#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bio s LEU 17 N 0.00 3.78 -1.52 1.39 1.43 0.03 -4.12 118.68 119.66 1bio s LEU 17 Ca 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1bio s LEU 17 Cb 0.00 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1bio s LEU 17 CO 0.00 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1bio n GLY 18 N 2.35 0.67 0.00 -3.19 0.00 -1.23 -1.38 105.19 102.41 1bio n GLY 18 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1bio n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bio n GLY 19 N -1.02 2.95 3.08 -0.02 0.00 -1.26 -4.78 105.19 104.13 1bio n GLY 19 Ca -0.17 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 43.78 1bio n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bio s ARG 20 N 2.86 0.57 0.29 1.61 0.52 -0.54 -4.95 118.95 119.32 1bio s ARG 20 Ca 0.00 -1.14 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 1bio s ARG 20 Cb 0.00 0.20 -0.10 0.00 0.52 0.00 0.00 34.95 35.57 1bio s ARG 20 CO 0.00 -0.10 1.32 -2.00 0.02 0.00 0.00 175.30 174.53 1bio s GLU 21 N -3.60 4.36 0.53 3.54 2.12 -1.26 -1.02 118.70 123.37 1bio s GLU 21 Ca 0.04 2.19 -0.15 0.00 0.36 0.00 0.00 54.97 57.41 1bio s GLU 21 Cb 0.06 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.27 1bio s GLU 21 CO -0.09 -0.22 0.98 0.00 -0.54 0.00 0.00 175.26 175.39 1bio s ALA 22 N -0.75 3.10 0.03 6.30 0.00 0.52 -4.80 121.76 126.15 1bio s ALA 22 Ca 0.52 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 1bio s ALA 22 Cb -0.39 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1bio s ALA 22 CO 0.48 -0.32 1.57 -2.00 0.00 0.00 0.00 175.76 175.50 1bio s GLU 23 N -4.29 4.22 -0.13 0.00 2.12 -1.26 -4.88 118.70 114.48 1bio s GLU 23 Ca 0.57 2.20 -0.37 0.00 0.36 0.00 0.00 54.97 57.74 1bio s GLU 23 Cb -0.10 -3.64 -0.14 0.00 0.26 0.00 0.00 34.13 30.51 1bio s GLU 23 CO 0.36 -0.70 1.76 0.00 -0.54 0.00 0.00 175.26 176.15 1bio n ALA 24 N 5.73 0.36 -1.55 6.30 0.00 -1.26 -1.86 120.51 128.23 1bio n ALA 24 Ca 0.15 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 1bio n ALA 24 Cb 0.42 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 1bio n ALA 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bio n HIS 25 N 5.58 -0.07 0.88 0.00 8.25 -1.26 -4.87 115.22 123.73 1bio n HIS 25 Ca 0.23 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.83 1bio n HIS 25 Cb 0.22 -2.87 0.49 0.00 1.12 0.00 0.00 29.99 28.95 1bio n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bio n ALA 26 N 1.03 2.53 -3.62 -1.41 0.00 -0.77 -3.96 120.51 114.31 1bio n ALA 26 Ca -0.17 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 1bio n ALA 26 Cb 0.54 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 1bio n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bio n ARG 27 N -1.72 1.66 0.12 0.00 1.74 -1.26 -4.97 116.66 112.22 1bio n ARG 27 Ca 0.06 -4.21 0.08 0.00 -0.77 0.00 0.00 57.85 53.01 1bio n ARG 27 Cb 0.37 -2.08 0.40 0.00 -1.02 0.00 0.00 32.46 30.13 1bio n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bio n PRO 28 N 1.74 0.10 0.02 5.56 -0.04 -1.25 -1.68 135.00 139.44 1bio n PRO 28 Ca 0.24 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.42 1bio n PRO 28 Cb 0.40 -1.84 0.30 0.00 -0.04 0.00 0.00 33.50 32.33 1bio n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1bio n TYR 29 N -2.02 0.22 -2.15 0.54 0.18 -1.13 -2.18 117.16 110.62 1bio n TYR 29 Ca -0.01 0.06 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 1bio n TYR 29 Cb 0.04 -0.45 -0.03 0.00 -0.38 0.00 0.00 39.34 38.52 1bio n TYR 29 CO 0.00 0.00 0.00 1.41 -2.08 0.00 0.00 176.86 176.19 1bio s MET 30 N -3.06 4.30 0.08 -3.48 1.75 -0.68 -0.84 119.30 117.38 1bio s MET 30 Ca 0.10 2.09 0.07 0.00 -1.25 0.00 0.00 55.69 56.70 1bio s MET 30 Cb 0.16 -3.30 -0.03 0.00 2.84 0.00 0.00 34.83 34.50 1bio s MET 30 CO 0.67 -0.48 -0.20 0.00 -0.65 0.00 0.00 175.02 174.36 1bio s ALA 31 N 1.36 1.68 -0.29 4.11 0.00 -0.64 -4.36 121.76 123.62 1bio s ALA 31 Ca 0.65 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 1bio s ALA 31 Cb -0.37 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1bio s ALA 31 CO 0.30 0.34 0.02 0.45 0.00 0.00 0.00 175.76 176.87 1bio s SER 32 N -1.60 4.83 -0.15 0.00 0.15 -0.78 -1.34 113.70 114.80 1bio s SER 32 Ca 0.06 -0.94 -0.25 0.00 0.70 0.00 0.00 55.95 55.52 1bio s SER 32 Cb -0.09 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1bio s SER 32 CO 0.03 -0.20 0.80 -0.69 1.20 0.00 0.00 173.24 174.37 1bio s VAL 33 N 1.38 4.92 0.18 4.45 1.01 0.30 -0.53 120.40 132.11 1bio s VAL 33 Ca -0.00 1.57 0.11 0.00 0.00 0.00 0.00 61.98 63.65 1bio s VAL 33 Cb -0.18 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1bio s VAL 33 CO -0.01 0.07 -0.23 -1.10 0.00 0.00 0.00 175.10 173.84 1bio s GLN 34 N 1.89 1.43 -0.15 2.72 -0.21 0.50 -0.92 119.66 124.92 1bio s GLN 34 Ca 0.38 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.29 1bio s GLN 34 Cb -0.17 -1.70 0.03 0.00 1.00 0.00 0.00 33.01 32.17 1bio s GLN 34 CO 0.13 0.37 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.40 1bio s LEU 35 N -2.58 1.65 -1.37 2.90 2.96 -0.25 -1.32 118.68 120.67 1bio s LEU 35 Ca 0.18 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1bio s LEU 35 Cb -0.08 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.56 1bio s LEU 35 CO 0.08 -0.11 0.61 0.59 -1.32 0.00 0.00 176.35 176.21 1bio n ASN 36 N 4.82 -1.09 0.00 3.68 3.02 -0.13 -1.61 115.26 123.94 1bio n ASN 36 Ca -0.15 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1bio n ASN 36 Cb 0.49 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 36.01 1bio n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bio n GLY 38 N -1.73 0.57 3.40 7.41 0.00 -1.26 -5.00 105.19 108.58 1bio n GLY 38 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1bio n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bio s ALA 39 N -2.61 2.56 0.21 4.61 0.00 -0.63 -5.08 121.76 120.82 1bio s ALA 39 Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 1bio s ALA 39 Cb 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 23.12 21.99 1bio s ALA 39 CO 0.00 0.42 1.63 1.58 0.00 0.00 0.00 175.76 179.40 1bio n HIS 40 N 2.84 2.59 0.01 0.00 -0.00 -1.26 -1.09 115.22 118.31 1bio n HIS 40 Ca -0.18 0.17 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1bio n HIS 40 Cb 0.52 -2.61 -0.00 0.00 -0.00 0.00 0.00 29.99 27.90 1bio n HIS 40 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1bio n LEU 41 N 3.34 0.45 -4.07 0.27 7.94 -0.10 -4.86 117.00 119.96 1bio n LEU 41 Ca 0.15 0.06 -0.07 0.00 -1.11 0.00 0.00 56.01 55.03 1bio n LEU 41 Cb 0.33 -0.14 -0.10 0.00 0.53 0.00 0.00 43.42 44.04 1bio n LEU 41 CO 0.64 -0.25 -0.34 0.00 -1.11 0.00 0.00 177.39 176.32 1bio s GLY 43 N -2.87 1.63 0.25 0.00 0.00 -0.19 -0.54 107.32 105.59 1bio s GLY 43 Ca 0.06 -0.76 -0.22 0.00 0.00 0.00 0.00 44.72 43.81 1bio s GLY 43 CO -0.10 -0.25 0.83 -0.32 0.00 0.00 0.00 173.10 173.26 1bio s GLY 44 N -4.60 -0.05 -0.04 0.20 0.00 -0.45 -3.50 107.32 98.88 1bio s GLY 44 Ca 0.63 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 1bio s GLY 44 CO 0.49 0.10 0.08 0.54 0.00 0.00 0.00 173.10 174.31 1bio s VAL 45 N -3.33 -0.04 -0.29 1.40 0.11 0.03 -1.62 120.40 116.65 1bio s VAL 45 Ca 0.13 0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 1bio s VAL 45 Cb -0.04 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 1bio s VAL 45 CO 0.06 0.07 1.24 -0.22 -3.33 0.00 0.00 175.10 172.91 1bio s LEU 46 N 0.92 3.92 -0.00 2.54 2.96 -0.02 -0.67 118.68 128.33 1bio s LEU 46 Ca -0.07 1.20 0.12 0.00 -0.22 0.00 0.00 54.13 55.16 1bio s LEU 46 Cb -0.10 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.91 1bio s LEU 46 CO -0.04 -1.00 0.46 1.33 -1.32 0.00 0.00 176.35 175.78 1bio n VAL 47 N 6.05 0.00 -3.84 1.68 0.24 -0.67 -0.95 118.33 120.84 1bio n VAL 47 Ca 0.14 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 1bio n VAL 47 Cb 0.47 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 1bio n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bio s ALA 48 N -2.26 -0.66 0.51 2.33 0.00 -1.13 -4.73 121.76 115.82 1bio s ALA 48 Ca 0.03 -0.47 0.20 0.00 0.00 0.00 0.00 51.96 51.71 1bio s ALA 48 Cb 0.09 0.90 1.29 0.00 0.00 0.00 0.00 23.12 25.39 1bio s ALA 48 CO 0.49 -0.81 2.05 0.93 0.00 0.00 0.00 175.76 178.42 1bio h GLU 49 N 2.25 0.07 -0.06 0.00 5.08 -1.95 -2.81 114.58 117.17 1bio h GLU 49 Ca -0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1bio h GLU 49 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1bio h GLU 49 CO 0.38 0.05 0.00 0.94 -1.00 0.00 0.00 179.01 179.37 1bio n GLN 50 N -4.45 2.58 -4.28 2.33 7.27 -1.26 -0.85 117.38 118.72 1bio n GLN 50 Ca 0.05 -1.89 -0.21 0.00 0.07 0.00 0.00 57.00 55.02 1bio n GLN 50 Cb 0.38 -1.20 -0.16 0.00 2.41 0.00 0.00 30.24 31.67 1bio n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1bio s TRP 51 N -1.54 0.91 -0.11 3.69 0.52 -1.06 -0.86 118.94 120.49 1bio s TRP 51 Ca 0.13 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 55.99 1bio s TRP 51 Cb 0.10 -0.74 -0.01 0.00 -1.15 0.00 0.00 33.47 31.67 1bio s TRP 51 CO 0.03 -0.20 -0.20 0.08 0.02 0.00 0.00 176.95 176.68 1bio s VAL 52 N 0.79 2.43 -0.12 4.03 1.01 -0.46 -1.67 120.40 126.41 1bio s VAL 52 Ca -0.12 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 1bio s VAL 52 Cb -0.14 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1bio s VAL 52 CO 0.01 0.55 0.31 -0.22 0.00 0.00 0.00 175.10 175.74 1bio s LEU 53 N 0.33 4.31 0.00 3.92 2.96 0.15 -0.48 118.68 129.86 1bio s LEU 53 Ca -0.16 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1bio s LEU 53 Cb -0.17 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1bio s LEU 53 CO 0.08 0.18 0.00 -0.24 -1.32 0.00 0.00 176.35 175.04 1bio n SER 54 N 3.05 0.00 -4.69 3.68 2.88 0.23 -0.79 113.62 117.98 1bio n SER 54 Ca -0.13 -0.25 -0.33 0.00 -1.33 0.00 0.00 58.87 56.82 1bio n SER 54 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1bio n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bio s ALA 55 N -1.77 3.31 0.16 -1.46 0.00 -1.26 -1.26 121.76 119.49 1bio s ALA 55 Ca 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1bio s ALA 55 Cb 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.76 1bio s ALA 55 CO 0.00 0.64 1.77 0.00 0.00 0.00 0.00 175.76 178.16 1bio h ALA 56 N 4.53 0.64 0.00 0.00 0.00 -1.65 -2.77 119.26 120.01 1bio h ALA 56 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1bio h ALA 56 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bio h ALA 56 CO 0.57 0.16 0.08 0.45 0.00 0.00 0.00 179.25 180.52 1bio h HIS 57 N 0.66 0.00 0.11 0.00 3.86 -1.87 -2.49 115.15 115.41 1bio h HIS 57 Ca 0.18 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1bio h HIS 57 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1bio h HIS 57 CO -0.02 0.00 -0.05 0.00 0.86 0.00 0.00 177.93 178.72 1bio n LEU 59 N -5.13 0.88 -0.11 0.00 4.32 -0.95 -2.60 117.00 113.42 1bio n LEU 59 Ca -0.08 -0.37 -0.12 0.00 -0.02 0.00 0.00 56.01 55.42 1bio n LEU 59 Cb 0.10 -0.06 -0.03 0.00 -1.62 0.00 0.00 43.42 41.81 1bio n LEU 59 CO 0.34 0.18 0.64 -0.33 -1.22 0.00 0.00 177.39 177.00 1bio h GLU 60 N 1.17 0.69 -1.97 3.23 5.08 -1.44 -3.36 114.58 117.99 1bio h GLU 60 Ca 0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1bio h GLU 60 Cb 0.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1bio h GLU 60 CO 0.00 0.92 0.00 -3.47 -1.00 0.00 0.00 179.01 175.46 1bio n ASP 61 N -4.33 5.28 0.00 1.42 2.03 -1.07 -5.00 116.55 114.87 1bio n ASP 61 Ca -0.03 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1bio n ASP 61 Cb 0.41 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1bio n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bio n ALA 61 N 1.46 0.00 -2.21 -1.67 0.00 -1.26 -5.01 120.51 111.82 1bio n ALA 61 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1bio n ALA 61 Cb 0.50 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.99 1bio n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bio n ASP 61 N 0.00 3.82 -3.51 0.00 2.03 -1.26 -5.04 116.55 112.58 1bio n ASP 61 Ca 0.00 -3.29 -0.09 0.00 0.52 0.00 0.00 54.79 51.93 1bio n ASP 61 Cb 0.00 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 40.00 1bio n ASP 61 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1bio s GLY 62 N -3.59 -0.48 -0.23 0.27 0.00 -1.26 -5.07 107.32 96.96 1bio s GLY 62 Ca 0.44 0.75 -0.24 0.00 0.00 0.00 0.00 44.72 45.67 1bio s GLY 62 CO 0.01 0.25 0.80 1.25 0.00 0.00 0.00 173.10 175.40 1bio s LYS 63 N -3.33 4.20 -0.22 2.90 2.20 -1.26 -4.90 119.74 119.31 1bio s LYS 63 Ca 0.05 0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 56.43 1bio s LYS 63 Cb -0.01 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1bio s LYS 63 CO -0.09 -0.46 0.23 0.08 -0.36 0.00 0.00 175.35 174.75 1bio s VAL 64 N 2.64 5.32 0.20 4.02 1.01 -1.26 -0.96 120.40 131.37 1bio s VAL 64 Ca 0.34 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1bio s VAL 64 Cb -0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1bio s VAL 64 CO 0.08 0.33 0.05 -1.10 0.00 0.00 0.00 175.10 174.46 1bio s GLN 65 N 1.04 1.20 -0.11 2.72 -0.21 -0.44 -3.60 119.66 120.26 1bio s GLN 65 Ca 0.11 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 53.89 1bio s GLN 65 Cb -0.14 -0.18 0.02 0.00 1.00 0.00 0.00 33.01 33.72 1bio s GLN 65 CO 0.05 -0.21 -0.09 0.08 -2.12 0.00 0.00 175.29 172.99 1bio s VAL 66 N -3.76 1.11 -0.27 1.09 1.01 0.20 -0.37 120.40 119.41 1bio s VAL 66 Ca 0.29 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1bio s VAL 66 Cb 0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1bio s VAL 66 CO 0.07 0.38 0.38 -0.22 0.00 0.00 0.00 175.10 175.71 1bio s LEU 67 N 1.48 4.04 0.31 3.92 2.96 0.32 -0.46 118.68 131.25 1bio s LEU 67 Ca 0.01 0.30 0.09 0.00 -0.22 0.00 0.00 54.13 54.31 1bio s LEU 67 Cb -0.13 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 1bio s LEU 67 CO -0.06 -0.19 0.05 -0.76 -1.32 0.00 0.00 176.35 174.07 1bio s LEU 68 N 2.09 3.17 -1.65 -0.68 1.43 -0.20 -1.87 118.68 120.96 1bio s LEU 68 Ca 0.15 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1bio s LEU 68 Cb -0.16 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1bio s LEU 68 CO 0.10 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1bio n GLY 69 N -1.00 0.55 3.79 -3.19 0.00 -1.25 -1.77 105.19 102.32 1bio n GLY 69 Ca -0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1bio n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bio s ALA 70 N -2.78 3.61 0.05 4.61 0.00 -1.26 -3.23 121.76 122.77 1bio s ALA 70 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 1bio s ALA 70 Cb 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1bio s ALA 70 CO 0.00 0.72 -0.01 1.58 0.00 0.00 0.00 175.76 178.05 1bio n HIS 71 N 0.32 0.00 -3.44 0.00 -0.00 -1.26 -4.71 115.22 106.12 1bio n HIS 71 Ca -0.08 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.72 1bio n HIS 71 Cb 0.52 -0.03 -0.06 0.00 -0.12 0.00 0.00 29.99 30.30 1bio n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1bio s SER 72 N -5.69 6.67 0.32 0.26 0.15 -1.26 -1.72 113.70 112.42 1bio s SER 72 Ca -0.01 0.79 0.15 0.00 0.70 0.00 0.00 55.95 57.58 1bio s SER 72 Cb 0.00 -2.25 0.48 0.00 -1.71 0.00 0.00 66.02 62.54 1bio s SER 72 CO 0.02 0.14 1.64 -0.07 1.20 0.00 0.00 173.24 176.18 1bio h LEU 73 N 5.98 0.00 0.00 3.45 3.38 -1.32 -3.36 115.31 123.43 1bio h LEU 73 Ca -0.45 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1bio h LEU 73 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1bio h LEU 73 CO 0.70 0.49 -1.69 -1.54 0.09 0.00 0.00 178.44 176.50 1bio n SER 74 N -3.57 1.96 -4.84 -0.43 3.41 -1.26 -5.03 113.62 103.87 1bio n SER 74 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1bio n SER 74 Cb 0.59 1.33 -0.06 0.00 -0.26 0.00 0.00 64.21 65.81 1bio n SER 74 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1bio s GLN 75 N -2.71 4.06 0.36 4.33 -1.52 -1.26 -5.05 119.66 117.87 1bio s GLN 75 Ca -0.05 0.62 -0.27 0.00 -1.95 0.00 0.00 55.36 53.71 1bio s GLN 75 Cb 0.07 -2.84 -0.09 0.00 -0.22 0.00 0.00 33.01 29.93 1bio s GLN 75 CO 0.54 0.40 1.19 -1.25 -0.25 0.00 0.00 175.29 175.92 1bio s PRO 76 N -2.14 4.23 -0.07 2.91 0.04 -1.26 -4.80 135.00 133.91 1bio s PRO 76 Ca 0.42 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.33 1bio s PRO 76 Cb -0.15 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1bio s PRO 76 CO 0.20 -0.19 0.18 -1.21 0.04 0.00 0.00 177.00 176.02 1bio s GLU 77 N -2.02 0.20 0.25 4.56 2.02 -1.26 -5.06 118.70 117.39 1bio s GLU 77 Ca 0.53 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.77 1bio s GLU 77 Cb -0.33 0.06 0.43 0.00 0.10 0.00 0.00 34.13 34.39 1bio s GLU 77 CO 0.43 -0.05 1.82 -1.35 0.02 0.00 0.00 175.26 176.13 1bio h PRO 78 N 6.09 0.83 0.00 0.39 0.11 -1.96 -2.01 132.00 135.45 1bio h PRO 78 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1bio h PRO 78 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1bio h PRO 78 CO 0.40 0.55 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.60 1bio n SER 79 N -4.70 0.20 -4.73 -2.05 3.41 -1.26 -4.89 113.62 99.59 1bio n SER 79 Ca 0.15 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1bio n SER 79 Cb 0.29 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 1bio n SER 79 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bio s LYS 80 N -3.02 4.34 -0.15 4.33 1.02 -0.76 -4.23 119.74 121.26 1bio s LYS 80 Ca 0.13 2.11 -0.08 0.00 0.02 0.00 0.00 55.97 58.15 1bio s LYS 80 Cb 0.17 -3.20 0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1bio s LYS 80 CO 0.55 -0.36 0.36 0.50 -0.92 0.00 0.00 175.35 175.49 1bio s ARG 81 N 0.34 0.34 -0.37 1.68 3.52 -0.73 -4.93 118.95 118.81 1bio s ARG 81 Ca 0.60 0.71 -0.15 0.00 -0.13 0.00 0.00 55.73 56.77 1bio s ARG 81 Cb -0.38 -0.05 -0.00 0.00 -1.56 0.00 0.00 34.95 32.96 1bio s ARG 81 CO 0.36 -0.16 0.34 -1.17 -0.81 0.00 0.00 175.30 173.86 1bio s LEU 82 N 1.34 4.63 -0.06 -0.88 2.96 -1.26 -1.04 118.68 124.37 1bio s LEU 82 Ca -0.09 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 1bio s LEU 82 Cb -0.09 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1bio s LEU 82 CO -0.11 -0.38 0.19 -0.31 -1.32 0.00 0.00 176.35 174.42 1bio s TYR 83 N 1.93 3.59 0.66 5.38 1.51 0.40 -4.92 117.35 125.89 1bio s TYR 83 Ca 0.10 0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 56.60 1bio s TYR 83 Cb -0.17 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1bio s TYR 83 CO 0.12 0.69 1.02 -0.51 -1.11 0.00 0.00 175.55 175.75 1bio s ASP 84 N -1.37 5.53 -0.18 2.29 1.01 -1.26 -0.62 116.67 122.06 1bio s ASP 84 Ca 0.21 0.98 -0.02 0.00 0.71 0.00 0.00 52.55 54.43 1bio s ASP 84 Cb -0.13 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 41.93 1bio s ASP 84 CO 0.10 -1.22 -0.10 -0.69 0.21 0.00 0.00 175.17 173.47 1bio s VAL 85 N -3.21 3.03 0.04 -1.27 1.01 -1.24 -1.29 120.40 117.47 1bio s VAL 85 Ca 0.56 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1bio s VAL 85 Cb -0.11 -2.32 -0.21 0.00 0.00 0.00 0.00 36.38 33.74 1bio s VAL 85 CO 0.49 0.48 1.16 0.25 0.00 0.00 0.00 175.10 177.49 1bio h LEU 86 N 7.51 0.66 -7.28 3.92 5.85 -0.80 -3.46 115.31 121.72 1bio h LEU 86 Ca -0.36 -0.72 -0.11 0.00 0.84 0.00 0.00 57.88 57.53 1bio h LEU 86 Cb 1.18 -0.20 -0.24 0.00 0.37 0.00 0.00 40.66 41.77 1bio h LEU 86 CO 0.59 1.29 -0.21 -0.60 -0.34 0.00 0.00 178.44 179.17 1bio s ARG 87 N -3.39 0.51 -0.18 1.25 3.52 -1.19 -5.01 118.95 114.45 1bio s ARG 87 Ca -0.12 0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 56.07 1bio s ARG 87 Cb 0.05 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 1bio s ARG 87 CO 0.85 -0.07 -0.05 0.00 -0.81 0.00 0.00 175.30 175.23 1bio s ALA 88 N 0.29 2.88 -0.50 6.12 0.00 -1.26 -1.05 121.76 128.23 1bio s ALA 88 Ca -0.00 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1bio s ALA 88 Cb -0.03 -1.59 0.13 0.00 0.00 0.00 0.00 23.12 21.63 1bio s ALA 88 CO -0.00 -0.07 0.26 0.08 0.00 0.00 0.00 175.76 176.03 1bio s VAL 89 N 0.86 2.35 0.46 0.00 1.01 0.99 -4.98 120.40 121.09 1bio s VAL 89 Ca -0.01 -3.17 -0.22 0.00 0.00 0.00 0.00 61.98 58.58 1bio s VAL 89 Cb -0.15 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 1bio s VAL 89 CO 0.01 -0.82 1.06 -2.16 0.00 0.00 0.00 175.10 173.19 1bio s PRO 90 N -0.17 3.88 0.22 2.72 0.04 -1.26 -1.47 135.00 138.95 1bio s PRO 90 Ca 0.17 1.45 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 1bio s PRO 90 Cb -0.26 -2.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.91 1bio s PRO 90 CO 0.00 -0.38 1.63 1.58 0.04 0.00 0.00 177.00 179.87 1bio n HIS 91 N -0.68 2.59 0.11 0.56 -0.00 -0.41 -4.86 115.22 112.53 1bio n HIS 91 Ca 0.08 0.18 0.20 0.00 0.46 0.00 0.00 57.72 58.63 1bio n HIS 91 Cb 0.51 -2.61 0.76 0.00 -0.12 0.00 0.00 29.99 28.53 1bio n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1bio h PRO 92 N 5.93 0.00 -0.19 1.57 0.11 -1.92 -1.82 132.00 135.68 1bio h PRO 92 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bio h PRO 92 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bio h PRO 92 CO 0.89 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.43 1bio n ASP 93 N -3.77 2.83 -4.78 -2.05 8.00 -1.26 -4.95 116.55 110.57 1bio n ASP 93 Ca 0.06 -1.90 -0.36 0.00 0.71 0.00 0.00 54.79 53.30 1bio n ASP 93 Cb 0.56 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1bio n ASP 93 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bio s SER 94 N -1.74 6.08 0.01 -2.24 1.04 -0.69 -4.84 113.70 111.33 1bio s SER 94 Ca 0.34 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1bio s SER 94 Cb 0.21 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1bio s SER 94 CO 0.31 -0.97 -0.02 -1.10 0.98 0.00 0.00 173.24 172.44 1bio s GLN 95 N -2.97 0.15 0.41 4.02 -0.21 -1.26 -5.03 119.66 114.78 1bio s GLN 95 Ca 0.67 -0.25 0.19 0.00 0.02 0.00 0.00 55.36 55.99 1bio s GLN 95 Cb -0.24 -0.00 1.12 0.00 1.00 0.00 0.00 33.01 34.89 1bio s GLN 95 CO 0.29 -0.01 1.80 -1.35 -2.12 0.00 0.00 175.29 173.90 1bio h PRO 96 N 5.57 0.37 -0.63 2.91 0.11 -1.98 -2.45 132.00 135.90 1bio h PRO 96 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1bio h PRO 96 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1bio h PRO 96 CO 0.47 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 1bio n ASP 97 N -4.56 4.42 -4.40 -2.05 8.00 -1.26 -4.96 116.55 111.73 1bio n ASP 97 Ca 0.23 -2.34 -0.20 0.00 0.71 0.00 0.00 54.79 53.19 1bio n ASP 97 Cb 0.84 -0.53 -0.10 0.00 -0.02 0.00 0.00 41.12 41.30 1bio n ASP 97 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bio s THR 98 N -1.63 1.55 -1.52 -3.53 -4.23 -0.92 -5.03 115.64 100.32 1bio s THR 98 Ca 0.48 -2.12 0.18 0.00 -1.18 0.00 0.00 61.69 59.05 1bio s THR 98 Cb 0.30 -2.40 0.51 0.00 1.34 0.00 0.00 72.50 72.25 1bio s THR 98 CO 0.25 -0.33 1.43 2.30 -0.54 0.00 0.00 174.62 177.73 1bio n ILE 99 N -0.54 1.03 -3.34 2.99 -5.35 -1.26 -4.70 119.36 108.19 1bio n ILE 99 Ca -0.06 -1.01 -0.34 0.00 -0.27 0.00 0.00 62.75 61.07 1bio n ILE 99 Cb 0.63 0.48 -0.06 0.00 -1.74 0.00 0.00 39.64 38.96 1bio n ILE 99 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1bio s ASP 100 N -1.01 6.77 -1.57 7.28 1.01 -1.26 -4.19 116.67 123.70 1bio s ASP 100 Ca 0.39 1.07 -0.15 0.00 0.71 0.00 0.00 52.55 54.56 1bio s ASP 100 Cb 0.20 -2.28 0.11 0.00 1.01 0.00 0.00 42.92 41.96 1bio s ASP 100 CO 0.26 0.01 0.90 1.41 0.21 0.00 0.00 175.17 177.96 1bio n HIS 101 N 0.36 -2.12 -1.47 4.23 8.25 -1.26 -4.41 115.22 118.79 1bio n HIS 101 Ca -0.02 0.85 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 1bio n HIS 101 Cb 0.52 -3.63 -0.02 0.00 1.12 0.00 0.00 29.99 27.97 1bio n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1bio n ASP 102 N -2.75 8.58 -4.34 0.41 2.03 -1.26 -4.20 116.55 115.02 1bio n ASP 102 Ca 0.05 -2.71 -0.24 0.00 0.52 0.00 0.00 54.79 52.41 1bio n ASP 102 Cb 0.52 -1.51 -0.12 0.00 -0.72 0.00 0.00 41.12 39.29 1bio n ASP 102 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1bio s LEU 103 N -0.40 2.38 -0.10 -2.67 1.43 -1.26 -3.08 118.68 114.98 1bio s LEU 103 Ca 0.66 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1bio s LEU 103 Cb 0.18 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.48 1bio s LEU 103 CO -0.07 0.05 0.26 -0.22 0.23 0.00 0.00 176.35 176.61 1bio s LEU 104 N -2.35 0.66 -0.11 1.79 2.96 -0.39 -1.29 118.68 119.94 1bio s LEU 104 Ca 0.14 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1bio s LEU 104 Cb -0.08 0.84 -0.01 0.00 0.50 0.00 0.00 46.19 47.43 1bio s LEU 104 CO 0.06 -0.13 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.04 1bio s LEU 105 N 0.76 2.57 -0.21 -0.68 1.43 -0.54 -0.60 118.68 121.40 1bio s LEU 105 Ca -0.05 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1bio s LEU 105 Cb -0.06 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1bio s LEU 105 CO -0.05 0.18 -0.06 -0.76 0.23 0.00 0.00 176.35 175.89 1bio s LEU 106 N 0.24 2.82 -0.27 1.79 1.43 0.36 -0.01 118.68 125.04 1bio s LEU 106 Ca -0.10 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1bio s LEU 106 Cb -0.16 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1bio s LEU 106 CO 0.06 -0.01 0.49 -1.58 0.23 0.00 0.00 176.35 175.54 1bio s GLN 107 N 1.39 4.01 0.68 1.70 0.74 -0.21 -1.36 119.66 126.60 1bio s GLN 107 Ca 0.05 0.21 -0.14 0.00 0.05 0.00 0.00 55.36 55.54 1bio s GLN 107 Cb -0.14 -3.67 0.01 0.00 1.10 0.00 0.00 33.01 30.31 1bio s GLN 107 CO -0.04 -0.37 1.09 -0.51 -0.55 0.00 0.00 175.29 174.91 1bio s LEU 108 N 2.28 3.29 0.57 3.68 1.43 -0.04 -0.21 118.68 129.68 1bio s LEU 108 Ca 0.20 1.89 0.27 0.00 -1.03 0.00 0.00 54.13 55.45 1bio s LEU 108 Cb -0.16 -4.54 1.59 0.00 0.03 0.00 0.00 46.19 43.12 1bio s LEU 108 CO 0.10 -1.64 2.12 0.28 0.23 0.00 0.00 176.35 177.44 1bio h SER 109 N -0.26 0.00 -5.04 2.29 0.02 -1.52 -3.39 113.55 105.65 1bio h SER 109 Ca -0.46 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1bio h SER 109 Cb 1.23 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 1bio h SER 109 CO 0.54 0.00 0.16 -1.83 -1.14 0.00 0.00 176.83 174.57 1bio s GLU 110 N -4.75 1.64 0.30 3.45 -1.05 -1.26 -4.95 118.70 112.09 1bio s GLU 110 Ca -0.05 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.54 1bio s GLU 110 Cb 0.16 0.58 -0.11 0.00 -0.44 0.00 0.00 34.13 34.32 1bio s GLU 110 CO 0.59 -0.74 1.53 0.15 0.95 0.00 0.00 175.26 177.74 1bio s LYS 111 N -3.90 4.16 0.42 -4.83 1.02 -1.26 -4.75 119.74 110.60 1bio s LYS 111 Ca 0.11 2.51 -0.25 0.00 0.02 0.00 0.00 55.97 58.36 1bio s LYS 111 Cb -0.04 -3.03 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 1bio s LYS 111 CO 0.03 -0.55 1.20 0.00 -0.92 0.00 0.00 175.35 175.11 1bio s ALA 112 N -0.27 3.11 -0.25 5.17 0.00 -0.03 -4.95 121.76 124.54 1bio s ALA 112 Ca 0.60 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.29 1bio s ALA 112 Cb -0.46 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1bio s ALA 112 CO 0.50 -0.65 1.43 0.99 0.00 0.00 0.00 175.76 178.03 1bio s THR 113 N -1.41 3.96 0.42 0.00 2.01 -1.26 -4.97 115.64 114.38 1bio s THR 113 Ca 0.59 1.09 -0.13 0.00 0.31 0.00 0.00 61.69 63.56 1bio s THR 113 Cb -0.32 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 1bio s THR 113 CO 0.40 -0.37 0.82 -0.76 -0.69 0.00 0.00 174.62 174.02 1bio s LEU 114 N 4.64 3.81 0.00 4.42 1.43 -1.26 -4.80 118.68 126.92 1bio s LEU 114 Ca 0.62 1.27 -0.07 0.00 -1.03 0.00 0.00 54.13 54.92 1bio s LEU 114 Cb -0.21 -4.16 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1bio s LEU 114 CO 0.25 -0.42 0.33 0.61 0.23 0.00 0.00 176.35 177.35 1bio n GLY 115 N -1.23 0.61 0.28 -3.19 0.00 -0.13 -4.93 105.19 96.60 1bio n GLY 115 Ca 0.04 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.26 1bio n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bio h PRO 118 N 0.00 0.00 -0.02 1.61 0.11 -1.97 -2.29 132.00 129.44 1bio h PRO 118 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1bio h PRO 118 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1bio h PRO 118 CO 0.08 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 177.56 1bio n ALA 119 N -2.55 3.20 -3.55 -0.75 0.00 -1.26 -4.66 120.51 110.93 1bio n ALA 119 Ca -0.01 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 1bio n ALA 119 Cb 0.18 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.59 1bio n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bio s VAL 120 N -2.36 -0.26 -0.28 0.00 1.01 -0.86 -3.96 120.40 113.69 1bio s VAL 120 Ca 0.23 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1bio s VAL 120 Cb 0.19 -0.58 0.09 0.00 0.00 0.00 0.00 36.38 36.08 1bio s VAL 120 CO 0.50 -0.15 0.79 -0.60 0.00 0.00 0.00 175.10 175.63 1bio s ARG 121 N 2.28 0.68 0.62 2.72 6.06 -0.92 -0.96 118.95 129.42 1bio s ARG 121 Ca 0.05 0.98 -0.18 0.00 -2.50 0.00 0.00 55.73 54.08 1bio s ARG 121 Cb -0.15 0.24 -0.02 0.00 0.06 0.00 0.00 34.95 35.08 1bio s ARG 121 CO -0.10 -0.11 1.21 -2.14 -2.50 0.00 0.00 175.30 171.66 1bio s PRO 122 N 0.97 2.79 -0.16 5.12 0.02 -1.26 -2.82 135.00 139.64 1bio s PRO 122 Ca -0.05 1.82 -0.08 0.00 0.02 0.00 0.00 61.00 62.71 1bio s PRO 122 Cb -0.05 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1bio s PRO 122 CO -0.10 -1.35 0.13 -1.17 -0.33 0.00 0.00 177.00 174.17 1bio s LEU 123 N -4.31 4.24 0.36 -5.54 2.96 -0.13 -4.91 118.68 111.36 1bio s LEU 123 Ca 0.77 0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 54.71 1bio s LEU 123 Cb -0.30 -2.07 -0.11 0.00 0.50 0.00 0.00 46.19 44.21 1bio s LEU 123 CO 0.36 0.28 1.47 -2.84 -1.32 0.00 0.00 176.35 174.30 1bio s PRO 124 N -0.23 4.14 0.18 0.98 0.02 -1.26 -4.68 135.00 134.15 1bio s PRO 124 Ca 0.11 2.52 0.11 0.00 0.02 0.00 0.00 61.00 63.76 1bio s PRO 124 Cb -0.11 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 1bio s PRO 124 CO 0.01 -0.49 -0.23 1.67 -0.33 0.00 0.00 177.00 177.62 1bio s TRP 124 N -1.01 2.19 -0.04 6.54 1.48 -1.26 -1.01 118.94 125.83 1bio s TRP 124 Ca 0.53 -0.38 -0.30 0.00 -1.06 0.00 0.00 56.10 54.89 1bio s TRP 124 Cb -0.46 -1.10 -0.05 0.00 -1.16 0.00 0.00 33.47 30.70 1bio s TRP 124 CO 0.60 0.44 1.49 -1.14 -4.06 0.00 0.00 176.95 174.28 1bio s GLN 125 N -2.59 4.23 -0.01 3.25 2.00 -0.22 -4.84 119.66 121.48 1bio s GLN 125 Ca 0.18 2.03 0.11 0.00 -2.00 0.00 0.00 55.36 55.68 1bio s GLN 125 Cb -0.08 -3.75 -0.14 0.00 0.80 0.00 0.00 33.01 29.84 1bio s GLN 125 CO 0.09 -0.71 0.36 0.54 -0.50 0.00 0.00 175.29 175.07 1bio n ARG 126 N 6.21 2.22 -3.22 1.67 1.74 -1.26 -2.96 116.66 121.06 1bio n ARG 126 Ca 0.15 -0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.79 1bio n ARG 126 Cb 0.43 -1.10 -0.07 0.00 -1.02 0.00 0.00 32.46 30.69 1bio n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bio s VAL 127 N -2.31 5.05 -1.23 1.55 1.01 -1.26 -4.91 120.40 118.30 1bio s VAL 127 Ca 0.01 0.86 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 1bio s VAL 127 Cb 0.08 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1bio s VAL 127 CO 0.44 0.05 1.73 -0.62 0.00 0.00 0.00 175.10 176.70 1bio s ASP 128 N 1.56 6.45 -0.07 3.32 -1.08 -1.26 -4.87 116.67 120.73 1bio s ASP 128 Ca 0.22 -2.12 -0.04 0.00 -0.52 0.00 0.00 52.55 50.08 1bio s ASP 128 Cb -0.16 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.76 1bio s ASP 128 CO 0.10 -1.57 0.16 -0.13 0.52 0.00 0.00 175.17 174.24 1bio s ARG 129 N 4.78 0.14 0.52 4.34 0.52 -1.26 -5.06 118.95 122.92 1bio s ARG 129 Ca 0.56 0.32 -0.23 0.00 -0.52 0.00 0.00 55.73 55.86 1bio s ARG 129 Cb 0.02 -0.07 -0.06 0.00 0.52 0.00 0.00 34.95 35.36 1bio s ARG 129 CO 0.06 -0.11 1.38 -0.25 0.02 0.00 0.00 175.30 176.40 1bio n ASP 129 N 3.74 2.87 -4.74 0.23 8.00 -1.26 -4.97 116.55 120.42 1bio n ASP 129 Ca -0.21 1.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.90 1bio n ASP 129 Cb 0.55 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.03 1bio n ASP 129 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1bio s VAL 130 N -1.26 3.82 0.34 2.53 1.01 -1.26 -4.97 120.40 120.60 1bio s VAL 130 Ca 0.68 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.91 1bio s VAL 130 Cb -0.43 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 31.87 1bio s VAL 130 CO 0.52 0.25 1.46 0.00 0.00 0.00 0.00 175.10 177.32 1bio s ALA 131 N -0.08 3.59 0.51 5.51 0.00 -1.26 -4.94 121.76 125.09 1bio s ALA 131 Ca 0.51 1.47 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 1bio s ALA 131 Cb -0.30 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.17 1bio s ALA 131 CO 0.35 -0.91 1.19 -2.30 0.00 0.00 0.00 175.76 174.09 1bio n PRO 132 N 1.07 1.53 0.00 0.00 -0.02 -1.26 -2.20 135.00 134.11 1bio n PRO 132 Ca 0.03 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1bio n PRO 132 Cb 0.40 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1bio n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bio n GLY 133 N 0.95 3.00 3.71 -1.23 0.00 0.94 -4.90 105.19 107.66 1bio n GLY 133 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1bio n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bio n THR 134 N -2.00 0.04 -2.80 2.61 -1.04 -0.94 -4.41 114.28 105.74 1bio n THR 134 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1bio n THR 134 Cb 0.00 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.52 1bio n THR 134 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1bio s LEU 135 N 1.32 4.09 0.24 -4.42 1.43 -1.26 -0.74 118.68 119.34 1bio s LEU 135 Ca 0.76 1.18 0.12 0.00 -1.03 0.00 0.00 54.13 55.16 1bio s LEU 135 Cb -0.52 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1bio s LEU 135 CO 0.33 -0.57 -0.22 0.00 0.23 0.00 0.00 176.35 176.13 1bio s ASP 137 N -3.11 4.57 -0.05 0.00 2.15 0.13 -0.42 116.67 119.94 1bio s ASP 137 Ca 0.25 -0.15 0.04 0.00 0.43 0.00 0.00 52.55 53.12 1bio s ASP 137 Cb -0.06 -1.60 -0.00 0.00 -0.30 0.00 0.00 42.92 40.95 1bio s ASP 137 CO 0.12 0.21 -0.17 0.54 -0.17 0.00 0.00 175.17 175.70 1bio s VAL 138 N 0.09 1.45 0.18 1.11 0.11 -0.83 -0.62 120.40 121.89 1bio s VAL 138 Ca -0.02 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.37 1bio s VAL 138 Cb -0.14 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1bio s VAL 138 CO 0.03 0.42 -0.14 0.00 -3.33 0.00 0.00 175.10 172.08 1bio s ALA 139 N 0.09 1.82 0.00 1.54 0.00 -1.25 -0.92 121.76 123.03 1bio s ALA 139 Ca -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1bio s ALA 139 Cb -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1bio s ALA 139 CO 0.03 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1bio n GLY 140 N -0.18 0.41 1.08 0.00 0.00 -0.19 -4.61 105.19 101.71 1bio n GLY 140 Ca -0.10 -0.94 0.04 0.00 0.00 0.00 0.00 46.02 45.02 1bio n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bio n TRP 141 N -0.27 1.15 -1.39 1.61 8.01 -1.26 -1.71 117.44 123.58 1bio n TRP 141 Ca 0.00 -1.08 -0.30 0.00 -1.31 0.00 0.00 57.50 54.81 1bio n TRP 141 Cb 0.00 -0.40 0.21 0.00 -2.01 0.00 0.00 31.31 29.11 1bio n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bio s GLY 142 N -1.98 1.64 0.61 6.99 0.00 -1.25 -4.40 107.32 108.93 1bio s GLY 142 Ca 0.44 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1bio s GLY 142 CO 0.07 -0.15 1.14 0.29 0.00 0.00 0.00 173.10 174.46 1bio n ILE 143 N -4.33 4.19 0.35 0.90 -5.35 0.37 -2.97 119.36 112.52 1bio n ILE 143 Ca 0.13 -0.50 0.04 0.00 -0.27 0.00 0.00 62.75 62.15 1bio n ILE 143 Cb 0.59 -1.35 0.04 0.00 -1.74 0.00 0.00 39.64 37.18 1bio n ILE 143 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1bio n VAL 144 N -1.69 0.01 -3.86 7.28 0.24 -0.10 -1.15 118.33 119.06 1bio n VAL 144 Ca 0.14 -0.51 -0.09 0.00 -2.04 0.00 0.00 64.34 61.85 1bio n VAL 144 Cb 0.47 1.17 -0.00 0.00 -1.47 0.00 0.00 33.84 34.01 1bio n VAL 144 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1bio s ASN 145 N -0.72 -0.02 0.55 -1.34 2.20 -1.26 -4.65 114.94 109.69 1bio s ASN 145 Ca 0.10 -0.98 0.33 0.00 -0.94 0.00 0.00 52.86 51.37 1bio s ASN 145 Cb 0.07 0.78 1.48 0.00 -2.00 0.00 0.00 41.25 41.58 1bio s ASN 145 CO 0.11 -1.51 2.04 0.45 -2.94 0.00 0.00 177.10 175.25 1bio h HIS 146 N 2.03 0.00 0.00 1.54 3.86 -1.97 -2.08 115.15 118.53 1bio h HIS 146 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1bio h HIS 146 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1bio h HIS 146 CO 1.00 0.06 0.00 0.00 0.86 0.00 0.00 177.93 179.86 1bio h ALA 147 N 1.94 1.00 0.00 2.45 0.00 -2.02 -3.47 119.26 119.16 1bio h ALA 147 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bio h ALA 147 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bio h ALA 147 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1bio n GLY 149 N 0.49 0.93 3.69 0.00 0.00 -0.78 -5.05 105.19 104.47 1bio n GLY 149 Ca 0.02 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1bio n GLY 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bio n ARG 150 N -2.12 2.77 -3.58 1.61 0.00 -1.26 -4.80 116.66 109.27 1bio n ARG 150 Ca 0.00 1.01 -0.37 0.00 -0.00 0.00 0.00 57.85 58.48 1bio n ARG 150 Cb 0.00 -2.91 -0.09 0.00 0.00 0.00 0.00 32.46 29.46 1bio n ARG 150 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1bio s ARG 151 N 2.96 4.06 0.44 -0.14 1.81 -1.26 -0.92 118.95 125.89 1bio s ARG 151 Ca 0.83 -0.18 -0.22 0.00 -1.72 0.00 0.00 55.73 54.44 1bio s ARG 151 Cb -0.49 -3.57 -0.10 0.00 -0.45 0.00 0.00 34.95 30.34 1bio s ARG 151 CO 0.38 -0.03 1.00 -1.25 -0.68 0.00 0.00 175.30 174.73 1bio s PRO 152 N 1.32 4.06 0.13 3.54 0.04 -1.26 -4.97 135.00 137.86 1bio s PRO 152 Ca 0.10 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.51 1bio s PRO 152 Cb -0.14 -2.25 -0.16 0.00 0.04 0.00 0.00 34.50 31.99 1bio s PRO 152 CO 0.07 -0.20 1.30 0.22 0.04 0.00 0.00 177.00 178.44 1bio h ASP 153 N 1.95 0.03 -2.13 6.66 3.58 -1.95 -3.47 116.42 121.09 1bio h ASP 153 Ca -0.49 -0.03 -0.59 0.00 0.42 0.00 0.00 57.03 56.34 1bio h ASP 153 Cb 1.20 -0.01 -0.12 0.00 1.72 0.00 0.00 39.33 42.12 1bio h ASP 153 CO 0.61 0.99 -0.69 -0.94 -2.88 0.00 0.00 179.24 176.32 1bio s SER 154 N -6.75 3.99 0.17 2.28 1.04 -1.26 -0.80 113.70 112.38 1bio s SER 154 Ca 0.00 -0.93 -0.33 0.00 0.48 0.00 0.00 55.95 55.18 1bio s SER 154 Cb 0.10 -0.51 -0.12 0.00 0.10 0.00 0.00 66.02 65.59 1bio s SER 154 CO 0.82 -0.05 1.69 -0.11 0.98 0.00 0.00 173.24 176.58 1bio n LEU 155 N -0.78 3.69 -4.67 2.42 7.94 -0.70 -4.83 117.00 120.06 1bio n LEU 155 Ca -0.05 1.06 -0.24 0.00 -1.11 0.00 0.00 56.01 55.67 1bio n LEU 155 Cb 0.60 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.96 1bio n LEU 155 CO 0.40 0.02 -0.27 -1.10 -1.11 0.00 0.00 177.39 175.33 1bio s GLN 156 N 1.34 2.23 0.20 1.96 -1.52 -0.70 -0.36 119.66 122.82 1bio s GLN 156 Ca 0.78 -1.61 -0.19 0.00 -1.95 0.00 0.00 55.36 52.39 1bio s GLN 156 Cb -0.57 -2.07 0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1bio s GLN 156 CO 0.35 0.17 0.55 -3.38 -0.25 0.00 0.00 175.29 172.74 1bio s HIS 157 N -2.44 -0.20 -0.15 0.91 -3.43 -0.19 -1.02 115.29 108.77 1bio s HIS 157 Ca 0.35 -0.13 -0.19 0.00 -0.80 0.00 0.00 55.06 54.29 1bio s HIS 157 Cb -0.02 0.45 0.05 0.00 -1.43 0.00 0.00 32.58 31.63 1bio s HIS 157 CO 0.21 -0.93 0.51 0.54 -2.00 0.00 0.00 174.74 173.06 1bio s VAL 158 N -3.86 0.01 -0.16 -5.38 0.11 -0.10 -1.47 120.40 109.55 1bio s VAL 158 Ca 0.08 -0.07 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 1bio s VAL 158 Cb -0.01 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1bio s VAL 158 CO -0.04 -0.04 0.38 -0.76 -3.33 0.00 0.00 175.10 171.32 1bio s LEU 159 N -0.14 4.23 -0.02 2.54 1.43 -1.26 -1.96 118.68 123.51 1bio s LEU 159 Ca -0.03 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1bio s LEU 159 Cb -0.03 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 1bio s LEU 159 CO 0.02 0.02 -0.13 -0.76 0.23 0.00 0.00 176.35 175.74 1bio s LEU 160 N 0.74 1.97 0.16 1.79 1.43 0.44 -4.94 118.68 120.27 1bio s LEU 160 Ca 0.20 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 1bio s LEU 160 Cb -0.14 -0.68 -0.08 0.00 0.03 0.00 0.00 46.19 45.32 1bio s LEU 160 CO 0.07 0.14 0.75 -2.16 0.23 0.00 0.00 176.35 175.38 1bio s PRO 161 N -0.17 4.50 0.36 1.29 0.04 -1.26 -0.57 135.00 139.19 1bio s PRO 161 Ca 0.02 1.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 1bio s PRO 161 Cb -0.06 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 1bio s PRO 161 CO -0.00 0.57 1.35 0.08 0.04 0.00 0.00 177.00 179.04 1bio s VAL 162 N -1.17 2.53 -0.14 -0.36 1.01 0.08 -1.11 120.40 121.24 1bio s VAL 162 Ca 0.35 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 1bio s VAL 162 Cb -0.22 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1bio s VAL 162 CO 0.25 0.12 -0.04 -0.22 0.00 0.00 0.00 175.10 175.21 1bio s LEU 163 N -2.00 3.26 0.50 3.92 2.96 -0.11 -0.04 118.68 127.18 1bio s LEU 163 Ca 0.51 -0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 54.11 1bio s LEU 163 Cb -0.41 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.44 1bio s LEU 163 CO 0.55 0.21 1.19 -0.90 -1.32 0.00 0.00 176.35 176.08 1bio n ASP 164 N 3.23 1.98 -0.13 3.68 5.75 -1.26 -4.21 116.55 125.59 1bio n ASP 164 Ca -0.18 0.99 -0.02 0.00 -0.01 0.00 0.00 54.79 55.58 1bio n ASP 164 Cb 0.53 -1.47 0.22 0.00 -1.03 0.00 0.00 41.12 39.37 1bio n ASP 164 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1bio h ARG 165 N 1.45 0.82 -0.18 0.11 2.43 -1.96 -2.46 114.38 114.58 1bio h ARG 165 Ca -0.48 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1bio h ARG 165 Cb 1.32 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1bio h ARG 165 CO 0.56 0.69 0.11 0.00 -1.51 0.00 0.00 179.97 179.83 1bio h ALA 166 N 1.42 0.23 -0.72 2.80 0.00 -1.96 -0.62 119.26 120.40 1bio h ALA 166 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1bio h ALA 166 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1bio h ALA 166 CO -0.01 -0.26 0.32 1.15 0.00 0.00 0.00 179.25 180.44 1bio h THR 167 N 0.22 1.24 0.00 0.00 2.02 -1.91 -2.17 112.91 112.32 1bio h THR 167 Ca 0.07 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1bio h THR 167 Cb 0.02 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1bio h THR 167 CO -0.01 0.30 -0.08 0.00 0.37 0.00 0.00 175.52 176.09 1bio n ASN 169 N -3.72 5.27 -0.02 0.00 3.02 -0.28 -1.07 115.26 118.45 1bio n ASN 169 Ca -0.02 -3.00 -0.19 0.00 -0.03 0.00 0.00 54.58 51.34 1bio n ASN 169 Cb 0.19 -1.54 -0.14 0.00 -0.61 0.00 0.00 39.78 37.68 1bio n ASN 169 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1bio n ARG 170 N 5.07 0.72 0.16 3.52 0.63 -1.26 -0.25 116.66 125.26 1bio n ARG 170 Ca 0.36 0.24 0.13 0.00 -0.92 0.00 0.00 57.85 57.65 1bio n ARG 170 Cb 0.41 -1.68 0.54 0.00 0.45 0.00 0.00 32.46 32.18 1bio n ARG 170 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1bio h THR 170 N 0.05 0.00 0.00 5.15 1.35 -1.94 -3.39 112.91 114.14 1bio h THR 170 Ca -0.43 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1bio h THR 170 Cb 2.02 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1bio h THR 170 CO 0.06 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.74 1bio n HIS 171 N -2.39 0.00 0.19 4.73 8.25 -1.26 -4.77 115.22 119.97 1bio n HIS 171 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.57 1bio n HIS 171 Cb 0.23 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.51 1bio n HIS 171 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1bio n HIS 172 N 0.00 0.41 -3.83 4.41 8.25 -0.23 -4.86 115.22 119.37 1bio n HIS 172 Ca 0.00 -0.27 -0.36 0.00 -0.26 0.00 0.00 57.72 56.83 1bio n HIS 172 Cb 0.00 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.13 1bio n HIS 172 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1bio n ASP 173 N 1.10 -4.90 0.00 0.41 2.03 -1.07 -1.92 116.55 112.20 1bio n ASP 173 Ca 0.15 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1bio n ASP 173 Cb 0.50 -2.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.39 1bio n ASP 173 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bio n GLY 174 N -1.85 0.82 0.22 0.27 0.00 0.66 -4.90 105.19 100.42 1bio n GLY 174 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1bio n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bio h ALA 175 N 0.00 1.00 -1.50 4.61 0.00 -1.67 -3.42 119.26 118.27 1bio h ALA 175 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1bio h ALA 175 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1bio h ALA 175 CO 0.00 0.00 0.81 0.42 0.00 0.00 0.00 179.25 180.48 1bio s ILE 176 N -3.44 4.01 0.96 0.00 -1.09 -1.26 -5.02 121.20 115.36 1bio s ILE 176 Ca 0.04 0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.35 1bio s ILE 176 Cb 0.08 -4.81 0.19 0.00 -1.58 0.00 0.00 42.46 36.35 1bio s ILE 176 CO 0.56 -1.66 1.29 0.42 -1.23 0.00 0.00 174.94 174.31 1bio s THR 177 N 4.93 1.97 -0.91 2.92 -4.23 -1.26 -4.91 115.64 114.15 1bio s THR 177 Ca 0.29 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.96 1bio s THR 177 Cb -0.12 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 70.90 1bio s THR 177 CO 0.13 0.00 1.49 -0.62 -0.54 0.00 0.00 174.62 175.08 1bio n GLU 178 N -3.79 0.03 0.00 3.99 1.02 -1.26 -1.73 120.64 118.90 1bio n GLU 178 Ca 0.14 0.29 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 1bio n GLU 178 Cb 0.60 -1.56 0.33 0.00 -0.02 0.00 0.00 31.44 30.78 1bio n GLU 178 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bio n ARG 179 N -1.63 1.42 -4.45 3.49 1.74 -1.26 -4.91 116.66 111.07 1bio n ARG 179 Ca 0.03 -0.96 -0.25 0.00 -0.77 0.00 0.00 57.85 55.90 1bio n ARG 179 Cb 0.17 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 1bio n ARG 179 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bio s LEU 180 N -2.24 2.53 0.14 0.55 1.43 -0.71 -1.10 118.68 119.28 1bio s LEU 180 Ca 0.29 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1bio s LEU 180 Cb 0.20 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1bio s LEU 180 CO 0.43 0.08 0.06 0.00 0.23 0.00 0.00 176.35 177.14 1bio s MET 181 N -3.12 0.97 0.12 1.70 0.23 -0.18 -4.72 119.30 114.31 1bio s MET 181 Ca 0.26 -1.47 0.06 0.00 -1.03 0.00 0.00 55.69 53.51 1bio s MET 181 Cb -0.06 0.19 -0.04 0.00 -1.53 0.00 0.00 34.83 33.39 1bio s MET 181 CO 0.13 -0.26 -0.14 0.00 -2.03 0.00 0.00 175.02 172.71 1bio s ALA 183 N -2.12 1.15 0.79 0.00 0.00 -0.96 -0.93 121.76 119.70 1bio s ALA 183 Ca 0.09 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 1bio s ALA 183 Cb -0.05 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1bio s ALA 183 CO 0.03 0.05 1.18 -1.21 0.00 0.00 0.00 175.76 175.81 1bio s GLU 184 N -2.36 1.83 -0.24 0.00 2.02 -0.27 -1.72 118.70 117.96 1bio s GLU 184 Ca 0.03 1.64 0.21 0.00 0.02 0.00 0.00 54.97 56.87 1bio s GLU 184 Cb -0.06 -1.81 0.49 0.00 0.10 0.00 0.00 34.13 32.86 1bio s GLU 184 CO 0.01 -2.05 1.13 -1.13 0.02 0.00 0.00 175.26 173.24 1bio n SER 185 N -3.23 2.01 -4.47 -0.19 3.41 -1.26 -4.54 113.62 105.36 1bio n SER 185 Ca 0.13 -2.30 -0.43 0.00 -0.26 0.00 0.00 58.87 56.00 1bio n SER 185 Cb 0.51 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1bio n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bio s ASN 186 N -3.62 6.65 0.00 4.04 3.04 -1.26 -2.08 114.94 121.71 1bio s ASN 186 Ca 0.31 -2.04 0.00 0.00 0.04 0.00 0.00 52.86 51.17 1bio s ASN 186 Cb 0.34 -2.43 0.00 0.00 -1.54 0.00 0.00 41.25 37.62 1bio s ASN 186 CO -0.04 -1.11 0.00 0.54 -3.04 0.00 0.00 177.10 173.46 1bio n ARG 187 N 6.86 0.00 -3.97 0.43 1.74 -0.02 -4.91 116.66 116.78 1bio n ARG 187 Ca 0.27 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 57.00 1bio n ARG 187 Cb 0.49 -0.44 -0.11 0.00 -1.02 0.00 0.00 32.46 31.38 1bio n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1bio s ARG 188 N 0.00 3.87 0.04 5.56 0.52 -1.26 -3.57 118.95 124.11 1bio s ARG 188 Ca 0.00 -0.39 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 1bio s ARG 188 Cb 0.00 -3.23 0.09 0.00 0.52 0.00 0.00 34.95 32.33 1bio s ARG 188 CO 0.00 0.14 1.02 0.34 0.02 0.00 0.00 175.30 176.82 1bio s ASP 189 N 0.73 -0.21 0.45 0.23 2.15 -0.48 -4.12 116.67 115.43 1bio s ASP 189 Ca 0.03 -0.19 -0.05 0.00 0.43 0.00 0.00 52.55 52.77 1bio s ASP 189 Cb -0.13 0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 42.81 1bio s ASP 189 CO 0.02 -0.64 0.74 -0.94 -0.17 0.00 0.00 175.17 174.18 1bio s SER 190 N -2.73 6.29 0.04 -0.34 1.04 -1.26 -0.79 113.70 115.95 1bio s SER 190 Ca 0.10 0.87 -0.00 0.00 0.48 0.00 0.00 55.95 57.40 1bio s SER 190 Cb -0.00 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1bio s SER 190 CO -0.03 -0.51 0.05 0.00 0.98 0.00 0.00 173.24 173.73 1bio n LYS 192 N -0.06 1.78 0.00 0.00 4.81 -1.26 -0.49 118.16 122.94 1bio n LYS 192 Ca 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1bio n LYS 192 Cb 0.06 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 32.72 1bio n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bio n GLY 193 N 3.48 2.29 0.05 3.14 0.00 -1.26 -0.48 105.19 112.41 1bio n GLY 193 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1bio n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bio n ASP 194 N 0.00 0.55 -4.62 1.61 8.00 0.35 -3.46 116.55 118.99 1bio n ASP 194 Ca 0.00 -0.01 -0.45 0.00 0.71 0.00 0.00 54.79 55.05 1bio n ASP 194 Cb 0.00 0.97 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 1bio n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bio n SER 195 N -2.24 1.74 0.00 -2.24 7.64 -1.25 -1.38 113.62 115.89 1bio n SER 195 Ca -0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1bio n SER 195 Cb 0.50 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1bio n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bio n GLY 196 N 1.28 2.18 3.88 0.23 0.00 0.30 -1.03 105.19 112.04 1bio n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1bio n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bio s GLY 197 N -2.04 1.62 0.13 -0.02 0.00 -0.48 -3.30 107.32 103.23 1bio s GLY 197 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.81 1bio s GLY 197 CO 0.00 -0.16 0.62 2.56 0.00 0.00 0.00 173.10 176.11 1bio s PRO 198 N -5.56 4.19 -0.39 2.90 0.04 -1.26 -0.86 135.00 134.06 1bio s PRO 198 Ca 0.64 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 1bio s PRO 198 Cb -0.11 -3.10 0.06 0.00 0.04 0.00 0.00 34.50 31.40 1bio s PRO 198 CO 0.51 0.55 0.21 -1.17 0.04 0.00 0.00 177.00 177.13 1bio s LEU 199 N -1.49 4.87 -0.17 -3.56 2.96 0.15 -3.89 118.68 117.56 1bio s LEU 199 Ca 0.35 -1.33 -0.07 0.00 -0.22 0.00 0.00 54.13 52.86 1bio s LEU 199 Cb -0.18 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1bio s LEU 199 CO 0.20 -0.46 0.06 -0.69 -1.32 0.00 0.00 176.35 174.14 1bio s VAL 200 N 1.44 4.74 -0.08 1.68 1.01 0.21 -1.47 120.40 127.92 1bio s VAL 200 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1bio s VAL 200 Cb -0.21 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1bio s VAL 200 CO 0.03 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.53 1bio n GLY 202 N 4.40 -0.51 2.25 0.00 0.00 -1.26 -1.78 105.19 108.29 1bio n GLY 202 Ca -0.18 0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 1bio n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bio n GLY 207 N -1.30 0.56 3.14 -0.02 0.00 -1.26 -5.02 105.19 101.29 1bio n GLY 207 Ca -0.15 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1bio n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bio s VAL 208 N -1.92 1.31 -0.05 1.61 1.01 -0.73 -4.57 120.40 117.05 1bio s VAL 208 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1bio s VAL 208 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1bio s VAL 208 CO 0.00 0.37 1.51 -0.22 0.00 0.00 0.00 175.10 176.76 1bio s LEU 209 N -0.26 4.29 -0.09 3.92 2.96 -0.18 -1.42 118.68 127.91 1bio s LEU 209 Ca 0.04 2.11 0.05 0.00 -0.22 0.00 0.00 54.13 56.10 1bio s LEU 209 Cb -0.08 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 1bio s LEU 209 CO 0.00 -0.83 -0.02 -0.62 -1.32 0.00 0.00 176.35 173.56 1bio n GLU 210 N 6.45 1.72 -4.06 1.98 -0.58 -0.54 -1.06 120.64 124.55 1bio n GLU 210 Ca 0.15 0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.82 1bio n GLU 210 Cb 0.43 -1.20 -0.09 0.00 -0.57 0.00 0.00 31.44 30.01 1bio n GLU 210 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1bio s GLY 211 N -4.38 0.70 -0.15 0.62 0.00 -0.90 -1.91 107.32 101.30 1bio s GLY 211 Ca -0.08 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1bio s GLY 211 CO 0.29 -1.17 -0.19 0.14 0.00 0.00 0.00 173.10 172.17 1bio s VAL 212 N -3.99 1.88 -0.12 1.40 1.01 -0.49 -0.68 120.40 119.41 1bio s VAL 212 Ca 0.18 -0.86 -0.35 0.00 0.00 0.00 0.00 61.98 60.95 1bio s VAL 212 Cb 0.06 -1.70 -0.12 0.00 0.00 0.00 0.00 36.38 34.62 1bio s VAL 212 CO -0.02 0.51 1.86 0.52 0.00 0.00 0.00 175.10 177.98 1bio n VAL 213 N 4.33 0.54 -1.58 2.92 0.31 -0.04 -0.45 118.33 124.37 1bio n VAL 213 Ca -0.20 -0.10 -0.34 0.00 -0.01 0.00 0.00 64.34 63.70 1bio n VAL 213 Cb 0.51 -1.77 0.07 0.00 -0.91 0.00 0.00 33.84 31.75 1bio n VAL 213 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1bio s THR 214 N 3.99 2.67 -0.38 2.52 2.01 -0.72 -0.54 115.64 125.19 1bio s THR 214 Ca 0.94 0.33 0.05 0.00 0.31 0.00 0.00 61.69 63.32 1bio s THR 214 Cb -0.76 -2.88 0.48 0.00 0.01 0.00 0.00 72.50 69.35 1bio s THR 214 CO 0.54 -0.18 1.49 -1.54 -0.69 0.00 0.00 174.62 174.24 1bio n SER 215 N -2.56 4.66 -4.85 3.53 3.41 -1.26 -4.59 113.62 111.96 1bio n SER 215 Ca 0.12 -3.78 -0.36 0.00 -0.26 0.00 0.00 58.87 54.60 1bio n SER 215 Cb 0.51 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1bio n SER 215 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bio s GLY 216 N -2.80 2.42 0.34 5.00 0.00 -1.26 -4.81 107.32 106.20 1bio s GLY 216 Ca 0.52 -0.26 -0.29 0.00 0.00 0.00 0.00 44.72 44.70 1bio s GLY 216 CO 0.01 0.02 1.44 1.44 0.00 0.00 0.00 173.10 176.01 1bio n SER 217 N 1.11 3.38 -3.53 1.64 7.64 -1.26 -4.97 113.62 117.63 1bio n SER 217 Ca -0.09 1.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.82 1bio n SER 217 Cb 0.52 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.11 1bio n SER 217 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1bio s ARG 218 N -1.61 1.04 0.46 1.43 3.52 -1.26 -5.15 118.95 117.37 1bio s ARG 218 Ca 0.57 0.31 -0.23 0.00 -0.13 0.00 0.00 55.73 56.25 1bio s ARG 218 Cb -0.52 0.49 -0.08 0.00 -1.56 0.00 0.00 34.95 33.28 1bio s ARG 218 CO 0.59 -0.31 1.15 0.54 -0.81 0.00 0.00 175.30 176.46 1bio s VAL 219 N -1.08 3.20 -0.03 7.11 0.11 -1.26 -4.87 120.40 123.58 1bio s VAL 219 Ca -0.10 0.90 0.05 0.00 -2.93 0.00 0.00 61.98 59.90 1bio s VAL 219 Cb -0.00 -3.45 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 1bio s VAL 219 CO 0.09 -0.02 -0.17 0.00 -3.33 0.00 0.00 175.10 171.67 1bio n GLY 221 N 2.25 0.83 3.50 0.00 0.00 -1.25 -4.95 105.19 105.56 1bio n GLY 221 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1bio n GLY 221 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bio s ASN 222 N -2.71 6.20 0.56 1.61 3.84 -0.89 -0.84 114.94 122.72 1bio s ASN 222 Ca 0.00 -0.55 0.33 0.00 0.21 0.00 0.00 52.86 52.85 1bio s ASN 222 Cb 0.00 -2.22 1.78 0.00 -0.55 0.00 0.00 41.25 40.25 1bio s ASN 222 CO 0.00 -0.54 1.99 0.08 -2.79 0.00 0.00 177.10 175.84 1bio h ARG 223 N 8.67 0.00 -0.00 0.43 0.11 -1.85 -0.46 114.38 121.28 1bio h ARG 223 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1bio h ARG 223 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1bio h ARG 223 CO 0.78 0.00 -0.04 1.63 0.10 0.00 0.00 179.97 182.44 1bio n LYS 223 N -2.75 0.70 -3.46 0.08 4.76 -1.26 -4.16 118.16 112.07 1bio n LYS 223 Ca -0.02 -0.13 -0.27 0.00 -2.87 0.00 0.00 58.31 55.02 1bio n LYS 223 Cb 0.18 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 1bio n LYS 223 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1bio n LYS 224 N -1.03 0.69 -0.88 1.97 4.76 -0.18 -4.09 118.16 119.39 1bio n LYS 224 Ca 0.17 -3.50 -0.33 0.00 -2.87 0.00 0.00 58.31 51.77 1bio n LYS 224 Cb 0.23 -1.75 0.11 0.00 -1.84 0.00 0.00 35.03 31.79 1bio n LYS 224 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1bio n PRO 225 N 2.36 -0.18 -2.50 1.97 -0.02 -1.26 -4.72 135.00 130.64 1bio n PRO 225 Ca 0.27 -0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.36 1bio n PRO 225 Cb 0.46 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1bio n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bio s GLY 226 N -1.92 2.86 -0.12 -1.23 0.00 -0.70 -4.90 107.32 101.31 1bio s GLY 226 Ca 0.58 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 46.08 1bio s GLY 226 CO 0.66 1.28 -0.10 -0.42 0.00 0.00 0.00 173.10 174.52 1bio s ILE 227 N -1.47 3.35 -0.02 0.90 1.01 -1.26 -2.26 121.20 121.45 1bio s ILE 227 Ca 0.53 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1bio s ILE 227 Cb -0.26 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 1bio s ILE 227 CO 0.33 0.53 -0.09 -0.31 0.00 0.00 0.00 174.94 175.40 1bio s TYR 228 N 0.10 0.92 -0.04 3.97 1.51 0.00 -1.76 117.35 122.05 1bio s TYR 228 Ca -0.04 -0.21 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1bio s TYR 228 Cb -0.14 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1bio s TYR 228 CO 0.04 -0.07 0.99 0.99 -1.11 0.00 0.00 175.55 176.40 1bio s THR 229 N 0.02 4.83 -0.30 -0.71 2.01 0.41 -1.01 115.64 120.90 1bio s THR 229 Ca -0.00 2.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.76 1bio s THR 229 Cb -0.07 -4.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.12 1bio s THR 229 CO 0.00 0.10 1.37 -0.13 -0.69 0.00 0.00 174.62 175.28 1bio s ARG 230 N 1.40 3.85 0.27 4.92 0.52 -0.26 -1.40 118.95 128.26 1bio s ARG 230 Ca 0.51 1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 56.98 1bio s ARG 230 Cb -0.20 -3.93 0.37 0.00 0.52 0.00 0.00 34.95 31.71 1bio s ARG 230 CO 0.24 -1.21 1.87 -0.39 0.02 0.00 0.00 175.30 175.83 1bio h VAL 231 N 6.06 1.23 -0.87 3.52 -1.51 -1.70 -2.44 116.25 120.54 1bio h VAL 231 Ca -0.28 -0.65 0.19 0.00 -1.23 0.00 0.00 66.70 64.73 1bio h VAL 231 Cb 1.11 0.34 -0.06 0.00 -2.13 0.00 0.00 31.29 30.54 1bio h VAL 231 CO 1.03 0.27 0.57 0.00 -1.23 0.00 0.00 177.57 178.22 1bio h ALA 232 N 1.36 2.16 0.00 5.19 0.00 -1.75 0.14 119.26 126.35 1bio h ALA 232 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bio h ALA 232 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bio h ALA 232 CO -0.03 -0.42 0.00 0.77 0.00 0.00 0.00 179.25 179.57 1bio h SER 233 N 0.43 0.00 0.00 0.00 0.02 -1.74 -3.06 113.55 109.20 1bio h SER 233 Ca 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 1bio h SER 233 Cb 1.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 1bio h SER 233 CO -0.17 0.00 -0.26 -1.22 -1.14 0.00 0.00 176.83 174.04 1bio n TYR 234 N -2.46 0.00 -0.23 3.45 4.01 0.44 -4.83 117.16 117.54 1bio n TYR 234 Ca 0.01 -1.09 -0.01 0.00 -0.16 0.00 0.00 57.90 56.65 1bio n TYR 234 Cb 0.22 -0.18 0.10 0.00 -0.31 0.00 0.00 39.34 39.17 1bio n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bio h ALA 235 N 0.41 0.90 -0.68 -0.72 0.00 -1.37 -1.18 119.26 116.63 1bio h ALA 235 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1bio h ALA 235 Cb 1.07 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1bio h ALA 235 CO 0.00 0.04 0.23 0.00 0.00 0.00 0.00 179.25 179.53 1bio h ALA 236 N 1.36 0.88 -0.35 0.00 0.00 -1.88 -0.80 119.26 118.48 1bio h ALA 236 Ca 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1bio h ALA 236 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1bio h ALA 236 CO -0.19 0.54 0.10 2.35 0.00 0.00 0.00 179.25 182.05 1bio h TRP 237 N 0.98 0.57 -0.31 0.00 7.01 -1.79 0.65 115.95 123.06 1bio h TRP 237 Ca 0.22 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1bio h TRP 237 Cb 0.27 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1bio h TRP 237 CO 0.02 0.57 0.19 0.82 -2.79 0.00 0.00 178.44 177.24 1bio h ILE 238 N 0.41 1.10 -0.40 2.65 2.04 -1.06 -1.14 117.51 121.10 1bio h ILE 238 Ca 0.11 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1bio h ILE 238 Cb 0.27 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1bio h ILE 238 CO -0.00 0.10 0.18 0.44 0.00 0.00 0.00 178.15 178.87 1bio h ASP 239 N 0.40 0.24 -0.56 1.72 3.32 -0.97 -1.84 116.42 118.72 1bio h ASP 239 Ca 0.11 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1bio h ASP 239 Cb 0.00 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.48 1bio h ASP 239 CO -0.02 0.18 0.25 0.77 -1.72 0.00 0.00 179.24 178.70 1bio h SER 240 N 0.37 0.32 0.07 6.45 4.64 -0.37 -1.51 113.55 123.50 1bio h SER 240 Ca 0.18 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.42 1bio h SER 240 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1bio h SER 240 CO -0.14 0.21 -0.41 0.58 -0.87 0.00 0.00 176.83 176.19 1bio h VAL 241 N 0.47 1.31 -0.01 0.95 2.07 -0.82 -2.80 116.25 117.41 1bio h VAL 241 Ca 0.26 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1bio h VAL 241 Cb 0.24 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1bio h VAL 241 CO -0.22 0.48 -0.02 0.18 0.02 0.00 0.00 177.57 178.01 1bio n LEU 242 N -4.02 0.75 0.00 2.57 4.32 -0.73 -5.12 117.00 114.77 1bio n LEU 242 Ca -0.02 -0.23 0.05 0.00 -0.02 0.00 0.00 56.01 55.80 1bio n LEU 242 Cb 0.51 -0.03 0.30 0.00 -1.62 0.00 0.00 43.42 42.58 1bio n LEU 242 CO 0.44 0.13 0.52 0.00 -1.22 0.00 0.00 177.39 177.26