119.85 1i50 h ILE 62 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.83 1i50 h ILE 62 Cb 0.19 0.55 -0.01 0.00 -1.09 0.00 0.00 36.82 36.46 1i50 h ILE 62 CO 0.00 0.00 -0.47 1.23 -1.08 0.00 0.00 178.15 177.83 1i50 h GLY 63 N 0.00 0.11 1.23 8.18 0.00 -1.83 -2.73 103.07 108.03 1i50 h GLY 63 Ca 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1i50 h GLY 63 CO -0.00 0.10 0.00 -1.14 0.00 0.00 0.00 176.54 175.50 1i50 n SER 64 N -3.97 0.00 -4.59 0.19 3.41 0.58 -4.71 113.62 104.52 1i50 n SER 64 Ca -0.02 -0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 57.59 1i50 n SER 64 Cb 0.51 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1i50 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i50 s ASP 65 N -2.23 6.44 0.51 4.04 -1.08 -1.03 -4.91 116.67 118.42 1i50 s ASP 65 Ca 0.36 0.42 0.28 0.00 -0.52 0.00 0.00 52.55 53.09 1i50 s ASP 65 Cb 0.19 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.48 1i50 s ASP 65 CO 0.37 -1.42 2.03 1.55 0.52 0.00 0.00 175.17 178.21 1i50 h PRO 66 N 9.91 0.00 0.00 4.34 0.13 -1.89 -3.11 132.00 141.38 1i50 h PRO 66 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1i50 h PRO 66 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i50 h PRO 66 CO 1.14 0.13 0.00 0.25 -0.23 0.00 0.00 178.00 179.29 1i50 n THR 67 N -3.52 0.65 -2.79 1.56 -2.24 -1.26 -4.85 114.28 101.83 1i50 n THR 67 Ca -0.01 -0.19 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1i50 n THR 67 Cb 0.27 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 1i50 n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i50 s LEU 68 N -4.57 4.20 0.55 3.22 1.43 -1.18 -5.05 118.68 117.28 1i50 s LEU 68 Ca 0.09 1.79 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 1i50 s LEU 68 Cb 0.12 -4.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 1i50 s LEU 68 CO 0.56 -0.18 1.01 -2.16 0.23 0.00 0.00 176.35 175.81 1i50 s PRO 69 N -2.45 3.74 -0.01 1.29 0.04 -1.26 -4.92 135.00 131.43 1i50 s PRO 69 Ca 0.54 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1i50 s PRO 69 Cb -0.15 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1i50 s PRO 69 CO 0.20 -0.45 -0.16 1.03 0.04 0.00 0.00 177.00 177.66 1i50 s ARG 70 N -4.29 1.32 0.36 4.56 0.52 -1.26 -1.56 118.95 118.61 1i50 s ARG 70 Ca 0.59 -0.58 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1i50 s ARG 70 Cb -0.11 -1.28 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 1i50 s ARG 70 CO 0.37 0.35 0.07 -1.54 0.02 0.00 0.00 175.30 174.57 1i50 s SER 71 N -0.38 2.63 -0.24 0.23 1.04 -1.14 -5.01 113.70 110.83 1i50 s SER 71 Ca 0.06 -1.47 0.11 0.00 0.48 0.00 0.00 55.95 55.13 1i50 s SER 71 Cb -0.06 0.10 0.45 0.00 0.10 0.00 0.00 66.02 66.61 1i50 s SER 71 CO -0.01 -0.71 1.19 -0.90 0.98 0.00 0.00 173.24 173.80 1i50 n ASP 72 N -0.89 3.29 -3.02 7.02 5.75 -1.26 -3.00 116.55 124.43 1i50 n ASP 72 Ca -0.04 -3.51 -0.15 0.00 -0.01 0.00 0.00 54.79 51.08 1i50 n ASP 72 Cb 0.66 -0.41 0.12 0.00 -1.03 0.00 0.00 41.12 40.46 1i50 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i50 n ARG 73 N -0.75 -2.14 -5.07 0.11 1.74 -1.26 -4.78 116.66 104.51 1i50 n ARG 73 Ca 0.30 -0.85 -0.32 0.00 -0.77 0.00 0.00 57.85 56.21 1i50 n ARG 73 Cb 0.87 -0.81 -0.14 0.00 -1.02 0.00 0.00 32.46 31.36 1i50 n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i50 s GLU 74 N -4.20 2.42 -0.06 5.56 2.02 -1.26 -4.12 118.70 119.06 1i50 s GLU 74 Ca 0.35 -0.80 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 1i50 s GLU 74 Cb -0.04 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.89 1i50 s GLU 74 CO 0.27 0.55 0.50 0.00 0.02 0.00 0.00 175.26 176.60 1i50 n PRO 76 N 3.02 0.00 -0.01 0.00 -0.02 -1.26 -1.93 135.00 134.80 1i50 n PRO 76 Ca -0.08 0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.46 1i50 n PRO 76 Cb 0.52 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 1i50 n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1i50 n LYS 77 N -0.92 0.16 -0.26 -0.52 5.02 -1.26 -4.87 118.16 115.50 1i50 n LYS 77 Ca 0.00 0.06 0.07 0.00 -2.02 0.00 0.00 58.31 56.42 1i50 n LYS 77 Cb 0.16 -0.68 0.20 0.00 -0.02 0.00 0.00 35.03 34.69 1i50 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i50 n HIS 79 N 0.59 -1.06 -2.68 0.00 8.25 -0.81 -4.88 115.22 114.63 1i50 n HIS 79 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 1i50 n HIS 79 Cb 0.54 -1.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.17 1i50 n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1i50 s SER 80 N -1.46 7.46 -0.14 0.41 1.04 -1.26 -4.68 113.70 115.06 1i50 s SER 80 Ca 0.00 1.88 0.02 0.00 0.48 0.00 0.00 55.95 58.33 1i50 s SER 80 Cb 0.00 -2.59 0.26 0.00 0.10 0.00 0.00 66.02 63.79 1i50 s SER 80 CO 0.00 -0.08 1.23 0.54 0.98 0.00 0.00 173.24 175.91 1i50 n ARG 81 N 2.58 1.74 -3.52 4.02 1.74 -1.26 -3.96 116.66 118.00 1i50 n ARG 81 Ca 0.02 -1.13 -0.42 0.00 -0.77 0.00 0.00 57.85 55.56 1i50 n ARG 81 Cb 0.48 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 30.32 1i50 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i50 s GLU 82 N -1.34 2.90 0.19 5.56 0.41 -1.26 -4.34 118.70 120.82 1i50 s GLU 82 Ca 0.21 -2.22 0.11 0.00 -0.41 0.00 0.00 54.97 52.66 1i50 s GLU 82 Cb 0.17 -4.05 -0.04 0.00 -1.78 0.00 0.00 34.13 28.43 1i50 s GLU 82 CO 0.05 -1.23 -0.24 -0.80 -0.49 0.00 0.00 175.26 172.55 1i50 s ASN 83 N 1.95 3.39 0.06 -0.19 0.01 -1.16 -0.75 114.94 118.25 1i50 s ASN 83 Ca 0.13 -0.87 0.07 0.00 -0.71 0.00 0.00 52.86 51.48 1i50 s ASN 83 Cb -0.19 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.19 1i50 s ASN 83 CO -0.04 0.11 -0.19 0.54 -1.51 0.00 0.00 177.10 176.01 1i50 s VAL 84 N -1.68 1.55 -0.01 1.60 0.11 -1.17 -2.89 120.40 117.90 1i50 s VAL 84 Ca 0.20 -1.24 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 1i50 s VAL 84 Cb -0.08 -1.38 0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1i50 s VAL 84 CO 0.10 0.10 0.26 0.72 -3.33 0.00 0.00 175.10 172.95 1i50 s PHE 85 N -0.90 -0.12 0.20 1.54 -0.12 -0.60 -1.50 117.98 116.48 1i50 s PHE 85 Ca 0.06 0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 57.04 1i50 s PHE 85 Cb -0.09 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 1i50 s PHE 85 CO 0.02 -0.37 0.20 -0.59 -0.05 0.00 0.00 175.22 174.43 1i50 s PHE 86 N -1.39 0.91 0.59 3.49 -0.12 -0.71 -4.01 117.98 116.73 1i50 s PHE 86 Ca -0.14 -1.19 0.02 0.00 -0.05 0.00 0.00 56.93 55.57 1i50 s PHE 86 Cb -0.06 -0.37 0.06 0.00 -0.63 0.00 0.00 43.02 42.03 1i50 s PHE 86 CO 0.03 -0.70 0.82 -1.14 -0.05 0.00 0.00 175.22 174.18 1i50 s GLN 87 N -4.10 2.33 0.02 1.99 0.74 -1.26 0.16 119.66 119.53 1i50 s GLN 87 Ca 0.32 -0.96 -0.38 0.00 0.05 0.00 0.00 55.36 54.39 1i50 s GLN 87 Cb 0.05 -2.48 -0.17 0.00 1.10 0.00 0.00 33.01 31.51 1i50 s GLN 87 CO 0.09 -0.88 1.36 0.45 -0.55 0.00 0.00 175.29 175.76 1i50 n SER 88 N -2.42 1.52 -0.01 6.67 2.88 -1.24 -4.84 113.62 116.17 1i50 n SER 88 Ca 0.10 1.12 0.14 0.00 -1.33 0.00 0.00 58.87 58.91 1i50 n SER 88 Cb 0.60 -1.14 0.66 0.00 -0.75 0.00 0.00 64.21 63.57 1i50 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i50 n GLN 89 N 2.77 0.25 -1.22 -1.46 1.13 -1.03 -4.80 117.38 113.01 1i50 n GLN 89 Ca 0.20 -0.02 -0.32 0.00 -1.94 0.00 0.00 57.00 54.92 1i50 n GLN 89 Cb 0.16 -1.50 0.10 0.00 0.11 0.00 0.00 30.24 29.12 1i50 n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1i50 s GLN 90 N -2.77 2.04 -0.45 -1.09 -0.21 -1.25 -4.86 119.66 111.06 1i50 s GLN 90 Ca 0.21 1.35 0.06 0.00 0.02 0.00 0.00 55.36 57.01 1i50 s GLN 90 Cb 0.20 -1.86 0.41 0.00 1.00 0.00 0.00 33.01 32.75 1i50 s GLN 90 CO 0.51 -1.83 1.06 0.54 -2.12 0.00 0.00 175.29 173.44 1i50 n ARG 91 N -3.44 3.14 -3.96 2.91 5.12 -1.26 -5.04 116.66 114.13 1i50 n ARG 91 Ca 0.10 -4.43 -0.25 0.00 -1.93 0.00 0.00 57.85 51.34 1i50 n ARG 91 Cb 0.52 -2.14 -0.03 0.00 -1.16 0.00 0.00 32.46 29.65 1i50 n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1i50 s ARG 92 N -3.47 3.41 0.12 5.56 0.52 -1.26 -5.02 118.95 118.81 1i50 s ARG 92 Ca 0.46 -0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 54.99 1i50 s ARG 92 Cb 0.38 -2.93 -0.15 0.00 0.52 0.00 0.00 34.95 32.78 1i50 s ARG 92 CO -0.16 0.50 1.26 0.87 0.02 0.00 0.00 175.30 177.79 1i50 h LYS 93 N 1.91 0.32 -1.63 3.54 1.57 -2.03 -3.29 116.57 116.96 1i50 h LYS 93 Ca -0.49 -0.40 -0.30 0.00 -1.87 0.00 0.00 60.65 57.59 1i50 h LYS 93 Cb 1.20 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 33.52 1i50 h LYS 93 CO 0.66 1.12 0.35 -0.40 -0.57 0.00 0.00 179.45 180.61 1i50 n ASP 94 N -3.65 6.31 -4.98 0.86 5.75 -1.26 -4.91 116.55 114.68 1i50 n ASP 94 Ca -0.07 -2.99 -0.20 0.00 -0.01 0.00 0.00 54.79 51.53 1i50 n ASP 94 Cb 0.90 -1.09 0.01 0.00 -1.03 0.00 0.00 41.12 39.91 1i50 n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1i50 s THR 95 N -1.95 3.68 0.05 2.12 2.01 -1.24 -5.12 115.64 115.19 1i50 s THR 95 Ca 0.30 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1i50 s THR 95 Cb 0.23 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1i50 s THR 95 CO -0.02 -0.17 0.07 -1.54 -0.69 0.00 0.00 174.62 172.27 1i50 n SER 96 N -1.92 0.16 -1.14 3.53 3.41 -1.26 -5.03 113.62 111.37 1i50 n SER 96 Ca 0.03 -1.12 -0.06 0.00 -0.26 0.00 0.00 58.87 57.46 1i50 n SER 96 Cb 0.58 -0.04 0.14 0.00 -0.26 0.00 0.00 64.21 64.63 1i50 n SER 96 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i50 n MET 97 N -1.11 2.36 -2.38 4.33 2.81 -1.26 -4.78 117.12 117.10 1i50 n MET 97 Ca 0.01 -3.64 -0.36 0.00 -1.81 0.00 0.00 57.70 51.91 1i50 n MET 97 Cb 0.05 -1.87 -0.02 0.00 -0.71 0.00 0.00 33.22 30.67 1i50 n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1i50 s VAL 98 N -3.76 3.40 -0.06 2.03 0.11 -1.26 -4.97 120.40 115.89 1i50 s VAL 98 Ca 0.43 0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 60.41 1i50 s VAL 98 Cb 0.39 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 1i50 s VAL 98 CO -0.03 -0.09 0.14 -0.76 -3.33 0.00 0.00 175.10 171.03 1i50 s LEU 99 N -3.22 4.29 -0.15 2.54 1.43 -1.26 -3.68 118.68 118.62 1i50 s LEU 99 Ca 0.65 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1i50 s LEU 99 Cb -0.23 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 1i50 s LEU 99 CO 0.28 0.33 -0.14 -0.36 0.23 0.00 0.00 176.35 176.69 1i50 s PHE 100 N -1.16 2.79 0.18 0.29 0.40 0.12 -2.13 117.98 118.48 1i50 s PHE 100 Ca 0.21 -0.98 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1i50 s PHE 100 Cb -0.12 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 1i50 s PHE 100 CO 0.11 -0.44 0.23 -0.06 0.70 0.00 0.00 175.22 175.75 1i50 s PHE 101 N 0.78 3.30 -0.18 0.36 0.40 0.76 -1.75 117.98 121.66 1i50 s PHE 101 Ca -0.05 0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1i50 s PHE 101 Cb -0.15 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1i50 s PHE 101 CO 0.01 0.51 -0.00 0.08 0.70 0.00 0.00 175.22 176.51 1i50 s VAL 102 N -1.83 0.78 0.10 -0.44 1.01 -0.56 -1.92 120.40 117.54 1i50 s VAL 102 Ca 0.33 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.41 1i50 s VAL 102 Cb -0.10 -1.14 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1i50 s VAL 102 CO 0.26 -0.06 1.68 0.00 0.00 0.00 0.00 175.10 176.99 1i50 n LEU 104 N 5.35 1.15 -0.07 0.00 4.77 0.07 -0.45 117.00 127.83 1i50 n LEU 104 Ca 0.16 -0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 55.49 1i50 n LEU 104 Cb 0.40 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1i50 n LEU 104 CO 0.63 0.27 -0.94 -1.20 -1.33 0.00 0.00 177.39 174.82 1i50 n SER 105 N 0.07 2.54 0.00 -1.43 7.64 -1.26 -4.72 113.62 116.46 1i50 n SER 105 Ca 0.10 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1i50 n SER 105 Cb 0.20 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1i50 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i50 n SER 107 N -0.26 -4.09 -4.79 0.00 3.41 0.41 -4.96 113.62 103.34 1i50 n SER 107 Ca 0.00 -0.81 -0.39 0.00 -0.26 0.00 0.00 58.87 57.41 1i50 n SER 107 Cb 0.15 -3.31 -0.06 0.00 -0.26 0.00 0.00 64.21 60.74 1i50 n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1i50 s HIS 108 N -3.23 3.78 -0.38 7.33 5.65 -1.24 -4.72 115.29 122.49 1i50 s HIS 108 Ca 0.66 1.30 -0.14 0.00 0.25 0.00 0.00 55.06 57.13 1i50 s HIS 108 Cb -0.35 -2.58 0.00 0.00 -1.18 0.00 0.00 32.58 28.48 1i50 s HIS 108 CO 0.81 0.49 0.30 0.42 -0.65 0.00 0.00 174.74 176.12 1i50 s ILE 109 N -0.78 5.24 0.43 0.89 1.01 -1.26 -0.57 121.20 126.16 1i50 s ILE 109 Ca 0.31 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1i50 s ILE 109 Cb -0.20 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1i50 s ILE 109 CO 0.19 -0.19 0.04 0.72 0.00 0.00 0.00 174.94 175.71 1i50 s PHE 110 N 1.78 2.38 0.06 3.97 -0.12 -0.81 -4.95 117.98 120.29 1i50 s PHE 110 Ca 0.07 -0.72 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1i50 s PHE 110 Cb -0.18 -1.77 -0.03 0.00 -0.63 0.00 0.00 43.02 40.40 1i50 s PHE 110 CO 0.11 0.35 -0.06 0.99 -0.05 0.00 0.00 175.22 176.56 1i50 s THR 111 N -2.73 0.47 -2.40 -4.49 2.01 -1.26 -0.17 115.64 107.06 1i50 s THR 111 Ca 0.30 -1.47 0.23 0.00 0.31 0.00 0.00 61.69 61.06 1i50 s THR 111 Cb 0.07 -1.07 0.46 0.00 0.01 0.00 0.00 72.50 71.96 1i50 s THR 111 CO 0.16 -0.67 1.55 -1.54 -0.69 0.00 0.00 174.62 173.43 1i50 n SER 112 N 0.74 1.95 -4.55 3.53 3.41 -0.91 -4.85 113.62 112.95 1i50 n SER 112 Ca -0.18 -1.72 -0.39 0.00 -0.26 0.00 0.00 58.87 56.32 1i50 n SER 112 Cb 0.58 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1i50 n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i50 s ASP 113 N -1.68 5.39 0.00 4.04 2.15 -1.26 -4.83 116.67 120.47 1i50 s ASP 113 Ca 0.34 0.24 0.04 0.00 0.43 0.00 0.00 52.55 53.60 1i50 s ASP 113 Cb 0.19 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.47 1i50 s ASP 113 CO 0.29 -2.31 0.92 0.00 -0.17 0.00 0.00 175.17 173.90 1i50 n GLN 114 N 9.21 0.06 -0.59 4.34 6.02 -1.26 0.30 117.38 135.46 1i50 n GLN 114 Ca 0.18 0.23 0.06 0.00 -0.01 0.00 0.00 57.00 57.46 1i50 n GLN 114 Cb 0.52 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.55 1i50 n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i50 n LYS 115 N -1.26 3.14 -0.93 -1.09 5.02 -1.26 -5.02 118.16 116.76 1i50 n LYS 115 Ca 0.02 -2.94 -0.45 0.00 -2.02 0.00 0.00 58.31 52.92 1i50 n LYS 115 Cb 0.03 -1.93 -0.09 0.00 -0.02 0.00 0.00 35.03 33.02 1i50 n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1i50 n ASN 116 N -0.40 0.56 -0.04 4.39 3.02 0.15 -4.81 115.26 118.13 1i50 n ASN 116 Ca 0.25 0.51 0.02 0.00 -0.03 0.00 0.00 54.58 55.33 1i50 n ASN 116 Cb 0.99 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 39.34 1i50 n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1i50 n LYS 117 N 5.60 0.77 -3.87 3.52 5.02 -1.26 -5.02 118.16 122.92 1i50 n LYS 117 Ca 0.41 -0.11 -0.21 0.00 -2.02 0.00 0.00 58.31 56.38 1i50 n LYS 117 Cb -0.03 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 1i50 n LYS 117 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1i50 s ARG 118 N -2.99 2.79 -0.16 1.97 0.52 -1.26 -5.06 118.95 114.76 1i50 s ARG 118 Ca -0.08 -1.23 0.17 0.00 -0.52 0.00 0.00 55.73 54.07 1i50 s ARG 118 Cb 0.10 -2.51 -0.24 0.00 0.52 0.00 0.00 34.95 32.82 1i50 s ARG 118 CO 0.79 0.16 0.12 2.41 0.02 0.00 0.00 175.30 178.80 1i50 n THR 119 N -1.34 1.05 -0.03 0.02 -1.04 -1.26 -4.74 114.28 106.94 1i50 n THR 119 Ca -0.03 -0.72 0.02 0.00 -2.04 0.00 0.00 64.05 61.28 1i50 n THR 119 Cb 0.59 -0.43 -0.10 0.00 -1.82 0.00 0.00 70.33 68.57 1i50 n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i50 n GLN 120 N -2.59 1.02 -2.33 -2.82 6.02 -1.26 -5.03 117.38 110.39 1i50 n GLN 120 Ca -0.25 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.51 1i50 n GLN 120 Cb 1.00 -1.32 -0.00 0.00 1.02 0.00 0.00 30.24 30.94 1i50 n GLN 120 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1i50 n PHE 121 N -2.17 -0.76 -0.18 1.08 3.01 -1.26 -5.04 117.46 112.14 1i50 n PHE 121 Ca -0.10 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1i50 n PHE 121 Cb 0.57 -3.12 0.00 0.00 -0.01 0.00 0.00 39.48 36.92 1i50 n PHE 121 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64