#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dic s LEU 17 N 0.00 3.88 -0.86 1.39 1.02 -0.02 -4.09 118.68 119.99 1dic s LEU 17 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.34 1dic s LEU 17 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1dic s LEU 17 CO 0.00 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.27 1dic n GLY 18 N 2.79 0.91 0.00 -3.19 0.00 -1.24 -1.71 105.19 102.74 1dic n GLY 18 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1dic n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dic n GLY 19 N -1.86 4.37 3.26 -0.02 0.00 -1.26 -4.85 105.19 104.84 1dic n GLY 19 Ca -0.08 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1dic n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dic s ARG 20 N 2.25 0.99 0.34 1.61 1.70 -0.44 -4.94 118.95 120.45 1dic s ARG 20 Ca 0.00 -1.06 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 1dic s ARG 20 Cb 0.00 0.36 -0.11 0.00 -0.57 0.00 0.00 34.95 34.63 1dic s ARG 20 CO 0.00 -0.34 1.53 -2.00 -1.08 0.00 0.00 175.30 173.42 1dic s GLU 21 N -3.91 4.12 0.54 3.89 2.12 -1.26 -0.90 118.70 123.30 1dic s GLU 21 Ca 0.11 2.57 -0.14 0.00 0.36 0.00 0.00 54.97 57.86 1dic s GLU 21 Cb 0.04 -3.00 -0.07 0.00 0.26 0.00 0.00 34.13 31.37 1dic s GLU 21 CO -0.06 -0.58 0.98 0.00 -0.54 0.00 0.00 175.26 175.07 1dic s ALA 22 N -0.59 3.10 0.13 6.30 0.00 0.83 -4.79 121.76 126.73 1dic s ALA 22 Ca 0.58 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 1dic s ALA 22 Cb -0.47 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1dic s ALA 22 CO 0.56 -0.36 1.61 -1.21 0.00 0.00 0.00 175.76 176.36 1dic s GLU 23 N -4.39 4.21 -0.06 0.00 8.01 -1.26 -4.85 118.70 120.35 1dic s GLU 23 Ca 0.57 2.36 -0.35 0.00 0.01 0.00 0.00 54.97 57.56 1dic s GLU 23 Cb -0.10 -3.32 -0.13 0.00 -4.31 0.00 0.00 34.13 26.27 1dic s GLU 23 CO 0.38 -0.66 1.78 0.00 0.01 0.00 0.00 175.26 176.78 1dic n ALA 24 N 4.57 0.72 -1.78 5.21 0.00 -1.26 -2.11 120.51 125.87 1dic n ALA 24 Ca 0.15 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 1dic n ALA 24 Cb 0.39 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 1dic n ALA 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dic n HIS 25 N 5.70 -0.23 1.25 0.00 8.25 -1.26 -4.86 115.22 124.07 1dic n HIS 25 Ca 0.22 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.82 1dic n HIS 25 Cb 0.26 -3.60 0.65 0.00 1.12 0.00 0.00 29.99 28.42 1dic n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dic n ALA 26 N 0.63 2.56 -3.51 -1.41 0.00 -0.89 -4.08 120.51 113.80 1dic n ALA 26 Ca -0.22 -0.16 -0.27 0.00 0.00 0.00 0.00 53.44 52.79 1dic n ALA 26 Cb 0.69 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1dic n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dic n ARG 27 N -1.32 1.45 0.04 0.00 1.74 -1.26 -4.98 116.66 112.34 1dic n ARG 27 Ca 0.11 -4.00 0.03 0.00 -0.77 0.00 0.00 57.85 53.22 1dic n ARG 27 Cb 0.29 -1.92 0.15 0.00 -1.02 0.00 0.00 32.46 29.95 1dic n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1dic n PRO 28 N 1.71 0.04 0.00 5.56 -0.04 -1.26 -1.64 135.00 139.36 1dic n PRO 28 Ca 0.25 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.35 1dic n PRO 28 Cb 0.43 -1.65 0.28 0.00 -0.04 0.00 0.00 33.50 32.52 1dic n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1dic n TYR 29 N -1.68 0.00 -2.04 0.54 0.18 -1.14 -2.33 117.16 110.69 1dic n TYR 29 Ca -0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1dic n TYR 29 Cb 0.04 -0.27 -0.03 0.00 -0.38 0.00 0.00 39.34 38.70 1dic n TYR 29 CO 0.00 0.00 0.00 1.41 -2.08 0.00 0.00 176.86 176.19 1dic s MET 30 N -3.00 4.28 0.07 -3.48 1.75 -0.65 -1.28 119.30 116.98 1dic s MET 30 Ca 0.11 2.24 0.06 0.00 -1.25 0.00 0.00 55.69 56.85 1dic s MET 30 Cb 0.18 -3.16 -0.03 0.00 2.84 0.00 0.00 34.83 34.65 1dic s MET 30 CO 0.69 -0.46 -0.16 0.00 -0.65 0.00 0.00 175.02 174.43 1dic s ALA 31 N 0.61 1.32 -0.22 4.11 0.00 -0.56 -4.37 121.76 122.64 1dic s ALA 31 Ca 0.64 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1dic s ALA 31 Cb -0.41 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1dic s ALA 31 CO 0.36 0.22 -0.07 0.45 0.00 0.00 0.00 175.76 176.73 1dic s SER 32 N -1.63 4.14 -0.30 0.00 0.15 -0.84 -1.27 113.70 113.95 1dic s SER 32 Ca 0.01 -0.55 -0.19 0.00 0.70 0.00 0.00 55.95 55.92 1dic s SER 32 Cb -0.10 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.52 1dic s SER 32 CO 0.02 -0.05 0.57 -0.69 1.20 0.00 0.00 173.24 174.30 1dic s VAL 33 N 1.42 4.99 0.08 4.45 1.01 0.40 -0.55 120.40 132.20 1dic s VAL 33 Ca 0.04 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1dic s VAL 33 Cb -0.15 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1dic s VAL 33 CO -0.05 -0.08 -0.09 -1.10 0.00 0.00 0.00 175.10 173.78 1dic s GLN 34 N 2.47 2.25 -0.22 2.72 -0.21 0.05 -0.08 119.66 126.64 1dic s GLN 34 Ca 0.23 -0.95 0.01 0.00 0.02 0.00 0.00 55.36 54.68 1dic s GLN 34 Cb -0.15 -2.36 0.05 0.00 1.00 0.00 0.00 33.01 31.55 1dic s GLN 34 CO 0.11 0.53 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.54 1dic s LEU 35 N -2.02 2.67 -1.32 2.90 2.96 -0.22 -1.32 118.68 122.33 1dic s LEU 35 Ca 0.21 -1.09 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 1dic s LEU 35 Cb -0.11 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.27 1dic s LEU 35 CO 0.12 -0.17 0.98 0.59 -1.32 0.00 0.00 176.35 176.56 1dic n ASN 36 N 4.61 -3.46 0.00 3.68 3.02 -0.13 -2.32 115.26 120.66 1dic n ASN 36 Ca -0.14 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1dic n ASN 36 Cb 0.45 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 1dic n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dic n GLY 38 N -1.56 1.03 3.50 7.41 0.00 -1.26 -5.01 105.19 109.28 1dic n GLY 38 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1dic n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dic s ALA 39 N -3.73 2.79 0.30 4.61 0.00 -0.98 -5.07 121.76 119.69 1dic s ALA 39 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1dic s ALA 39 Cb 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 23.12 21.85 1dic s ALA 39 CO 0.00 0.48 1.52 1.58 0.00 0.00 0.00 175.76 179.34 1dic n HIS 40 N 2.61 2.70 0.01 0.00 -0.00 -1.26 -1.05 115.22 118.23 1dic n HIS 40 Ca -0.18 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1dic n HIS 40 Cb 0.53 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 1dic n HIS 40 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1dic n LEU 41 N 1.83 0.20 -3.97 0.27 7.94 0.89 -4.83 117.00 119.33 1dic n LEU 41 Ca 0.08 0.04 -0.09 0.00 -1.11 0.00 0.00 56.01 54.92 1dic n LEU 41 Cb 0.36 -0.05 -0.08 0.00 0.53 0.00 0.00 43.42 44.18 1dic n LEU 41 CO 0.64 -0.20 -0.12 0.00 -1.11 0.00 0.00 177.39 176.60 1dic s GLY 43 N -2.95 1.68 0.16 0.00 0.00 -0.15 -0.45 107.32 105.61 1dic s GLY 43 Ca 0.14 -0.93 -0.24 0.00 0.00 0.00 0.00 44.72 43.69 1dic s GLY 43 CO -0.04 -0.42 0.79 -0.32 0.00 0.00 0.00 173.10 173.11 1dic s GLY 44 N -4.62 -0.32 -0.05 0.20 0.00 -0.39 -3.68 107.32 98.45 1dic s GLY 44 Ca 0.64 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.62 1dic s GLY 44 CO 0.48 0.07 -0.08 0.14 0.00 0.00 0.00 173.10 173.71 1dic s VAL 45 N -3.56 0.77 -0.31 1.40 1.01 -0.07 -1.49 120.40 118.15 1dic s VAL 45 Ca 0.08 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1dic s VAL 45 Cb -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1dic s VAL 45 CO -0.02 0.27 1.08 -0.22 0.00 0.00 0.00 175.10 176.21 1dic s LEU 46 N 0.67 3.95 0.00 3.92 2.96 -0.40 -0.70 118.68 129.08 1dic s LEU 46 Ca -0.11 1.09 0.10 0.00 -0.22 0.00 0.00 54.13 54.99 1dic s LEU 46 Cb -0.14 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1dic s LEU 46 CO 0.01 -0.87 0.49 1.33 -1.32 0.00 0.00 176.35 176.00 1dic n VAL 47 N 5.83 0.00 -3.75 1.68 0.24 -0.72 -1.33 118.33 120.28 1dic n VAL 47 Ca 0.12 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 62.02 1dic n VAL 47 Cb 0.47 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.86 1dic n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dic s ALA 48 N -1.74 -1.23 0.46 2.33 0.00 -1.16 -4.70 121.76 115.72 1dic s ALA 48 Ca 0.05 -0.14 0.16 0.00 0.00 0.00 0.00 51.96 52.03 1dic s ALA 48 Cb 0.08 0.87 1.12 0.00 0.00 0.00 0.00 23.12 25.19 1dic s ALA 48 CO 0.35 -0.94 1.99 0.93 0.00 0.00 0.00 175.76 178.09 1dic h GLU 49 N 2.03 0.29 0.00 0.00 5.08 -1.96 -2.80 114.58 117.22 1dic h GLU 49 Ca -0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1dic h GLU 49 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1dic h GLU 49 CO 0.29 0.19 -0.01 0.94 -1.00 0.00 0.00 179.01 179.42 1dic n GLN 50 N -4.46 1.81 -4.24 2.33 7.27 -1.26 -0.17 117.38 118.66 1dic n GLN 50 Ca 0.09 -2.13 -0.19 0.00 0.07 0.00 0.00 57.00 54.84 1dic n GLN 50 Cb 0.41 -1.28 -0.16 0.00 2.41 0.00 0.00 30.24 31.62 1dic n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1dic s TRP 51 N -2.11 0.77 -0.08 3.69 0.52 -1.06 -1.35 118.94 119.32 1dic s TRP 51 Ca 0.20 -0.20 0.05 0.00 0.02 0.00 0.00 56.10 56.16 1dic s TRP 51 Cb 0.17 -0.61 -0.01 0.00 -1.15 0.00 0.00 33.47 31.87 1dic s TRP 51 CO 0.02 -0.13 -0.24 0.08 0.02 0.00 0.00 176.95 176.70 1dic s VAL 52 N 0.52 2.15 -0.16 4.03 1.01 -0.44 -1.76 120.40 125.74 1dic s VAL 52 Ca -0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 1dic s VAL 52 Cb -0.11 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1dic s VAL 52 CO 0.00 0.56 0.19 -0.22 0.00 0.00 0.00 175.10 175.63 1dic s LEU 53 N 0.10 4.27 0.00 3.92 2.96 0.13 -0.31 118.68 129.75 1dic s LEU 53 Ca -0.11 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1dic s LEU 53 Cb -0.16 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.35 1dic s LEU 53 CO 0.06 0.22 0.00 -0.24 -1.32 0.00 0.00 176.35 175.07 1dic n SER 54 N 3.10 0.00 -4.74 3.68 2.88 -0.14 -0.89 113.62 117.50 1dic n SER 54 Ca -0.16 -0.38 -0.35 0.00 -1.33 0.00 0.00 58.87 56.65 1dic n SER 54 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1dic n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dic s ALA 55 N -1.72 3.47 0.18 -1.46 0.00 -1.26 -1.19 121.76 119.78 1dic s ALA 55 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 1dic s ALA 55 Cb 0.00 -1.62 0.11 0.00 0.00 0.00 0.00 23.12 21.61 1dic s ALA 55 CO 0.00 0.60 1.82 0.00 0.00 0.00 0.00 175.76 178.18 1dic h ALA 56 N 5.03 0.68 0.00 0.00 0.00 -1.66 -2.61 119.26 120.70 1dic h ALA 56 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1dic h ALA 56 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1dic h ALA 56 CO 0.56 0.02 0.00 0.72 0.00 0.00 0.00 179.25 180.55 1dic n HIS 57 N -4.79 0.07 0.07 0.00 8.25 -1.26 -1.20 115.22 116.36 1dic n HIS 57 Ca 0.04 0.03 -0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1dic n HIS 57 Cb 0.08 -0.55 0.10 0.00 1.12 0.00 0.00 29.99 30.73 1dic n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dic h LEU 59 N 0.21 0.04 -1.28 0.00 5.85 -1.30 -3.22 115.31 115.61 1dic h LEU 59 Ca -0.01 -0.03 0.30 0.00 0.84 0.00 0.00 57.88 58.98 1dic h LEU 59 Cb 1.14 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 1dic h LEU 59 CO 0.10 0.82 0.68 -0.08 -0.34 0.00 0.00 178.44 179.62 1dic h GLU 60 N 0.02 0.34 -2.04 1.25 4.81 -1.43 -1.36 114.58 116.15 1dic h GLU 60 Ca -0.01 -0.02 -0.77 0.00 -0.13 0.00 0.00 59.36 58.42 1dic h GLU 60 Cb 1.41 -0.08 -0.27 0.00 0.63 0.00 0.00 28.75 30.44 1dic h GLU 60 CO 0.11 0.22 1.06 -3.47 -0.73 0.00 0.00 179.01 176.20 1dic n ASP 61 N -4.73 7.50 0.00 1.04 2.03 -1.22 -4.83 116.55 116.35 1dic n ASP 61 Ca 0.29 -3.80 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1dic n ASP 61 Cb 0.98 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1dic n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dic n ALA 61 N -0.44 0.00 -2.44 -1.67 0.00 -0.52 -4.75 120.51 110.70 1dic n ALA 61 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 1dic n ALA 61 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 1dic n ALA 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dic n ASP 61 N 0.00 6.77 0.00 0.00 5.68 -1.26 -4.94 116.55 122.81 1dic n ASP 61 Ca 0.00 -3.31 0.00 0.00 -0.50 0.00 0.00 54.79 50.98 1dic n ASP 61 Cb 0.00 -1.33 0.00 0.00 -1.14 0.00 0.00 41.12 38.65 1dic n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dic n GLY 62 N 1.54 0.54 3.62 6.12 0.00 -1.26 -4.94 105.19 110.80 1dic n GLY 62 Ca 0.45 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1dic n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dic s LYS 63 N -2.00 4.01 -0.13 1.61 2.20 -1.26 -4.94 119.74 119.24 1dic s LYS 63 Ca 0.00 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.21 1dic s LYS 63 Cb 0.00 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1dic s LYS 63 CO 0.00 -0.10 0.41 0.54 -0.36 0.00 0.00 175.35 175.84 1dic s VAL 64 N 1.54 5.22 0.17 4.02 0.11 -1.26 -0.95 120.40 129.24 1dic s VAL 64 Ca 0.09 0.81 0.02 0.00 -2.93 0.00 0.00 61.98 59.97 1dic s VAL 64 Cb -0.15 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 30.90 1dic s VAL 64 CO 0.09 0.36 -0.01 -1.10 -3.33 0.00 0.00 175.10 171.11 1dic s GLN 65 N 0.48 1.09 -0.12 1.54 -0.21 -0.44 -3.89 119.66 118.11 1dic s GLN 65 Ca 0.23 -1.52 0.01 0.00 0.02 0.00 0.00 55.36 54.09 1dic s GLN 65 Cb -0.14 -0.29 0.02 0.00 1.00 0.00 0.00 33.01 33.59 1dic s GLN 65 CO 0.08 -0.11 -0.13 0.08 -2.12 0.00 0.00 175.29 173.09 1dic s VAL 66 N -3.63 1.41 -0.26 1.09 1.01 -0.33 -0.77 120.40 118.93 1dic s VAL 66 Ca 0.23 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 1dic s VAL 66 Cb 0.06 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1dic s VAL 66 CO 0.03 0.43 0.25 -0.22 0.00 0.00 0.00 175.10 175.59 1dic s LEU 67 N 1.32 4.07 0.23 3.92 2.96 0.29 -0.87 118.68 130.60 1dic s LEU 67 Ca -0.00 0.15 0.10 0.00 -0.22 0.00 0.00 54.13 54.16 1dic s LEU 67 Cb -0.14 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1dic s LEU 67 CO -0.06 -0.05 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.06 1dic s LEU 68 N 1.57 2.91 -1.25 -0.68 1.43 -0.34 -1.98 118.68 120.34 1dic s LEU 68 Ca 0.10 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1dic s LEU 68 Cb -0.15 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1dic s LEU 68 CO 0.08 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1dic n GLY 69 N -0.41 0.62 3.82 -3.19 0.00 -1.26 -1.61 105.19 103.16 1dic n GLY 69 Ca -0.08 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1dic n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dic s ALA 70 N -2.57 3.62 0.03 4.61 0.00 -1.26 -3.29 121.76 122.90 1dic s ALA 70 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1dic s ALA 70 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1dic s ALA 70 CO 0.00 0.44 0.00 1.58 0.00 0.00 0.00 175.76 177.78 1dic n HIS 71 N -0.60 -0.11 -3.72 0.00 -0.00 -1.26 -4.70 115.22 104.82 1dic n HIS 71 Ca -0.08 0.02 -0.36 0.00 0.46 0.00 0.00 57.72 57.75 1dic n HIS 71 Cb 0.55 0.09 -0.07 0.00 -0.12 0.00 0.00 29.99 30.45 1dic n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1dic s SER 72 N -5.19 6.39 0.33 0.26 0.15 -1.26 -1.78 113.70 112.60 1dic s SER 72 Ca 0.00 0.46 0.16 0.00 0.70 0.00 0.00 55.95 57.27 1dic s SER 72 Cb 0.00 -2.12 0.47 0.00 -1.71 0.00 0.00 66.02 62.66 1dic s SER 72 CO 0.00 0.26 1.63 -0.07 1.20 0.00 0.00 173.24 176.27 1dic h LEU 73 N 5.83 0.00 0.00 3.45 3.38 -1.15 -3.36 115.31 123.46 1dic h LEU 73 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1dic h LEU 73 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1dic h LEU 73 CO 0.68 0.46 -1.69 -1.54 0.09 0.00 0.00 178.44 176.44 1dic n SER 74 N -3.48 1.73 -4.87 -0.43 3.41 -1.26 -5.01 113.62 103.72 1dic n SER 74 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1dic n SER 74 Cb 0.59 1.55 -0.06 0.00 -0.26 0.00 0.00 64.21 66.04 1dic n SER 74 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dic s GLN 75 N -2.91 3.73 0.35 4.33 -0.21 -1.26 -5.05 119.66 118.64 1dic s GLN 75 Ca -0.05 0.14 -0.28 0.00 0.02 0.00 0.00 55.36 55.19 1dic s GLN 75 Cb 0.08 -3.06 -0.10 0.00 1.00 0.00 0.00 33.01 30.93 1dic s GLN 75 CO 0.59 0.61 1.32 -2.14 -2.12 0.00 0.00 175.29 173.55 1dic s PRO 76 N -1.69 4.26 -0.02 2.91 0.02 -1.26 -4.81 135.00 134.41 1dic s PRO 76 Ca 0.29 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 1dic s PRO 76 Cb -0.14 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1dic s PRO 76 CO 0.16 -0.28 0.06 -1.21 -0.33 0.00 0.00 177.00 175.40 1dic s GLU 77 N -1.91 0.05 0.47 5.54 2.02 -1.26 -5.05 118.70 118.56 1dic s GLU 77 Ca 0.51 0.10 0.18 0.00 0.02 0.00 0.00 54.97 55.78 1dic s GLU 77 Cb -0.40 -0.01 1.17 0.00 0.10 0.00 0.00 34.13 35.00 1dic s GLU 77 CO 0.53 -0.03 1.99 -1.35 0.02 0.00 0.00 175.26 176.42 1dic h PRO 78 N 6.25 0.23 0.00 0.39 0.11 -1.95 -2.25 132.00 134.78 1dic h PRO 78 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1dic h PRO 78 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dic h PRO 78 CO 0.47 0.15 -0.25 0.66 -0.21 0.00 0.00 178.00 178.83 1dic h SER 79 N 0.24 0.00 -3.57 -2.05 4.64 -1.95 -3.47 113.55 107.39 1dic h SER 79 Ca 0.26 -0.08 -0.53 0.00 -0.47 0.00 0.00 61.79 60.98 1dic h SER 79 Cb 0.69 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.84 1dic h SER 79 CO -0.05 0.04 0.72 -0.54 -0.87 0.00 0.00 176.83 176.13 1dic s LYS 80 N -3.14 4.28 -0.16 4.77 1.02 -0.85 -4.30 119.74 121.37 1dic s LYS 80 Ca 0.08 2.29 -0.08 0.00 0.02 0.00 0.00 55.97 58.29 1dic s LYS 80 Cb 0.12 -3.09 0.06 0.00 -0.52 0.00 0.00 37.83 34.40 1dic s LYS 80 CO 0.65 -0.36 0.36 0.50 -0.92 0.00 0.00 175.35 175.59 1dic s ARG 81 N -0.90 0.32 -0.27 1.68 3.00 -0.63 -4.95 118.95 117.19 1dic s ARG 81 Ca 0.56 0.76 -0.10 0.00 -1.00 0.00 0.00 55.73 55.94 1dic s ARG 81 Cb -0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 34.95 34.49 1dic s ARG 81 CO 0.47 -0.18 0.16 -1.17 0.00 0.00 0.00 175.30 174.58 1dic s LEU 82 N 1.59 3.88 -0.08 -0.88 2.96 -1.26 -1.19 118.68 123.70 1dic s LEU 82 Ca -0.08 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1dic s LEU 82 Cb -0.10 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1dic s LEU 82 CO -0.11 -0.03 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.54 1dic s TYR 83 N 1.65 3.06 0.74 5.38 1.51 -0.05 -4.96 117.35 124.68 1dic s TYR 83 Ca 0.07 0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 56.13 1dic s TYR 83 Cb -0.16 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 39.98 1dic s TYR 83 CO 0.09 0.40 1.11 -0.51 -1.11 0.00 0.00 175.55 175.53 1dic s ASP 84 N -0.82 5.06 -0.17 2.29 1.01 -1.26 -1.19 116.67 121.58 1dic s ASP 84 Ca 0.12 0.94 -0.02 0.00 0.71 0.00 0.00 52.55 54.31 1dic s ASP 84 Cb -0.11 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.19 1dic s ASP 84 CO 0.02 -1.56 -0.10 -0.69 0.21 0.00 0.00 175.17 173.05 1dic s VAL 85 N -3.42 3.09 -0.04 -1.27 1.01 -1.25 -1.05 120.40 117.47 1dic s VAL 85 Ca 0.59 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1dic s VAL 85 Cb -0.11 -2.34 -0.19 0.00 0.00 0.00 0.00 36.38 33.74 1dic s VAL 85 CO 0.50 0.49 1.10 0.25 0.00 0.00 0.00 175.10 177.44 1dic h LEU 86 N 7.36 -0.09 -7.41 3.92 6.46 -0.05 -3.45 115.31 122.06 1dic h LEU 86 Ca -0.34 -0.47 -0.08 0.00 -0.12 0.00 0.00 57.88 56.88 1dic h LEU 86 Cb 1.18 0.02 -0.17 0.00 -0.73 0.00 0.00 40.66 40.97 1dic h LEU 86 CO 0.59 0.46 -0.13 0.00 -0.62 0.00 0.00 178.44 178.73 1dic s ARG 87 N -3.85 0.90 -0.14 1.25 1.70 -1.16 -5.00 118.95 112.64 1dic s ARG 87 Ca -0.15 -0.38 0.01 0.00 -0.47 0.00 0.00 55.73 54.74 1dic s ARG 87 Cb 0.01 0.40 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1dic s ARG 87 CO 0.60 -0.31 -0.17 0.00 -1.08 0.00 0.00 175.30 174.35 1dic s ALA 88 N -2.48 2.43 -0.47 7.88 0.00 -1.26 -0.46 121.76 127.41 1dic s ALA 88 Ca -0.05 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1dic s ALA 88 Cb -0.01 -1.14 0.12 0.00 0.00 0.00 0.00 23.12 22.10 1dic s ALA 88 CO -0.02 0.04 0.21 0.08 0.00 0.00 0.00 175.76 176.06 1dic s VAL 89 N 0.70 2.42 0.64 0.00 1.01 0.11 -4.98 120.40 120.30 1dic s VAL 89 Ca -0.08 -3.02 -0.14 0.00 0.00 0.00 0.00 61.98 58.75 1dic s VAL 89 Cb -0.16 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1dic s VAL 89 CO 0.01 -0.76 1.06 -2.16 0.00 0.00 0.00 175.10 173.26 1dic s PRO 90 N 0.06 3.10 0.24 2.72 0.04 -1.26 -1.36 135.00 138.54 1dic s PRO 90 Ca 0.15 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 1dic s PRO 90 Cb -0.24 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.19 1dic s PRO 90 CO -0.02 -0.98 1.53 -1.58 0.04 0.00 0.00 177.00 175.98 1dic s HIS 91 N -2.64 2.94 0.60 0.56 2.46 -0.65 -4.90 115.29 113.66 1dic s HIS 91 Ca 0.62 0.83 0.30 0.00 0.47 0.00 0.00 55.06 57.28 1dic s HIS 91 Cb -0.16 -3.94 1.74 0.00 -0.13 0.00 0.00 32.58 30.09 1dic s HIS 91 CO 0.44 -3.20 2.12 -1.00 -2.47 0.00 0.00 174.74 170.63 1dic h PRO 92 N 5.43 0.00 -0.01 2.88 0.13 -1.92 -2.14 132.00 136.35 1dic h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1dic h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dic h PRO 92 CO 0.82 0.00 -0.15 -0.25 -0.23 0.00 0.00 178.00 178.19 1dic n ASP 93 N -3.68 1.55 -4.77 1.44 8.00 -1.26 -4.95 116.55 112.88 1dic n ASP 93 Ca 0.01 -1.33 -0.39 0.00 0.71 0.00 0.00 54.79 53.79 1dic n ASP 93 Cb 0.29 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1dic n ASP 93 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1dic s SER 94 N -2.24 6.60 0.09 -2.24 1.04 -0.81 -4.87 113.70 111.27 1dic s SER 94 Ca 0.30 2.49 0.06 0.00 0.48 0.00 0.00 55.95 59.28 1dic s SER 94 Cb 0.20 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1dic s SER 94 CO 0.43 -0.63 -0.15 -1.10 0.98 0.00 0.00 173.24 172.76 1dic s GLN 95 N -2.08 0.93 0.46 4.02 -0.21 -1.26 -5.03 119.66 116.49 1dic s GLN 95 Ca 0.54 -1.07 0.15 0.00 0.02 0.00 0.00 55.36 55.00 1dic s GLN 95 Cb -0.35 -0.96 1.06 0.00 1.00 0.00 0.00 33.01 33.76 1dic s GLN 95 CO 0.45 0.21 2.02 -1.00 -2.12 0.00 0.00 175.29 174.84 1dic h PRO 96 N 4.06 0.00 -0.61 2.91 0.13 -1.98 -2.78 132.00 133.72 1dic h PRO 96 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1dic h PRO 96 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dic h PRO 96 CO 0.43 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 1dic n ASP 97 N -4.32 3.54 -4.20 1.44 5.75 -1.26 -4.95 116.55 112.55 1dic n ASP 97 Ca -0.03 -2.15 -0.12 0.00 -0.01 0.00 0.00 54.79 52.48 1dic n ASP 97 Cb 0.22 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 1dic n ASP 97 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1dic s THR 98 N -1.45 0.50 -2.45 2.12 -4.23 -1.05 -5.04 115.64 104.04 1dic s THR 98 Ca 0.41 -1.95 0.21 0.00 -1.18 0.00 0.00 61.69 59.18 1dic s THR 98 Cb 0.23 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 72.30 1dic s THR 98 CO 0.24 -0.55 1.22 2.30 -0.54 0.00 0.00 174.62 177.30 1dic n ILE 99 N -0.16 0.18 -2.40 2.99 -5.35 -1.26 -4.69 119.36 108.67 1dic n ILE 99 Ca -0.07 -0.59 -0.33 0.00 -0.27 0.00 0.00 62.75 61.48 1dic n ILE 99 Cb 0.63 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.77 1dic n ILE 99 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1dic s ASP 100 N -1.61 6.27 -1.61 7.28 1.01 -1.26 -3.83 116.67 122.93 1dic s ASP 100 Ca 0.28 1.82 -0.16 0.00 0.71 0.00 0.00 52.55 55.20 1dic s ASP 100 Cb 0.18 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.70 1dic s ASP 100 CO 0.27 -0.83 0.80 1.41 0.21 0.00 0.00 175.17 177.03 1dic n HIS 101 N -1.33 -1.89 -1.35 4.23 8.25 -1.26 -4.48 115.22 117.39 1dic n HIS 101 Ca 0.09 0.78 -0.34 0.00 -0.26 0.00 0.00 57.72 57.99 1dic n HIS 101 Cb 0.53 -3.18 -0.05 0.00 1.12 0.00 0.00 29.99 28.41 1dic n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1dic n ASP 102 N -2.64 7.98 -4.39 0.41 2.03 -1.25 -4.28 116.55 114.40 1dic n ASP 102 Ca 0.06 -2.65 -0.27 0.00 0.52 0.00 0.00 54.79 52.45 1dic n ASP 102 Cb 0.50 -1.50 -0.12 0.00 -0.72 0.00 0.00 41.12 39.28 1dic n ASP 102 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dic s LEU 103 N -0.25 2.37 -0.11 -2.67 1.43 -1.26 -2.95 118.68 115.24 1dic s LEU 103 Ca 0.67 -0.80 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1dic s LEU 103 Cb 0.21 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 45.32 1dic s LEU 103 CO -0.06 0.14 0.27 -0.22 0.23 0.00 0.00 176.35 176.71 1dic s LEU 104 N -2.31 0.50 -0.15 1.79 2.96 -0.34 -1.63 118.68 119.50 1dic s LEU 104 Ca 0.16 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.61 1dic s LEU 104 Cb -0.09 0.86 -0.02 0.00 0.50 0.00 0.00 46.19 47.43 1dic s LEU 104 CO 0.07 -0.15 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.14 1dic s LEU 105 N 0.99 3.15 -0.18 -0.68 1.43 -0.46 -0.97 118.68 121.95 1dic s LEU 105 Ca -0.07 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1dic s LEU 105 Cb -0.08 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1dic s LEU 105 CO -0.07 0.17 -0.09 -0.76 0.23 0.00 0.00 176.35 175.83 1dic s LEU 106 N 0.36 2.78 -0.26 1.79 1.43 0.58 0.04 118.68 125.40 1dic s LEU 106 Ca -0.05 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 1dic s LEU 106 Cb -0.15 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1dic s LEU 106 CO 0.03 0.05 0.38 -1.58 0.23 0.00 0.00 176.35 175.47 1dic s GLN 107 N 1.03 4.04 0.53 1.70 0.74 0.39 -1.32 119.66 126.76 1dic s GLN 107 Ca -0.00 0.07 -0.19 0.00 0.05 0.00 0.00 55.36 55.29 1dic s GLN 107 Cb -0.15 -3.64 -0.07 0.00 1.10 0.00 0.00 33.01 30.26 1dic s GLN 107 CO -0.01 -0.25 1.08 -0.51 -0.55 0.00 0.00 175.29 175.04 1dic s LEU 108 N 1.99 3.75 0.66 3.68 1.43 -0.46 0.59 118.68 130.33 1dic s LEU 108 Ca 0.16 2.01 0.39 0.00 -1.03 0.00 0.00 54.13 55.66 1dic s LEU 108 Cb -0.16 -4.56 2.16 0.00 0.03 0.00 0.00 46.19 43.66 1dic s LEU 108 CO 0.10 -1.02 2.25 0.77 0.23 0.00 0.00 176.35 178.67 1dic h SER 109 N 1.23 0.00 -5.02 2.29 4.64 -1.39 -3.39 113.55 111.90 1dic h SER 109 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1dic h SER 109 Cb 1.24 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.23 1dic h SER 109 CO 0.58 0.00 0.17 -1.83 -0.87 0.00 0.00 176.83 174.88 1dic s GLU 110 N -4.22 1.46 0.34 4.77 -1.05 -1.26 -4.95 118.70 113.80 1dic s GLU 110 Ca -0.05 -0.73 -0.29 0.00 -0.15 0.00 0.00 54.97 53.75 1dic s GLU 110 Cb 0.12 0.58 -0.11 0.00 -0.44 0.00 0.00 34.13 34.28 1dic s GLU 110 CO 0.40 -0.65 1.51 0.15 0.95 0.00 0.00 175.26 177.63 1dic s LYS 111 N -3.83 4.14 0.23 -4.83 1.02 -1.26 -4.76 119.74 110.44 1dic s LYS 111 Ca 0.06 2.54 -0.30 0.00 0.02 0.00 0.00 55.97 58.29 1dic s LYS 111 Cb -0.03 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.20 1dic s LYS 111 CO -0.04 -0.54 1.23 0.00 -0.92 0.00 0.00 175.35 175.07 1dic s ALA 112 N -0.70 3.46 -0.21 5.17 0.00 0.76 -4.95 121.76 125.30 1dic s ALA 112 Ca 0.56 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1dic s ALA 112 Cb -0.46 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 1dic s ALA 112 CO 0.56 -0.42 1.54 0.99 0.00 0.00 0.00 175.76 178.44 1dic s THR 113 N -0.38 3.80 0.44 0.00 2.01 -1.26 -4.97 115.64 115.27 1dic s THR 113 Ca 0.52 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 63.35 1dic s THR 113 Cb -0.35 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1dic s THR 113 CO 0.40 -0.28 0.78 -0.76 -0.69 0.00 0.00 174.62 174.08 1dic s LEU 114 N 4.78 3.75 0.00 4.42 1.43 -1.26 -4.83 118.68 126.97 1dic s LEU 114 Ca 0.68 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1dic s LEU 114 Cb -0.24 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 41.99 1dic s LEU 114 CO 0.27 -0.47 0.01 0.61 0.23 0.00 0.00 176.35 177.00 1dic n GLY 115 N -1.65 0.80 0.24 -3.19 0.00 -0.06 -4.94 105.19 96.38 1dic n GLY 115 Ca 0.02 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1dic n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dic h PRO 118 N 0.00 0.00 -0.02 1.61 0.11 -1.99 -2.80 132.00 128.92 1dic h PRO 118 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1dic h PRO 118 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1dic h PRO 118 CO 0.00 0.15 -0.36 0.00 -0.21 0.00 0.00 178.00 177.58 1dic n ALA 119 N -2.44 3.31 -3.59 -0.75 0.00 -1.26 -4.71 120.51 111.06 1dic n ALA 119 Ca -0.02 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.55 1dic n ALA 119 Cb 0.23 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.66 1dic n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dic s VAL 120 N -2.40 -0.11 -0.19 0.00 1.01 -1.05 -4.12 120.40 113.55 1dic s VAL 120 Ca 0.21 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1dic s VAL 120 Cb 0.19 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 36.00 1dic s VAL 120 CO 0.52 -0.32 0.49 -0.60 0.00 0.00 0.00 175.10 175.18 1dic s ARG 121 N 2.15 0.53 0.75 2.72 6.06 -0.99 -0.88 118.95 129.29 1dic s ARG 121 Ca 0.03 0.77 -0.12 0.00 -2.50 0.00 0.00 55.73 53.90 1dic s ARG 121 Cb -0.16 0.17 0.05 0.00 0.06 0.00 0.00 34.95 35.07 1dic s ARG 121 CO -0.12 -0.10 1.12 -2.14 -2.50 0.00 0.00 175.30 171.55 1dic s PRO 122 N 0.74 2.23 -0.11 5.12 0.02 -1.26 -2.89 135.00 138.85 1dic s PRO 122 Ca -0.04 1.36 -0.00 0.00 0.02 0.00 0.00 61.00 62.33 1dic s PRO 122 Cb -0.05 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1dic s PRO 122 CO -0.05 -1.69 -0.09 -1.17 -0.33 0.00 0.00 177.00 173.67 1dic s LEU 123 N -5.61 2.99 0.40 -5.54 2.96 -0.44 -4.90 118.68 108.54 1dic s LEU 123 Ca 0.65 -0.17 -0.27 0.00 -0.22 0.00 0.00 54.13 54.13 1dic s LEU 123 Cb -0.20 -1.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.72 1dic s LEU 123 CO 0.51 0.24 1.36 -2.84 -1.32 0.00 0.00 176.35 174.30 1dic s PRO 124 N -0.09 3.98 0.19 0.98 0.02 -1.26 -4.69 135.00 134.13 1dic s PRO 124 Ca -0.00 2.28 0.09 0.00 0.02 0.00 0.00 61.00 63.39 1dic s PRO 124 Cb -0.13 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 1dic s PRO 124 CO 0.03 -0.53 -0.10 1.67 -0.33 0.00 0.00 177.00 177.75 1dic s TRP 124 N -1.21 2.61 -0.10 6.54 1.48 -1.26 -1.47 118.94 125.54 1dic s TRP 124 Ca 0.56 -0.23 -0.30 0.00 -1.06 0.00 0.00 56.10 55.07 1dic s TRP 124 Cb -0.41 -1.26 -0.03 0.00 -1.16 0.00 0.00 33.47 30.61 1dic s TRP 124 CO 0.53 0.53 1.31 -1.14 -4.06 0.00 0.00 176.95 174.12 1dic s GLN 125 N -2.92 4.27 -0.14 3.25 2.00 -0.14 -4.85 119.66 121.12 1dic s GLN 125 Ca 0.25 1.77 0.14 0.00 -2.00 0.00 0.00 55.36 55.53 1dic s GLN 125 Cb -0.08 -3.70 -0.20 0.00 0.80 0.00 0.00 33.01 29.82 1dic s GLN 125 CO 0.15 -0.63 0.09 0.54 -0.50 0.00 0.00 175.29 174.94 1dic n ARG 126 N 6.09 1.35 -2.44 1.67 1.74 -1.26 -2.90 116.66 120.91 1dic n ARG 126 Ca 0.13 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 1dic n ARG 126 Cb 0.45 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 1dic n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dic s VAL 127 N -2.46 4.29 -1.34 1.55 1.01 -1.26 -4.85 120.40 117.35 1dic s VAL 127 Ca -0.08 1.57 -0.17 0.00 0.00 0.00 0.00 61.98 63.31 1dic s VAL 127 Cb 0.05 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1dic s VAL 127 CO 0.65 -0.12 1.86 -0.67 0.00 0.00 0.00 175.10 176.82 1dic n ASP 128 N 6.41 4.68 -3.89 3.32 -0.08 -1.26 -4.87 116.55 120.86 1dic n ASP 128 Ca 0.13 -2.90 -0.14 0.00 -1.51 0.00 0.00 54.79 50.38 1dic n ASP 128 Cb 0.45 -1.72 -0.14 0.00 2.34 0.00 0.00 41.12 42.05 1dic n ASP 128 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1dic s ARG 129 N 3.89 0.14 0.39 -0.67 0.52 -1.26 -5.10 118.95 116.85 1dic s ARG 129 Ca 0.52 -0.04 -0.26 0.00 -0.52 0.00 0.00 55.73 55.42 1dic s ARG 129 Cb 0.06 -0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.29 1dic s ARG 129 CO 0.03 0.02 1.27 -0.51 0.02 0.00 0.00 175.30 176.13 1dic s ASP 129 N 0.07 6.46 0.35 0.23 1.01 -1.26 -5.00 116.67 118.54 1dic s ASP 129 Ca -0.00 2.59 -0.27 0.00 0.71 0.00 0.00 52.55 55.57 1dic s ASP 129 Cb -0.02 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 1dic s ASP 129 CO -0.00 -0.74 1.13 -0.69 0.21 0.00 0.00 175.17 175.08 1dic s VAL 130 N -1.27 3.34 0.32 -1.27 1.01 -1.26 -4.96 120.40 116.31 1dic s VAL 130 Ca 0.55 1.20 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 1dic s VAL 130 Cb -0.37 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 1dic s VAL 130 CO 0.47 0.17 1.56 0.00 0.00 0.00 0.00 175.10 177.31 1dic s ALA 131 N -1.35 3.70 0.42 5.51 0.00 -1.26 -4.92 121.76 123.85 1dic s ALA 131 Ca 0.52 1.57 -0.25 0.00 0.00 0.00 0.00 51.96 53.80 1dic s ALA 131 Cb -0.30 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.08 1dic s ALA 131 CO 0.38 -1.00 1.22 -2.30 0.00 0.00 0.00 175.76 174.06 1dic n PRO 132 N 1.69 1.82 0.00 0.00 -0.02 -1.26 -1.96 135.00 135.27 1dic n PRO 132 Ca 0.06 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1dic n PRO 132 Cb 0.38 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1dic n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dic n GLY 133 N 0.88 2.83 3.77 -1.23 0.00 0.05 -4.95 105.19 106.55 1dic n GLY 133 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1dic n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dic n THR 134 N -2.00 1.98 -3.40 2.61 -1.04 -0.83 -4.53 114.28 107.07 1dic n THR 134 Ca 0.00 -0.49 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 1dic n THR 134 Cb 0.00 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 66.49 1dic n THR 134 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1dic s LEU 135 N -1.94 4.12 0.15 -4.42 1.43 -1.26 -0.92 118.68 115.84 1dic s LEU 135 Ca 0.54 0.43 0.10 0.00 -1.03 0.00 0.00 54.13 54.16 1dic s LEU 135 Cb -0.48 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1dic s LEU 135 CO 0.63 -0.10 -0.18 0.00 0.23 0.00 0.00 176.35 176.93 1dic s ASP 137 N -2.41 5.86 -0.03 0.00 2.15 0.64 -0.61 116.67 122.27 1dic s ASP 137 Ca 0.20 0.13 0.06 0.00 0.43 0.00 0.00 52.55 53.37 1dic s ASP 137 Cb -0.10 -2.02 -0.01 0.00 -0.30 0.00 0.00 42.92 40.49 1dic s ASP 137 CO 0.11 0.17 -0.22 -0.69 -0.17 0.00 0.00 175.17 174.37 1dic s VAL 138 N 0.43 1.75 0.08 1.11 1.01 -0.89 -0.61 120.40 123.27 1dic s VAL 138 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1dic s VAL 138 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1dic s VAL 138 CO -0.00 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.50 1dic s ALA 139 N -0.32 0.93 0.00 5.51 0.00 -1.25 -1.45 121.76 125.19 1dic s ALA 139 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1dic s ALA 139 Cb -0.10 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1dic s ALA 139 CO 0.01 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1dic n GLY 140 N 0.83 0.37 1.25 0.00 0.00 -0.67 -4.56 105.19 102.42 1dic n GLY 140 Ca -0.18 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 44.99 1dic n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dic n TRP 141 N -0.09 1.38 -1.43 1.61 8.01 -1.26 -2.08 117.44 123.59 1dic n TRP 141 Ca 0.00 -1.14 -0.30 0.00 -1.31 0.00 0.00 57.50 54.76 1dic n TRP 141 Cb 0.00 -0.46 0.20 0.00 -2.01 0.00 0.00 31.31 29.04 1dic n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1dic s GLY 142 N -1.84 1.64 0.36 6.99 0.00 -1.24 -4.40 107.32 108.82 1dic s GLY 142 Ca 0.46 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 44.00 1dic s GLY 142 CO 0.08 -0.13 1.37 0.29 0.00 0.00 0.00 173.10 174.71 1dic n ILE 143 N -4.24 2.05 1.03 0.90 -5.35 0.02 -2.97 119.36 110.80 1dic n ILE 143 Ca 0.12 -0.50 0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1dic n ILE 143 Cb 0.59 -1.74 0.02 0.00 -1.74 0.00 0.00 39.64 36.77 1dic n ILE 143 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1dic n VAL 144 N 0.33 0.00 -3.94 7.28 0.24 0.19 -1.00 118.33 121.44 1dic n VAL 144 Ca 0.03 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1dic n VAL 144 Cb 0.37 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 1dic n VAL 144 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1dic s ASN 145 N -2.60 0.02 0.56 -1.34 2.20 -1.26 -4.54 114.94 107.98 1dic s ASN 145 Ca 0.17 -0.96 0.34 0.00 -0.94 0.00 0.00 52.86 51.47 1dic s ASN 145 Cb 0.18 0.68 1.61 0.00 -2.00 0.00 0.00 41.25 41.72 1dic s ASN 145 CO 0.63 -1.32 2.08 0.45 -2.94 0.00 0.00 177.10 176.00 1dic h HIS 146 N 2.12 0.00 0.00 1.54 3.86 -1.96 -2.54 115.15 118.17 1dic h HIS 146 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 1dic h HIS 146 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1dic h HIS 146 CO 0.73 0.04 0.00 0.00 0.86 0.00 0.00 177.93 179.57 1dic h ALA 147 N 1.96 1.00 0.00 2.45 0.00 -2.02 -3.46 119.26 119.19 1dic h ALA 147 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dic h ALA 147 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1dic h ALA 147 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1dic n GLY 149 N 0.22 1.12 3.73 0.00 0.00 -0.96 -5.06 105.19 104.24 1dic n GLY 149 Ca 0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1dic n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dic s ARG 150 N -0.80 4.36 -0.17 1.61 3.52 -1.26 -4.87 118.95 121.35 1dic s ARG 150 Ca 0.00 2.04 -0.06 0.00 -0.13 0.00 0.00 55.73 57.58 1dic s ARG 150 Cb 0.00 -3.23 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1dic s ARG 150 CO 0.00 -0.33 0.01 1.03 -0.81 0.00 0.00 175.30 175.21 1dic s ARG 151 N 0.47 3.81 0.55 5.12 0.52 -1.26 -0.63 118.95 127.52 1dic s ARG 151 Ca 0.60 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 55.22 1dic s ARG 151 Cb -0.36 -3.07 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 1dic s ARG 151 CO 0.34 0.24 1.00 -1.25 0.02 0.00 0.00 175.30 175.65 1dic s PRO 152 N 0.42 3.78 0.01 3.54 0.04 -1.26 -4.98 135.00 136.55 1dic s PRO 152 Ca -0.00 0.96 0.09 0.00 0.04 0.00 0.00 61.00 62.09 1dic s PRO 152 Cb -0.13 -2.11 -0.23 0.00 0.04 0.00 0.00 34.50 32.07 1dic s PRO 152 CO 0.02 -0.42 0.85 0.22 0.04 0.00 0.00 177.00 177.71 1dic h ASP 153 N 0.62 0.05 -2.31 6.66 3.58 -1.95 -3.48 116.42 119.60 1dic h ASP 153 Ca -0.46 -0.08 -0.55 0.00 0.42 0.00 0.00 57.03 56.36 1dic h ASP 153 Cb 1.19 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 42.14 1dic h ASP 153 CO 0.61 1.07 -0.61 -0.94 -2.88 0.00 0.00 179.24 176.49 1dic s SER 154 N -6.38 4.87 0.19 2.28 1.04 -1.26 -0.49 113.70 113.95 1dic s SER 154 Ca -0.04 -0.49 -0.32 0.00 0.48 0.00 0.00 55.95 55.59 1dic s SER 154 Cb 0.08 -1.04 -0.11 0.00 0.10 0.00 0.00 66.02 65.06 1dic s SER 154 CO 0.82 0.00 1.63 -0.22 0.98 0.00 0.00 173.24 176.46 1dic s LEU 155 N -3.60 4.37 0.35 2.42 2.96 -0.73 -4.85 118.68 119.59 1dic s LEU 155 Ca 0.31 2.73 0.08 0.00 -0.22 0.00 0.00 54.13 57.04 1dic s LEU 155 Cb -0.07 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1dic s LEU 155 CO 0.21 -0.88 0.17 -1.10 -1.32 0.00 0.00 176.35 173.42 1dic s GLN 156 N 1.04 2.39 0.20 1.98 -1.52 -0.88 -0.12 119.66 122.75 1dic s GLN 156 Ca 0.71 -1.55 -0.20 0.00 -1.95 0.00 0.00 55.36 52.37 1dic s GLN 156 Cb -0.46 -2.19 0.04 0.00 -0.22 0.00 0.00 33.01 30.18 1dic s GLN 156 CO 0.33 0.08 0.58 -3.38 -0.25 0.00 0.00 175.29 172.64 1dic s HIS 157 N -2.43 -0.25 -0.16 0.91 -3.43 -0.07 -1.66 115.29 108.19 1dic s HIS 157 Ca 0.39 -0.08 -0.22 0.00 -0.80 0.00 0.00 55.06 54.34 1dic s HIS 157 Cb -0.02 0.50 0.06 0.00 -1.43 0.00 0.00 32.58 31.68 1dic s HIS 157 CO 0.23 -0.96 0.58 0.54 -2.00 0.00 0.00 174.74 173.14 1dic s VAL 158 N -3.85 0.01 -0.17 -5.38 0.11 -0.53 -1.33 120.40 109.27 1dic s VAL 158 Ca 0.07 -0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 1dic s VAL 158 Cb -0.02 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1dic s VAL 158 CO -0.04 -0.03 0.33 -0.76 -3.33 0.00 0.00 175.10 171.27 1dic s LEU 159 N -0.24 4.22 -0.02 2.54 1.43 -1.26 -2.09 118.68 123.25 1dic s LEU 159 Ca -0.04 0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1dic s LEU 159 Cb -0.03 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1dic s LEU 159 CO 0.03 0.04 -0.16 -0.76 0.23 0.00 0.00 176.35 175.74 1dic s LEU 160 N 0.73 2.01 0.13 1.79 1.43 0.22 -4.92 118.68 120.07 1dic s LEU 160 Ca 0.18 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.74 1dic s LEU 160 Cb -0.14 -0.83 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 1dic s LEU 160 CO 0.06 0.19 0.77 -2.16 0.23 0.00 0.00 176.35 175.43 1dic s PRO 161 N -0.30 4.54 0.27 1.29 0.04 -1.26 -0.65 135.00 138.93 1dic s PRO 161 Ca 0.05 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1dic s PRO 161 Cb -0.07 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1dic s PRO 161 CO -0.00 0.49 1.07 0.08 0.04 0.00 0.00 177.00 178.68 1dic s VAL 162 N -0.83 3.60 0.02 -0.36 1.01 -0.09 -0.77 120.40 122.98 1dic s VAL 162 Ca 0.36 1.61 -0.13 0.00 0.00 0.00 0.00 61.98 63.82 1dic s VAL 162 Cb -0.22 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1dic s VAL 162 CO 0.25 0.38 0.40 -0.22 0.00 0.00 0.00 175.10 175.92 1dic s LEU 163 N -1.38 4.43 0.61 3.92 2.96 -0.46 -0.77 118.68 127.99 1dic s LEU 163 Ca 0.44 0.91 -0.19 0.00 -0.22 0.00 0.00 54.13 55.06 1dic s LEU 163 Cb -0.31 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 1dic s LEU 163 CO 0.39 0.28 1.26 1.51 -1.32 0.00 0.00 176.35 178.48 1dic s ASP 164 N -1.28 4.96 0.21 3.68 -4.77 -1.26 -4.56 116.67 113.64 1dic s ASP 164 Ca 0.26 2.54 -0.11 0.00 -3.30 0.00 0.00 52.55 51.95 1dic s ASP 164 Cb -0.16 -2.61 0.28 0.00 -1.09 0.00 0.00 42.92 39.34 1dic s ASP 164 CO 0.14 -1.76 1.69 -0.09 0.70 0.00 0.00 175.17 175.86 1dic h ARG 165 N 0.83 0.20 -0.35 2.11 2.43 -1.96 -2.84 114.38 114.80 1dic h ARG 165 Ca -0.51 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1dic h ARG 165 Cb 1.31 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1dic h ARG 165 CO 0.55 0.13 0.23 0.00 -1.51 0.00 0.00 179.97 179.36 1dic h ALA 166 N 1.49 0.44 -0.29 2.80 0.00 -2.00 -3.20 119.26 118.50 1dic h ALA 166 Ca 0.31 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1dic h ALA 166 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dic h ALA 166 CO -0.44 -0.10 0.20 1.15 0.00 0.00 0.00 179.25 180.06 1dic h THR 167 N 0.47 0.97 0.00 0.00 2.02 -1.87 -2.59 112.91 111.91 1dic h THR 167 Ca 0.13 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1dic h THR 167 Cb -0.05 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1dic h THR 167 CO -0.03 0.04 -0.43 0.00 0.37 0.00 0.00 175.52 175.48 1dic s ASN 169 N -6.51 6.52 -0.18 0.00 0.01 -0.98 -1.21 114.94 112.60 1dic s ASN 169 Ca 0.00 -1.52 -0.02 0.00 -0.71 0.00 0.00 52.86 50.61 1dic s ASN 169 Cb 0.11 -2.56 -0.22 0.00 0.41 0.00 0.00 41.25 38.99 1dic s ASN 169 CO 0.70 -1.47 0.13 -1.14 -1.51 0.00 0.00 177.10 173.81 1dic n ARG 170 N 8.72 0.71 0.00 -0.60 0.63 -1.26 -2.71 116.66 122.15 1dic n ARG 170 Ca 0.33 0.21 0.13 0.00 -0.92 0.00 0.00 57.85 57.60 1dic n ARG 170 Cb 0.51 -1.63 0.78 0.00 0.45 0.00 0.00 32.46 32.56 1dic n ARG 170 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1dic n THR 170 N -3.37 0.00 0.00 5.15 -2.24 -1.26 -4.43 114.28 108.13 1dic n THR 170 Ca -0.37 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1dic n THR 170 Cb 1.03 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1dic n THR 170 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1dic n HIS 171 N -1.00 0.00 -3.34 4.78 8.25 -1.26 -4.74 115.22 117.91 1dic n HIS 171 Ca 0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.27 1dic n HIS 171 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1dic n HIS 171 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1dic n HIS 172 N 0.00 3.76 -1.52 4.41 8.25 -0.35 -4.96 115.22 124.82 1dic n HIS 172 Ca 0.00 -3.60 -0.21 0.00 -0.26 0.00 0.00 57.72 53.65 1dic n HIS 172 Cb 0.00 -1.22 -0.18 0.00 1.12 0.00 0.00 29.99 29.71 1dic n HIS 172 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1dic n ASP 173 N 1.86 -0.39 0.00 0.41 -0.08 -1.24 -1.93 116.55 115.19 1dic n ASP 173 Ca 0.25 -0.78 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 1dic n ASP 173 Cb 0.37 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 42.94 1dic n ASP 173 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dic n GLY 174 N 5.93 0.43 0.24 0.27 0.00 -1.10 -4.84 105.19 106.12 1dic n GLY 174 Ca 0.61 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.80 1dic n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dic h ALA 175 N 0.00 1.00 -2.20 4.61 0.00 -1.72 -3.41 119.26 117.54 1dic h ALA 175 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1dic h ALA 175 Cb 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.65 1dic h ALA 175 CO 0.00 0.00 0.15 0.42 0.00 0.00 0.00 179.25 179.82 1dic s ILE 176 N -3.62 4.83 0.72 0.00 -1.09 -1.26 -5.06 121.20 115.73 1dic s ILE 176 Ca 0.01 0.25 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1dic s ILE 176 Cb 0.09 -4.19 0.14 0.00 -1.58 0.00 0.00 42.46 36.93 1dic s ILE 176 CO 0.47 -0.54 0.99 0.35 -1.23 0.00 0.00 174.94 174.98 1dic n THR 177 N 5.82 0.00 0.31 2.92 -2.24 -1.26 -4.95 114.28 114.88 1dic n THR 177 Ca -0.01 -1.52 0.13 0.00 -2.27 0.00 0.00 64.05 60.38 1dic n THR 177 Cb 0.48 -0.93 0.58 0.00 -2.10 0.00 0.00 70.33 68.37 1dic n THR 177 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1dic h GLU 178 N 0.00 0.00 -0.32 -0.78 4.39 -1.99 -1.79 114.58 114.08 1dic h GLU 178 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1dic h GLU 178 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1dic h GLU 178 CO 0.35 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.74 1dic n ARG 179 N -2.39 2.10 -4.37 2.33 1.74 -1.26 -4.91 116.66 109.91 1dic n ARG 179 Ca 0.01 -1.68 -0.26 0.00 -0.77 0.00 0.00 57.85 55.15 1dic n ARG 179 Cb 0.17 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 30.05 1dic n ARG 179 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1dic s LEU 180 N -1.42 2.37 0.08 0.55 1.43 -0.68 -0.97 118.68 120.05 1dic s LEU 180 Ca 0.35 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1dic s LEU 180 Cb 0.19 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1dic s LEU 180 CO 0.27 0.10 -0.06 0.00 0.23 0.00 0.00 176.35 176.89 1dic s MET 181 N -2.35 0.72 0.16 1.70 0.23 0.18 -4.73 119.30 115.21 1dic s MET 181 Ca 0.15 -1.20 0.08 0.00 -1.03 0.00 0.00 55.69 53.69 1dic s MET 181 Cb -0.09 -0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.05 1dic s MET 181 CO 0.07 -0.03 -0.18 0.00 -2.03 0.00 0.00 175.02 172.86 1dic s ALA 183 N -2.10 1.02 0.49 0.00 0.00 -0.97 -1.36 121.76 118.84 1dic s ALA 183 Ca 0.15 -0.93 -0.23 0.00 0.00 0.00 0.00 51.96 50.95 1dic s ALA 183 Cb -0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 1dic s ALA 183 CO 0.06 0.12 1.13 0.39 0.00 0.00 0.00 175.76 177.46 1dic n GLU 184 N 1.36 1.45 -1.19 0.00 1.02 0.05 -2.47 120.64 120.86 1dic n GLU 184 Ca -0.21 0.53 0.02 0.00 -0.02 0.00 0.00 57.16 57.47 1dic n GLU 184 Cb 0.54 -2.25 0.12 0.00 -0.02 0.00 0.00 31.44 29.83 1dic n GLU 184 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1dic n SER 185 N -0.14 1.80 -4.56 1.62 3.41 -1.26 -4.71 113.62 109.78 1dic n SER 185 Ca 0.10 -3.15 -0.39 0.00 -0.26 0.00 0.00 58.87 55.17 1dic n SER 185 Cb 0.42 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1dic n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1dic s ASN 186 N -2.91 6.21 0.00 4.04 2.47 -1.26 -2.79 114.94 120.70 1dic s ASN 186 Ca 0.37 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.65 1dic s ASN 186 Cb 0.38 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 1dic s ASN 186 CO -0.09 -1.77 0.00 0.54 -3.72 0.00 0.00 177.10 172.06 1dic n ARG 187 N 9.04 0.00 -4.63 0.43 1.74 -0.91 -4.93 116.66 117.40 1dic n ARG 187 Ca 0.25 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 1dic n ARG 187 Cb 0.50 -2.54 -0.16 0.00 -1.02 0.00 0.00 32.46 29.24 1dic n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1dic s ARG 188 N 0.00 1.69 0.08 5.56 0.52 -1.26 -3.69 118.95 121.85 1dic s ARG 188 Ca 0.00 -0.45 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 1dic s ARG 188 Cb 0.00 -1.41 0.09 0.00 0.52 0.00 0.00 34.95 34.14 1dic s ARG 188 CO 0.00 0.08 1.04 0.34 0.02 0.00 0.00 175.30 176.78 1dic s ASP 189 N 0.50 -0.17 0.24 0.23 -1.08 -0.69 -4.21 116.67 111.48 1dic s ASP 189 Ca -0.12 -0.27 -0.04 0.00 -0.52 0.00 0.00 52.55 51.61 1dic s ASP 189 Cb -0.14 0.38 -0.05 0.00 -1.46 0.00 0.00 42.92 41.65 1dic s ASP 189 CO 0.03 -0.69 0.48 -0.94 0.52 0.00 0.00 175.17 174.57 1dic s SER 190 N -2.85 6.45 0.00 -0.34 1.04 -1.26 -0.84 113.70 115.89 1dic s SER 190 Ca 0.12 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1dic s SER 190 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1dic s SER 190 CO -0.01 -0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.10 1dic n LYS 192 N 0.00 1.42 -0.02 0.00 4.81 -1.26 -0.96 118.16 122.14 1dic n LYS 192 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1dic n LYS 192 Cb 0.00 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1dic n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dic n GLY 193 N 3.18 0.71 0.00 3.14 0.00 -1.26 -0.80 105.19 110.16 1dic n GLY 193 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1dic n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dic n ASP 194 N 0.00 0.89 -4.77 1.61 8.00 -0.14 -3.68 116.55 118.46 1dic n ASP 194 Ca 0.00 -0.83 -0.41 0.00 0.71 0.00 0.00 54.79 54.25 1dic n ASP 194 Cb 0.00 0.90 -0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1dic n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1dic n SER 195 N -1.53 3.70 0.00 -2.24 7.64 -1.25 -2.33 113.62 117.61 1dic n SER 195 Ca 0.04 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1dic n SER 195 Cb 0.34 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.93 1dic n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dic n GLY 196 N 0.63 1.40 3.94 0.23 0.00 0.33 -0.98 105.19 110.74 1dic n GLY 196 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1dic n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dic s GLY 197 N -2.00 1.72 0.32 -0.02 0.00 -0.98 -3.33 107.32 103.02 1dic s GLY 197 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 44.72 43.43 1dic s GLY 197 CO 0.00 -0.53 0.79 2.56 0.00 0.00 0.00 173.10 175.92 1dic s PRO 198 N -5.52 4.16 -0.28 2.90 0.04 -1.26 -0.78 135.00 134.26 1dic s PRO 198 Ca 0.66 0.86 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1dic s PRO 198 Cb -0.07 -2.53 0.07 0.00 0.04 0.00 0.00 34.50 32.01 1dic s PRO 198 CO 0.48 0.19 -0.03 -1.17 0.04 0.00 0.00 177.00 176.52 1dic s LEU 199 N -2.68 3.41 -0.20 -3.56 1.98 -0.61 -3.76 118.68 113.26 1dic s LEU 199 Ca 0.52 -1.56 -0.06 0.00 -2.89 0.00 0.00 54.13 50.15 1dic s LEU 199 Cb -0.12 -1.38 -0.03 0.00 0.66 0.00 0.00 46.19 45.31 1dic s LEU 199 CO 0.18 -0.28 0.02 -0.69 -1.89 0.00 0.00 176.35 173.69 1dic s VAL 200 N 1.19 4.18 -0.14 1.68 1.01 0.22 -1.40 120.40 127.14 1dic s VAL 200 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1dic s VAL 200 Cb -0.19 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1dic s VAL 200 CO -0.08 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.29 1dic n GLY 202 N 4.57 -0.43 2.33 0.00 0.00 -1.26 -2.37 105.19 108.02 1dic n GLY 202 Ca -0.18 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 1dic n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dic n GLY 207 N -1.67 0.57 3.15 -0.02 0.00 -1.26 -5.01 105.19 100.95 1dic n GLY 207 Ca -0.05 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1dic n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dic s VAL 208 N -1.87 1.23 -0.10 1.61 1.01 -1.00 -4.70 120.40 116.58 1dic s VAL 208 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1dic s VAL 208 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1dic s VAL 208 CO 0.00 0.16 1.49 -0.22 0.00 0.00 0.00 175.10 176.53 1dic s LEU 209 N -0.86 4.26 -0.13 3.92 2.96 -0.54 -1.60 118.68 126.70 1dic s LEU 209 Ca 0.04 2.01 0.04 0.00 -0.22 0.00 0.00 54.13 56.00 1dic s LEU 209 Cb -0.07 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1dic s LEU 209 CO 0.01 -0.86 -0.07 -0.62 -1.32 0.00 0.00 176.35 173.49 1dic n GLU 210 N 6.92 1.00 -4.14 1.98 -0.58 -0.50 -0.97 120.64 124.36 1dic n GLU 210 Ca 0.16 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1dic n GLU 210 Cb 0.44 -1.28 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1dic n GLU 210 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1dic s GLY 211 N -4.99 1.29 -0.04 0.62 0.00 -0.91 -2.70 107.32 100.58 1dic s GLY 211 Ca -0.14 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.12 1dic s GLY 211 CO 0.36 -1.14 -0.12 0.14 0.00 0.00 0.00 173.10 172.34 1dic s VAL 212 N -3.90 1.03 -0.07 1.40 1.01 -0.78 -1.58 120.40 117.52 1dic s VAL 212 Ca 0.33 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1dic s VAL 212 Cb 0.03 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1dic s VAL 212 CO 0.14 0.32 1.91 -0.69 0.00 0.00 0.00 175.10 176.77 1dic s VAL 213 N 0.29 3.23 0.37 2.92 1.01 0.04 -0.66 120.40 127.61 1dic s VAL 213 Ca -0.06 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1dic s VAL 213 Cb -0.11 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1dic s VAL 213 CO 0.02 -0.06 1.23 -0.89 0.00 0.00 0.00 175.10 175.40 1dic s THR 214 N 5.30 2.93 0.89 3.92 2.01 -1.07 -0.51 115.64 129.11 1dic s THR 214 Ca 0.85 0.86 -0.13 0.00 0.31 0.00 0.00 61.69 63.58 1dic s THR 214 Cb -0.36 -3.51 0.13 0.00 0.01 0.00 0.00 72.50 68.77 1dic s THR 214 CO 0.36 0.14 1.17 -0.44 -0.69 0.00 0.00 174.62 175.17 1dic s SER 215 N -0.82 3.71 0.00 3.53 0.01 -1.26 -4.77 113.70 114.10 1dic s SER 215 Ca 0.53 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1dic s SER 215 Cb -0.35 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1dic s SER 215 CO 0.46 -2.41 0.00 0.61 0.41 0.00 0.00 173.24 172.31 1dic n GLY 216 N -2.72 3.59 3.71 3.44 0.00 -1.26 -4.93 105.19 107.02 1dic n GLY 216 Ca 0.08 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1dic n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dic s SER 217 N 0.00 6.66 -0.03 1.61 0.15 -1.26 -4.99 113.70 115.84 1dic s SER 217 Ca 0.00 2.50 -0.29 0.00 0.70 0.00 0.00 55.95 58.86 1dic s SER 217 Cb 0.00 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.82 1dic s SER 217 CO 0.00 -0.79 0.83 0.00 1.20 0.00 0.00 173.24 174.48 1dic s ARG 218 N 1.44 0.88 0.41 5.44 1.70 -1.26 -5.15 118.95 122.41 1dic s ARG 218 Ca 0.69 -0.10 -0.24 0.00 -0.47 0.00 0.00 55.73 55.61 1dic s ARG 218 Cb -0.41 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.30 1dic s ARG 218 CO 0.31 -0.34 1.12 0.14 -1.08 0.00 0.00 175.30 175.44 1dic s VAL 219 N -2.32 3.39 0.04 4.99 -7.23 -1.26 -4.93 120.40 113.07 1dic s VAL 219 Ca -0.01 1.10 0.05 0.00 -1.81 0.00 0.00 61.98 61.31 1dic s VAL 219 Cb -0.01 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1dic s VAL 219 CO -0.03 0.04 -0.08 0.00 -0.31 0.00 0.00 175.10 174.72 1dic n GLY 221 N 1.28 0.44 3.54 0.00 0.00 -1.26 -5.00 105.19 104.20 1dic n GLY 221 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1dic n GLY 221 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dic s ASN 222 N -2.10 6.20 0.64 1.61 3.84 -1.12 -2.14 114.94 121.87 1dic s ASN 222 Ca 0.00 -0.25 0.39 0.00 0.21 0.00 0.00 52.86 53.21 1dic s ASN 222 Cb 0.00 -2.21 2.21 0.00 -0.55 0.00 0.00 41.25 40.70 1dic s ASN 222 CO 0.00 -0.38 2.33 0.08 -2.79 0.00 0.00 177.10 176.34 1dic h ARG 223 N 8.49 0.00 0.00 0.43 0.11 -1.94 -1.65 114.38 119.82 1dic h ARG 223 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1dic h ARG 223 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1dic h ARG 223 CO 0.71 0.00 0.00 0.87 0.10 0.00 0.00 179.97 181.65 1dic h LYS 223 N 0.00 0.00 -2.92 0.08 6.56 -1.91 -3.39 116.57 115.00 1dic h LYS 223 Ca -0.00 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.98 1dic h LYS 223 Cb 0.01 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 31.26 1dic h LYS 223 CO 0.00 0.00 -0.70 0.15 -2.06 0.00 0.00 179.45 176.84 1dic s LYS 224 N -3.21 1.83 0.81 3.15 -0.14 -0.62 -4.15 119.74 117.41 1dic s LYS 224 Ca 0.08 -2.74 -0.14 0.00 -1.36 0.00 0.00 55.97 51.80 1dic s LYS 224 Cb 0.08 -2.73 0.02 0.00 -1.68 0.00 0.00 37.83 33.52 1dic s LYS 224 CO 0.62 -1.27 0.73 -2.30 -0.76 0.00 0.00 175.35 172.36 1dic n PRO 225 N 2.57 0.12 -2.51 -1.68 -0.02 -1.26 -4.66 135.00 127.57 1dic n PRO 225 Ca 0.19 0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1dic n PRO 225 Cb 0.38 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1dic n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1dic s GLY 226 N -1.82 2.52 -0.07 -1.23 0.00 -1.03 -4.90 107.32 100.79 1dic s GLY 226 Ca 0.66 0.63 0.05 0.00 0.00 0.00 0.00 44.72 46.06 1dic s GLY 226 CO 0.58 0.95 -0.21 -0.42 0.00 0.00 0.00 173.10 174.00 1dic s ILE 227 N -1.96 2.37 -0.01 0.90 1.01 -1.26 -2.29 121.20 119.95 1dic s ILE 227 Ca 0.68 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1dic s ILE 227 Cb -0.17 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1dic s ILE 227 CO 0.21 0.57 -0.14 -0.31 0.00 0.00 0.00 174.94 175.26 1dic s TYR 228 N -0.12 1.27 -0.14 3.97 1.51 -0.02 -2.59 117.35 121.23 1dic s TYR 228 Ca -0.04 -0.25 -0.27 0.00 -1.01 0.00 0.00 57.07 55.50 1dic s TYR 228 Cb -0.14 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1dic s TYR 228 CO 0.04 -0.02 0.91 0.99 -1.11 0.00 0.00 175.55 176.36 1dic s THR 229 N -0.38 4.84 -0.14 -0.71 2.01 0.17 -0.65 115.64 120.79 1dic s THR 229 Ca 0.05 1.82 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 1dic s THR 229 Cb -0.06 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1dic s THR 229 CO -0.00 0.02 1.23 -0.13 -0.69 0.00 0.00 174.62 175.04 1dic s ARG 230 N 2.08 4.27 0.36 4.92 0.52 -0.15 -1.86 118.95 129.09 1dic s ARG 230 Ca 0.43 1.64 0.18 0.00 -0.52 0.00 0.00 55.73 57.46 1dic s ARG 230 Cb -0.17 -3.69 0.63 0.00 0.52 0.00 0.00 34.95 32.23 1dic s ARG 230 CO 0.15 -0.62 1.71 -0.39 0.02 0.00 0.00 175.30 176.17 1dic h VAL 231 N 5.34 0.93 -0.36 3.52 -1.51 -1.82 -3.11 116.25 119.23 1dic h VAL 231 Ca -0.28 -1.60 -0.01 0.00 -1.23 0.00 0.00 66.70 63.58 1dic h VAL 231 Cb 1.12 1.96 -0.02 0.00 -2.13 0.00 0.00 31.29 32.22 1dic h VAL 231 CO 0.94 0.39 0.19 0.00 -1.23 0.00 0.00 177.57 177.87 1dic h ALA 232 N 1.60 1.67 0.00 5.19 0.00 -1.77 -0.64 119.26 125.31 1dic h ALA 232 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dic h ALA 232 Cb 0.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1dic h ALA 232 CO 0.05 0.28 0.00 0.77 0.00 0.00 0.00 179.25 180.35 1dic h SER 233 N 0.49 0.00 -0.09 0.00 0.02 -1.85 -2.74 113.55 109.39 1dic h SER 233 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1dic h SER 233 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1dic h SER 233 CO -0.02 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.45 1dic n TYR 234 N -2.58 0.26 -0.35 3.45 4.01 -0.27 -4.75 117.16 116.93 1dic n TYR 234 Ca 0.00 -0.85 0.10 0.00 -0.16 0.00 0.00 57.90 56.99 1dic n TYR 234 Cb 0.19 -0.16 0.28 0.00 -0.31 0.00 0.00 39.34 39.34 1dic n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dic h ALA 235 N 0.57 1.55 -0.45 -0.72 0.00 -1.21 -0.79 119.26 118.21 1dic h ALA 235 Ca 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1dic h ALA 235 Cb 1.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1dic h ALA 235 CO 0.05 0.03 -0.18 0.00 0.00 0.00 0.00 179.25 179.15 1dic h ALA 236 N 1.60 0.83 -0.24 0.00 0.00 -1.85 -1.10 119.26 118.50 1dic h ALA 236 Ca 0.53 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1dic h ALA 236 Cb 0.73 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dic h ALA 236 CO -0.34 0.65 -0.29 2.35 0.00 0.00 0.00 179.25 181.61 1dic h TRP 237 N 0.77 0.75 0.01 0.00 7.01 -1.61 -2.38 115.95 120.50 1dic h TRP 237 Ca 0.11 -0.24 -0.00 0.00 2.11 0.00 0.00 58.89 60.87 1dic h TRP 237 Cb 0.71 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1dic h TRP 237 CO 0.04 0.96 -0.01 0.82 -2.79 0.00 0.00 178.44 177.47 1dic h ILE 238 N 0.32 1.05 -0.93 2.65 2.04 -1.12 -1.78 117.51 119.74 1dic h ILE 238 Ca 0.03 -0.17 0.16 0.00 1.00 0.00 0.00 64.86 65.87 1dic h ILE 238 Cb 0.86 1.16 -0.10 0.00 -0.74 0.00 0.00 36.82 38.01 1dic h ILE 238 CO 0.07 0.04 0.53 0.44 0.00 0.00 0.00 178.15 179.23 1dic h ASP 239 N -0.09 0.69 -0.01 1.72 3.32 -1.23 -1.32 116.42 119.50 1dic h ASP 239 Ca -0.00 0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1dic h ASP 239 Cb 0.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1dic h ASP 239 CO 0.00 0.29 -0.45 0.77 -1.72 0.00 0.00 179.24 178.13 1dic h SER 240 N 0.74 0.59 0.03 6.45 4.64 -1.00 -2.27 113.55 122.73 1dic h SER 240 Ca 0.51 -0.28 -0.19 0.00 -0.47 0.00 0.00 61.79 61.35 1dic h SER 240 Cb 0.70 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1dic h SER 240 CO -0.35 0.96 -0.70 0.58 -0.87 0.00 0.00 176.83 176.45 1dic h VAL 241 N 0.44 1.32 0.00 0.95 2.07 -0.59 -3.23 116.25 117.21 1dic h VAL 241 Ca 0.03 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 1dic h VAL 241 Cb 0.97 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1dic h VAL 241 CO 0.09 0.62 -0.07 -0.07 0.02 0.00 0.00 177.57 178.15 1dic h LEU 242 N 0.43 0.00 0.00 2.57 3.38 -1.24 -3.52 115.31 116.93 1dic h LEU 242 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dic h LEU 242 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1dic h LEU 242 CO 0.13 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.73