#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9m s GLN 3 N 0.00 3.56 -0.20 5.31 0.00 -1.26 -4.33 119.66 122.74 2b9m s GLN 3 Ca 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 55.36 55.22 2b9m s GLN 3 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 33.01 30.03 2b9m s GLN 3 CO 0.00 0.61 -0.04 0.71 0.00 0.00 0.00 175.29 176.57 2b9m s TYR 4 N -1.40 1.92 -0.17 9.60 1.51 0.15 -4.98 117.35 123.99 2b9m s TYR 4 Ca 0.31 -1.37 -0.13 0.00 -1.01 0.00 0.00 57.07 54.87 2b9m s TYR 4 Cb -0.13 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2b9m s TYR 4 CO 0.19 -0.69 0.24 -0.47 -1.11 0.00 0.00 175.55 173.71 2b9m s TYR 5 N 1.56 3.45 -0.09 2.71 6.04 -1.26 -0.53 117.35 129.23 2b9m s TYR 5 Ca -0.03 0.52 0.02 0.00 0.04 0.00 0.00 57.07 57.62 2b9m s TYR 5 Cb -0.17 -2.28 0.01 0.00 -1.04 0.00 0.00 41.96 38.48 2b9m s TYR 5 CO -0.07 0.27 -0.15 0.20 -1.54 0.00 0.00 175.55 174.26 2b9m s GLY 6 N 0.38 0.97 -0.16 8.97 0.00 0.15 -4.35 107.32 113.29 2b9m s GLY 6 Ca 0.14 -0.62 -0.13 0.00 0.00 0.00 0.00 44.72 44.10 2b9m s GLY 6 CO 0.02 0.12 0.28 -1.59 0.00 0.00 0.00 173.10 171.93 2b9m s THR 7 N 0.77 5.31 -0.28 0.90 2.01 -1.26 -1.72 115.64 121.37 2b9m s THR 7 Ca -0.12 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 2b9m s THR 7 Cb -0.16 -3.62 0.13 0.00 0.01 0.00 0.00 72.50 68.87 2b9m s THR 7 CO 0.02 0.41 0.29 -0.83 -0.69 0.00 0.00 174.62 173.82 2b9m s GLY 8 N 0.36 -0.13 0.24 4.40 0.00 -1.16 -4.21 107.32 106.82 2b9m s GLY 8 Ca 0.16 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.72 2b9m s GLY 8 CO 0.04 2.59 0.18 0.50 0.00 0.00 0.00 173.10 176.41 2b9m s ARG 9 N 2.36 2.90 0.00 2.90 0.52 -1.26 -2.39 118.95 123.97 2b9m s ARG 9 Ca 0.09 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 2b9m s ARG 9 Cb -0.14 -2.56 0.00 0.00 0.52 0.00 0.00 34.95 32.77 2b9m s ARG 9 CO -0.30 0.41 0.00 -2.13 0.02 0.00 0.00 175.30 173.30 2b9m n ARG 10 N -1.06 0.00 -3.41 3.54 0.63 -1.22 -4.71 116.66 110.43 2b9m n ARG 10 Ca -0.08 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.64 2b9m n ARG 10 Cb 0.58 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.54 2b9m n ARG 10 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2b9m n LYS 11 N -0.04 -1.82 -1.33 -0.14 4.81 -1.26 -1.67 118.16 116.71 2b9m n LYS 11 Ca 0.00 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 2b9m n LYS 11 Cb 0.00 -5.16 0.00 0.00 0.02 0.00 0.00 35.03 29.89 2b9m n LYS 11 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2b9m n GLU 12 N -3.54 -1.57 -3.87 1.64 0.00 -1.26 -4.31 120.64 107.72 2b9m n GLU 12 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.75 2b9m n GLU 12 Cb 0.61 -3.15 -0.13 0.00 0.00 0.00 0.00 31.44 28.77 2b9m n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2b9m s ALA 13 N -1.10 3.21 -0.07 -1.84 0.00 -0.67 -1.98 121.76 119.31 2b9m s ALA 13 Ca 0.00 -2.86 -0.29 0.00 0.00 0.00 0.00 51.96 48.81 2b9m s ALA 13 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 2b9m s ALA 13 CO 0.00 -1.88 0.96 0.08 0.00 0.00 0.00 175.76 174.92 2b9m s VAL 14 N 0.49 4.84 -0.06 0.00 1.01 -0.78 -3.44 120.40 122.47 2b9m s VAL 14 Ca 0.13 1.97 0.04 0.00 0.00 0.00 0.00 61.98 64.11 2b9m s VAL 14 Cb -0.22 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 2b9m s VAL 14 CO -0.04 0.08 -0.15 0.00 0.00 0.00 0.00 175.10 174.99 2b9m s ALA 15 N 1.56 2.60 -0.45 5.51 0.00 -1.01 -1.60 121.76 128.38 2b9m s ALA 15 Ca 0.48 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.48 2b9m s ALA 15 Cb -0.19 -0.95 0.14 0.00 0.00 0.00 0.00 23.12 22.11 2b9m s ALA 15 CO 0.21 0.51 0.24 0.50 0.00 0.00 0.00 175.76 177.22 2b9m s ARG 16 N -0.57 1.34 -0.18 0.00 3.52 -0.13 -2.99 118.95 119.92 2b9m s ARG 16 Ca 0.08 -2.05 -0.15 0.00 -0.13 0.00 0.00 55.73 53.48 2b9m s ARG 16 Cb -0.11 -2.41 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 2b9m s ARG 16 CO 0.01 -1.16 0.35 0.08 -0.81 0.00 0.00 175.30 173.78 2b9m s VAL 17 N 0.31 5.25 0.05 7.11 1.01 -0.70 -1.66 120.40 131.76 2b9m s VAL 17 Ca 0.18 0.64 0.09 0.00 0.00 0.00 0.00 61.98 62.88 2b9m s VAL 17 Cb -0.24 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2b9m s VAL 17 CO 0.00 0.31 -0.23 -0.36 0.00 0.00 0.00 175.10 174.82 2b9m s PHE 18 N 0.97 2.41 -0.04 5.22 0.40 -1.12 0.34 117.98 126.15 2b9m s PHE 18 Ca 0.18 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2b9m s PHE 18 Cb -0.14 -1.41 0.03 0.00 0.51 0.00 0.00 43.02 42.01 2b9m s PHE 18 CO 0.07 0.19 0.01 -0.51 0.70 0.00 0.00 175.22 175.67 2b9m s LEU 19 N -1.38 0.97 0.04 -0.37 1.43 0.31 -2.88 118.68 116.80 2b9m s LEU 19 Ca 0.13 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2b9m s LEU 19 Cb -0.10 -0.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 2b9m s LEU 19 CO 0.04 -0.13 -0.17 -0.13 0.23 0.00 0.00 176.35 176.19 2b9m s ARG 20 N 1.29 1.14 -0.04 1.70 0.52 -0.24 -0.67 118.95 122.65 2b9m s ARG 20 Ca -0.06 -0.83 -0.33 0.00 -0.52 0.00 0.00 55.73 53.99 2b9m s ARG 20 Cb -0.13 -1.20 -0.11 0.00 0.52 0.00 0.00 34.95 34.03 2b9m s ARG 20 CO -0.02 0.30 1.89 -2.30 0.02 0.00 0.00 175.30 175.19 2b9m n PRO 21 N 1.90 2.38 0.00 3.54 -0.02 -1.26 0.21 135.00 141.75 2b9m n PRO 21 Ca -0.17 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2b9m n PRO 21 Cb 0.54 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2b9m n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b9m n GLY 22 N 4.39 1.96 0.00 -1.23 0.00 -0.18 -4.49 105.19 105.65 2b9m n GLY 22 Ca 0.22 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2b9m n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b9m n ASN 23 N 0.00 0.00 -2.63 1.61 4.05 -1.25 -4.26 115.26 112.78 2b9m n ASN 23 Ca 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.93 2b9m n ASN 23 Cb 0.00 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.04 2b9m n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2b9m n GLY 24 N 5.00 2.75 3.15 8.20 0.00 -1.26 -0.41 105.19 122.61 2b9m n GLY 24 Ca 0.00 -1.57 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 2b9m n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9m s LYS 25 N -3.46 1.28 -0.10 1.61 1.02 -1.26 -4.91 119.74 113.93 2b9m s LYS 25 Ca 0.32 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.72 2b9m s LYS 25 Cb 0.40 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 2b9m s LYS 25 CO -0.02 0.34 -0.15 0.08 -0.92 0.00 0.00 175.35 174.68 2b9m s VAL 26 N -0.43 2.95 -0.94 3.17 1.01 -1.26 -2.72 120.40 122.17 2b9m s VAL 26 Ca 0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2b9m s VAL 26 Cb -0.06 -2.19 0.24 0.00 0.00 0.00 0.00 36.38 34.36 2b9m s VAL 26 CO -0.00 0.55 0.87 -0.89 0.00 0.00 0.00 175.10 175.63 2b9m s THR 27 N -0.06 5.17 -0.61 3.92 2.01 0.13 -2.83 115.64 123.37 2b9m s THR 27 Ca -0.03 -3.33 -0.27 0.00 0.31 0.00 0.00 61.69 58.37 2b9m s THR 27 Cb -0.14 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 2b9m s THR 27 CO 0.04 -1.09 1.61 -0.69 -0.69 0.00 0.00 174.62 173.80 2b9m s VAL 28 N -0.89 3.55 -0.69 3.82 1.01 0.46 -2.39 120.40 125.27 2b9m s VAL 28 Ca 0.26 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2b9m s VAL 28 Cb -0.10 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2b9m s VAL 28 CO -0.09 -1.17 0.00 -3.20 0.00 0.00 0.00 175.10 170.64 2b9m n ASN 29 N 11.06 -2.37 0.00 3.32 5.15 -0.13 -0.48 115.26 131.80 2b9m n ASN 29 Ca 0.14 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2b9m n ASN 29 Cb 0.50 -2.22 0.00 0.00 -0.53 0.00 0.00 39.78 37.53 2b9m n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b9m n GLY 30 N -0.44 1.77 3.36 8.20 0.00 -1.25 -5.07 105.19 111.76 2b9m n GLY 30 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2b9m n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2b9m s GLN 31 N -0.58 1.17 0.74 1.61 -0.21 0.37 -5.11 119.66 117.65 2b9m s GLN 31 Ca 0.00 -1.08 -0.11 0.00 0.02 0.00 0.00 55.36 54.19 2b9m s GLN 31 Cb 0.00 0.40 0.04 0.00 1.00 0.00 0.00 33.01 34.45 2b9m s GLN 31 CO 0.00 -0.44 1.08 0.34 -2.12 0.00 0.00 175.29 174.15 2b9m s ASP 32 N -2.94 4.83 0.09 5.90 -1.08 -1.26 0.17 116.67 122.40 2b9m s ASP 32 Ca 0.14 1.77 -0.31 0.00 -0.52 0.00 0.00 52.55 53.63 2b9m s ASP 32 Cb 0.03 -2.51 -0.14 0.00 -1.46 0.00 0.00 42.92 38.83 2b9m s ASP 32 CO -0.02 -1.81 1.62 0.15 0.52 0.00 0.00 175.17 175.63 2b9m h PHE 33 N -0.91 -0.90 0.00 -5.34 3.57 -1.91 -2.48 116.94 108.97 2b9m h PHE 33 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2b9m h PHE 33 Cb 1.22 0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2b9m h PHE 33 CO 0.59 -0.48 0.00 0.09 -2.23 0.00 0.00 178.31 176.28 2b9m n ASN 34 N -5.45 0.00 0.10 0.41 3.02 -1.26 -2.78 115.26 109.29 2b9m n ASN 34 Ca -0.10 -0.67 -0.23 0.00 -0.03 0.00 0.00 54.58 53.55 2b9m n ASN 34 Cb 0.35 -0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.28 2b9m n ASN 34 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2b9m h GLU 35 N 0.00 0.43 0.00 3.52 4.57 -1.82 -3.00 114.58 118.29 2b9m h GLU 35 Ca 0.00 -0.74 -0.03 0.00 -1.18 0.00 0.00 59.36 57.41 2b9m h GLU 35 Cb 0.08 0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2b9m h GLU 35 CO 0.00 1.35 -0.76 -0.92 -1.18 0.00 0.00 179.01 177.50 2b9m h TYR 36 N 0.12 0.00 -1.68 0.92 3.20 -1.59 -3.33 116.97 114.61 2b9m h TYR 36 Ca -0.31 0.00 -0.72 0.00 3.14 0.00 0.00 58.73 60.84 2b9m h TYR 36 Cb 2.12 0.00 -0.30 0.00 1.54 0.00 0.00 36.73 40.09 2b9m h TYR 36 CO 0.11 0.12 0.76 1.19 -1.64 0.00 0.00 178.16 178.69 2b9m n PHE 37 N -2.86 3.08 -1.77 -3.82 0.99 -1.12 -5.02 117.46 106.94 2b9m n PHE 37 Ca -0.00 -2.56 -0.42 0.00 -0.00 0.00 0.00 57.45 54.46 2b9m n PHE 37 Cb 0.60 -1.09 -0.03 0.00 -1.00 0.00 0.00 39.48 37.96 2b9m n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2b9m s GLN 38 N -3.95 3.11 0.00 -1.08 -1.52 -1.13 -2.83 119.66 112.25 2b9m s GLN 38 Ca 0.54 1.69 0.00 0.00 -1.95 0.00 0.00 55.36 55.64 2b9m s GLN 38 Cb 0.45 -4.32 0.00 0.00 -0.22 0.00 0.00 33.01 28.92 2b9m s GLN 38 CO -0.29 -2.13 0.00 0.41 -0.25 0.00 0.00 175.29 173.03 2b9m n GLY 39 N 5.65 0.07 3.77 3.09 0.00 -1.26 -4.93 105.19 111.57 2b9m n GLY 39 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 2b9m n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b9m s LEU 40 N 0.00 4.39 0.28 0.99 1.43 -1.13 -4.95 118.68 119.70 2b9m s LEU 40 Ca 0.00 2.31 0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2b9m s LEU 40 Cb 0.00 -3.81 0.32 0.00 0.03 0.00 0.00 46.19 42.73 2b9m s LEU 40 CO 0.00 -0.38 1.56 0.58 0.23 0.00 0.00 176.35 178.35 2b9m h VAL 41 N 2.76 1.17 0.00 -1.59 2.07 -1.91 -3.15 116.25 115.60 2b9m h VAL 41 Ca -0.48 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 64.89 2b9m h VAL 41 Cb 1.22 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2b9m h VAL 41 CO 0.65 0.56 0.00 0.54 0.02 0.00 0.00 177.57 179.34 2b9m n ARG 42 N -3.50 0.49 0.29 1.57 5.12 -1.26 -3.99 116.66 115.38 2b9m n ARG 42 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2b9m n ARG 42 Cb 0.66 -1.09 -0.06 0.00 -1.16 0.00 0.00 32.46 30.81 2b9m n ARG 42 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2b9m h ALA 43 N 2.15 -0.79 0.00 7.54 0.00 -1.86 -3.26 119.26 123.04 2b9m h ALA 43 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2b9m h ALA 43 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b9m h ALA 43 CO 0.00 -0.75 0.00 1.33 0.00 0.00 0.00 179.25 179.83 2b9m n VAL 44 N -5.30 0.51 0.22 0.00 0.24 -1.26 -3.04 118.33 109.71 2b9m n VAL 44 Ca -0.10 0.13 0.06 0.00 -2.04 0.00 0.00 64.34 62.39 2b9m n VAL 44 Cb 0.32 -0.89 0.51 0.00 -1.47 0.00 0.00 33.84 32.31 2b9m n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b9m h ALA 45 N 2.72 1.56 -1.19 2.33 0.00 -1.81 -3.14 119.26 119.73 2b9m h ALA 45 Ca 0.00 -0.19 -0.78 0.00 0.00 0.00 0.00 54.91 53.94 2b9m h ALA 45 Cb 0.12 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 17.60 2b9m h ALA 45 CO 0.00 0.26 0.96 0.00 0.00 0.00 0.00 179.25 180.47 2b9m n ALA 46 N -2.46 6.19 -1.47 0.00 0.00 -1.17 -4.14 120.51 117.46 2b9m n ALA 46 Ca -0.02 -4.42 0.00 0.00 0.00 0.00 0.00 53.44 49.00 2b9m n ALA 46 Cb 0.28 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2b9m n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2b9m n LEU 47 N -0.26 0.00 -0.09 0.00 -0.00 -1.18 -4.82 117.00 110.64 2b9m n LEU 47 Ca 0.49 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.41 2b9m n LEU 47 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.66 2b9m n LEU 47 CO 0.51 0.13 0.94 -0.08 -0.00 0.00 0.00 177.39 178.88 2b9m h GLU 48 N 0.00 0.43 0.00 1.96 4.57 -1.72 -2.63 114.58 117.20 2b9m h GLU 48 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2b9m h GLU 48 Cb 0.27 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2b9m h GLU 48 CO 0.00 0.38 0.00 -1.00 -1.18 0.00 0.00 179.01 177.21 2b9m h PRO 49 N 0.37 0.00 0.00 0.92 0.13 -1.90 -1.02 132.00 130.50 2b9m h PRO 49 Ca 0.11 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.04 2b9m h PRO 49 Cb 0.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.18 2b9m h PRO 49 CO -0.02 0.00 -1.01 1.25 -0.23 0.00 0.00 178.00 177.99 2b9m h LEU 50 N 0.00 0.00 0.00 1.56 6.46 -1.84 -3.26 115.31 118.23 2b9m h LEU 50 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2b9m h LEU 50 Cb 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2b9m h LEU 50 CO 0.00 0.91 0.00 0.54 -0.62 0.00 0.00 178.44 179.27 2b9m n ARG 51 N -3.29 0.71 -0.36 1.25 3.00 -0.39 -3.51 116.66 114.08 2b9m n ARG 51 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.81 2b9m n ARG 51 Cb 0.92 -1.34 0.14 0.00 0.00 0.00 0.00 32.46 32.18 2b9m n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2b9m h ALA 52 N 3.10 1.33 0.00 7.54 0.00 -1.60 -3.13 119.26 126.49 2b9m h ALA 52 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2b9m h ALA 52 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2b9m h ALA 52 CO 0.00 0.61 -0.51 0.28 0.00 0.00 0.00 179.25 179.63 2b9m n VAL 53 N -4.40 0.00 -1.83 0.00 0.31 -1.25 -5.07 118.33 106.08 2b9m n VAL 53 Ca 0.12 -0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.12 2b9m n VAL 53 Cb 0.04 0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 33.79 2b9m n VAL 53 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2b9m n ASP 54 N -1.27 -1.75 0.00 4.52 -0.08 -1.19 -5.13 116.55 111.66 2b9m n ASP 54 Ca 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2b9m n ASP 54 Cb 0.09 -2.27 0.00 0.00 2.34 0.00 0.00 41.12 41.29 2b9m n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2b9m n ALA 55 N 0.47 0.00 0.11 -1.67 0.00 -1.26 -5.06 120.51 113.09 2b9m n ALA 55 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 2b9m n ALA 55 Cb 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.48 2b9m n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2b9m h LEU 56 N 0.00 0.57 -6.48 0.00 6.46 -1.94 -3.39 115.31 110.53 2b9m h LEU 56 Ca 0.00 -0.66 -0.73 0.00 -0.12 0.00 0.00 57.88 56.37 2b9m h LEU 56 Cb 0.00 -0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 39.65 2b9m h LEU 56 CO 0.00 1.53 2.51 0.61 -0.62 0.00 0.00 178.44 182.46 2b9m n GLY 57 N 1.65 4.28 1.23 3.75 0.00 -1.26 -4.07 105.19 110.76 2b9m n GLY 57 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2b9m n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b9m n ARG 58 N 5.49 0.00 -5.08 1.61 1.74 0.45 -4.76 116.66 116.11 2b9m n ARG 58 Ca 0.46 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.26 2b9m n ARG 58 Cb 0.39 -0.41 -0.16 0.00 -1.02 0.00 0.00 32.46 31.27 2b9m n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2b9m s PHE 59 N -2.00 2.01 -0.03 -1.55 0.40 -0.40 -1.01 117.98 115.40 2b9m s PHE 59 Ca 0.00 -0.45 -0.30 0.00 -0.60 0.00 0.00 56.93 55.58 2b9m s PHE 59 Cb 0.00 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 2b9m s PHE 59 CO 0.00 -0.09 1.18 0.34 0.70 0.00 0.00 175.22 177.35 2b9m s ASP 60 N -0.36 7.08 -0.11 1.36 -1.08 0.58 -4.19 116.67 119.95 2b9m s ASP 60 Ca 0.04 1.83 -0.00 0.00 -0.52 0.00 0.00 52.55 53.90 2b9m s ASP 60 Cb -0.10 -2.56 -0.02 0.00 -1.46 0.00 0.00 42.92 38.78 2b9m s ASP 60 CO 0.00 -0.54 -0.10 0.00 0.52 0.00 0.00 175.17 175.06 2b9m s ALA 61 N 1.92 2.78 -0.14 3.66 0.00 -1.10 -1.08 121.76 127.80 2b9m s ALA 61 Ca 0.56 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2b9m s ALA 61 Cb -0.25 -1.25 0.06 0.00 0.00 0.00 0.00 23.12 21.68 2b9m s ALA 61 CO 0.23 0.36 0.14 -0.47 0.00 0.00 0.00 175.76 176.02 2b9m s TYR 62 N -0.06 -0.05 -0.08 0.00 5.04 -1.14 0.23 117.35 121.29 2b9m s TYR 62 Ca -0.01 0.17 0.03 0.00 -2.44 0.00 0.00 57.07 54.81 2b9m s TYR 62 Cb -0.14 -0.45 0.01 0.00 0.35 0.00 0.00 41.96 41.73 2b9m s TYR 62 CO 0.03 -0.42 -0.16 0.42 -1.34 0.00 0.00 175.55 174.08 2b9m s ILE 63 N 2.24 1.45 -0.52 3.14 1.09 -1.01 -2.80 121.20 124.79 2b9m s ILE 63 Ca 0.04 -0.66 -0.20 0.00 -1.10 0.00 0.00 60.65 58.73 2b9m s ILE 63 Cb -0.14 -1.30 0.06 0.00 -1.06 0.00 0.00 42.46 40.02 2b9m s ILE 63 CO -0.08 0.43 0.68 -0.89 -0.10 0.00 0.00 174.94 174.98 2b9m s THR 64 N 0.61 4.79 -0.03 2.92 2.01 -0.66 -0.95 115.64 124.32 2b9m s THR 64 Ca -0.15 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2b9m s THR 64 Cb -0.16 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 68.01 2b9m s THR 64 CO 0.05 -0.87 -0.05 0.54 -0.69 0.00 0.00 174.62 173.59 2b9m s VAL 65 N 2.86 0.51 0.00 3.82 0.11 -1.26 -0.96 120.40 125.48 2b9m s VAL 65 Ca 0.17 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2b9m s VAL 65 Cb -0.18 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2b9m s VAL 65 CO 0.13 0.19 0.00 -1.14 -3.33 0.00 0.00 175.10 170.95 2b9m n ARG 66 N 3.67 0.00 0.00 1.54 0.63 -0.63 -4.92 116.66 116.94 2b9m n ARG 66 Ca -0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 2b9m n ARG 66 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 2b9m n ARG 66 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2b9m n GLY 67 N 0.00 -1.26 0.00 5.14 0.00 -1.26 -1.86 105.19 105.95 2b9m n GLY 67 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2b9m n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b9m n GLY 68 N 0.00 0.00 3.67 -0.02 0.00 -0.84 -4.86 105.19 103.15 2b9m n GLY 68 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2b9m n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2b9m s GLY 69 N 0.00 -0.36 0.00 -0.02 0.00 -1.26 -5.03 107.32 100.65 2b9m s GLY 69 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2b9m s GLY 69 CO 0.00 0.84 0.00 0.28 0.00 0.00 0.00 173.10 174.22 2b9m n LYS 70 N -0.55 0.00 -0.37 2.90 4.01 -1.26 -0.55 118.16 122.34 2b9m n LYS 70 Ca -0.07 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.71 2b9m n LYS 70 Cb 0.62 0.00 0.11 0.00 -0.51 0.00 0.00 35.03 35.25 2b9m n LYS 70 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2b9m h SER 71 N 0.00 1.14 0.25 4.39 0.87 -1.98 0.14 113.55 118.37 2b9m h SER 71 Ca 0.00 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2b9m h SER 71 Cb 0.00 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 2b9m h SER 71 CO 0.00 0.83 -0.25 1.23 -0.53 0.00 0.00 176.83 178.11 2b9m h GLY 72 N 1.35 0.00 1.49 5.77 0.00 -1.73 0.94 103.07 110.88 2b9m h GLY 72 Ca 0.37 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.43 2b9m h GLY 72 CO -0.08 0.00 -1.15 1.46 0.00 0.00 0.00 176.54 176.77 2b9m h GLN 73 N 0.00 0.42 -0.16 4.80 4.20 -0.02 -3.26 115.11 121.09 2b9m h GLN 73 Ca -0.00 -0.57 -0.03 0.00 0.06 0.00 0.00 58.65 58.10 2b9m h GLN 73 Cb 0.44 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2b9m h GLN 73 CO 0.03 1.23 -0.02 0.82 -0.67 0.00 0.00 178.83 180.23 2b9m h ILE 74 N 0.18 1.27 0.00 2.54 2.04 0.22 -2.03 117.51 121.73 2b9m h ILE 74 Ca -0.14 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 2b9m h ILE 74 Cb 1.83 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2b9m h ILE 74 CO 0.20 0.27 -0.21 -2.24 0.00 0.00 0.00 178.15 176.17 2b9m h ASP 75 N 0.02 0.00 0.62 1.72 -0.00 -1.03 -2.16 116.42 115.59 2b9m h ASP 75 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.95 2b9m h ASP 75 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.73 2b9m h ASP 75 CO 0.01 0.21 -0.58 0.00 -0.00 0.00 0.00 179.24 178.88 2b9m h ALA 76 N 1.79 1.01 -0.76 4.15 0.00 -1.56 -2.86 119.26 121.03 2b9m h ALA 76 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2b9m h ALA 76 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2b9m h ALA 76 CO 0.03 0.73 0.29 0.82 0.00 0.00 0.00 179.25 181.12 2b9m h ILE 77 N 0.00 1.26 -0.53 0.00 2.04 -0.71 -2.61 117.51 116.96 2b9m h ILE 77 Ca -0.01 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 2b9m h ILE 77 Cb 1.05 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2b9m h ILE 77 CO 0.08 0.33 0.22 0.50 0.00 0.00 0.00 178.15 179.27 2b9m h LYS 78 N 1.10 0.76 0.00 2.37 3.11 -1.30 -0.40 116.57 122.21 2b9m h LYS 78 Ca 0.25 -0.11 -0.08 0.00 -2.81 0.00 0.00 60.65 57.90 2b9m h LYS 78 Cb 0.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 2b9m h LYS 78 CO -0.02 0.63 -0.37 -0.07 -2.81 0.00 0.00 179.45 176.81 2b9m h LEU 79 N 0.76 0.00 -0.12 5.20 -0.00 -1.35 -2.83 115.31 116.97 2b9m h LEU 79 Ca 0.18 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.91 2b9m h LEU 79 Cb 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2b9m h LEU 79 CO -0.02 0.37 -0.52 1.23 -0.00 0.00 0.00 178.44 179.50 2b9m h GLY 80 N 1.16 0.62 1.54 0.83 0.00 -0.75 -2.21 103.07 104.24 2b9m h GLY 80 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 2b9m h GLY 80 CO 0.05 0.76 0.28 -2.22 0.00 0.00 0.00 176.54 175.41 2b9m h ILE 81 N 0.18 1.13 -0.34 2.60 2.04 -1.14 0.12 117.51 122.10 2b9m h ILE 81 Ca -0.03 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2b9m h ILE 81 Cb 1.16 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2b9m h ILE 81 CO 0.11 0.14 -0.19 0.00 0.00 0.00 0.00 178.15 178.20 2b9m h ALA 82 N 1.68 0.48 0.00 1.87 0.00 -1.47 -2.35 119.26 119.46 2b9m h ALA 82 Ca 0.17 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2b9m h ALA 82 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2b9m h ALA 82 CO -0.03 0.43 -0.31 -0.09 0.00 0.00 0.00 179.25 179.24 2b9m h ARG 83 N 0.51 0.00 0.00 0.00 2.43 -0.92 -2.29 114.38 114.11 2b9m h ARG 83 Ca 0.07 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2b9m h ARG 83 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2b9m h ARG 83 CO 0.06 0.31 -0.17 0.00 -1.51 0.00 0.00 179.97 178.66 2b9m h ALA 84 N 1.69 1.01 0.00 2.80 0.00 -0.64 -2.67 119.26 121.44 2b9m h ALA 84 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2b9m h ALA 84 Cb 0.85 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2b9m h ALA 84 CO 0.04 0.22 -0.38 1.25 0.00 0.00 0.00 179.25 180.38 2b9m h LEU 85 N 0.00 0.00 -0.34 0.00 5.85 -0.86 -2.67 115.31 117.29 2b9m h LEU 85 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 2b9m h LEU 85 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2b9m h LEU 85 CO 0.02 0.38 -0.63 0.58 -0.34 0.00 0.00 178.44 178.45 2b9m h VAL 86 N 0.00 1.30 -0.23 1.05 2.07 -1.26 0.13 116.25 119.31 2b9m h VAL 86 Ca -0.00 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.50 2b9m h VAL 86 Cb 1.26 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2b9m h VAL 86 CO 0.05 0.59 -0.45 1.56 0.02 0.00 0.00 177.57 179.34 2b9m h GLN 87 N 0.52 0.71 0.00 1.57 1.08 -1.55 -2.90 115.11 114.55 2b9m h GLN 87 Ca -0.01 -0.46 -0.02 0.00 -1.45 0.00 0.00 58.65 56.71 2b9m h GLN 87 Cb 1.22 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2b9m h GLN 87 CO 0.13 1.08 -0.09 -0.92 -0.95 0.00 0.00 178.83 178.08 2b9m h TYR 88 N 0.43 0.08 -3.09 2.96 3.20 -1.52 -3.41 116.97 115.63 2b9m h TYR 88 Ca 0.01 -0.05 -0.62 0.00 3.14 0.00 0.00 58.73 61.21 2b9m h TYR 88 Cb 1.05 -0.01 -0.41 0.00 1.54 0.00 0.00 36.73 38.91 2b9m h TYR 88 CO 0.08 0.86 -0.69 -0.80 -1.64 0.00 0.00 178.16 175.97 2b9m s ASN 89 N -6.13 3.90 0.00 -2.11 0.01 0.44 -4.98 114.94 106.07 2b9m s ASN 89 Ca -0.17 -2.96 0.00 0.00 -0.71 0.00 0.00 52.86 49.02 2b9m s ASN 89 Cb -0.01 -1.28 0.00 0.00 0.41 0.00 0.00 41.25 40.38 2b9m s ASN 89 CO 0.70 -0.22 1.27 -0.81 -1.51 0.00 0.00 177.10 176.53 2b9m n PRO 90 N 3.13 0.83 -0.32 -0.60 -0.04 -1.09 -2.91 135.00 134.00 2b9m n PRO 90 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2b9m n PRO 90 Cb 0.35 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2b9m n PRO 90 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2b9m n ASP 91 N 1.12 0.00 -2.61 3.54 5.68 -1.26 -4.94 116.55 118.08 2b9m n ASP 91 Ca 0.00 -1.38 -0.36 0.00 -0.50 0.00 0.00 54.79 52.55 2b9m n ASP 91 Cb 0.41 -0.08 0.05 0.00 -1.14 0.00 0.00 41.12 40.37 2b9m n ASP 91 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2b9m n TYR 92 N 0.00 3.10 0.19 2.11 0.53 -1.14 -4.63 117.16 117.32 2b9m n TYR 92 Ca 0.00 -2.65 0.08 0.00 -1.02 0.00 0.00 57.90 54.31 2b9m n TYR 92 Cb 0.58 -1.19 0.24 0.00 -1.03 0.00 0.00 39.34 37.94 2b9m n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 2b9m h ARG 93 N 2.53 0.00 -0.12 -0.72 9.65 -1.92 -2.93 114.38 120.87 2b9m h ARG 93 Ca 0.56 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.44 2b9m h ARG 93 Cb 0.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 2b9m h ARG 93 CO 1.44 0.26 0.00 0.00 2.80 0.00 0.00 179.97 184.46 2b9m n ALA 94 N -2.19 2.30 0.00 2.80 0.00 -1.26 -2.86 120.51 119.30 2b9m n ALA 94 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2b9m n ALA 94 Cb 0.56 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2b9m n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2b9m n LYS 95 N -0.41 0.17 -0.03 0.00 4.76 -1.20 -4.83 118.16 116.62 2b9m n LYS 95 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 2b9m n LYS 95 Cb 0.03 -0.59 -0.11 0.00 -1.84 0.00 0.00 35.03 32.52 2b9m n LYS 95 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2b9m h LEU 96 N 0.00 0.27 -0.13 -0.35 5.85 -1.56 -3.05 115.31 116.34 2b9m h LEU 96 Ca 0.00 -0.73 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 2b9m h LEU 96 Cb 0.19 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2b9m h LEU 96 CO 0.00 0.96 0.01 0.50 -0.34 0.00 0.00 178.44 179.58 2b9m h LYS 97 N -0.40 0.22 0.00 1.25 1.63 -1.80 0.14 116.57 117.61 2b9m h LYS 97 Ca -0.03 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2b9m h LYS 97 Cb 0.99 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2b9m h LYS 97 CO 0.05 0.43 -0.09 -1.35 -3.45 0.00 0.00 179.45 175.05 2b9m h PRO 98 N -0.02 0.00 -0.01 1.90 0.11 -1.77 -0.43 132.00 131.79 2b9m h PRO 98 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2b9m h PRO 98 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 2b9m h PRO 98 CO 0.00 0.09 -0.19 1.28 -0.21 0.00 0.00 178.00 178.97 2b9m n LEU 99 N -4.04 1.30 -2.41 2.35 7.99 -1.10 -5.03 117.00 116.07 2b9m n LEU 99 Ca -0.03 -0.39 -0.02 0.00 -0.01 0.00 0.00 56.01 55.56 2b9m n LEU 99 Cb 0.17 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 2b9m n LEU 99 CO 0.32 0.23 -0.19 0.61 -1.51 0.00 0.00 177.39 176.85 2b9m n GLY 100 N 1.30 -2.74 2.63 -0.72 0.00 0.46 -5.01 105.19 101.11 2b9m n GLY 100 Ca 0.14 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.44 2b9m n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2b9m n PHE 101 N 0.14 2.64 -3.68 1.61 3.01 -1.10 -5.01 117.46 115.08 2b9m n PHE 101 Ca 0.04 -3.94 -0.11 0.00 1.01 0.00 0.00 57.45 54.45 2b9m n PHE 101 Cb 0.14 -0.47 -0.11 0.00 -0.01 0.00 0.00 39.48 39.03 2b9m n PHE 101 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2b9m s LEU 102 N -2.97 -0.22 0.00 4.37 2.34 -1.26 -4.96 118.68 115.98 2b9m s LEU 102 Ca 0.45 0.80 0.00 0.00 0.06 0.00 0.00 54.13 55.43 2b9m s LEU 102 Cb 0.29 1.10 0.00 0.00 -0.56 0.00 0.00 46.19 47.02 2b9m s LEU 102 CO -0.11 -0.21 0.00 0.41 -1.06 0.00 0.00 176.35 175.38 2b9m n THR 103 N 4.83 0.00 0.05 5.48 -1.04 -1.26 -4.92 114.28 117.41 2b9m n THR 103 Ca -0.16 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.75 2b9m n THR 103 Cb 0.52 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.90 2b9m n THR 103 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 2b9m h ARG 104 N 0.00 0.08 -2.71 -2.82 2.43 -2.00 -3.50 114.38 105.87 2b9m h ARG 104 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2b9m h ARG 104 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2b9m h ARG 104 CO 0.00 0.95 0.00 -0.25 -1.51 0.00 0.00 179.97 179.16 2b9m n ASP 105 N -3.33 -1.80 -2.65 -3.80 8.00 -1.26 -4.55 116.55 107.16 2b9m n ASP 105 Ca -0.08 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.23 2b9m n ASP 105 Cb 0.99 -0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 2b9m n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b9m n ALA 106 N -0.26 5.65 -2.56 2.24 0.00 -1.26 -4.63 120.51 119.69 2b9m n ALA 106 Ca 0.00 -2.06 -0.33 0.00 0.00 0.00 0.00 53.44 51.05 2b9m n ALA 106 Cb 0.00 -2.72 -0.00 0.00 0.00 0.00 0.00 19.45 16.73 2b9m n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b9m n ARG 107 N 3.22 3.78 -3.41 0.00 1.74 -1.26 -5.02 116.66 115.71 2b9m n ARG 107 Ca 0.47 -4.48 -0.12 0.00 -0.77 0.00 0.00 57.85 52.95 2b9m n ARG 107 Cb 0.46 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 29.55 2b9m n ARG 107 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2b9m n VAL 108 N -0.31 0.00 -1.72 1.55 0.24 -1.26 -5.06 118.33 111.77 2b9m n VAL 108 Ca 0.41 -1.52 -0.42 0.00 -2.04 0.00 0.00 64.34 60.77 2b9m n VAL 108 Cb 0.39 0.78 -0.03 0.00 -1.47 0.00 0.00 33.84 33.51 2b9m n VAL 108 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2b9m s VAL 109 N -2.85 2.54 -0.24 3.34 1.01 -1.26 -4.94 120.40 118.00 2b9m s VAL 109 Ca 0.25 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 2b9m s VAL 109 Cb 0.01 -3.04 -0.13 0.00 0.00 0.00 0.00 36.38 33.22 2b9m s VAL 109 CO 0.18 -0.00 -0.17 -1.84 0.00 0.00 0.00 175.10 173.26 2b9m n GLU 110 N 5.65 0.57 -3.60 2.72 0.00 -1.26 -5.08 120.64 119.64 2b9m n GLU 110 Ca 0.18 0.37 -0.09 0.00 0.00 0.00 0.00 57.16 57.61 2b9m n GLU 110 Cb 0.38 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 2b9m n GLU 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2b9m s ARG 111 N -2.49 0.51 0.07 3.44 3.52 -1.26 -5.14 118.95 117.59 2b9m s ARG 111 Ca -0.33 0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.33 2b9m s ARG 111 Cb 0.10 0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.67 2b9m s ARG 111 CO 0.50 -0.14 0.51 0.21 -0.81 0.00 0.00 175.30 175.56 2b9m s LYS 112 N -0.78 4.05 0.44 5.12 2.20 -1.26 -4.40 119.74 125.11 2b9m s LYS 112 Ca 0.00 0.57 0.06 0.00 -0.36 0.00 0.00 55.97 56.24 2b9m s LYS 112 Cb -0.02 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 2b9m s LYS 112 CO -0.01 0.62 0.08 0.15 -0.36 0.00 0.00 175.35 175.83 2b9m s LYS 113 N -1.30 2.10 -0.02 4.03 3.01 -1.26 -4.98 119.74 121.33 2b9m s LYS 113 Ca 0.29 -2.10 -0.30 0.00 -1.01 0.00 0.00 55.97 52.85 2b9m s LYS 113 Cb -0.18 -1.73 -0.06 0.00 -1.01 0.00 0.00 37.83 34.85 2b9m s LYS 113 CO 0.17 -0.17 1.59 1.52 0.51 0.00 0.00 175.35 178.97 2b9m s TYR 114 N -2.72 2.28 0.00 3.18 -0.00 -1.26 -4.61 117.35 114.21 2b9m s TYR 114 Ca 0.30 0.37 0.00 0.00 -0.00 0.00 0.00 57.07 57.74 2b9m s TYR 114 Cb 0.06 -3.86 0.00 0.00 -0.00 0.00 0.00 41.96 38.15 2b9m s TYR 114 CO 0.16 -3.51 0.00 0.41 -0.00 0.00 0.00 175.55 172.61 2b9m n GLY 115 N 3.99 -0.82 0.87 5.49 0.00 -1.26 -4.95 105.19 108.51 2b9m n GLY 115 Ca 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2b9m n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2b9m n LYS 116 N 0.00 0.00 -0.05 1.61 0.00 -1.26 -4.75 118.16 113.71 2b9m n LYS 116 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2b9m n LYS 116 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 2b9m n LYS 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2b9m h HIS 117 N 0.17 -0.23 0.00 5.58 3.86 -1.82 -1.28 115.15 121.42 2b9m h HIS 117 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2b9m h HIS 117 Cb 0.00 0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2b9m h HIS 117 CO 0.00 -0.05 0.00 1.17 0.86 0.00 0.00 177.93 179.91 2b9m n LYS 118 N -3.28 0.62 0.00 2.45 4.81 -1.26 -4.03 118.16 117.48 2b9m n LYS 118 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2b9m n LYS 118 Cb 0.03 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 33.89 2b9m n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2b9m n ALA 119 N 0.86 0.00 -2.65 3.14 0.00 -0.48 -4.45 120.51 116.92 2b9m n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2b9m n ALA 119 Cb 0.31 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.80 2b9m n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b9m n ARG 120 N 0.00 1.24 -3.46 0.00 1.74 -1.26 -4.90 116.66 110.04 2b9m n ARG 120 Ca 0.00 -3.04 -0.26 0.00 -0.77 0.00 0.00 57.85 53.78 2b9m n ARG 120 Cb 0.00 -1.11 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 2b9m n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2b9m n ARG 121 N -0.25 1.16 -1.71 5.56 0.63 -1.26 -5.06 116.66 115.72 2b9m n ARG 121 Ca 0.09 -3.78 -0.41 0.00 -0.92 0.00 0.00 57.85 52.83 2b9m n ARG 121 Cb 0.92 -1.80 0.02 0.00 0.45 0.00 0.00 32.46 32.04 2b9m n ARG 121 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2b9m n ALA 122 N 1.87 1.33 -1.68 5.13 0.00 -1.26 -3.74 120.51 122.16 2b9m n ALA 122 Ca 0.25 0.24 -0.47 0.00 0.00 0.00 0.00 53.44 53.47 2b9m n ALA 122 Cb 0.45 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 2b9m n ALA 122 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2b9m n PRO 123 N -0.08 2.30 -2.13 0.00 -0.04 -1.26 -4.92 135.00 128.87 2b9m n PRO 123 Ca 0.07 0.84 -0.35 0.00 -0.04 0.00 0.00 63.50 64.02 2b9m n PRO 123 Cb 0.40 -2.70 0.01 0.00 -0.04 0.00 0.00 33.50 31.18 2b9m n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2b9m s GLN 124 N 3.74 3.20 0.37 0.54 -2.07 -1.26 -5.07 119.66 119.11 2b9m s GLN 124 Ca 0.90 1.57 -0.05 0.00 -1.82 0.00 0.00 55.36 55.96 2b9m s GLN 124 Cb -0.65 -1.99 0.08 0.00 -1.09 0.00 0.00 33.01 29.37 2b9m s GLN 124 CO 0.48 -0.96 0.50 0.66 -1.32 0.00 0.00 175.29 174.65 2b9m n TYR 125 N -1.57 -3.84 -3.04 9.60 4.02 -1.26 -5.13 117.16 115.93 2b9m n TYR 125 Ca 0.11 -0.51 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 2b9m n TYR 125 Cb 0.51 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 2b9m n TYR 125 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2b9m n SER 126 N -3.26 0.00 -4.60 7.72 3.41 -1.26 -5.11 113.62 110.51 2b9m n SER 126 Ca 0.07 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 2b9m n SER 126 Cb 0.23 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2b9m n SER 126 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2b9m s LYS 127 N 0.83 3.74 0.00 4.33 -2.85 -1.26 -5.37 119.74 119.17 2b9m s LYS 127 Ca 0.00 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.63 2b9m s LYS 127 Cb 0.00 -3.91 0.00 0.00 -2.06 0.00 0.00 37.83 31.86 2b9m s LYS 127 CO 0.00 -1.36 0.31 0.54 0.10 0.00 0.00 175.35 174.94