#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4o n ASN 3 N 0.00 0.00 -4.22 4.04 5.15 -1.26 -5.10 115.26 113.87 3m4o n ASN 3 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 3m4o n ASN 3 Cb 0.00 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.48 3m4o n ASN 3 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3m4o s THR 4 N -2.00 1.78 0.00 -0.44 2.01 -1.26 -3.84 115.64 111.88 3m4o s THR 4 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3m4o s THR 4 Cb 0.00 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.16 3m4o s THR 4 CO 0.00 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.11 3m4o n LEU 5 N -4.72 0.00 -3.58 4.42 4.77 -1.26 -4.73 117.00 111.90 3m4o n LEU 5 Ca 0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 3m4o n LEU 5 Cb 0.58 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 3m4o n LEU 5 CO 0.52 0.00 0.95 0.12 -1.33 0.00 0.00 177.39 177.65 3m4o s PHE 6 N 0.00 -0.17 -0.27 -1.77 5.36 -1.26 -4.59 117.98 115.29 3m4o s PHE 6 Ca 0.00 0.11 -0.22 0.00 -0.96 0.00 0.00 56.93 55.86 3m4o s PHE 6 Cb 0.00 0.52 0.07 0.00 -0.34 0.00 0.00 43.02 43.27 3m4o s PHE 6 CO 0.00 -0.26 0.69 0.34 -1.46 0.00 0.00 175.22 174.53 3m4o s ASP 7 N -2.20 -0.79 0.00 6.13 -1.08 -1.26 -2.52 116.67 114.95 3m4o s ASP 7 Ca 0.08 1.44 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 3m4o s ASP 7 Cb -0.01 1.41 0.00 0.00 -1.46 0.00 0.00 42.92 42.86 3m4o s ASP 7 CO -0.05 -0.24 0.00 -0.67 0.52 0.00 0.00 175.17 174.72 3m4o n ASP 8 N 3.19 0.00 -4.78 -0.34 4.64 -0.51 -5.01 116.55 113.74 3m4o n ASP 8 Ca -0.16 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 52.86 3m4o n ASP 8 Cb 0.56 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.58 3m4o n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3m4o s ILE 9 N -1.68 4.49 0.20 5.18 1.01 -1.26 -0.74 121.20 128.41 3m4o s ILE 9 Ca 0.00 1.58 0.08 0.00 0.00 0.00 0.00 60.65 62.30 3m4o s ILE 9 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3m4o s ILE 9 CO 0.00 0.52 -0.14 -0.36 0.00 0.00 0.00 174.94 174.95 3m4o s PHE 10 N -1.04 1.70 -0.20 3.97 0.40 0.20 -2.85 117.98 120.16 3m4o s PHE 10 Ca 0.34 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3m4o s PHE 10 Cb -0.22 -0.79 0.05 0.00 0.51 0.00 0.00 43.02 42.57 3m4o s PHE 10 CO 0.24 0.35 -0.08 -1.14 0.70 0.00 0.00 175.22 175.29 3m4o s GLN 11 N -3.62 1.80 -0.10 0.44 2.00 0.32 -0.20 119.66 120.30 3m4o s GLN 11 Ca 0.22 -0.81 -0.30 0.00 -2.00 0.00 0.00 55.36 52.47 3m4o s GLN 11 Cb -0.01 -2.38 -0.02 0.00 0.80 0.00 0.00 33.01 31.41 3m4o s GLN 11 CO 0.07 -0.47 1.10 0.08 -0.50 0.00 0.00 175.29 175.57 3m4o s VAL 12 N 1.44 4.53 -0.55 1.34 1.01 -0.24 -0.45 120.40 127.49 3m4o s VAL 12 Ca -0.02 1.83 0.06 0.00 0.00 0.00 0.00 61.98 63.85 3m4o s VAL 12 Cb -0.17 -4.18 0.16 0.00 0.00 0.00 0.00 36.38 32.20 3m4o s VAL 12 CO -0.08 -0.03 1.10 -1.54 0.00 0.00 0.00 175.10 174.55 3m4o n SER 13 N 5.35 2.42 -3.64 3.32 3.41 -0.06 -1.52 113.62 122.91 3m4o n SER 13 Ca 0.10 -1.92 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 3m4o n SER 13 Cb 0.47 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 3m4o n SER 13 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3m4o s GLU 14 N -0.95 0.66 -0.02 4.33 2.02 -0.88 -4.93 118.70 118.93 3m4o s GLU 14 Ca 0.12 0.84 0.05 0.00 0.02 0.00 0.00 54.97 56.00 3m4o s GLU 14 Cb 0.07 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.56 3m4o s GLU 14 CO 0.09 -0.09 -0.14 0.54 0.02 0.00 0.00 175.26 175.68 3m4o s VAL 15 N 0.51 3.05 -0.32 2.63 0.11 -1.26 -2.49 120.40 122.63 3m4o s VAL 15 Ca -0.00 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 3m4o s VAL 15 Cb -0.05 -2.23 0.10 0.00 -1.53 0.00 0.00 36.38 32.67 3m4o s VAL 15 CO -0.05 0.50 0.11 -0.62 -3.33 0.00 0.00 175.10 171.70 3m4o s ASP 16 N -1.01 3.98 -1.41 3.54 2.15 -0.74 -4.95 116.67 118.22 3m4o s ASP 16 Ca 0.13 -1.69 -0.07 0.00 0.43 0.00 0.00 52.55 51.35 3m4o s ASP 16 Cb -0.11 -0.85 0.06 0.00 -0.30 0.00 0.00 42.92 41.73 3m4o s ASP 16 CO 0.03 -0.41 2.54 -0.81 -0.17 0.00 0.00 175.17 176.35 3m4o n PRO 17 N 4.78 4.29 -1.11 4.34 -0.04 -1.26 -2.11 135.00 143.89 3m4o n PRO 17 Ca -0.01 -3.09 -0.24 0.00 -0.04 0.00 0.00 63.50 60.12 3m4o n PRO 17 Cb 0.42 -2.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 3m4o n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m4o n GLY 18 N 2.32 -0.05 3.94 0.55 0.00 -1.26 -3.33 105.19 107.35 3m4o n GLY 18 Ca 0.66 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 3m4o n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4o n ARG 19 N 7.60 -0.54 -4.00 1.61 5.12 -1.26 -5.01 116.66 120.17 3m4o n ARG 19 Ca 0.38 0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 56.31 3m4o n ARG 19 Cb 0.44 -1.84 -0.11 0.00 -1.16 0.00 0.00 32.46 29.79 3m4o n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3m4o s TYR 20 N -3.57 0.31 -0.20 -1.55 4.12 -1.21 -5.07 117.35 110.18 3m4o s TYR 20 Ca 0.32 -0.61 0.05 0.00 0.02 0.00 0.00 57.07 56.85 3m4o s TYR 20 Cb -0.18 -0.22 -0.16 0.00 -1.52 0.00 0.00 41.96 39.88 3m4o s TYR 20 CO 0.80 -0.22 -0.12 0.09 0.02 0.00 0.00 175.55 176.12 3m4o n ASN 21 N 1.36 1.97 0.04 2.29 3.02 -1.26 -4.64 115.26 118.04 3m4o n ASN 21 Ca -0.22 -0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.36 3m4o n ASN 21 Cb 0.56 0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 3m4o n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m4o n LYS 22 N -2.97 0.40 -4.33 3.52 5.02 -1.26 -4.59 118.16 113.95 3m4o n LYS 22 Ca -0.34 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.72 3m4o n LYS 22 Cb 0.94 -1.64 -0.12 0.00 -0.02 0.00 0.00 35.03 34.18 3m4o n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m4o s VAL 23 N -3.27 1.87 0.03 -0.18 1.01 -1.26 -2.19 120.40 116.41 3m4o s VAL 23 Ca 0.02 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.25 3m4o s VAL 23 Cb 0.13 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3m4o s VAL 23 CO 0.80 -0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.71 3m4o s ARG 25 N -1.54 4.08 -0.19 0.00 3.52 -0.90 0.14 118.95 124.07 3m4o s ARG 25 Ca -0.13 -0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 55.14 3m4o s ARG 25 Cb -0.10 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 3m4o s ARG 25 CO -0.01 0.21 -0.00 0.42 -0.81 0.00 0.00 175.30 175.11 3m4o s ILE 26 N 0.61 4.05 -0.45 4.11 1.09 0.49 -1.80 121.20 129.30 3m4o s ILE 26 Ca 0.06 -0.29 0.03 0.00 -1.10 0.00 0.00 60.65 59.36 3m4o s ILE 26 Cb -0.12 -2.82 0.12 0.00 -1.06 0.00 0.00 42.46 38.58 3m4o s ILE 26 CO 0.01 0.45 0.19 -0.70 -0.10 0.00 0.00 174.94 174.78 3m4o s GLU 27 N 0.74 1.83 0.27 2.79 2.56 -1.04 -1.77 118.70 124.08 3m4o s GLU 27 Ca 0.00 -2.25 0.11 0.00 0.00 0.00 0.00 54.97 52.83 3m4o s GLU 27 Cb -0.14 -3.33 -0.05 0.00 2.00 0.00 0.00 34.13 32.61 3m4o s GLU 27 CO 0.02 -1.04 -0.19 0.00 -0.56 0.00 0.00 175.26 173.49 3m4o s ALA 28 N 0.33 2.63 0.34 6.30 0.00 -1.16 -0.88 121.76 129.31 3m4o s ALA 28 Ca 0.14 -1.84 0.09 0.00 0.00 0.00 0.00 51.96 50.35 3m4o s ALA 28 Cb -0.22 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 3m4o s ALA 28 CO -0.04 0.25 -0.03 0.00 0.00 0.00 0.00 175.76 175.94 3m4o s ALA 29 N -2.57 3.10 -0.15 0.00 0.00 0.40 -1.38 121.76 121.17 3m4o s ALA 29 Ca 0.29 -1.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 3m4o s ALA 29 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3m4o s ALA 29 CO 0.14 0.09 0.43 0.45 0.00 0.00 0.00 175.76 176.87 3m4o s SER 30 N -3.67 6.58 -0.07 0.00 0.15 -1.22 0.12 113.70 115.59 3m4o s SER 30 Ca 0.34 0.69 -0.30 0.00 0.70 0.00 0.00 55.95 57.38 3m4o s SER 30 Cb 0.00 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 3m4o s SER 30 CO 0.18 -0.01 1.28 0.42 1.20 0.00 0.00 173.24 176.31 3m4o s THR 31 N 0.82 4.10 0.00 6.45 -4.23 -1.13 -4.14 115.64 117.51 3m4o s THR 31 Ca 0.23 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 3m4o s THR 31 Cb -0.15 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.78 3m4o s THR 31 CO 0.08 -0.04 0.00 0.41 -0.54 0.00 0.00 174.62 174.54 3m4o n THR 32 N 4.85 0.00 -3.29 3.99 -1.04 -1.26 -4.71 114.28 112.81 3m4o n THR 32 Ca 0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 3m4o n THR 32 Cb 0.45 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.88 3m4o n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3m4o s GLN 33 N 0.00 3.08 0.00 -2.82 -0.21 -1.26 -4.93 119.66 113.52 3m4o s GLN 33 Ca 0.00 -0.90 0.07 0.00 0.02 0.00 0.00 55.36 54.54 3m4o s GLN 33 Cb 0.00 -4.03 0.39 0.00 1.00 0.00 0.00 33.01 30.37 3m4o s GLN 33 CO 0.00 -0.98 1.02 -0.25 -2.12 0.00 0.00 175.29 172.95 3m4o n ASP 34 N 5.68 0.00 -1.64 5.90 8.00 -1.26 -1.64 116.55 131.58 3m4o n ASP 34 Ca -0.08 -1.24 0.07 0.00 0.71 0.00 0.00 54.79 54.26 3m4o n ASP 34 Cb 0.46 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.93 3m4o n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m4o n GLN 35 N -0.64 4.41 -4.19 -1.24 10.64 -1.26 -4.98 117.38 120.10 3m4o n GLN 35 Ca 0.05 -3.09 -0.19 0.00 -1.83 0.00 0.00 57.00 51.94 3m4o n GLN 35 Cb 0.02 -2.16 -0.16 0.00 -0.86 0.00 0.00 30.24 27.09 3m4o n GLN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3m4o s LYS 37 N 0.53 1.41 0.07 0.00 -2.85 -1.24 -3.37 119.74 114.29 3m4o s LYS 37 Ca -0.07 -1.32 0.05 0.00 -1.00 0.00 0.00 55.97 53.64 3m4o s LYS 37 Cb -0.10 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 3m4o s LYS 37 CO 0.00 -0.55 -0.15 -1.17 0.10 0.00 0.00 175.35 173.58 3m4o s LEU 38 N -3.04 2.28 -0.10 2.77 2.96 -0.48 -2.58 118.68 120.49 3m4o s LEU 38 Ca 0.25 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3m4o s LEU 38 Cb 0.02 -0.56 0.05 0.00 0.50 0.00 0.00 46.19 46.20 3m4o s LEU 38 CO 0.08 -0.06 0.18 -0.89 -1.32 0.00 0.00 176.35 174.34 3m4o s THR 39 N -1.26 -0.29 -0.09 3.68 2.01 -0.20 -3.00 115.64 116.49 3m4o s THR 39 Ca -0.01 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 3m4o s THR 39 Cb -0.10 -0.33 0.03 0.00 0.01 0.00 0.00 72.50 72.11 3m4o s THR 39 CO 0.02 0.13 0.38 -0.22 -0.69 0.00 0.00 174.62 174.24 3m4o s LEU 40 N 2.31 0.55 -0.25 4.42 2.96 -0.73 0.05 118.68 128.00 3m4o s LEU 40 Ca 0.03 0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 54.30 3m4o s LEU 40 Cb -0.12 1.40 -0.04 0.00 0.50 0.00 0.00 46.19 47.93 3m4o s LEU 40 CO -0.06 -0.29 0.39 -1.81 -1.32 0.00 0.00 176.35 173.26 3m4o s ASP 41 N -0.49 6.32 -0.20 3.68 1.01 -1.09 0.18 116.67 126.07 3m4o s ASP 41 Ca -0.06 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.57 3m4o s ASP 41 Cb -0.04 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.69 3m4o s ASP 41 CO 0.03 -0.16 -0.15 -0.63 0.21 0.00 0.00 175.17 174.46 3m4o s ILE 42 N 1.89 2.35 -1.03 0.77 -1.09 0.38 -4.78 121.20 119.69 3m4o s ILE 42 Ca 0.17 -0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 57.36 3m4o s ILE 42 Cb -0.15 -2.07 -0.18 0.00 -1.58 0.00 0.00 42.46 38.48 3m4o s ILE 42 CO 0.09 0.42 2.14 0.21 -1.23 0.00 0.00 174.94 176.57 3m4o s ASN 43 N 1.30 3.87 0.00 3.58 3.84 -1.26 -1.37 114.94 124.90 3m4o s ASN 43 Ca 0.03 -0.84 0.11 0.00 0.21 0.00 0.00 52.86 52.36 3m4o s ASN 43 Cb -0.14 -2.58 0.48 0.00 -0.55 0.00 0.00 41.25 38.45 3m4o s ASN 43 CO -0.10 -4.20 1.31 0.52 -2.79 0.00 0.00 177.10 171.84 3m4o n VAL 44 N 8.73 1.13 0.11 -5.21 0.31 -0.93 -1.01 118.33 121.46 3m4o n VAL 44 Ca 0.43 0.28 0.04 0.00 -0.01 0.00 0.00 64.34 65.09 3m4o n VAL 44 Cb 0.46 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3m4o n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3m4o h GLU 45 N 0.00 0.00 0.00 5.55 4.81 -1.81 -3.24 114.58 119.89 3m4o h GLU 45 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3m4o h GLU 45 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3m4o h GLU 45 CO 0.00 0.29 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.28 3m4o h LEU 46 N 0.00 0.00 -7.51 1.64 3.38 -1.37 -3.45 115.31 107.99 3m4o h LEU 46 Ca -0.05 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.27 3m4o h LEU 46 Cb 1.34 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.68 3m4o h LEU 46 CO 0.04 0.44 -0.69 0.12 0.09 0.00 0.00 178.44 178.44 3m4o s PHE 47 N -1.66 3.34 0.19 1.13 5.36 -0.82 -5.09 117.98 120.42 3m4o s PHE 47 Ca -0.06 -2.96 -0.32 0.00 -0.96 0.00 0.00 56.93 52.63 3m4o s PHE 47 Cb 0.01 -2.76 -0.11 0.00 -0.34 0.00 0.00 43.02 39.82 3m4o s PHE 47 CO 0.09 -0.86 1.63 -2.14 -1.46 0.00 0.00 175.22 172.48 3m4o s PRO 48 N 0.48 4.18 -0.25 10.12 0.02 -1.22 -4.32 135.00 144.01 3m4o s PRO 48 Ca 0.13 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.57 3m4o s PRO 48 Cb -0.22 -3.12 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 3m4o s PRO 48 CO -0.06 -0.66 0.01 0.08 -0.33 0.00 0.00 177.00 176.04 3m4o s VAL 49 N 1.10 3.69 0.39 3.83 1.01 -1.26 -5.07 120.40 124.09 3m4o s VAL 49 Ca 0.72 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 3m4o s VAL 49 Cb -0.46 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3m4o s VAL 49 CO 0.32 0.30 0.63 0.00 0.00 0.00 0.00 175.10 176.35 3m4o s ALA 50 N 1.50 3.61 1.27 5.51 0.00 -1.26 -4.97 121.76 127.42 3m4o s ALA 50 Ca 0.05 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 3m4o s ALA 50 Cb -0.15 -2.26 0.31 0.00 0.00 0.00 0.00 23.12 21.02 3m4o s ALA 50 CO -0.00 -0.13 1.02 0.00 0.00 0.00 0.00 175.76 176.64 3m4o s ALA 51 N -2.46 -0.11 0.00 0.00 0.00 -1.26 -3.56 121.76 114.37 3m4o s ALA 51 Ca 0.42 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3m4o s ALA 51 Cb -0.10 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3m4o s ALA 51 CO 0.39 -3.99 0.00 1.04 0.00 0.00 0.00 175.76 173.20 3m4o n GLN 52 N -5.10 -1.70 -2.04 0.00 1.13 -0.57 -4.92 117.38 104.17 3m4o n GLN 52 Ca 0.10 0.25 -0.29 0.00 -1.94 0.00 0.00 57.00 55.12 3m4o n GLN 52 Cb 0.59 -3.83 0.03 0.00 0.11 0.00 0.00 30.24 27.14 3m4o n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3m4o s ASP 53 N -1.17 5.73 -0.07 1.08 1.11 -1.23 -4.89 116.67 117.23 3m4o s ASP 53 Ca 0.00 1.10 0.02 0.00 0.18 0.00 0.00 52.55 53.86 3m4o s ASP 53 Cb 0.00 -2.04 0.01 0.00 1.07 0.00 0.00 42.92 41.96 3m4o s ASP 53 CO 0.00 -1.11 -0.12 -0.94 1.18 0.00 0.00 175.17 174.18 3m4o s SER 54 N -4.29 1.79 0.08 0.27 1.04 -1.26 -1.07 113.70 110.26 3m4o s SER 54 Ca 0.56 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.77 3m4o s SER 54 Cb -0.11 -0.83 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 3m4o s SER 54 CO 0.50 0.03 -0.21 -0.76 0.98 0.00 0.00 173.24 173.79 3m4o s LEU 55 N 0.70 2.26 -0.30 2.42 1.43 0.72 -4.94 118.68 120.97 3m4o s LEU 55 Ca -0.14 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 3m4o s LEU 55 Cb -0.16 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 3m4o s LEU 55 CO 0.03 0.09 0.17 -0.89 0.23 0.00 0.00 176.35 175.98 3m4o s THR 56 N -1.04 4.91 -0.06 5.49 2.01 -1.20 0.63 115.64 126.38 3m4o s THR 56 Ca 0.07 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.92 3m4o s THR 56 Cb -0.10 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3m4o s THR 56 CO 0.03 0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.37 3m4o s VAL 57 N 1.68 3.81 0.30 3.82 1.01 0.08 -2.54 120.40 128.55 3m4o s VAL 57 Ca 0.06 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3m4o s VAL 57 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3m4o s VAL 57 CO 0.08 0.57 0.14 -0.89 0.00 0.00 0.00 175.10 174.99 3m4o s THR 58 N -0.86 0.42 0.00 3.92 2.01 -0.98 -1.42 115.64 118.73 3m4o s THR 58 Ca 0.13 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.13 3m4o s THR 58 Cb -0.11 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.86 3m4o s THR 58 CO 0.03 0.00 0.00 -0.38 -0.69 0.00 0.00 174.62 173.58 3m4o n ILE 59 N -0.56 0.00 -4.55 1.82 2.08 -1.05 -3.26 119.36 113.84 3m4o n ILE 59 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.33 3m4o n ILE 59 Cb 0.65 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 3m4o n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m4o n ALA 60 N -1.69 0.00 0.00 -1.39 0.00 -1.26 -3.80 120.51 112.37 3m4o n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m4o n ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3m4o n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3m4o n SER 61 N -1.37 0.00 0.00 0.00 3.41 -1.25 -3.83 113.62 110.58 3m4o n SER 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3m4o n SER 61 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3m4o n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3m4o n SER 62 N 0.00 0.00 -4.04 4.04 3.41 -1.26 -4.27 113.62 111.50 3m4o n SER 62 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 3m4o n SER 62 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3m4o n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3m4o n LEU 63 N 0.00 5.58 0.00 1.04 4.77 -1.26 -4.98 117.00 122.15 3m4o n LEU 63 Ca 0.00 -5.19 0.00 0.00 -0.03 0.00 0.00 56.01 50.79 3m4o n LEU 63 Cb 0.00 -1.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.86 3m4o n LEU 63 CO 0.00 1.63 0.00 0.41 -1.33 0.00 0.00 177.39 178.10 3m4o n THR 76 N 1.76 0.00 -0.47 -5.08 -1.04 -1.26 -4.29 114.28 103.90 3m4o n THR 76 Ca 0.25 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.11 3m4o n THR 76 Cb 0.36 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.87 3m4o n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3m4o n ARG 77 N 0.00 0.00 -1.38 -2.82 1.74 -1.26 -4.60 116.66 108.34 3m4o n ARG 77 Ca 0.00 0.00 -0.55 0.00 -0.77 0.00 0.00 57.85 56.53 3m4o n ARG 77 Cb 0.00 -0.35 -0.08 0.00 -1.02 0.00 0.00 32.46 31.00 3m4o n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3m4o n SER 78 N 0.80 0.95 -4.62 0.55 3.41 -1.26 -4.69 113.62 108.76 3m4o n SER 78 Ca 0.05 0.92 -0.52 0.00 -0.26 0.00 0.00 58.87 59.06 3m4o n SER 78 Cb 0.13 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.29 3m4o n SER 78 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3m4o n TRP 79 N 3.64 1.69 -3.43 7.33 -0.00 -1.26 -4.95 117.44 120.45 3m4o n TRP 79 Ca 0.28 0.56 -0.34 0.00 -0.00 0.00 0.00 57.50 58.01 3m4o n TRP 79 Cb -0.05 -2.38 -0.05 0.00 -0.00 0.00 0.00 31.31 28.83 3m4o n TRP 79 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3m4o s ARG 80 N 0.94 3.85 0.35 5.87 0.52 -1.26 -5.10 118.95 124.11 3m4o s ARG 80 Ca 0.85 0.32 -0.06 0.00 -0.52 0.00 0.00 55.73 56.33 3m4o s ARG 80 Cb -0.92 -2.82 0.09 0.00 0.52 0.00 0.00 34.95 31.81 3m4o s ARG 80 CO 0.48 0.43 0.23 -2.30 0.02 0.00 0.00 175.30 174.15 3m4o n PRO 81 N 0.40 -2.35 0.00 3.54 -0.02 -1.26 -5.05 135.00 130.26 3m4o n PRO 81 Ca -0.03 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 3m4o n PRO 81 Cb 0.52 -0.45 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 3m4o n PRO 81 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3m4o n PRO 82 N -2.75 2.75 0.00 0.52 -0.02 -1.26 -4.34 135.00 129.90 3m4o n PRO 82 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3m4o n PRO 82 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 3m4o n PRO 82 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3m4o n GLN 83 N 0.00 0.00 0.00 -0.52 7.27 -1.26 -4.71 117.38 118.16 3m4o n GLN 83 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 57.00 57.16 3m4o n GLN 83 Cb 0.00 -0.88 0.47 0.00 2.41 0.00 0.00 30.24 32.24 3m4o n GLN 83 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3m4o n ALA 84 N 0.05 2.02 0.85 1.69 0.00 -1.26 -2.26 120.51 121.59 3m4o n ALA 84 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3m4o n ALA 84 Cb 0.00 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 18.53 3m4o n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4o n GLY 85 N 0.16 -0.42 2.55 0.00 0.00 -1.26 -0.94 105.19 105.27 3m4o n GLY 85 Ca 0.10 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3m4o n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m4o n ASP 86 N -0.95 2.83 -3.83 1.61 -0.08 -0.96 -5.09 116.55 110.08 3m4o n ASP 86 Ca 0.09 -2.95 -0.11 0.00 -1.51 0.00 0.00 54.79 50.31 3m4o n ASP 86 Cb 0.04 -0.47 -0.09 0.00 2.34 0.00 0.00 41.12 42.95 3m4o n ASP 86 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3m4o s ARG 87 N -3.47 0.62 0.67 -0.67 0.52 -0.12 -5.08 118.95 111.42 3m4o s ARG 87 Ca 0.36 -0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 3m4o s ARG 87 Cb 0.40 0.26 -0.00 0.00 0.52 0.00 0.00 34.95 36.13 3m4o s ARG 87 CO -0.03 -0.17 1.06 -1.54 0.02 0.00 0.00 175.30 174.63 3m4o s SER 88 N -1.65 5.51 -0.30 0.23 1.04 -1.26 -4.96 113.70 112.32 3m4o s SER 88 Ca -0.11 1.64 -0.10 0.00 0.48 0.00 0.00 55.95 57.87 3m4o s SER 88 Cb -0.04 -2.50 0.14 0.00 0.10 0.00 0.00 66.02 63.72 3m4o s SER 88 CO 0.00 -1.35 0.71 -1.48 0.98 0.00 0.00 173.24 172.10 3m4o s LEU 89 N -5.31 -1.07 0.00 2.42 0.05 -1.26 -5.03 118.68 108.48 3m4o s LEU 89 Ca 0.59 1.36 0.00 0.00 0.05 0.00 0.00 54.13 56.13 3m4o s LEU 89 Cb -0.14 2.18 0.00 0.00 -2.05 0.00 0.00 46.19 46.18 3m4o s LEU 89 CO 0.51 -0.20 0.00 0.00 -0.55 0.00 0.00 176.35 176.11 3m4o n ALA 90 N 5.37 1.09 -3.71 1.48 0.00 -1.26 -4.54 120.51 118.93 3m4o n ALA 90 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.99 3m4o n ALA 90 Cb 0.50 -0.80 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 3m4o n ALA 90 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3m4o s ASP 91 N 0.33 4.76 -0.18 0.00 -4.77 -1.26 -4.83 116.67 110.72 3m4o s ASP 91 Ca 0.00 -1.24 0.16 0.00 -3.30 0.00 0.00 52.55 48.17 3m4o s ASP 91 Cb 0.00 -1.68 0.54 0.00 -1.09 0.00 0.00 42.92 40.69 3m4o s ASP 91 CO 0.00 -0.23 1.44 0.47 0.70 0.00 0.00 175.17 177.54 3m4o n ASP 92 N 4.60 3.97 -4.78 2.11 10.43 -1.26 -5.03 116.55 126.58 3m4o n ASP 92 Ca -0.14 -2.98 -0.22 0.00 2.57 0.00 0.00 54.79 54.02 3m4o n ASP 92 Cb 0.44 -0.54 -0.05 0.00 1.84 0.00 0.00 41.12 42.80 3m4o n ASP 92 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3m4o s TYR 93 N -2.76 2.78 -0.14 1.24 1.51 -1.26 -4.94 117.35 113.77 3m4o s TYR 93 Ca 0.42 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.98 3m4o s TYR 93 Cb 0.34 -1.73 -0.25 0.00 -0.11 0.00 0.00 41.96 40.21 3m4o s TYR 93 CO 0.10 0.26 0.40 -0.44 -1.11 0.00 0.00 175.55 174.75 3m4o h ASP 94 N 1.41 0.29 -3.36 2.29 3.32 -1.83 -3.49 116.42 115.06 3m4o h ASP 94 Ca -0.44 -0.80 -0.43 0.00 0.02 0.00 0.00 57.03 55.39 3m4o h ASP 94 Cb 1.25 -0.09 -0.36 0.00 0.22 0.00 0.00 39.33 40.35 3m4o h ASP 94 CO 0.61 1.67 -0.77 -0.47 -1.72 0.00 0.00 179.24 178.56 3m4o s TYR 95 N -2.47 0.78 0.00 4.55 6.04 -0.10 -5.03 117.35 121.12 3m4o s TYR 95 Ca -0.23 -0.24 0.00 0.00 0.04 0.00 0.00 57.07 56.65 3m4o s TYR 95 Cb 0.06 -0.76 -0.00 0.00 -1.04 0.00 0.00 41.96 40.21 3m4o s TYR 95 CO 0.72 -0.27 -0.02 0.08 -1.54 0.00 0.00 175.55 174.52 3m4o s VAL 96 N 1.36 0.14 0.05 3.14 1.01 -1.26 0.34 120.40 125.17 3m4o s VAL 96 Ca -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3m4o s VAL 96 Cb -0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 3m4o s VAL 96 CO -0.02 -0.04 -0.06 -0.04 0.00 0.00 0.00 175.10 174.94 3m4o s MET 97 N -0.25 0.53 -0.07 2.72 -1.94 -0.03 -4.96 119.30 115.29 3m4o s MET 97 Ca -0.02 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.14 3m4o s MET 97 Cb -0.02 -0.12 -0.01 0.00 2.01 0.00 0.00 34.83 36.69 3m4o s MET 97 CO -0.00 -0.00 -0.22 -0.47 -0.01 0.00 0.00 175.02 174.32 3m4o s TYR 98 N -2.06 2.54 0.02 -0.03 5.04 -1.26 -0.31 117.35 121.29 3m4o s TYR 98 Ca -0.06 -0.69 -0.00 0.00 -2.44 0.00 0.00 57.07 53.87 3m4o s TYR 98 Cb -0.05 -1.66 0.00 0.00 0.35 0.00 0.00 41.96 40.60 3m4o s TYR 98 CO -0.02 -0.20 0.03 0.41 -1.34 0.00 0.00 175.55 174.43 3m4o n GLY 99 N 3.04 2.87 3.31 8.97 0.00 -0.30 -4.47 105.19 118.62 3m4o n GLY 99 Ca -0.18 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 3m4o n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m4o s THR 100 N -2.55 1.95 -0.00 2.61 2.01 -0.13 -3.78 115.64 115.75 3m4o s THR 100 Ca 0.01 -1.40 -0.18 0.00 0.31 0.00 0.00 61.69 60.43 3m4o s THR 100 Cb -0.00 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.76 3m4o s THR 100 CO 0.01 0.22 0.52 0.00 -0.69 0.00 0.00 174.62 174.68 3m4o s ALA 101 N -0.88 3.57 0.00 7.40 0.00 -1.19 -0.36 121.76 130.30 3m4o s ALA 101 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3m4o s ALA 101 Cb -0.10 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.42 3m4o s ALA 101 CO 0.03 0.28 0.00 2.48 0.00 0.00 0.00 175.76 178.55 3m4o n TYR 102 N 2.38 0.00 -4.30 0.00 0.18 -0.74 -4.83 117.16 109.85 3m4o n TYR 102 Ca -0.10 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.46 3m4o n TYR 102 Cb 0.51 0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 39.36 3m4o n TYR 102 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3m4o s LYS 103 N -1.95 1.05 -0.16 -3.48 -0.14 -1.26 -5.04 119.74 108.76 3m4o s LYS 103 Ca 0.00 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 53.57 3m4o s LYS 103 Cb 0.00 -1.21 0.03 0.00 -1.68 0.00 0.00 37.83 34.97 3m4o s LYS 103 CO 0.00 0.28 -0.09 -0.06 -0.76 0.00 0.00 175.35 174.72 3m4o s PHE 104 N -1.12 1.96 -0.10 3.18 0.40 -1.26 -2.31 117.98 118.73 3m4o s PHE 104 Ca 0.04 -1.18 0.02 0.00 -0.60 0.00 0.00 56.93 55.21 3m4o s PHE 104 Cb -0.10 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 3m4o s PHE 104 CO 0.03 -0.64 -0.16 -2.00 0.70 0.00 0.00 175.22 173.15 3m4o s GLU 105 N 1.55 3.05 -0.25 0.44 2.12 -0.27 -4.99 118.70 120.35 3m4o s GLU 105 Ca 0.02 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 3m4o s GLU 105 Cb -0.14 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.78 3m4o s GLU 105 CO -0.09 0.32 1.11 -1.21 -0.54 0.00 0.00 175.26 174.85 3m4o s GLU 106 N 0.05 4.18 -0.62 4.30 0.41 -1.26 -1.76 118.70 123.99 3m4o s GLU 106 Ca -0.06 1.33 -0.01 0.00 -0.41 0.00 0.00 54.97 55.81 3m4o s GLU 106 Cb -0.15 -3.71 0.47 0.00 -1.78 0.00 0.00 34.13 28.97 3m4o s GLU 106 CO 0.05 -0.76 1.97 0.28 -0.49 0.00 0.00 175.26 176.31 3m4o n VAL 107 N 5.55 3.52 -1.16 2.63 0.31 -1.09 -5.00 118.33 123.09 3m4o n VAL 107 Ca 0.13 -2.92 0.07 0.00 -0.01 0.00 0.00 64.34 61.60 3m4o n VAL 107 Cb 0.46 -1.09 -0.02 0.00 -0.91 0.00 0.00 33.84 32.29 3m4o n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3m4o n SER 108 N -0.93 -3.71 0.00 4.52 3.41 -1.26 -4.73 113.62 110.92 3m4o n SER 108 Ca 0.61 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3m4o n SER 108 Cb 0.77 -1.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 3m4o n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m4o n LYS 109 N -1.89 0.00 -1.01 4.33 5.02 -1.26 -1.61 118.16 121.74 3m4o n LYS 109 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 3m4o n LYS 109 Cb 0.22 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.20 3m4o n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3m4o n ASP 110 N -0.54 -3.56 -3.80 4.39 3.85 -1.26 -5.02 116.55 110.61 3m4o n ASP 110 Ca 0.00 0.17 -0.13 0.00 -0.71 0.00 0.00 54.79 54.12 3m4o n ASP 110 Cb 0.00 -2.80 -0.13 0.00 -1.35 0.00 0.00 41.12 36.85 3m4o n ASP 110 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3m4o s LEU 111 N -1.93 1.17 -0.09 -2.12 1.43 -0.63 -4.72 118.68 111.78 3m4o s LEU 111 Ca 0.00 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.33 3m4o s LEU 111 Cb 0.00 0.58 0.03 0.00 0.03 0.00 0.00 46.19 46.83 3m4o s LEU 111 CO 0.00 -0.08 0.34 -0.63 0.23 0.00 0.00 176.35 176.21 3m4o s ILE 112 N 0.35 0.02 0.02 -0.59 1.01 -0.92 -2.66 121.20 118.43 3m4o s ILE 112 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3m4o s ILE 112 Cb -0.03 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 3m4o s ILE 112 CO -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 174.94 174.74 3m4o s ALA 113 N -0.29 0.83 0.23 9.38 0.00 -0.73 -1.37 121.76 129.82 3m4o s ALA 113 Ca -0.04 -0.63 0.12 0.00 0.00 0.00 0.00 51.96 51.40 3m4o s ALA 113 Cb -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 3m4o s ALA 113 CO 0.02 0.14 -0.21 0.14 0.00 0.00 0.00 175.76 175.85 3m4o s VAL 114 N -0.74 2.47 -0.11 0.00 -7.23 -0.28 -1.12 120.40 113.40 3m4o s VAL 114 Ca -0.01 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 57.98 3m4o s VAL 114 Cb -0.07 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.65 3m4o s VAL 114 CO 0.01 -0.25 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.11 3m4o s TYR 115 N -2.07 1.79 -0.03 2.82 1.51 -0.98 -2.02 117.35 118.37 3m4o s TYR 115 Ca 0.25 -0.87 0.07 0.00 -1.01 0.00 0.00 57.07 55.51 3m4o s TYR 115 Cb -0.07 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 3m4o s TYR 115 CO 0.13 -0.50 -0.24 0.71 -1.11 0.00 0.00 175.55 174.54 3m4o s TYR 116 N 1.25 2.20 -0.27 2.71 4.12 -0.84 -1.79 117.35 124.72 3m4o s TYR 116 Ca -0.02 -0.49 0.02 0.00 0.02 0.00 0.00 57.07 56.61 3m4o s TYR 116 Cb -0.14 -1.43 0.06 0.00 -1.52 0.00 0.00 41.96 38.94 3m4o s TYR 116 CO -0.05 -0.09 -0.08 0.45 0.02 0.00 0.00 175.55 175.81 3m4o s SER 117 N -0.44 4.55 -1.23 2.29 0.15 0.51 -0.46 113.70 119.07 3m4o s SER 117 Ca 0.06 -1.47 -0.08 0.00 0.70 0.00 0.00 55.95 55.16 3m4o s SER 117 Cb -0.10 -1.58 0.21 0.00 -1.71 0.00 0.00 66.02 62.83 3m4o s SER 117 CO 0.00 -0.22 1.77 0.49 1.20 0.00 0.00 173.24 176.48 3m4o n PHE 118 N 4.44 2.76 -3.85 3.44 3.01 -0.86 -0.96 117.46 125.45 3m4o n PHE 118 Ca -0.12 -2.74 -0.25 0.00 1.01 0.00 0.00 57.45 55.35 3m4o n PHE 118 Cb 0.42 -1.76 0.01 0.00 -0.01 0.00 0.00 39.48 38.15 3m4o n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m4o n GLY 119 N 2.40 -0.33 0.00 1.37 0.00 -1.26 -3.45 105.19 103.92 3m4o n GLY 119 Ca 0.36 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3m4o n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m4o n GLY 120 N -1.69 2.00 3.58 -0.02 0.00 -1.26 -5.03 105.19 102.76 3m4o n GLY 120 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3m4o n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4o s LEU 121 N 0.00 3.89 0.51 0.99 1.43 -1.22 -5.02 118.68 119.25 3m4o s LEU 121 Ca 0.00 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 3m4o s LEU 121 Cb 0.00 -3.31 0.03 0.00 0.03 0.00 0.00 46.19 42.95 3m4o s LEU 121 CO 0.00 -1.10 0.70 -0.76 0.23 0.00 0.00 176.35 175.42 3m4o s LEU 122 N 3.95 3.40 -0.06 1.79 1.43 -1.25 -2.03 118.68 125.92 3m4o s LEU 122 Ca 0.40 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3m4o s LEU 122 Cb -0.09 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.54 3m4o s LEU 122 CO 0.27 -1.05 0.15 -0.32 0.23 0.00 0.00 176.35 175.64 3m4o s MET 123 N -4.60 0.16 -0.16 1.70 -2.45 0.39 -2.69 119.30 111.65 3m4o s MET 123 Ca 0.57 0.25 0.01 0.00 -1.25 0.00 0.00 55.69 55.27 3m4o s MET 123 Cb -0.09 0.02 0.01 0.00 1.25 0.00 0.00 34.83 36.02 3m4o s MET 123 CO 0.37 -0.05 -0.18 0.50 1.05 0.00 0.00 175.02 176.70 3m4o s ARG 124 N 0.34 3.10 -0.04 4.11 3.52 0.11 -1.98 118.95 128.11 3m4o s ARG 124 Ca -0.02 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 3m4o s ARG 124 Cb -0.03 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.79 3m4o s ARG 124 CO -0.01 -0.06 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.13 3m4o s LEU 125 N 0.98 1.75 -0.04 -0.88 2.96 -0.86 -1.04 118.68 121.56 3m4o s LEU 125 Ca -0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3m4o s LEU 125 Cb -0.15 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 45.86 3m4o s LEU 125 CO -0.04 0.07 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.25 3m4o s GLU 126 N 0.31 1.27 0.00 1.98 2.12 -1.07 -1.12 118.70 122.19 3m4o s GLU 126 Ca -0.06 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.91 3m4o s GLU 126 Cb -0.11 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.15 3m4o s GLU 126 CO 0.01 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 3m4o n GLY 127 N 3.49 -1.03 0.00 -1.50 0.00 -0.47 -3.69 105.19 101.99 3m4o n GLY 127 Ca -0.20 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3m4o n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m4o n ASN 128 N 0.00 0.00 0.31 1.61 5.15 -1.26 -2.17 115.26 118.91 3m4o n ASN 128 Ca 0.00 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.18 3m4o n ASN 128 Cb 0.00 0.00 1.02 0.00 -0.53 0.00 0.00 39.78 40.27 3m4o n ASN 128 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 3m4o h TYR 129 N 0.00 0.00 -0.08 1.20 -0.00 -1.98 -2.53 116.97 113.58 3m4o h TYR 129 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 3m4o h TYR 129 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 3m4o h TYR 129 CO 0.00 0.01 0.06 0.54 -0.00 0.00 0.00 178.16 178.76 3m4o n ARG 130 N -3.13 1.11 0.00 0.10 1.74 -1.26 -4.28 116.66 110.93 3m4o n ARG 130 Ca -0.02 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 3m4o n ARG 130 Cb 0.16 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3m4o n ARG 130 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3m4o n ASN 131 N 0.57 0.00 -0.39 0.55 3.02 -0.95 -3.73 115.26 114.33 3m4o n ASN 131 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 3m4o n ASN 131 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 3m4o n ASN 131 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3m4o n LEU 132 N -0.34 0.25 0.00 3.41 4.77 -1.26 -3.52 117.00 120.31 3m4o n LEU 132 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3m4o n LEU 132 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3m4o n LEU 132 CO 0.00 0.06 -0.16 0.59 -1.33 0.00 0.00 177.39 176.55 3m4o n ASN 133 N 0.15 1.62 -3.18 -1.43 3.02 -1.26 -4.94 115.26 109.24 3m4o n ASN 133 Ca 0.00 -0.17 -0.24 0.00 -0.03 0.00 0.00 54.58 54.15 3m4o n ASN 133 Cb 0.06 0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 39.84 3m4o n ASN 133 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m4o n ASN 134 N -0.82 2.10 -4.00 6.41 2.85 -1.23 -4.73 115.26 115.83 3m4o n ASN 134 Ca 0.00 -3.17 -0.38 0.00 -0.11 0.00 0.00 54.58 50.92 3m4o n ASN 134 Cb 0.00 -0.62 0.03 0.00 1.24 0.00 0.00 39.78 40.43 3m4o n ASN 134 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3m4o n LEU 135 N 0.60 -3.70 -1.20 1.20 4.77 -1.26 -4.76 117.00 112.65 3m4o n LEU 135 Ca 0.26 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3m4o n LEU 135 Cb 0.51 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3m4o n LEU 135 CO 0.27 -3.34 0.65 0.29 -1.33 0.00 0.00 177.39 173.94 3m4o n LYS 136 N 2.45 0.95 -3.74 3.23 4.01 -1.26 -4.94 118.16 118.85 3m4o n LYS 136 Ca -0.02 0.00 -0.20 0.00 -0.51 0.00 0.00 58.31 57.58 3m4o n LYS 136 Cb 0.71 -1.03 -0.02 0.00 -0.51 0.00 0.00 35.03 34.19 3m4o n LYS 136 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 3m4o s GLN 137 N 0.07 3.14 0.22 1.97 0.74 -1.26 -4.95 119.66 119.60 3m4o s GLN 137 Ca 0.00 -0.98 0.04 0.00 0.05 0.00 0.00 55.36 54.47 3m4o s GLN 137 Cb 0.00 -2.77 0.21 0.00 1.10 0.00 0.00 33.01 31.55 3m4o s GLN 137 CO 0.00 0.22 1.53 0.93 -0.55 0.00 0.00 175.29 177.42 3m4o h GLU 138 N 1.09 0.23 -7.10 1.67 4.39 -1.90 -3.13 114.58 109.82 3m4o h GLU 138 Ca -0.48 -0.17 -0.51 0.00 0.34 0.00 0.00 59.36 58.54 3m4o h GLU 138 Cb 1.25 0.03 0.09 0.00 -0.10 0.00 0.00 28.75 30.02 3m4o h GLU 138 CO 0.57 0.80 0.44 -0.80 -1.16 0.00 0.00 179.01 178.86 3m4o s ASN 139 N -6.90 5.45 0.00 1.42 0.02 -1.26 -4.38 114.94 109.28 3m4o s ASN 139 Ca -0.04 2.25 0.00 0.00 -1.02 0.00 0.00 52.86 54.05 3m4o s ASN 139 Cb 0.12 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.80 3m4o s ASN 139 CO 0.80 -1.41 0.00 0.00 0.02 0.00 0.00 177.10 176.51 3m4o n ALA 140 N -1.52 0.00 -2.29 0.60 0.00 -1.25 -4.68 120.51 111.37 3m4o n ALA 140 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 3m4o n ALA 140 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 3m4o n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3m4o s TYR 141 N 0.00 3.15 -0.08 0.00 1.51 -1.25 -1.15 117.35 119.54 3m4o s TYR 141 Ca 0.00 0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 56.16 3m4o s TYR 141 Cb 0.00 -2.33 0.04 0.00 -0.11 0.00 0.00 41.96 39.57 3m4o s TYR 141 CO 0.00 -0.38 0.14 -1.17 -1.11 0.00 0.00 175.55 173.03 3m4o s LEU 142 N -4.53 0.04 -0.21 -1.29 2.96 0.57 -4.40 118.68 111.83 3m4o s LEU 142 Ca 0.49 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 3m4o s LEU 142 Cb -0.10 0.22 0.03 0.00 0.50 0.00 0.00 46.19 46.85 3m4o s LEU 142 CO 0.37 -0.23 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.25 3m4o s LEU 143 N 2.15 2.64 -0.10 -0.68 1.02 -1.20 -0.85 118.68 121.66 3m4o s LEU 143 Ca 0.02 -0.87 0.01 0.00 0.02 0.00 0.00 54.13 53.31 3m4o s LEU 143 Cb -0.12 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 3m4o s LEU 143 CO -0.05 -0.07 -0.11 -0.63 0.02 0.00 0.00 176.35 175.51 3m4o s ILE 144 N 1.25 3.26 0.08 -0.59 1.01 0.15 -2.33 121.20 124.04 3m4o s ILE 144 Ca 0.01 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3m4o s ILE 144 Cb -0.15 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3m4o s ILE 144 CO -0.09 0.55 -0.11 0.00 0.00 0.00 0.00 174.94 175.29 3m4o s ARG 145 N -0.17 0.81 0.00 2.79 1.70 -1.05 -0.93 118.95 122.11 3m4o s ARG 145 Ca 0.00 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 3m4o s ARG 145 Cb -0.13 -0.62 0.00 0.00 -0.57 0.00 0.00 34.95 33.63 3m4o s ARG 145 CO 0.03 0.11 0.00 0.54 -1.08 0.00 0.00 175.30 174.91