#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddm n SER 9 N 0.00 -0.29 -4.79 0.00 3.41 -1.26 -4.94 113.62 105.75 3ddm n SER 9 Ca 0.00 0.46 -0.36 0.00 -0.26 0.00 0.00 58.87 58.71 3ddm n SER 9 Cb 0.00 -1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 62.49 3ddm n SER 9 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ddm s ILE 10 N -2.34 5.43 -0.46 -1.33 -1.09 -0.09 -4.95 121.20 116.37 3ddm s ILE 10 Ca 0.66 0.24 0.05 0.00 -2.23 0.00 0.00 60.65 59.37 3ddm s ILE 10 Cb -0.26 -3.46 0.18 0.00 -1.58 0.00 0.00 42.46 37.35 3ddm s ILE 10 CO 0.58 0.50 0.41 0.41 -1.23 0.00 0.00 174.94 175.62 3ddm n THR 11 N 2.93 -0.55 -1.54 2.92 -1.04 -1.26 -0.76 114.28 114.98 3ddm n THR 11 Ca -0.17 -3.81 -0.43 0.00 -2.04 0.00 0.00 64.05 57.60 3ddm n THR 11 Cb 0.53 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 3ddm n THR 11 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ddm n PRO 12 N 2.41 0.99 0.00 -2.82 -0.02 -1.26 -1.99 135.00 132.31 3ddm n PRO 12 Ca 0.27 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3ddm n PRO 12 Cb 0.46 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3ddm n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddm n ALA 13 N -0.43 1.90 -3.35 3.55 0.00 0.06 -4.51 120.51 117.74 3ddm n ALA 13 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 3ddm n ALA 13 Cb 0.37 0.25 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 3ddm n ALA 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ddm s ARG 14 N -1.56 0.01 -0.16 0.00 3.52 -1.16 -4.95 118.95 114.65 3ddm s ARG 14 Ca 0.00 0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.71 3ddm s ARG 14 Cb 0.00 -0.12 0.05 0.00 -1.56 0.00 0.00 34.95 33.32 3ddm s ARG 14 CO 0.00 -0.09 0.01 0.08 -0.81 0.00 0.00 175.30 174.49 3ddm s VAL 15 N 0.58 0.59 0.12 7.11 1.01 -1.26 -0.40 120.40 128.14 3ddm s VAL 15 Ca -0.05 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 61.61 3ddm s VAL 15 Cb -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3ddm s VAL 15 CO -0.02 -0.05 -0.26 -0.13 0.00 0.00 0.00 175.10 174.64 3ddm s ARG 16 N 1.84 1.41 -0.05 2.72 0.52 -0.96 -4.76 118.95 119.67 3ddm s ARG 16 Ca 0.01 -1.30 0.06 0.00 -0.52 0.00 0.00 55.73 53.97 3ddm s ARG 16 Cb -0.16 -1.85 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 3ddm s ARG 16 CO -0.07 0.44 -0.24 0.00 0.02 0.00 0.00 175.30 175.45 3ddm s ALA 17 N -1.04 2.08 -0.08 2.13 0.00 -1.26 -1.68 121.76 121.90 3ddm s ALA 17 Ca 0.13 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3ddm s ALA 17 Cb -0.10 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 3ddm s ALA 17 CO 0.05 0.40 -0.22 -1.01 0.00 0.00 0.00 175.76 174.99 3ddm s HIS 18 N -0.15 2.26 -0.04 0.00 0.09 0.01 -4.98 115.29 112.47 3ddm s HIS 18 Ca -0.03 -0.84 -0.01 0.00 -0.00 0.00 0.00 55.06 54.18 3ddm s HIS 18 Cb -0.13 -1.52 -0.04 0.00 -0.00 0.00 0.00 32.58 30.89 3ddm s HIS 18 CO 0.03 -0.33 0.05 0.08 -0.00 0.00 0.00 174.74 174.58 3ddm s VAL 19 N 0.26 4.60 0.01 -0.90 1.01 -1.26 -1.24 120.40 122.87 3ddm s VAL 19 Ca -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3ddm s VAL 19 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3ddm s VAL 19 CO 0.06 0.46 -0.04 -0.36 0.00 0.00 0.00 175.10 175.22 3ddm s PHE 20 N -1.07 0.38 -0.22 5.22 0.40 -0.37 -5.00 117.98 117.32 3ddm s PHE 20 Ca 0.19 -0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.28 3ddm s PHE 20 Cb -0.12 -0.24 0.08 0.00 0.51 0.00 0.00 43.02 43.25 3ddm s PHE 20 CO 0.09 -0.04 0.10 1.03 0.70 0.00 0.00 175.22 177.10 3ddm s ARG 21 N -0.51 0.20 -0.33 0.44 0.52 -1.26 -0.89 118.95 117.11 3ddm s ARG 21 Ca -0.03 -0.33 -0.22 0.00 -0.52 0.00 0.00 55.73 54.64 3ddm s ARG 21 Cb -0.04 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.81 3ddm s ARG 21 CO -0.00 -0.81 0.73 -0.47 0.02 0.00 0.00 175.30 174.77 3ddm s TYR 22 N 2.07 3.17 0.04 -0.53 5.04 0.07 -4.89 117.35 122.32 3ddm s TYR 22 Ca 0.05 0.63 -0.30 0.00 -2.44 0.00 0.00 57.07 55.00 3ddm s TYR 22 Cb -0.16 -3.21 -0.06 0.00 0.35 0.00 0.00 41.96 38.88 3ddm s TYR 22 CO -0.20 -0.60 1.32 -1.25 -1.34 0.00 0.00 175.55 173.48 3ddm s PRO 23 N 2.89 4.34 0.00 4.97 0.04 -1.26 -0.84 135.00 145.14 3ddm s PRO 23 Ca 0.29 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3ddm s PRO 23 Cb -0.14 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3ddm s PRO 23 CO 0.14 -0.44 0.00 1.55 0.04 0.00 0.00 177.00 178.29 3ddm n VAL 24 N 4.29 0.00 -0.30 -0.36 3.14 -1.26 -4.95 118.33 118.89 3ddm n VAL 24 Ca 0.11 0.27 -0.00 0.00 -2.96 0.00 0.00 64.34 61.76 3ddm n VAL 24 Cb 0.44 -1.24 0.13 0.00 -1.06 0.00 0.00 33.84 32.12 3ddm n VAL 24 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 3ddm h HIS 36 N 0.00 0.94 -1.79 1.45 -0.00 -2.02 -3.53 115.15 110.20 3ddm h HIS 36 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 3ddm h HIS 36 Cb 0.00 -0.30 -0.21 0.00 -0.00 0.00 0.00 27.41 26.90 3ddm h HIS 36 CO 0.00 0.48 0.37 0.16 -0.00 0.00 0.00 177.93 178.95 3ddm s ASP 37 N -5.76 -0.51 -0.29 2.45 -4.77 -1.26 -5.06 116.67 101.47 3ddm s ASP 37 Ca -0.13 0.55 -0.19 0.00 -3.30 0.00 0.00 52.55 49.48 3ddm s ASP 37 Cb 0.18 0.42 -0.02 0.00 -1.09 0.00 0.00 42.92 42.41 3ddm s ASP 37 CO 0.79 -0.48 0.56 -0.13 0.70 0.00 0.00 175.17 176.61 3ddm s ARG 38 N -1.19 3.93 0.51 2.11 1.81 -0.02 -4.88 118.95 121.23 3ddm s ARG 38 Ca -0.06 0.24 0.00 0.00 -1.72 0.00 0.00 55.73 54.19 3ddm s ARG 38 Cb -0.00 -3.71 0.02 0.00 -0.45 0.00 0.00 34.95 30.81 3ddm s ARG 38 CO 0.05 -0.49 0.74 -1.25 -0.68 0.00 0.00 175.30 173.68 3ddm s PRO 39 N 2.45 2.79 -0.18 3.54 0.04 -1.26 -0.75 135.00 141.63 3ddm s PRO 39 Ca 0.23 -0.59 -0.29 0.00 0.04 0.00 0.00 61.00 60.39 3ddm s PRO 39 Cb -0.15 -2.50 0.11 0.00 0.04 0.00 0.00 34.50 32.00 3ddm s PRO 39 CO 0.11 -0.53 0.93 0.00 0.04 0.00 0.00 177.00 177.55 3ddm s ALA 40 N -2.70 -1.90 -0.20 8.56 0.00 -0.07 -4.71 121.76 120.73 3ddm s ALA 40 Ca 0.53 1.65 -0.02 0.00 0.00 0.00 0.00 51.96 54.12 3ddm s ALA 40 Cb -0.10 -0.81 0.06 0.00 0.00 0.00 0.00 23.12 22.27 3ddm s ALA 40 CO 0.39 -0.30 0.03 0.08 0.00 0.00 0.00 175.76 175.96 3ddm s VAL 41 N -0.65 0.62 -0.11 0.00 1.01 -1.26 -1.23 120.40 118.78 3ddm s VAL 41 Ca -0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3ddm s VAL 41 Cb -0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3ddm s VAL 41 CO 0.01 -0.22 0.11 -0.76 0.00 0.00 0.00 175.10 174.24 3ddm s LEU 42 N 1.81 4.20 0.02 3.92 1.43 -0.37 -1.21 118.68 128.48 3ddm s LEU 42 Ca -0.01 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 3ddm s LEU 42 Cb -0.17 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3ddm s LEU 42 CO -0.09 0.40 -0.23 0.68 0.23 0.00 0.00 176.35 177.34 3ddm s VAL 43 N -1.01 1.83 -0.11 -1.59 -7.23 0.22 -0.81 120.40 111.70 3ddm s VAL 43 Ca 0.15 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3ddm s VAL 43 Cb -0.12 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.29 3ddm s VAL 43 CO 0.04 0.36 -0.09 -1.83 -0.31 0.00 0.00 175.10 173.27 3ddm s GLU 44 N -0.94 1.65 -0.26 4.82 -1.05 -0.68 -0.29 118.70 121.96 3ddm s GLU 44 Ca 0.09 -0.32 -0.08 0.00 -0.15 0.00 0.00 54.97 54.51 3ddm s GLU 44 Cb -0.09 -1.62 -0.03 0.00 -0.44 0.00 0.00 34.13 31.94 3ddm s GLU 44 CO 0.01 -0.22 0.10 0.08 0.95 0.00 0.00 175.26 176.18 3ddm s VAL 45 N 1.52 4.58 -0.13 1.83 1.01 -0.18 -2.25 120.40 126.78 3ddm s VAL 45 Ca 0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3ddm s VAL 45 Cb -0.13 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 3ddm s VAL 45 CO -0.07 0.32 0.34 -0.70 0.00 0.00 0.00 175.10 174.99 3ddm s GLU 46 N 1.65 4.21 0.94 2.72 2.12 0.46 -1.53 118.70 129.27 3ddm s GLU 46 Ca 0.07 0.20 -0.12 0.00 0.36 0.00 0.00 54.97 55.48 3ddm s GLU 46 Cb -0.15 -3.40 0.16 0.00 0.26 0.00 0.00 34.13 31.00 3ddm s GLU 46 CO 0.06 0.29 1.11 0.34 -0.54 0.00 0.00 175.26 176.51 3ddm s ASP 47 N 0.28 3.16 0.35 -1.70 3.68 0.40 -0.76 116.67 122.07 3ddm s ASP 47 Ca 0.19 1.18 0.27 0.00 2.13 0.00 0.00 52.55 56.32 3ddm s ASP 47 Cb -0.14 -1.83 0.92 0.00 -1.45 0.00 0.00 42.92 40.42 3ddm s ASP 47 CO 0.06 -2.80 1.78 0.77 0.13 0.00 0.00 175.17 175.11 3ddm h SER 48 N -1.66 0.00 -0.12 -0.34 4.64 -1.70 -2.35 113.55 112.01 3ddm h SER 48 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3ddm h SER 48 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3ddm h SER 48 CO 0.58 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.01 3ddm n ASP 49 N -2.60 2.77 0.00 4.97 8.00 -1.26 -4.93 116.55 123.49 3ddm n ASP 49 Ca 0.03 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3ddm n ASP 49 Cb 0.35 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3ddm n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddm n GLY 50 N 1.34 0.63 3.76 0.44 0.00 -0.89 -5.05 105.19 105.43 3ddm n GLY 50 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3ddm n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm s ALA 51 N -2.27 2.93 0.01 4.61 0.00 -1.26 -4.60 121.76 121.19 3ddm s ALA 51 Ca 0.00 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.16 3ddm s ALA 51 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3ddm s ALA 51 CO 0.00 -0.97 -0.25 0.08 0.00 0.00 0.00 175.76 174.62 3ddm s VAL 52 N -1.43 1.99 0.01 0.00 1.01 -1.26 0.15 120.40 120.88 3ddm s VAL 52 Ca 0.67 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3ddm s VAL 52 Cb -0.34 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3ddm s VAL 52 CO 0.41 0.44 -0.13 -0.83 0.00 0.00 0.00 175.10 174.99 3ddm s GLY 53 N -0.92 0.67 0.09 4.51 0.00 -0.58 -4.54 107.32 106.55 3ddm s GLY 53 Ca 0.10 -0.65 0.08 0.00 0.00 0.00 0.00 44.72 44.25 3ddm s GLY 53 CO 0.01 -0.59 -0.15 -0.98 0.00 0.00 0.00 173.10 171.39 3ddm s TRP 54 N -0.53 2.62 0.32 1.90 0.52 -1.26 -1.01 118.94 121.51 3ddm s TRP 54 Ca 0.03 -0.22 -0.06 0.00 0.02 0.00 0.00 56.10 55.88 3ddm s TRP 54 Cb -0.06 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 3ddm s TRP 54 CO 0.00 0.36 0.50 0.20 0.02 0.00 0.00 176.95 178.03 3ddm s GLY 55 N -1.94 1.18 0.01 0.98 0.00 0.60 -3.34 107.32 104.82 3ddm s GLY 55 Ca 0.18 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.61 3ddm s GLY 55 CO 0.10 -0.86 -0.08 1.85 0.00 0.00 0.00 173.10 174.10 3ddm s GLU 56 N -3.20 0.64 -0.24 2.90 2.12 -1.26 -0.61 118.70 119.05 3ddm s GLU 56 Ca 0.28 -0.39 -0.05 0.00 0.36 0.00 0.00 54.97 55.17 3ddm s GLU 56 Cb -0.01 -0.59 -0.01 0.00 0.26 0.00 0.00 34.13 33.78 3ddm s GLU 56 CO 0.17 0.16 -0.01 0.08 -0.54 0.00 0.00 175.26 175.11 3ddm s VAL 57 N -0.40 3.54 0.22 3.70 1.01 -0.35 -3.60 120.40 124.52 3ddm s VAL 57 Ca 0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3ddm s VAL 57 Cb -0.04 -2.67 -0.15 0.00 0.00 0.00 0.00 36.38 33.52 3ddm s VAL 57 CO -0.00 0.35 1.01 1.87 0.00 0.00 0.00 175.10 178.33 3ddm n TRP 58 N 4.81 1.04 -2.04 5.22 -0.00 -0.94 -4.25 117.44 121.27 3ddm n TRP 58 Ca -0.17 0.74 -0.06 0.00 -0.00 0.00 0.00 57.50 58.00 3ddm n TRP 58 Cb 0.50 -2.22 -0.04 0.00 -0.00 0.00 0.00 31.31 29.55 3ddm n TRP 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3ddm h ASN 60 N 0.11 0.74 -4.30 0.00 2.35 -1.90 -3.41 115.58 109.16 3ddm h ASN 60 Ca -0.52 -0.18 -0.50 0.00 -0.55 0.00 0.00 56.30 54.55 3ddm h ASN 60 Cb 1.34 -0.19 -0.23 0.00 0.05 0.00 0.00 38.32 39.28 3ddm h ASN 60 CO -0.26 0.72 -0.81 -0.36 -1.65 0.00 0.00 177.43 175.07 3ddm s PHE 61 N -5.49 1.54 0.98 1.19 0.40 -1.26 -4.05 117.98 111.29 3ddm s PHE 61 Ca -0.13 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.66 3ddm s PHE 61 Cb 0.12 -0.88 0.18 0.00 0.51 0.00 0.00 43.02 42.95 3ddm s PHE 61 CO 0.78 0.11 1.15 -1.25 0.70 0.00 0.00 175.22 176.71 3ddm s PRO 62 N -1.52 0.57 0.49 0.24 0.04 -1.26 -4.80 135.00 128.76 3ddm s PRO 62 Ca 0.04 0.16 0.19 0.00 0.04 0.00 0.00 61.00 61.43 3ddm s PRO 62 Cb -0.09 -1.79 1.24 0.00 0.04 0.00 0.00 34.50 33.90 3ddm s PRO 62 CO 0.03 -2.56 2.02 0.00 0.04 0.00 0.00 177.00 176.53 3ddm h ALA 63 N -1.75 2.22 -0.02 8.56 0.00 -1.90 -1.82 119.26 124.55 3ddm h ALA 63 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ddm h ALA 63 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ddm h ALA 63 CO 0.54 -0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.38 3ddm n GLY 65 N 1.24 -1.10 0.17 0.00 0.00 -0.68 -4.11 105.19 100.71 3ddm n GLY 65 Ca 0.17 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 3ddm n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm h ALA 66 N 2.37 0.46 -0.43 4.61 0.00 -1.79 -2.89 119.26 121.59 3ddm h ALA 66 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ddm h ALA 66 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ddm h ALA 66 CO 0.00 -0.01 0.24 0.93 0.00 0.00 0.00 179.25 180.41 3ddm h GLU 67 N 0.46 0.59 -0.81 0.00 3.07 -1.96 -2.13 114.58 113.80 3ddm h GLU 67 Ca 0.13 -0.07 0.06 0.00 -0.50 0.00 0.00 59.36 58.98 3ddm h GLU 67 Cb 0.06 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 27.79 3ddm h GLU 67 CO -0.02 0.47 0.50 1.25 -1.40 0.00 0.00 179.01 179.80 3ddm h HIS 68 N 0.56 0.92 -0.55 4.33 2.76 -1.79 0.27 115.15 121.64 3ddm h HIS 68 Ca 0.15 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 3ddm h HIS 68 Cb 0.04 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 3ddm h HIS 68 CO -0.02 0.46 -0.04 0.00 -1.30 0.00 0.00 177.93 177.02 3ddm h ARG 69 N 0.91 0.99 -0.50 5.26 3.08 -1.28 0.26 114.38 123.10 3ddm h ARG 69 Ca 0.36 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3ddm h ARG 69 Cb 0.17 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3ddm h ARG 69 CO -0.17 1.00 -0.13 0.00 -1.07 0.00 0.00 179.97 179.60 3ddm h ALA 70 N 1.04 0.82 -0.49 0.04 0.00 -0.80 -2.21 119.26 117.66 3ddm h ALA 70 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ddm h ALA 70 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ddm h ALA 70 CO 0.04 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.18 3ddm h ARG 71 N 0.85 0.70 -0.73 0.00 2.47 -0.53 -2.06 114.38 115.07 3ddm h ARG 71 Ca 0.13 -0.10 0.08 0.00 -1.26 0.00 0.00 59.98 58.84 3ddm h ARG 71 Cb 0.67 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.80 3ddm h ARG 71 CO 0.05 0.58 0.39 -0.07 0.56 0.00 0.00 179.97 181.48 3ddm h LEU 72 N 0.64 0.55 -0.44 3.04 3.38 -0.67 0.41 115.31 122.22 3ddm h LEU 72 Ca 0.17 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3ddm h LEU 72 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3ddm h LEU 72 CO -0.02 0.32 0.21 0.58 0.09 0.00 0.00 178.44 179.63 3ddm h VAL 73 N 0.68 1.18 0.12 1.22 2.07 -1.00 -0.00 116.25 120.51 3ddm h VAL 73 Ca 0.35 -0.50 -0.27 0.00 0.82 0.00 0.00 66.70 67.09 3ddm h VAL 73 Cb 0.31 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3ddm h VAL 73 CO -0.24 0.19 -1.26 -0.33 0.02 0.00 0.00 177.57 175.96 3ddm h GLU 74 N 0.56 0.25 0.00 1.57 5.08 -0.84 0.15 114.58 121.37 3ddm h GLU 74 Ca 0.15 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3ddm h GLU 74 Cb 0.11 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ddm h GLU 74 CO -0.02 1.20 -1.47 0.25 -1.00 0.00 0.00 179.01 177.96 3ddm n THR 75 N -3.51 0.39 -0.01 1.13 -2.24 0.14 -4.40 114.28 105.77 3ddm n THR 75 Ca -0.09 -0.54 -0.03 0.00 -2.27 0.00 0.00 64.05 61.13 3ddm n THR 75 Cb 1.02 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 3ddm n THR 75 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ddm n VAL 76 N -2.51 0.14 0.11 2.28 0.31 -0.08 -4.78 118.33 113.80 3ddm n VAL 76 Ca -0.03 -0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 3ddm n VAL 76 Cb 0.58 -1.48 -0.14 0.00 -0.91 0.00 0.00 33.84 31.89 3ddm n VAL 76 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ddm h LEU 77 N -0.09 0.48 -0.02 7.52 3.38 -1.41 -3.33 115.31 121.85 3ddm h LEU 77 Ca -0.07 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.40 3ddm h LEU 77 Cb 1.06 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 3ddm h LEU 77 CO -0.04 1.42 -0.19 0.00 0.09 0.00 0.00 178.44 179.73 3ddm h ALA 78 N 0.51 -0.22 -0.65 1.53 0.00 -0.89 -0.95 119.26 118.58 3ddm h ALA 78 Ca -0.16 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3ddm h ALA 78 Cb 2.01 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 20.07 3ddm h ALA 78 CO 0.21 -0.68 0.34 -1.35 0.00 0.00 0.00 179.25 177.77 3ddm h PRO 79 N -0.29 0.60 0.08 0.00 0.11 -1.80 0.16 132.00 130.85 3ddm h PRO 79 Ca 0.06 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3ddm h PRO 79 Cb 0.38 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3ddm h PRO 79 CO -0.19 0.40 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.88 3ddm h LEU 80 N 0.62 -0.13 -0.68 2.35 3.38 -1.60 -3.09 115.31 116.16 3ddm h LEU 80 Ca 0.30 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.31 3ddm h LEU 80 Cb 0.23 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3ddm h LEU 80 CO -0.21 -0.08 0.42 0.25 0.09 0.00 0.00 178.44 178.91 3ddm h LEU 81 N -0.13 0.67 -3.04 1.67 5.85 -0.44 -3.10 115.31 116.80 3ddm h LEU 81 Ca -0.00 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 3ddm h LEU 81 Cb 0.11 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 40.86 3ddm h LEU 81 CO 0.00 0.46 0.32 0.35 -0.34 0.00 0.00 178.44 179.23 3ddm n THR 82 N -4.70 2.16 0.11 1.05 -2.24 0.50 -4.07 114.28 107.09 3ddm n THR 82 Ca 0.07 -1.05 0.01 0.00 -2.27 0.00 0.00 64.05 60.82 3ddm n THR 82 Cb 0.10 -0.65 -0.00 0.00 -2.10 0.00 0.00 70.33 67.69 3ddm n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddm n ALA 83 N -0.32 2.41 -3.87 6.98 0.00 -1.17 -4.92 120.51 119.63 3ddm n ALA 83 Ca 0.31 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ddm n ALA 83 Cb 1.11 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 20.49 3ddm n ALA 83 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3ddm n ARG 84 N -0.40 1.01 -3.81 0.00 1.85 -1.26 -5.14 116.66 108.90 3ddm n ARG 84 Ca 0.01 -2.40 -0.22 0.00 -1.00 0.00 0.00 57.85 54.24 3ddm n ARG 84 Cb 0.05 2.76 -0.04 0.00 -1.05 0.00 0.00 32.46 34.18 3ddm n ARG 84 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ddm s ALA 85 N -2.29 3.82 -0.01 2.89 0.00 -1.26 -4.51 121.76 120.40 3ddm s ALA 85 Ca 0.20 -1.81 -0.00 0.00 0.00 0.00 0.00 51.96 50.35 3ddm s ALA 85 Cb -0.04 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3ddm s ALA 85 CO 0.15 -0.08 0.03 -0.06 0.00 0.00 0.00 175.76 175.79 3ddm s PHE 86 N -2.41 -0.01 0.30 0.00 0.40 0.06 -5.00 117.98 111.32 3ddm s PHE 86 Ca 0.43 0.10 0.05 0.00 -0.60 0.00 0.00 56.93 56.91 3ddm s PHE 86 Cb -0.03 -0.10 0.70 0.00 0.51 0.00 0.00 43.02 44.10 3ddm s PHE 86 CO 0.26 -0.05 1.78 0.00 0.70 0.00 0.00 175.22 177.91 3ddm h ALA 87 N 6.66 1.62 -2.77 5.36 0.00 -1.96 -0.21 119.26 127.97 3ddm h ALA 87 Ca -0.34 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ddm h ALA 87 Cb 1.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ddm h ALA 87 CO 0.49 -0.01 0.42 0.16 0.00 0.00 0.00 179.25 180.31 3ddm s ASP 88 N -5.46 -0.01 0.29 0.00 1.47 -1.26 -4.35 116.67 107.35 3ddm s ASP 88 Ca -0.11 -0.89 -0.02 0.00 1.18 0.00 0.00 52.55 52.70 3ddm s ASP 88 Cb 0.24 0.68 0.43 0.00 -0.34 0.00 0.00 42.92 43.93 3ddm s ASP 88 CO 0.80 -1.34 1.97 -0.65 0.68 0.00 0.00 175.17 176.62 3ddm h PRO 89 N 2.00 1.11 -0.78 2.11 0.11 -1.89 -2.41 132.00 132.25 3ddm h PRO 89 Ca -0.29 -0.07 0.09 0.00 0.11 0.00 0.00 66.00 65.84 3ddm h PRO 89 Cb 1.24 -0.25 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 3ddm h PRO 89 CO 0.37 0.73 0.42 0.00 -0.21 0.00 0.00 178.00 179.32 3ddm h ALA 90 N 1.47 1.09 -0.61 -0.75 0.00 -1.96 0.13 119.26 118.63 3ddm h ALA 90 Ca 0.31 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3ddm h ALA 90 Cb -0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ddm h ALA 90 CO -0.07 0.04 0.01 0.37 0.00 0.00 0.00 179.25 179.60 3ddm h GLN 91 N 0.71 1.08 -0.12 0.00 4.15 -1.85 -1.27 115.11 117.82 3ddm h GLN 91 Ca 0.38 -0.34 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 3ddm h GLN 91 Cb 0.36 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3ddm h GLN 91 CO -0.25 1.04 -0.29 0.00 -1.93 0.00 0.00 178.83 177.40 3ddm h ALA 92 N 1.01 1.29 0.08 3.38 0.00 -1.02 -1.11 119.26 122.89 3ddm h ALA 92 Ca 0.18 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ddm h ALA 92 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ddm h ALA 92 CO 0.03 0.49 -0.04 0.35 0.00 0.00 0.00 179.25 180.08 3ddm h PHE 93 N 0.20 -0.10 0.00 0.00 3.57 -0.32 -1.65 116.94 118.63 3ddm h PHE 93 Ca 0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3ddm h PHE 93 Cb 0.63 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3ddm h PHE 93 CO 0.01 0.22 -0.09 0.00 -2.23 0.00 0.00 178.31 176.21 3ddm h ALA 94 N 0.46 1.69 -0.10 2.41 0.00 -1.04 -1.83 119.26 120.85 3ddm h ALA 94 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3ddm h ALA 94 Cb 0.36 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ddm h ALA 94 CO 0.02 0.12 -0.45 1.25 0.00 0.00 0.00 179.25 180.19 3ddm h HIS 95 N 0.00 0.65 -0.58 0.00 -0.00 -1.01 -2.73 115.15 111.48 3ddm h HIS 95 Ca -0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 60.37 60.02 3ddm h HIS 95 Cb 0.18 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 3ddm h HIS 95 CO 0.00 1.05 0.11 -0.07 -0.00 0.00 0.00 177.93 179.01 3ddm h LEU 96 N 0.07 0.87 0.23 0.26 3.38 -0.79 -0.23 115.31 119.11 3ddm h LEU 96 Ca -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3ddm h LEU 96 Cb 1.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ddm h LEU 96 CO 0.09 0.87 -0.11 -0.33 0.09 0.00 0.00 178.44 179.05 3ddm h GLU 97 N 0.88 -0.30 -0.87 1.13 5.08 -1.40 -2.80 114.58 116.29 3ddm h GLU 97 Ca 0.18 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3ddm h GLU 97 Cb 0.37 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3ddm h GLU 97 CO 0.01 -0.01 0.55 0.00 -1.00 0.00 0.00 179.01 178.55 3ddm h ALA 98 N 0.10 1.18 0.00 3.43 0.00 -1.35 -0.40 119.26 122.22 3ddm h ALA 98 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ddm h ALA 98 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ddm h ALA 98 CO 0.05 0.34 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3ddm n ARG 99 N -4.58 0.94 0.00 0.00 5.12 -0.11 -3.31 116.66 114.73 3ddm n ARG 99 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3ddm n ARG 99 Cb 0.14 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 3ddm n ARG 99 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3ddm n THR 100 N -0.99 0.06 -0.20 0.55 -2.24 -0.74 -4.81 114.28 105.91 3ddm n THR 100 Ca 0.22 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 3ddm n THR 100 Cb 0.10 1.34 0.09 0.00 -2.10 0.00 0.00 70.33 69.77 3ddm n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ddm h ALA 101 N 0.00 0.79 -0.19 6.98 0.00 -1.09 -0.38 119.26 125.36 3ddm h ALA 101 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3ddm h ALA 101 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ddm h ALA 101 CO 0.00 -0.12 -0.54 0.28 0.00 0.00 0.00 179.25 178.88 3ddm h VAL 102 N 0.49 1.32 -0.04 0.00 2.07 -1.87 -2.83 116.25 115.38 3ddm h VAL 102 Ca 0.29 -1.78 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 3ddm h VAL 102 Cb 0.29 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3ddm h VAL 102 CO -0.24 0.55 -0.31 0.25 0.02 0.00 0.00 177.57 177.84 3ddm h LEU 103 N 0.44 0.07 -0.31 2.57 5.85 -1.74 -1.48 115.31 120.71 3ddm h LEU 103 Ca 0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 3ddm h LEU 103 Cb 1.08 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3ddm h LEU 103 CO 0.10 0.38 0.05 0.00 -0.34 0.00 0.00 178.44 178.64 3ddm h ALA 104 N 1.62 0.41 0.57 1.25 0.00 -0.86 -2.34 119.26 119.92 3ddm h ALA 104 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ddm h ALA 104 Cb 0.58 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ddm h ALA 104 CO 0.04 0.11 -0.28 0.82 0.00 0.00 0.00 179.25 179.95 3ddm h ILE 105 N 0.34 0.44 -0.78 0.00 2.04 -1.23 0.70 117.51 119.02 3ddm h ILE 105 Ca 0.09 -0.02 0.22 0.00 1.00 0.00 0.00 64.86 66.16 3ddm h ILE 105 Cb 0.34 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3ddm h ILE 105 CO 0.01 0.00 0.55 1.56 0.00 0.00 0.00 178.15 180.27 3ddm h GLN 106 N -0.78 0.04 0.00 2.37 1.08 -1.24 -2.88 115.11 113.70 3ddm h GLN 106 Ca -0.08 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3ddm h GLN 106 Cb 0.59 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3ddm h GLN 106 CO 0.13 0.03 -1.13 0.25 -0.95 0.00 0.00 178.83 177.16 3ddm n THR 107 N -4.33 0.00 -2.56 -0.54 -2.24 -0.89 -5.00 114.28 98.72 3ddm n THR 107 Ca 0.16 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3ddm n THR 107 Cb 0.82 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 3ddm n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddm n GLY 108 N 1.78 0.10 2.64 3.38 0.00 0.24 -4.96 105.19 108.37 3ddm n GLY 108 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3ddm n GLY 108 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ddm n GLU 109 N -2.24 3.38 0.24 1.61 1.02 -1.10 -4.80 120.64 118.76 3ddm n GLU 109 Ca -0.06 -4.43 0.09 0.00 -0.02 0.00 0.00 57.16 52.74 3ddm n GLU 109 Cb 0.56 -2.26 0.58 0.00 -0.02 0.00 0.00 31.44 30.30 3ddm n GLU 109 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ddm h PRO 110 N 2.79 0.00 0.21 3.49 0.13 -1.93 -2.94 132.00 133.75 3ddm h PRO 110 Ca 0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.44 3ddm h PRO 110 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3ddm h PRO 110 CO 0.95 0.20 -0.10 0.78 -0.23 0.00 0.00 178.00 179.60 3ddm h GLY 111 N 0.96 -0.29 -0.09 1.56 0.00 -1.98 -2.10 103.07 101.13 3ddm h GLY 111 Ca -0.00 0.11 0.15 0.00 0.00 0.00 0.00 47.33 47.58 3ddm h GLY 111 CO 0.03 -0.11 0.10 -2.55 0.00 0.00 0.00 176.54 174.01 3ddm h PRO 112 N -0.72 0.20 -0.33 4.80 0.11 -1.95 0.24 132.00 134.35 3ddm h PRO 112 Ca -0.03 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3ddm h PRO 112 Cb 0.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3ddm h PRO 112 CO 0.05 0.13 0.11 -0.07 -0.21 0.00 0.00 178.00 178.01 3ddm h LEU 113 N 0.20 0.47 -0.64 2.35 3.38 -1.65 -0.16 115.31 119.26 3ddm h LEU 113 Ca 0.38 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3ddm h LEU 113 Cb 0.64 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3ddm h LEU 113 CO -0.53 0.54 0.43 0.00 0.09 0.00 0.00 178.44 178.97 3ddm h ALA 114 N 0.95 0.82 -0.12 1.53 0.00 -0.58 0.21 119.26 122.07 3ddm h ALA 114 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ddm h ALA 114 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ddm h ALA 114 CO -0.01 0.25 0.07 1.96 0.00 0.00 0.00 179.25 181.52 3ddm h GLN 115 N 0.87 0.17 -0.79 0.00 4.20 -0.73 0.45 115.11 119.29 3ddm h GLN 115 Ca 0.24 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3ddm h GLN 115 Cb -0.10 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 3ddm h GLN 115 CO -0.05 0.20 0.45 0.00 -0.67 0.00 0.00 178.83 178.75 3ddm h ALA 116 N 0.97 1.01 -0.37 3.87 0.00 -0.80 -0.80 119.26 123.14 3ddm h ALA 116 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3ddm h ALA 116 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ddm h ALA 116 CO -0.01 0.51 0.12 0.82 0.00 0.00 0.00 179.25 180.70 3ddm h ILE 117 N 1.09 1.21 -0.62 0.00 2.04 -0.46 -2.16 117.51 118.61 3ddm h ILE 117 Ca 0.28 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.51 3ddm h ILE 117 Cb 0.01 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3ddm h ILE 117 CO -0.05 0.23 0.38 0.00 0.00 0.00 0.00 178.15 178.72 3ddm h ALA 118 N 0.97 0.80 -0.88 1.87 0.00 0.31 -1.32 119.26 121.01 3ddm h ALA 118 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ddm h ALA 118 Cb 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3ddm h ALA 118 CO -0.01 0.13 0.58 0.78 0.00 0.00 0.00 179.25 180.74 3ddm h GLY 119 N 0.76 1.26 2.00 0.00 0.00 -0.93 -1.77 103.07 104.40 3ddm h GLY 119 Ca 0.25 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3ddm h GLY 119 CO -0.10 0.41 -0.38 1.41 0.00 0.00 0.00 176.54 177.88 3ddm h LEU 120 N 1.15 0.00 -0.22 3.11 3.38 -0.80 -2.66 115.31 119.28 3ddm h LEU 120 Ca 0.34 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.10 3ddm h LEU 120 Cb -0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.69 3ddm h LEU 120 CO -0.09 0.38 -0.66 -0.78 0.09 0.00 0.00 178.44 177.38 3ddm h ASP 121 N 0.00 0.95 -0.72 -0.43 1.82 -0.62 -1.72 116.42 115.70 3ddm h ASP 121 Ca -0.00 -0.58 0.03 0.00 -0.39 0.00 0.00 57.03 56.09 3ddm h ASP 121 Cb 0.77 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 3ddm h ASP 121 CO 0.05 1.37 0.48 0.40 -1.61 0.00 0.00 179.24 179.93 3ddm h ILE 122 N 0.58 1.11 -0.05 2.25 2.04 -1.15 -0.35 117.51 121.93 3ddm h ILE 122 Ca -0.02 -0.30 -0.23 0.00 1.00 0.00 0.00 64.86 65.31 3ddm h ILE 122 Cb 1.28 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3ddm h ILE 122 CO 0.14 0.16 -0.89 0.00 0.00 0.00 0.00 178.15 177.56 3ddm h ALA 123 N 1.58 0.33 -0.26 1.87 0.00 -1.33 -1.34 119.26 120.11 3ddm h ALA 123 Ca 0.29 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3ddm h ALA 123 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ddm h ALA 123 CO -0.08 0.74 -0.34 -0.07 0.00 0.00 0.00 179.25 179.50 3ddm h LEU 124 N 0.36 0.59 -0.30 0.00 3.38 -0.79 0.13 115.31 118.67 3ddm h LEU 124 Ca -0.08 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.46 3ddm h LEU 124 Cb 1.52 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3ddm h LEU 124 CO 0.17 0.88 -0.67 0.00 0.09 0.00 0.00 178.44 178.91 3ddm h ASP 126 N 0.52 0.67 -0.35 0.00 3.58 -1.02 0.12 116.42 119.94 3ddm h ASP 126 Ca -0.02 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 3ddm h ASP 126 Cb 1.27 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 3ddm h ASP 126 CO 0.14 0.60 0.21 0.25 -2.88 0.00 0.00 179.24 177.55 3ddm h LEU 127 N 0.68 0.42 -0.74 2.28 5.85 -0.62 -0.49 115.31 122.69 3ddm h LEU 127 Ca 0.18 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3ddm h LEU 127 Cb 0.11 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ddm h LEU 127 CO -0.02 0.36 0.22 0.00 -0.34 0.00 0.00 178.44 178.66 3ddm h ALA 128 N 1.08 0.97 -0.47 1.25 0.00 -0.73 -1.19 119.26 120.18 3ddm h ALA 128 Ca 0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3ddm h ALA 128 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ddm h ALA 128 CO -0.02 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.69 3ddm h ALA 129 N 1.12 0.65 0.01 0.00 0.00 -0.56 -2.23 119.26 118.25 3ddm h ALA 129 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ddm h ALA 129 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ddm h ALA 129 CO -0.01 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3ddm h ARG 130 N 0.81 -0.01 -0.71 0.00 3.08 -0.88 0.25 114.38 116.92 3ddm h ARG 130 Ca 0.11 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.27 3ddm h ARG 130 Cb 0.78 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 3ddm h ARG 130 CO 0.06 0.16 0.47 0.00 -1.07 0.00 0.00 179.97 179.59 3ddm h ARG 131 N -0.18 0.52 -0.05 0.04 3.08 -1.16 0.88 114.38 117.50 3ddm h ARG 131 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ddm h ARG 131 Cb 0.18 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ddm h ARG 131 CO 0.00 0.34 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 3ddm n ALA 132 N -2.49 2.60 -3.55 0.04 0.00 -0.85 -4.90 120.51 111.35 3ddm n ALA 132 Ca 0.12 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 3ddm n ALA 132 Cb 0.39 -1.27 0.08 0.00 0.00 0.00 0.00 19.45 18.65 3ddm n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddm n GLY 133 N 0.97 -0.50 3.11 0.00 0.00 0.30 -5.01 105.19 104.07 3ddm n GLY 133 Ca 0.17 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 3ddm n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddm s GLN 134 N -6.05 0.66 0.33 1.61 -0.21 0.82 -4.88 119.66 111.94 3ddm s GLN 134 Ca 0.42 -0.91 -0.27 0.00 0.02 0.00 0.00 55.36 54.62 3ddm s GLN 134 Cb -0.19 -0.44 -0.09 0.00 1.00 0.00 0.00 33.01 33.29 3ddm s GLN 134 CO 0.73 0.08 1.08 -1.25 -2.12 0.00 0.00 175.29 173.81 3ddm s PRO 135 N -1.98 4.44 0.32 2.91 0.04 -1.25 0.38 135.00 139.86 3ddm s PRO 135 Ca -0.04 1.69 0.09 0.00 0.04 0.00 0.00 61.00 62.78 3ddm s PRO 135 Cb -0.08 -2.93 0.89 0.00 0.04 0.00 0.00 34.50 32.43 3ddm s PRO 135 CO 0.00 0.06 1.69 1.25 0.04 0.00 0.00 177.00 180.04 3ddm h LEU 136 N 3.27 0.45 -1.11 -3.56 7.12 -0.82 0.39 115.31 121.05 3ddm h LEU 136 Ca -0.47 0.17 0.05 0.00 0.13 0.00 0.00 57.88 57.75 3ddm h LEU 136 Cb 1.21 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 41.41 3ddm h LEU 136 CO 0.65 -0.04 0.60 4.11 -0.13 0.00 0.00 178.44 183.63 3ddm h TRP 137 N 0.40 1.10 -0.23 1.25 5.08 -1.81 -0.34 115.95 121.41 3ddm h TRP 137 Ca 0.64 0.03 -0.14 0.00 1.08 0.00 0.00 58.89 60.50 3ddm h TRP 137 Cb 1.32 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 3ddm h TRP 137 CO -0.07 0.62 -0.41 0.00 -1.28 0.00 0.00 178.44 177.29 3ddm h ALA 138 N 1.48 0.35 -0.56 0.11 0.00 -1.19 0.22 119.26 119.67 3ddm h ALA 138 Ca 0.38 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ddm h ALA 138 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3ddm h ALA 138 CO -0.12 0.46 0.28 2.35 0.00 0.00 0.00 179.25 182.22 3ddm h TRP 139 N 0.39 0.52 0.00 0.00 7.01 -0.89 0.49 115.95 123.46 3ddm h TRP 139 Ca 0.01 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3ddm h TRP 139 Cb 1.01 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 3ddm h TRP 139 CO 0.08 0.24 0.00 1.28 -2.79 0.00 0.00 178.44 177.26 3ddm n LEU 140 N -4.87 0.00 -0.07 0.65 4.77 -0.18 -4.79 117.00 112.51 3ddm n LEU 140 Ca 0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3ddm n LEU 140 Cb 0.16 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3ddm n LEU 140 CO 0.28 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.95 3ddm n GLY 141 N -0.06 0.36 3.93 -0.72 0.00 0.16 -4.97 105.19 103.89 3ddm n GLY 141 Ca 0.02 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 3ddm n GLY 141 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ddm s GLY 142 N -2.97 1.63 0.00 -0.02 0.00 0.06 -5.00 107.32 101.02 3ddm s GLY 142 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3ddm s GLY 142 CO 0.00 -0.52 0.59 -1.14 0.00 0.00 0.00 173.10 172.04 3ddm n SER 143 N -2.58 1.11 -4.05 1.64 3.41 -1.26 -4.60 113.62 107.28 3ddm n SER 143 Ca 0.05 -1.31 -0.10 0.00 -0.26 0.00 0.00 58.87 57.25 3ddm n SER 143 Cb 0.58 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 3ddm n SER 143 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ddm s GLY 144 N -0.31 0.78 0.00 5.00 0.00 -1.26 -5.07 107.32 106.46 3ddm s GLY 144 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3ddm s GLY 144 CO 0.00 -0.85 0.63 2.09 0.00 0.00 0.00 173.10 174.96 3ddm n ASP 145 N -0.34 0.83 -4.68 1.64 5.75 -1.26 -4.69 116.55 113.80 3ddm n ASP 145 Ca -0.01 -1.37 -0.36 0.00 -0.01 0.00 0.00 54.79 53.04 3ddm n ASP 145 Cb 0.63 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.63 3ddm n ASP 145 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3ddm s ARG 146 N -0.37 4.12 0.08 0.11 3.52 -1.26 -0.99 118.95 124.16 3ddm s ARG 146 Ca 0.00 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.41 3ddm s ARG 146 Cb 0.00 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3ddm s ARG 146 CO 0.00 0.12 -0.06 0.96 -0.81 0.00 0.00 175.30 175.52 3ddm s ILE 147 N 0.86 0.56 0.37 4.11 -4.36 0.07 -4.95 121.20 117.86 3ddm s ILE 147 Ca 0.09 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3ddm s ILE 147 Cb -0.13 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 3ddm s ILE 147 CO 0.03 -0.89 0.58 -0.83 0.24 0.00 0.00 174.94 174.07 3ddm s GLY 148 N -2.95 1.39 0.18 6.27 0.00 -1.26 -1.14 107.32 109.81 3ddm s GLY 148 Ca 0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 3ddm s GLY 148 CO -0.06 -0.83 0.10 -1.34 0.00 0.00 0.00 173.10 170.97 3ddm s VAL 149 N -2.38 0.09 -0.03 1.40 -7.23 -1.02 -1.31 120.40 109.92 3ddm s VAL 149 Ca 0.42 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.54 3ddm s VAL 149 Cb -0.10 -2.35 0.01 0.00 0.56 0.00 0.00 36.38 34.51 3ddm s VAL 149 CO 0.37 -0.17 0.18 -0.72 -0.31 0.00 0.00 175.10 174.45 3ddm s TYR 150 N -4.08 -0.08 -0.16 2.82 1.13 -0.53 -4.33 117.35 112.12 3ddm s TYR 150 Ca 0.34 0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.87 3ddm s TYR 150 Cb 0.07 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.93 3ddm s TYR 150 CO 0.08 -0.23 1.34 0.00 -2.51 0.00 0.00 175.55 174.23 3ddm s ALA 151 N -0.81 3.63 -0.09 9.51 0.00 0.37 -1.10 121.76 133.27 3ddm s ALA 151 Ca -0.09 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.38 3ddm s ALA 151 Cb -0.05 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 3ddm s ALA 151 CO 0.01 -1.26 -0.06 0.45 0.00 0.00 0.00 175.76 174.90 3ddm s SER 152 N 2.30 4.72 -0.11 0.00 0.15 0.98 -0.60 113.70 121.13 3ddm s SER 152 Ca 0.58 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 57.20 3ddm s SER 152 Cb -0.23 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 3ddm s SER 152 CO 0.18 0.33 0.10 0.61 1.20 0.00 0.00 173.24 175.65 3ddm n GLY 153 N 2.45 0.66 3.68 9.45 0.00 -1.08 -0.74 105.19 119.61 3ddm n GLY 153 Ca -0.18 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3ddm n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddm s ILE 154 N -3.03 4.14 0.56 -0.61 1.01 -0.92 -4.71 121.20 117.64 3ddm s ILE 154 Ca 0.03 1.44 -0.20 0.00 0.00 0.00 0.00 60.65 61.92 3ddm s ILE 154 Cb -0.01 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3ddm s ILE 154 CO 0.06 -0.06 1.23 0.20 0.00 0.00 0.00 174.94 176.37 3ddm s ASN 155 N 1.83 5.41 0.47 3.58 -0.87 -1.26 -2.19 114.94 121.92 3ddm s ASN 155 Ca 0.58 2.44 0.32 0.00 -1.57 0.00 0.00 52.86 54.63 3ddm s ASN 155 Cb -0.25 -2.61 1.49 0.00 -0.02 0.00 0.00 41.25 39.87 3ddm s ASN 155 CO 0.20 -1.45 1.96 1.55 -2.57 0.00 0.00 177.10 176.80 3ddm h PRO 156 N 1.24 0.00 0.77 -0.60 0.13 -1.95 -3.31 132.00 128.28 3ddm h PRO 156 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 3ddm h PRO 156 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3ddm h PRO 156 CO 0.57 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 178.83 3ddm h GLU 157 N 0.00 -1.07 -2.04 0.86 3.07 -1.96 -3.39 114.58 110.05 3ddm h GLU 157 Ca 0.00 0.07 -0.56 0.00 -0.50 0.00 0.00 59.36 58.37 3ddm h GLU 157 Cb 0.28 0.24 -0.38 0.00 -0.84 0.00 0.00 28.75 28.05 3ddm h GLU 157 CO 0.00 -0.72 -1.07 0.09 -1.40 0.00 0.00 179.01 175.92 3ddm n ASN 158 N -5.58 -0.05 -0.12 1.42 5.03 -1.25 -5.00 115.26 109.71 3ddm n ASN 158 Ca -0.14 -2.63 -0.05 0.00 0.87 0.00 0.00 54.58 52.63 3ddm n ASN 158 Cb 0.46 -0.56 0.03 0.00 -1.02 0.00 0.00 39.78 38.69 3ddm n ASN 158 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3ddm h PRO 159 N 4.35 0.13 -0.53 3.52 0.11 -1.77 -2.51 132.00 135.31 3ddm h PRO 159 Ca 0.11 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.28 3ddm h PRO 159 Cb 0.89 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 3ddm h PRO 159 CO 0.44 0.09 0.35 1.05 -0.21 0.00 0.00 178.00 179.72 3ddm h GLU 160 N 0.14 0.43 0.25 1.05 9.09 -1.93 0.24 114.58 123.85 3ddm h GLU 160 Ca 0.20 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.57 3ddm h GLU 160 Cb 0.27 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 3ddm h GLU 160 CO -0.30 0.29 -0.12 -0.44 0.05 0.00 0.00 179.01 178.48 3ddm h ASP 161 N 0.44 -0.29 0.56 3.06 3.32 -1.88 -2.08 116.42 119.56 3ddm h ASP 161 Ca 0.23 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3ddm h ASP 161 Cb 0.34 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3ddm h ASP 161 CO -0.06 0.12 -0.57 -0.37 -1.72 0.00 0.00 179.24 176.64 3ddm h VAL 162 N -0.75 1.41 -0.63 -1.35 -1.51 -1.43 -2.14 116.25 109.85 3ddm h VAL 162 Ca -0.03 -1.96 -0.06 0.00 -1.23 0.00 0.00 66.70 63.42 3ddm h VAL 162 Cb 0.50 2.05 -0.03 0.00 -2.13 0.00 0.00 31.29 31.68 3ddm h VAL 162 CO 0.06 0.56 0.16 0.58 -1.23 0.00 0.00 177.57 177.70 3ddm h VAL 163 N 0.01 1.24 -0.12 7.19 2.07 -0.99 0.21 116.25 125.86 3ddm h VAL 163 Ca -0.01 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3ddm h VAL 163 Cb 1.02 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3ddm h VAL 163 CO 0.08 0.34 0.04 0.00 0.02 0.00 0.00 177.57 178.05 3ddm h ALA 164 N 1.23 0.16 -0.48 1.67 0.00 -1.07 -0.82 119.26 119.95 3ddm h ALA 164 Ca 0.20 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ddm h ALA 164 Cb 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3ddm h ALA 164 CO -0.00 -0.24 0.26 -0.09 0.00 0.00 0.00 179.25 179.17 3ddm h ARG 165 N 0.03 0.49 0.00 0.00 2.43 -0.87 -0.67 114.38 115.79 3ddm h ARG 165 Ca 0.04 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 3ddm h ARG 165 Cb 0.19 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3ddm h ARG 165 CO -0.00 0.33 -0.48 0.87 -1.51 0.00 0.00 179.97 179.18 3ddm h LYS 166 N 0.51 0.00 -0.38 0.20 1.79 -0.52 -1.87 116.57 116.30 3ddm h LYS 166 Ca 0.21 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.59 3ddm h LYS 166 Cb 0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3ddm h LYS 166 CO -0.13 0.48 -0.11 0.00 -1.08 0.00 0.00 179.45 178.60 3ddm h ALA 167 N 1.52 0.53 -0.59 3.86 0.00 -0.50 -0.78 119.26 123.30 3ddm h ALA 167 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3ddm h ALA 167 Cb 0.92 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3ddm h ALA 167 CO 0.06 0.41 0.26 0.00 0.00 0.00 0.00 179.25 179.98 3ddm h ALA 168 N 0.82 1.34 0.00 0.00 0.00 -0.80 -1.57 119.26 119.05 3ddm h ALA 168 Ca 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ddm h ALA 168 Cb 0.64 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ddm h ALA 168 CO 0.04 0.50 -0.00 0.93 0.00 0.00 0.00 179.25 180.72 3ddm h GLU 169 N 0.84 0.00 0.00 0.00 5.08 -1.04 -3.46 114.58 116.00 3ddm h GLU 169 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3ddm h GLU 169 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ddm h GLU 169 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 3ddm n GLY 170 N -0.04 0.26 3.73 -3.84 0.00 -0.59 -5.00 105.19 99.70 3ddm n GLY 170 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ddm n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ddm s TYR 171 N -1.19 3.70 -0.15 1.61 2.02 -0.34 -1.52 117.35 121.48 3ddm s TYR 171 Ca 0.00 1.69 0.17 0.00 -0.37 0.00 0.00 57.07 58.56 3ddm s TYR 171 Cb 0.00 -3.15 0.34 0.00 -0.40 0.00 0.00 41.96 38.75 3ddm s TYR 171 CO 0.00 -0.16 1.22 0.54 -1.57 0.00 0.00 175.55 175.58 3ddm n ARG 172 N 3.05 1.83 -3.65 -0.62 5.12 -1.26 -4.29 116.66 116.84 3ddm n ARG 172 Ca 0.04 -2.60 -0.14 0.00 -1.93 0.00 0.00 57.85 53.22 3ddm n ARG 172 Cb 0.49 -1.57 -0.08 0.00 -1.16 0.00 0.00 32.46 30.14 3ddm n ARG 172 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ddm s ALA 173 N -2.76 -1.52 0.02 7.54 0.00 -1.26 -4.07 121.76 119.72 3ddm s ALA 173 Ca 0.33 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.88 3ddm s ALA 173 Cb 0.28 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3ddm s ALA 173 CO 0.05 -0.30 -0.03 -0.06 0.00 0.00 0.00 175.76 175.41 3ddm s PHE 174 N -0.02 0.28 -0.10 0.00 0.08 -0.91 -0.48 117.98 116.82 3ddm s PHE 174 Ca -0.03 -0.55 0.01 0.00 0.12 0.00 0.00 56.93 56.49 3ddm s PHE 174 Cb -0.04 -0.20 0.02 0.00 -0.57 0.00 0.00 43.02 42.23 3ddm s PHE 174 CO 0.03 -0.19 -0.13 0.21 -0.10 0.00 0.00 175.22 175.03 3ddm s LYS 175 N -1.53 2.00 0.10 0.44 2.20 0.23 -0.58 119.74 122.61 3ddm s LYS 175 Ca -0.15 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 3ddm s LYS 175 Cb -0.09 -1.76 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 3ddm s LYS 175 CO -0.01 -0.09 0.31 -0.51 -0.36 0.00 0.00 175.35 174.69 3ddm s LEU 176 N 1.07 4.31 -0.08 5.43 1.02 -0.69 -2.16 118.68 127.59 3ddm s LEU 176 Ca -0.06 0.47 -0.16 0.00 0.02 0.00 0.00 54.13 54.40 3ddm s LEU 176 Cb -0.15 -3.13 -0.05 0.00 0.02 0.00 0.00 46.19 42.88 3ddm s LEU 176 CO -0.02 0.11 0.42 -0.54 0.02 0.00 0.00 176.35 176.34 3ddm s LYS 177 N -2.53 4.17 0.26 1.70 -0.14 -0.93 -0.23 119.74 122.04 3ddm s LYS 177 Ca 0.38 0.38 0.02 0.00 -1.36 0.00 0.00 55.97 55.39 3ddm s LYS 177 Cb -0.13 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 3ddm s LYS 177 CO 0.25 0.38 0.17 0.14 -0.76 0.00 0.00 175.35 175.53 3ddm s VAL 178 N -0.06 0.09 0.00 3.17 -7.23 -0.22 -4.41 120.40 111.75 3ddm s VAL 178 Ca 0.24 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 3ddm s VAL 178 Cb -0.15 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3ddm s VAL 178 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 3ddm n GLY 179 N -0.43 1.91 0.05 2.32 0.00 -1.26 -4.15 105.19 103.63 3ddm n GLY 179 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3ddm n GLY 179 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ddm h PHE 180 N 0.00 0.00 -3.36 1.61 0.04 -1.93 -3.46 116.94 109.84 3ddm h PHE 180 Ca 0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 3ddm h PHE 180 Cb 0.00 0.00 -0.38 0.00 2.20 0.00 0.00 35.95 37.77 3ddm h PHE 180 CO 0.00 0.03 -0.78 0.34 -0.60 0.00 0.00 178.31 177.30 3ddm s ASP 181 N -5.61 2.94 0.17 2.17 2.15 -1.26 -5.06 116.67 112.17 3ddm s ASP 181 Ca -0.03 -0.74 -0.23 0.00 0.43 0.00 0.00 52.55 51.97 3ddm s ASP 181 Cb 0.00 -0.87 0.07 0.00 -0.30 0.00 0.00 42.92 41.82 3ddm s ASP 181 CO 0.06 -0.21 1.58 0.44 -0.17 0.00 0.00 175.17 176.87 3ddm h ASP 182 N 8.13 -1.27 -0.44 -0.34 5.19 -2.00 -0.69 116.42 125.00 3ddm h ASP 182 Ca -0.22 0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 56.36 3ddm h ASP 182 Cb 1.11 0.60 -0.02 0.00 0.18 0.00 0.00 39.33 41.20 3ddm h ASP 182 CO 0.38 -0.33 0.05 0.00 -3.12 0.00 0.00 179.24 176.22 3ddm h ALA 183 N 0.77 0.59 -0.63 3.45 0.00 -2.00 -2.79 119.26 118.66 3ddm h ALA 183 Ca 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3ddm h ALA 183 Cb 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ddm h ALA 183 CO -0.64 0.34 0.15 -0.09 0.00 0.00 0.00 179.25 179.01 3ddm h ARG 184 N 0.61 1.01 -0.50 0.00 2.43 -1.95 -2.36 114.38 113.63 3ddm h ARG 184 Ca 0.13 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3ddm h ARG 184 Cb 0.42 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3ddm h ARG 184 CO 0.01 0.92 0.33 -0.44 -1.51 0.00 0.00 179.97 179.28 3ddm h ASP 185 N 0.93 0.57 0.79 -3.80 3.32 -1.04 0.12 116.42 117.32 3ddm h ASP 185 Ca 0.20 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3ddm h ASP 185 Cb 0.37 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3ddm h ASP 185 CO 0.00 0.42 -0.24 -0.37 -1.72 0.00 0.00 179.24 177.34 3ddm h VAL 186 N 0.67 0.64 0.04 -1.35 -1.51 -1.42 0.50 116.25 113.82 3ddm h VAL 186 Ca 0.18 -1.10 -0.00 0.00 -1.23 0.00 0.00 66.70 64.55 3ddm h VAL 186 Cb -0.07 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.81 3ddm h VAL 186 CO -0.04 0.24 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.43 3ddm h ARG 187 N 0.00 -0.05 0.10 5.19 2.43 -0.76 -2.50 114.38 118.79 3ddm h ARG 187 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ddm h ARG 187 Cb 0.70 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3ddm h ARG 187 CO 0.03 0.48 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.89 3ddm h ASN 188 N -0.61 -0.47 -0.34 -3.80 2.35 -0.56 0.23 115.58 112.39 3ddm h ASN 188 Ca -0.00 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.87 3ddm h ASN 188 Cb 0.55 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 39.01 3ddm h ASN 188 CO 0.01 -0.25 -0.31 0.00 -1.65 0.00 0.00 177.43 175.23 3ddm h ALA 189 N 0.51 -0.20 -0.37 -0.83 0.00 -0.96 0.46 119.26 117.86 3ddm h ALA 189 Ca 0.02 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3ddm h ALA 189 Cb 0.35 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ddm h ALA 189 CO -0.09 -0.73 -0.36 -0.07 0.00 0.00 0.00 179.25 178.01 3ddm h LEU 190 N -0.27 0.92 0.17 0.00 3.38 -1.28 -2.56 115.31 115.67 3ddm h LEU 190 Ca 0.16 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3ddm h LEU 190 Cb 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ddm h LEU 190 CO -0.49 1.18 -0.08 -0.74 0.09 0.00 0.00 178.44 178.40 3ddm h HIS 191 N 0.72 -0.21 0.00 1.13 2.76 -0.00 -1.62 115.15 117.93 3ddm h HIS 191 Ca 0.07 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3ddm h HIS 191 Cb 0.93 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.96 3ddm h HIS 191 CO 0.06 -0.10 -0.06 0.28 -1.30 0.00 0.00 177.93 176.81 3ddm h VAL 192 N -0.26 0.92 -0.36 5.26 2.07 -0.95 -1.47 116.25 121.47 3ddm h VAL 192 Ca -0.02 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.14 3ddm h VAL 192 Cb 0.20 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ddm h VAL 192 CO 0.04 0.06 -0.35 -0.09 0.02 0.00 0.00 177.57 177.25 3ddm h ARG 193 N 0.00 0.87 0.52 1.57 9.65 -0.99 -1.70 114.38 124.29 3ddm h ARG 193 Ca -0.00 -0.46 -0.03 0.00 -1.10 0.00 0.00 59.98 58.40 3ddm h ARG 193 Cb 0.11 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3ddm h ARG 193 CO 0.01 1.10 -0.25 0.93 2.80 0.00 0.00 179.97 184.56 3ddm h GLU 194 N 0.67 -0.67 -0.27 0.20 5.08 -0.39 -0.38 114.58 118.83 3ddm h GLU 194 Ca 0.06 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3ddm h GLU 194 Cb 0.94 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 3ddm h GLU 194 CO 0.09 -0.45 -0.28 1.25 -1.00 0.00 0.00 179.01 178.62 3ddm h LEU 195 N -0.70 -0.89 -1.54 1.33 5.85 -1.28 -2.05 115.31 116.03 3ddm h LEU 195 Ca -0.07 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ddm h LEU 195 Cb 0.54 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3ddm h LEU 195 CO 0.11 -0.30 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.74 3ddm h LEU 196 N -0.27 0.00 0.00 2.25 3.38 -1.24 -3.48 115.31 115.95 3ddm h LEU 196 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ddm h LEU 196 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ddm h LEU 196 CO -0.42 0.10 0.00 0.61 0.09 0.00 0.00 178.44 178.82 3ddm n GLY 197 N -0.14 0.86 0.00 0.83 0.00 -0.16 -4.55 105.19 102.03 3ddm n GLY 197 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3ddm n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm n ALA 198 N 0.78 0.00 0.43 4.61 0.00 -1.26 -4.63 120.51 120.44 3ddm n ALA 198 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3ddm n ALA 198 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 3ddm n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddm h ALA 199 N 0.00 1.00 -2.29 0.00 0.00 -1.97 -3.45 119.26 112.56 3ddm h ALA 199 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3ddm h ALA 199 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ddm h ALA 199 CO 0.00 0.00 0.64 0.99 0.00 0.00 0.00 179.25 180.88 3ddm s THR 200 N -3.21 4.48 0.09 0.00 2.01 -1.26 -4.99 115.64 112.77 3ddm s THR 200 Ca 0.08 1.78 -0.31 0.00 0.31 0.00 0.00 61.69 63.55 3ddm s THR 200 Cb 0.09 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 3ddm s THR 200 CO 0.60 -0.00 1.76 -2.84 -0.69 0.00 0.00 174.62 173.45 3ddm s PRO 201 N 2.13 4.16 -0.06 4.92 0.02 -1.26 -4.98 135.00 139.94 3ddm s PRO 201 Ca 0.53 2.49 0.04 0.00 0.02 0.00 0.00 61.00 64.07 3ddm s PRO 201 Cb -0.22 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.67 3ddm s PRO 201 CO 0.20 -0.81 -0.17 -1.17 -0.33 0.00 0.00 177.00 174.72 3ddm s LEU 202 N 2.81 1.87 0.38 -5.54 2.96 -1.26 -2.14 118.68 117.76 3ddm s LEU 202 Ca 0.78 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 3ddm s LEU 202 Cb -0.43 -1.00 -0.06 0.00 0.50 0.00 0.00 46.19 45.20 3ddm s LEU 202 CO 0.35 0.12 0.04 -0.04 -1.32 0.00 0.00 176.35 175.51 3ddm s MET 203 N 0.24 1.83 -0.10 1.98 -1.94 0.26 0.18 119.30 121.75 3ddm s MET 203 Ca -0.09 -2.05 -0.07 0.00 -1.71 0.00 0.00 55.69 51.77 3ddm s MET 203 Cb -0.14 -1.16 0.04 0.00 2.01 0.00 0.00 34.83 35.58 3ddm s MET 203 CO 0.04 -0.19 0.26 0.00 -0.01 0.00 0.00 175.02 175.12 3ddm s ALA 204 N -3.06 -0.62 -0.16 3.03 0.00 -1.07 -1.70 121.76 118.19 3ddm s ALA 204 Ca 0.32 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3ddm s ALA 204 Cb 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.69 3ddm s ALA 204 CO 0.15 -0.16 -0.17 0.34 0.00 0.00 0.00 175.76 175.93 3ddm s ASP 205 N 0.67 2.85 0.00 0.00 2.15 0.69 0.11 116.67 123.13 3ddm s ASP 205 Ca -0.04 -0.55 0.23 0.00 0.43 0.00 0.00 52.55 52.62 3ddm s ASP 205 Cb -0.06 -1.29 0.07 0.00 -0.30 0.00 0.00 42.92 41.34 3ddm s ASP 205 CO -0.04 -0.03 1.12 0.00 -0.17 0.00 0.00 175.17 176.05 3ddm n ALA 206 N 4.68 3.97 -3.87 3.66 0.00 -0.13 -1.06 120.51 127.76 3ddm n ALA 206 Ca -0.19 -0.56 -0.25 0.00 0.00 0.00 0.00 53.44 52.44 3ddm n ALA 206 Cb 0.50 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3ddm n ALA 206 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ddm n ASN 207 N -0.87 -1.41 -2.62 0.00 4.13 -1.20 -1.45 115.26 111.84 3ddm n ASN 207 Ca 0.07 -0.91 -0.19 0.00 1.68 0.00 0.00 54.58 55.23 3ddm n ASN 207 Cb 0.38 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.10 3ddm n ASN 207 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ddm n GLN 208 N -4.39 -2.66 -0.01 3.52 6.02 0.26 -4.88 117.38 115.25 3ddm n GLN 208 Ca -0.23 0.86 0.14 0.00 -0.01 0.00 0.00 57.00 57.75 3ddm n GLN 208 Cb 0.65 -5.56 0.48 0.00 1.02 0.00 0.00 30.24 26.83 3ddm n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ddm n GLY 209 N -1.09 0.10 3.45 1.08 0.00 -0.53 -4.32 105.19 103.88 3ddm n GLY 209 Ca -0.18 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 3ddm n GLY 209 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ddm s TRP 210 N -1.98 2.14 0.46 1.61 0.51 -1.15 -5.00 118.94 115.53 3ddm s TRP 210 Ca 0.37 -0.43 0.08 0.00 -2.12 0.00 0.00 56.10 54.00 3ddm s TRP 210 Cb 0.21 -0.99 0.02 0.00 -0.81 0.00 0.00 33.47 31.90 3ddm s TRP 210 CO 0.33 0.59 0.57 0.16 -0.51 0.00 0.00 176.95 178.09 3ddm s ASP 211 N -3.47 5.32 0.15 2.95 1.47 -1.26 -4.33 116.67 117.51 3ddm s ASP 211 Ca 0.28 -0.65 -0.22 0.00 1.18 0.00 0.00 52.55 53.14 3ddm s ASP 211 Cb -0.03 -0.34 0.03 0.00 -0.34 0.00 0.00 42.92 42.25 3ddm s ASP 211 CO 0.13 -0.90 1.63 0.25 0.68 0.00 0.00 175.17 176.96 3ddm h LEU 212 N 0.62 -0.80 -1.81 2.11 5.85 -1.96 -1.32 115.31 118.01 3ddm h LEU 212 Ca -0.38 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3ddm h LEU 212 Cb 1.28 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 3ddm h LEU 212 CO 0.48 -0.28 -0.13 1.55 -0.34 0.00 0.00 178.44 179.71 3ddm h PRO 213 N -0.25 0.00 0.01 5.25 0.13 -2.00 -1.90 132.00 133.24 3ddm h PRO 213 Ca 0.14 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.00 3ddm h PRO 213 Cb 0.47 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.62 3ddm h PRO 213 CO -0.40 0.13 -1.06 -0.09 -0.23 0.00 0.00 178.00 176.36 3ddm h ARG 214 N 0.00 0.67 -0.47 0.86 2.43 -1.81 -2.51 114.38 113.54 3ddm h ARG 214 Ca -0.00 -0.74 -0.02 0.00 -0.81 0.00 0.00 59.98 58.41 3ddm h ARG 214 Cb 0.26 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3ddm h ARG 214 CO 0.02 1.31 0.21 0.00 -1.51 0.00 0.00 179.97 180.00 3ddm h ALA 215 N 0.43 0.61 0.01 2.80 0.00 -0.98 0.30 119.26 122.42 3ddm h ALA 215 Ca -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ddm h ALA 215 Cb 1.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3ddm h ALA 215 CO 0.20 0.19 -0.10 0.00 0.00 0.00 0.00 179.25 179.55 3ddm h ARG 216 N 0.61 -0.17 0.09 0.00 3.08 -1.39 0.52 114.38 117.12 3ddm h ARG 216 Ca 0.16 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3ddm h ARG 216 Cb 0.15 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3ddm h ARG 216 CO -0.02 -0.11 -0.18 0.37 -1.07 0.00 0.00 179.97 178.96 3ddm h GLN 217 N -0.17 -0.33 -0.39 0.04 4.15 -1.10 -2.49 115.11 114.81 3ddm h GLN 217 Ca 0.03 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 3ddm h GLN 217 Cb 0.21 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3ddm h GLN 217 CO -0.09 -0.22 -0.06 0.52 -1.93 0.00 0.00 178.83 177.05 3ddm h MET 218 N -0.34 0.74 -0.32 1.69 2.86 -0.21 -2.32 114.93 117.04 3ddm h MET 218 Ca 0.03 -0.26 0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3ddm h MET 218 Cb 0.37 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3ddm h MET 218 CO -0.11 0.86 0.27 0.00 1.06 0.00 0.00 176.91 178.99 3ddm h ALA 219 N 0.85 2.13 0.02 6.32 0.00 0.14 0.79 119.26 129.51 3ddm h ALA 219 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ddm h ALA 219 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ddm h ALA 219 CO 0.03 -0.43 -0.01 0.37 0.00 0.00 0.00 179.25 179.21 3ddm h GLN 220 N 0.00 -0.03 0.00 0.00 5.75 -1.10 -3.03 115.11 116.70 3ddm h GLN 220 Ca 0.15 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3ddm h GLN 220 Cb 0.69 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.25 3ddm h GLN 220 CO -0.00 0.69 -0.04 0.00 -2.65 0.00 0.00 178.83 176.83 3ddm h ARG 221 N -0.84 0.00 0.00 1.69 3.08 -0.76 -2.18 114.38 115.37 3ddm h ARG 221 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3ddm h ARG 221 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3ddm h ARG 221 CO 0.01 0.04 -0.94 -0.07 -1.07 0.00 0.00 179.97 177.93 3ddm h LEU 222 N 0.00 0.00 -0.58 3.04 3.38 -0.95 -3.39 115.31 116.80 3ddm h LEU 222 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3ddm h LEU 222 Cb 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3ddm h LEU 222 CO 0.00 0.48 -0.23 0.61 0.09 0.00 0.00 178.44 179.39 3ddm n GLY 223 N 1.29 -1.20 0.23 0.83 0.00 -0.82 0.48 105.19 106.01 3ddm n GLY 223 Ca -0.03 0.65 0.14 0.00 0.00 0.00 0.00 46.02 46.77 3ddm n GLY 223 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ddm h PRO 224 N 0.00 0.00 0.00 1.61 0.13 -1.79 -0.48 132.00 131.47 3ddm h PRO 224 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3ddm h PRO 224 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3ddm h PRO 224 CO -0.58 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.19 3ddm n ALA 225 N -1.82 2.21 -3.65 -0.56 0.00 0.18 -4.93 120.51 111.93 3ddm n ALA 225 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 3ddm n ALA 225 Cb 0.14 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.20 3ddm n ALA 225 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ddm n GLN 226 N -1.66 -4.23 -2.24 0.00 1.13 -0.19 -4.91 117.38 105.28 3ddm n GLN 226 Ca 0.06 0.63 -0.35 0.00 -1.94 0.00 0.00 57.00 55.40 3ddm n GLN 226 Cb 0.33 -5.12 0.00 0.00 0.11 0.00 0.00 30.24 25.56 3ddm n GLN 226 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ddm s LEU 227 N -6.52 3.72 0.24 1.08 1.43 -1.26 -4.62 118.68 112.76 3ddm s LEU 227 Ca 0.11 2.12 0.13 0.00 -1.03 0.00 0.00 54.13 55.45 3ddm s LEU 227 Cb -0.03 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 41.68 3ddm s LEU 227 CO 0.81 -1.20 1.43 0.44 0.23 0.00 0.00 176.35 178.06 3ddm h ASP 228 N 1.12 0.00 -3.88 2.29 5.19 -0.63 -3.45 116.42 117.06 3ddm h ASP 228 Ca -0.50 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.09 3ddm h ASP 228 Cb 1.25 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.54 3ddm h ASP 228 CO 0.57 0.63 0.74 -1.66 -3.12 0.00 0.00 179.24 176.40 3ddm s TRP 229 N -2.97 -0.20 -0.29 4.55 -2.14 -1.26 -4.35 118.94 112.27 3ddm s TRP 229 Ca 0.03 0.28 -0.06 0.00 2.66 0.00 0.00 56.10 59.00 3ddm s TRP 229 Cb 0.09 0.49 0.01 0.00 -3.10 0.00 0.00 33.47 30.96 3ddm s TRP 229 CO 0.76 -0.22 0.07 -1.17 -2.66 0.00 0.00 176.95 173.72 3ddm s LEU 230 N -1.47 3.83 -0.06 -4.66 0.20 -0.06 -2.58 118.68 113.88 3ddm s LEU 230 Ca 0.05 -0.77 -0.18 0.00 0.69 0.00 0.00 54.13 53.92 3ddm s LEU 230 Cb -0.01 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 3ddm s LEU 230 CO -0.04 -0.20 0.51 -0.70 -0.29 0.00 0.00 176.35 175.63 3ddm s GLU 231 N 1.47 4.27 -1.39 1.98 2.12 0.30 -1.30 118.70 126.15 3ddm s GLU 231 Ca 0.02 0.55 -0.17 0.00 0.36 0.00 0.00 54.97 55.73 3ddm s GLU 231 Cb -0.17 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3ddm s GLU 231 CO 0.02 0.32 0.33 0.39 -0.54 0.00 0.00 175.26 175.78 3ddm n GLU 232 N 3.04 -0.62 0.24 4.30 1.02 -0.47 -0.95 120.64 127.19 3ddm n GLU 232 Ca -0.08 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3ddm n GLU 232 Cb 0.51 -3.06 0.63 0.00 -0.02 0.00 0.00 31.44 29.50 3ddm n GLU 232 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3ddm h PRO 233 N -2.22 0.00 -5.64 3.49 0.13 -1.84 0.75 132.00 126.67 3ddm h PRO 233 Ca -0.69 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 63.93 3ddm h PRO 233 Cb 1.40 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 3ddm h PRO 233 CO 0.62 0.16 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.35 3ddm s LEU 234 N -7.68 2.54 0.40 1.56 1.43 -1.26 -2.93 118.68 112.74 3ddm s LEU 234 Ca -0.03 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 51.67 3ddm s LEU 234 Cb 0.14 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.54 3ddm s LEU 234 CO 0.63 -0.25 1.30 -0.13 0.23 0.00 0.00 176.35 178.12 3ddm s ARG 235 N -3.68 3.99 0.62 1.70 0.52 -1.26 -4.25 118.95 116.59 3ddm s ARG 235 Ca 0.29 2.15 0.36 0.00 -0.52 0.00 0.00 55.73 58.00 3ddm s ARG 235 Cb 0.02 -2.77 1.96 0.00 0.52 0.00 0.00 34.95 34.67 3ddm s ARG 235 CO 0.12 -0.47 2.10 0.00 0.02 0.00 0.00 175.30 177.06 3ddm h ALA 236 N 2.71 1.13 -0.32 2.13 0.00 -1.95 -2.08 119.26 120.89 3ddm h ALA 236 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3ddm h ALA 236 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ddm h ALA 236 CO 0.63 -0.13 -0.08 -0.44 0.00 0.00 0.00 179.25 179.23 3ddm h ASP 237 N 0.00 0.63 -0.84 0.00 3.32 -1.93 -3.47 116.42 114.12 3ddm h ASP 237 Ca 0.00 -0.37 -0.53 0.00 0.02 0.00 0.00 57.03 56.16 3ddm h ASP 237 Cb 0.27 -0.17 0.09 0.00 0.22 0.00 0.00 39.33 39.74 3ddm h ASP 237 CO 0.00 0.85 -0.45 0.54 -1.72 0.00 0.00 179.24 178.46 3ddm n ARG 238 N -4.45 0.00 -1.52 3.56 5.12 -0.78 -4.90 116.66 113.69 3ddm n ARG 238 Ca -0.03 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.56 3ddm n ARG 238 Cb 0.33 -0.79 0.08 0.00 -1.16 0.00 0.00 32.46 30.92 3ddm n ARG 238 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3ddm s PRO 239 N -0.79 2.35 0.40 5.56 0.02 -1.26 -4.88 135.00 136.40 3ddm s PRO 239 Ca 0.50 1.56 0.17 0.00 0.02 0.00 0.00 61.00 63.26 3ddm s PRO 239 Cb -0.71 -1.88 1.07 0.00 0.02 0.00 0.00 34.50 33.00 3ddm s PRO 239 CO 0.45 -1.63 1.80 0.00 -0.33 0.00 0.00 177.00 177.29 3ddm h ALA 240 N -0.29 2.18 -0.80 -1.55 0.00 -1.98 -0.94 119.26 115.88 3ddm h ALA 240 Ca -0.47 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.57 3ddm h ALA 240 Cb 1.27 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3ddm h ALA 240 CO 0.51 -0.54 0.52 0.00 0.00 0.00 0.00 179.25 179.74 3ddm h ALA 241 N 1.61 1.67 -0.09 0.00 0.00 -1.99 0.15 119.26 120.62 3ddm h ALA 241 Ca 0.55 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.26 3ddm h ALA 241 Cb 1.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ddm h ALA 241 CO -0.26 0.19 -0.73 0.93 0.00 0.00 0.00 179.25 179.38 3ddm h GLU 242 N 0.82 0.46 -0.20 0.00 5.08 -1.52 -1.75 114.58 117.46 3ddm h GLU 242 Ca 0.36 -0.37 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3ddm h GLU 242 Cb 0.32 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3ddm h GLU 242 CO -0.13 1.00 -0.58 -1.49 -1.00 0.00 0.00 179.01 176.81 3ddm h TRP 243 N 0.32 0.97 -0.71 4.33 4.06 -1.39 -1.44 115.95 122.09 3ddm h TRP 243 Ca -0.03 -0.39 -0.01 0.00 2.06 0.00 0.00 58.89 60.53 3ddm h TRP 243 Cb 1.31 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 29.27 3ddm h TRP 243 CO 0.05 1.20 0.42 0.00 -3.56 0.00 0.00 178.44 176.54 3ddm h ALA 244 N 0.59 0.90 -0.04 1.49 0.00 -0.71 0.71 119.26 122.20 3ddm h ALA 244 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ddm h ALA 244 Cb 1.20 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ddm h ALA 244 CO 0.12 0.39 -0.01 1.49 0.00 0.00 0.00 179.25 181.24 3ddm h GLU 245 N 0.97 0.08 -0.68 0.00 4.81 -1.26 -2.89 114.58 115.61 3ddm h GLU 245 Ca 0.25 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3ddm h GLU 245 Cb -0.01 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3ddm h GLU 245 CO -0.05 0.41 0.44 1.25 -0.73 0.00 0.00 179.01 180.33 3ddm h LEU 246 N -0.26 0.75 -0.91 1.64 5.85 -1.09 -2.16 115.31 119.13 3ddm h LEU 246 Ca 0.01 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.83 3ddm h LEU 246 Cb 0.38 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3ddm h LEU 246 CO 0.00 0.53 0.54 0.00 -0.34 0.00 0.00 178.44 179.18 3ddm h ALA 247 N 1.27 1.34 -0.22 1.25 0.00 -0.83 0.14 119.26 122.21 3ddm h ALA 247 Ca 0.26 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3ddm h ALA 247 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3ddm h ALA 247 CO -0.07 0.15 -0.58 1.96 0.00 0.00 0.00 179.25 180.71 3ddm h GLN 248 N 0.88 0.69 0.00 0.00 4.20 -1.23 -3.19 115.11 116.46 3ddm h GLN 248 Ca 0.45 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3ddm h GLN 248 Cb 0.43 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3ddm h GLN 248 CO -0.26 1.08 -0.17 0.00 -0.67 0.00 0.00 178.83 178.80 3ddm h ALA 249 N 0.82 0.91 -2.70 3.87 0.00 -0.73 -3.45 119.26 117.98 3ddm h ALA 249 Ca 0.00 -0.16 -0.50 0.00 0.00 0.00 0.00 54.91 54.26 3ddm h ALA 249 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3ddm h ALA 249 CO 0.12 0.22 0.38 0.00 0.00 0.00 0.00 179.25 179.96 3ddm s ALA 250 N -3.26 3.33 0.13 0.00 0.00 0.41 -4.80 121.76 117.57 3ddm s ALA 250 Ca 0.05 0.66 0.14 0.00 0.00 0.00 0.00 51.96 52.80 3ddm s ALA 250 Cb 0.07 -3.25 0.33 0.00 0.00 0.00 0.00 23.12 20.26 3ddm s ALA 250 CO 0.67 0.07 1.57 -1.35 0.00 0.00 0.00 175.76 176.72 3ddm h PRO 251 N 4.56 0.00 -6.14 0.00 0.11 -1.88 -3.45 132.00 125.19 3ddm h PRO 251 Ca -0.45 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.12 3ddm h PRO 251 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3ddm h PRO 251 CO 0.69 0.57 -0.58 0.00 -0.21 0.00 0.00 178.00 178.47 3ddm s MET 252 N -3.33 2.39 0.66 1.05 0.23 -1.26 -5.09 119.30 113.95 3ddm s MET 252 Ca 0.01 -1.46 -0.12 0.00 -1.03 0.00 0.00 55.69 53.09 3ddm s MET 252 Cb 0.11 -2.20 -0.01 0.00 -1.53 0.00 0.00 34.83 31.20 3ddm s MET 252 CO 0.74 0.24 1.06 -1.25 -2.03 0.00 0.00 175.02 173.77 3ddm s PRO 253 N -3.78 3.05 0.08 3.16 0.04 -1.26 -4.82 135.00 131.47 3ddm s PRO 253 Ca 0.35 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 3ddm s PRO 253 Cb -0.04 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3ddm s PRO 253 CO 0.22 -1.02 0.29 -0.51 0.04 0.00 0.00 177.00 176.02 3ddm s LEU 254 N -5.21 4.33 0.08 -3.56 1.02 -1.26 -0.88 118.68 113.20 3ddm s LEU 254 Ca 0.60 0.47 0.05 0.00 0.02 0.00 0.00 54.13 55.26 3ddm s LEU 254 Cb -0.15 -3.02 -0.03 0.00 0.02 0.00 0.00 46.19 43.02 3ddm s LEU 254 CO 0.49 0.15 -0.13 0.00 0.02 0.00 0.00 176.35 176.88 3ddm s ALA 255 N -1.51 1.13 -0.02 4.21 0.00 -0.42 -0.59 121.76 124.56 3ddm s ALA 255 Ca 0.35 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 3ddm s ALA 255 Cb -0.13 -0.05 0.12 0.00 0.00 0.00 0.00 23.12 23.05 3ddm s ALA 255 CO 0.23 0.10 1.22 0.20 0.00 0.00 0.00 175.76 177.51 3ddm s GLY 256 N -1.94 -0.37 0.00 0.00 0.00 -0.81 -1.37 107.32 102.83 3ddm s GLY 256 Ca -0.00 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3ddm s GLY 256 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.91 3ddm n GLY 257 N -0.41 1.01 0.38 0.20 0.00 -1.26 -0.33 105.19 104.78 3ddm n GLY 257 Ca -0.07 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.16 3ddm n GLY 257 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ddm h GLU 258 N 0.00 0.47 -0.70 1.61 4.22 -1.89 -2.06 114.58 116.23 3ddm h GLU 258 Ca 0.00 -0.03 -0.51 0.00 0.08 0.00 0.00 59.36 58.90 3ddm h GLU 258 Cb 0.00 -0.11 -0.39 0.00 0.50 0.00 0.00 28.75 28.75 3ddm h GLU 258 CO 0.00 0.31 -0.75 0.09 -2.18 0.00 0.00 179.01 176.48 3ddm n ASN 259 N -4.76 4.74 -4.11 1.04 4.13 -1.26 -4.78 115.26 110.25 3ddm n ASN 259 Ca 0.26 -3.76 -0.29 0.00 1.68 0.00 0.00 54.58 52.47 3ddm n ASN 259 Cb 0.82 -0.37 -0.17 0.00 -1.54 0.00 0.00 39.78 38.52 3ddm n ASN 259 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ddm s ILE 260 N -4.49 1.66 0.04 2.41 1.01 -0.78 -4.90 121.20 116.14 3ddm s ILE 260 Ca 0.50 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3ddm s ILE 260 Cb 0.41 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 3ddm s ILE 260 CO 0.03 0.47 -0.07 0.00 0.00 0.00 0.00 174.94 175.37 3ddm s ALA 261 N 0.68 0.51 0.00 9.38 0.00 -1.26 -4.85 121.76 126.21 3ddm s ALA 261 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3ddm s ALA 261 Cb -0.16 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3ddm s ALA 261 CO 0.03 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3ddm n GLY 262 N 1.57 0.54 0.24 0.00 0.00 -1.26 -4.33 105.19 101.95 3ddm n GLY 262 Ca -0.22 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 3ddm n GLY 262 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ddm h VAL 263 N 0.00 1.23 -0.46 1.61 3.04 -1.99 -2.97 116.25 116.71 3ddm h VAL 263 Ca 0.00 -0.77 -0.04 0.00 -1.01 0.00 0.00 66.70 64.88 3ddm h VAL 263 Cb 0.00 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 3ddm h VAL 263 CO 0.00 0.28 0.10 0.00 -1.01 0.00 0.00 177.57 176.94 3ddm h ALA 264 N 1.02 1.32 -0.45 3.17 0.00 -2.00 -2.54 119.26 119.77 3ddm h ALA 264 Ca 0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3ddm h ALA 264 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ddm h ALA 264 CO -0.01 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.59 3ddm h ALA 265 N 1.44 0.90 -0.13 0.00 0.00 -1.72 -2.37 119.26 117.38 3ddm h ALA 265 Ca 0.15 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3ddm h ALA 265 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ddm h ALA 265 CO -0.00 0.63 -0.60 0.74 0.00 0.00 0.00 179.25 180.02 3ddm h PHE 266 N 0.76 0.55 -0.79 0.00 0.04 -1.42 -2.02 116.94 114.06 3ddm h PHE 266 Ca 0.12 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 3ddm h PHE 266 Cb 0.65 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.67 3ddm h PHE 266 CO 0.04 0.92 0.36 0.93 -0.60 0.00 0.00 178.31 179.96 3ddm h GLU 267 N 0.32 1.14 -0.34 1.51 5.08 -1.29 0.25 114.58 121.25 3ddm h GLU 267 Ca -0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3ddm h GLU 267 Cb 1.14 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3ddm h GLU 267 CO 0.10 0.89 0.14 1.15 -1.00 0.00 0.00 179.01 180.30 3ddm h THR 268 N 1.12 1.18 -0.55 1.13 2.02 -1.24 0.56 112.91 117.13 3ddm h THR 268 Ca 0.27 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3ddm h THR 268 Cb 0.14 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3ddm h THR 268 CO -0.03 0.19 0.27 0.00 0.37 0.00 0.00 175.52 176.32 3ddm h ALA 269 N 0.99 0.70 -0.61 6.16 0.00 -0.86 -2.64 119.26 123.01 3ddm h ALA 269 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ddm h ALA 269 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ddm h ALA 269 CO -0.01 0.26 0.20 1.25 0.00 0.00 0.00 179.25 180.95 3ddm h LEU 270 N 0.73 0.87 -2.17 0.00 5.85 -0.18 -1.50 115.31 118.91 3ddm h LEU 270 Ca 0.19 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3ddm h LEU 270 Cb 0.11 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3ddm h LEU 270 CO -0.03 0.84 0.09 0.00 -0.34 0.00 0.00 178.44 179.00 3ddm h ALA 271 N 1.07 1.90 0.02 1.25 0.00 0.47 -3.08 119.26 120.88 3ddm h ALA 271 Ca 0.20 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.74 3ddm h ALA 271 Cb 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ddm h ALA 271 CO -0.01 -0.14 -2.27 0.00 0.00 0.00 0.00 179.25 176.83 3ddm n ALA 272 N -2.45 1.38 -2.27 0.00 0.00 -1.04 -5.00 120.51 111.12 3ddm n ALA 272 Ca -0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 53.44 52.19 3ddm n ALA 272 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 3ddm n ALA 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ddm n ARG 273 N -3.10 -1.51 0.04 0.00 1.74 -0.59 -4.85 116.66 108.40 3ddm n ARG 273 Ca -0.36 0.96 -0.19 0.00 -0.77 0.00 0.00 57.85 57.50 3ddm n ARG 273 Cb 1.06 -5.50 -0.09 0.00 -1.02 0.00 0.00 32.46 26.92 3ddm n ARG 273 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3ddm h SER 274 N 0.00 0.83 -3.38 0.55 0.02 -1.91 -3.41 113.55 106.26 3ddm h SER 274 Ca -0.45 -0.66 -0.58 0.00 -0.84 0.00 0.00 61.79 59.26 3ddm h SER 274 Cb 1.33 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 63.54 3ddm h SER 274 CO 0.54 1.46 0.08 -0.76 -1.14 0.00 0.00 176.83 177.02 3ddm s LEU 275 N -8.04 4.22 0.00 5.07 1.43 -1.26 -4.30 118.68 115.79 3ddm s LEU 275 Ca -0.09 0.96 0.17 0.00 -1.03 0.00 0.00 54.13 54.14 3ddm s LEU 275 Cb 0.07 -2.93 -0.15 0.00 0.03 0.00 0.00 46.19 43.21 3ddm s LEU 275 CO 0.91 -0.18 0.76 0.54 0.23 0.00 0.00 176.35 178.60 3ddm n ARG 276 N 4.43 1.41 -3.89 1.70 1.74 0.24 -4.78 116.66 117.51 3ddm n ARG 276 Ca -0.02 -0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 56.60 3ddm n ARG 276 Cb 0.50 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.48 3ddm n ARG 276 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ddm s VAL 277 N -2.51 1.45 -0.12 1.55 1.01 -0.94 -1.31 120.40 119.54 3ddm s VAL 277 Ca 0.08 -1.48 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 3ddm s VAL 277 Cb 0.13 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3ddm s VAL 277 CO 0.65 -0.38 0.35 -0.04 0.00 0.00 0.00 175.10 175.68 3ddm s MET 278 N 1.38 4.16 -0.56 2.72 -1.94 -0.32 -1.93 119.30 122.81 3ddm s MET 278 Ca 0.03 0.22 0.07 0.00 -1.71 0.00 0.00 55.69 54.29 3ddm s MET 278 Cb -0.18 -3.38 0.29 0.00 2.01 0.00 0.00 34.83 33.57 3ddm s MET 278 CO -0.12 0.34 0.77 1.04 -0.01 0.00 0.00 175.02 177.03 3ddm n GLN 279 N 3.18 2.30 -2.15 2.03 6.02 0.55 -2.79 117.38 126.52 3ddm n GLN 279 Ca -0.12 -4.38 -0.41 0.00 -0.01 0.00 0.00 57.00 52.08 3ddm n GLN 279 Cb 0.52 -2.04 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 3ddm n GLN 279 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ddm s PRO 280 N -2.56 4.35 -0.74 -1.09 0.04 -1.26 -2.71 135.00 131.03 3ddm s PRO 280 Ca 0.42 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 63.40 3ddm s PRO 280 Cb 0.21 -3.17 0.11 0.00 0.04 0.00 0.00 34.50 31.70 3ddm s PRO 280 CO -0.07 -0.31 0.91 0.34 0.04 0.00 0.00 177.00 177.91 3ddm s ASP 281 N 0.37 6.37 0.66 6.66 -1.08 -1.26 -4.76 116.67 123.64 3ddm s ASP 281 Ca 0.58 -1.63 0.32 0.00 -0.52 0.00 0.00 52.55 51.30 3ddm s ASP 281 Cb -0.38 -2.36 1.73 0.00 -1.46 0.00 0.00 42.92 40.45 3ddm s ASP 281 CO 0.39 -1.14 1.97 0.17 0.52 0.00 0.00 175.17 177.09 3ddm h LEU 282 N 10.28 0.00 0.00 -1.34 -0.00 -1.88 0.56 115.31 122.92 3ddm h LEU 282 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 3ddm h LEU 282 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 3ddm h LEU 282 CO 1.09 0.00 -0.63 0.00 -0.00 0.00 0.00 178.44 178.90 3ddm n ALA 283 N -1.91 3.38 -0.06 0.17 0.00 -1.26 -2.21 120.51 118.62 3ddm n ALA 283 Ca -0.02 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 3ddm n ALA 283 Cb 0.33 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 3ddm n ALA 283 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3ddm n LYS 284 N -1.74 0.69 -3.82 0.00 4.81 0.18 -2.23 118.16 116.06 3ddm n LYS 284 Ca 0.04 0.27 -0.12 0.00 -0.87 0.00 0.00 58.31 57.63 3ddm n LYS 284 Cb 0.38 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.68 3ddm n LYS 284 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 3ddm s TRP 285 N -2.52 -0.13 0.00 5.64 -0.00 -0.49 -2.60 118.94 118.84 3ddm s TRP 285 Ca -0.28 0.26 0.00 0.00 -0.00 0.00 0.00 56.10 56.08 3ddm s TRP 285 Cb 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 33.47 33.59 3ddm s TRP 285 CO 0.68 -0.23 0.00 0.41 -0.00 0.00 0.00 176.95 177.80 3ddm n GLY 286 N 2.07 0.76 7.00 5.86 0.00 -1.26 -4.35 105.19 115.27 3ddm n GLY 286 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ddm n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddm n GLY 287 N 0.00 0.43 0.09 -0.02 0.00 -0.94 -1.25 105.19 103.50 3ddm n GLY 287 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 3ddm n GLY 287 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ddm h PHE 288 N 0.00 0.20 -0.94 1.61 0.04 -1.85 0.31 116.94 116.31 3ddm h PHE 288 Ca 0.00 -0.08 0.24 0.00 2.80 0.00 0.00 57.97 60.93 3ddm h PHE 288 Cb 0.00 -0.03 -0.13 0.00 2.20 0.00 0.00 35.95 37.99 3ddm h PHE 288 CO 0.00 0.73 0.46 0.77 -0.60 0.00 0.00 178.31 179.68 3ddm h SER 289 N -0.40 0.44 0.09 2.17 0.02 -1.90 -0.95 113.55 113.02 3ddm h SER 289 Ca -0.00 0.15 -0.28 0.00 -0.84 0.00 0.00 61.79 60.82 3ddm h SER 289 Cb 0.74 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3ddm h SER 289 CO 0.03 0.01 -1.47 1.23 -1.14 0.00 0.00 176.83 175.49 3ddm h GLY 290 N 0.44 0.22 2.00 -3.77 0.00 -1.16 -3.41 103.07 97.39 3ddm h GLY 290 Ca 0.60 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 47.23 3ddm h GLY 290 CO -0.53 0.50 -0.62 0.00 0.00 0.00 0.00 176.54 175.90 3ddm h LEU 292 N 0.00 -0.47 -0.31 0.00 5.85 -1.38 0.21 115.31 119.21 3ddm h LEU 292 Ca -0.01 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3ddm h LEU 292 Cb 1.32 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 3ddm h LEU 292 CO 0.08 -0.29 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.18 3ddm h PRO 293 N -0.44 0.02 -0.29 5.25 0.11 -1.79 0.16 132.00 135.02 3ddm h PRO 293 Ca -0.02 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 3ddm h PRO 293 Cb 0.38 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3ddm h PRO 293 CO 0.01 0.01 -0.18 -0.24 -0.21 0.00 0.00 178.00 177.39 3ddm h VAL 294 N 0.02 1.25 -0.37 3.15 3.04 -1.57 0.60 116.25 122.36 3ddm h VAL 294 Ca 0.15 -1.14 -0.16 0.00 -1.01 0.00 0.00 66.70 64.54 3ddm h VAL 294 Cb 0.22 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 3ddm h VAL 294 CO -0.31 0.37 -0.38 0.00 -1.01 0.00 0.00 177.57 176.24 3ddm h ALA 295 N 1.35 0.55 -0.42 3.17 0.00 0.08 0.47 119.26 124.46 3ddm h ALA 295 Ca 0.08 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3ddm h ALA 295 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ddm h ALA 295 CO 0.04 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.99 3ddm h ARG 296 N 0.73 0.70 -0.67 0.00 3.08 -0.47 -2.04 114.38 115.71 3ddm h ARG 296 Ca 0.06 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 59.94 3ddm h ARG 296 Cb 0.98 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 3ddm h ARG 296 CO 0.09 0.75 0.41 0.00 -1.07 0.00 0.00 179.97 180.16 3ddm h ALA 297 N 0.92 0.88 -0.27 0.04 0.00 -0.70 -0.09 119.26 120.03 3ddm h ALA 297 Ca 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ddm h ALA 297 Cb 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ddm h ALA 297 CO 0.01 0.15 0.16 0.28 0.00 0.00 0.00 179.25 179.86 3ddm h VAL 298 N 0.79 1.10 -0.54 0.00 2.07 -0.64 -0.89 116.25 118.15 3ddm h VAL 298 Ca 0.28 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 3ddm h VAL 298 Cb 0.06 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3ddm h VAL 298 CO -0.12 0.10 -0.10 0.58 0.02 0.00 0.00 177.57 178.05 3ddm h VAL 299 N 0.34 1.27 -0.10 2.57 2.07 -1.01 -1.77 116.25 119.62 3ddm h VAL 299 Ca 0.10 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 3ddm h VAL 299 Cb 0.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3ddm h VAL 299 CO -0.02 0.44 -0.24 0.00 0.02 0.00 0.00 177.57 177.77 3ddm h ALA 300 N 0.98 1.42 0.00 1.67 0.00 -0.86 -2.22 119.26 120.25 3ddm h ALA 300 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ddm h ALA 300 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ddm h ALA 300 CO 0.05 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3ddm n ALA 301 N -2.48 2.43 -1.15 0.00 0.00 -0.35 -4.84 120.51 114.11 3ddm n ALA 301 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 3ddm n ALA 301 Cb 0.34 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3ddm n ALA 301 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddm n GLY 302 N 0.45 0.53 3.64 0.00 0.00 -0.83 -5.05 105.19 103.93 3ddm n GLY 302 Ca 0.02 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 3ddm n GLY 302 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddm s LEU 303 N -0.53 3.00 0.10 0.99 1.43 -0.70 -4.94 118.68 118.04 3ddm s LEU 303 Ca 0.00 -0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 3ddm s LEU 303 Cb 0.00 -1.38 -0.07 0.00 0.03 0.00 0.00 46.19 44.77 3ddm s LEU 303 CO 0.00 -0.23 0.58 -0.13 0.23 0.00 0.00 176.35 176.80 3ddm s ARG 304 N -3.72 4.18 -0.36 1.70 0.52 -0.42 -3.80 118.95 117.05 3ddm s ARG 304 Ca 0.35 0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 56.26 3ddm s ARG 304 Cb -0.00 -3.16 0.09 0.00 0.52 0.00 0.00 34.95 32.39 3ddm s ARG 304 CO 0.19 0.60 0.10 -0.47 0.02 0.00 0.00 175.30 175.74 3ddm s TYR 305 N -1.20 3.51 -0.44 -0.53 5.04 -1.26 -1.17 117.35 121.30 3ddm s TYR 305 Ca 0.31 -2.34 0.03 0.00 -2.44 0.00 0.00 57.07 52.63 3ddm s TYR 305 Cb -0.19 -2.78 0.12 0.00 0.35 0.00 0.00 41.96 39.47 3ddm s TYR 305 CO 0.19 -0.91 0.19 0.00 -1.34 0.00 0.00 175.55 173.69 3ddm s PRO 307 N 0.34 2.03 -0.27 0.00 0.04 -1.23 -4.54 135.00 131.37 3ddm s PRO 307 Ca 0.15 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 3ddm s PRO 307 Cb -0.23 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.45 3ddm s PRO 307 CO -0.04 -1.62 0.74 -3.38 0.04 0.00 0.00 177.00 172.73 3ddm s HIS 308 N -3.27 -0.78 -0.10 0.56 -3.43 -1.26 -0.89 115.29 106.12 3ddm s HIS 308 Ca 0.61 1.89 -0.00 0.00 -0.80 0.00 0.00 55.06 56.76 3ddm s HIS 308 Cb -0.13 0.28 0.02 0.00 -1.43 0.00 0.00 32.58 31.32 3ddm s HIS 308 CO 0.53 -0.37 -0.07 -0.47 -2.00 0.00 0.00 174.74 172.35 3ddm s TYR 309 N 0.39 1.37 -0.22 0.38 5.04 -1.02 -4.88 117.35 118.41 3ddm s TYR 309 Ca 0.00 -0.64 0.15 0.00 -2.44 0.00 0.00 57.07 54.14 3ddm s TYR 309 Cb -0.05 -1.15 0.72 0.00 0.35 0.00 0.00 41.96 41.83 3ddm s TYR 309 CO 0.00 -0.46 1.63 1.28 -1.34 0.00 0.00 175.55 176.67 3ddm n LEU 310 N 4.82 5.07 0.00 6.97 7.99 -1.26 -4.01 117.00 136.58 3ddm n LEU 310 Ca -0.13 -2.98 0.00 0.00 -0.01 0.00 0.00 56.01 52.89 3ddm n LEU 310 Cb 0.50 -0.64 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 3ddm n LEU 310 CO 0.17 0.65 0.00 0.61 -1.51 0.00 0.00 177.39 177.31 3ddm n GLY 311 N 0.18 1.83 3.95 -0.72 0.00 -1.26 -4.95 105.19 104.22 3ddm n GLY 311 Ca 0.26 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 3ddm n GLY 311 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm s ALA 312 N -3.08 2.49 0.22 4.61 0.00 -1.26 -4.54 121.76 120.20 3ddm s ALA 312 Ca 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 3ddm s ALA 312 Cb 0.00 -2.58 0.19 0.00 0.00 0.00 0.00 23.12 20.73 3ddm s ALA 312 CO 0.00 -2.36 1.88 0.78 0.00 0.00 0.00 175.76 176.06 3ddm h GLY 313 N -1.50 1.20 0.55 0.00 0.00 -1.29 -2.95 103.07 99.07 3ddm h GLY 313 Ca -0.42 -0.48 0.05 0.00 0.00 0.00 0.00 47.33 46.48 3ddm h GLY 313 CO 0.34 0.46 -0.00 -2.22 0.00 0.00 0.00 176.54 175.12 3ddm h ILE 314 N 1.14 0.79 -0.53 2.60 1.08 -1.85 0.11 117.51 120.86 3ddm h ILE 314 Ca 0.30 -0.03 -0.06 0.00 -0.39 0.00 0.00 64.86 64.69 3ddm h ILE 314 Cb -0.08 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3ddm h ILE 314 CO -0.06 0.01 0.09 1.23 -0.69 0.00 0.00 178.15 178.74 3ddm h GLY 315 N 0.08 0.89 0.89 5.37 0.00 -1.90 -0.84 103.07 107.57 3ddm h GLY 315 Ca 0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3ddm h GLY 315 CO -0.23 0.50 0.04 -2.00 0.00 0.00 0.00 176.54 174.85 3ddm h LEU 316 N 0.79 0.51 -0.83 3.11 5.85 -1.20 -1.61 115.31 121.95 3ddm h LEU 316 Ca 0.17 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3ddm h LEU 316 Cb 0.34 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3ddm h LEU 316 CO 0.00 0.66 0.48 1.56 -0.34 0.00 0.00 178.44 180.80 3ddm h GLN 317 N 0.35 1.14 -0.84 1.25 1.08 -0.53 -0.85 115.11 116.71 3ddm h GLN 317 Ca 0.09 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 3ddm h GLN 317 Cb 0.37 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 3ddm h GLN 317 CO 0.01 0.82 0.56 0.00 -0.95 0.00 0.00 178.83 179.27 3ddm h ALA 318 N 1.25 1.45 -0.22 3.87 0.00 -0.89 -1.65 119.26 123.07 3ddm h ALA 318 Ca 0.29 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3ddm h ALA 318 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3ddm h ALA 318 CO -0.05 0.48 -0.57 0.77 0.00 0.00 0.00 179.25 179.88 3ddm h SER 319 N 1.09 0.76 -0.84 0.00 0.02 -0.51 -2.64 113.55 111.42 3ddm h SER 319 Ca 0.33 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3ddm h SER 319 Cb -0.03 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 3ddm h SER 319 CO -0.09 1.17 0.41 0.00 -1.14 0.00 0.00 176.83 177.18 3ddm h ALA 320 N 0.84 1.09 -0.49 3.77 0.00 -0.54 -1.28 119.26 122.65 3ddm h ALA 320 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3ddm h ALA 320 Cb 1.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3ddm h ALA 320 CO 0.12 0.65 0.07 0.45 0.00 0.00 0.00 179.25 180.54 3ddm h HIS 321 N 1.20 0.88 -0.26 0.00 3.86 -1.24 -1.55 115.15 118.03 3ddm h HIS 321 Ca 0.29 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3ddm h HIS 321 Cb 0.12 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3ddm h HIS 321 CO 0.01 0.80 0.12 1.25 0.86 0.00 0.00 177.93 180.98 3ddm h LEU 322 N 0.70 0.34 -1.62 2.43 5.85 -1.14 -1.27 115.31 120.60 3ddm h LEU 322 Ca 0.15 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3ddm h LEU 322 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ddm h LEU 322 CO 0.01 0.38 0.29 0.25 -0.34 0.00 0.00 178.44 179.02 3ddm h LEU 323 N 0.28 0.43 -0.53 2.25 5.85 -1.11 -0.33 115.31 122.16 3ddm h LEU 323 Ca 0.09 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.65 3ddm h LEU 323 Cb 0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3ddm h LEU 323 CO -0.01 0.31 -0.40 0.00 -0.34 0.00 0.00 178.44 177.99 3ddm h ALA 324 N 1.75 0.71 0.00 1.25 0.00 -0.80 -2.38 119.26 119.78 3ddm h ALA 324 Ca 0.17 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3ddm h ALA 324 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ddm h ALA 324 CO -0.04 0.66 -0.31 0.00 0.00 0.00 0.00 179.25 179.57 3ddm h ALA 325 N 0.94 1.05 -2.13 0.00 0.00 -0.04 -3.30 119.26 115.78 3ddm h ALA 325 Ca 0.05 -0.28 -0.58 0.00 0.00 0.00 0.00 54.91 54.10 3ddm h ALA 325 Cb 0.95 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.29 3ddm h ALA 325 CO 0.09 0.38 -0.78 0.28 0.00 0.00 0.00 179.25 179.22 3ddm n VAL 326 N -3.54 1.32 -0.27 0.00 0.31 -0.26 -4.50 118.33 111.39 3ddm n VAL 326 Ca -0.00 -4.82 0.08 0.00 -0.01 0.00 0.00 64.34 59.59 3ddm n VAL 326 Cb 0.45 -1.98 0.23 0.00 -0.91 0.00 0.00 33.84 31.63 3ddm n VAL 326 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ddm h PRO 327 N 4.03 0.35 0.00 5.55 0.13 -1.52 -3.44 132.00 137.10 3ddm h PRO 327 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ddm h PRO 327 Cb 0.73 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3ddm h PRO 327 CO 0.70 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 179.12 3ddm n GLY 328 N -1.34 2.98 1.09 1.56 0.00 -1.26 -2.44 105.19 105.78 3ddm n GLY 328 Ca 0.17 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3ddm n GLY 328 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddm n LEU 329 N 0.00 0.74 0.00 0.99 4.77 -1.26 -4.85 117.00 117.39 3ddm n LEU 329 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3ddm n LEU 329 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3ddm n LEU 329 CO 0.00 -0.69 0.44 0.00 -1.33 0.00 0.00 177.39 175.81 3ddm n ALA 330 N -3.21 -0.31 -3.17 -1.18 0.00 -1.26 -4.74 120.51 106.63 3ddm n ALA 330 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3ddm n ALA 330 Cb 0.00 0.08 -0.17 0.00 0.00 0.00 0.00 19.45 19.36 3ddm n ALA 330 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ddm s SER 331 N -2.17 2.73 0.04 0.00 0.01 -1.26 -5.10 113.70 107.94 3ddm s SER 331 Ca 0.00 -0.48 -0.36 0.00 1.31 0.00 0.00 55.95 56.42 3ddm s SER 331 Cb 0.00 -1.14 -0.15 0.00 0.21 0.00 0.00 66.02 64.94 3ddm s SER 331 CO 0.00 0.15 1.50 -2.65 0.41 0.00 0.00 173.24 172.65 3ddm n PRO 332 N 3.47 1.49 -2.43 12.44 -0.02 -1.26 -4.76 135.00 143.93 3ddm n PRO 332 Ca -0.19 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.46 3ddm n PRO 332 Cb 0.53 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 3ddm n PRO 332 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ddm s GLY 333 N 1.33 2.71 -0.07 -1.23 0.00 -1.02 -4.99 107.32 104.05 3ddm s GLY 333 Ca 0.86 0.77 0.04 0.00 0.00 0.00 0.00 44.72 46.39 3ddm s GLY 333 CO 0.48 1.19 -0.19 1.08 0.00 0.00 0.00 173.10 175.65 3ddm s LEU 334 N -2.99 1.93 -0.16 0.66 1.43 -1.26 -4.18 118.68 114.10 3ddm s LEU 334 Ca 0.62 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 3ddm s LEU 334 Cb -0.23 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3ddm s LEU 334 CO 0.29 0.14 0.49 -0.22 0.23 0.00 0.00 176.35 177.28 3ddm s LEU 335 N 0.24 4.20 -0.04 1.79 1.98 -0.43 -3.52 118.68 122.91 3ddm s LEU 335 Ca -0.11 0.72 -0.21 0.00 -2.89 0.00 0.00 54.13 51.65 3ddm s LEU 335 Cb -0.15 -2.69 -0.05 0.00 0.66 0.00 0.00 46.19 43.97 3ddm s LEU 335 CO 0.05 -0.09 0.60 -0.83 -1.89 0.00 0.00 176.35 174.19 3ddm s GLY 336 N 0.91 2.57 -0.08 7.98 0.00 -0.07 -1.46 107.32 117.19 3ddm s GLY 336 Ca 0.24 0.02 0.04 0.00 0.00 0.00 0.00 44.72 45.03 3ddm s GLY 336 CO 0.10 0.88 -0.21 0.14 0.00 0.00 0.00 173.10 174.01 3ddm s VAL 337 N 0.25 2.36 -0.03 1.40 1.01 -0.26 -2.44 120.40 122.69 3ddm s VAL 337 Ca 0.32 -0.94 -0.37 0.00 0.00 0.00 0.00 61.98 60.99 3ddm s VAL 337 Cb -0.17 -1.90 -0.15 0.00 0.00 0.00 0.00 36.38 34.15 3ddm s VAL 337 CO 0.16 0.56 1.58 -0.67 0.00 0.00 0.00 175.10 176.73 3ddm n ASP 338 N 3.08 2.37 0.14 3.32 -0.08 -1.26 -0.02 116.55 124.11 3ddm n ASP 338 Ca -0.18 1.08 -0.00 0.00 -1.51 0.00 0.00 54.79 54.18 3ddm n ASP 338 Cb 0.52 -1.24 0.16 0.00 2.34 0.00 0.00 41.12 42.90 3ddm n ASP 338 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ddm h ALA 339 N 6.22 0.87 -2.28 -1.67 0.00 -1.22 -3.44 119.26 117.75 3ddm h ALA 339 Ca -0.47 -0.55 -0.49 0.00 0.00 0.00 0.00 54.91 53.40 3ddm h ALA 339 Cb 1.31 -0.10 0.04 0.00 0.00 0.00 0.00 17.79 19.04 3ddm h ALA 339 CO 0.87 0.76 0.36 -0.80 0.00 0.00 0.00 179.25 180.44 3ddm s ASN 340 N -6.70 6.43 0.17 0.00 -0.87 -1.26 -5.02 114.94 107.69 3ddm s ASN 340 Ca -0.00 1.44 -0.30 0.00 -1.57 0.00 0.00 52.86 52.42 3ddm s ASN 340 Cb 0.12 -2.46 -0.08 0.00 -0.02 0.00 0.00 41.25 38.80 3ddm s ASN 340 CO 0.75 -0.70 1.28 -1.81 -2.57 0.00 0.00 177.10 174.05 3ddm s ASP 341 N -3.61 6.96 -0.29 -1.22 1.01 -1.26 -5.00 116.67 113.24 3ddm s ASP 341 Ca 0.56 2.31 0.02 0.00 0.71 0.00 0.00 52.55 56.15 3ddm s ASP 341 Cb -0.10 -2.60 0.20 0.00 1.01 0.00 0.00 42.92 41.42 3ddm s ASP 341 CO 0.42 -0.49 0.64 0.21 0.21 0.00 0.00 175.17 176.15 3ddm s ASN 342 N 0.43 -1.45 0.51 0.27 3.04 -1.26 -5.03 114.94 111.45 3ddm s ASN 342 Ca 0.57 0.41 0.18 0.00 0.04 0.00 0.00 52.86 54.06 3ddm s ASN 342 Cb -0.35 2.02 1.26 0.00 -1.54 0.00 0.00 41.25 42.64 3ddm s ASN 342 CO 0.36 -0.27 2.08 -0.65 -3.04 0.00 0.00 177.10 175.58 3ddm h PRO 343 N 7.96 0.07 0.00 0.43 0.11 -1.97 0.05 132.00 138.64 3ddm h PRO 343 Ca -0.09 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3ddm h PRO 343 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ddm h PRO 343 CO 0.16 0.05 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.93 3ddm h LEU 344 N 0.08 0.00 0.01 2.35 3.38 -1.95 0.30 115.31 119.48 3ddm h LEU 344 Ca 0.12 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 3ddm h LEU 344 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3ddm h LEU 344 CO -0.01 0.00 -1.41 -1.14 0.09 0.00 0.00 178.44 175.97 3ddm n ARG 345 N -3.93 0.59 -0.10 1.13 0.63 -0.07 -1.38 116.66 113.53 3ddm n ARG 345 Ca -0.03 0.53 -0.02 0.00 -0.92 0.00 0.00 57.85 57.41 3ddm n ARG 345 Cb 0.09 -1.73 0.21 0.00 0.45 0.00 0.00 32.46 31.48 3ddm n ARG 345 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3ddm h SER 346 N -0.89 0.72 0.62 6.15 0.02 -1.01 -2.35 113.55 116.80 3ddm h SER 346 Ca -0.38 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3ddm h SER 346 Cb 1.40 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3ddm h SER 346 CO -0.19 0.73 0.00 0.18 -1.14 0.00 0.00 176.83 176.40 3ddm n LEU 347 N -4.27 0.00 -0.17 5.07 4.77 0.10 -3.53 117.00 118.97 3ddm n LEU 347 Ca 0.03 0.39 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 3ddm n LEU 347 Cb 0.23 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3ddm n LEU 347 CO 0.40 -0.08 0.45 0.18 -1.33 0.00 0.00 177.39 177.00 3ddm n LEU 348 N -1.39 1.46 -3.38 2.23 4.77 -0.92 -4.90 117.00 114.87 3ddm n LEU 348 Ca 0.09 -2.10 -0.26 0.00 -0.03 0.00 0.00 56.01 53.70 3ddm n LEU 348 Cb 0.23 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3ddm n LEU 348 CO 0.20 0.49 -0.26 -1.54 -1.33 0.00 0.00 177.39 174.95 3ddm n SER 349 N -0.79 0.34 0.31 -1.43 3.41 -0.98 -3.81 113.62 110.66 3ddm n SER 349 Ca 0.08 -2.63 0.21 0.00 -0.26 0.00 0.00 58.87 56.27 3ddm n SER 349 Cb 0.59 -0.61 1.08 0.00 -0.26 0.00 0.00 64.21 65.01 3ddm n SER 349 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3ddm h PRO 350 N 4.99 0.00 0.00 4.33 0.13 -1.90 -2.33 132.00 137.21 3ddm h PRO 350 Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 3ddm h PRO 350 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ddm h PRO 350 CO 0.46 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.17 3ddm h ALA 351 N 2.00 1.51 0.00 -0.56 0.00 -1.93 -1.57 119.26 118.71 3ddm h ALA 351 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ddm h ALA 351 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ddm h ALA 351 CO 0.00 0.07 -0.22 -0.07 0.00 0.00 0.00 179.25 179.04 3ddm h LEU 352 N 0.00 0.00 0.00 0.00 3.38 -1.78 -2.26 115.31 114.65 3ddm h LEU 352 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddm h LEU 352 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3ddm h LEU 352 CO 0.01 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3ddm n ALA 353 N -2.34 1.60 0.67 1.53 0.00 -0.59 -0.94 120.51 120.44 3ddm n ALA 353 Ca -0.01 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3ddm n ALA 353 Cb 0.32 -1.19 0.14 0.00 0.00 0.00 0.00 19.45 18.72 3ddm n ALA 353 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ddm n THR 354 N -1.42 0.21 -1.52 0.00 -2.24 -0.85 -4.95 114.28 103.51 3ddm n THR 354 Ca 0.04 -0.61 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 3ddm n THR 354 Cb 0.12 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 3ddm n THR 354 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3ddm n LEU 355 N 1.34 2.32 -3.70 3.22 7.94 -0.11 -4.63 117.00 123.38 3ddm n LEU 355 Ca 0.15 0.08 -0.16 0.00 -1.11 0.00 0.00 56.01 54.98 3ddm n LEU 355 Cb 0.58 -1.40 -0.16 0.00 0.53 0.00 0.00 43.42 42.97 3ddm n LEU 355 CO 0.15 -0.95 -0.26 -2.28 -1.11 0.00 0.00 177.39 172.94 3ddm s HIS 356 N 9.09 -0.12 -1.13 1.96 2.46 -0.22 -4.87 115.29 122.45 3ddm s HIS 356 Ca 1.07 0.48 -0.04 0.00 0.47 0.00 0.00 55.06 57.03 3ddm s HIS 356 Cb -0.57 -0.23 -0.04 0.00 -0.13 0.00 0.00 32.58 31.62 3ddm s HIS 356 CO 0.39 -0.21 0.94 -1.91 -2.47 0.00 0.00 174.74 171.48 3ddm n GLU 357 N 4.85 -4.17 -1.21 2.88 0.00 -1.26 -2.21 120.64 119.52 3ddm n GLU 357 Ca -0.14 0.83 -0.10 0.00 0.00 0.00 0.00 57.16 57.75 3ddm n GLU 357 Cb 0.50 -5.76 -0.04 0.00 0.00 0.00 0.00 31.44 26.14 3ddm n GLU 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ddm n GLY 358 N -1.22 0.98 3.11 8.31 0.00 -0.57 -4.93 105.19 110.88 3ddm n GLY 358 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3ddm n GLY 358 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ddm s ARG 359 N -2.70 0.67 0.17 1.61 0.52 -0.94 -2.44 118.95 115.85 3ddm s ARG 359 Ca 0.00 -0.98 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 3ddm s ARG 359 Cb 0.00 -0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 3ddm s ARG 359 CO 0.00 0.04 -0.10 0.96 0.02 0.00 0.00 175.30 176.22 3ddm s ILE 360 N -2.14 1.31 -0.04 1.52 -4.36 -0.29 -1.06 121.20 116.15 3ddm s ILE 360 Ca -0.02 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.31 3ddm s ILE 360 Cb -0.05 -1.95 0.00 0.00 1.25 0.00 0.00 42.46 41.71 3ddm s ILE 360 CO -0.01 -0.66 -0.13 0.42 0.24 0.00 0.00 174.94 174.80 3ddm s THR 361 N -3.24 1.08 -0.23 8.37 -4.23 -1.26 -0.75 115.64 115.38 3ddm s THR 361 Ca 0.19 -0.51 0.25 0.00 -1.18 0.00 0.00 61.69 60.44 3ddm s THR 361 Cb 0.02 -0.95 0.31 0.00 1.34 0.00 0.00 72.50 73.23 3ddm s THR 361 CO 0.03 0.32 1.70 -0.07 -0.54 0.00 0.00 174.62 176.07 3ddm h LEU 362 N 6.40 0.00 0.00 4.79 3.38 -1.43 -3.46 115.31 124.99 3ddm h LEU 362 Ca -0.33 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3ddm h LEU 362 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3ddm h LEU 362 CO 0.48 0.07 -0.04 0.61 0.09 0.00 0.00 178.44 179.65 3ddm n GLY 363 N 0.78 -1.83 0.94 0.83 0.00 -1.26 -4.44 105.19 100.21 3ddm n GLY 363 Ca 0.03 -1.32 0.10 0.00 0.00 0.00 0.00 46.02 44.83 3ddm n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddm n GLY 364 N -0.50 1.36 3.64 -0.02 0.00 -1.26 -4.93 105.19 103.49 3ddm n GLY 364 Ca 0.00 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 3ddm n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddm n ALA 365 N 1.21 0.42 -1.71 4.61 0.00 -1.26 -4.15 120.51 119.63 3ddm n ALA 365 Ca 0.15 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.61 3ddm n ALA 365 Cb 0.53 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.87 3ddm n ALA 365 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ddm n PRO 366 N 1.27 1.47 0.00 0.00 -0.04 -1.26 -3.82 135.00 132.62 3ddm n PRO 366 Ca 0.10 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 3ddm n PRO 366 Cb 0.31 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 3ddm n PRO 366 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ddm n GLY 367 N 0.89 3.56 0.23 0.55 0.00 0.16 -1.87 105.19 108.71 3ddm n GLY 367 Ca 0.12 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.18 3ddm n GLY 367 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ddm h LEU 368 N 0.00 0.00 0.00 0.99 3.38 -1.87 0.21 115.31 118.02 3ddm h LEU 368 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddm h LEU 368 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ddm h LEU 368 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3ddm n GLY 369 N 0.25 0.68 3.42 0.83 0.00 -0.78 -4.84 105.19 104.75 3ddm n GLY 369 Ca 0.02 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 3ddm n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddm s VAL 370 N -2.00 0.02 -0.11 1.61 0.11 -1.26 -4.90 120.40 113.87 3ddm s VAL 370 Ca 0.00 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 3ddm s VAL 370 Cb 0.00 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 3ddm s VAL 370 CO 0.00 -0.09 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.69 3ddm s THR 371 N -1.31 1.12 0.70 5.04 2.01 -1.26 -4.98 115.64 116.96 3ddm s THR 371 Ca -0.12 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 3ddm s THR 371 Cb -0.02 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3ddm s THR 371 CO 0.07 0.38 1.17 -2.16 -0.69 0.00 0.00 174.62 173.39 3ddm s PRO 372 N 1.44 2.42 -0.80 4.92 0.04 -1.26 -4.97 135.00 136.79 3ddm s PRO 372 Ca 0.00 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 3ddm s PRO 372 Cb -0.13 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.72 3ddm s PRO 372 CO -0.06 -1.59 0.66 0.34 0.04 0.00 0.00 177.00 176.39 3ddm s ASP 373 N -2.23 5.62 0.18 6.66 -1.08 -1.26 -4.95 116.67 119.61 3ddm s ASP 373 Ca 0.71 -3.56 -0.20 0.00 -0.52 0.00 0.00 52.55 48.98 3ddm s ASP 373 Cb -0.26 -1.85 0.10 0.00 -1.46 0.00 0.00 42.92 39.46 3ddm s ASP 373 CO 0.43 -0.20 1.61 -0.07 0.52 0.00 0.00 175.17 177.46 3ddm h LEU 374 N 6.12 -0.90 -0.34 -1.34 3.38 -1.98 0.29 115.31 120.53 3ddm h LEU 374 Ca 0.12 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.35 3ddm h LEU 374 Cb 0.83 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 3ddm h LEU 374 CO 0.80 -0.28 -0.23 0.00 0.09 0.00 0.00 178.44 178.82 3ddm h ALA 375 N 1.01 -0.03 0.08 1.53 0.00 -2.00 -0.05 119.26 119.80 3ddm h ALA 375 Ca 0.20 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ddm h ALA 375 Cb 0.50 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ddm h ALA 375 CO -0.55 -0.62 -0.04 0.00 0.00 0.00 0.00 179.25 178.04 3ddm h ALA 376 N 0.96 -0.10 -0.68 0.00 0.00 -1.68 -2.56 119.26 115.21 3ddm h ALA 376 Ca 0.17 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3ddm h ALA 376 Cb 0.46 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3ddm h ALA 376 CO -0.46 -0.56 0.30 -0.07 0.00 0.00 0.00 179.25 178.47 3ddm h LEU 377 N -0.10 0.36 -0.68 0.00 3.38 0.17 -0.39 115.31 118.04 3ddm h LEU 377 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ddm h LEU 377 Cb 0.08 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ddm h LEU 377 CO 0.02 0.20 0.41 0.03 0.09 0.00 0.00 178.44 179.18 3ddm h ARG 378 N 0.51 0.92 -0.91 1.13 3.08 -0.93 -1.95 114.38 116.24 3ddm h ARG 378 Ca 0.34 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3ddm h ARG 378 Cb 0.40 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3ddm h ARG 378 CO -0.30 0.66 0.51 0.00 -1.07 0.00 0.00 179.97 179.77 3ddm h ALA 379 N 1.21 1.18 0.00 0.04 0.00 -0.89 -0.91 119.26 119.90 3ddm h ALA 379 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ddm h ALA 379 Cb -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 3ddm h ALA 379 CO -0.05 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 3ddm h ALA 380 N 1.29 1.03 -0.02 0.00 0.00 -0.46 -3.51 119.26 117.59 3ddm h ALA 380 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3ddm h ALA 380 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ddm h ALA 380 CO -0.05 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.23