#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ije n ASN 2 N 0.00 2.39 -4.68 5.98 6.94 -1.26 -4.95 115.26 119.68 3ije n ASN 2 Ca 0.00 -2.29 -0.42 0.00 -0.02 0.00 0.00 54.58 51.85 3ije n ASN 2 Cb 0.00 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.22 3ije n ASN 2 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ije s LEU 3 N -1.50 4.30 -0.18 -4.53 1.02 -1.26 0.34 118.68 116.87 3ije s LEU 3 Ca 0.14 2.09 -0.29 0.00 0.02 0.00 0.00 54.13 56.09 3ije s LEU 3 Cb 0.10 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.73 3ije s LEU 3 CO 0.04 -0.78 1.64 -0.62 0.02 0.00 0.00 176.35 176.65 3ije s ASP 4 N 2.25 6.42 0.00 2.29 -1.08 -0.90 -4.86 116.67 120.79 3ije s ASP 4 Ca 0.65 1.77 0.14 0.00 -0.52 0.00 0.00 52.55 54.59 3ije s ASP 4 Cb -0.31 -2.53 0.10 0.00 -1.46 0.00 0.00 42.92 38.73 3ije s ASP 4 CO 0.26 -1.20 0.93 0.52 0.52 0.00 0.00 175.17 176.20 3ije n VAL 5 N 6.22 0.00 0.02 1.11 0.31 -1.26 -4.29 118.33 120.45 3ije n VAL 5 Ca 0.19 -0.49 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 3ije n VAL 5 Cb 0.45 1.28 -0.12 0.00 -0.91 0.00 0.00 33.84 34.54 3ije n VAL 5 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ije h ASP 6 N 2.66 0.57 -2.05 4.52 3.45 -2.00 -3.41 116.42 120.15 3ije h ASP 6 Ca 0.00 -0.80 -0.51 0.00 0.43 0.00 0.00 57.03 56.15 3ije h ASP 6 Cb 0.57 -0.18 -0.40 0.00 -0.56 0.00 0.00 39.33 38.76 3ije h ASP 6 CO 0.00 1.30 -1.08 -0.24 -1.57 0.00 0.00 179.24 177.65 3ije n SER 7 N -4.15 1.45 -4.84 6.45 2.88 -1.26 -5.10 113.62 109.05 3ije n SER 7 Ca -0.11 -3.10 -0.32 0.00 -1.33 0.00 0.00 58.87 54.01 3ije n SER 7 Cb 0.74 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 3ije n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3ije s PRO 8 N -2.47 3.74 0.01 -1.46 0.04 -1.26 -4.95 135.00 128.66 3ije s PRO 8 Ca 0.41 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 3ije s PRO 8 Cb 0.31 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 3ije s PRO 8 CO -0.09 -0.45 0.90 0.00 0.04 0.00 0.00 177.00 177.40 3ije s ALA 9 N -2.71 3.23 -0.17 8.56 0.00 -0.28 -4.90 121.76 125.49 3ije s ALA 9 Ca 0.59 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 3ije s ALA 9 Cb -0.11 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3ije s ALA 9 CO 0.37 -0.14 -0.13 -1.21 0.00 0.00 0.00 175.76 174.66 3ije s GLU 10 N 0.69 3.27 0.14 0.00 2.02 -1.26 -0.57 118.70 122.98 3ije s GLU 10 Ca 0.47 -0.71 0.11 0.00 0.02 0.00 0.00 54.97 54.86 3ije s GLU 10 Cb -0.21 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 3ije s GLU 10 CO 0.26 -0.01 -0.26 0.71 0.02 0.00 0.00 175.26 175.98 3ije s TYR 11 N 0.92 2.27 -0.11 1.61 1.51 0.19 -4.91 117.35 118.83 3ije s TYR 11 Ca -0.03 -0.38 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 3ije s TYR 11 Cb -0.15 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 3ije s TYR 11 CO -0.01 0.35 0.34 -1.54 -1.11 0.00 0.00 175.55 173.58 3ije s SER 12 N -2.14 -0.33 0.23 2.29 1.04 -1.26 -0.98 113.70 112.55 3ije s SER 12 Ca 0.15 0.58 0.03 0.00 0.48 0.00 0.00 55.95 57.19 3ije s SER 12 Cb -0.10 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3ije s SER 12 CO 0.06 -0.18 0.26 0.61 0.98 0.00 0.00 173.24 174.98 3ije n GLY 13 N 2.59 2.31 3.78 7.32 0.00 -0.30 -4.92 105.19 115.96 3ije n GLY 13 Ca -0.15 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.34 3ije n GLY 13 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ije s PRO 14 N -3.00 3.35 0.25 1.61 0.04 -1.26 -4.90 135.00 131.08 3ije s PRO 14 Ca 0.20 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 3ije s PRO 14 Cb -0.02 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3ije s PRO 14 CO 0.13 -0.84 1.36 -1.83 0.04 0.00 0.00 177.00 175.85 3ije s GLU 15 N -3.40 4.34 0.00 4.56 -1.05 -1.26 -2.62 118.70 119.27 3ije s GLU 15 Ca 0.71 2.18 0.00 0.00 -0.15 0.00 0.00 54.97 57.71 3ije s GLU 15 Cb -0.22 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.33 3ije s GLU 15 CO 0.28 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.60 3ije n GLY 16 N 1.98 0.92 0.14 -3.83 0.00 -1.26 -4.92 105.19 98.22 3ije n GLY 16 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 3ije n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ije n SER 17 N 0.00 0.56 -2.68 1.61 3.41 -1.08 -4.71 113.62 110.74 3ije n SER 17 Ca 0.00 -0.64 -0.19 0.00 -0.26 0.00 0.00 58.87 57.77 3ije n SER 17 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3ije n SER 17 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ije n TYR 18 N -0.89 -1.46 -1.69 7.33 0.53 -1.26 -1.19 117.16 118.54 3ije n TYR 18 Ca 0.14 0.19 -0.51 0.00 -1.02 0.00 0.00 57.90 56.70 3ije n TYR 18 Cb 0.29 -3.63 -0.06 0.00 -1.03 0.00 0.00 39.34 34.91 3ije n TYR 18 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 3ije n PHE 19 N -3.95 2.24 0.00 -0.72 -0.00 -1.26 -1.14 117.46 112.64 3ije n PHE 19 Ca -0.16 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3ije n PHE 19 Cb 0.63 -2.60 0.00 0.00 -0.00 0.00 0.00 39.48 37.51 3ije n PHE 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ije n GLY 20 N 4.37 0.85 0.34 7.13 0.00 -0.85 -2.50 105.19 114.53 3ije n GLY 20 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3ije n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ije h PHE 21 N 0.00 0.25 -3.67 1.61 3.57 -1.00 -3.39 116.94 114.31 3ije h PHE 21 Ca 0.00 0.01 -0.30 0.00 3.53 0.00 0.00 57.97 61.21 3ije h PHE 21 Cb 0.00 -0.08 -0.31 0.00 2.79 0.00 0.00 35.95 38.35 3ije h PHE 21 CO 0.00 0.12 -0.74 0.00 -2.23 0.00 0.00 178.31 175.47 3ije s ALA 22 N -5.24 0.23 0.08 2.41 0.00 -1.24 -4.61 121.76 113.39 3ije s ALA 22 Ca -0.07 0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3ije s ALA 22 Cb 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3ije s ALA 22 CO 0.73 -0.00 -0.10 0.14 0.00 0.00 0.00 175.76 176.52 3ije s VAL 23 N 0.42 0.87 0.00 0.00 -7.23 -1.26 0.12 120.40 113.32 3ije s VAL 23 Ca -0.04 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 3ije s VAL 23 Cb -0.07 -1.22 0.10 0.00 0.56 0.00 0.00 36.38 35.75 3ije s VAL 23 CO -0.01 -0.52 0.97 -0.62 -0.31 0.00 0.00 175.10 174.62 3ije s ASP 24 N -2.26 -0.27 0.25 4.85 3.68 -0.19 -4.63 116.67 118.10 3ije s ASP 24 Ca 0.02 -0.10 -0.14 0.00 2.13 0.00 0.00 52.55 54.46 3ije s ASP 24 Cb -0.04 0.36 -0.08 0.00 -1.45 0.00 0.00 42.92 41.71 3ije s ASP 24 CO -0.00 -0.61 0.66 -0.36 0.13 0.00 0.00 175.17 174.99 3ije s PHE 25 N -3.01 3.47 -0.24 -5.34 0.40 -1.26 0.12 117.98 112.11 3ije s PHE 25 Ca 0.08 1.14 -0.02 0.00 -0.60 0.00 0.00 56.93 57.52 3ije s PHE 25 Cb -0.01 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 41.09 3ije s PHE 25 CO -0.06 0.23 -0.07 0.12 0.70 0.00 0.00 175.22 176.15 3ije s PHE 26 N -1.78 3.02 -0.57 0.36 5.99 0.13 -4.66 117.98 120.47 3ije s PHE 26 Ca 0.48 -1.41 0.07 0.00 0.00 0.00 0.00 56.93 56.07 3ije s PHE 26 Cb -0.12 -2.06 0.25 0.00 0.00 0.00 0.00 43.02 41.08 3ije s PHE 26 CO 0.19 -0.69 0.67 0.28 -0.00 0.00 0.00 175.22 175.67 3ije n VAL 27 N 4.70 1.46 -2.28 3.12 0.31 -1.26 -1.17 118.33 123.20 3ije n VAL 27 Ca -0.17 -4.86 -0.36 0.00 -0.01 0.00 0.00 64.34 58.94 3ije n VAL 27 Cb 0.48 -2.06 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 3ije n VAL 27 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3ije s PRO 28 N -2.07 3.60 0.34 5.55 0.04 -1.25 -4.27 135.00 136.95 3ije s PRO 28 Ca 0.38 1.68 0.24 0.00 0.04 0.00 0.00 61.00 63.34 3ije s PRO 28 Cb 0.15 -2.23 0.41 0.00 0.04 0.00 0.00 34.50 32.87 3ije s PRO 28 CO -0.04 -0.66 1.57 0.66 0.04 0.00 0.00 177.00 178.57 3ije h SER 29 N 1.69 0.00 0.75 6.66 4.64 -1.95 -3.27 113.55 122.07 3ije h SER 29 Ca -0.50 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3ije h SER 29 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ije h SER 29 CO 0.59 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 3ije n ALA 30 N -2.02 2.12 -2.82 5.18 0.00 -1.26 -4.86 120.51 116.85 3ije n ALA 30 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 3ije n ALA 30 Cb 0.50 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 3ije n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ije s SER 31 N -2.92 0.58 0.19 0.00 0.15 -1.23 -5.02 113.70 105.45 3ije s SER 31 Ca 0.14 -0.59 0.26 0.00 0.70 0.00 0.00 55.95 56.46 3ije s SER 31 Cb 0.16 0.08 0.88 0.00 -1.71 0.00 0.00 66.02 65.43 3ije s SER 31 CO 0.42 -0.29 1.77 -0.24 1.20 0.00 0.00 173.24 176.10 3ije n SER 32 N 1.33 0.68 -4.94 5.45 2.88 -1.26 -4.75 113.62 113.02 3ije n SER 32 Ca -0.22 0.58 -0.25 0.00 -1.33 0.00 0.00 58.87 57.66 3ije n SER 32 Cb 0.56 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 63.24 3ije n SER 32 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3ije s ARG 33 N -3.13 3.50 0.05 -1.46 0.52 -1.26 -5.11 118.95 112.06 3ije s ARG 33 Ca 0.10 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 55.01 3ije s ARG 33 Cb 0.12 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 3ije s ARG 33 CO 0.54 0.25 -0.15 -1.64 0.02 0.00 0.00 175.30 174.32 3ije s MET 34 N -3.96 0.96 0.41 3.54 -1.94 -1.26 -4.42 119.30 112.63 3ije s MET 34 Ca 0.39 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.59 3ije s MET 34 Cb -0.10 -0.99 -0.02 0.00 2.01 0.00 0.00 34.83 35.73 3ije s MET 34 CO 0.33 0.24 0.14 -0.06 -0.01 0.00 0.00 175.02 175.66 3ije s PHE 35 N -0.93 1.78 0.00 -0.03 0.40 -0.32 -4.38 117.98 114.49 3ije s PHE 35 Ca 0.02 -1.31 0.04 0.00 -0.60 0.00 0.00 56.93 55.08 3ije s PHE 35 Cb -0.08 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 3ije s PHE 35 CO 0.02 -0.33 -0.14 -0.48 0.70 0.00 0.00 175.22 174.99 3ije s LEU 36 N -3.61 2.06 -0.24 -0.37 0.05 -0.99 -0.69 118.68 114.88 3ije s LEU 36 Ca 0.23 -0.30 -0.05 0.00 0.05 0.00 0.00 54.13 54.06 3ije s LEU 36 Cb 0.02 -0.69 -0.01 0.00 -2.05 0.00 0.00 46.19 43.46 3ije s LEU 36 CO 0.15 0.14 0.00 -0.76 -0.55 0.00 0.00 176.35 175.33 3ije s LEU 37 N -0.51 3.21 -0.20 1.48 1.43 0.31 -0.32 118.68 124.08 3ije s LEU 37 Ca 0.05 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3ije s LEU 37 Cb -0.06 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3ije s LEU 37 CO -0.00 -0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.77 3ije s VAL 38 N 1.50 3.32 0.01 -1.59 1.01 -0.20 -1.02 120.40 123.44 3ije s VAL 38 Ca 0.05 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3ije s VAL 38 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3ije s VAL 38 CO -0.01 0.44 0.95 -0.83 0.00 0.00 0.00 175.10 175.66 3ije s GLY 39 N 1.26 2.90 -0.59 4.51 0.00 0.33 -0.89 107.32 114.84 3ije s GLY 39 Ca 0.03 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.31 3ije s GLY 39 CO -0.02 1.60 0.59 0.00 0.00 0.00 0.00 173.10 175.27 3ije n ALA 40 N 3.69 3.46 0.30 3.20 0.00 0.67 -2.01 120.51 129.81 3ije n ALA 40 Ca 0.05 -4.27 0.16 0.00 0.00 0.00 0.00 53.44 49.38 3ije n ALA 40 Cb 0.51 -0.90 0.74 0.00 0.00 0.00 0.00 19.45 19.79 3ije n ALA 40 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ije h PRO 41 N 4.64 0.00 -0.55 0.00 0.13 -1.65 -1.35 132.00 133.22 3ije h PRO 41 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ije h PRO 41 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3ije h PRO 41 CO 0.68 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.08 3ije n LYS 42 N -2.65 2.70 -2.17 0.86 5.02 -0.33 -3.70 118.16 117.89 3ije n LYS 42 Ca -0.00 -2.39 -0.42 0.00 -2.02 0.00 0.00 58.31 53.48 3ije n LYS 42 Cb 0.16 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 3ije n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ije s ALA 43 N -1.04 3.57 0.43 7.82 0.00 -0.59 -4.58 121.76 127.35 3ije s ALA 43 Ca 0.38 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 53.25 3ije s ALA 43 Cb 0.20 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3ije s ALA 43 CO 0.27 -0.59 1.11 -0.80 0.00 0.00 0.00 175.76 175.74 3ije s ASN 44 N 0.64 6.48 0.29 0.00 0.01 -1.26 0.38 114.94 121.48 3ije s ASN 44 Ca 0.60 2.17 0.02 0.00 -0.71 0.00 0.00 52.86 54.95 3ije s ASN 44 Cb -0.37 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.64 3ije s ASN 44 CO 0.36 -0.69 0.09 0.42 -1.51 0.00 0.00 177.10 175.76 3ije s THR 45 N -1.60 0.76 -2.04 1.60 -4.23 -1.26 -4.88 115.64 103.99 3ije s THR 45 Ca 0.60 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.42 3ije s THR 45 Cb -0.25 -2.67 0.85 0.00 1.34 0.00 0.00 72.50 71.77 3ije s THR 45 CO 0.31 0.00 2.15 0.35 -0.54 0.00 0.00 174.62 176.89 3ije n THR 46 N -0.57 0.00 -1.65 3.99 -2.24 -1.26 -4.86 114.28 107.69 3ije n THR 46 Ca -0.01 -0.02 -0.48 0.00 -2.27 0.00 0.00 64.05 61.27 3ije n THR 46 Cb 0.66 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.44 3ije n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ije n GLN 47 N -0.89 1.87 -1.68 -0.78 6.02 -1.26 -4.86 117.38 115.80 3ije n GLN 47 Ca 0.23 0.68 -0.44 0.00 -0.01 0.00 0.00 57.00 57.46 3ije n GLN 47 Cb 0.12 -2.42 -0.03 0.00 1.02 0.00 0.00 30.24 28.93 3ije n GLN 47 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3ije n PRO 48 N 3.67 2.64 -2.70 -1.09 -0.02 -1.26 -3.21 135.00 133.02 3ije n PRO 48 Ca 0.18 0.96 -0.18 0.00 -2.02 0.00 0.00 63.50 62.44 3ije n PRO 48 Cb 0.26 -2.85 0.02 0.00 -0.02 0.00 0.00 33.50 30.91 3ije n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ije n GLY 49 N 4.24 -0.32 2.86 -1.23 0.00 -1.26 -4.46 105.19 105.01 3ije n GLY 49 Ca 0.19 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3ije n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ije s ILE 50 N -3.00 0.99 -0.18 -0.61 -1.09 -1.20 -4.89 121.20 111.22 3ije s ILE 50 Ca 0.17 -0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 57.80 3ije s ILE 50 Cb -0.07 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 3ije s ILE 50 CO 0.21 0.07 0.49 -0.69 -1.23 0.00 0.00 174.94 173.79 3ije s VAL 51 N 1.68 5.14 -1.26 2.92 1.01 -1.26 -4.43 120.40 124.19 3ije s VAL 51 Ca 0.00 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 3ije s VAL 51 Cb -0.16 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3ije s VAL 51 CO -0.07 0.22 0.76 -0.62 0.00 0.00 0.00 175.10 175.39 3ije n GLU 52 N 4.50 -4.62 0.26 2.72 1.02 -1.26 -1.57 120.64 121.69 3ije n GLU 52 Ca -0.06 0.65 0.14 0.00 -0.02 0.00 0.00 57.16 57.88 3ije n GLU 52 Cb 0.51 -5.23 0.70 0.00 -0.02 0.00 0.00 31.44 27.40 3ije n GLU 52 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ije h GLY 53 N -1.81 0.00 0.00 0.62 0.00 -1.76 -2.64 103.07 97.48 3ije h GLY 53 Ca -0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3ije h GLY 53 CO 0.54 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.69 3ije n GLY 54 N -0.37 -1.98 3.69 4.60 0.00 0.16 -2.40 105.19 108.90 3ije n GLY 54 Ca -0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 3ije n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ije s GLN 55 N -2.82 1.84 0.00 1.61 -2.07 -0.70 -4.72 119.66 112.80 3ije s GLN 55 Ca 0.00 -1.32 0.08 0.00 -1.82 0.00 0.00 55.36 52.30 3ije s GLN 55 Cb 0.00 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.44 3ije s GLN 55 CO 0.00 -0.81 -0.24 0.08 -1.32 0.00 0.00 175.29 173.00 3ije s VAL 56 N -3.42 1.90 -0.09 3.63 1.01 -1.26 -0.24 120.40 121.93 3ije s VAL 56 Ca 0.19 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.10 3ije s VAL 56 Cb -0.03 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3ije s VAL 56 CO 0.11 0.46 -0.23 -0.76 0.00 0.00 0.00 175.10 174.69 3ije s LEU 57 N -0.76 2.18 -0.15 3.92 1.02 -0.07 -1.42 118.68 123.41 3ije s LEU 57 Ca 0.09 -0.51 -0.23 0.00 0.02 0.00 0.00 54.13 53.51 3ije s LEU 57 Cb -0.09 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.66 3ije s LEU 57 CO -0.00 0.19 0.69 -0.75 0.02 0.00 0.00 176.35 176.50 3ije s LYS 58 N 0.18 4.31 -0.12 1.70 2.20 0.98 -1.03 119.74 127.95 3ije s LYS 58 Ca -0.13 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3ije s LYS 58 Cb -0.16 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3ije s LYS 58 CO 0.07 -0.15 -0.14 0.00 -0.36 0.00 0.00 175.35 174.77 3ije s ASP 60 N 0.31 7.00 -0.04 0.00 -0.00 -1.12 -2.34 116.67 120.48 3ije s ASP 60 Ca -0.11 1.98 -0.04 0.00 -0.00 0.00 0.00 52.55 54.37 3ije s ASP 60 Cb -0.16 -2.57 -0.28 0.00 -0.00 0.00 0.00 42.92 39.92 3ije s ASP 60 CO 0.06 -0.58 0.70 -0.25 -0.00 0.00 0.00 175.17 175.10 3ije h TRP 61 N 7.29 0.49 -0.03 4.23 7.01 -1.81 -3.39 115.95 129.74 3ije h TRP 61 Ca -0.38 -0.35 -0.17 0.00 2.11 0.00 0.00 58.89 60.09 3ije h TRP 61 Cb 1.19 -0.02 0.04 0.00 -2.10 0.00 0.00 29.16 28.27 3ije h TRP 61 CO 0.71 1.50 0.70 0.45 -2.79 0.00 0.00 178.44 179.01 3ije n SER 62 N -3.45 0.13 0.00 2.65 2.88 -1.26 -4.59 113.62 109.97 3ije n SER 62 Ca -0.22 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.42 3ije n SER 62 Cb 1.05 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3ije n SER 62 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3ije n SER 63 N 10.62 0.00 -1.57 -3.46 2.88 -1.26 -4.93 113.62 115.89 3ije n SER 63 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 3ije n SER 63 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3ije n SER 63 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3ije n THR 64 N 0.00 -0.79 0.85 2.46 -1.04 -1.26 -4.73 114.28 109.76 3ije n THR 64 Ca 0.00 0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3ije n THR 64 Cb 0.00 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3ije n THR 64 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ije n ARG 65 N 0.86 0.59 -2.37 -2.82 3.00 -1.26 -4.34 116.66 110.32 3ije n ARG 65 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 3ije n ARG 65 Cb 0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 3ije n ARG 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3ije s ARG 66 N -1.45 3.79 0.06 5.56 3.52 -1.26 -4.72 118.95 124.46 3ije s ARG 66 Ca 0.00 1.62 0.08 0.00 -0.13 0.00 0.00 55.73 57.30 3ije s ARG 66 Cb 0.00 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.04 3ije s ARG 66 CO 0.00 -0.48 -0.23 0.00 -0.81 0.00 0.00 175.30 173.78 3ije s GLN 68 N -1.38 2.35 0.26 0.00 -0.21 0.23 -4.96 119.66 115.96 3ije s GLN 68 Ca 0.09 -0.86 -0.29 0.00 0.02 0.00 0.00 55.36 54.32 3ije s GLN 68 Cb -0.09 -2.04 -0.09 0.00 1.00 0.00 0.00 33.01 31.79 3ije s GLN 68 CO 0.03 0.39 1.18 -1.25 -2.12 0.00 0.00 175.29 173.51 3ije s PRO 69 N -0.21 4.53 -0.21 2.91 0.04 -1.26 -0.01 135.00 140.79 3ije s PRO 69 Ca -0.01 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 3ije s PRO 69 Cb -0.13 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3ije s PRO 69 CO 0.03 0.03 1.02 0.42 0.04 0.00 0.00 177.00 178.53 3ije s ILE 70 N -0.82 4.71 -1.24 0.56 1.01 -0.51 -4.84 121.20 120.08 3ije s ILE 70 Ca 0.48 2.00 -0.20 0.00 0.00 0.00 0.00 60.65 62.93 3ije s ILE 70 Cb -0.34 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 37.88 3ije s ILE 70 CO 0.42 -0.13 1.73 -1.83 0.00 0.00 0.00 174.94 175.13 3ije s GLU 71 N 2.93 3.68 -0.05 2.79 1.03 -1.26 -4.71 118.70 123.12 3ije s GLU 71 Ca 0.44 -1.72 -0.16 0.00 0.03 0.00 0.00 54.97 53.56 3ije s GLU 71 Cb -0.16 -5.46 -0.10 0.00 -0.80 0.00 0.00 34.13 27.61 3ije s GLU 71 CO 0.08 -2.53 0.66 0.74 -1.33 0.00 0.00 175.26 172.88 3ije h PHE 72 N 8.28 -0.34 -3.09 4.83 -1.00 -1.96 -3.45 116.94 120.21 3ije h PHE 72 Ca 0.37 -0.01 -0.47 0.00 2.81 0.00 0.00 57.97 60.67 3ije h PHE 72 Cb 0.90 0.11 -0.41 0.00 3.61 0.00 0.00 35.95 40.17 3ije h PHE 72 CO 1.37 -0.07 -0.75 0.34 -1.61 0.00 0.00 178.31 177.59 3ije s ASP 73 N -5.20 2.46 0.00 2.17 3.68 -1.26 -4.98 116.67 113.54 3ije s ASP 73 Ca -0.09 -0.66 0.22 0.00 2.13 0.00 0.00 52.55 54.15 3ije s ASP 73 Cb 0.01 -0.31 0.66 0.00 -1.45 0.00 0.00 42.92 41.83 3ije s ASP 73 CO 0.31 -0.34 1.51 0.00 0.13 0.00 0.00 175.17 176.77 3ije n ALA 74 N 5.24 2.50 -2.91 3.66 0.00 -1.26 -4.88 120.51 122.86 3ije n ALA 74 Ca -0.07 -0.64 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 3ije n ALA 74 Cb 0.49 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3ije n ALA 74 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ije s THR 75 N -1.74 5.32 0.00 0.00 -4.23 -1.26 -4.43 115.64 109.30 3ije s THR 75 Ca 0.34 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 3ije s THR 75 Cb 0.19 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.32 3ije s THR 75 CO 0.28 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 3ije n GLY 76 N -0.31 1.07 3.77 3.99 0.00 -1.26 -4.76 105.19 107.68 3ije n GLY 76 Ca -0.06 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 3ije n GLY 76 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ije s ASN 77 N -1.00 7.14 0.86 1.61 0.01 -1.26 -5.01 114.94 117.29 3ije s ASN 77 Ca 0.00 2.08 -0.12 0.00 -0.71 0.00 0.00 52.86 54.11 3ije s ASN 77 Cb 0.00 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.17 3ije s ASN 77 CO 0.00 -0.22 1.16 -0.13 -1.51 0.00 0.00 177.10 176.40 3ije s ARG 78 N -1.88 1.53 -0.12 -0.60 0.52 -1.26 -4.95 118.95 112.18 3ije s ARG 78 Ca 0.50 0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.93 3ije s ARG 78 Cb -0.26 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.34 3ije s ARG 78 CO 0.32 -1.92 -0.15 -0.51 0.02 0.00 0.00 175.30 173.07 3ije s ASP 79 N -4.29 2.49 0.09 0.23 1.01 -1.26 -0.82 116.67 114.13 3ije s ASP 79 Ca 0.63 -0.44 -0.22 0.00 0.71 0.00 0.00 52.55 53.23 3ije s ASP 79 Cb -0.13 -1.10 -0.12 0.00 1.01 0.00 0.00 42.92 42.57 3ije s ASP 79 CO 0.51 -0.01 1.71 0.22 0.21 0.00 0.00 175.17 177.81 3ije h TYR 80 N 7.59 0.11 -4.30 4.23 3.20 -1.43 -3.43 116.97 122.93 3ije h TYR 80 Ca -0.33 -0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.19 3ije h TYR 80 Cb 1.16 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.31 3ije h TYR 80 CO 0.48 0.12 -0.26 0.00 -1.64 0.00 0.00 178.16 176.85 3ije n ALA 81 N -2.14 0.05 -2.10 1.82 0.00 -1.05 -5.01 120.51 112.08 3ije n ALA 81 Ca -0.06 -1.73 -0.42 0.00 0.00 0.00 0.00 53.44 51.24 3ije n ALA 81 Cb 0.05 1.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.87 3ije n ALA 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3ije s LYS 82 N -2.99 4.31 -1.28 0.00 2.36 -1.26 -2.11 119.74 118.77 3ije s LYS 82 Ca 0.33 2.12 -0.05 0.00 -2.55 0.00 0.00 55.97 55.82 3ije s LYS 82 Cb 0.00 -3.22 -0.01 0.00 -1.05 0.00 0.00 37.83 33.55 3ije s LYS 82 CO 0.23 -0.43 0.67 -0.25 1.55 0.00 0.00 175.35 177.12 3ije n ASP 83 N 3.68 -2.21 -2.73 1.43 9.92 -1.26 -4.96 116.55 120.42 3ije n ASP 83 Ca 0.11 -0.90 -0.05 0.00 -0.53 0.00 0.00 54.79 53.42 3ije n ASP 83 Cb 0.42 -3.75 0.03 0.00 -0.64 0.00 0.00 41.12 37.18 3ije n ASP 83 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3ije n ASP 84 N -2.97 -2.62 -4.59 -2.24 4.64 -0.90 -5.12 116.55 102.75 3ije n ASP 84 Ca -0.24 -2.41 -0.47 0.00 -1.38 0.00 0.00 54.79 50.28 3ije n ASP 84 Cb 0.66 1.41 -0.03 0.00 -1.04 0.00 0.00 41.12 42.12 3ije n ASP 84 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3ije n PRO 85 N 2.40 1.30 0.15 -0.67 -0.02 -1.26 -1.37 135.00 135.52 3ije n PRO 85 Ca 0.12 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.12 3ije n PRO 85 Cb 0.61 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 32.21 3ije n PRO 85 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ije h LEU 86 N 3.06 0.00 -8.04 2.45 5.85 -1.25 -3.40 115.31 113.98 3ije h LEU 86 Ca -0.42 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 3ije h LEU 86 Cb 1.34 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 3ije h LEU 86 CO 0.68 0.32 -0.31 -1.83 -0.34 0.00 0.00 178.44 176.96 3ije s GLU 87 N -3.06 1.14 -0.23 1.25 -1.05 -1.25 -1.00 118.70 114.49 3ije s GLU 87 Ca 0.04 -1.14 -0.02 0.00 -0.15 0.00 0.00 54.97 53.69 3ije s GLU 87 Cb 0.07 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.21 3ije s GLU 87 CO 0.74 -0.41 0.04 -0.06 0.95 0.00 0.00 175.26 176.52 3ije s PHE 88 N -3.95 1.32 -0.08 4.83 0.40 -0.42 -4.65 117.98 115.43 3ije s PHE 88 Ca 0.16 -1.18 0.14 0.00 -0.60 0.00 0.00 56.93 55.46 3ije s PHE 88 Cb 0.03 -1.25 -0.16 0.00 0.51 0.00 0.00 43.02 42.15 3ije s PHE 88 CO -0.01 -0.70 0.83 0.87 0.70 0.00 0.00 175.22 176.91 3ije h LYS 89 N 8.18 0.00 -6.68 0.44 1.57 -1.95 -2.96 116.57 115.16 3ije h LYS 89 Ca -0.16 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.10 3ije h LYS 89 Cb 1.08 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.45 3ije h LYS 89 CO 0.38 0.42 0.83 -1.54 -0.57 0.00 0.00 179.45 178.97 3ije s SER 90 N -6.00 6.60 -1.15 0.86 1.04 -1.26 -1.84 113.70 111.94 3ije s SER 90 Ca -0.03 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.07 3ije s SER 90 Cb 0.08 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3ije s SER 90 CO 0.81 -0.78 0.00 1.41 0.98 0.00 0.00 173.24 175.66 3ije n HIS 91 N 3.09 -0.47 1.43 5.02 8.25 -0.61 -4.92 115.22 127.01 3ije n HIS 91 Ca 0.10 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 3ije n HIS 91 Cb 0.39 -2.71 0.72 0.00 1.12 0.00 0.00 29.99 29.51 3ije n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ije n GLN 92 N -2.31 0.49 -3.78 -0.41 10.64 -0.77 -4.73 117.38 116.51 3ije n GLN 92 Ca -0.15 -0.05 -0.26 0.00 -1.83 0.00 0.00 57.00 54.71 3ije n GLN 92 Cb 0.57 -1.50 0.04 0.00 -0.86 0.00 0.00 30.24 28.49 3ije n GLN 92 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 3ije n TRP 93 N -1.21 -2.31 -2.30 2.61 7.02 -1.25 -1.38 117.44 118.61 3ije n TRP 93 Ca 0.14 0.91 -0.42 0.00 -1.02 0.00 0.00 57.50 57.12 3ije n TRP 93 Cb 0.25 -4.34 -0.03 0.00 -2.42 0.00 0.00 31.31 24.77 3ije n TRP 93 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 3ije s PHE 94 N -3.40 3.06 0.00 -5.99 5.36 -1.01 -1.94 117.98 114.07 3ije s PHE 94 Ca 0.45 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 3ije s PHE 94 Cb -0.22 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 3ije s PHE 94 CO 0.80 -1.99 0.00 0.41 -1.46 0.00 0.00 175.22 172.98 3ije n GLY 95 N 3.50 0.77 0.05 13.12 0.00 -0.69 -2.12 105.19 119.81 3ije n GLY 95 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 3ije n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ije n ALA 96 N -1.77 1.63 -3.64 4.61 0.00 -0.82 -3.75 120.51 116.77 3ije n ALA 96 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3ije n ALA 96 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 3ije n ALA 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ije s SER 97 N -3.46 -0.89 -0.13 0.00 0.15 -1.26 -4.69 113.70 103.42 3ije s SER 97 Ca 0.06 1.45 -0.05 0.00 0.70 0.00 0.00 55.95 58.11 3ije s SER 97 Cb 0.09 1.34 0.07 0.00 -1.71 0.00 0.00 66.02 65.81 3ije s SER 97 CO 0.30 -0.24 0.28 -0.69 1.20 0.00 0.00 173.24 174.09 3ije s VAL 98 N 1.49 -0.41 0.01 4.45 1.01 -1.26 -2.27 120.40 123.42 3ije s VAL 98 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3ije s VAL 98 Cb -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3ije s VAL 98 CO -0.17 0.11 -0.02 -0.13 0.00 0.00 0.00 175.10 174.89 3ije s ARG 99 N 2.36 0.17 0.03 2.72 1.81 -0.27 -4.70 118.95 121.08 3ije s ARG 99 Ca 0.00 -0.29 0.01 0.00 -1.72 0.00 0.00 55.73 53.73 3ije s ARG 99 Cb -0.12 0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.37 3ije s ARG 99 CO -0.09 -0.01 -0.05 -1.54 -0.68 0.00 0.00 175.30 172.93 3ije s SER 100 N -0.66 0.58 -0.20 0.23 1.04 -1.26 0.10 113.70 113.53 3ije s SER 100 Ca -0.07 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 3ije s SER 100 Cb -0.05 0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.23 3ije s SER 100 CO -0.00 -0.27 0.17 -0.75 0.98 0.00 0.00 173.24 173.37 3ije s LYS 101 N -1.69 0.15 7.87 4.02 2.20 0.34 -4.99 119.74 127.64 3ije s LYS 101 Ca -0.11 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 3ije s LYS 101 Cb -0.09 -1.41 0.00 0.00 -1.51 0.00 0.00 37.83 34.82 3ije s LYS 101 CO -0.01 -0.69 0.00 1.04 -0.36 0.00 0.00 175.35 175.33 3ije n GLN 102 N 5.30 0.00 0.07 4.03 6.02 -1.26 -1.83 117.38 129.71 3ije n GLN 102 Ca -0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.05 3ije n GLN 102 Cb 0.49 0.00 0.47 0.00 1.02 0.00 0.00 30.24 32.22 3ije n GLN 102 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ije n ASP 103 N 5.77 0.49 -4.79 1.08 8.00 -1.26 -3.91 116.55 121.93 3ije n ASP 103 Ca 0.00 0.57 -0.39 0.00 0.71 0.00 0.00 54.79 55.68 3ije n ASP 103 Cb 0.00 -0.69 -0.06 0.00 -0.02 0.00 0.00 41.12 40.35 3ije n ASP 103 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3ije s LYS 104 N -3.11 4.34 -0.02 -1.24 -0.14 -0.76 -4.44 119.74 114.37 3ije s LYS 104 Ca 0.10 0.88 0.01 0.00 -1.36 0.00 0.00 55.97 55.59 3ije s LYS 104 Cb 0.13 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 33.02 3ije s LYS 104 CO 0.50 0.54 -0.03 0.96 -0.76 0.00 0.00 175.35 176.56 3ije s ILE 105 N -0.87 0.37 -0.15 2.17 -4.36 -0.96 -0.50 121.20 116.89 3ije s ILE 105 Ca 0.32 -0.10 -0.03 0.00 -0.26 0.00 0.00 60.65 60.58 3ije s ILE 105 Cb -0.20 -0.38 -0.02 0.00 1.25 0.00 0.00 42.46 43.11 3ije s ILE 105 CO 0.21 0.15 -0.06 -0.22 0.24 0.00 0.00 174.94 175.26 3ije s LEU 106 N 0.50 3.08 0.02 0.37 0.20 0.29 -1.57 118.68 121.56 3ije s LEU 106 Ca -0.06 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.59 3ije s LEU 106 Cb -0.09 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 3ije s LEU 106 CO -0.00 0.15 -0.09 0.00 -0.29 0.00 0.00 176.35 176.12 3ije s ALA 107 N 0.46 0.69 0.07 5.97 0.00 -0.76 -1.11 121.76 127.08 3ije s ALA 107 Ca -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.41 3ije s ALA 107 Cb -0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3ije s ALA 107 CO 0.03 0.11 -0.12 0.00 0.00 0.00 0.00 175.76 175.78 3ije s ALA 109 N -1.35 3.97 -1.14 0.00 0.00 0.11 -1.71 121.76 121.63 3ije s ALA 109 Ca -0.04 -3.75 0.10 0.00 0.00 0.00 0.00 51.96 48.27 3ije s ALA 109 Cb -0.10 -2.52 0.44 0.00 0.00 0.00 0.00 23.12 20.94 3ije s ALA 109 CO 0.02 -2.12 1.27 -0.35 0.00 0.00 0.00 175.76 174.58 3ije n PRO 110 N 2.36 0.05 -0.30 0.00 -0.04 -1.21 -1.11 135.00 134.75 3ije n PRO 110 Ca 0.18 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 64.01 3ije n PRO 110 Cb 0.36 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.55 3ije n PRO 110 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ije n LEU 111 N -1.43 3.49 -4.69 1.53 7.99 -0.48 -4.38 117.00 119.03 3ije n LEU 111 Ca 0.03 -2.12 -0.42 0.00 -0.01 0.00 0.00 56.01 53.49 3ije n LEU 111 Cb 0.10 -0.37 -0.03 0.00 -0.11 0.00 0.00 43.42 43.01 3ije n LEU 111 CO 0.08 0.81 1.48 -0.47 -1.51 0.00 0.00 177.39 177.78 3ije s TYR 112 N -1.22 2.10 0.16 -1.77 5.04 -0.27 -4.38 117.35 117.02 3ije s TYR 112 Ca 0.35 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.98 3ije s TYR 112 Cb 0.20 -4.17 -0.04 0.00 0.35 0.00 0.00 41.96 38.30 3ije s TYR 112 CO 0.21 -4.87 0.23 -1.01 -1.34 0.00 0.00 175.55 168.77 3ije s HIS 113 N 2.85 3.34 -0.09 4.97 3.76 -1.12 -1.88 115.29 127.12 3ije s HIS 113 Ca 0.81 0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 55.74 3ije s HIS 113 Cb -0.45 -1.59 0.05 0.00 1.11 0.00 0.00 32.58 31.69 3ije s HIS 113 CO 0.36 0.51 0.16 -0.46 -0.85 0.00 0.00 174.74 174.47 3ije s TRP 114 N -1.77 -0.17 0.43 1.40 -0.11 0.72 -1.30 118.94 118.14 3ije s TRP 114 Ca 0.33 0.55 -0.25 0.00 1.22 0.00 0.00 56.10 57.96 3ije s TRP 114 Cb -0.10 -0.28 -0.08 0.00 -1.50 0.00 0.00 33.47 31.50 3ije s TRP 114 CO 0.26 -0.30 1.21 0.50 -4.62 0.00 0.00 176.95 174.01 3ije s ARG 115 N 2.29 3.90 0.98 5.86 3.52 -0.17 -1.56 118.95 133.77 3ije s ARG 115 Ca 0.03 1.92 -0.14 0.00 -0.13 0.00 0.00 55.73 57.41 3ije s ARG 115 Cb -0.12 -2.60 0.18 0.00 -1.56 0.00 0.00 34.95 30.85 3ije s ARG 115 CO -0.06 -0.47 1.17 0.99 -0.81 0.00 0.00 175.30 176.12 3ije s THR 116 N -1.41 1.92 -1.52 4.11 2.01 -1.23 -4.81 115.64 114.71 3ije s THR 116 Ca 0.60 0.00 0.20 0.00 0.31 0.00 0.00 61.69 62.79 3ije s THR 116 Cb -0.32 -2.76 0.64 0.00 0.01 0.00 0.00 72.50 70.07 3ije s THR 116 CO 0.40 0.00 1.55 -0.62 -0.69 0.00 0.00 174.62 175.26 3ije n GLU 117 N -3.94 3.13 -0.00 4.92 1.02 -1.26 -4.62 120.64 119.88 3ije n GLU 117 Ca 0.10 -2.70 -0.03 0.00 -0.02 0.00 0.00 57.16 54.50 3ije n GLU 117 Cb 0.59 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 3ije n GLU 117 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3ije n MET 118 N 1.31 0.20 -4.36 3.49 2.81 -1.26 -5.07 117.12 114.23 3ije n MET 118 Ca 0.24 0.08 -0.25 0.00 -1.81 0.00 0.00 57.70 55.96 3ije n MET 118 Cb 0.71 -0.84 -0.09 0.00 -0.71 0.00 0.00 33.22 32.30 3ije n MET 118 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ije s LYS 119 N -2.31 2.04 -0.63 0.03 -0.14 -1.26 -5.07 119.74 112.40 3ije s LYS 119 Ca -0.11 -1.75 -0.28 0.00 -1.36 0.00 0.00 55.97 52.48 3ije s LYS 119 Cb 0.01 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.28 3ije s LYS 119 CO 0.16 0.16 1.29 -1.14 -0.76 0.00 0.00 175.35 175.06 3ije s GLN 120 N -3.69 3.33 0.46 1.68 -0.44 -1.26 -3.51 119.66 116.23 3ije s GLN 120 Ca 0.34 0.15 0.03 0.00 -2.50 0.00 0.00 55.36 53.38 3ije s GLN 120 Cb -0.01 -4.10 -0.02 0.00 -1.64 0.00 0.00 33.01 27.24 3ije s GLN 120 CO 0.19 -1.92 0.06 -1.21 0.50 0.00 0.00 175.29 172.90 3ije s GLU 121 N 5.40 2.05 -0.42 1.67 0.41 -1.26 -4.95 118.70 121.61 3ije s GLU 121 Ca 0.43 -2.27 0.06 0.00 -0.41 0.00 0.00 54.97 52.78 3ije s GLU 121 Cb -0.09 -1.11 0.22 0.00 -1.78 0.00 0.00 34.13 31.37 3ije s GLU 121 CO 0.22 -0.39 0.51 0.54 -0.49 0.00 0.00 175.26 175.65 3ije n ARG 122 N -1.08 0.52 -4.07 1.61 5.12 -1.26 -4.02 116.66 113.48 3ije n ARG 122 Ca -0.12 -2.95 -0.35 0.00 -1.93 0.00 0.00 57.85 52.50 3ije n ARG 122 Cb 0.66 -1.42 -0.11 0.00 -1.16 0.00 0.00 32.46 30.43 3ije n ARG 122 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3ije s GLU 123 N -0.37 3.81 -1.35 5.56 2.02 -0.60 -4.78 118.70 122.99 3ije s GLU 123 Ca 0.34 -0.43 -0.16 0.00 0.02 0.00 0.00 54.97 54.74 3ije s GLU 123 Cb 0.12 -3.15 0.07 0.00 0.10 0.00 0.00 34.13 31.27 3ije s GLU 123 CO -0.15 0.16 1.90 -0.35 0.02 0.00 0.00 175.26 176.84 3ije n PRO 124 N 3.84 3.10 0.06 0.39 -0.04 -1.15 -0.20 135.00 141.00 3ije n PRO 124 Ca -0.17 -3.08 -0.05 0.00 -0.04 0.00 0.00 63.50 60.17 3ije n PRO 124 Cb 0.52 -3.39 0.15 0.00 -0.04 0.00 0.00 33.50 30.74 3ije n PRO 124 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3ije h VAL 125 N 4.93 1.34 -0.04 0.52 -1.51 -1.35 -0.45 116.25 119.69 3ije h VAL 125 Ca 0.48 -1.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 3ije h VAL 125 Cb 0.78 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3ije h VAL 125 CO 1.60 0.52 -0.01 0.61 -1.23 0.00 0.00 177.57 179.07 3ije n GLY 126 N 0.06 -2.79 3.21 5.19 0.00 -0.79 -0.14 105.19 109.93 3ije n GLY 126 Ca -0.02 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 3ije n GLY 126 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ije s THR 127 N -3.97 0.11 0.26 2.61 -1.32 -1.07 -4.53 115.64 107.72 3ije s THR 127 Ca 0.00 -1.63 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 3ije s THR 127 Cb 0.00 -1.81 -0.05 0.00 -1.51 0.00 0.00 72.50 69.13 3ije s THR 127 CO 0.00 -0.51 0.04 0.00 -2.21 0.00 0.00 174.62 171.94 3ije s PHE 129 N -3.50 0.81 -0.22 0.00 0.40 0.88 -1.03 117.98 115.32 3ije s PHE 129 Ca 0.33 -0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.37 3ije s PHE 129 Cb 0.07 -0.69 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 3ije s PHE 129 CO 0.11 -0.19 -0.01 -1.17 0.70 0.00 0.00 175.22 174.67 3ije s LEU 130 N 0.82 3.11 0.15 -0.37 2.96 0.65 -1.82 118.68 124.18 3ije s LEU 130 Ca -0.12 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3ije s LEU 130 Cb -0.14 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3ije s LEU 130 CO 0.01 0.00 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.44 3ije s GLN 131 N 1.37 2.38 -0.31 1.98 0.74 -0.61 -1.00 119.66 124.22 3ije s GLN 131 Ca 0.05 -1.04 0.04 0.00 0.05 0.00 0.00 55.36 54.45 3ije s GLN 131 Cb -0.15 -2.38 0.17 0.00 1.10 0.00 0.00 33.01 31.76 3ije s GLN 131 CO -0.00 0.48 0.48 0.34 -0.55 0.00 0.00 175.29 176.04 3ije s ASP 132 N -2.70 -0.33 1.70 6.67 3.68 0.02 -2.26 116.67 123.44 3ije s ASP 132 Ca 0.26 -0.34 0.00 0.00 2.13 0.00 0.00 52.55 54.60 3ije s ASP 132 Cb -0.10 1.42 0.00 0.00 -1.45 0.00 0.00 42.92 42.79 3ije s ASP 132 CO 0.18 -0.32 0.00 0.61 0.13 0.00 0.00 175.17 175.77 3ije n GLY 133 N 5.21 1.61 0.11 2.66 0.00 -1.26 -2.70 105.19 110.81 3ije n GLY 133 Ca 0.04 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3ije n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ije n THR 134 N 0.00 1.39 -1.67 2.61 -2.24 -1.26 -4.93 114.28 108.18 3ije n THR 134 Ca 0.00 -0.73 -0.49 0.00 -2.27 0.00 0.00 64.05 60.56 3ije n THR 134 Cb 0.00 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.36 3ije n THR 134 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ije n LYS 135 N -2.92 1.95 -4.12 -0.78 3.00 -1.10 -5.00 118.16 109.19 3ije n LYS 135 Ca -0.37 0.71 -0.19 0.00 -0.00 0.00 0.00 58.31 58.47 3ije n LYS 135 Cb 1.08 -2.49 -0.16 0.00 0.00 0.00 0.00 35.03 33.46 3ije n LYS 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3ije s THR 136 N 2.53 0.44 0.13 3.15 2.01 -1.26 -0.80 115.64 121.84 3ije s THR 136 Ca 0.88 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.87 3ije s THR 136 Cb -0.75 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3ije s THR 136 CO 0.48 0.19 -0.22 0.68 -0.69 0.00 0.00 174.62 175.06 3ije s VAL 137 N 0.77 1.90 -0.16 3.82 -7.23 -0.17 -4.97 120.40 114.35 3ije s VAL 137 Ca -0.10 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 3ije s VAL 137 Cb -0.13 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 3ije s VAL 137 CO -0.00 -0.10 0.20 -0.70 -0.31 0.00 0.00 175.10 174.19 3ije s GLU 138 N -2.21 4.04 -0.27 4.82 2.12 -1.26 -0.25 118.70 125.69 3ije s GLU 138 Ca 0.11 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.39 3ije s GLU 138 Cb -0.09 -3.36 0.07 0.00 0.26 0.00 0.00 34.13 31.01 3ije s GLU 138 CO 0.06 0.40 -0.04 -0.47 -0.54 0.00 0.00 175.26 174.67 3ije s TYR 139 N 0.03 2.84 -0.47 5.30 5.04 -0.20 -4.96 117.35 124.93 3ije s TYR 139 Ca 0.13 -2.14 0.08 0.00 -2.44 0.00 0.00 57.07 52.70 3ije s TYR 139 Cb -0.12 -1.93 0.31 0.00 0.35 0.00 0.00 41.96 40.57 3ije s TYR 139 CO 0.02 -0.84 0.74 0.00 -1.34 0.00 0.00 175.55 174.12 3ije n ALA 140 N 4.54 3.06 -0.29 3.97 0.00 -1.26 -0.76 120.51 129.77 3ije n ALA 140 Ca -0.09 -3.92 0.08 0.00 0.00 0.00 0.00 53.44 49.51 3ije n ALA 140 Cb 0.43 -0.85 0.24 0.00 0.00 0.00 0.00 19.45 19.27 3ije n ALA 140 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ije h PRO 141 N 3.41 0.54 0.00 0.00 0.13 -1.94 -0.28 132.00 133.87 3ije h PRO 141 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3ije h PRO 141 Cb 0.79 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ije h PRO 141 CO 0.62 0.36 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 3ije n ARG 143 N -2.35 3.19 -2.02 0.00 0.63 -0.12 -4.70 116.66 111.30 3ije n ARG 143 Ca 0.02 -3.25 -0.00 0.00 -0.92 0.00 0.00 57.85 53.69 3ije n ARG 143 Cb 0.24 -3.31 -0.00 0.00 0.45 0.00 0.00 32.46 29.84 3ije n ARG 143 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3ije n SER 144 N 6.93 1.95 -0.08 6.15 3.41 -1.26 -4.28 113.62 126.44 3ije n SER 144 Ca 0.47 -1.01 0.05 0.00 -0.26 0.00 0.00 58.87 58.12 3ije n SER 144 Cb 0.43 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.67 3ije n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ije n GLN 145 N -0.01 1.10 -3.10 4.33 3.00 -1.26 -4.52 117.38 116.92 3ije n GLN 145 Ca -0.00 -0.15 -0.45 0.00 -0.01 0.00 0.00 57.00 56.39 3ije n GLN 145 Cb 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 30.24 29.04 3ije n GLN 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3ije s ASP 146 N -1.31 6.68 -0.39 1.08 3.68 -1.26 -4.96 116.67 120.18 3ije s ASP 146 Ca 0.17 -2.30 0.05 0.00 2.13 0.00 0.00 52.55 52.59 3ije s ASP 146 Cb 0.08 -2.32 0.45 0.00 -1.45 0.00 0.00 42.92 39.68 3ije s ASP 146 CO 0.13 -0.86 1.34 2.30 0.13 0.00 0.00 175.17 178.21 3ije n ILE 147 N 4.86 2.72 -3.42 4.11 -6.64 -1.26 -1.22 119.36 118.51 3ije n ILE 147 Ca 0.19 -4.13 0.00 0.00 -1.77 0.00 0.00 62.75 57.04 3ije n ILE 147 Cb 0.48 -1.17 0.00 0.00 -1.44 0.00 0.00 39.64 37.51 3ije n ILE 147 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 3ije n ASP 148 N -0.70 0.00 -0.05 7.28 10.43 -1.26 -4.71 116.55 127.53 3ije n ASP 148 Ca 0.47 -0.94 0.02 0.00 2.57 0.00 0.00 54.79 56.90 3ije n ASP 148 Cb 0.85 0.00 0.34 0.00 1.84 0.00 0.00 41.12 44.15 3ije n ASP 148 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ije h ALA 149 N 1.53 1.54 0.00 2.24 0.00 -1.94 0.52 119.26 123.14 3ije h ALA 149 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3ije h ALA 149 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ije h ALA 149 CO 0.00 0.38 -0.27 0.38 0.00 0.00 0.00 179.25 179.74 3ije h ASP 150 N 0.65 0.00 0.00 0.00 2.03 -1.93 0.87 116.42 118.04 3ije h ASP 150 Ca 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 3ije h ASP 150 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 3ije h ASP 150 CO -0.02 0.27 0.00 0.61 -1.03 0.00 0.00 179.24 179.07 3ije n GLY 151 N -0.11 0.89 1.00 7.15 0.00 -0.71 -4.20 105.19 109.22 3ije n GLY 151 Ca -0.01 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.64 3ije n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ije n GLN 152 N 0.00 3.18 -0.30 1.61 6.02 -0.36 -0.86 117.38 126.68 3ije n GLN 152 Ca 0.00 -2.79 0.02 0.00 -0.01 0.00 0.00 57.00 54.22 3ije n GLN 152 Cb 0.00 -1.83 0.16 0.00 1.02 0.00 0.00 30.24 29.59 3ije n GLN 152 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3ije h GLY 153 N 2.17 1.29 -2.60 1.08 0.00 -0.06 -2.63 103.07 102.32 3ije h GLY 153 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 47.33 46.71 3ije h GLY 153 CO 0.23 0.17 0.08 0.69 0.00 0.00 0.00 176.54 177.71 3ije n PHE 154 N -4.71 1.64 -0.27 5.60 3.01 -1.25 -2.79 117.46 118.70 3ije n PHE 154 Ca 0.13 -1.73 -0.05 0.00 1.01 0.00 0.00 57.45 56.81 3ije n PHE 154 Cb 0.25 -0.62 0.06 0.00 -0.01 0.00 0.00 39.48 39.16 3ije n PHE 154 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ije n GLN 156 N -4.44 -5.74 -1.81 0.00 6.02 -0.18 -1.75 117.38 109.47 3ije n GLN 156 Ca 0.07 0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 3ije n GLN 156 Cb 0.10 -5.46 -0.02 0.00 1.02 0.00 0.00 30.24 25.89 3ije n GLN 156 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ije s GLY 157 N -3.91 1.98 0.00 1.08 0.00 0.80 -2.49 107.32 104.78 3ije s GLY 157 Ca 0.28 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.53 3ije s GLY 157 CO 0.80 2.57 0.00 0.61 0.00 0.00 0.00 173.10 177.07 3ije n GLY 158 N 2.51 0.63 0.37 0.20 0.00 -0.94 -3.50 105.19 104.46 3ije n GLY 158 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3ije n GLY 158 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ije h PHE 159 N 0.00 0.68 -3.00 1.61 3.57 -1.27 -3.42 116.94 115.11 3ije h PHE 159 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3ije h PHE 159 Cb 0.00 -0.22 -0.24 0.00 2.79 0.00 0.00 35.95 38.29 3ije h PHE 159 CO 0.00 0.28 -0.33 -1.54 -2.23 0.00 0.00 178.31 174.49 3ije s SER 160 N -5.93 -0.29 0.15 0.41 1.04 -1.25 -4.88 113.70 102.95 3ije s SER 160 Ca -0.09 0.48 -0.04 0.00 0.48 0.00 0.00 55.95 56.78 3ije s SER 160 Cb 0.21 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 3ije s SER 160 CO 0.78 -0.20 0.16 0.27 0.98 0.00 0.00 173.24 175.23 3ije s ILE 161 N -0.23 0.08 -0.24 -1.02 -4.36 -1.26 0.39 121.20 114.55 3ije s ILE 161 Ca -0.04 -1.70 -0.27 0.00 -0.26 0.00 0.00 60.65 58.38 3ije s ILE 161 Cb -0.03 -2.02 0.12 0.00 1.25 0.00 0.00 42.46 41.78 3ije s ILE 161 CO 0.01 -0.34 1.01 -0.62 0.24 0.00 0.00 174.94 175.24 3ije s ASP 162 N -3.03 -0.43 0.08 4.36 2.15 -0.37 -4.90 116.67 114.52 3ije s ASP 162 Ca 0.23 0.73 -0.11 0.00 0.43 0.00 0.00 52.55 53.83 3ije s ASP 162 Cb 0.06 0.70 -0.06 0.00 -0.30 0.00 0.00 42.92 43.32 3ije s ASP 162 CO 0.02 -0.22 0.42 -0.36 -0.17 0.00 0.00 175.17 174.86 3ije s PHE 163 N -0.22 3.60 0.29 -5.34 0.40 -1.26 0.40 117.98 115.85 3ije s PHE 163 Ca 0.01 0.84 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 3ije s PHE 163 Cb -0.03 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3ije s PHE 163 CO -0.03 0.52 0.48 0.95 0.70 0.00 0.00 175.22 177.84 3ije s THR 164 N -1.37 5.14 0.77 0.64 -4.23 -0.33 -4.90 115.64 111.36 3ije s THR 164 Ca 0.33 -0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 60.26 3ije s THR 164 Cb -0.14 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 69.93 3ije s THR 164 CO 0.18 -0.40 1.12 1.17 -0.54 0.00 0.00 174.62 176.15 3ije n LYS 165 N -1.32 0.38 0.00 3.99 4.81 -1.26 -3.91 118.16 120.85 3ije n LYS 165 Ca -0.05 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3ije n LYS 165 Cb 0.55 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.23 3ije n LYS 165 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ije n ALA 166 N -2.90 0.00 -3.42 3.14 0.00 -1.26 -4.68 120.51 111.39 3ije n ALA 166 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3ije n ALA 166 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 3ije n ALA 166 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ije s ASP 167 N -4.00 1.13 -0.28 0.00 3.68 -1.25 -5.12 116.67 110.83 3ije s ASP 167 Ca 0.00 -0.28 -0.22 0.00 2.13 0.00 0.00 52.55 54.18 3ije s ASP 167 Cb 0.00 0.64 0.12 0.00 -1.45 0.00 0.00 42.92 42.23 3ije s ASP 167 CO 0.00 -0.34 0.94 -0.60 0.13 0.00 0.00 175.17 175.30 3ije s ARG 168 N 2.40 0.55 -0.10 4.34 3.52 -1.26 -3.20 118.95 125.21 3ije s ARG 168 Ca 0.09 0.73 -0.14 0.00 -0.13 0.00 0.00 55.73 56.28 3ije s ARG 168 Cb -0.15 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.42 3ije s ARG 168 CO -0.20 -0.08 0.34 0.08 -0.81 0.00 0.00 175.30 174.63 3ije s VAL 169 N 0.60 5.22 -0.18 7.11 1.01 0.80 -1.18 120.40 133.78 3ije s VAL 169 Ca -0.01 0.67 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 3ije s VAL 169 Cb -0.05 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3ije s VAL 169 CO -0.08 0.47 0.11 -0.22 0.00 0.00 0.00 175.10 175.37 3ije s LEU 170 N -0.17 4.10 -0.03 3.92 0.20 0.16 -1.50 118.68 125.37 3ije s LEU 170 Ca 0.20 0.22 0.03 0.00 0.69 0.00 0.00 54.13 55.27 3ije s LEU 170 Cb -0.14 -2.04 0.00 0.00 -0.43 0.00 0.00 46.19 43.58 3ije s LEU 170 CO 0.08 0.22 -0.10 -0.22 -0.29 0.00 0.00 176.35 176.03 3ije s LEU 171 N 0.13 1.81 -0.22 -0.68 0.20 0.06 -1.24 118.68 118.74 3ije s LEU 171 Ca 0.08 -0.21 -0.08 0.00 0.69 0.00 0.00 54.13 54.60 3ije s LEU 171 Cb -0.12 -0.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.99 3ije s LEU 171 CO -0.00 0.08 0.09 -0.83 -0.29 0.00 0.00 176.35 175.40 3ije s GLY 172 N 0.16 1.87 -0.53 7.98 0.00 0.16 -1.53 107.32 115.43 3ije s GLY 172 Ca -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.79 3ije s GLY 172 CO 0.01 0.33 0.31 -0.32 0.00 0.00 0.00 173.10 173.43 3ije s GLY 173 N 1.03 2.24 0.00 0.20 0.00 0.14 -2.22 107.32 108.71 3ije s GLY 173 Ca 0.05 -3.14 0.18 0.00 0.00 0.00 0.00 44.72 41.81 3ije s GLY 173 CO 0.03 1.27 1.52 -1.55 0.00 0.00 0.00 173.10 174.37 3ije n PRO 174 N 2.96 0.39 0.00 2.90 -0.04 -1.04 0.38 135.00 140.55 3ije n PRO 174 Ca 0.11 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 3ije n PRO 174 Cb 0.35 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 3ije n PRO 174 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ije n GLY 175 N 0.19 -0.15 3.76 0.55 0.00 -0.72 -3.71 105.19 105.12 3ije n GLY 175 Ca 0.11 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 3ije n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ije s SER 176 N -1.93 5.82 -0.96 1.61 0.01 -1.17 -2.05 113.70 115.02 3ije s SER 176 Ca 0.09 2.79 -0.08 0.00 1.31 0.00 0.00 55.95 60.05 3ije s SER 176 Cb 0.11 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 3ije s SER 176 CO 0.43 -1.20 0.78 0.49 0.41 0.00 0.00 173.24 174.15 3ije n PHE 177 N -0.37 -2.40 -3.79 2.43 0.99 -0.04 -1.29 117.46 113.00 3ije n PHE 177 Ca 0.06 0.81 -0.24 0.00 -0.00 0.00 0.00 57.45 58.08 3ije n PHE 177 Cb 0.43 -3.75 0.03 0.00 -1.00 0.00 0.00 39.48 35.19 3ije n PHE 177 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3ije n TYR 178 N -3.04 -2.02 -1.71 1.38 4.02 0.30 -2.05 117.16 114.05 3ije n TYR 178 Ca -0.08 0.85 -0.21 0.00 -0.01 0.00 0.00 57.90 58.45 3ije n TYR 178 Cb 0.58 -4.22 -0.08 0.00 -0.02 0.00 0.00 39.34 35.61 3ije n TYR 178 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3ije n TRP 179 N -4.41 -0.14 -0.25 -0.72 8.01 -0.87 -1.39 117.44 117.67 3ije n TRP 179 Ca -0.20 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 55.94 3ije n TRP 179 Cb 0.63 -3.51 0.05 0.00 -2.01 0.00 0.00 31.31 26.48 3ije n TRP 179 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 3ije h GLN 180 N 0.00 0.93 0.00 -0.99 4.20 -0.81 0.24 115.11 118.68 3ije h GLN 180 Ca -0.43 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.20 3ije h GLN 180 Cb 1.34 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3ije h GLN 180 CO 0.61 0.66 0.00 0.41 -0.67 0.00 0.00 178.83 179.84 3ije n GLY 181 N -1.18 1.64 3.46 3.46 0.00 -0.41 -1.06 105.19 111.09 3ije n GLY 181 Ca 0.06 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 3ije n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ije s GLN 182 N -2.11 0.73 -0.11 1.61 0.74 0.16 -4.65 119.66 116.02 3ije s GLN 182 Ca 0.00 0.60 -0.02 0.00 0.05 0.00 0.00 55.36 55.99 3ije s GLN 182 Cb 0.00 0.35 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 3ije s GLN 182 CO 0.00 -0.13 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.08 3ije s LEU 183 N -0.11 3.40 -0.02 3.68 1.02 -1.26 0.29 118.68 125.67 3ije s LEU 183 Ca -0.03 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.15 3ije s LEU 183 Cb -0.03 -1.79 0.01 0.00 0.02 0.00 0.00 46.19 44.39 3ije s LEU 183 CO 0.03 0.29 -0.05 -0.63 0.02 0.00 0.00 176.35 176.00 3ije s ILE 184 N -0.35 0.49 -0.01 -0.59 1.01 -0.58 -1.56 121.20 119.60 3ije s ILE 184 Ca 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3ije s ILE 184 Cb -0.12 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 3ije s ILE 184 CO 0.02 0.18 -0.16 -0.55 0.00 0.00 0.00 174.94 174.43 3ije s SER 185 N 0.39 1.90 0.01 3.58 0.15 0.19 -0.76 113.70 119.16 3ije s SER 185 Ca -0.05 -0.29 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 3ije s SER 185 Cb -0.09 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 63.98 3ije s SER 185 CO -0.00 0.19 0.02 -1.81 1.20 0.00 0.00 173.24 172.84 3ije s ASP 186 N -0.34 0.14 -0.02 5.45 -0.00 -0.56 -1.07 116.67 120.27 3ije s ASP 186 Ca 0.05 -0.33 -0.30 0.00 -0.00 0.00 0.00 52.55 51.97 3ije s ASP 186 Cb -0.07 0.12 -0.05 0.00 -0.00 0.00 0.00 42.92 42.93 3ije s ASP 186 CO -0.00 -0.26 1.38 -1.10 -0.00 0.00 0.00 175.17 175.18 3ije s GLN 187 N -1.18 4.28 0.25 8.23 -0.21 -1.26 -0.14 119.66 129.64 3ije s GLN 187 Ca -0.13 1.92 -0.03 0.00 0.02 0.00 0.00 55.36 57.14 3ije s GLN 187 Cb -0.08 -3.60 0.51 0.00 1.00 0.00 0.00 33.01 30.84 3ije s GLN 187 CO -0.00 -0.58 1.70 0.28 -2.12 0.00 0.00 175.29 174.57 3ije h VAL 188 N 4.99 0.55 -0.95 1.09 2.07 -1.90 0.26 116.25 122.37 3ije h VAL 188 Ca -0.37 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.15 3ije h VAL 188 Cb 1.17 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3ije h VAL 188 CO 0.91 0.06 0.58 0.00 0.02 0.00 0.00 177.57 179.14 3ije h ALA 189 N 1.61 1.42 -0.24 1.67 0.00 -1.91 -2.54 119.26 119.27 3ije h ALA 189 Ca 0.44 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3ije h ALA 189 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ije h ALA 189 CO -0.48 0.16 0.04 1.49 0.00 0.00 0.00 179.25 180.46 3ije h GLU 190 N 0.91 0.39 0.04 0.00 4.57 -0.89 0.12 114.58 119.71 3ije h GLU 190 Ca 0.48 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.58 3ije h GLU 190 Cb 0.49 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3ije h GLU 190 CO -0.28 0.52 -0.21 0.82 -1.18 0.00 0.00 179.01 178.68 3ije h ILE 191 N 0.20 0.51 -0.50 2.32 5.03 -0.93 0.14 117.51 124.28 3ije h ILE 191 Ca 0.07 0.00 -0.09 0.00 -0.12 0.00 0.00 64.86 64.73 3ije h ILE 191 Cb 0.31 0.51 -0.02 0.00 -3.03 0.00 0.00 36.82 34.60 3ije h ILE 191 CO 0.00 0.00 -0.03 -0.37 -0.68 0.00 0.00 178.15 177.08 3ije h VAL 192 N -0.36 1.27 0.26 1.67 -1.51 -1.50 -2.81 116.25 113.27 3ije h VAL 192 Ca 0.05 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 3ije h VAL 192 Cb 0.42 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3ije h VAL 192 CO -0.17 0.39 -0.13 -1.28 -1.23 0.00 0.00 177.57 175.16 3ije h SER 193 N 0.77 -0.30 -0.10 4.19 0.87 -0.51 -3.09 113.55 115.37 3ije h SER 193 Ca 0.14 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3ije h SER 193 Cb 0.56 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3ije h SER 193 CO 0.03 -0.11 0.00 0.29 -0.53 0.00 0.00 176.83 176.52 3ije n LYS 194 N -5.19 1.60 -1.73 2.24 5.02 0.45 -4.91 118.16 115.64 3ije n LYS 194 Ca -0.10 -0.89 -0.42 0.00 -2.02 0.00 0.00 58.31 54.88 3ije n LYS 194 Cb 0.20 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3ije n LYS 194 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3ije s TYR 195 N -1.88 2.86 -0.09 2.13 6.14 -1.06 -4.95 117.35 120.51 3ije s TYR 195 Ca 0.34 0.44 -0.03 0.00 0.64 0.00 0.00 57.07 58.46 3ije s TYR 195 Cb 0.18 -4.13 0.05 0.00 0.42 0.00 0.00 41.96 38.47 3ije s TYR 195 CO 0.28 -4.18 0.14 0.34 0.64 0.00 0.00 175.55 172.77 3ije s ASP 196 N 1.02 0.98 0.46 4.32 3.68 -1.26 -5.04 116.67 120.83 3ije s ASP 196 Ca 0.72 0.18 0.31 0.00 2.13 0.00 0.00 52.55 55.89 3ije s ASP 196 Cb -0.50 0.17 1.23 0.00 -1.45 0.00 0.00 42.92 42.38 3ije s ASP 196 CO 0.36 -0.26 1.90 1.55 0.13 0.00 0.00 175.17 178.85 3ije h PRO 197 N 8.38 0.00 -0.07 4.34 0.13 -2.00 -2.42 132.00 140.36 3ije h PRO 197 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3ije h PRO 197 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ije h PRO 197 CO 0.16 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.02 3ije n ASN 198 N -2.85 1.04 -3.96 1.44 3.02 -1.26 -4.73 115.26 107.97 3ije n ASN 198 Ca 0.01 -1.51 -0.28 0.00 -0.03 0.00 0.00 54.58 52.77 3ije n ASN 198 Cb 0.29 -0.04 -0.17 0.00 -0.61 0.00 0.00 39.78 39.25 3ije n ASN 198 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ije s VAL 199 N -1.91 1.23 -0.56 2.41 1.01 -0.91 -5.02 120.40 116.65 3ije s VAL 199 Ca 0.34 -0.43 0.24 0.00 0.00 0.00 0.00 61.98 62.14 3ije s VAL 199 Cb 0.18 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.50 3ije s VAL 199 CO 0.28 0.40 1.42 1.88 0.00 0.00 0.00 175.10 179.08 3ije h TYR 200 N 8.04 0.00 -2.89 5.22 0.05 -1.85 -3.40 116.97 122.14 3ije h TYR 200 Ca -0.33 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.84 3ije h TYR 200 Cb 1.14 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.47 3ije h TYR 200 CO 0.47 0.00 -0.68 0.43 -1.05 0.00 0.00 178.16 177.34 3ije n SER 201 N -2.39 2.11 -4.74 3.88 7.64 -1.26 -4.79 113.62 114.07 3ije n SER 201 Ca 0.03 -3.00 -0.41 0.00 1.01 0.00 0.00 58.87 56.51 3ije n SER 201 Cb 0.47 -0.70 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 3ije n SER 201 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ije s ILE 202 N -1.08 4.44 -0.42 0.44 1.01 -1.26 -5.00 121.20 119.33 3ije s ILE 202 Ca 0.27 2.00 -0.08 0.00 0.00 0.00 0.00 60.65 62.84 3ije s ILE 202 Cb -0.02 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.24 3ije s ILE 202 CO -0.18 0.37 0.25 -0.54 0.00 0.00 0.00 174.94 174.84 3ije s LYS 203 N -0.29 2.54 0.38 2.79 1.02 -1.26 -4.98 119.74 119.95 3ije s LYS 203 Ca 0.44 -1.50 -0.22 0.00 0.02 0.00 0.00 55.97 54.71 3ije s LYS 203 Cb -0.23 -3.75 -0.10 0.00 -0.52 0.00 0.00 37.83 33.22 3ije s LYS 203 CO 0.29 -0.96 0.93 0.71 -0.92 0.00 0.00 175.35 175.40 3ije s TYR 204 N 1.39 3.45 -0.12 3.18 1.51 -1.26 -5.00 117.35 120.50 3ije s TYR 204 Ca 0.03 1.64 -0.25 0.00 -1.01 0.00 0.00 57.07 57.49 3ije s TYR 204 Cb -0.23 -2.85 -0.27 0.00 -0.11 0.00 0.00 41.96 38.50 3ije s TYR 204 CO 0.01 0.02 0.71 -0.97 -1.11 0.00 0.00 175.55 174.22 3ije h ASN 205 N 2.38 0.16 -1.21 2.29 -0.00 -1.98 -3.31 115.58 113.92 3ije h ASN 205 Ca -0.48 -0.91 -0.68 0.00 -0.00 0.00 0.00 56.30 54.22 3ije h ASN 205 Cb 1.18 -0.05 -0.30 0.00 -0.00 0.00 0.00 38.32 39.15 3ije h ASN 205 CO 0.63 1.22 0.71 0.59 -0.00 0.00 0.00 177.43 180.59 3ije n ASN 206 N -4.39 7.33 -4.76 1.15 4.13 -1.26 -5.00 115.26 112.47 3ije n ASN 206 Ca -0.15 -3.79 -0.40 0.00 1.68 0.00 0.00 54.58 51.91 3ije n ASN 206 Cb 0.64 -0.92 -0.04 0.00 -1.54 0.00 0.00 39.78 37.91 3ije n ASN 206 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3ije s GLN 207 N -3.85 4.63 -0.10 3.52 0.74 -1.25 -4.63 119.66 118.72 3ije s GLN 207 Ca 0.60 1.80 0.02 0.00 0.05 0.00 0.00 55.36 57.84 3ije s GLN 207 Cb 0.48 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 31.38 3ije s GLN 207 CO -0.10 0.18 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.15 3ije s LEU 208 N -1.27 2.59 -0.16 3.68 1.02 -0.23 -4.99 118.68 119.33 3ije s LEU 208 Ca 0.45 -0.33 -0.13 0.00 0.02 0.00 0.00 54.13 54.14 3ije s LEU 208 Cb -0.32 -1.55 0.04 0.00 0.02 0.00 0.00 46.19 44.38 3ije s LEU 208 CO 0.40 0.22 0.41 0.00 0.02 0.00 0.00 176.35 177.40 3ije s ALA 209 N -0.00 -1.01 0.46 4.21 0.00 -1.26 0.56 121.76 124.71 3ije s ALA 209 Ca -0.05 1.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 3ije s ALA 209 Cb -0.14 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.20 3ije s ALA 209 CO 0.04 -0.20 1.22 0.95 0.00 0.00 0.00 175.76 177.77 3ije s THR 210 N 0.40 2.87 0.30 0.00 -4.23 -0.60 -4.90 115.64 109.48 3ije s THR 210 Ca -0.01 0.68 0.07 0.00 -1.18 0.00 0.00 61.69 61.24 3ije s THR 210 Cb -0.04 -3.35 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 3ije s THR 210 CO -0.01 0.01 0.34 -0.13 -0.54 0.00 0.00 174.62 174.29 3ije s ARG 211 N -2.64 3.01 0.66 3.99 0.52 -1.26 -4.76 118.95 118.47 3ije s ARG 211 Ca 0.64 -1.07 -0.17 0.00 -0.52 0.00 0.00 55.73 54.61 3ije s ARG 211 Cb -0.32 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 3ije s ARG 211 CO 0.39 0.21 1.07 -2.37 0.02 0.00 0.00 175.30 174.62 3ije n THR 212 N -1.42 3.84 -3.96 0.02 5.66 -1.26 -5.04 114.28 112.11 3ije n THR 212 Ca -0.04 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3ije n THR 212 Cb 0.58 -1.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 3ije n THR 212 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ije n ALA 213 N -2.09 0.00 -1.08 1.79 0.00 -1.26 -5.15 120.51 112.72 3ije n ALA 213 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 3ije n ALA 213 Cb 0.48 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.09 3ije n ALA 213 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ije s GLN 214 N -1.88 0.96 0.37 0.00 1.11 -1.26 -4.94 119.66 114.02 3ije s GLN 214 Ca 0.00 0.89 0.27 0.00 0.01 0.00 0.00 55.36 56.53 3ije s GLN 214 Cb 0.00 -1.77 0.88 0.00 -1.01 0.00 0.00 33.01 31.11 3ije s GLN 214 CO 0.00 -2.46 1.77 0.00 0.01 0.00 0.00 175.29 174.61 3ije h ALA 215 N -1.71 1.00 -0.39 6.09 0.00 -2.00 -2.60 119.26 119.65 3ije h ALA 215 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3ije h ALA 215 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3ije h ALA 215 CO 0.53 0.00 0.26 -0.84 0.00 0.00 0.00 179.25 179.19 3ije h ILE 216 N 0.00 1.08 0.00 0.00 -2.65 -2.03 -2.30 117.51 111.62 3ije h ILE 216 Ca 0.00 -0.17 0.00 0.00 1.03 0.00 0.00 64.86 65.72 3ije h ILE 216 Cb 0.66 0.54 0.00 0.00 -2.05 0.00 0.00 36.82 35.97 3ije h ILE 216 CO 0.00 0.09 0.00 0.49 0.03 0.00 0.00 178.15 178.76 3ije n PHE 217 N -4.48 0.00 -1.17 0.16 3.72 -0.98 -4.87 117.46 109.84 3ije n PHE 217 Ca 0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.10 3ije n PHE 217 Cb 0.08 -0.02 0.12 0.00 -0.94 0.00 0.00 39.48 38.72 3ije n PHE 217 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ije s ASP 218 N -2.04 3.82 -1.32 4.37 -0.00 -0.87 -3.53 116.67 117.11 3ije s ASP 218 Ca 0.40 2.22 -0.05 0.00 -0.00 0.00 0.00 52.55 55.12 3ije s ASP 218 Cb 0.19 -2.57 -0.00 0.00 -0.00 0.00 0.00 42.92 40.53 3ije s ASP 218 CO 0.32 -2.50 0.57 0.47 -0.00 0.00 0.00 175.17 174.03 3ije n ASP 219 N -3.34 -1.66 -0.06 0.27 8.00 -0.48 -4.78 116.55 114.49 3ije n ASP 219 Ca 0.12 -0.96 -0.06 0.00 0.71 0.00 0.00 54.79 54.60 3ije n ASP 219 Cb 0.51 -3.39 -0.11 0.00 -0.02 0.00 0.00 41.12 38.11 3ije n ASP 219 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ije n SER 220 N -2.94 1.50 -2.56 -2.24 7.64 0.71 -4.64 113.62 111.10 3ije n SER 220 Ca -0.26 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.51 3ije n SER 220 Cb 0.66 0.92 0.06 0.00 -1.01 0.00 0.00 64.21 64.84 3ije n SER 220 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3ije n TYR 221 N -2.48 -1.41 -1.78 1.43 0.53 -0.45 -1.66 117.16 111.34 3ije n TYR 221 Ca -0.21 0.60 -0.41 0.00 -1.02 0.00 0.00 57.90 56.86 3ije n TYR 221 Cb 0.91 -3.97 -0.00 0.00 -1.03 0.00 0.00 39.34 35.24 3ije n TYR 221 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3ije s LEU 222 N -4.79 4.32 0.00 7.72 2.96 -0.22 -2.37 118.68 126.30 3ije s LEU 222 Ca 0.01 3.04 0.00 0.00 -0.22 0.00 0.00 54.13 56.96 3ije s LEU 222 Cb -0.00 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3ije s LEU 222 CO 0.47 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 3ije n GLY 223 N 0.98 0.48 0.14 7.98 0.00 -1.20 -2.61 105.19 110.97 3ije n GLY 223 Ca 0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3ije n GLY 223 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ije h TYR 224 N 0.00 0.39 -2.72 1.61 3.20 -1.44 -3.38 116.97 114.63 3ije h TYR 224 Ca 0.00 0.01 -0.48 0.00 3.14 0.00 0.00 58.73 61.40 3ije h TYR 224 Cb 0.00 -0.13 -0.14 0.00 1.54 0.00 0.00 36.73 38.00 3ije h TYR 224 CO 0.00 0.24 -0.66 -1.54 -1.64 0.00 0.00 178.16 174.56 3ije s SER 225 N -5.47 2.63 -0.01 -2.11 1.04 -1.25 -4.53 113.70 103.99 3ije s SER 225 Ca -0.13 -1.23 -0.24 0.00 0.48 0.00 0.00 55.95 54.83 3ije s SER 225 Cb 0.10 -0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.13 3ije s SER 225 CO 0.71 -0.41 0.53 0.54 0.98 0.00 0.00 173.24 175.59 3ije s VAL 226 N -3.10 0.02 0.05 5.02 0.11 -1.26 -2.71 120.40 118.54 3ije s VAL 226 Ca 0.31 -0.21 -0.26 0.00 -2.93 0.00 0.00 61.98 58.89 3ije s VAL 226 Cb 0.05 -0.90 0.07 0.00 -1.53 0.00 0.00 36.38 34.07 3ije s VAL 226 CO 0.12 -0.11 0.62 0.00 -3.33 0.00 0.00 175.10 172.40 3ije s ALA 227 N -1.68 -1.63 0.08 1.54 0.00 -0.30 -4.77 121.76 114.99 3ije s ALA 227 Ca -0.10 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.80 3ije s ALA 227 Cb -0.01 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3ije s ALA 227 CO 0.04 -0.56 -0.19 0.14 0.00 0.00 0.00 175.76 175.20 3ije s VAL 228 N -2.45 1.53 0.00 0.00 -7.23 -1.26 -0.51 120.40 110.48 3ije s VAL 228 Ca -0.05 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3ije s VAL 228 Cb -0.01 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3ije s VAL 228 CO -0.01 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3ije n GLY 229 N 1.37 1.88 3.71 2.32 0.00 -0.74 -4.67 105.19 109.06 3ije n GLY 229 Ca -0.19 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 3ije n GLY 229 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ije s ASP 230 N 0.00 7.06 0.00 1.61 3.68 -1.26 -0.26 116.67 127.50 3ije s ASP 230 Ca 0.00 1.28 0.00 0.00 2.13 0.00 0.00 52.55 55.96 3ije s ASP 230 Cb 0.00 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 3ije s ASP 230 CO 0.00 -0.17 0.00 0.49 0.13 0.00 0.00 175.17 175.62 3ije n PHE 231 N 3.93 0.00 -2.35 -5.34 3.72 -1.26 -4.38 117.46 111.79 3ije n PHE 231 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 3ije n PHE 231 Cb 0.51 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 3ije n PHE 231 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ije s ASN 232 N -3.17 5.95 0.50 4.37 4.22 -1.26 -4.87 114.94 120.69 3ije s ASN 232 Ca 0.00 -1.38 0.00 0.00 -2.14 0.00 0.00 52.86 49.34 3ije s ASN 232 Cb 0.00 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 39.96 3ije s ASN 232 CO 0.00 -2.03 0.00 0.61 -2.04 0.00 0.00 177.10 173.64 3ije n GLY 233 N 6.53 2.49 3.89 0.45 0.00 -1.26 -4.67 105.19 112.62 3ije n GLY 233 Ca 0.39 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 46.49 3ije n GLY 233 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ije s ASP 234 N -4.00 4.67 0.00 1.61 -0.00 -1.26 -4.97 116.67 112.73 3ije s ASP 234 Ca 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 52.55 51.39 3ije s ASP 234 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 42.92 43.13 3ije s ASP 234 CO 0.00 -1.00 0.00 0.61 -0.00 0.00 0.00 175.17 174.78 3ije n GLY 235 N -1.70 0.71 3.90 0.21 0.00 -1.26 -4.98 105.19 102.06 3ije n GLY 235 Ca -0.01 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 3ije n GLY 235 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ije s ILE 236 N 0.00 5.21 -0.23 -0.61 1.10 -1.26 -4.96 121.20 120.46 3ije s ILE 236 Ca 0.00 -0.01 -0.43 0.00 -0.51 0.00 0.00 60.65 59.70 3ije s ILE 236 Cb 0.00 -3.62 -0.20 0.00 0.15 0.00 0.00 42.46 38.79 3ije s ILE 236 CO 0.00 0.09 1.34 0.47 -2.11 0.00 0.00 174.94 174.73 3ije n ASP 237 N 0.23 0.69 -4.96 4.50 9.92 -1.26 -4.52 116.55 121.16 3ije n ASP 237 Ca -0.04 1.17 -0.19 0.00 -0.53 0.00 0.00 54.79 55.20 3ije n ASP 237 Cb 0.52 -0.92 -0.01 0.00 -0.64 0.00 0.00 41.12 40.07 3ije n ASP 237 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3ije s ASP 238 N 1.48 5.51 -0.25 -2.24 1.01 0.64 -3.96 116.67 118.86 3ije s ASP 238 Ca 0.97 -0.47 -0.10 0.00 0.71 0.00 0.00 52.55 53.66 3ije s ASP 238 Cb -1.35 -0.76 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 3ije s ASP 238 CO 0.68 -0.64 0.14 -0.36 0.21 0.00 0.00 175.17 175.20 3ije s PHE 239 N -2.35 3.21 -0.11 4.23 2.99 0.21 -1.78 117.98 124.38 3ije s PHE 239 Ca 0.50 0.02 -0.03 0.00 0.00 0.00 0.00 56.93 57.41 3ije s PHE 239 Cb -0.08 -2.29 -0.03 0.00 0.00 0.00 0.00 43.02 40.61 3ije s PHE 239 CO 0.31 -0.12 0.02 0.08 -0.00 0.00 0.00 175.22 175.50 3ije s VAL 240 N 1.44 4.44 -0.10 -0.44 1.01 0.33 0.10 120.40 127.18 3ije s VAL 240 Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 3ije s VAL 240 Cb -0.15 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.36 3ije s VAL 240 CO 0.07 0.57 0.26 -0.55 0.00 0.00 0.00 175.10 175.45 3ije s SER 241 N -0.57 -0.27 0.09 3.32 0.15 0.97 -1.15 113.70 116.24 3ije s SER 241 Ca 0.10 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.98 3ije s SER 241 Cb -0.12 0.47 -0.05 0.00 -1.71 0.00 0.00 66.02 64.61 3ije s SER 241 CO 0.02 -0.13 0.95 -0.83 1.20 0.00 0.00 173.24 174.46 3ije s GLY 242 N 0.72 2.98 -0.66 9.45 0.00 -1.10 -0.38 107.32 118.33 3ije s GLY 242 Ca -0.05 0.56 0.05 0.00 0.00 0.00 0.00 44.72 45.28 3ije s GLY 242 CO -0.04 1.47 0.47 0.14 0.00 0.00 0.00 173.10 175.14 3ije s VAL 243 N 0.12 2.54 0.42 1.40 1.01 0.14 -3.22 120.40 122.81 3ije s VAL 243 Ca 0.47 -4.06 0.10 0.00 0.00 0.00 0.00 61.98 58.50 3ije s VAL 243 Cb -0.23 -2.67 0.20 0.00 0.00 0.00 0.00 36.38 33.68 3ije s VAL 243 CO 0.29 -1.04 1.99 -0.65 0.00 0.00 0.00 175.10 175.70 3ije h PRO 244 N 5.43 0.26 -0.62 2.72 0.11 -1.68 0.47 132.00 138.69 3ije h PRO 244 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3ije h PRO 244 Cb 0.78 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3ije h PRO 244 CO 0.67 0.30 0.00 0.54 -0.21 0.00 0.00 178.00 179.30 3ije n ARG 245 N -4.37 2.87 -0.79 1.05 1.74 -0.67 -3.47 116.66 113.02 3ije n ARG 245 Ca -0.00 -2.28 -0.31 0.00 -0.77 0.00 0.00 57.85 54.48 3ije n ARG 245 Cb 0.19 -1.64 0.16 0.00 -1.02 0.00 0.00 32.46 30.14 3ije n ARG 245 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ije s ALA 246 N -1.51 1.54 -1.26 7.54 0.00 -0.51 -2.76 121.76 124.80 3ije s ALA 246 Ca 0.42 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 3ije s ALA 246 Cb 0.24 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.98 3ije s ALA 246 CO 0.24 -2.63 0.60 0.00 0.00 0.00 0.00 175.76 173.96 3ije n ALA 247 N -4.14 -2.51 -3.51 0.00 0.00 -1.26 -0.50 120.51 108.59 3ije n ALA 247 Ca 0.11 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.83 3ije n ALA 247 Cb 0.52 -2.53 0.08 0.00 0.00 0.00 0.00 19.45 17.53 3ije n ALA 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ije n ARG 248 N -4.88 -7.28 -0.88 0.00 1.74 -1.25 -1.70 116.66 102.40 3ije n ARG 248 Ca -0.14 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3ije n ARG 248 Cb 0.59 -5.88 0.00 0.00 -1.02 0.00 0.00 32.46 26.15 3ije n ARG 248 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ije n THR 249 N -4.56 0.00 -0.21 0.55 -2.24 -0.56 -4.73 114.28 102.52 3ije n THR 249 Ca -0.14 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3ije n THR 249 Cb 0.62 -0.60 0.34 0.00 -2.10 0.00 0.00 70.33 68.59 3ije n THR 249 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ije h LEU 250 N 0.00 0.69 0.00 3.22 3.38 -0.73 -1.21 115.31 120.66 3ije h LEU 250 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ije h LEU 250 Cb 0.48 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ije h LEU 250 CO 0.00 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.57 3ije n GLY 251 N -1.44 -1.42 3.22 0.83 0.00 0.35 -3.54 105.19 103.19 3ije n GLY 251 Ca 0.12 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3ije n GLY 251 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ije s MET 252 N -3.90 1.14 -0.18 1.61 -1.94 0.04 -1.76 119.30 114.32 3ije s MET 252 Ca 0.00 -1.53 -0.01 0.00 -1.71 0.00 0.00 55.69 52.44 3ije s MET 252 Cb 0.00 0.28 0.05 0.00 2.01 0.00 0.00 34.83 37.17 3ije s MET 252 CO 0.00 -0.37 -0.03 0.08 -0.01 0.00 0.00 175.02 174.69 3ije s VAL 253 N -4.11 0.98 0.09 -6.03 1.01 -0.45 0.26 120.40 112.15 3ije s VAL 253 Ca 0.33 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 3ije s VAL 253 Cb 0.06 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 3ije s VAL 253 CO 0.08 0.02 0.46 -0.31 0.00 0.00 0.00 175.10 175.35 3ije s TYR 254 N 1.68 3.62 -0.14 5.22 2.02 0.49 -0.59 117.35 129.65 3ije s TYR 254 Ca -0.00 0.93 0.01 0.00 -0.37 0.00 0.00 57.07 57.63 3ije s TYR 254 Cb -0.16 -2.26 0.02 0.00 -0.40 0.00 0.00 41.96 39.16 3ije s TYR 254 CO -0.07 0.51 -0.17 0.42 -1.57 0.00 0.00 175.55 174.67 3ije s ILE 255 N -1.36 1.71 0.13 2.71 1.01 -0.05 -0.02 121.20 125.34 3ije s ILE 255 Ca 0.33 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3ije s ILE 255 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3ije s ILE 255 CO 0.18 0.48 0.04 -0.31 0.00 0.00 0.00 174.94 175.33 3ije s TYR 256 N 1.25 3.01 0.48 3.97 1.51 0.29 -0.97 117.35 126.88 3ije s TYR 256 Ca 0.01 -0.05 -0.24 0.00 -1.01 0.00 0.00 57.07 55.79 3ije s TYR 256 Cb -0.14 -1.49 -0.07 0.00 -0.11 0.00 0.00 41.96 40.15 3ije s TYR 256 CO -0.08 0.50 1.31 0.34 -1.11 0.00 0.00 175.55 176.51 3ije s ASP 257 N -2.70 5.83 0.23 2.29 -1.08 0.26 0.66 116.67 122.16 3ije s ASP 257 Ca 0.28 2.65 0.10 0.00 -0.52 0.00 0.00 52.55 55.06 3ije s ASP 257 Cb -0.11 -2.63 0.16 0.00 -1.46 0.00 0.00 42.92 38.88 3ije s ASP 257 CO 0.20 -1.18 1.49 1.23 0.52 0.00 0.00 175.17 177.43 3ije h GLY 258 N 2.04 0.00 0.43 2.66 0.00 -1.83 -3.37 103.07 102.99 3ije h GLY 258 Ca -0.50 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 3ije h GLY 258 CO 0.60 0.00 -0.13 1.70 0.00 0.00 0.00 176.54 178.71 3ije h LYS 259 N 0.00 0.12 -5.09 4.80 1.63 -1.90 -3.46 116.57 112.66 3ije h LYS 259 Ca -0.01 -0.10 -0.56 0.00 -0.85 0.00 0.00 60.65 59.13 3ije h LYS 259 Cb 1.34 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.86 3ije h LYS 259 CO 0.09 0.79 -0.53 0.54 -3.45 0.00 0.00 179.45 176.90 3ije s ASN 260 N -6.11 2.90 -0.64 4.20 2.20 -1.26 -5.04 114.94 111.19 3ije s ASN 260 Ca -0.16 -1.62 -0.04 0.00 -0.94 0.00 0.00 52.86 50.09 3ije s ASN 260 Cb 0.01 0.41 0.07 0.00 -2.00 0.00 0.00 41.25 39.74 3ije s ASN 260 CO 0.72 -0.87 2.70 0.80 -2.94 0.00 0.00 177.10 177.51 3ije n MET 261 N -0.92 2.89 -3.37 3.55 0.00 -1.26 -3.77 117.12 114.25 3ije n MET 261 Ca -0.07 -2.58 -0.38 0.00 -0.00 0.00 0.00 57.70 54.67 3ije n MET 261 Cb 0.65 -2.25 -0.06 0.00 0.00 0.00 0.00 33.22 31.56 3ije n MET 261 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3ije s SER 262 N 0.38 6.96 0.17 6.12 0.15 -1.26 -4.79 113.70 121.43 3ije s SER 262 Ca 0.58 1.14 -0.30 0.00 0.70 0.00 0.00 55.95 58.07 3ije s SER 262 Cb 0.34 -2.32 -0.07 0.00 -1.71 0.00 0.00 66.02 62.26 3ije s SER 262 CO -0.19 0.30 1.06 -0.55 1.20 0.00 0.00 173.24 175.05 3ije s SER 263 N -1.10 7.35 0.00 5.45 0.15 -1.26 0.91 113.70 125.19 3ije s SER 263 Ca 0.27 2.02 -0.05 0.00 0.70 0.00 0.00 55.95 58.89 3ije s SER 263 Cb -0.18 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 3ije s SER 263 CO 0.17 -0.16 -0.10 0.18 1.20 0.00 0.00 173.24 174.53 3ije n LEU 264 N 2.38 1.23 -3.98 3.45 4.77 -0.14 -4.86 117.00 119.85 3ije n LEU 264 Ca 0.02 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 3ije n LEU 264 Cb 0.47 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 3ije n LEU 264 CO 0.53 -0.50 -0.32 -0.31 -1.33 0.00 0.00 177.39 175.46 3ije s TYR 265 N -2.25 0.27 0.12 -1.77 2.02 -1.19 -5.03 117.35 109.52 3ije s TYR 265 Ca -0.09 -0.56 0.10 0.00 -0.37 0.00 0.00 57.07 56.15 3ije s TYR 265 Cb 0.02 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 3ije s TYR 265 CO 0.13 -0.25 -0.25 -0.80 -1.57 0.00 0.00 175.55 172.81 3ije s ASN 266 N -1.74 3.03 0.22 2.29 0.01 -1.26 -0.87 114.94 116.61 3ije s ASN 266 Ca -0.11 -0.72 0.11 0.00 -0.71 0.00 0.00 52.86 51.42 3ije s ASN 266 Cb -0.06 -0.19 -0.05 0.00 0.41 0.00 0.00 41.25 41.36 3ije s ASN 266 CO -0.02 0.14 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.15 3ije s PHE 267 N -1.09 2.38 0.01 2.20 0.40 0.25 -4.95 117.98 117.18 3ije s PHE 267 Ca 0.11 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 3ije s PHE 267 Cb -0.10 -1.13 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 3ije s PHE 267 CO 0.05 0.57 -0.04 0.99 0.70 0.00 0.00 175.22 177.49 3ije s THR 268 N -1.94 0.27 0.66 0.64 2.01 -1.26 -1.34 115.64 114.69 3ije s THR 268 Ca 0.25 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 3ije s THR 268 Cb -0.07 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 3ije s THR 268 CO 0.13 -0.14 1.06 -0.83 -0.69 0.00 0.00 174.62 174.14 3ije s GLY 269 N -0.67 1.65 0.10 4.40 0.00 -0.72 -5.00 107.32 107.08 3ije s GLY 269 Ca -0.05 -0.14 0.22 0.00 0.00 0.00 0.00 44.72 44.76 3ije s GLY 269 CO -0.00 0.17 0.78 1.18 0.00 0.00 0.00 173.10 175.24 3ije n GLU 270 N -2.91 0.63 -3.84 2.90 -0.58 -1.26 -4.84 120.64 110.74 3ije n GLU 270 Ca 0.07 -0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.54 3ije n GLU 270 Cb 0.55 -1.69 -0.17 0.00 -0.57 0.00 0.00 31.44 29.55 3ije n GLU 270 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3ije s GLN 271 N -3.41 1.06 0.62 3.49 0.74 -1.26 -5.08 119.66 115.82 3ije s GLN 271 Ca -0.04 -0.10 -0.18 0.00 0.05 0.00 0.00 55.36 55.08 3ije s GLN 271 Cb 0.11 -1.34 -0.02 0.00 1.10 0.00 0.00 33.01 32.86 3ije s GLN 271 CO 0.84 -0.31 1.26 -1.64 -0.55 0.00 0.00 175.29 174.89 3ije s MET 272 N 1.83 2.73 0.00 1.67 -1.94 -1.26 -2.89 119.30 119.44 3ije s MET 272 Ca 0.05 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 3ije s MET 272 Cb -0.13 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 34.83 3ije s MET 272 CO -0.07 -1.43 0.00 0.00 -0.01 0.00 0.00 175.02 173.51 3ije n ALA 273 N -1.77 0.00 1.43 3.03 0.00 -0.46 -4.86 120.51 117.88 3ije n ALA 273 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3ije n ALA 273 Cb 0.49 -0.18 0.70 0.00 0.00 0.00 0.00 19.45 20.45 3ije n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ije n ALA 274 N 0.44 2.36 -3.69 0.00 0.00 -1.14 -4.85 120.51 113.63 3ije n ALA 274 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 3ije n ALA 274 Cb 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.12 3ije n ALA 274 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ije n TYR 275 N -1.07 -2.61 -1.56 0.00 4.02 -1.26 -2.42 117.16 112.25 3ije n TYR 275 Ca 0.17 0.97 -0.45 0.00 -0.01 0.00 0.00 57.90 58.58 3ije n TYR 275 Cb 0.11 -4.67 -0.04 0.00 -0.02 0.00 0.00 39.34 34.72 3ije n TYR 275 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3ije n PHE 276 N -4.81 1.84 0.00 -0.72 7.35 -1.26 -1.42 117.46 118.45 3ije n PHE 276 Ca -0.02 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3ije n PHE 276 Cb 0.56 -2.68 0.00 0.00 0.35 0.00 0.00 39.48 37.72 3ije n PHE 276 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ije n GLY 277 N 5.98 1.34 0.29 7.13 0.00 -0.35 -3.64 105.19 115.94 3ije n GLY 277 Ca 0.33 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.43 3ije n GLY 277 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ije h PHE 278 N 0.00 0.11 -3.96 1.61 3.57 -1.02 -3.39 116.94 113.86 3ije h PHE 278 Ca 0.00 0.05 -0.32 0.00 3.53 0.00 0.00 57.97 61.24 3ije h PHE 278 Cb 0.00 0.08 -0.23 0.00 2.79 0.00 0.00 35.95 38.59 3ije h PHE 278 CO 0.00 -0.22 -0.75 -1.54 -2.23 0.00 0.00 178.31 173.57 3ije s SER 279 N -5.16 0.98 0.02 0.41 1.04 -1.24 -4.45 113.70 105.30 3ije s SER 279 Ca -0.13 -0.46 -0.00 0.00 0.48 0.00 0.00 55.95 55.84 3ije s SER 279 Cb 0.24 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 3ije s SER 279 CO 0.76 -0.12 -0.02 0.68 0.98 0.00 0.00 173.24 175.52 3ije s VAL 280 N -1.08 0.10 -0.00 5.02 -7.23 -1.26 -0.50 120.40 115.44 3ije s VAL 280 Ca -0.06 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.20 3ije s VAL 280 Cb -0.08 -0.24 0.01 0.00 0.56 0.00 0.00 36.38 36.62 3ije s VAL 280 CO 0.01 -0.45 0.17 0.00 -0.31 0.00 0.00 175.10 174.52 3ije s ALA 281 N -1.33 -0.42 -0.06 1.32 0.00 -0.58 -4.70 121.76 115.99 3ije s ALA 281 Ca -0.15 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3ije s ALA 281 Cb -0.09 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3ije s ALA 281 CO -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 175.76 175.41 3ije s ALA 282 N -1.32 1.32 -0.26 0.00 0.00 -1.26 -0.95 121.76 119.29 3ije s ALA 282 Ca -0.14 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 3ije s ALA 282 Cb -0.07 -0.56 0.15 0.00 0.00 0.00 0.00 23.12 22.64 3ije s ALA 282 CO 0.02 0.14 1.18 -0.08 0.00 0.00 0.00 175.76 177.02 3ije s THR 283 N 0.57 0.00 -0.76 0.00 -1.32 -0.70 -4.88 115.64 108.55 3ije s THR 283 Ca -0.13 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.10 3ije s THR 283 Cb -0.15 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.89 3ije s THR 283 CO 0.04 0.00 1.18 -0.62 -2.21 0.00 0.00 174.62 173.00 3ije s ASP 284 N -0.34 6.24 0.34 8.08 3.68 -1.26 -1.07 116.67 132.34 3ije s ASP 284 Ca 0.04 -0.89 0.18 0.00 2.13 0.00 0.00 52.55 54.01 3ije s ASP 284 Cb -0.03 -2.50 0.17 0.00 -1.45 0.00 0.00 42.92 39.11 3ije s ASP 284 CO -0.07 -1.60 1.48 -0.29 0.13 0.00 0.00 175.17 174.82 3ije h ILE 285 N 6.09 0.48 -0.28 4.11 6.09 -1.87 -3.31 117.51 128.81 3ije h ILE 285 Ca -0.19 -1.68 0.00 0.00 -1.37 0.00 0.00 64.86 61.62 3ije h ILE 285 Cb 1.05 2.21 0.00 0.00 0.47 0.00 0.00 36.82 40.55 3ije h ILE 285 CO 1.25 0.27 0.00 -0.46 -3.07 0.00 0.00 178.15 176.14 3ije n ASN 286 N -3.15 3.97 -3.93 2.19 6.94 -1.26 -3.34 115.26 116.68 3ije n ASN 286 Ca 0.02 -2.98 -0.29 0.00 -0.02 0.00 0.00 54.58 51.32 3ije n ASN 286 Cb 0.65 -0.54 0.01 0.00 -2.36 0.00 0.00 39.78 37.54 3ije n ASN 286 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ije n GLY 287 N -0.40 -0.42 0.20 4.83 0.00 -1.25 -4.45 105.19 103.70 3ije n GLY 287 Ca 0.21 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.49 3ije n GLY 287 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ije n ASP 288 N -2.86 2.56 -1.93 1.61 5.75 -1.26 -4.99 116.55 115.43 3ije n ASP 288 Ca -0.06 -2.99 -0.19 0.00 -0.01 0.00 0.00 54.79 51.54 3ije n ASP 288 Cb 0.57 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 3ije n ASP 288 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ije n ASP 289 N -1.21 -5.48 -4.02 -1.12 10.43 -1.26 -5.00 116.55 108.90 3ije n ASP 289 Ca 0.16 0.17 -0.30 0.00 2.57 0.00 0.00 54.79 57.39 3ije n ASP 289 Cb 0.65 -4.58 -0.16 0.00 1.84 0.00 0.00 41.12 38.86 3ije n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3ije s TYR 290 N -2.87 2.29 0.42 1.24 2.02 -1.26 -5.09 117.35 114.09 3ije s TYR 290 Ca 0.00 -1.37 -0.26 0.00 -0.37 0.00 0.00 57.07 55.07 3ije s TYR 290 Cb 0.00 -1.63 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 3ije s TYR 290 CO 0.00 -0.70 1.29 0.00 -1.57 0.00 0.00 175.55 174.56 3ije n ALA 291 N 4.73 1.36 -2.38 3.71 0.00 -1.26 -4.33 120.51 122.34 3ije n ALA 291 Ca -0.16 0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.26 3ije n ALA 291 Cb 0.49 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.51 3ije n ALA 291 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ije s ASP 292 N -0.50 2.66 -0.06 0.00 1.01 -0.23 -4.11 116.67 115.44 3ije s ASP 292 Ca 0.60 -0.42 -0.14 0.00 0.71 0.00 0.00 52.55 53.30 3ije s ASP 292 Cb -0.51 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.08 3ije s ASP 292 CO 0.58 0.27 0.37 -0.69 0.21 0.00 0.00 175.17 175.92 3ije s VAL 293 N -0.55 5.15 -0.05 -1.27 1.01 -0.73 -1.72 120.40 122.25 3ije s VAL 293 Ca 0.09 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.86 3ije s VAL 293 Cb -0.09 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3ije s VAL 293 CO -0.01 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.05 3ije s PHE 294 N -0.57 1.99 -0.12 5.22 0.40 -0.12 -0.69 117.98 124.09 3ije s PHE 294 Ca 0.22 -0.57 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3ije s PHE 294 Cb -0.15 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.09 3ije s PHE 294 CO 0.10 -0.18 -0.05 0.42 0.70 0.00 0.00 175.22 176.22 3ije s ILE 295 N -0.07 0.86 -0.04 0.64 1.01 -0.79 -1.53 121.20 121.27 3ije s ILE 295 Ca -0.03 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 3ije s ILE 295 Cb -0.12 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3ije s ILE 295 CO 0.03 0.26 0.78 -0.83 0.00 0.00 0.00 174.94 175.17 3ije s GLY 296 N 1.77 2.71 -0.55 6.18 0.00 0.34 -0.83 107.32 116.94 3ije s GLY 296 Ca 0.04 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.07 3ije s GLY 296 CO -0.07 1.32 0.54 0.00 0.00 0.00 0.00 173.10 174.88 3ije n ALA 297 N 3.75 3.25 0.40 3.20 0.00 0.04 -1.22 120.51 129.94 3ije n ALA 297 Ca 0.01 -4.02 0.11 0.00 0.00 0.00 0.00 53.44 49.54 3ije n ALA 297 Cb 0.51 -0.88 0.47 0.00 0.00 0.00 0.00 19.45 19.55 3ije n ALA 297 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ije n PRO 298 N 1.71 0.17 -0.79 0.00 -0.04 -1.18 -1.84 135.00 133.03 3ije n PRO 298 Ca 0.25 0.41 0.05 0.00 -0.04 0.00 0.00 63.50 64.17 3ije n PRO 298 Cb 0.44 -1.83 0.34 0.00 -0.04 0.00 0.00 33.50 32.40 3ije n PRO 298 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ije n LEU 299 N -2.16 5.23 -4.76 1.53 4.77 -1.02 -3.56 117.00 117.03 3ije n LEU 299 Ca 0.02 -3.04 -0.38 0.00 -0.03 0.00 0.00 56.01 52.59 3ije n LEU 299 Cb 0.22 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 3ije n LEU 299 CO 0.19 0.69 0.90 0.12 -1.33 0.00 0.00 177.39 177.96 3ije s PHE 300 N -2.85 2.60 -0.34 -1.77 5.36 -0.77 -4.56 117.98 115.66 3ije s PHE 300 Ca 0.51 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.96 3ije s PHE 300 Cb 0.40 -3.57 0.09 0.00 -0.34 0.00 0.00 43.02 39.60 3ije s PHE 300 CO 0.13 -2.14 0.07 -1.64 -1.46 0.00 0.00 175.22 170.18 3ije s MET 301 N -2.80 1.83 0.39 10.12 -1.94 -1.26 -1.40 119.30 124.23 3ije s MET 301 Ca 0.67 -1.73 -0.07 0.00 -1.71 0.00 0.00 55.69 52.86 3ije s MET 301 Cb -0.34 -3.27 0.09 0.00 2.01 0.00 0.00 34.83 33.32 3ije s MET 301 CO 0.40 -0.90 0.44 -0.40 -0.01 0.00 0.00 175.02 174.56 3ije n ASP 302 N 4.41 -0.56 -4.29 3.03 3.85 -1.10 -4.70 116.55 117.20 3ije n ASP 302 Ca -0.02 -0.99 -0.33 0.00 -0.71 0.00 0.00 54.79 52.74 3ije n ASP 302 Cb 0.42 -0.36 -0.15 0.00 -1.35 0.00 0.00 41.12 39.68 3ije n ASP 302 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3ije s ARG 303 N -3.98 3.28 1.28 0.11 6.06 -1.26 -2.00 118.95 122.43 3ije s ARG 303 Ca 0.26 -0.71 -0.20 0.00 -2.50 0.00 0.00 55.73 52.58 3ije s ARG 303 Cb -0.01 -2.70 0.31 0.00 0.06 0.00 0.00 34.95 32.61 3ije s ARG 303 CO 0.19 0.01 1.04 0.20 -2.50 0.00 0.00 175.30 174.24 3ije s GLY 304 N 0.86 1.52 0.45 8.12 0.00 -0.09 -4.84 107.32 113.33 3ije s GLY 304 Ca -0.04 -0.85 0.18 0.00 0.00 0.00 0.00 44.72 44.01 3ije s GLY 304 CO -0.00 0.07 1.96 0.23 0.00 0.00 0.00 173.10 175.35 3ije h SER 305 N -2.88 0.00 1.01 1.64 0.87 -2.00 -1.93 113.55 110.26 3ije h SER 305 Ca -0.45 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.04 3ije h SER 305 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 3ije h SER 305 CO 0.33 0.22 -0.30 -2.24 -0.53 0.00 0.00 176.83 174.32 3ije h ASP 306 N 0.00 0.00 0.00 6.23 2.03 -2.04 -3.47 116.42 119.18 3ije h ASP 306 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ije h ASP 306 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 3ije h ASP 306 CO 0.03 0.30 0.00 0.61 -1.03 0.00 0.00 179.24 179.15 3ije n GLY 307 N 0.35 0.88 3.89 7.15 0.00 -0.73 -5.10 105.19 111.63 3ije n GLY 307 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ije n GLY 307 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ije s LYS 308 N -0.59 3.50 0.50 1.61 2.20 -1.26 -4.69 119.74 121.01 3ije s LYS 308 Ca 0.00 -0.20 -0.23 0.00 -0.36 0.00 0.00 55.97 55.18 3ije s LYS 308 Cb 0.00 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 3ije s LYS 308 CO 0.00 0.67 1.35 1.28 -0.36 0.00 0.00 175.35 178.30 3ije n LEU 309 N 1.12 5.13 -3.66 5.43 7.99 -1.26 -0.92 117.00 130.83 3ije n LEU 309 Ca -0.12 1.03 -0.07 0.00 -0.01 0.00 0.00 56.01 56.84 3ije n LEU 309 Cb 0.53 -1.57 -0.08 0.00 -0.11 0.00 0.00 43.42 42.19 3ije n LEU 309 CO 0.41 -0.52 0.16 0.00 -1.51 0.00 0.00 177.39 175.94 3ije s GLN 310 N -2.66 0.50 -0.51 3.23 -2.07 -0.85 -4.83 119.66 112.47 3ije s GLN 310 Ca 0.67 1.08 -0.28 0.00 -1.82 0.00 0.00 55.36 55.02 3ije s GLN 310 Cb -0.44 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 31.72 3ije s GLN 310 CO 0.53 -0.18 1.65 -2.00 -1.32 0.00 0.00 175.29 173.96 3ije s GLU 311 N 1.98 3.11 0.00 9.60 2.12 -1.26 -2.71 118.70 131.54 3ije s GLU 311 Ca -0.07 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.02 3ije s GLU 311 Cb -0.09 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.08 3ije s GLU 311 CO -0.16 -2.15 0.00 1.33 -0.54 0.00 0.00 175.26 173.74 3ije n VAL 312 N 7.11 0.00 0.00 3.70 0.24 -0.49 0.18 118.33 129.07 3ije n VAL 312 Ca 0.18 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3ije n VAL 312 Cb 0.49 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 3ije n VAL 312 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ije n GLY 313 N 1.78 -1.89 2.98 7.63 0.00 -0.68 -3.38 105.19 111.63 3ije n GLY 313 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 3ije n GLY 313 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ije s GLN 314 N -4.00 0.17 -0.12 1.61 0.74 -0.93 -0.31 119.66 116.81 3ije s GLN 314 Ca 0.00 -0.02 0.02 0.00 0.05 0.00 0.00 55.36 55.41 3ije s GLN 314 Cb 0.00 0.07 -0.00 0.00 1.10 0.00 0.00 33.01 34.18 3ije s GLN 314 CO 0.00 -0.03 -0.19 0.08 -0.55 0.00 0.00 175.29 174.60 3ije s VAL 315 N -0.28 2.48 0.14 1.34 1.01 0.64 -0.78 120.40 124.96 3ije s VAL 315 Ca -0.03 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 3ije s VAL 315 Cb -0.02 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.28 3ije s VAL 315 CO 0.00 0.54 0.61 -0.55 0.00 0.00 0.00 175.10 175.70 3ije s SER 316 N 0.43 6.99 -0.29 3.32 0.15 -0.01 -0.85 113.70 123.45 3ije s SER 316 Ca -0.14 1.25 -0.00 0.00 0.70 0.00 0.00 55.95 57.76 3ije s SER 316 Cb -0.17 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 3ije s SER 316 CO 0.06 0.16 0.07 -0.69 1.20 0.00 0.00 173.24 174.04 3ije s VAL 317 N -1.33 1.03 -0.40 4.45 1.01 0.12 -1.89 120.40 123.39 3ije s VAL 317 Ca 0.36 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 3ije s VAL 317 Cb -0.17 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.57 3ije s VAL 317 CO 0.20 -0.54 0.24 -0.44 0.00 0.00 0.00 175.10 174.56 3ije s SER 318 N 1.56 5.71 -0.24 3.32 0.01 0.13 -1.18 113.70 123.00 3ije s SER 318 Ca 0.07 -1.24 -0.27 0.00 1.31 0.00 0.00 55.95 55.82 3ije s SER 318 Cb -0.18 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3ije s SER 318 CO -0.19 -0.47 0.96 -0.76 0.41 0.00 0.00 173.24 173.19 3ije s LEU 319 N 1.50 4.08 0.31 2.44 1.02 -0.71 -1.77 118.68 125.56 3ije s LEU 319 Ca 0.02 1.20 -0.28 0.00 0.02 0.00 0.00 54.13 55.09 3ije s LEU 319 Cb -0.21 -3.39 -0.09 0.00 0.02 0.00 0.00 46.19 42.51 3ije s LEU 319 CO 0.05 -0.63 1.13 -1.58 0.02 0.00 0.00 176.35 175.34 3ije s GLN 320 N 3.09 4.49 0.04 1.70 0.74 -1.26 -0.47 119.66 128.00 3ije s GLN 320 Ca 0.40 1.83 0.08 0.00 0.05 0.00 0.00 55.36 57.72 3ije s GLN 320 Cb -0.15 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 30.88 3ije s GLN 320 CO 0.07 0.07 -0.22 1.03 -0.55 0.00 0.00 175.29 175.69 3ije s ARG 321 N -1.69 1.50 0.60 1.67 1.81 -1.25 -4.93 118.95 116.65 3ije s ARG 321 Ca 0.48 -0.97 0.29 0.00 -1.72 0.00 0.00 55.73 53.80 3ije s ARG 321 Cb -0.32 -1.62 1.45 0.00 -0.45 0.00 0.00 34.95 34.01 3ije s ARG 321 CO 0.41 0.42 1.85 0.00 -0.68 0.00 0.00 175.30 177.30 3ije h ALA 322 N 4.89 2.16 0.62 2.13 0.00 -1.97 -0.57 119.26 126.52 3ije h ALA 322 Ca -0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3ije h ALA 322 Cb 1.15 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ije h ALA 322 CO 0.44 -0.75 -0.30 0.77 0.00 0.00 0.00 179.25 179.41 3ije h SER 323 N 0.00 -0.70 0.00 0.00 0.02 -2.01 -3.49 113.55 107.37 3ije h SER 323 Ca 0.21 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3ije h SER 323 Cb 1.26 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3ije h SER 323 CO -0.00 -0.40 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 3ije n GLY 324 N -0.98 4.13 3.65 -3.77 0.00 -0.22 -5.10 105.19 102.89 3ije n GLY 324 Ca -0.12 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3ije n GLY 324 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ije s ASP 325 N 0.00 6.35 0.57 1.61 -0.00 -1.26 -4.73 116.67 119.22 3ije s ASP 325 Ca 0.00 2.29 -0.17 0.00 -0.00 0.00 0.00 52.55 54.67 3ije s ASP 325 Cb 0.00 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 3ije s ASP 325 CO 0.00 -1.18 1.06 -0.36 -0.00 0.00 0.00 175.17 174.69 3ije s PHE 326 N 5.02 2.97 -0.54 4.23 0.40 -1.26 -3.90 117.98 124.90 3ije s PHE 326 Ca 0.84 1.52 -0.00 0.00 -0.60 0.00 0.00 56.93 58.69 3ije s PHE 326 Cb -0.36 -3.03 0.14 0.00 0.51 0.00 0.00 43.02 40.28 3ije s PHE 326 CO 0.36 -1.10 0.32 -1.14 0.70 0.00 0.00 175.22 174.36 3ije s GLN 327 N -3.90 2.23 0.10 0.44 -0.44 0.39 -4.88 119.66 113.60 3ije s GLN 327 Ca 0.65 -2.40 -0.04 0.00 -2.50 0.00 0.00 55.36 51.07 3ije s GLN 327 Cb -0.16 -3.56 -0.05 0.00 -1.64 0.00 0.00 33.01 27.60 3ije s GLN 327 CO 0.34 -1.12 0.31 0.99 0.50 0.00 0.00 175.29 176.31 3ije s THR 328 N 0.13 5.25 0.10 -0.34 2.01 -1.26 -1.73 115.64 119.79 3ije s THR 328 Ca 0.15 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 3ije s THR 328 Cb -0.22 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3ije s THR 328 CO -0.03 0.13 0.08 0.42 -0.69 0.00 0.00 174.62 174.53 3ije s THR 329 N -1.55 0.15 0.14 -0.82 -4.23 -0.33 -4.99 115.64 104.01 3ije s THR 329 Ca 0.37 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 59.29 3ije s THR 329 Cb -0.13 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 3ije s THR 329 CO 0.24 -0.67 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.07 3ije s LYS 330 N -3.95 2.32 -0.20 3.99 3.01 -1.26 -0.70 119.74 122.94 3ije s LYS 330 Ca 0.13 -1.05 -0.05 0.00 -1.01 0.00 0.00 55.97 53.99 3ije s LYS 330 Cb 0.07 -2.36 0.07 0.00 -1.01 0.00 0.00 37.83 34.60 3ije s LYS 330 CO -0.05 0.48 0.10 -1.17 0.51 0.00 0.00 175.35 175.22 3ije s LEU 331 N -2.62 0.39 0.02 3.17 0.20 -0.03 -4.98 118.68 114.84 3ije s LEU 331 Ca 0.25 -0.78 -0.12 0.00 0.69 0.00 0.00 54.13 54.17 3ije s LEU 331 Cb -0.10 -0.27 -0.06 0.00 -0.43 0.00 0.00 46.19 45.33 3ije s LEU 331 CO 0.17 -0.37 0.38 0.20 -0.29 0.00 0.00 176.35 176.44 3ije s ASN 332 N 2.13 6.71 1.23 3.68 0.02 -1.26 -0.26 114.94 127.19 3ije s ASN 332 Ca 0.04 0.85 -0.14 0.00 -1.02 0.00 0.00 52.86 52.59 3ije s ASN 332 Cb -0.16 -2.21 0.31 0.00 0.02 0.00 0.00 41.25 39.22 3ije s ASN 332 CO -0.16 0.27 1.00 -0.83 0.02 0.00 0.00 177.10 177.40 3ije s GLY 333 N -1.35 1.51 -0.01 0.66 0.00 0.57 -4.99 107.32 103.73 3ije s GLY 333 Ca 0.27 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.81 3ije s GLY 333 CO 0.14 0.54 0.23 0.69 0.00 0.00 0.00 173.10 174.70 3ije n PHE 334 N -5.13 0.00 -4.44 1.90 3.01 -1.26 -4.89 117.46 106.65 3ije n PHE 334 Ca 0.04 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.27 3ije n PHE 334 Cb 0.55 -0.10 -0.13 0.00 -0.01 0.00 0.00 39.48 39.78 3ije n PHE 334 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3ije s GLU 335 N -2.19 1.14 0.08 -1.08 2.02 -1.26 -5.12 118.70 112.28 3ije s GLU 335 Ca -0.01 -0.93 -0.31 0.00 0.02 0.00 0.00 54.97 53.75 3ije s GLU 335 Cb 0.05 -1.24 -0.06 0.00 0.10 0.00 0.00 34.13 32.98 3ije s GLU 335 CO 0.31 0.30 1.20 0.08 0.02 0.00 0.00 175.26 177.18 3ije s VAL 336 N -0.93 3.98 0.00 2.63 1.01 -1.26 -3.27 120.40 122.56 3ije s VAL 336 Ca 0.05 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3ije s VAL 336 Cb -0.09 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3ije s VAL 336 CO 0.02 0.13 0.00 0.49 0.00 0.00 0.00 175.10 175.74 3ije n PHE 337 N 3.75 0.00 -2.59 5.22 3.72 0.13 -4.97 117.46 122.72 3ije n PHE 337 Ca 0.08 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 3ije n PHE 337 Cb 0.46 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 3ije n PHE 337 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ije s ALA 338 N -2.44 3.30 -1.23 4.37 0.00 -1.20 -4.74 121.76 119.82 3ije s ALA 338 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 51.96 51.52 3ije s ALA 338 Cb 0.00 -3.80 0.02 0.00 0.00 0.00 0.00 23.12 19.34 3ije s ALA 338 CO 0.00 -1.92 1.77 1.03 0.00 0.00 0.00 175.76 176.65 3ije s ARG 339 N 4.14 3.51 0.21 0.00 1.81 -1.26 -4.63 118.95 122.73 3ije s ARG 339 Ca 0.48 -1.65 -0.09 0.00 -1.72 0.00 0.00 55.73 52.75 3ije s ARG 339 Cb -0.10 -5.43 0.30 0.00 -0.45 0.00 0.00 34.95 29.26 3ije s ARG 339 CO 0.25 -2.75 1.76 0.35 -0.68 0.00 0.00 175.30 174.22 3ije h PHE 340 N 8.44 0.48 -0.13 -0.53 3.57 -1.70 -2.34 116.94 124.73 3ije h PHE 340 Ca 0.36 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 3ije h PHE 340 Cb 0.90 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3ije h PHE 340 CO 1.35 0.14 0.02 0.41 -2.23 0.00 0.00 178.31 178.01 3ije n GLY 341 N -1.30 1.92 0.27 2.40 0.00 -1.26 -3.71 105.19 103.51 3ije n GLY 341 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3ije n GLY 341 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ije h SER 342 N 0.71 0.68 -3.19 1.61 0.02 -1.31 -3.39 113.55 108.68 3ije h SER 342 Ca 0.02 -0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 3ije h SER 342 Cb 0.90 -0.18 -0.30 0.00 0.14 0.00 0.00 62.40 62.95 3ije h SER 342 CO 0.12 0.84 -0.49 0.00 -1.14 0.00 0.00 176.83 176.17 3ije s ALA 343 N -4.73 -0.59 -0.33 3.77 0.00 -1.26 -4.65 121.76 113.98 3ije s ALA 343 Ca -0.09 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 3ije s ALA 343 Cb 0.14 -0.77 0.07 0.00 0.00 0.00 0.00 23.12 22.56 3ije s ALA 343 CO 0.81 -0.34 0.05 0.42 0.00 0.00 0.00 175.76 176.70 3ije s ILE 344 N 1.62 3.03 -0.34 0.00 -1.09 -1.26 -1.85 121.20 121.30 3ije s ILE 344 Ca -0.06 -1.58 -0.01 0.00 -2.23 0.00 0.00 60.65 56.77 3ije s ILE 344 Cb -0.11 -2.84 0.08 0.00 -1.58 0.00 0.00 42.46 38.01 3ije s ILE 344 CO -0.09 -0.26 0.07 0.00 -1.23 0.00 0.00 174.94 173.43 3ije s ALA 345 N 1.21 2.93 0.25 9.38 0.00 0.03 -4.66 121.76 130.90 3ije s ALA 345 Ca -0.01 -2.17 -0.31 0.00 0.00 0.00 0.00 51.96 49.47 3ije s ALA 345 Cb -0.20 -2.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.70 3ije s ALA 345 CO -0.02 -1.53 1.40 -2.30 0.00 0.00 0.00 175.76 173.31 3ije n PRO 346 N 4.53 2.06 0.00 0.00 -0.02 -1.26 -1.54 135.00 138.77 3ije n PRO 346 Ca -0.06 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 3ije n PRO 346 Cb 0.42 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 3ije n PRO 346 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ije n LEU 347 N 2.04 1.45 0.00 2.45 4.77 -0.55 -3.64 117.00 123.53 3ije n LEU 347 Ca 0.11 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3ije n LEU 347 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ije n LEU 347 CO 0.63 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3ije n GLY 348 N 1.19 0.56 3.41 -0.72 0.00 -1.25 -2.71 105.19 105.67 3ije n GLY 348 Ca 0.06 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 44.80 3ije n GLY 348 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ije s ASP 349 N -4.00 6.78 0.40 1.61 3.68 -1.26 0.86 116.67 124.74 3ije s ASP 349 Ca 0.00 -2.49 0.09 0.00 2.13 0.00 0.00 52.55 52.28 3ije s ASP 349 Cb 0.00 -2.33 0.88 0.00 -1.45 0.00 0.00 42.92 40.02 3ije s ASP 349 CO 0.00 -0.81 2.01 0.25 0.13 0.00 0.00 175.17 176.75 3ije h LEU 350 N 9.22 0.50 -1.68 -1.34 5.85 -1.82 -2.66 115.31 123.37 3ije h LEU 350 Ca 0.16 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ije h LEU 350 Cb 1.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3ije h LEU 350 CO 1.01 0.33 0.00 -0.90 -0.34 0.00 0.00 178.44 178.54 3ije n ASP 351 N -4.47 1.98 -2.72 1.25 5.75 -1.26 -4.58 116.55 112.51 3ije n ASP 351 Ca 0.07 -1.52 -0.21 0.00 -0.01 0.00 0.00 54.79 53.12 3ije n ASP 351 Cb 0.20 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.26 3ije n ASP 351 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ije n GLN 352 N 0.49 -3.27 0.05 0.11 1.13 -1.00 -4.85 117.38 110.04 3ije n GLN 352 Ca 0.06 0.94 0.13 0.00 -1.94 0.00 0.00 57.00 56.20 3ije n GLN 352 Cb 0.27 -5.70 0.50 0.00 0.11 0.00 0.00 30.24 25.42 3ije n GLN 352 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3ije n ASP 353 N -2.26 0.39 0.00 1.08 3.85 -1.26 -4.89 116.55 113.45 3ije n ASP 353 Ca -0.18 0.54 0.00 0.00 -0.71 0.00 0.00 54.79 54.45 3ije n ASP 353 Cb 0.65 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 3ije n ASP 353 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ije n GLY 354 N 1.25 1.04 3.24 6.12 0.00 -1.26 -5.11 105.19 110.48 3ije n GLY 354 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3ije n GLY 354 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ije s PHE 355 N -2.00 1.73 0.77 1.61 0.08 -1.26 -4.78 117.98 114.13 3ije s PHE 355 Ca 0.00 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 3ije s PHE 355 Cb 0.00 -1.03 0.06 0.00 -0.57 0.00 0.00 43.02 41.48 3ije s PHE 355 CO 0.00 0.08 1.10 -0.80 -0.10 0.00 0.00 175.22 175.50 3ije s ASN 356 N -1.16 4.39 0.31 1.36 0.01 -1.26 -4.48 114.94 114.11 3ije s ASN 356 Ca 0.07 1.90 0.03 0.00 -0.71 0.00 0.00 52.86 54.14 3ije s ASN 356 Cb -0.09 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 3ije s ASN 356 CO 0.02 -2.11 0.11 -1.81 -1.51 0.00 0.00 177.10 171.79 3ije s ASP 357 N -3.18 1.83 -0.07 -1.22 -0.00 0.25 -1.53 116.67 112.75 3ije s ASP 357 Ca 0.63 -1.47 -0.21 0.00 -0.00 0.00 0.00 52.55 51.50 3ije s ASP 357 Cb -0.18 0.20 0.04 0.00 -0.00 0.00 0.00 42.92 42.98 3ije s ASP 357 CO 0.54 -0.77 0.48 -0.51 -0.00 0.00 0.00 175.17 174.91 3ije s ILE 358 N -3.52 0.02 -0.13 0.77 2.07 -0.63 -1.48 121.20 118.31 3ije s ILE 358 Ca 0.35 -0.21 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 3ije s ILE 358 Cb 0.07 -0.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 3ije s ILE 358 CO 0.15 -0.11 -0.15 0.00 -1.91 0.00 0.00 174.94 172.91 3ije s ALA 359 N -0.91 2.51 -0.10 1.50 0.00 -0.59 -0.34 121.76 123.84 3ije s ALA 359 Ca -0.10 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 50.98 3ije s ALA 359 Cb -0.03 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 3ije s ALA 359 CO 0.05 0.22 -0.21 0.42 0.00 0.00 0.00 175.76 176.24 3ije s ILE 360 N 0.40 2.32 -0.14 0.00 1.01 0.17 -0.79 121.20 124.16 3ije s ILE 360 Ca -0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 3ije s ILE 360 Cb -0.16 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3ije s ILE 360 CO 0.06 0.56 -0.01 0.00 0.00 0.00 0.00 174.94 175.55 3ije s ALA 361 N 0.19 3.16 -0.79 9.38 0.00 -0.77 0.14 121.76 133.06 3ije s ALA 361 Ca -0.13 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 3ije s ALA 361 Cb -0.16 -1.60 0.19 0.00 0.00 0.00 0.00 23.12 21.55 3ije s ALA 361 CO 0.07 0.31 0.63 0.00 0.00 0.00 0.00 175.76 176.77 3ije s ALA 362 N 0.02 3.99 -1.94 0.00 0.00 -0.03 -2.97 121.76 120.83 3ije s ALA 362 Ca 0.02 -3.70 0.23 0.00 0.00 0.00 0.00 51.96 48.51 3ije s ALA 362 Cb -0.13 -2.64 1.37 0.00 0.00 0.00 0.00 23.12 21.72 3ije s ALA 362 CO 0.02 -2.13 1.76 -2.30 0.00 0.00 0.00 175.76 173.12 3ije n PRO 363 N 2.53 0.69 -0.62 0.00 -0.02 -1.26 -1.62 135.00 134.69 3ije n PRO 363 Ca 0.18 0.01 0.06 0.00 -2.02 0.00 0.00 63.50 61.73 3ije n PRO 363 Cb 0.37 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.51 3ije n PRO 363 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ije n TYR 364 N -1.03 0.00 -3.48 6.00 4.02 -1.26 -3.73 117.16 117.68 3ije n TYR 364 Ca 0.17 -1.24 -0.17 0.00 -0.01 0.00 0.00 57.90 56.65 3ije n TYR 364 Cb 0.09 -0.21 0.02 0.00 -0.02 0.00 0.00 39.34 39.22 3ije n TYR 364 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ije n GLY 365 N -0.93 2.48 0.00 2.72 0.00 -0.64 -4.17 105.19 104.65 3ije n GLY 365 Ca 0.16 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3ije n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ije n GLY 366 N 0.10 -2.63 3.63 -0.02 0.00 -1.26 -0.29 105.19 104.72 3ije n GLY 366 Ca 0.04 -1.28 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 3ije n GLY 366 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ije n GLU 367 N -1.23 1.65 -2.69 1.61 -0.58 -1.26 -3.08 120.64 115.06 3ije n GLU 367 Ca 0.00 0.58 -0.03 0.00 -0.42 0.00 0.00 57.16 57.29 3ije n GLU 367 Cb 0.00 -2.12 -0.03 0.00 -0.57 0.00 0.00 31.44 28.72 3ije n GLU 367 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3ije n ASP 368 N 1.71 -3.31 -3.50 1.62 10.43 -1.26 -4.39 116.55 117.84 3ije n ASP 368 Ca 0.11 1.28 -0.40 0.00 2.57 0.00 0.00 54.79 58.34 3ije n ASP 368 Cb 0.30 -4.00 -0.11 0.00 1.84 0.00 0.00 41.12 39.16 3ije n ASP 368 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ije n LYS 369 N 2.00 0.00 0.04 -1.24 5.02 -1.18 -4.47 118.16 118.33 3ije n LYS 369 Ca -0.24 -0.92 0.02 0.00 -2.02 0.00 0.00 58.31 55.15 3ije n LYS 369 Cb 0.38 -2.39 -0.07 0.00 -0.02 0.00 0.00 35.03 32.93 3ije n LYS 369 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ije n LYS 370 N 7.59 0.62 0.00 1.97 5.02 -1.10 -4.61 118.16 127.65 3ije n LYS 370 Ca 0.42 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3ije n LYS 370 Cb 0.39 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3ije n LYS 370 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ije n GLY 371 N 1.35 3.10 3.19 0.72 0.00 0.60 -3.45 105.19 110.70 3ije n GLY 371 Ca -0.08 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.19 3ije n GLY 371 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ije s ILE 372 N -1.00 1.26 -0.16 -0.61 1.01 -0.74 0.07 121.20 121.04 3ije s ILE 372 Ca 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 60.65 59.44 3ije s ILE 372 Cb 0.00 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.32 3ije s ILE 372 CO 0.00 -0.07 -0.18 -0.69 0.00 0.00 0.00 174.94 174.00 3ije s VAL 373 N -1.05 1.88 -0.05 2.92 1.01 0.17 -0.85 120.40 124.43 3ije s VAL 373 Ca 0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 3ije s VAL 373 Cb -0.09 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3ije s VAL 373 CO 0.02 0.51 0.34 -0.31 0.00 0.00 0.00 175.10 175.66 3ije s TYR 374 N 1.26 3.67 -0.14 5.22 2.02 0.12 -0.39 117.35 129.11 3ije s TYR 374 Ca 0.03 0.85 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 3ije s TYR 374 Cb -0.13 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.21 3ije s TYR 374 CO -0.10 0.61 -0.22 -1.50 -1.57 0.00 0.00 175.55 172.77 3ije s ILE 375 N -0.86 2.06 -0.09 2.71 1.10 -0.74 0.42 121.20 125.80 3ije s ILE 375 Ca 0.21 -0.98 0.05 0.00 -0.51 0.00 0.00 60.65 59.41 3ije s ILE 375 Cb -0.15 -1.81 -0.00 0.00 0.15 0.00 0.00 42.46 40.64 3ije s ILE 375 CO 0.10 0.55 -0.24 -0.36 -2.11 0.00 0.00 174.94 172.89 3ije s PHE 376 N 0.77 2.48 0.03 3.50 0.40 0.54 -1.35 117.98 124.35 3ije s PHE 376 Ca -0.08 -0.94 -0.19 0.00 -0.60 0.00 0.00 56.93 55.12 3ije s PHE 376 Cb -0.16 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.66 3ije s PHE 376 CO -0.01 -0.36 0.56 -0.80 0.70 0.00 0.00 175.22 175.31 3ije s ASN 377 N 0.21 6.99 0.59 1.36 -0.87 -1.26 -1.60 114.94 120.35 3ije s ASN 377 Ca -0.15 1.17 -0.11 0.00 -1.57 0.00 0.00 52.86 52.20 3ije s ASN 377 Cb -0.17 -2.35 -0.05 0.00 -0.02 0.00 0.00 41.25 38.67 3ije s ASN 377 CO 0.07 0.21 1.00 -0.83 -2.57 0.00 0.00 177.10 174.98 3ije s GLY 378 N -0.70 1.72 0.16 0.66 0.00 -0.58 -0.69 107.32 107.89 3ije s GLY 378 Ca 0.29 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.79 3ije s GLY 378 CO 0.17 0.17 0.38 1.09 0.00 0.00 0.00 173.10 174.91 3ije s ARG 379 N -4.94 1.20 0.32 2.90 1.70 0.64 -4.75 118.95 116.02 3ije s ARG 379 Ca 0.55 -0.98 0.09 0.00 -0.47 0.00 0.00 55.73 54.92 3ije s ARG 379 Cb -0.11 0.44 0.89 0.00 -0.57 0.00 0.00 34.95 35.60 3ije s ARG 379 CO 0.49 -0.47 1.72 0.66 -1.08 0.00 0.00 175.30 176.62 3ije h SER 380 N 2.41 0.63 -0.60 -2.89 4.64 -1.86 0.14 113.55 116.02 3ije h SER 380 Ca -0.31 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3ije h SER 380 Cb 1.24 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 3ije h SER 380 CO 0.45 0.07 0.31 0.74 -0.87 0.00 0.00 176.83 177.53 3ije h THR 381 N 0.54 1.20 0.00 2.95 2.02 -1.95 -3.46 112.91 114.21 3ije h THR 381 Ca 0.64 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3ije h THR 381 Cb 1.25 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3ije h THR 381 CO -0.49 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.24 3ije n GLY 382 N -1.16 0.39 3.75 2.16 0.00 0.50 -5.04 105.19 105.79 3ije n GLY 382 Ca 0.06 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 3ije n GLY 382 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ije s LEU 383 N 0.00 4.59 -0.35 0.99 2.96 -1.26 -0.26 118.68 125.34 3ije s LEU 383 Ca 0.00 2.00 -0.29 0.00 -0.22 0.00 0.00 54.13 55.62 3ije s LEU 383 Cb 0.00 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3ije s LEU 383 CO 0.00 0.02 1.41 0.21 -1.32 0.00 0.00 176.35 176.67 3ije s ASN 384 N -0.81 6.44 0.52 3.68 3.84 0.13 -4.90 114.94 123.85 3ije s ASN 384 Ca 0.44 1.05 0.30 0.00 0.21 0.00 0.00 52.86 54.86 3ije s ASN 384 Cb -0.27 -2.54 1.23 0.00 -0.55 0.00 0.00 41.25 39.12 3ije s ASN 384 CO 0.34 -1.30 1.94 0.00 -2.79 0.00 0.00 177.10 175.28 3ije h ALA 385 N 10.29 1.02 -1.91 1.71 0.00 -1.94 -3.39 119.26 125.04 3ije h ALA 385 Ca -0.28 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.98 3ije h ALA 385 Cb 1.11 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 3ije h ALA 385 CO 1.06 0.09 0.72 0.08 0.00 0.00 0.00 179.25 181.19 3ije s VAL 386 N -3.68 4.44 0.27 0.00 1.01 -1.26 -5.01 120.40 116.17 3ije s VAL 386 Ca 0.01 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 3ije s VAL 386 Cb 0.09 -4.45 -0.10 0.00 0.00 0.00 0.00 36.38 31.93 3ije s VAL 386 CO 0.57 -0.74 1.39 -2.16 0.00 0.00 0.00 175.10 174.17 3ije s PRO 387 N 3.84 4.30 0.02 2.72 0.04 -1.26 -4.78 135.00 139.88 3ije s PRO 387 Ca 0.41 2.27 0.26 0.00 0.04 0.00 0.00 61.00 63.98 3ije s PRO 387 Cb -0.10 -3.10 0.65 0.00 0.04 0.00 0.00 34.50 31.99 3ije s PRO 387 CO 0.24 -0.35 1.52 -1.13 0.04 0.00 0.00 177.00 177.32 3ije n SER 388 N 1.85 0.43 -3.55 6.66 3.41 -0.46 -4.90 113.62 117.07 3ije n SER 388 Ca 0.05 -0.01 -0.16 0.00 -0.26 0.00 0.00 58.87 58.48 3ije n SER 388 Cb 0.41 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3ije n SER 388 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3ije s GLN 389 N -3.03 0.94 -0.25 4.33 0.74 -1.22 -4.47 119.66 116.70 3ije s GLN 389 Ca 0.11 0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.91 3ije s GLN 389 Cb 0.17 0.45 0.07 0.00 1.10 0.00 0.00 33.01 34.80 3ije s GLN 389 CO 0.66 -0.26 -0.02 0.42 -0.55 0.00 0.00 175.29 175.54 3ije s ILE 390 N -0.86 1.52 -0.16 -2.34 1.01 -1.26 -1.79 121.20 117.31 3ije s ILE 390 Ca -0.07 -1.36 -0.28 0.00 0.00 0.00 0.00 60.65 58.94 3ije s ILE 390 Cb -0.01 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3ije s ILE 390 CO 0.07 -0.23 0.94 -0.76 0.00 0.00 0.00 174.94 174.96 3ije s LEU 391 N 1.37 4.18 -0.08 2.97 2.01 0.47 -4.93 118.68 124.68 3ije s LEU 391 Ca -0.02 1.34 -0.12 0.00 0.01 0.00 0.00 54.13 55.34 3ije s LEU 391 Cb -0.19 -3.41 -0.05 0.00 0.01 0.00 0.00 46.19 42.55 3ije s LEU 391 CO -0.09 -0.48 0.29 -0.70 1.01 0.00 0.00 176.35 176.39 3ije s GLU 392 N 2.34 3.87 0.51 1.70 2.56 -1.26 -0.66 118.70 127.76 3ije s GLU 392 Ca 0.43 0.15 -0.22 0.00 0.00 0.00 0.00 54.97 55.33 3ije s GLU 392 Cb -0.17 -3.27 -0.06 0.00 2.00 0.00 0.00 34.13 32.63 3ije s GLU 392 CO 0.13 0.59 1.28 0.20 -0.56 0.00 0.00 175.26 176.90 3ije s GLY 393 N -0.61 2.85 -0.07 -1.50 0.00 0.11 -4.97 107.32 103.12 3ije s GLY 393 Ca 0.19 1.18 0.08 0.00 0.00 0.00 0.00 44.72 46.17 3ije s GLY 393 CO 0.08 1.68 0.07 -0.18 0.00 0.00 0.00 173.10 174.74 3ije n GLN 394 N -0.82 2.12 -4.07 2.90 -0.06 -1.26 -4.86 117.38 111.32 3ije n GLN 394 Ca 0.09 -0.02 -0.34 0.00 -2.00 0.00 0.00 57.00 54.73 3ije n GLN 394 Cb 0.46 -1.22 -0.10 0.00 -4.06 0.00 0.00 30.24 25.31 3ije n GLN 394 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 3ije s TRP 395 N -2.30 3.19 0.62 3.69 0.52 -1.26 -5.10 118.94 118.30 3ije s TRP 395 Ca -0.04 -0.05 -0.12 0.00 0.02 0.00 0.00 56.10 55.91 3ije s TRP 395 Cb 0.03 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 3ije s TRP 395 CO 0.36 0.07 1.03 0.00 0.02 0.00 0.00 176.95 178.44 3ije s ALA 396 N 0.47 2.97 0.39 0.98 0.00 -1.26 -4.77 121.76 120.54 3ije s ALA 396 Ca 0.02 0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 3ije s ALA 396 Cb -0.13 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 3ije s ALA 396 CO 0.01 -0.76 1.27 0.00 0.00 0.00 0.00 175.76 176.27 3ije s ALA 397 N -3.02 3.26 0.07 0.00 0.00 -1.26 -4.88 121.76 115.92 3ije s ALA 397 Ca 0.57 1.16 -0.02 0.00 0.00 0.00 0.00 51.96 53.67 3ije s ALA 397 Cb -0.12 -3.46 -0.27 0.00 0.00 0.00 0.00 23.12 19.27 3ije s ALA 397 CO 0.50 -0.72 1.10 0.00 0.00 0.00 0.00 175.76 176.64 3ije h ARG 398 N 2.77 0.22 0.00 0.00 3.08 -1.95 -3.48 114.38 115.02 3ije h ARG 398 Ca -0.49 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.18 3ije h ARG 398 Cb 1.24 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.43 3ije h ARG 398 CO 0.63 1.15 0.00 0.45 -1.07 0.00 0.00 179.97 181.13 3ije n SER 399 N -3.48 0.00 -4.77 7.04 2.88 -1.26 -5.12 113.62 108.91 3ije n SER 399 Ca -0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.09 3ije n SER 399 Cb 1.02 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 3ije n SER 399 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3ije s MET 400 N -0.73 3.48 0.31 -1.46 -2.45 -1.26 -4.97 119.30 112.21 3ije s MET 400 Ca 0.00 1.78 -0.29 0.00 -1.25 0.00 0.00 55.69 55.93 3ije s MET 400 Cb 0.00 -2.22 -0.13 0.00 1.25 0.00 0.00 34.83 33.73 3ije s MET 400 CO 0.00 -0.78 1.30 -0.35 1.05 0.00 0.00 175.02 176.24 3ije n PRO 401 N -0.91 2.04 0.23 4.11 -0.04 -1.26 -4.68 135.00 134.49 3ije n PRO 401 Ca 0.10 0.72 0.13 0.00 -0.04 0.00 0.00 63.50 64.40 3ije n PRO 401 Cb 0.49 -2.30 0.77 0.00 -0.04 0.00 0.00 33.50 32.41 3ije n PRO 401 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3ije h PRO 402 N 2.95 0.00 -5.95 0.54 0.13 -1.81 -3.36 132.00 124.50 3ije h PRO 402 Ca -0.45 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.27 3ije h PRO 402 Cb 1.29 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.51 3ije h PRO 402 CO 0.66 0.00 -0.72 0.43 -0.23 0.00 0.00 178.00 178.14 3ije n SER 403 N -4.18 -5.18 -4.68 1.44 7.64 -1.25 -1.38 113.62 106.03 3ije n SER 403 Ca -0.01 -0.62 -0.42 0.00 1.01 0.00 0.00 58.87 58.83 3ije n SER 403 Cb 0.19 -4.71 -0.03 0.00 -1.01 0.00 0.00 64.21 58.64 3ije n SER 403 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3ije s PHE 404 N -3.34 2.22 0.00 1.43 5.36 -1.22 -1.86 117.98 120.56 3ije s PHE 404 Ca 0.50 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 3ije s PHE 404 Cb -0.23 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 3ije s PHE 404 CO 0.76 -4.20 0.00 0.41 -1.46 0.00 0.00 175.22 170.73 3ije n GLY 405 N 4.10 0.39 0.28 13.12 0.00 -0.68 -4.09 105.19 118.31 3ije n GLY 405 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3ije n GLY 405 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ije h TYR 406 N 0.00 0.00 -3.97 1.61 3.20 -1.44 -3.41 116.97 112.96 3ije h TYR 406 Ca 0.00 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 3ije h TYR 406 Cb 0.00 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 38.06 3ije h TYR 406 CO 0.00 0.01 -0.71 -1.54 -1.64 0.00 0.00 178.16 174.28 3ije s SER 407 N -6.57 0.35 0.05 -2.11 1.04 -1.26 -4.73 113.70 100.47 3ije s SER 407 Ca -0.05 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 3ije s SER 407 Cb 0.16 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.39 3ije s SER 407 CO 0.61 -0.27 0.37 -0.04 0.98 0.00 0.00 173.24 174.89 3ije s MET 408 N -1.40 0.89 -0.15 4.02 -1.94 -1.26 -0.40 119.30 119.05 3ije s MET 408 Ca -0.14 -0.44 -0.13 0.00 -1.71 0.00 0.00 55.69 53.26 3ije s MET 408 Cb -0.09 0.39 0.04 0.00 2.01 0.00 0.00 34.83 37.18 3ije s MET 408 CO -0.01 -0.30 0.39 0.21 -0.01 0.00 0.00 175.02 175.31 3ije s LYS 409 N -2.60 0.46 0.00 2.03 2.47 -0.46 -4.84 119.74 116.80 3ije s LYS 409 Ca -0.05 0.56 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 3ije s LYS 409 Cb -0.01 0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 3ije s LYS 409 CO -0.03 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 175.83 3ije n GLY 410 N 2.95 5.41 2.62 5.54 0.00 -1.25 0.14 105.19 120.60 3ije n GLY 410 Ca -0.14 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 3ije n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ije n ALA 411 N -3.00 -0.10 -3.68 4.61 0.00 -1.10 -4.92 120.51 112.32 3ije n ALA 411 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 3ije n ALA 411 Cb 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.95 3ije n ALA 411 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ije s THR 412 N -1.80 0.26 -0.97 0.00 2.01 -1.26 -4.89 115.64 108.98 3ije s THR 412 Ca 0.00 -0.42 -0.24 0.00 0.31 0.00 0.00 61.69 61.34 3ije s THR 412 Cb 0.00 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3ije s THR 412 CO 0.00 -0.26 1.89 -0.62 -0.69 0.00 0.00 174.62 174.94 3ije s ASP 413 N 1.98 5.30 0.52 3.53 2.15 -1.26 -2.60 116.67 126.28 3ije s ASP 413 Ca 0.01 -0.95 0.30 0.00 0.43 0.00 0.00 52.55 52.34 3ije s ASP 413 Cb -0.17 -2.57 1.24 0.00 -0.30 0.00 0.00 42.92 41.13 3ije s ASP 413 CO -0.10 -2.64 1.94 -0.29 -0.17 0.00 0.00 175.17 173.92 3ije h ILE 414 N 7.00 0.21 -3.07 4.11 2.10 -1.91 -3.44 117.51 122.52 3ije h ILE 414 Ca 0.13 -0.70 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3ije h ILE 414 Cb 0.99 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 38.30 3ije h ILE 414 CO 1.24 0.08 0.00 -0.90 -1.08 0.00 0.00 178.15 177.49 3ije n ASP 415 N -3.22 0.82 -0.05 2.19 5.75 -1.26 -4.82 116.55 115.96 3ije n ASP 415 Ca 0.00 -0.07 -0.11 0.00 -0.01 0.00 0.00 54.79 54.60 3ije n ASP 415 Cb 0.34 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.33 3ije n ASP 415 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3ije h LYS 416 N 0.00 -0.02 -6.36 0.11 3.64 -1.97 -3.47 116.57 108.50 3ije h LYS 416 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 3ije h LYS 416 Cb 0.00 0.01 0.11 0.00 -0.41 0.00 0.00 32.23 31.93 3ije h LYS 416 CO 0.00 0.70 -0.03 0.27 -2.27 0.00 0.00 179.45 178.13 3ije n ASN 417 N -4.69 0.68 -1.76 4.20 2.04 -1.26 -4.75 115.26 109.72 3ije n ASN 417 Ca -0.08 1.17 -0.02 0.00 -0.44 0.00 0.00 54.58 55.21 3ije n ASN 417 Cb 0.36 -1.20 -0.02 0.00 -2.53 0.00 0.00 39.78 36.38 3ije n ASN 417 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ije n GLY 418 N 1.43 1.97 3.00 4.83 0.00 -1.26 -4.75 105.19 110.40 3ije n GLY 418 Ca 0.12 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3ije n GLY 418 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ije s TYR 419 N 0.83 1.24 0.67 1.61 1.51 -1.26 -4.85 117.35 117.10 3ije s TYR 419 Ca 0.09 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 3ije s TYR 419 Cb 0.04 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3ije s TYR 419 CO 0.00 -0.23 1.15 -2.14 -1.11 0.00 0.00 175.55 173.22 3ije s PRO 420 N 0.63 2.64 0.43 -1.71 0.02 -1.26 -4.38 135.00 131.38 3ije s PRO 420 Ca -0.12 1.57 0.02 0.00 0.02 0.00 0.00 61.00 62.49 3ije s PRO 420 Cb -0.15 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3ije s PRO 420 CO 0.03 -1.41 0.15 -0.25 -0.33 0.00 0.00 177.00 175.19 3ije n ASP 421 N -2.34 2.84 -3.77 2.53 10.43 -1.07 -4.00 116.55 121.16 3ije n ASP 421 Ca 0.12 -2.71 -0.14 0.00 2.57 0.00 0.00 54.79 54.63 3ije n ASP 421 Cb 0.51 0.15 -0.15 0.00 1.84 0.00 0.00 41.12 43.47 3ije n ASP 421 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ije s LEU 422 N 0.00 0.96 -0.21 0.64 2.96 0.85 -3.63 118.68 120.25 3ije s LEU 422 Ca 0.12 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 3ije s LEU 422 Cb -0.01 0.24 -0.05 0.00 0.50 0.00 0.00 46.19 46.87 3ije s LEU 422 CO 0.07 -0.13 0.12 -0.63 -1.32 0.00 0.00 176.35 174.47 3ije s ILE 423 N 0.97 5.22 -0.08 6.68 1.01 0.12 0.73 121.20 135.85 3ije s ILE 423 Ca -0.08 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.72 3ije s ILE 423 Cb -0.10 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 3ije s ILE 423 CO -0.04 0.41 -0.16 -0.69 0.00 0.00 0.00 174.94 174.47 3ije s VAL 424 N 0.61 2.89 -0.13 2.92 1.01 0.83 -1.35 120.40 127.18 3ije s VAL 424 Ca 0.07 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3ije s VAL 424 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ije s VAL 424 CO 0.01 0.56 0.08 -0.83 0.00 0.00 0.00 175.10 174.91 3ije s GLY 425 N -0.19 2.00 -0.61 4.51 0.00 0.46 0.13 107.32 113.62 3ije s GLY 425 Ca -0.00 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.04 3ije s GLY 425 CO 0.03 -0.32 0.43 0.00 0.00 0.00 0.00 173.10 173.24 3ije s ALA 426 N -0.62 3.04 0.21 3.20 0.00 0.76 -1.68 121.76 126.67 3ije s ALA 426 Ca 0.11 -3.38 0.19 0.00 0.00 0.00 0.00 51.96 48.89 3ije s ALA 426 Cb -0.12 -1.99 0.76 0.00 0.00 0.00 0.00 23.12 21.77 3ije s ALA 426 CO 0.02 -2.06 1.77 0.27 0.00 0.00 0.00 175.76 175.77 3ije h PHE 427 N 5.55 0.00 0.00 0.00 -5.15 -1.66 -2.10 116.94 113.58 3ije h PHE 427 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 3ije h PHE 427 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.98 3ije h PHE 427 CO 0.55 0.35 0.00 0.78 -2.00 0.00 0.00 178.31 177.99 3ije h GLY 428 N 1.87 0.00 -0.33 6.09 0.00 -1.37 -2.17 103.07 107.16 3ije h GLY 428 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3ije h GLY 428 CO 0.05 0.00 -0.15 3.33 0.00 0.00 0.00 176.54 179.76 3ije n VAL 429 N -2.59 1.49 -4.08 4.60 0.24 -0.93 -4.60 118.33 112.46 3ije n VAL 429 Ca -0.00 -1.84 -0.28 0.00 -2.04 0.00 0.00 64.34 60.17 3ije n VAL 429 Cb 0.16 -0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.43 3ije n VAL 429 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3ije n ASP 430 N -1.09 -0.43 -4.20 -1.34 9.92 -0.82 -4.90 116.55 113.70 3ije n ASP 430 Ca 0.13 -1.07 -0.14 0.00 -0.53 0.00 0.00 54.79 53.17 3ije n ASP 430 Cb 0.67 -2.67 -0.11 0.00 -0.64 0.00 0.00 41.12 38.37 3ije n ASP 430 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3ije s ARG 431 N -6.80 0.92 -0.01 -1.24 3.00 -0.84 -1.15 118.95 112.83 3ije s ARG 431 Ca 0.11 -1.25 -0.01 0.00 0.00 0.00 0.00 55.73 54.57 3ije s ARG 431 Cb -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 34.95 34.32 3ije s ARG 431 CO 0.92 0.08 0.03 0.00 0.00 0.00 0.00 175.30 176.34 3ije s ALA 432 N -2.72 -0.08 -0.09 2.13 0.00 -0.15 -0.17 121.76 120.68 3ije s ALA 432 Ca 0.09 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3ije s ALA 432 Cb -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3ije s ALA 432 CO 0.00 -0.02 -0.14 0.42 0.00 0.00 0.00 175.76 176.02 3ije s ILE 433 N -0.03 1.31 -0.30 0.00 1.01 0.12 -0.64 121.20 122.68 3ije s ILE 433 Ca -0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 3ije s ILE 433 Cb -0.01 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3ije s ILE 433 CO 0.00 0.40 0.38 -0.22 0.00 0.00 0.00 174.94 175.50 3ije s LEU 434 N 0.86 4.17 -0.20 2.97 2.96 0.26 -0.12 118.68 129.58 3ije s LEU 434 Ca -0.10 0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 3ije s LEU 434 Cb -0.15 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.08 3ije s LEU 434 CO 0.01 -0.25 0.13 -0.31 -1.32 0.00 0.00 176.35 174.61 3ije s TYR 435 N 2.08 3.38 -0.10 5.38 1.51 0.22 -1.13 117.35 128.69 3ije s TYR 435 Ca 0.14 0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 56.49 3ije s TYR 435 Cb -0.16 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 3ije s TYR 435 CO 0.11 0.24 -0.09 -0.98 -1.11 0.00 0.00 175.55 173.72 3ije s ARG 436 N 0.47 3.11 0.31 -0.62 1.70 -1.26 -0.11 118.95 122.55 3ije s ARG 436 Ca 0.07 -0.61 -0.29 0.00 -0.47 0.00 0.00 55.73 54.44 3ije s ARG 436 Cb -0.11 -2.64 -0.10 0.00 -0.57 0.00 0.00 34.95 31.53 3ije s ARG 436 CO -0.01 0.42 1.20 0.00 -1.08 0.00 0.00 175.30 175.83 3ije s ALA 437 N -0.17 3.43 0.29 7.88 0.00 -1.26 -2.12 121.76 129.81 3ije s ALA 437 Ca 0.01 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 3ije s ALA 437 Cb -0.13 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 3ije s ALA 437 CO 0.03 -0.41 0.58 1.03 0.00 0.00 0.00 175.76 176.99 3ije s ARG 438 N -1.68 3.71 0.35 0.00 0.52 0.15 -4.87 118.95 117.14 3ije s ARG 438 Ca 0.47 0.16 -0.28 0.00 -0.52 0.00 0.00 55.73 55.56 3ije s ARG 438 Cb -0.35 -2.61 -0.10 0.00 0.52 0.00 0.00 34.95 32.40 3ije s ARG 438 CO 0.46 0.21 1.33 -2.14 0.02 0.00 0.00 175.30 175.19 3ije s PRO 439 N -3.36 4.27 -0.10 3.54 0.02 -1.26 -4.80 135.00 133.32 3ije s PRO 439 Ca 0.46 2.26 -0.02 0.00 0.02 0.00 0.00 61.00 63.72 3ije s PRO 439 Cb -0.11 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 3ije s PRO 439 CO 0.27 -0.27 -0.00 0.08 -0.33 0.00 0.00 177.00 176.75 3ije s VAL 440 N -1.15 4.28 0.00 3.83 1.01 -1.26 0.71 120.40 127.82 3ije s VAL 440 Ca 0.50 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3ije s VAL 440 Cb -0.41 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 3ije s VAL 440 CO 0.54 0.59 -0.14 0.27 0.00 0.00 0.00 175.10 176.36 3ije s ILE 441 N -0.70 1.10 -0.26 2.22 -4.36 -0.49 -4.03 121.20 114.68 3ije s ILE 441 Ca 0.11 -0.70 -0.07 0.00 -0.26 0.00 0.00 60.65 59.73 3ije s ILE 441 Cb -0.12 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.64 3ije s ILE 441 CO 0.02 0.23 0.06 -0.89 0.24 0.00 0.00 174.94 174.60 3ije s THR 442 N -0.46 4.10 -0.03 8.37 2.01 0.15 -1.75 115.64 128.03 3ije s THR 442 Ca 0.04 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 3ije s THR 442 Cb -0.06 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3ije s THR 442 CO -0.00 0.29 0.07 0.68 -0.69 0.00 0.00 174.62 174.98 3ije s VAL 443 N 1.57 4.75 -0.31 3.82 -7.23 -1.26 -1.46 120.40 120.27 3ije s VAL 443 Ca 0.05 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.94 3ije s VAL 443 Cb -0.15 -3.13 0.09 0.00 0.56 0.00 0.00 36.38 33.74 3ije s VAL 443 CO 0.02 0.42 0.00 0.20 -0.31 0.00 0.00 175.10 175.44 3ije s ASN 444 N -1.52 4.62 0.01 4.85 0.01 0.21 -4.98 114.94 118.13 3ije s ASN 444 Ca 0.20 -1.89 -0.20 0.00 -0.71 0.00 0.00 52.86 50.26 3ije s ASN 444 Cb -0.12 -1.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.93 3ije s ASN 444 CO 0.11 -0.32 0.59 0.00 -1.51 0.00 0.00 177.10 175.96 3ije s ALA 445 N 1.00 3.51 0.09 0.60 0.00 -1.26 -1.84 121.76 123.86 3ije s ALA 445 Ca 0.05 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.10 3ije s ALA 445 Cb -0.19 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 3ije s ALA 445 CO -0.08 0.21 -0.13 0.20 0.00 0.00 0.00 175.76 175.95 3ije s GLY 446 N -0.34 1.73 -0.15 0.00 0.00 0.41 -4.98 107.32 103.99 3ije s GLY 446 Ca 0.30 -1.25 -0.14 0.00 0.00 0.00 0.00 44.72 43.64 3ije s GLY 446 CO 0.17 -1.20 0.40 -2.27 0.00 0.00 0.00 173.10 170.20 3ije s LEU 447 N -2.00 0.47 -0.22 0.66 2.96 -1.26 -1.88 118.68 117.40 3ije s LEU 447 Ca 0.19 0.79 -0.26 0.00 -0.22 0.00 0.00 54.13 54.62 3ije s LEU 447 Cb -0.11 1.39 0.07 0.00 0.50 0.00 0.00 46.19 48.04 3ije s LEU 447 CO 0.11 -0.15 0.73 -0.70 -1.32 0.00 0.00 176.35 175.02 3ije s GLU 448 N 0.16 0.86 -0.38 1.98 2.12 -0.98 -4.97 118.70 117.49 3ije s GLU 448 Ca -0.01 0.81 -0.00 0.00 0.36 0.00 0.00 54.97 56.13 3ije s GLU 448 Cb -0.03 0.42 0.11 0.00 0.26 0.00 0.00 34.13 34.88 3ije s GLU 448 CO 0.01 -0.15 0.14 0.14 -0.54 0.00 0.00 175.26 174.86 3ije s VAL 449 N 0.02 2.88 0.17 3.70 -7.23 -1.26 -1.62 120.40 117.05 3ije s VAL 449 Ca -0.02 -2.18 -0.16 0.00 -1.81 0.00 0.00 61.98 57.81 3ije s VAL 449 Cb -0.04 -3.03 0.09 0.00 0.56 0.00 0.00 36.38 33.96 3ije s VAL 449 CO 0.02 -0.65 1.68 1.88 -0.31 0.00 0.00 175.10 177.72 3ije h TYR 450 N 7.87 -0.14 -2.75 2.82 0.99 -1.89 -2.97 116.97 120.90 3ije h TYR 450 Ca -0.09 0.03 -0.57 0.00 2.00 0.00 0.00 58.73 60.10 3ije h TYR 450 Cb 1.04 0.12 -0.10 0.00 1.00 0.00 0.00 36.73 38.79 3ije h TYR 450 CO 0.52 -0.14 0.87 -2.14 -0.00 0.00 0.00 178.16 177.27 3ije s PRO 451 N -6.20 3.28 -0.09 4.88 0.02 -1.26 -4.91 135.00 130.71 3ije s PRO 451 Ca -0.14 -0.23 -0.21 0.00 0.02 0.00 0.00 61.00 60.45 3ije s PRO 451 Cb 0.14 -4.13 -0.17 0.00 0.02 0.00 0.00 34.50 30.36 3ije s PRO 451 CO 0.71 -1.87 0.73 1.03 -0.33 0.00 0.00 177.00 177.27 3ije h SER 452 N 9.71 -0.08 -3.40 2.53 0.87 -1.92 -3.43 113.55 117.83 3ije h SER 452 Ca -0.27 -0.53 -0.59 0.00 -1.23 0.00 0.00 61.79 59.18 3ije h SER 452 Cb 1.06 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.95 3ije h SER 452 CO 1.21 0.61 0.06 -0.63 -0.53 0.00 0.00 176.83 177.55 3ije s ILE 453 N -2.79 5.06 -0.29 2.23 -1.09 -1.26 -2.85 121.20 120.21 3ije s ILE 453 Ca -0.13 1.15 -0.12 0.00 -2.23 0.00 0.00 60.65 59.33 3ije s ILE 453 Cb -0.01 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 3ije s ILE 453 CO 0.49 0.17 0.22 -0.76 -1.23 0.00 0.00 174.94 173.82 3ije s LEU 454 N 1.55 4.08 -0.34 2.97 1.43 -0.44 -4.82 118.68 123.11 3ije s LEU 454 Ca 0.29 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 3ije s LEU 454 Cb -0.16 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 3ije s LEU 454 CO 0.11 -0.09 0.53 0.21 0.23 0.00 0.00 176.35 177.35 3ije s ASN 455 N 1.74 6.35 0.55 2.29 3.84 -1.26 0.48 114.94 128.93 3ije s ASN 455 Ca 0.08 0.05 0.32 0.00 0.21 0.00 0.00 52.86 53.53 3ije s ASN 455 Cb -0.16 -2.28 1.59 0.00 -0.55 0.00 0.00 41.25 39.85 3ije s ASN 455 CO 0.11 -0.48 2.09 1.56 -2.79 0.00 0.00 177.10 177.59 3ije h GLN 456 N 8.42 0.00 0.13 0.43 4.20 -1.94 -2.50 115.11 123.84 3ije h GLN 456 Ca -0.28 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.16 3ije h GLN 456 Cb 1.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.91 3ije h GLN 456 CO 0.78 0.07 -1.24 0.22 -0.67 0.00 0.00 178.83 177.99 3ije h ASP 457 N 0.00 0.47 -1.05 1.46 3.58 -1.98 -3.42 116.42 115.48 3ije h ASP 457 Ca -0.00 -0.49 -0.34 0.00 0.42 0.00 0.00 57.03 56.62 3ije h ASP 457 Cb 0.34 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 3ije h ASP 457 CO 0.01 1.38 0.89 0.21 -2.88 0.00 0.00 179.24 178.84 3ije s ASN 458 N -7.18 5.13 -0.80 2.28 3.84 -0.94 -4.89 114.94 112.38 3ije s ASN 458 Ca -0.05 -0.37 -0.03 0.00 0.21 0.00 0.00 52.86 52.63 3ije s ASN 458 Cb 0.07 -2.55 0.20 0.00 -0.55 0.00 0.00 41.25 38.42 3ije s ASN 458 CO 0.89 -2.68 0.67 -0.54 -2.79 0.00 0.00 177.10 172.64 3ije s LYS 459 N 7.09 3.07 -0.06 0.43 1.02 -1.26 -4.02 119.74 126.00 3ije s LYS 459 Ca 0.70 -2.95 -0.02 0.00 0.02 0.00 0.00 55.97 53.72 3ije s LYS 459 Cb -0.09 -3.93 -0.01 0.00 -0.52 0.00 0.00 37.83 33.29 3ije s LYS 459 CO 0.05 -1.23 -0.05 1.15 -0.92 0.00 0.00 175.35 174.36 3ije h THR 460 N 4.54 0.00 -4.11 2.17 2.02 -1.88 -3.41 112.91 112.24 3ije h THR 460 Ca 0.09 -0.51 -0.45 0.00 0.77 0.00 0.00 66.41 66.31 3ije h THR 460 Cb 0.88 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3ije h THR 460 CO 0.80 0.00 0.35 0.00 0.37 0.00 0.00 175.52 177.04 3ije s SER 462 N -2.52 6.47 0.05 0.00 1.04 -1.26 -1.65 113.70 115.82 3ije s SER 462 Ca 0.61 0.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.24 3ije s SER 462 Cb -0.09 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 3ije s SER 462 CO 0.20 0.17 1.10 -0.22 0.98 0.00 0.00 173.24 175.48 3ije s LEU 463 N -2.19 4.39 0.10 2.42 0.20 -0.74 -4.91 118.68 117.95 3ije s LEU 463 Ca 0.33 1.89 -0.28 0.00 0.69 0.00 0.00 54.13 56.76 3ije s LEU 463 Cb -0.13 -3.58 -0.12 0.00 -0.43 0.00 0.00 46.19 41.93 3ije s LEU 463 CO 0.21 -0.35 1.65 1.55 -0.29 0.00 0.00 176.35 179.11 3ije h PRO 464 N 6.58 -0.52 0.09 0.98 0.13 -1.90 -3.22 132.00 134.15 3ije h PRO 464 Ca -0.42 0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ije h PRO 464 Cb 1.22 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3ije h PRO 464 CO 0.78 -0.35 -0.04 0.78 -0.23 0.00 0.00 178.00 178.94 3ije h GLY 465 N -0.54 -0.12 -0.88 1.56 0.00 -1.93 -3.46 103.07 97.70 3ije h GLY 465 Ca -0.01 0.05 -0.45 0.00 0.00 0.00 0.00 47.33 46.92 3ije h GLY 465 CO -0.05 -0.04 0.41 -0.51 0.00 0.00 0.00 176.54 176.34 3ije s THR 466 N -4.76 2.01 -0.38 4.70 -4.23 -1.21 -5.01 115.64 106.76 3ije s THR 466 Ca -0.15 -0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.38 3ije s THR 466 Cb 0.03 -2.97 0.50 0.00 1.34 0.00 0.00 72.50 71.40 3ije s THR 466 CO 0.63 0.00 1.55 0.00 -0.54 0.00 0.00 174.62 176.26 3ije n ALA 467 N -3.75 4.99 -2.47 3.99 0.00 -1.26 -4.70 120.51 117.31 3ije n ALA 467 Ca 0.16 -3.35 -0.22 0.00 0.00 0.00 0.00 53.44 50.02 3ije n ALA 467 Cb 0.59 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 3ije n ALA 467 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3ije s LEU 468 N -3.45 2.19 0.24 0.00 0.05 -1.26 -5.06 118.68 111.39 3ije s LEU 468 Ca 0.51 -1.42 0.10 0.00 0.05 0.00 0.00 54.13 53.37 3ije s LEU 468 Cb 0.43 -0.38 -0.04 0.00 -2.05 0.00 0.00 46.19 44.15 3ije s LEU 468 CO 0.01 -0.64 -0.06 -0.54 -0.55 0.00 0.00 176.35 174.57 3ije s LYS 469 N -3.87 2.15 0.04 1.48 1.02 -1.26 -1.79 119.74 117.51 3ije s LYS 469 Ca 0.34 -1.42 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 3ije s LYS 469 Cb 0.08 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 3ije s LYS 469 CO 0.15 0.38 -0.04 0.14 -0.92 0.00 0.00 175.35 175.07 3ije s VAL 470 N -2.17 0.24 -0.96 3.17 -7.23 -0.66 -4.88 120.40 107.91 3ije s VAL 470 Ca 0.29 -1.34 -0.23 0.00 -1.81 0.00 0.00 61.98 58.90 3ije s VAL 470 Cb -0.07 -0.87 0.06 0.00 0.56 0.00 0.00 36.38 36.06 3ije s VAL 470 CO 0.18 -0.70 1.37 -0.55 -0.31 0.00 0.00 175.10 175.08 3ije s SER 471 N -2.13 6.47 0.34 4.85 0.15 -1.26 -3.07 113.70 119.05 3ije s SER 471 Ca -0.05 -1.42 0.07 0.00 0.70 0.00 0.00 55.95 55.26 3ije s SER 471 Cb -0.02 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3ije s SER 471 CO -0.04 -1.48 0.34 0.00 1.20 0.00 0.00 173.24 173.26 3ije s PHE 473 N -2.29 0.58 -0.15 0.00 -0.12 0.80 -4.94 117.98 111.86 3ije s PHE 473 Ca 0.42 -0.93 -0.07 0.00 -0.05 0.00 0.00 56.93 56.31 3ije s PHE 473 Cb -0.06 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.10 3ije s PHE 473 CO 0.28 -0.69 0.09 1.21 -0.05 0.00 0.00 175.22 176.05 3ije s ASN 474 N -3.01 5.89 -0.11 1.98 3.84 -1.26 -0.52 114.94 121.74 3ije s ASN 474 Ca 0.21 0.24 0.03 0.00 0.21 0.00 0.00 52.86 53.56 3ije s ASN 474 Cb 0.04 -1.93 0.00 0.00 -0.55 0.00 0.00 41.25 38.82 3ije s ASN 474 CO 0.02 0.29 -0.23 -0.69 -2.79 0.00 0.00 177.10 173.70 3ije s VAL 475 N -0.30 2.13 -0.11 -5.21 1.01 0.10 -2.47 120.40 115.55 3ije s VAL 475 Ca 0.09 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 3ije s VAL 475 Cb -0.12 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.48 3ije s VAL 475 CO 0.01 0.55 0.03 -0.60 0.00 0.00 0.00 175.10 175.10 3ije s ARG 476 N 0.45 0.46 0.34 2.72 3.52 -0.64 -0.88 118.95 124.92 3ije s ARG 476 Ca -0.16 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 3ije s ARG 476 Cb -0.17 -1.30 -0.01 0.00 -1.56 0.00 0.00 34.95 31.91 3ije s ARG 476 CO 0.06 -0.44 0.47 -0.59 -0.81 0.00 0.00 175.30 174.00 3ije s PHE 477 N 1.99 3.08 -0.18 5.12 -0.12 -1.17 -2.31 117.98 124.39 3ije s PHE 477 Ca 0.03 -0.24 -0.28 0.00 -0.05 0.00 0.00 56.93 56.40 3ije s PHE 477 Cb -0.14 -2.02 0.08 0.00 -0.63 0.00 0.00 43.02 40.31 3ije s PHE 477 CO -0.06 -0.04 0.78 0.00 -0.05 0.00 0.00 175.22 175.85 3ije s LEU 479 N -0.39 1.28 -0.20 0.00 1.43 -0.83 -0.45 118.68 119.53 3ije s LEU 479 Ca -0.04 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3ije s LEU 479 Cb -0.03 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.55 3ije s LEU 479 CO 0.03 -0.06 -0.15 -0.75 0.23 0.00 0.00 176.35 175.65 3ije s LYS 480 N 1.19 3.01 0.03 1.70 2.20 -0.76 -2.16 119.74 124.94 3ije s LYS 480 Ca -0.06 -0.83 0.06 0.00 -0.36 0.00 0.00 55.97 54.78 3ije s LYS 480 Cb -0.14 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 3ije s LYS 480 CO -0.02 -0.25 -0.19 0.00 -0.36 0.00 0.00 175.35 174.53 3ije s ALA 481 N 1.32 1.62 0.04 3.13 0.00 -1.26 0.67 121.76 127.28 3ije s ALA 481 Ca 0.04 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 3ije s ALA 481 Cb -0.14 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.72 3ije s ALA 481 CO -0.10 0.37 0.71 0.34 0.00 0.00 0.00 175.76 177.08 3ije s ASP 482 N -0.95 -0.54 -0.17 0.00 3.68 -0.54 -2.92 116.67 115.23 3ije s ASP 482 Ca 0.07 0.25 -0.29 0.00 2.13 0.00 0.00 52.55 54.70 3ije s ASP 482 Cb -0.08 0.52 0.12 0.00 -1.45 0.00 0.00 42.92 42.02 3ije s ASP 482 CO 0.01 -0.75 0.94 -0.83 0.13 0.00 0.00 175.17 174.67 3ije s GLY 483 N -2.10 -0.30 0.78 2.66 0.00 -1.26 0.34 107.32 107.43 3ije s GLY 483 Ca -0.02 2.04 -0.11 0.00 0.00 0.00 0.00 44.72 46.62 3ije s GLY 483 CO -0.04 1.19 1.08 0.54 0.00 0.00 0.00 173.10 175.87 3ije s LYS 484 N -0.82 2.22 0.40 2.90 1.02 -1.26 -4.93 119.74 119.27 3ije s LYS 484 Ca -0.02 0.89 0.00 0.00 0.02 0.00 0.00 55.97 56.86 3ije s LYS 484 Cb -0.01 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3ije s LYS 484 CO 0.01 -1.59 0.00 0.41 -0.92 0.00 0.00 175.35 173.26 3ije n GLY 485 N -1.67 -2.38 3.62 -3.33 0.00 -1.26 -4.62 105.19 95.55 3ije n GLY 485 Ca 0.08 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 3ije n GLY 485 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ije s VAL 486 N -0.40 4.37 0.11 1.61 1.01 -1.26 -4.84 120.40 121.00 3ije s VAL 486 Ca 0.00 1.47 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 3ije s VAL 486 Cb 0.00 -4.50 0.07 0.00 0.00 0.00 0.00 36.38 31.95 3ije s VAL 486 CO 0.00 -0.73 0.60 -1.48 0.00 0.00 0.00 175.10 173.49 3ije s LEU 487 N 4.01 -0.50 0.97 3.92 2.34 -1.26 -4.79 118.68 123.37 3ije s LEU 487 Ca 0.46 0.14 -0.12 0.00 0.06 0.00 0.00 54.13 54.67 3ije s LEU 487 Cb -0.10 2.51 0.17 0.00 -0.56 0.00 0.00 46.19 48.21 3ije s LEU 487 CO 0.23 -0.87 1.11 -2.16 -1.06 0.00 0.00 176.35 173.60 3ije s PRO 488 N -3.14 0.65 -0.18 1.48 0.04 -1.26 -4.99 135.00 127.60 3ije s PRO 488 Ca -0.02 0.44 -0.08 0.00 0.04 0.00 0.00 61.00 61.37 3ije s PRO 488 Cb -0.01 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.55 3ije s PRO 488 CO -0.08 -2.56 0.14 0.54 0.04 0.00 0.00 177.00 175.08 3ije n ARG 489 N -4.04 0.68 -2.51 4.56 1.74 -1.26 -4.73 116.66 111.10 3ije n ARG 489 Ca 0.06 0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 57.01 3ije n ARG 489 Cb 0.58 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3ije n ARG 489 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ije s LYS 490 N -2.51 3.61 -0.20 5.56 2.20 -1.26 -1.79 119.74 125.35 3ije s LYS 490 Ca -0.28 0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 3ije s LYS 490 Cb 0.08 -3.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 3ije s LYS 490 CO 0.67 -1.54 -0.03 -0.51 -0.36 0.00 0.00 175.35 173.58 3ije s LEU 491 N 4.97 3.06 -0.15 5.43 1.02 -0.23 -4.79 118.68 127.99 3ije s LEU 491 Ca 0.51 -0.28 -0.15 0.00 0.02 0.00 0.00 54.13 54.23 3ije s LEU 491 Cb -0.09 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 3ije s LEU 491 CO 0.31 0.05 0.35 0.20 0.02 0.00 0.00 176.35 177.28 3ije s ASN 492 N 1.06 6.51 -0.04 2.29 0.01 -1.26 -1.93 114.94 121.58 3ije s ASN 492 Ca 0.01 0.60 0.04 0.00 -0.71 0.00 0.00 52.86 52.80 3ije s ASN 492 Cb -0.15 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 39.30 3ije s ASN 492 CO 0.01 0.07 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.14 3ije s PHE 493 N 0.51 1.69 -0.60 2.20 0.40 0.14 -1.80 117.98 120.52 3ije s PHE 493 Ca 0.19 -0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 55.86 3ije s PHE 493 Cb -0.14 -1.14 0.12 0.00 0.51 0.00 0.00 43.02 42.37 3ije s PHE 493 CO 0.06 -0.17 0.65 -1.14 0.70 0.00 0.00 175.22 175.31 3ije s GLN 494 N 0.06 3.07 0.13 0.44 2.00 0.86 0.02 119.66 126.24 3ije s GLN 494 Ca -0.04 -1.53 -0.11 0.00 -2.00 0.00 0.00 55.36 51.67 3ije s GLN 494 Cb -0.12 -4.30 -0.06 0.00 0.80 0.00 0.00 33.01 29.33 3ije s GLN 494 CO 0.02 -1.46 0.48 0.08 -0.50 0.00 0.00 175.29 173.91 3ije s VAL 495 N 2.16 4.98 -0.02 1.34 1.01 -0.95 -1.87 120.40 127.06 3ije s VAL 495 Ca 0.09 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3ije s VAL 495 Cb -0.25 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3ije s VAL 495 CO 0.04 0.21 0.00 -0.70 0.00 0.00 0.00 175.10 174.65 3ije s GLU 496 N -2.09 0.19 0.06 2.72 2.56 -0.09 -1.71 118.70 120.35 3ije s GLU 496 Ca 0.37 0.06 0.07 0.00 0.00 0.00 0.00 54.97 55.48 3ije s GLU 496 Cb -0.14 -0.35 -0.03 0.00 2.00 0.00 0.00 34.13 35.61 3ije s GLU 496 CO 0.19 -0.10 -0.17 -0.51 -0.56 0.00 0.00 175.26 174.11 3ije s LEU 497 N 0.76 2.66 -0.04 2.70 1.02 -0.25 -0.85 118.68 124.68 3ije s LEU 497 Ca -0.07 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.62 3ije s LEU 497 Cb -0.10 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.59 3ije s LEU 497 CO -0.02 0.24 0.07 -0.76 0.02 0.00 0.00 176.35 175.90 3ije s LEU 498 N -1.62 0.36 -0.12 1.79 1.43 0.83 -2.22 118.68 119.12 3ije s LEU 498 Ca 0.16 0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 3ije s LEU 498 Cb -0.11 -0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 3ije s LEU 498 CO 0.07 -0.22 0.69 -0.76 0.23 0.00 0.00 176.35 176.36 3ije s LEU 499 N 1.88 4.25 -0.59 1.79 1.43 -0.20 -0.48 118.68 126.76 3ije s LEU 499 Ca 0.01 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 3ije s LEU 499 Cb -0.12 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 3ije s LEU 499 CO -0.04 -0.20 0.50 -0.67 0.23 0.00 0.00 176.35 176.18 3ije n ASP 500 N 4.33 -3.38 -0.15 2.29 4.64 -0.09 -4.84 116.55 119.34 3ije n ASP 500 Ca -0.01 -0.35 -0.03 0.00 -1.38 0.00 0.00 54.79 53.02 3ije n ASP 500 Cb 0.50 -2.97 0.06 0.00 -1.04 0.00 0.00 41.12 37.67 3ije n ASP 500 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3ije h LYS 501 N -0.76 0.28 -2.66 -0.67 3.11 -1.56 -2.94 116.57 111.38 3ije h LYS 501 Ca -0.32 -0.02 -0.67 0.00 -2.81 0.00 0.00 60.65 56.84 3ije h LYS 501 Cb 1.17 -0.06 -0.08 0.00 -1.00 0.00 0.00 32.23 32.26 3ije h LYS 501 CO 0.25 0.19 2.57 1.47 -2.81 0.00 0.00 179.45 181.11 3ije n LEU 502 N -5.05 8.01 0.00 5.20 -0.00 -1.26 -3.67 117.00 120.23 3ije n LEU 502 Ca 0.05 -4.56 0.00 0.00 -0.00 0.00 0.00 56.01 51.50 3ije n LEU 502 Cb 0.21 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 42.21 3ije n LEU 502 CO 0.23 2.02 0.00 0.29 -0.00 0.00 0.00 177.39 179.93 3ije n LYS 503 N 2.29 0.00 -0.32 1.47 4.76 -1.12 -4.93 118.16 120.31 3ije n LYS 503 Ca 0.66 0.00 0.23 0.00 -2.87 0.00 0.00 58.31 56.32 3ije n LYS 503 Cb 0.30 0.00 0.51 0.00 -1.84 0.00 0.00 35.03 34.00 3ije n LYS 503 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3ije h GLN 504 N 0.00 0.38 -5.15 1.97 1.08 -1.60 -1.34 115.11 110.44 3ije h GLN 504 Ca 0.00 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 3ije h GLN 504 Cb 0.00 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 3ije h GLN 504 CO 0.00 0.25 0.52 1.17 -0.95 0.00 0.00 178.83 179.82 3ije n LYS 505 N -4.62 0.23 0.00 1.46 0.00 -1.26 -3.70 118.16 110.27 3ije n LYS 505 Ca 0.25 -0.83 0.00 0.00 0.00 0.00 0.00 58.31 57.73 3ije n LYS 505 Cb 0.87 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 33.02 3ije n LYS 505 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ije n GLY 506 N 6.03 1.24 1.93 3.14 0.00 -1.26 -4.96 105.19 111.31 3ije n GLY 506 Ca 0.42 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 3ije n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ije n ALA 507 N 0.00 -0.08 -1.79 4.61 0.00 -0.51 -5.06 120.51 117.69 3ije n ALA 507 Ca 0.00 -0.95 -0.35 0.00 0.00 0.00 0.00 53.44 52.14 3ije n ALA 507 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 3ije n ALA 507 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ije s ILE 508 N -1.63 3.64 -0.82 0.00 -1.09 -1.26 -4.48 121.20 115.56 3ije s ILE 508 Ca 0.34 1.06 -0.16 0.00 -2.23 0.00 0.00 60.65 59.66 3ije s ILE 508 Cb -0.02 -3.45 0.17 0.00 -1.58 0.00 0.00 42.46 37.58 3ije s ILE 508 CO 0.23 -0.18 0.87 -0.13 -1.23 0.00 0.00 174.94 174.49 3ije s ARG 509 N -3.12 3.50 0.32 2.79 0.52 -1.26 -4.58 118.95 117.12 3ije s ARG 509 Ca 0.67 -2.04 0.26 0.00 -0.52 0.00 0.00 55.73 54.10 3ije s ARG 509 Cb -0.19 -4.56 0.97 0.00 0.52 0.00 0.00 34.95 31.69 3ije s ARG 509 CO 0.23 -1.49 1.77 0.00 0.02 0.00 0.00 175.30 175.83 3ije h ARG 510 N 8.37 0.00 -4.01 3.54 3.08 -1.93 -3.44 114.38 119.99 3ije h ARG 510 Ca 0.05 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 3ije h ARG 510 Cb 1.04 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.83 3ije h ARG 510 CO 0.93 0.00 -0.73 0.00 -1.07 0.00 0.00 179.97 179.10 3ije s ALA 511 N -3.33 0.20 0.10 0.04 0.00 -1.26 -2.68 121.76 114.82 3ije s ALA 511 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.83 3ije s ALA 511 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3ije s ALA 511 CO 0.49 0.02 -0.04 -0.51 0.00 0.00 0.00 175.76 175.72 3ije s LEU 512 N -0.31 2.41 0.40 0.00 1.43 -0.51 -4.39 118.68 117.71 3ije s LEU 512 Ca -0.02 -1.04 -0.23 0.00 -1.03 0.00 0.00 54.13 51.82 3ije s LEU 512 Cb -0.02 0.02 -0.11 0.00 0.03 0.00 0.00 46.19 46.11 3ije s LEU 512 CO -0.00 -0.53 0.95 -0.36 0.23 0.00 0.00 176.35 176.64 3ije s PHE 513 N -3.73 3.43 0.09 0.29 0.40 -0.51 0.54 117.98 118.49 3ije s PHE 513 Ca 0.13 1.67 -0.19 0.00 -0.60 0.00 0.00 56.93 57.93 3ije s PHE 513 Cb 0.06 -2.88 -0.08 0.00 0.51 0.00 0.00 43.02 40.63 3ije s PHE 513 CO -0.04 -0.03 1.61 1.25 0.70 0.00 0.00 175.22 178.70 3ije h LEU 514 N 2.32 0.33 0.05 -0.37 5.85 -1.62 0.21 115.31 122.08 3ije h LEU 514 Ca -0.48 -0.20 -0.29 0.00 0.84 0.00 0.00 57.88 57.75 3ije h LEU 514 Cb 1.18 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3ije h LEU 514 CO 0.62 0.45 -1.52 1.88 -0.34 0.00 0.00 178.44 179.53 3ije h TYR 515 N 0.20 0.20 0.00 1.25 -1.99 -1.95 -3.36 116.97 111.33 3ije h TYR 515 Ca 0.07 -0.14 -0.28 0.00 2.00 0.00 0.00 58.73 60.38 3ije h TYR 515 Cb 0.23 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 38.90 3ije h TYR 515 CO 0.00 1.20 -1.76 -1.13 -0.00 0.00 0.00 178.16 176.47 3ije n SER 516 N -3.29 0.75 -3.59 3.88 3.41 -1.25 -5.00 113.62 108.54 3ije n SER 516 Ca -0.14 0.35 -0.21 0.00 -0.26 0.00 0.00 58.87 58.61 3ije n SER 516 Cb 1.02 0.12 0.07 0.00 -0.26 0.00 0.00 64.21 65.16 3ije n SER 516 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ije n ARG 517 N -2.98 -6.58 -4.07 4.33 1.74 0.75 -4.98 116.66 104.87 3ije n ARG 517 Ca -0.18 0.77 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 3ije n ARG 517 Cb 1.04 -5.70 -0.12 0.00 -1.02 0.00 0.00 32.46 26.66 3ije n ARG 517 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ije s SER 518 N -3.93 0.84 0.31 0.55 0.15 -1.25 -4.83 113.70 105.54 3ije s SER 518 Ca 0.25 -0.52 0.26 0.00 0.70 0.00 0.00 55.95 56.64 3ije s SER 518 Cb -0.12 0.03 0.84 0.00 -1.71 0.00 0.00 66.02 65.06 3ije s SER 518 CO 0.76 -0.18 1.76 1.55 1.20 0.00 0.00 173.24 178.32 3ije h PRO 519 N 4.60 0.00 -6.07 5.44 0.13 -1.91 -1.35 132.00 132.85 3ije h PRO 519 Ca -0.35 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 3ije h PRO 519 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 3ije h PRO 519 CO 0.41 0.00 -0.63 -1.54 -0.23 0.00 0.00 178.00 176.01 3ije s SER 520 N -4.95 5.20 -0.22 1.44 1.04 -1.26 -1.03 113.70 113.91 3ije s SER 520 Ca 0.07 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.38 3ije s SER 520 Cb 0.10 -1.41 0.06 0.00 0.10 0.00 0.00 66.02 64.86 3ije s SER 520 CO 0.55 0.32 0.58 -2.28 0.98 0.00 0.00 173.24 173.40 3ije s HIS 521 N -1.00 -0.69 0.37 5.02 2.46 -0.94 -4.99 115.29 115.51 3ije s HIS 521 Ca 0.17 1.61 0.08 0.00 0.47 0.00 0.00 55.06 57.39 3ije s HIS 521 Cb -0.11 0.28 -0.03 0.00 -0.13 0.00 0.00 32.58 32.58 3ije s HIS 521 CO 0.07 -0.34 0.29 -1.12 -2.47 0.00 0.00 174.74 171.17 3ije s SER 522 N 0.59 5.06 -0.30 9.88 0.01 -1.26 -1.09 113.70 126.59 3ije s SER 522 Ca -0.02 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 3ije s SER 522 Cb -0.05 -0.77 0.19 0.00 0.21 0.00 0.00 66.02 65.60 3ije s SER 522 CO -0.03 -0.45 0.72 -0.75 0.41 0.00 0.00 173.24 173.14 3ije s LYS 523 N -4.01 0.46 -0.48 12.44 2.47 -0.69 -4.98 119.74 124.94 3ije s LYS 523 Ca 0.43 0.72 -0.27 0.00 -1.56 0.00 0.00 55.97 55.28 3ije s LYS 523 Cb -0.04 0.39 -0.04 0.00 -1.46 0.00 0.00 37.83 36.68 3ije s LYS 523 CO 0.26 -0.59 2.04 -0.80 0.16 0.00 0.00 175.35 176.42 3ije s ASN 524 N 2.88 5.18 0.09 1.43 0.01 -1.26 -2.24 114.94 121.03 3ije s ASN 524 Ca 0.15 0.91 0.03 0.00 -0.71 0.00 0.00 52.86 53.24 3ije s ASN 524 Cb -0.12 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 3ije s ASN 524 CO -0.20 -2.34 0.13 -0.32 -1.51 0.00 0.00 177.10 172.86 3ije s MET 525 N 7.03 3.05 -0.41 -0.60 1.75 0.10 -4.97 119.30 125.25 3ije s MET 525 Ca 0.82 -0.66 0.05 0.00 -1.25 0.00 0.00 55.69 54.65 3ije s MET 525 Cb -0.18 -2.80 0.19 0.00 2.84 0.00 0.00 34.83 34.87 3ije s MET 525 CO 0.26 0.56 0.38 2.41 -0.65 0.00 0.00 175.02 177.98 3ije n THR 526 N 0.21 -1.09 -1.89 10.11 -1.04 -1.26 0.28 114.28 119.59 3ije n THR 526 Ca -0.08 -3.56 -0.30 0.00 -2.04 0.00 0.00 64.05 58.08 3ije n THR 526 Cb 0.52 -1.72 0.20 0.00 -1.82 0.00 0.00 70.33 67.51 3ije n THR 526 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3ije s ILE 527 N -0.21 1.98 0.06 12.58 -4.36 -0.81 -4.79 121.20 125.64 3ije s ILE 527 Ca 0.33 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.50 3ije s ILE 527 Cb 0.07 -2.98 0.05 0.00 1.25 0.00 0.00 42.46 40.85 3ije s ILE 527 CO -0.18 0.00 0.52 -0.94 0.24 0.00 0.00 174.94 174.58 3ije s SER 528 N -4.88 -0.44 0.00 4.36 1.04 -1.26 -1.06 113.70 111.46 3ije s SER 528 Ca 0.75 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.31 3ije s SER 528 Cb -0.03 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3ije s SER 528 CO 0.53 -0.76 0.00 0.54 0.98 0.00 0.00 173.24 174.54 3ije n ARG 529 N 0.27 0.00 0.00 4.02 1.74 -0.74 -4.51 116.66 117.44 3ije n ARG 529 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3ije n ARG 529 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 3ije n ARG 529 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ije n GLY 530 N 0.00 2.37 0.00 -0.13 0.00 -1.15 -4.31 105.19 101.98 3ije n GLY 530 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3ije n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ije n GLY 531 N 0.00 3.12 3.58 -0.02 0.00 -1.26 -5.00 105.19 105.60 3ije n GLY 531 Ca 0.00 -0.90 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 3ije n GLY 531 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ije s LEU 532 N 0.00 2.80 -0.94 0.99 1.02 -1.26 -4.85 118.68 116.44 3ije s LEU 532 Ca 0.00 -1.22 -0.25 0.00 0.02 0.00 0.00 54.13 52.68 3ije s LEU 532 Cb 0.00 -2.59 -0.08 0.00 0.02 0.00 0.00 46.19 43.55 3ije s LEU 532 CO 0.00 -3.71 2.02 -0.32 0.02 0.00 0.00 176.35 174.36 3ije s MET 533 N 7.38 2.33 0.08 1.70 1.75 -1.26 -4.70 119.30 126.58 3ije s MET 533 Ca 0.75 -0.32 -0.31 0.00 -1.25 0.00 0.00 55.69 54.56 3ije s MET 533 Cb -0.04 -5.05 -0.06 0.00 2.84 0.00 0.00 34.83 32.53 3ije s MET 533 CO 0.13 -3.74 1.20 -1.14 -0.65 0.00 0.00 175.02 170.83 3ije s GLN 534 N 7.28 4.44 0.34 4.11 0.74 -0.92 -4.75 119.66 130.90 3ije s GLN 534 Ca 0.74 1.79 0.09 0.00 0.05 0.00 0.00 55.36 58.03 3ije s GLN 534 Cb -0.07 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.66 3ije s GLN 534 CO 0.04 -0.24 -0.00 0.00 -0.55 0.00 0.00 175.29 174.53 3ije s GLU 536 N -3.70 0.65 0.17 0.00 2.56 -1.14 -5.03 118.70 112.20 3ije s GLU 536 Ca 0.34 1.10 0.06 0.00 0.00 0.00 0.00 54.97 56.48 3ije s GLU 536 Cb 0.00 0.13 -0.04 0.00 2.00 0.00 0.00 34.13 36.23 3ije s GLU 536 CO 0.19 -0.15 0.08 -1.21 -0.56 0.00 0.00 175.26 173.62 3ije s GLU 537 N 1.45 2.71 -0.11 4.30 2.02 -1.26 -3.03 118.70 124.79 3ije s GLU 537 Ca -0.09 -0.96 -0.09 0.00 0.02 0.00 0.00 54.97 53.86 3ije s GLU 537 Cb -0.06 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.67 3ije s GLU 537 CO -0.16 0.47 0.28 -0.51 0.02 0.00 0.00 175.26 175.36 3ije s LEU 538 N -3.04 0.72 -0.27 1.80 1.43 -0.06 -5.02 118.68 114.24 3ije s LEU 538 Ca 0.30 0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 53.88 3ije s LEU 538 Cb -0.10 0.94 -0.05 0.00 0.03 0.00 0.00 46.19 47.02 3ije s LEU 538 CO 0.22 -0.12 0.17 0.27 0.23 0.00 0.00 176.35 177.11 3ije s ILE 539 N 0.52 5.15 -0.06 -0.59 -5.25 -1.26 0.02 121.20 119.73 3ije s ILE 539 Ca -0.03 0.11 0.03 0.00 -0.99 0.00 0.00 60.65 59.77 3ije s ILE 539 Cb -0.04 -3.44 -0.03 0.00 2.95 0.00 0.00 42.46 41.90 3ije s ILE 539 CO -0.03 0.28 -0.13 0.00 -1.79 0.00 0.00 174.94 173.27 3ije s ALA 540 N 1.64 2.73 0.44 2.27 0.00 0.32 -1.55 121.76 127.60 3ije s ALA 540 Ca 0.07 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.15 3ije s ALA 540 Cb -0.16 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 3ije s ALA 540 CO 0.09 0.53 0.45 1.52 0.00 0.00 0.00 175.76 178.35 3ije s TYR 541 N -0.65 2.57 -0.05 0.00 1.13 0.19 -0.14 117.35 120.39 3ije s TYR 541 Ca 0.10 -0.51 0.04 0.00 -1.41 0.00 0.00 57.07 55.29 3ije s TYR 541 Cb -0.11 -2.20 -0.02 0.00 -1.10 0.00 0.00 41.96 38.52 3ije s TYR 541 CO 0.01 -0.28 -0.17 -1.17 -2.51 0.00 0.00 175.55 171.44 3ije s LEU 542 N -4.22 2.59 0.96 -3.49 2.96 -0.72 -1.42 118.68 115.34 3ije s LEU 542 Ca 0.49 -0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 3ije s LEU 542 Cb -0.05 -1.51 0.17 0.00 0.50 0.00 0.00 46.19 45.30 3ije s LEU 542 CO 0.29 0.33 1.10 -0.13 -1.32 0.00 0.00 176.35 176.62 3ije s ARG 543 N -0.65 0.68 0.37 1.98 0.52 -1.09 -4.34 118.95 116.41 3ije s ARG 543 Ca 0.10 1.19 -0.27 0.00 -0.52 0.00 0.00 55.73 56.23 3ije s ARG 543 Cb -0.11 -1.71 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 3ije s ARG 543 CO 0.00 -2.75 1.26 0.34 0.02 0.00 0.00 175.30 174.18 3ije s ASP 544 N -2.85 6.58 0.47 0.23 2.15 -1.26 -4.90 116.67 117.10 3ije s ASP 544 Ca 0.66 2.57 0.27 0.00 0.43 0.00 0.00 52.55 56.48 3ije s ASP 544 Cb -0.22 -2.64 1.33 0.00 -0.30 0.00 0.00 42.92 41.09 3ije s ASP 544 CO 0.59 -0.65 1.81 -0.33 -0.17 0.00 0.00 175.17 176.42 3ije h GLU 545 N 2.99 0.18 -1.19 4.34 3.07 -1.93 -3.23 114.58 118.81 3ije h GLU 545 Ca -0.49 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3ije h GLU 545 Cb 1.23 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3ije h GLU 545 CO 0.64 0.12 0.00 0.45 -1.40 0.00 0.00 179.01 178.82 3ije n SER 546 N -4.40 0.07 0.00 1.42 2.88 -1.26 -4.17 113.62 108.16 3ije n SER 546 Ca 0.24 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3ije n SER 546 Cb 1.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 3ije n SER 546 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3ije n GLU 547 N 0.78 0.00 -1.67 -1.46 2.13 -1.22 -5.07 120.64 114.14 3ije n GLU 547 Ca 0.00 0.00 -0.48 0.00 0.66 0.00 0.00 57.16 57.34 3ije n GLU 547 Cb 0.01 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.67 3ije n GLU 547 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3ije n PHE 548 N 0.00 2.20 -0.07 4.31 1.16 -1.26 -4.72 117.46 119.07 3ije n PHE 548 Ca 0.00 0.23 -0.13 0.00 -1.87 0.00 0.00 57.45 55.68 3ije n PHE 548 Cb 0.00 -2.56 -0.14 0.00 -1.61 0.00 0.00 39.48 35.17 3ije n PHE 548 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 3ije n ARG 549 N 4.61 0.68 -2.13 3.97 0.00 -1.26 -4.87 116.66 117.66 3ije n ARG 549 Ca 0.20 0.14 -0.42 0.00 -0.00 0.00 0.00 57.85 57.76 3ije n ARG 549 Cb 0.27 -1.62 -0.03 0.00 0.00 0.00 0.00 32.46 31.08 3ije n ARG 549 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3ije s ASP 550 N -6.04 6.76 0.00 6.15 -1.08 -1.26 -4.87 116.67 116.33 3ije s ASP 550 Ca -0.15 2.12 0.00 0.00 -0.52 0.00 0.00 52.55 54.01 3ije s ASP 550 Cb 0.07 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 3ije s ASP 550 CO 0.78 -0.84 0.65 0.29 0.52 0.00 0.00 175.17 176.56 3ije n LYS 551 N 6.50 0.98 -0.07 4.34 5.02 -1.26 -4.80 118.16 128.86 3ije n LYS 551 Ca 0.16 -0.86 -0.08 0.00 -2.02 0.00 0.00 58.31 55.51 3ije n LYS 551 Cb 0.43 -0.84 -0.10 0.00 -0.02 0.00 0.00 35.03 34.50 3ije n LYS 551 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3ije n LEU 552 N -0.21 0.67 -4.77 -0.35 7.94 -1.26 -4.62 117.00 114.41 3ije n LEU 552 Ca 0.00 -0.02 -0.39 0.00 -1.11 0.00 0.00 56.01 54.49 3ije n LEU 552 Cb 0.23 0.12 -0.01 0.00 0.53 0.00 0.00 43.42 44.29 3ije n LEU 552 CO 0.00 0.42 0.91 -0.89 -1.11 0.00 0.00 177.39 176.73 3ije s THR 553 N -2.32 2.83 0.58 1.96 2.01 -1.26 -4.75 115.64 114.68 3ije s THR 553 Ca -0.10 0.73 -0.17 0.00 0.31 0.00 0.00 61.69 62.46 3ije s THR 553 Cb 0.04 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3ije s THR 553 CO 0.50 0.10 1.07 -2.84 -0.69 0.00 0.00 174.62 172.75 3ije s PRO 554 N -2.23 3.33 -0.71 4.92 0.02 -1.26 -4.70 135.00 134.37 3ije s PRO 554 Ca 0.56 1.30 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 3ije s PRO 554 Cb -0.35 -2.03 0.18 0.00 0.02 0.00 0.00 34.50 32.32 3ije s PRO 554 CO 0.45 -0.81 0.67 0.42 -0.33 0.00 0.00 177.00 177.40 3ije s ILE 555 N -2.28 5.42 -0.28 2.83 1.01 0.25 -4.94 121.20 123.20 3ije s ILE 555 Ca 0.66 -2.03 -0.29 0.00 0.00 0.00 0.00 60.65 58.98 3ije s ILE 555 Cb -0.18 -4.42 0.01 0.00 0.01 0.00 0.00 42.46 37.88 3ije s ILE 555 CO 0.34 -0.98 1.13 -0.89 0.00 0.00 0.00 174.94 174.54 3ije s THR 556 N 0.84 4.45 -0.20 2.92 2.01 -1.26 -0.75 115.64 123.65 3ije s THR 556 Ca 0.12 1.70 -0.25 0.00 0.31 0.00 0.00 61.69 63.57 3ije s THR 556 Cb -0.18 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.01 3ije s THR 556 CO -0.04 -0.38 0.81 -0.63 -0.69 0.00 0.00 174.62 173.70 3ije s ILE 557 N 3.67 4.88 -0.12 1.82 -1.09 0.18 -0.91 121.20 129.62 3ije s ILE 557 Ca 0.48 1.57 0.00 0.00 -2.23 0.00 0.00 60.65 60.48 3ije s ILE 557 Cb -0.15 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 3ije s ILE 557 CO 0.15 0.00 -0.14 0.12 -1.23 0.00 0.00 174.94 173.84 3ije s PHE 558 N 2.35 2.79 -0.08 3.97 5.36 0.37 -1.45 117.98 131.29 3ije s PHE 558 Ca 0.36 -0.61 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 3ije s PHE 558 Cb -0.16 -1.82 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 3ije s PHE 558 CO 0.10 -0.18 -0.18 1.41 -1.46 0.00 0.00 175.22 174.92 3ije s MET 559 N 0.24 2.39 0.23 10.12 -2.45 -0.33 -0.12 119.30 129.38 3ije s MET 559 Ca -0.09 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.76 3ije s MET 559 Cb -0.15 -1.87 -0.05 0.00 1.25 0.00 0.00 34.83 34.00 3ije s MET 559 CO 0.05 0.10 -0.08 -1.83 1.05 0.00 0.00 175.02 174.32 3ije s GLU 560 N 0.52 1.37 -0.11 4.11 -1.05 -0.03 -0.02 118.70 123.48 3ije s GLU 560 Ca -0.16 -1.66 -0.16 0.00 -0.15 0.00 0.00 54.97 52.83 3ije s GLU 560 Cb -0.17 -0.94 0.04 0.00 -0.44 0.00 0.00 34.13 32.62 3ije s GLU 560 CO 0.06 0.05 0.42 1.52 0.95 0.00 0.00 175.26 178.26 3ije s TYR 561 N -3.14 -0.40 0.02 4.83 -0.85 -0.43 -0.91 117.35 116.47 3ije s TYR 561 Ca 0.25 0.88 0.03 0.00 -0.52 0.00 0.00 57.07 57.71 3ije s TYR 561 Cb 0.03 0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.52 3ije s TYR 561 CO 0.08 -0.31 -0.10 0.50 -1.52 0.00 0.00 175.55 174.20 3ije s ARG 562 N -0.38 0.70 0.58 -3.49 3.52 -0.78 -4.81 118.95 114.30 3ije s ARG 562 Ca -0.05 -0.57 -0.15 0.00 -0.13 0.00 0.00 55.73 54.83 3ije s ARG 562 Cb -0.03 -0.64 -0.04 0.00 -1.56 0.00 0.00 34.95 32.68 3ije s ARG 562 CO 0.03 0.16 1.04 -1.17 -0.81 0.00 0.00 175.30 174.54 3ije s LEU 563 N -0.87 3.49 -0.14 -0.88 2.96 -1.26 -0.09 118.68 121.88 3ije s LEU 563 Ca -0.01 1.73 -0.13 0.00 -0.22 0.00 0.00 54.13 55.50 3ije s LEU 563 Cb -0.06 -4.52 -0.05 0.00 0.50 0.00 0.00 46.19 42.06 3ije s LEU 563 CO 0.00 -1.05 0.30 -1.81 -1.32 0.00 0.00 176.35 172.47 3ije s ASP 564 N -2.98 6.48 -0.04 3.68 1.11 -0.75 -4.80 116.67 119.38 3ije s ASP 564 Ca 0.62 0.56 -0.04 0.00 0.18 0.00 0.00 52.55 53.87 3ije s ASP 564 Cb -0.14 -2.18 -0.02 0.00 1.07 0.00 0.00 42.92 41.64 3ije s ASP 564 CO 0.38 0.15 0.25 1.88 1.18 0.00 0.00 175.17 179.01 3ije h TYR 565 N 6.30 -0.13 -0.01 4.23 -1.99 -1.96 -3.38 116.97 120.03 3ije h TYR 565 Ca -0.44 -0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.09 3ije h TYR 565 Cb 1.18 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.94 3ije h TYR 565 CO 0.63 -0.08 -0.86 0.00 -0.00 0.00 0.00 178.16 177.85 3ije h ARG 566 N -0.58 0.28 -5.91 4.88 3.08 -1.98 -3.27 114.38 110.89 3ije h ARG 566 Ca -0.01 -0.28 -0.65 0.00 0.07 0.00 0.00 59.98 59.10 3ije h ARG 566 Cb 0.11 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.15 3ije h ARG 566 CO 0.02 0.98 2.01 -0.08 -1.07 0.00 0.00 179.97 181.84 3ije s THR 567 N -3.31 4.06 0.00 2.04 -1.32 -1.26 -2.57 115.64 113.27 3ije s THR 567 Ca -0.04 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 3ije s THR 567 Cb 0.10 -5.14 0.00 0.00 -1.51 0.00 0.00 72.50 65.95 3ije s THR 567 CO 0.84 -1.98 0.00 0.00 -2.21 0.00 0.00 174.62 171.27 3ije n ALA 568 N 8.70 0.00 -1.18 11.08 0.00 -1.25 -4.44 120.51 133.42 3ije n ALA 568 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 3ije n ALA 568 Cb 0.47 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.07 3ije n ALA 568 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ije s ALA 569 N 0.00 1.31 0.80 0.00 0.00 -1.06 -4.50 121.76 118.31 3ije s ALA 569 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3ije s ALA 569 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3ije s ALA 569 CO 0.00 -2.55 0.00 -0.40 0.00 0.00 0.00 175.76 172.81 3ije n ASP 570 N -4.00 0.00 -0.02 0.00 3.85 -1.24 -4.89 116.55 110.25 3ije n ASP 570 Ca 0.06 0.00 -0.16 0.00 -0.71 0.00 0.00 54.79 53.98 3ije n ASP 570 Cb 0.56 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.24 3ije n ASP 570 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3ije h THR 571 N 0.00 1.39 -0.78 2.12 1.35 -1.98 -3.31 112.91 111.70 3ije h THR 571 Ca 0.00 -1.87 -0.45 0.00 -0.55 0.00 0.00 66.41 63.54 3ije h THR 571 Cb 0.00 2.32 -0.24 0.00 -1.73 0.00 0.00 68.15 68.51 3ije h THR 571 CO 0.00 0.55 0.58 0.41 -0.25 0.00 0.00 175.52 176.81 3ije n THR 572 N -4.27 2.93 -3.25 6.82 -1.04 -1.26 -4.91 114.28 109.30 3ije n THR 572 Ca -0.09 -1.83 -0.15 0.00 -2.04 0.00 0.00 64.05 59.94 3ije n THR 572 Cb 0.60 -0.82 0.08 0.00 -1.82 0.00 0.00 70.33 68.36 3ije n THR 572 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ije n GLY 573 N -0.64 -0.27 3.29 3.41 0.00 -1.25 -4.97 105.19 104.76 3ije n GLY 573 Ca 0.48 0.03 -0.45 0.00 0.00 0.00 0.00 46.02 46.08 3ije n GLY 573 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ije s LEU 574 N -5.80 6.42 0.28 0.99 2.96 -1.26 -4.91 118.68 117.36 3ije s LEU 574 Ca 0.00 -2.93 -0.29 0.00 -0.22 0.00 0.00 54.13 50.70 3ije s LEU 574 Cb -0.00 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 44.45 3ije s LEU 574 CO 0.64 -0.47 1.13 -1.10 -1.32 0.00 0.00 176.35 175.23 3ije s GLN 575 N -0.20 4.59 0.68 1.98 -0.21 -1.26 -3.62 119.66 121.62 3ije s GLN 575 Ca 0.20 1.86 -0.11 0.00 0.02 0.00 0.00 55.36 57.34 3ije s GLN 575 Cb -0.11 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3ije s GLN 575 CO -0.08 0.14 1.05 -1.25 -2.12 0.00 0.00 175.29 173.03 3ije s PRO 576 N -1.40 3.12 0.16 2.91 0.04 -1.26 -4.53 135.00 134.03 3ije s PRO 576 Ca 0.46 0.86 0.11 0.00 0.04 0.00 0.00 61.00 62.46 3ije s PRO 576 Cb -0.33 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3ije s PRO 576 CO 0.42 -0.95 -0.24 -1.50 0.04 0.00 0.00 177.00 174.77 3ije s ILE 577 N -3.10 2.38 0.50 0.56 1.10 0.22 -4.94 121.20 117.92 3ije s ILE 577 Ca 0.57 -1.86 -0.07 0.00 -0.51 0.00 0.00 60.65 58.77 3ije s ILE 577 Cb -0.13 -2.11 -0.04 0.00 0.15 0.00 0.00 42.46 40.33 3ije s ILE 577 CO 0.55 -0.01 0.84 -0.76 -2.11 0.00 0.00 174.94 173.44 3ije s LEU 578 N -2.38 3.57 -0.02 8.50 1.02 -1.26 -1.40 118.68 126.71 3ije s LEU 578 Ca 0.18 1.08 -0.30 0.00 0.02 0.00 0.00 54.13 55.11 3ije s LEU 578 Cb -0.09 -4.05 -0.05 0.00 0.02 0.00 0.00 46.19 42.02 3ije s LEU 578 CO 0.08 -0.62 1.44 0.21 0.02 0.00 0.00 176.35 177.48 3ije s ASN 579 N -3.97 6.82 0.51 2.29 2.47 -0.72 -4.74 114.94 117.61 3ije s ASN 579 Ca 0.50 2.11 0.18 0.00 0.42 0.00 0.00 52.86 56.07 3ije s ASN 579 Cb -0.10 -2.55 1.27 0.00 -1.45 0.00 0.00 41.25 38.41 3ije s ASN 579 CO 0.45 -0.76 2.08 0.06 -3.72 0.00 0.00 177.10 175.20 3ije h GLN 580 N 8.14 0.07 -1.77 0.43 3.07 -1.95 -2.13 115.11 120.97 3ije h GLN 580 Ca -0.37 -0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.67 3ije h GLN 580 Cb 1.17 -0.02 -0.26 0.00 0.08 0.00 0.00 27.48 28.46 3ije h GLN 580 CO 0.92 0.05 0.91 0.34 0.09 0.00 0.00 178.83 181.13 3ije n PHE 581 N -4.47 2.78 -3.69 0.06 7.35 -1.26 -4.85 117.46 113.38 3ije n PHE 581 Ca 0.03 -2.41 -0.22 0.00 -0.76 0.00 0.00 57.45 54.10 3ije n PHE 581 Cb 0.29 -1.26 -0.18 0.00 0.35 0.00 0.00 39.48 38.68 3ije n PHE 581 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3ije s THR 582 N -4.52 0.04 0.29 -2.13 2.01 -0.80 -5.14 115.64 105.39 3ije s THR 582 Ca 0.55 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 3ije s THR 582 Cb 0.44 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 72.54 3ije s THR 582 CO -0.29 0.14 1.09 -2.16 -0.69 0.00 0.00 174.62 172.72 3ije s PRO 583 N 2.11 4.58 -0.25 4.92 0.04 -1.26 -4.90 135.00 140.23 3ije s PRO 583 Ca 0.05 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.88 3ije s PRO 583 Cb -0.13 -3.11 0.40 0.00 0.04 0.00 0.00 34.50 31.70 3ije s PRO 583 CO -0.04 0.17 1.52 0.00 0.04 0.00 0.00 177.00 178.68 3ije n ALA 584 N 1.04 4.24 -3.54 8.56 0.00 -1.26 -4.87 120.51 124.68 3ije n ALA 584 Ca -0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 53.44 51.69 3ije n ALA 584 Cb 0.45 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3ije n ALA 584 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ije s ASN 585 N -0.35 -0.41 0.02 0.00 2.20 -1.26 -1.32 114.94 113.82 3ije s ASN 585 Ca 0.33 -0.11 -0.02 0.00 -0.94 0.00 0.00 52.86 52.13 3ije s ASN 585 Cb 0.28 0.51 -0.02 0.00 -2.00 0.00 0.00 41.25 40.02 3ije s ASN 585 CO 0.07 -0.85 0.01 -0.51 -2.94 0.00 0.00 177.10 172.87 3ije s ILE 586 N -3.45 0.12 -0.05 0.54 2.07 0.97 -4.98 121.20 116.41 3ije s ILE 586 Ca 0.05 -0.95 0.05 0.00 -1.41 0.00 0.00 60.65 58.39 3ije s ILE 586 Cb -0.02 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.14 3ije s ILE 586 CO -0.08 -0.52 -0.20 -0.44 -1.91 0.00 0.00 174.94 171.79 3ije s SER 587 N -1.60 2.51 0.31 4.50 0.01 -1.26 -1.19 113.70 116.98 3ije s SER 587 Ca -0.13 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.74 3ije s SER 587 Cb -0.08 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.42 3ije s SER 587 CO -0.01 0.19 0.10 -0.60 0.41 0.00 0.00 173.24 173.32 3ije s ARG 588 N -0.05 1.59 -0.22 12.44 6.06 -0.53 -5.01 118.95 133.23 3ije s ARG 588 Ca -0.04 -1.89 -0.21 0.00 -2.50 0.00 0.00 55.73 51.10 3ije s ARG 588 Cb -0.12 -0.47 0.06 0.00 0.06 0.00 0.00 34.95 34.47 3ije s ARG 588 CO 0.03 -0.31 0.59 1.14 -2.50 0.00 0.00 175.30 174.24 3ije s GLN 589 N -3.91 0.69 0.11 5.12 -2.07 -1.26 0.48 119.66 118.83 3ije s GLN 589 Ca 0.35 0.80 0.02 0.00 -1.82 0.00 0.00 55.36 54.71 3ije s GLN 589 Cb 0.07 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.29 3ije s GLN 589 CO 0.15 -0.09 0.21 0.00 -1.32 0.00 0.00 175.29 174.24 3ije s ALA 590 N 0.27 3.86 -0.08 2.60 0.00 0.07 -4.90 121.76 123.58 3ije s ALA 590 Ca -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3ije s ALA 590 Cb -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.41 3ije s ALA 590 CO 0.01 0.65 -0.19 -1.01 0.00 0.00 0.00 175.76 175.22 3ije s HIS 591 N -1.62 2.08 0.33 0.00 0.09 -1.13 0.85 115.29 115.88 3ije s HIS 591 Ca 0.33 -0.80 -0.29 0.00 -0.00 0.00 0.00 55.06 54.31 3ije s HIS 591 Cb -0.12 -1.42 -0.11 0.00 -0.00 0.00 0.00 32.58 30.93 3ije s HIS 591 CO 0.27 -0.33 1.51 0.42 -0.00 0.00 0.00 174.74 176.60 3ije s ILE 592 N 0.40 2.17 -0.05 0.60 1.01 -1.26 -1.33 121.20 122.74 3ije s ILE 592 Ca -0.15 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 3ije s ILE 592 Cb -0.16 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 3ije s ILE 592 CO 0.06 0.03 1.72 -0.22 0.00 0.00 0.00 174.94 176.53 3ije s LEU 593 N -1.30 4.30 -0.15 2.97 1.98 0.18 -4.77 118.68 121.88 3ije s LEU 593 Ca 0.57 2.28 -0.05 0.00 -2.89 0.00 0.00 54.13 54.03 3ije s LEU 593 Cb -0.46 -3.53 0.07 0.00 0.66 0.00 0.00 46.19 42.93 3ije s LEU 593 CO 0.55 -0.99 0.32 -0.22 -1.89 0.00 0.00 176.35 174.11 3ije s LEU 594 N 4.26 -0.42 0.00 -0.68 2.96 -1.26 -4.83 118.68 118.71 3ije s LEU 594 Ca 0.77 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.39 3ije s LEU 594 Cb -0.35 0.92 0.00 0.00 0.50 0.00 0.00 46.19 47.26 3ije s LEU 594 CO 0.32 -0.24 0.00 0.47 -1.32 0.00 0.00 176.35 175.58 3ije n ASP 595 N 5.36 0.00 0.00 3.68 8.00 -1.26 -4.94 116.55 127.40 3ije n ASP 595 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3ije n ASP 595 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3ije n ASP 595 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ije n GLY 597 N -2.02 -1.70 0.36 0.00 0.00 -1.26 -3.59 105.19 96.99 3ije n GLY 597 Ca 0.00 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.72 3ije n GLY 597 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ije h GLU 598 N -0.25 0.24 0.00 1.61 9.09 -1.95 -2.00 114.58 121.32 3ije h GLU 598 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.39 3ije h GLU 598 Cb 0.24 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3ije h GLU 598 CO 0.01 0.16 0.00 -0.40 0.05 0.00 0.00 179.01 178.82 3ije n ASP 599 N -4.44 0.00 -0.04 3.06 5.68 -1.26 -4.89 116.55 114.66 3ije n ASP 599 Ca 0.10 -0.22 -0.00 0.00 -0.50 0.00 0.00 54.79 54.17 3ije n ASP 599 Cb 0.48 -0.23 -0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3ije n ASP 599 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3ije n ASN 600 N -1.23 -4.98 -4.25 -1.12 3.02 -0.75 -4.97 115.26 100.97 3ije n ASN 600 Ca 0.13 0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.37 3ije n ASN 600 Cb 0.17 -2.52 -0.16 0.00 -0.61 0.00 0.00 39.78 36.66 3ije n ASN 600 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ije s VAL 601 N -1.37 2.35 -0.31 2.41 0.11 -1.24 -4.99 120.40 117.36 3ije s VAL 601 Ca 0.00 -0.91 -0.23 0.00 -2.93 0.00 0.00 61.98 57.91 3ije s VAL 601 Cb 0.00 -1.93 -0.00 0.00 -1.53 0.00 0.00 36.38 32.92 3ije s VAL 601 CO 0.00 0.55 0.76 0.00 -3.33 0.00 0.00 175.10 173.08 3ije s LYS 603 N 2.91 2.06 0.88 0.00 1.02 -1.26 -4.58 119.74 120.77 3ije s LYS 603 Ca 0.31 -1.64 -0.12 0.00 0.02 0.00 0.00 55.97 54.53 3ije s LYS 603 Cb -0.14 -3.38 0.15 0.00 -0.52 0.00 0.00 37.83 33.94 3ije s LYS 603 CO 0.13 -0.90 1.22 -1.25 -0.92 0.00 0.00 175.35 173.63 3ije s PRO 604 N 1.14 1.19 -0.34 -1.68 0.04 -1.25 -0.86 135.00 133.23 3ije s PRO 604 Ca 0.04 -0.39 -0.01 0.00 0.04 0.00 0.00 61.00 60.69 3ije s PRO 604 Cb -0.21 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.50 3ije s PRO 604 CO -0.04 -2.01 0.20 0.21 0.04 0.00 0.00 177.00 175.40 3ije s LYS 605 N -5.67 0.47 -0.08 4.56 2.36 -1.26 -4.64 119.74 115.47 3ije s LYS 605 Ca 0.69 -1.12 -0.16 0.00 -2.55 0.00 0.00 55.97 52.83 3ije s LYS 605 Cb -0.06 -1.23 -0.05 0.00 -1.05 0.00 0.00 37.83 35.44 3ije s LYS 605 CO 0.50 -1.17 0.42 -0.51 1.55 0.00 0.00 175.35 176.15 3ije s LEU 606 N 1.33 4.34 -0.03 5.43 2.01 -1.26 -1.08 118.68 129.43 3ije s LEU 606 Ca 0.16 0.82 0.02 0.00 0.01 0.00 0.00 54.13 55.13 3ije s LEU 606 Cb -0.21 -2.60 0.01 0.00 0.01 0.00 0.00 46.19 43.39 3ije s LEU 606 CO -0.08 0.13 -0.06 -1.61 1.01 0.00 0.00 176.35 175.74 3ije s GLU 607 N -0.01 0.77 0.01 1.70 2.02 -0.37 -4.16 118.70 118.66 3ije s GLU 607 Ca 0.24 -0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.07 3ije s GLU 607 Cb -0.15 -0.75 -0.02 0.00 0.10 0.00 0.00 34.13 33.31 3ije s GLU 607 CO 0.10 0.05 -0.15 0.54 0.02 0.00 0.00 175.26 175.82 3ije s VAL 608 N 0.35 1.20 -0.03 2.63 0.11 -1.26 -1.47 120.40 121.92 3ije s VAL 608 Ca -0.05 -0.83 -0.27 0.00 -2.93 0.00 0.00 61.98 57.91 3ije s VAL 608 Cb -0.09 -1.04 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 3ije s VAL 608 CO 0.00 0.20 0.58 -0.94 -3.33 0.00 0.00 175.10 171.61 3ije s SER 609 N -0.73 -0.54 0.20 3.54 1.04 -1.03 -4.89 113.70 111.30 3ije s SER 609 Ca 0.04 0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.99 3ije s SER 609 Cb -0.07 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 3ije s SER 609 CO 0.00 -0.58 0.17 0.68 0.98 0.00 0.00 173.24 174.49 3ije s VAL 610 N -1.30 0.01 0.04 5.02 -7.23 -1.26 -0.59 120.40 115.08 3ije s VAL 610 Ca -0.11 -1.92 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 3ije s VAL 610 Cb -0.01 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.51 3ije s VAL 610 CO 0.08 -0.03 0.31 -0.62 -0.31 0.00 0.00 175.10 174.53 3ije s ASP 611 N -3.14 -0.14 -0.72 4.85 -1.08 -1.23 -5.04 116.67 110.18 3ije s ASP 611 Ca 0.36 -0.17 -0.26 0.00 -0.52 0.00 0.00 52.55 51.95 3ije s ASP 611 Cb 0.06 0.36 0.04 0.00 -1.46 0.00 0.00 42.92 41.92 3ije s ASP 611 CO 0.11 -0.62 1.22 -0.94 0.52 0.00 0.00 175.17 175.46 3ije s SER 612 N -2.06 6.18 0.03 -0.34 1.04 -1.26 -4.16 113.70 113.13 3ije s SER 612 Ca -0.05 -0.51 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 3ije s SER 612 Cb -0.01 -2.54 -0.17 0.00 0.10 0.00 0.00 66.02 63.40 3ije s SER 612 CO -0.03 -1.75 1.45 -0.78 0.98 0.00 0.00 173.24 173.10 3ije h ASP 613 N 9.92 -0.15 -3.35 7.02 1.82 -1.99 -3.40 116.42 126.29 3ije h ASP 613 Ca -0.28 -0.20 -0.67 0.00 -0.39 0.00 0.00 57.03 55.50 3ije h ASP 613 Cb 1.05 0.04 -0.36 0.00 0.68 0.00 0.00 39.33 40.74 3ije h ASP 613 CO 1.26 0.12 -0.84 0.00 -1.61 0.00 0.00 179.24 178.17 3ije s GLN 614 N -5.17 2.67 0.45 0.28 0.00 -1.26 -5.02 119.66 111.61 3ije s GLN 614 Ca -0.15 -1.00 0.28 0.00 -0.00 0.00 0.00 55.36 54.49 3ije s GLN 614 Cb 0.03 -2.66 0.84 0.00 0.00 0.00 0.00 33.01 31.23 3ije s GLN 614 CO 0.63 -0.34 1.78 0.87 0.00 0.00 0.00 175.29 178.23 3ije h LYS 615 N 7.89 0.00 -6.19 9.60 1.57 -1.96 -3.45 116.57 124.02 3ije h LYS 615 Ca -0.36 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.74 3ije h LYS 615 Cb 1.10 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.22 3ije h LYS 615 CO 0.57 0.00 -0.71 0.15 -0.57 0.00 0.00 179.45 178.89 3ije s LYS 616 N -3.39 2.68 -0.30 3.15 -0.14 -1.26 -3.44 119.74 117.04 3ije s LYS 616 Ca 0.05 -0.60 0.02 0.00 -1.36 0.00 0.00 55.97 54.08 3ije s LYS 616 Cb 0.08 -2.54 0.09 0.00 -1.68 0.00 0.00 37.83 33.77 3ije s LYS 616 CO 0.59 0.65 0.03 0.42 -0.76 0.00 0.00 175.35 176.28 3ije s ILE 617 N -0.83 1.68 0.06 2.17 1.01 0.00 -4.97 121.20 120.32 3ije s ILE 617 Ca 0.13 -1.76 -0.31 0.00 0.00 0.00 0.00 60.65 58.72 3ije s ILE 617 Cb -0.11 -2.15 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 3ije s ILE 617 CO 0.02 -0.47 1.21 -0.31 0.00 0.00 0.00 174.94 175.39 3ije s TYR 618 N 1.24 3.42 0.53 3.97 1.51 -1.26 -0.55 117.35 126.20 3ije s TYR 618 Ca 0.05 1.28 -0.18 0.00 -1.01 0.00 0.00 57.07 57.21 3ije s TYR 618 Cb -0.18 -3.43 -0.07 0.00 -0.11 0.00 0.00 41.96 38.16 3ije s TYR 618 CO -0.12 -1.34 1.04 0.42 -1.11 0.00 0.00 175.55 174.44 3ije s ILE 619 N 1.10 3.82 0.00 2.71 1.01 0.05 -4.35 121.20 125.54 3ije s ILE 619 Ca 0.59 1.02 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3ije s ILE 619 Cb -0.30 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3ije s ILE 619 CO 0.29 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.49 3ije n GLY 620 N -0.56 0.69 3.82 6.18 0.00 -1.23 -1.65 105.19 112.45 3ije n GLY 620 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 3ije n GLY 620 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ije s ASP 621 N -1.82 0.01 0.48 1.61 3.84 -1.26 -4.77 116.67 114.77 3ije s ASP 621 Ca 0.00 -1.09 -0.22 0.00 -0.00 0.00 0.00 52.55 51.24 3ije s ASP 621 Cb 0.00 0.80 -0.07 0.00 -1.38 0.00 0.00 42.92 42.27 3ije s ASP 621 CO 0.00 -1.59 1.14 -1.81 -0.00 0.00 0.00 175.17 172.91 3ije s ASP 622 N -3.13 6.07 -0.11 2.11 1.11 -1.26 -4.55 116.67 116.90 3ije s ASP 622 Ca 0.17 2.24 -0.04 0.00 0.18 0.00 0.00 52.55 55.10 3ije s ASP 622 Cb -0.05 -2.59 0.06 0.00 1.07 0.00 0.00 42.92 41.41 3ije s ASP 622 CO 0.11 -0.98 0.22 0.21 1.18 0.00 0.00 175.17 175.90 3ije s ASN 623 N -1.51 0.57 0.08 0.27 3.84 -0.90 -4.97 114.94 112.30 3ije s ASN 623 Ca 0.66 0.45 -0.31 0.00 0.21 0.00 0.00 52.86 53.87 3ije s ASN 623 Cb -0.26 0.51 -0.06 0.00 -0.55 0.00 0.00 41.25 40.88 3ije s ASN 623 CO 0.31 -0.25 1.24 -2.16 -2.79 0.00 0.00 177.10 173.45 3ije s PRO 624 N 2.36 4.41 -0.12 0.43 0.04 -1.26 -2.19 135.00 138.68 3ije s PRO 624 Ca 0.02 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.85 3ije s PRO 624 Cb -0.12 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.15 3ije s PRO 624 CO -0.07 -0.29 0.22 -1.17 0.04 0.00 0.00 177.00 175.73 3ije s LEU 625 N 1.03 -0.20 -0.08 -3.56 2.96 -0.81 -5.00 118.68 113.02 3ije s LEU 625 Ca 0.60 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 3ije s LEU 625 Cb -0.31 0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.88 3ije s LEU 625 CO 0.30 -0.25 -0.20 0.28 -1.32 0.00 0.00 176.35 175.16 3ije s THR 626 N 2.36 2.49 -0.04 3.68 -1.32 -1.26 0.08 115.64 121.64 3ije s THR 626 Ca 0.02 -0.90 0.06 0.00 -1.21 0.00 0.00 61.69 59.67 3ije s THR 626 Cb -0.12 -1.96 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 3ije s THR 626 CO -0.08 0.56 -0.22 -1.48 -2.21 0.00 0.00 174.62 171.20 3ije s LEU 627 N -0.09 2.02 -0.01 9.08 0.05 -1.06 -4.37 118.68 124.29 3ije s LEU 627 Ca -0.04 -0.43 -0.20 0.00 0.05 0.00 0.00 54.13 53.51 3ije s LEU 627 Cb -0.14 -1.18 -0.05 0.00 -2.05 0.00 0.00 46.19 42.76 3ije s LEU 627 CO 0.04 0.23 0.56 -0.63 -0.55 0.00 0.00 176.35 176.01 3ije s ILE 628 N -0.24 4.93 -0.06 1.48 1.09 -1.26 -2.35 121.20 124.80 3ije s ILE 628 Ca 0.01 1.18 0.06 0.00 -1.10 0.00 0.00 60.65 60.79 3ije s ILE 628 Cb -0.11 -3.90 -0.01 0.00 -1.06 0.00 0.00 42.46 37.38 3ije s ILE 628 CO 0.02 0.43 -0.24 -0.69 -0.10 0.00 0.00 174.94 174.36 3ije s VAL 629 N -0.26 1.95 -0.36 2.92 1.01 0.14 -3.48 120.40 122.32 3ije s VAL 629 Ca 0.30 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3ije s VAL 629 Cb -0.18 -1.65 0.09 0.00 0.00 0.00 0.00 36.38 34.64 3ije s VAL 629 CO 0.16 0.54 0.10 -0.75 0.00 0.00 0.00 175.10 175.16 3ije s LYS 630 N -0.12 2.05 -0.26 2.72 2.20 0.24 -1.33 119.74 125.24 3ije s LYS 630 Ca -0.04 -1.64 -0.09 0.00 -0.36 0.00 0.00 55.97 53.84 3ije s LYS 630 Cb -0.13 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3ije s LYS 630 CO 0.04 -0.89 0.12 0.00 -0.36 0.00 0.00 175.35 174.26 3ije s ALA 631 N 1.13 3.34 0.03 3.13 0.00 -0.77 -2.45 121.76 126.17 3ije s ALA 631 Ca 0.04 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.93 3ije s ALA 631 Cb -0.21 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 3ije s ALA 631 CO -0.04 -0.49 -0.10 1.14 0.00 0.00 0.00 175.76 176.28 3ije s GLN 632 N 1.63 0.67 -0.30 0.00 -2.07 -0.54 -0.21 119.66 118.83 3ije s GLN 632 Ca 0.07 -0.60 -0.04 0.00 -1.82 0.00 0.00 55.36 52.97 3ije s GLN 632 Cb -0.15 -0.59 0.04 0.00 -1.09 0.00 0.00 33.01 31.22 3ije s GLN 632 CO 0.07 0.14 0.03 1.21 -1.32 0.00 0.00 175.29 175.42 3ije s ASN 633 N -0.99 4.97 -0.01 12.60 3.04 -1.22 -1.24 114.94 132.09 3ije s ASN 633 Ca -0.02 -1.14 0.21 0.00 0.04 0.00 0.00 52.86 51.95 3ije s ASN 633 Cb -0.07 -1.77 -0.26 0.00 -1.54 0.00 0.00 41.25 37.61 3ije s ASN 633 CO 0.01 -0.26 0.75 0.00 -3.04 0.00 0.00 177.10 174.55 3ije n GLN 634 N 4.70 0.29 0.00 0.43 1.13 -0.24 0.12 117.38 123.81 3ije n GLN 634 Ca -0.13 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 3ije n GLN 634 Cb 0.44 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.30 3ije n GLN 634 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ije n GLY 635 N 1.42 1.31 3.94 1.08 0.00 -1.25 -4.62 105.19 107.08 3ije n GLY 635 Ca 0.01 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 3ije n GLY 635 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ije s GLU 636 N 1.67 1.52 0.06 1.61 2.02 -0.04 -4.22 118.70 121.33 3ije s GLU 636 Ca 0.00 -0.51 -0.34 0.00 0.02 0.00 0.00 54.97 54.14 3ije s GLU 636 Cb 0.00 -2.09 -0.13 0.00 0.10 0.00 0.00 34.13 32.01 3ije s GLU 636 CO 0.00 -1.71 1.71 0.41 0.02 0.00 0.00 175.26 175.69 3ije n GLY 637 N -3.21 1.28 3.57 -1.39 0.00 -1.26 -3.78 105.19 100.40 3ije n GLY 637 Ca 0.12 0.74 -0.39 0.00 0.00 0.00 0.00 46.02 46.49 3ije n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ije s ALA 638 N 2.22 3.52 0.24 4.61 0.00 -0.77 -4.67 121.76 126.91 3ije s ALA 638 Ca 0.84 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 3ije s ALA 638 Cb -0.68 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 3ije s ALA 638 CO 0.43 -0.76 0.99 0.71 0.00 0.00 0.00 175.76 177.14 3ije s TYR 639 N 1.80 3.84 -1.52 0.00 2.02 -1.24 -0.76 117.35 121.49 3ije s TYR 639 Ca 0.08 1.84 -0.10 0.00 -0.37 0.00 0.00 57.07 58.51 3ije s TYR 639 Cb -0.17 -3.09 0.07 0.00 -0.40 0.00 0.00 41.96 38.38 3ije s TYR 639 CO 0.11 0.11 0.77 0.39 -1.57 0.00 0.00 175.55 175.35 3ije n GLU 640 N 1.52 -4.34 -2.32 -0.62 1.02 0.45 -0.97 120.64 115.38 3ije n GLU 640 Ca -0.01 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.21 3ije n GLU 640 Cb 0.46 -5.13 -0.03 0.00 -0.02 0.00 0.00 31.44 26.72 3ije n GLU 640 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ije s ALA 641 N -3.50 3.47 -0.18 0.62 0.00 -1.16 -4.40 121.76 116.61 3ije s ALA 641 Ca 0.44 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 53.18 3ije s ALA 641 Cb -0.23 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.46 3ije s ALA 641 CO 0.87 -0.50 0.50 -1.83 0.00 0.00 0.00 175.76 174.80 3ije s GLU 642 N 0.96 0.61 0.08 0.00 -1.05 -0.65 -1.89 118.70 116.76 3ije s GLU 642 Ca 0.60 0.65 -0.30 0.00 -0.15 0.00 0.00 54.97 55.77 3ije s GLU 642 Cb -0.33 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.61 3ije s GLU 642 CO 0.30 -0.09 1.00 -1.17 0.95 0.00 0.00 175.26 176.26 3ije s LEU 643 N 0.14 4.44 -0.71 1.83 2.96 0.13 -2.04 118.68 125.43 3ije s LEU 643 Ca -0.01 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.72 3ije s LEU 643 Cb -0.03 -3.58 0.17 0.00 0.50 0.00 0.00 46.19 43.25 3ije s LEU 643 CO 0.01 -0.18 0.51 -0.63 -1.32 0.00 0.00 176.35 174.74 3ije s ILE 644 N 0.41 3.30 -0.65 6.68 -1.09 -0.20 -1.17 121.20 128.48 3ije s ILE 644 Ca 0.50 -3.83 -0.25 0.00 -2.23 0.00 0.00 60.65 54.84 3ije s ILE 644 Cb -0.24 -3.15 0.04 0.00 -1.58 0.00 0.00 42.46 37.54 3ije s ILE 644 CO 0.30 -0.97 1.11 0.54 -1.23 0.00 0.00 174.94 174.68 3ije s VAL 645 N -1.03 4.08 -0.48 2.92 0.11 -0.82 -2.87 120.40 122.31 3ije s VAL 645 Ca 0.23 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.27 3ije s VAL 645 Cb -0.11 -4.74 0.03 0.00 -1.53 0.00 0.00 36.38 30.02 3ije s VAL 645 CO -0.11 -1.51 0.99 -0.94 -3.33 0.00 0.00 175.10 170.20 3ije s SER 646 N 3.40 6.52 0.06 3.54 1.04 0.38 -1.20 113.70 127.44 3ije s SER 646 Ca 0.32 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.89 3ije s SER 646 Cb -0.11 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3ije s SER 646 CO 0.16 -1.13 0.25 0.27 0.98 0.00 0.00 173.24 173.78 3ije s ILE 647 N 3.98 5.33 -0.47 -1.02 -5.25 0.32 -1.88 121.20 122.21 3ije s ILE 647 Ca 0.39 -0.16 -0.28 0.00 -0.99 0.00 0.00 60.65 59.61 3ije s ILE 647 Cb -0.09 -3.60 0.01 0.00 2.95 0.00 0.00 42.46 41.73 3ije s ILE 647 CO 0.27 0.18 1.39 -2.16 -1.79 0.00 0.00 174.94 172.83 3ije s PRO 648 N -2.32 3.49 0.00 0.37 0.04 -1.25 -4.60 135.00 130.73 3ije s PRO 648 Ca 0.34 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3ije s PRO 648 Cb -0.13 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.36 3ije s PRO 648 CO 0.24 -1.69 0.37 -0.11 0.04 0.00 0.00 177.00 175.85 3ije n LEU 649 N 9.01 1.01 -0.43 -3.56 0.00 -1.26 0.13 117.00 121.90 3ije n LEU 649 Ca 0.15 -0.51 0.07 0.00 0.00 0.00 0.00 56.01 55.72 3ije n LEU 649 Cb 0.49 -0.23 0.24 0.00 0.00 0.00 0.00 43.42 43.92 3ije n LEU 649 CO 0.71 0.18 0.68 1.67 0.00 0.00 0.00 177.39 180.63 3ije n GLN 650 N 0.57 1.55 -4.19 1.96 -0.06 -1.26 -4.92 117.38 111.03 3ije n GLN 650 Ca 0.00 -0.84 -0.18 0.00 -2.00 0.00 0.00 57.00 53.98 3ije n GLN 650 Cb 0.18 -1.26 -0.12 0.00 -4.06 0.00 0.00 30.24 24.98 3ije n GLN 650 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ije s ALA 651 N -1.75 1.25 0.26 1.69 0.00 0.35 -2.17 121.76 121.39 3ije s ALA 651 Ca 0.23 -1.09 0.12 0.00 0.00 0.00 0.00 51.96 51.22 3ije s ALA 651 Cb 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 3ije s ALA 651 CO 0.17 0.14 -0.19 -0.51 0.00 0.00 0.00 175.76 175.37 3ije s ASP 652 N -1.96 3.64 -0.23 0.00 -0.00 -0.29 -4.83 116.67 113.00 3ije s ASP 652 Ca 0.01 -0.96 -0.08 0.00 -0.00 0.00 0.00 52.55 51.52 3ije s ASP 652 Cb -0.08 -0.34 -0.04 0.00 -0.00 0.00 0.00 42.92 42.46 3ije s ASP 652 CO 0.02 0.06 0.10 0.12 -0.00 0.00 0.00 175.17 175.47 3ije s PHE 653 N -2.29 3.20 -0.14 4.23 5.36 -1.26 -1.85 117.98 125.23 3ije s PHE 653 Ca 0.28 -0.05 -0.11 0.00 -0.96 0.00 0.00 56.93 56.09 3ije s PHE 653 Cb -0.06 -2.20 -0.08 0.00 -0.34 0.00 0.00 43.02 40.34 3ije s PHE 653 CO 0.14 -0.07 0.09 0.82 -1.46 0.00 0.00 175.22 174.74 3ije h ILE 654 N 5.18 0.42 0.00 3.12 2.04 -1.78 -3.49 117.51 123.00 3ije h ILE 654 Ca -0.37 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3ije h ILE 654 Cb 1.17 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3ije h ILE 654 CO 0.63 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.53 3ije n GLY 655 N 1.64 0.52 3.80 5.37 0.00 -1.22 -5.06 105.19 110.24 3ije n GLY 655 Ca -0.09 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3ije n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ije s VAL 656 N -2.00 3.88 0.05 1.61 0.11 -1.26 -1.95 120.40 120.85 3ije s VAL 656 Ca 0.00 1.13 -0.29 0.00 -2.93 0.00 0.00 61.98 59.89 3ije s VAL 656 Cb 0.00 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.34 3ije s VAL 656 CO 0.00 -0.29 0.94 0.68 -3.33 0.00 0.00 175.10 173.10 3ije s VAL 657 N -2.08 4.69 -0.41 2.04 -7.23 -0.81 -4.90 120.40 111.69 3ije s VAL 657 Ca 0.66 2.00 0.09 0.00 -1.81 0.00 0.00 61.98 62.92 3ije s VAL 657 Cb -0.15 -4.29 0.43 0.00 0.56 0.00 0.00 36.38 32.92 3ije s VAL 657 CO 0.21 0.26 1.05 -2.11 -0.31 0.00 0.00 175.10 174.20 3ije n ARG 658 N 3.26 2.75 -0.24 4.82 0.00 -1.26 -4.70 116.66 121.28 3ije n ARG 658 Ca 0.03 -4.16 0.07 0.00 -0.00 0.00 0.00 57.85 53.80 3ije n ARG 658 Cb 0.50 -1.96 0.11 0.00 -0.00 0.00 0.00 32.46 31.11 3ije n ARG 658 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3ije n ASN 659 N -0.34 1.78 -3.31 2.89 5.15 -1.26 -5.01 115.26 115.16 3ije n ASN 659 Ca 0.30 -2.91 0.03 0.00 -0.60 0.00 0.00 54.58 51.40 3ije n ASN 659 Cb 0.69 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.52 3ije n ASN 659 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3ije s ASN 660 N -2.51 -0.61 0.06 1.20 2.47 -1.26 -5.03 114.94 109.26 3ije s ASN 660 Ca 0.26 0.66 0.22 0.00 0.42 0.00 0.00 52.86 54.42 3ije s ASN 660 Cb 0.23 1.62 0.89 0.00 -1.45 0.00 0.00 41.25 42.55 3ije s ASN 660 CO 0.01 -0.12 1.69 -1.84 -3.72 0.00 0.00 177.10 173.12 3ije n GLU 661 N 5.14 0.05 0.18 0.43 0.28 -1.26 -2.76 120.64 122.70 3ije n GLU 661 Ca -0.08 0.19 0.04 0.00 -0.16 0.00 0.00 57.16 57.15 3ije n GLU 661 Cb 0.53 -1.58 0.32 0.00 1.43 0.00 0.00 31.44 32.14 3ije n GLU 661 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ije h ALA 662 N 2.63 1.07 -2.79 -1.84 0.00 -1.98 -3.44 119.26 112.91 3ije h ALA 662 Ca 0.00 -0.38 -0.65 0.00 0.00 0.00 0.00 54.91 53.88 3ije h ALA 662 Cb 0.40 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3ije h ALA 662 CO 0.00 0.52 -0.50 -0.51 0.00 0.00 0.00 179.25 178.77 3ije s LEU 663 N -7.38 4.34 0.28 0.00 1.02 -1.11 -4.85 118.68 110.97 3ije s LEU 663 Ca -0.01 0.36 -0.23 0.00 0.02 0.00 0.00 54.13 54.26 3ije s LEU 663 Cb 0.12 -2.47 -0.09 0.00 0.02 0.00 0.00 46.19 43.77 3ije s LEU 663 CO 0.70 0.30 0.85 0.00 0.02 0.00 0.00 176.35 178.22 3ije s ALA 664 N -1.25 3.29 -0.82 4.21 0.00 0.58 -4.90 121.76 122.86 3ije s ALA 664 Ca 0.24 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3ije s ALA 664 Cb -0.12 -3.04 0.22 0.00 0.00 0.00 0.00 23.12 20.18 3ije s ALA 664 CO 0.15 0.24 0.76 -0.98 0.00 0.00 0.00 175.76 175.93 3ije s ARG 665 N -2.02 3.56 0.77 0.00 1.04 -1.26 -4.40 118.95 116.64 3ije s ARG 665 Ca 0.47 -2.50 -0.12 0.00 -1.04 0.00 0.00 55.73 52.55 3ije s ARG 665 Cb -0.18 -4.39 0.05 0.00 -2.04 0.00 0.00 34.95 28.40 3ije s ARG 665 CO 0.23 -1.28 1.15 -0.51 -0.04 0.00 0.00 175.30 174.84 3ije s LEU 666 N 0.09 2.65 -0.37 -1.89 1.43 -1.26 -5.03 118.68 114.30 3ije s LEU 666 Ca 0.18 0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.06 3ije s LEU 666 Cb -0.11 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 3ije s LEU 666 CO -0.09 -1.69 0.31 -0.44 0.23 0.00 0.00 176.35 174.67 3ije s SER 667 N -4.48 6.12 0.16 2.29 0.01 -1.26 -4.89 113.70 111.64 3ije s SER 667 Ca 0.60 -0.52 0.06 0.00 1.31 0.00 0.00 55.95 57.40 3ije s SER 667 Cb -0.11 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3ije s SER 667 CO 0.50 -0.35 -0.13 0.00 0.41 0.00 0.00 173.24 173.68 3ije s ALA 669 N -2.86 -1.48 0.07 0.00 0.00 -0.77 -4.98 121.76 111.73 3ije s ALA 669 Ca 0.16 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.51 3ije s ALA 669 Cb -0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 3ije s ALA 669 CO 0.03 -0.29 0.49 0.12 0.00 0.00 0.00 175.76 176.10 3ije s PHE 670 N -0.02 3.70 0.18 0.00 5.36 -1.26 -0.48 117.98 125.46 3ije s PHE 670 Ca -0.03 1.06 -0.17 0.00 -0.96 0.00 0.00 56.93 56.84 3ije s PHE 670 Cb -0.04 -2.35 0.03 0.00 -0.34 0.00 0.00 43.02 40.32 3ije s PHE 670 CO 0.02 0.56 0.49 -1.59 -1.46 0.00 0.00 175.22 173.24 3ije s LYS 671 N -1.40 1.30 -0.35 10.12 -2.85 -0.08 -4.97 119.74 121.50 3ije s LYS 671 Ca 0.30 -0.84 0.03 0.00 -1.00 0.00 0.00 55.97 54.46 3ije s LYS 671 Cb -0.17 0.50 0.16 0.00 -2.06 0.00 0.00 37.83 36.26 3ije s LYS 671 CO 0.17 -0.54 0.40 0.99 0.10 0.00 0.00 175.35 176.47 3ije s THR 672 N -3.86 -0.46 -1.25 3.79 2.01 -1.26 -2.27 115.64 112.33 3ije s THR 672 Ca 0.08 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.31 3ije s THR 672 Cb -0.00 -0.69 0.19 0.00 0.01 0.00 0.00 72.50 72.01 3ije s THR 672 CO -0.05 -0.46 1.95 -0.62 -0.69 0.00 0.00 174.62 174.76 3ije n GLU 673 N 4.57 4.14 -2.02 4.92 1.02 -1.26 -4.79 120.64 127.22 3ije n GLU 673 Ca 0.08 -3.74 0.00 0.00 -0.02 0.00 0.00 57.16 53.48 3ije n GLU 673 Cb 0.47 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 3ije n GLU 673 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ije n ASN 674 N 2.63 -8.38 0.00 1.62 5.03 -1.26 -4.50 115.26 110.39 3ije n ASN 674 Ca 0.44 1.41 0.00 0.00 0.87 0.00 0.00 54.58 57.30 3ije n ASN 674 Cb 0.32 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.44 3ije n ASN 674 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ije n GLN 675 N 1.65 0.00 -1.32 3.52 1.13 -1.26 -4.93 117.38 116.16 3ije n GLN 675 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 3ije n GLN 675 Cb 0.00 -0.91 0.08 0.00 0.11 0.00 0.00 30.24 29.52 3ije n GLN 675 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3ije s THR 676 N 0.00 3.38 -0.45 5.09 -4.23 -1.26 -5.04 115.64 113.12 3ije s THR 676 Ca 0.00 0.46 0.06 0.00 -1.18 0.00 0.00 61.69 61.03 3ije s THR 676 Cb 0.00 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 71.05 3ije s THR 676 CO 0.00 -0.57 0.58 0.00 -0.54 0.00 0.00 174.62 174.09 3ije s ARG 677 N -4.85 0.93 0.01 3.99 1.04 -1.26 -4.44 118.95 114.36 3ije s ARG 677 Ca 0.61 -1.09 -0.09 0.00 -1.04 0.00 0.00 55.73 54.13 3ije s ARG 677 Cb -0.17 -0.39 0.01 0.00 -2.04 0.00 0.00 34.95 32.35 3ije s ARG 677 CO 0.55 -1.29 0.18 1.14 -0.04 0.00 0.00 175.30 175.83 3ije s GLN 678 N 0.99 0.55 -0.12 3.89 -2.07 -0.96 0.12 119.66 122.05 3ije s GLN 678 Ca 0.26 -0.41 -0.05 0.00 -1.82 0.00 0.00 55.36 53.34 3ije s GLN 678 Cb -0.03 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 3ije s GLN 678 CO -0.08 -0.14 0.06 0.08 -1.32 0.00 0.00 175.29 173.89 3ije s VAL 679 N -1.58 4.82 -0.19 3.63 1.01 -0.34 -0.90 120.40 126.84 3ije s VAL 679 Ca -0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 3ije s VAL 679 Cb -0.06 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.24 3ije s VAL 679 CO 0.01 0.57 -0.16 0.54 0.00 0.00 0.00 175.10 176.06 3ije s VAL 680 N -0.56 2.39 -0.05 2.92 0.11 0.37 -1.94 120.40 123.64 3ije s VAL 680 Ca 0.11 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.36 3ije s VAL 680 Cb -0.12 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 3ije s VAL 680 CO 0.02 0.50 -0.18 0.00 -3.33 0.00 0.00 175.10 172.11 3ije s ASP 682 N -0.54 7.14 -0.18 0.00 -0.00 -0.12 0.18 116.67 123.13 3ije s ASP 682 Ca 0.07 1.38 0.16 0.00 -0.00 0.00 0.00 52.55 54.16 3ije s ASP 682 Cb -0.11 -2.48 0.59 0.00 -0.00 0.00 0.00 42.92 40.91 3ije s ASP 682 CO 0.01 -0.23 1.49 0.18 -0.00 0.00 0.00 175.17 176.62 3ije n LEU 683 N 4.12 4.28 0.00 1.23 4.77 -0.79 -4.28 117.00 126.32 3ije n LEU 683 Ca 0.03 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 3ije n LEU 683 Cb 0.51 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3ije n LEU 683 CO 0.49 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 3ije n GLY 684 N -0.17 1.64 0.00 -0.72 0.00 -1.25 -4.49 105.19 100.20 3ije n GLY 684 Ca 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3ije n GLY 684 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ije n ASN 685 N -0.07 0.00 -4.53 1.61 4.05 -1.26 -2.87 115.26 112.19 3ije n ASN 685 Ca 0.00 0.78 -0.41 0.00 0.45 0.00 0.00 54.58 55.39 3ije n ASN 685 Cb 0.00 -0.46 -0.03 0.00 1.23 0.00 0.00 39.78 40.52 3ije n ASN 685 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3ije s PRO 686 N -2.15 3.21 -0.69 1.20 0.04 -1.26 0.17 135.00 135.52 3ije s PRO 686 Ca 0.00 -0.43 -0.26 0.00 0.04 0.00 0.00 61.00 60.35 3ije s PRO 686 Cb 0.00 -4.28 -0.01 0.00 0.04 0.00 0.00 34.50 30.25 3ije s PRO 686 CO 0.00 -2.09 1.75 1.41 0.04 0.00 0.00 177.00 178.11 3ije s MET 687 N 5.33 2.76 1.11 4.56 1.75 0.06 -4.86 119.30 130.00 3ije s MET 687 Ca 0.33 0.26 -0.12 0.00 -1.25 0.00 0.00 55.69 54.92 3ije s MET 687 Cb -0.09 -4.48 0.25 0.00 2.84 0.00 0.00 34.83 33.36 3ije s MET 687 CO 0.12 -2.69 1.06 0.15 -0.65 0.00 0.00 175.02 173.00 3ije s LYS 688 N 6.72 -0.51 0.41 4.11 -0.14 -1.26 -1.84 119.74 127.23 3ije s LYS 688 Ca 0.61 1.07 -0.26 0.00 -1.36 0.00 0.00 55.97 56.03 3ije s LYS 688 Cb -0.10 -1.58 -0.09 0.00 -1.68 0.00 0.00 37.83 34.37 3ije s LYS 688 CO 0.16 -3.52 1.35 0.00 -0.76 0.00 0.00 175.35 172.58 3ije s ALA 689 N -2.48 3.28 0.00 5.17 0.00 -1.26 -2.92 121.76 123.56 3ije s ALA 689 Ca 0.68 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3ije s ALA 689 Cb -0.25 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3ije s ALA 689 CO 0.63 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3ije n GLY 690 N 0.63 0.29 3.55 0.00 0.00 0.32 -4.93 105.19 105.05 3ije n GLY 690 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3ije n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ije s THR 691 N -1.78 3.79 0.00 2.61 -4.23 -1.15 -4.85 115.64 110.04 3ije s THR 691 Ca 0.00 0.14 -0.22 0.00 -1.18 0.00 0.00 61.69 60.43 3ije s THR 691 Cb 0.00 -4.94 -0.05 0.00 1.34 0.00 0.00 72.50 68.85 3ije s THR 691 CO 0.00 -1.86 0.63 -1.10 -0.54 0.00 0.00 174.62 171.75 3ije s GLN 692 N 5.51 4.36 0.08 3.99 -0.21 -1.26 -3.39 119.66 128.73 3ije s GLN 692 Ca 0.37 0.81 0.09 0.00 0.02 0.00 0.00 55.36 56.65 3ije s GLN 692 Cb -0.07 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.56 3ije s GLN 692 CO 0.10 0.34 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.85 3ije s LEU 693 N -0.14 2.23 -0.09 2.90 1.02 0.71 -4.99 118.68 120.31 3ije s LEU 693 Ca 0.33 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.86 3ije s LEU 693 Cb -0.19 -1.18 0.01 0.00 0.02 0.00 0.00 46.19 44.85 3ije s LEU 693 CO 0.18 0.20 -0.16 -0.22 0.02 0.00 0.00 176.35 176.38 3ije s LEU 694 N -1.55 1.77 -0.01 1.79 2.96 -1.26 -1.85 118.68 120.52 3ije s LEU 694 Ca 0.11 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3ije s LEU 694 Cb -0.10 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.53 3ije s LEU 694 CO 0.03 0.05 0.15 0.00 -1.32 0.00 0.00 176.35 175.26 3ije s ALA 695 N 0.76 -0.35 -0.14 5.97 0.00 -0.44 0.21 121.76 127.77 3ije s ALA 695 Ca -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3ije s ALA 695 Cb -0.16 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3ije s ALA 695 CO 0.02 -0.17 -0.11 0.20 0.00 0.00 0.00 175.76 175.70 3ije s GLY 696 N -0.99 1.57 -0.25 0.00 0.00 -1.26 0.23 107.32 106.63 3ije s GLY 696 Ca -0.11 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 43.74 3ije s GLY 696 CO 0.01 -0.13 -0.12 1.08 0.00 0.00 0.00 173.10 173.94 3ije s LEU 697 N 0.42 3.25 0.05 0.66 1.43 -0.99 -1.93 118.68 121.56 3ije s LEU 697 Ca -0.09 -1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 51.60 3ije s LEU 697 Cb -0.16 -1.54 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3ije s LEU 697 CO 0.05 -0.16 0.44 0.00 0.23 0.00 0.00 176.35 176.91 3ije s ARG 698 N 1.14 3.91 0.35 1.70 1.70 -0.82 -2.57 118.95 124.35 3ije s ARG 698 Ca -0.07 0.39 0.04 0.00 -0.47 0.00 0.00 55.73 55.62 3ije s ARG 698 Cb -0.19 -3.12 -0.03 0.00 -0.57 0.00 0.00 34.95 31.04 3ije s ARG 698 CO -0.06 0.62 0.17 -0.06 -1.08 0.00 0.00 175.30 174.89 3ije s PHE 699 N -1.23 1.71 -0.04 5.89 0.40 0.11 -2.26 117.98 122.56 3ije s PHE 699 Ca 0.29 -1.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.22 3ije s PHE 699 Cb -0.16 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.45 3ije s PHE 699 CO 0.16 -0.48 0.06 0.45 0.70 0.00 0.00 175.22 176.11 3ije s SER 700 N -3.46 0.73 -0.20 1.36 0.15 -0.77 -1.92 113.70 109.58 3ije s SER 700 Ca 0.32 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 57.01 3ije s SER 700 Cb 0.04 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 3ije s SER 700 CO 0.18 -0.21 0.04 0.54 1.20 0.00 0.00 173.24 174.99 3ije s VAL 701 N 1.81 4.36 -0.06 4.45 0.11 -0.93 -1.13 120.40 129.00 3ije s VAL 701 Ca -0.00 -0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 3ije s VAL 701 Cb -0.12 -2.98 -0.28 0.00 -1.53 0.00 0.00 36.38 31.47 3ije s VAL 701 CO -0.03 0.42 0.60 0.45 -3.33 0.00 0.00 175.10 173.21 3ije h HIS 702 N 7.36 0.51 0.00 1.54 3.86 -1.68 -2.41 115.15 124.33 3ije h HIS 702 Ca -0.36 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.48 3ije h HIS 702 Cb 1.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.63 3ije h HIS 702 CO 0.60 1.59 0.00 0.94 0.86 0.00 0.00 177.93 181.92 3ije n GLN 703 N -3.47 0.00 0.09 2.45 -0.06 -1.25 -4.08 117.38 111.07 3ije n GLN 703 Ca -0.25 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 54.79 3ije n GLN 703 Cb 1.06 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 27.22 3ije n GLN 703 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 3ije h GLN 704 N 0.00 0.00 -7.14 3.69 4.15 -1.89 -3.25 115.11 110.67 3ije h GLN 704 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.96 3ije h GLN 704 Cb 0.00 0.00 0.06 0.00 0.21 0.00 0.00 27.48 27.75 3ije h GLN 704 CO 0.00 0.26 0.15 0.45 -1.93 0.00 0.00 178.83 177.76 3ije s SER 705 N -5.93 5.13 -0.64 -0.69 0.15 -1.26 -4.25 113.70 106.21 3ije s SER 705 Ca 0.00 0.41 -0.04 0.00 0.70 0.00 0.00 55.95 57.03 3ije s SER 705 Cb 0.08 -1.21 0.12 0.00 -1.71 0.00 0.00 66.02 63.30 3ije s SER 705 CO 0.78 -1.34 2.58 -0.62 1.20 0.00 0.00 173.24 175.83 3ije n GLU 706 N -2.69 2.82 0.00 5.44 4.71 -1.26 -4.89 120.64 124.77 3ije n GLU 706 Ca 0.07 -2.74 0.00 0.00 -0.01 0.00 0.00 57.16 54.48 3ije n GLU 706 Cb 0.60 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.79 3ije n GLU 706 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3ije n MET 707 N 0.72 0.89 -1.23 3.49 2.81 -1.26 -4.98 117.12 117.56 3ije n MET 707 Ca 0.51 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 56.09 3ije n MET 707 Cb 0.46 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.07 3ije n MET 707 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3ije s ASP 708 N -1.25 4.25 0.59 7.83 3.68 -1.26 -4.92 116.67 125.59 3ije s ASP 708 Ca 0.00 1.96 0.29 0.00 2.13 0.00 0.00 52.55 56.93 3ije s ASP 708 Cb 0.00 -2.54 1.80 0.00 -1.45 0.00 0.00 42.92 40.73 3ije s ASP 708 CO 0.00 -2.21 2.25 0.00 0.13 0.00 0.00 175.17 175.34 3ije h THR 709 N -1.06 0.54 -4.22 1.71 1.03 -1.94 -3.45 112.91 105.52 3ije h THR 709 Ca -0.44 -0.01 -0.37 0.00 -0.01 0.00 0.00 66.41 65.57 3ije h THR 709 Cb 1.24 1.01 -0.10 0.00 -1.07 0.00 0.00 68.15 69.24 3ije h THR 709 CO 0.50 0.00 -0.36 -1.54 -0.01 0.00 0.00 175.52 174.11 3ije n SER 710 N -3.86 -0.50 -4.06 0.00 3.41 -1.26 -2.86 113.62 104.48 3ije n SER 710 Ca -0.03 -2.70 -0.23 0.00 -0.26 0.00 0.00 58.87 55.65 3ije n SER 710 Cb 0.09 1.28 -0.16 0.00 -0.26 0.00 0.00 64.21 65.16 3ije n SER 710 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ije s VAL 711 N -3.04 1.07 -0.12 -3.33 0.11 -0.61 -4.90 120.40 109.59 3ije s VAL 711 Ca 0.31 -0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 58.83 3ije s VAL 711 Cb 0.01 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 3ije s VAL 711 CO 0.22 0.32 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.44 3ije s LYS 712 N 0.09 3.25 -0.11 1.54 2.36 -1.26 -1.57 119.74 124.04 3ije s LYS 712 Ca -0.03 -0.64 0.01 0.00 -2.55 0.00 0.00 55.97 52.76 3ije s LYS 712 Cb -0.10 -2.64 -0.02 0.00 -1.05 0.00 0.00 37.83 34.03 3ije s LYS 712 CO 0.01 0.32 -0.13 -0.06 1.55 0.00 0.00 175.35 177.04 3ije s PHE 713 N 0.08 2.79 -0.11 4.03 0.40 -1.09 -3.81 117.98 120.27 3ije s PHE 713 Ca -0.04 -0.50 -0.00 0.00 -0.60 0.00 0.00 56.93 55.78 3ije s PHE 713 Cb -0.14 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 3ije s PHE 713 CO 0.04 -0.10 -0.10 -0.51 0.70 0.00 0.00 175.22 175.26 3ije s ASP 714 N 0.05 4.34 0.00 1.36 -0.00 -0.79 -1.14 116.67 120.49 3ije s ASP 714 Ca -0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 52.55 52.31 3ije s ASP 714 Cb -0.14 -1.44 -0.00 0.00 -0.00 0.00 0.00 42.92 41.33 3ije s ASP 714 CO 0.04 0.24 -0.01 -1.48 -0.00 0.00 0.00 175.17 173.95 3ije s LEU 715 N -0.06 2.05 -0.05 1.23 0.05 -0.77 0.14 118.68 121.27 3ije s LEU 715 Ca -0.01 -0.11 -0.21 0.00 0.05 0.00 0.00 54.13 53.85 3ije s LEU 715 Cb -0.14 -0.02 0.04 0.00 -2.05 0.00 0.00 46.19 44.03 3ije s LEU 715 CO 0.03 -0.05 0.47 0.00 -0.55 0.00 0.00 176.35 176.25 3ije s GLN 716 N -0.31 0.79 0.28 1.48 -2.07 -1.14 -1.47 119.66 117.23 3ije s GLN 716 Ca -0.03 0.10 -0.17 0.00 -1.82 0.00 0.00 55.36 53.44 3ije s GLN 716 Cb -0.02 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 3ije s GLN 716 CO -0.00 -0.22 0.74 0.42 -1.32 0.00 0.00 175.29 174.91 3ije s ILE 717 N -1.03 4.61 0.01 3.63 1.01 -1.26 -1.04 121.20 127.13 3ije s ILE 717 Ca -0.11 1.13 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 3ije s ILE 717 Cb -0.03 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.73 3ije s ILE 717 CO 0.06 -0.01 0.29 0.00 0.00 0.00 0.00 174.94 175.28 3ije s GLN 718 N -2.53 0.71 0.25 2.79 -2.07 -0.87 -1.21 119.66 116.73 3ije s GLN 718 Ca 0.49 -0.34 0.02 0.00 -1.82 0.00 0.00 55.36 53.72 3ije s GLN 718 Cb -0.13 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.06 3ije s GLN 718 CO 0.19 -0.21 0.20 -1.54 -1.32 0.00 0.00 175.29 172.61 3ije s SER 719 N -1.62 0.74 -0.25 12.60 1.04 0.11 -1.64 113.70 124.69 3ije s SER 719 Ca -0.10 -1.53 0.13 0.00 0.48 0.00 0.00 55.95 54.93 3ije s SER 719 Cb -0.04 0.45 0.80 0.00 0.10 0.00 0.00 66.02 67.34 3ije s SER 719 CO 0.01 -0.94 1.74 -1.54 0.98 0.00 0.00 173.24 173.49 3ije n SER 720 N -0.78 5.56 -4.81 7.02 3.41 -0.14 -4.83 113.62 119.05 3ije n SER 720 Ca 0.04 -2.95 -0.33 0.00 -0.26 0.00 0.00 58.87 55.36 3ije n SER 720 Cb 0.64 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 3ije n SER 720 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3ije s ASN 721 N -0.79 6.48 0.29 4.04 0.02 -1.26 -4.94 114.94 118.78 3ije s ASN 721 Ca 0.54 1.80 0.07 0.00 -1.02 0.00 0.00 52.86 54.25 3ije s ASN 721 Cb 0.41 -2.54 0.44 0.00 0.02 0.00 0.00 41.25 39.58 3ije s ASN 721 CO 0.15 -0.68 1.69 -0.07 0.02 0.00 0.00 177.10 178.21 3ije h LEU 722 N 1.45 0.23 -8.65 0.60 4.07 -1.93 -3.41 115.31 107.67 3ije h LEU 722 Ca -0.49 -0.10 -0.58 0.00 0.08 0.00 0.00 57.88 56.79 3ije h LEU 722 Cb 1.20 -0.06 -0.23 0.00 1.08 0.00 0.00 40.66 42.65 3ije h LEU 722 CO 0.60 0.64 -0.84 -0.36 -1.08 0.00 0.00 178.44 177.40 3ije s PHE 723 N -4.08 1.84 -1.61 1.13 0.40 -1.26 -4.80 117.98 109.60 3ije s PHE 723 Ca -0.04 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.75 3ije s PHE 723 Cb 0.13 -1.04 0.11 0.00 0.51 0.00 0.00 43.02 42.73 3ije s PHE 723 CO 0.77 0.17 0.73 -0.25 0.70 0.00 0.00 175.22 177.34 3ije n ASP 724 N 1.37 -2.82 -0.05 1.36 8.00 -1.26 -4.27 116.55 118.88 3ije n ASP 724 Ca -0.18 -0.98 0.14 0.00 0.71 0.00 0.00 54.79 54.48 3ije n ASP 724 Cb 0.53 -2.99 0.62 0.00 -0.02 0.00 0.00 41.12 39.27 3ije n ASP 724 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3ije n LYS 725 N -4.44 0.40 -4.21 -1.24 2.85 -1.26 -4.20 118.16 106.07 3ije n LYS 725 Ca -0.02 -0.09 -0.14 0.00 -1.05 0.00 0.00 58.31 57.01 3ije n LYS 725 Cb 0.54 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.32 3ije n LYS 725 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3ije s VAL 726 N -2.66 1.03 0.70 0.58 -7.23 -1.26 0.07 120.40 111.62 3ije s VAL 726 Ca 0.24 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.48 3ije s VAL 726 Cb 0.20 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.58 3ije s VAL 726 CO 0.50 -0.66 1.02 -0.94 -0.31 0.00 0.00 175.10 174.71 3ije s SER 727 N -2.81 5.01 0.63 4.85 1.04 -0.35 -4.55 113.70 117.52 3ije s SER 727 Ca 0.11 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 57.01 3ije s SER 727 Cb 0.00 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 3ije s SER 727 CO -0.00 -1.50 1.14 -2.84 0.98 0.00 0.00 173.24 171.02 3ije s PRO 728 N -5.25 2.84 0.31 4.02 0.02 -1.26 -4.70 135.00 130.98 3ije s PRO 728 Ca 0.59 1.57 -0.28 0.00 0.02 0.00 0.00 61.00 62.89 3ije s PRO 728 Cb -0.11 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 3ije s PRO 728 CO 0.46 -1.25 1.09 0.08 -0.33 0.00 0.00 177.00 177.06 3ije s VAL 729 N -2.04 3.52 -0.12 3.83 1.01 -1.26 -4.66 120.40 120.68 3ije s VAL 729 Ca 0.71 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 64.12 3ije s VAL 729 Cb -0.24 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.29 3ije s VAL 729 CO 0.37 0.27 -0.07 -0.69 0.00 0.00 0.00 175.10 174.98 3ije s VAL 730 N -1.28 1.06 0.72 2.92 1.01 -0.54 -4.99 120.40 119.29 3ije s VAL 730 Ca 0.48 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3ije s VAL 730 Cb -0.30 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.01 3ije s VAL 730 CO 0.38 0.33 1.10 -0.44 0.00 0.00 0.00 175.10 176.47 3ije s SER 731 N 1.69 5.25 -0.29 3.32 0.01 -1.26 -1.85 113.70 120.57 3ije s SER 731 Ca 0.04 1.02 0.03 0.00 1.31 0.00 0.00 55.95 58.35 3ije s SER 731 Cb -0.13 -1.76 0.18 0.00 0.21 0.00 0.00 66.02 64.52 3ije s SER 731 CO -0.08 -1.44 0.49 -2.28 0.41 0.00 0.00 173.24 170.34 3ije s HIS 732 N -3.38 -1.39 0.65 2.43 2.46 -0.30 -4.96 115.29 110.81 3ije s HIS 732 Ca 0.59 0.76 -0.17 0.00 0.47 0.00 0.00 55.06 56.71 3ije s HIS 732 Cb -0.11 0.10 -0.00 0.00 -0.13 0.00 0.00 32.58 32.43 3ije s HIS 732 CO 0.51 -1.01 1.17 -1.59 -2.47 0.00 0.00 174.74 171.35 3ije s LYS 733 N 2.68 2.68 -0.03 2.88 -2.85 -1.26 -2.68 119.74 121.16 3ije s LYS 733 Ca 0.11 1.66 -0.01 0.00 -1.00 0.00 0.00 55.97 56.73 3ije s LYS 733 Cb -0.12 -1.91 0.03 0.00 -2.06 0.00 0.00 37.83 33.77 3ije s LYS 733 CO -0.27 -1.39 0.04 0.08 0.10 0.00 0.00 175.35 173.90 3ije s VAL 734 N -1.95 -0.02 -0.12 1.79 1.01 -0.61 -4.97 120.40 115.53 3ije s VAL 734 Ca 0.73 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 3ije s VAL 734 Cb -0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 3ije s VAL 734 CO 0.39 0.14 1.07 -1.81 0.00 0.00 0.00 175.10 174.90 3ije s ASP 735 N 1.57 7.16 0.08 3.32 -0.00 -1.22 -1.58 116.67 125.99 3ije s ASP 735 Ca -0.03 1.58 -0.30 0.00 -0.00 0.00 0.00 52.55 53.80 3ije s ASP 735 Cb -0.13 -2.55 -0.05 0.00 -0.00 0.00 0.00 42.92 40.19 3ije s ASP 735 CO -0.03 -0.54 1.10 -0.76 -0.00 0.00 0.00 175.17 174.94 3ije s LEU 736 N 2.36 4.41 0.30 1.23 1.43 -1.14 -0.82 118.68 126.46 3ije s LEU 736 Ca 0.50 1.92 0.11 0.00 -1.03 0.00 0.00 54.13 55.63 3ije s LEU 736 Cb -0.19 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 3ije s LEU 736 CO 0.16 -0.31 -0.13 0.00 0.23 0.00 0.00 176.35 176.30 3ije s ALA 737 N 0.61 2.90 -0.16 4.21 0.00 0.28 -4.87 121.76 124.74 3ije s ALA 737 Ca 0.53 -1.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 3ije s ALA 737 Cb -0.27 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3ije s ALA 737 CO 0.30 0.20 0.02 0.08 0.00 0.00 0.00 175.76 176.37 3ije s VAL 738 N -2.51 4.47 -0.11 0.00 1.01 -1.26 -0.77 120.40 121.22 3ije s VAL 738 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3ije s VAL 738 Cb -0.03 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3ije s VAL 738 CO 0.16 0.49 0.22 -0.22 0.00 0.00 0.00 175.10 175.76 3ije s LEU 739 N 0.17 -0.04 -0.45 3.92 2.96 -1.26 -4.98 118.68 119.00 3ije s LEU 739 Ca 0.02 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3ije s LEU 739 Cb -0.13 0.57 0.16 0.00 0.50 0.00 0.00 46.19 47.29 3ije s LEU 739 CO 0.01 -0.22 0.34 0.00 -1.32 0.00 0.00 176.35 175.16 3ije s ALA 740 N 2.09 1.77 -0.78 5.97 0.00 -1.26 -0.65 121.76 128.90 3ije s ALA 740 Ca -0.01 -2.60 -0.19 0.00 0.00 0.00 0.00 51.96 49.16 3ije s ALA 740 Cb -0.12 -1.71 -0.17 0.00 0.00 0.00 0.00 23.12 21.12 3ije s ALA 740 CO -0.08 -2.02 1.81 0.00 0.00 0.00 0.00 175.76 175.47 3ije n ALA 741 N 2.93 0.27 -2.44 0.00 0.00 -1.26 -4.66 120.51 115.35 3ije n ALA 741 Ca 0.24 -1.89 -0.39 0.00 0.00 0.00 0.00 53.44 51.41 3ije n ALA 741 Cb 0.43 -2.55 -0.06 0.00 0.00 0.00 0.00 19.45 17.27 3ije n ALA 741 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ije s VAL 742 N 12.66 4.90 0.05 0.00 1.01 -1.26 -1.62 120.40 136.14 3ije s VAL 742 Ca 0.59 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.76 3ije s VAL 742 Cb -0.04 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ije s VAL 742 CO 0.14 0.47 -0.10 -1.83 0.00 0.00 0.00 175.10 173.78 3ije s GLU 743 N -0.53 0.63 -0.01 2.72 -1.05 0.04 -4.98 118.70 115.52 3ije s GLU 743 Ca 0.29 -0.82 0.05 0.00 -0.15 0.00 0.00 54.97 54.34 3ije s GLU 743 Cb -0.18 -0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.00 3ije s GLU 743 CO 0.17 0.10 -0.16 -1.50 0.95 0.00 0.00 175.26 174.81 3ije s ILE 744 N -1.32 2.93 0.04 1.83 2.07 -1.26 -0.21 121.20 125.28 3ije s ILE 744 Ca -0.07 -0.91 -0.17 0.00 -1.41 0.00 0.00 60.65 58.09 3ije s ILE 744 Cb -0.10 -2.17 0.03 0.00 0.13 0.00 0.00 42.46 40.35 3ije s ILE 744 CO 0.01 0.49 0.40 0.00 -1.91 0.00 0.00 174.94 173.93 3ije s ARG 745 N -1.00 0.90 0.28 3.50 1.70 -0.07 -4.71 118.95 119.57 3ije s ARG 745 Ca 0.13 -0.38 -0.03 0.00 -0.47 0.00 0.00 55.73 54.98 3ije s ARG 745 Cb -0.11 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3ije s ARG 745 CO 0.02 -0.31 0.35 0.20 -1.08 0.00 0.00 175.30 174.48 3ije s GLY 746 N -2.01 1.42 0.06 3.88 0.00 -1.26 -0.56 107.32 108.84 3ije s GLY 746 Ca -0.05 -1.53 -0.27 0.00 0.00 0.00 0.00 44.72 42.88 3ije s GLY 746 CO -0.02 -1.11 0.67 0.54 0.00 0.00 0.00 173.10 173.18 3ije s VAL 747 N -3.63 0.00 -0.25 1.40 0.11 -0.56 -4.93 120.40 112.54 3ije s VAL 747 Ca 0.33 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 3ije s VAL 747 Cb 0.02 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.93 3ije s VAL 747 CO 0.17 0.00 -0.09 -0.55 -3.33 0.00 0.00 175.10 171.30 3ije s SER 748 N -2.13 4.25 0.15 3.54 0.15 -1.26 -1.91 113.70 116.50 3ije s SER 748 Ca -0.03 -1.33 -0.17 0.00 0.70 0.00 0.00 55.95 55.13 3ije s SER 748 Cb -0.01 -1.43 0.06 0.00 -1.71 0.00 0.00 66.02 62.93 3ije s SER 748 CO -0.04 -0.20 1.73 0.28 1.20 0.00 0.00 173.24 176.20 3ije h SER 749 N 7.83 0.01 -2.72 5.45 0.02 -1.59 -1.02 113.55 121.53 3ije h SER 749 Ca -0.19 0.05 -0.66 0.00 -0.84 0.00 0.00 61.79 60.15 3ije h SER 749 Cb 1.05 0.07 -0.17 0.00 0.14 0.00 0.00 62.40 63.50 3ije h SER 749 CO 0.45 0.04 0.43 -2.16 -1.14 0.00 0.00 176.83 174.45 3ije s PRO 750 N -6.17 3.15 0.49 3.45 0.04 -1.26 -4.87 135.00 129.82 3ije s PRO 750 Ca -0.13 -1.12 0.33 0.00 0.04 0.00 0.00 61.00 60.12 3ije s PRO 750 Cb 0.12 -4.32 1.54 0.00 0.04 0.00 0.00 34.50 31.88 3ije s PRO 750 CO 0.71 -1.72 1.98 0.38 0.04 0.00 0.00 177.00 178.39 3ije h ASP 751 N 9.34 0.00 -5.00 6.66 3.04 -1.48 -3.44 116.42 125.53 3ije h ASP 751 Ca -0.24 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.35 3ije h ASP 751 Cb 1.07 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 39.21 3ije h ASP 751 CO 1.14 0.00 -0.67 -1.38 -2.04 0.00 0.00 179.24 176.30 3ije s HIS 752 N -3.70 0.89 -0.15 4.15 -3.43 -1.26 -1.89 115.29 109.89 3ije s HIS 752 Ca -0.00 -1.09 -0.04 0.00 -0.80 0.00 0.00 55.06 53.13 3ije s HIS 752 Cb 0.10 -0.53 0.07 0.00 -1.43 0.00 0.00 32.58 30.79 3ije s HIS 752 CO 0.43 -0.35 0.18 0.08 -2.00 0.00 0.00 174.74 173.08 3ije s VAL 753 N -3.84 -0.27 -0.06 -5.38 1.01 -0.59 -4.91 120.40 106.35 3ije s VAL 753 Ca 0.18 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 3ije s VAL 753 Cb 0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3ije s VAL 753 CO -0.01 -0.08 0.87 -0.36 0.00 0.00 0.00 175.10 175.51 3ije s PHE 754 N 2.29 3.58 -0.79 5.22 0.40 -1.26 -2.33 117.98 125.08 3ije s PHE 754 Ca 0.05 1.46 0.26 0.00 -0.60 0.00 0.00 56.93 58.10 3ije s PHE 754 Cb -0.14 -3.01 0.77 0.00 0.51 0.00 0.00 43.02 41.15 3ije s PHE 754 CO -0.09 -0.04 1.67 1.28 0.70 0.00 0.00 175.22 178.74 3ije n LEU 755 N 4.21 0.59 -4.55 -0.37 4.77 0.44 -4.28 117.00 117.82 3ije n LEU 755 Ca 0.04 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 3ije n LEU 755 Cb 0.50 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3ije n LEU 755 CO 0.50 -0.09 1.10 -2.65 -1.33 0.00 0.00 177.39 174.92 3ije n PRO 756 N -2.00 0.17 -2.78 3.23 -0.02 -1.26 -4.85 135.00 127.50 3ije n PRO 756 Ca 0.05 -1.47 -0.43 0.00 -2.02 0.00 0.00 63.50 59.64 3ije n PRO 756 Cb 0.41 -3.77 -0.04 0.00 -0.02 0.00 0.00 33.50 30.08 3ije n PRO 756 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3ije s ILE 757 N 16.24 4.41 0.43 4.25 1.10 -1.26 -4.98 121.20 141.39 3ije s ILE 757 Ca 0.81 0.82 -0.25 0.00 -0.51 0.00 0.00 60.65 61.52 3ije s ILE 757 Cb -0.07 -4.48 -0.08 0.00 0.15 0.00 0.00 42.46 37.98 3ije s ILE 757 CO 0.17 -0.89 1.28 -2.84 -2.11 0.00 0.00 174.94 170.55 3ije s PRO 758 N 3.91 3.86 -1.38 3.50 0.02 -1.26 -3.46 135.00 140.18 3ije s PRO 758 Ca 0.39 2.09 -0.02 0.00 0.02 0.00 0.00 61.00 63.48 3ije s PRO 758 Cb -0.10 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.79 3ije s PRO 758 CO 0.27 -0.56 0.61 0.09 -0.33 0.00 0.00 177.00 177.08 3ije n ASN 759 N -0.08 -1.19 -4.37 2.53 3.02 -1.26 -4.98 115.26 108.93 3ije n ASN 759 Ca 0.05 -0.90 -0.31 0.00 -0.03 0.00 0.00 54.58 53.39 3ije n ASN 759 Cb 0.45 -3.58 -0.15 0.00 -0.61 0.00 0.00 39.78 35.89 3ije n ASN 759 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3ije s TRP 760 N -3.75 2.43 0.09 3.10 -0.00 -1.22 -5.05 118.94 114.54 3ije s TRP 760 Ca 0.09 -0.36 -0.17 0.00 -0.00 0.00 0.00 56.10 55.66 3ije s TRP 760 Cb -0.04 -1.49 0.04 0.00 -0.00 0.00 0.00 33.47 31.97 3ije s TRP 760 CO 0.85 0.08 0.40 -1.83 -0.00 0.00 0.00 176.95 176.45 3ije s GLU 761 N -0.90 1.00 0.24 5.86 -1.05 -1.26 -5.09 118.70 117.50 3ije s GLU 761 Ca 0.11 -0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 3ije s GLU 761 Cb -0.10 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 33.94 3ije s GLU 761 CO 0.01 -0.37 1.29 -1.58 0.95 0.00 0.00 175.26 175.56 3ije s HIS 762 N -3.19 3.24 -0.11 4.83 5.65 -1.26 -5.00 115.29 119.45 3ije s HIS 762 Ca -0.01 1.31 0.02 0.00 0.25 0.00 0.00 55.06 56.63 3ije s HIS 762 Cb 0.01 -3.59 0.01 0.00 -1.18 0.00 0.00 32.58 27.82 3ije s HIS 762 CO -0.08 -1.76 -0.18 0.15 -0.65 0.00 0.00 174.74 172.22 3ije s LYS 763 N -0.64 2.52 0.07 2.88 -0.14 -1.26 -5.06 119.74 118.11 3ije s LYS 763 Ca 0.54 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 54.16 3ije s LYS 763 Cb -0.37 -2.05 -0.15 0.00 -1.68 0.00 0.00 37.83 33.59 3ije s LYS 763 CO 0.42 0.01 1.47 1.49 -0.76 0.00 0.00 175.35 177.98 3ije h GLU 764 N 7.20 -0.85 -4.16 1.68 4.22 -2.00 -3.34 114.58 117.32 3ije h GLU 764 Ca -0.29 0.06 -0.65 0.00 0.08 0.00 0.00 59.36 58.56 3ije h GLU 764 Cb 1.19 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 30.23 3ije h GLU 764 CO 0.50 -0.57 -0.69 -0.80 -2.18 0.00 0.00 179.01 175.27 3ije s ASN 765 N -3.99 4.55 0.49 1.04 -0.87 -1.26 -5.11 114.94 109.79 3ije s ASN 765 Ca -0.15 -2.43 -0.18 0.00 -1.57 0.00 0.00 52.86 48.54 3ije s ASN 765 Cb 0.03 -1.58 -0.09 0.00 -0.02 0.00 0.00 41.25 39.60 3ije s ASN 765 CO 0.50 -0.33 0.97 -2.16 -2.57 0.00 0.00 177.10 173.51 3ije s PRO 766 N 0.53 4.02 0.38 -0.60 0.04 -1.26 -5.09 135.00 133.02 3ije s PRO 766 Ca 0.13 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.20 3ije s PRO 766 Cb -0.21 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 3ije s PRO 766 CO -0.06 -0.19 0.04 -1.21 0.04 0.00 0.00 177.00 175.62 3ije s GLU 767 N -3.81 1.84 0.41 4.56 2.02 -1.26 -4.89 118.70 117.57 3ije s GLU 767 Ca 0.59 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 53.53 3ije s GLU 767 Cb -0.10 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 32.94 3ije s GLU 767 CO 0.26 -0.17 0.00 0.25 0.02 0.00 0.00 175.26 175.62 3ije n THR 768 N -0.86 -0.95 0.04 3.63 -2.24 -1.26 -4.11 114.28 108.53 3ije n THR 768 Ca -0.05 0.72 -0.15 0.00 -2.27 0.00 0.00 64.05 62.30 3ije n THR 768 Cb 0.67 -1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 3ije n THR 768 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ije h GLU 769 N -0.70 0.53 -0.86 -0.78 5.08 -1.91 -3.25 114.58 112.71 3ije h GLU 769 Ca -0.10 -0.52 0.13 0.00 -1.00 0.00 0.00 59.36 57.87 3ije h GLU 769 Cb 0.86 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 3ije h GLU 769 CO 0.04 1.15 0.46 1.49 -1.00 0.00 0.00 179.01 181.15 3ije h GLU 770 N 0.32 0.67 0.00 2.33 4.57 -1.85 -1.75 114.58 118.88 3ije h GLU 770 Ca -0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3ije h GLU 770 Cb 1.53 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 3ije h GLU 770 CO 0.17 0.44 0.00 -0.44 -1.18 0.00 0.00 179.01 178.00 3ije h ASP 771 N 0.69 0.00 0.01 1.04 3.45 -1.71 -3.32 116.42 116.58 3ije h ASP 771 Ca 0.45 0.00 -0.40 0.00 0.43 0.00 0.00 57.03 57.51 3ije h ASP 771 Cb 0.58 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.30 3ije h ASP 771 CO -0.33 0.00 -2.28 0.52 -1.57 0.00 0.00 179.24 175.58 3ije n VAL 772 N -2.66 1.54 -0.75 -1.35 0.31 -0.82 -4.77 118.33 109.83 3ije n VAL 772 Ca 0.03 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3ije n VAL 772 Cb 0.37 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 3ije n VAL 772 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ije n GLY 773 N 1.63 -1.67 3.78 2.92 0.00 -0.72 -2.75 105.19 108.37 3ije n GLY 773 Ca -0.47 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 3ije n GLY 773 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ije s PRO 774 N -1.81 3.05 0.16 1.61 0.04 -1.26 -4.52 135.00 132.26 3ije s PRO 774 Ca 0.00 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 3ije s PRO 774 Cb 0.00 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 3ije s PRO 774 CO 0.00 -1.06 1.08 0.08 0.04 0.00 0.00 177.00 177.14 3ije s VAL 775 N -2.21 3.98 -0.23 -0.36 1.01 -1.26 -1.88 120.40 119.44 3ije s VAL 775 Ca 0.68 1.68 0.01 0.00 0.00 0.00 0.00 61.98 64.35 3ije s VAL 775 Cb -0.20 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3ije s VAL 775 CO 0.37 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.96 3ije s VAL 776 N -0.14 1.76 -0.08 2.92 1.01 0.33 -4.80 120.40 121.40 3ije s VAL 776 Ca 0.49 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3ije s VAL 776 Cb -0.28 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3ije s VAL 776 CO 0.34 0.04 0.61 -1.58 0.00 0.00 0.00 175.10 174.51 3ije s GLN 777 N 1.31 4.39 -0.38 2.72 2.00 -1.26 -1.43 119.66 127.01 3ije s GLN 777 Ca -0.05 0.71 0.03 0.00 -2.00 0.00 0.00 55.36 54.06 3ije s GLN 777 Cb -0.18 -3.43 0.11 0.00 0.80 0.00 0.00 33.01 30.31 3ije s GLN 777 CO -0.07 0.14 0.11 -1.01 -0.50 0.00 0.00 175.29 173.96 3ije s HIS 778 N 0.60 3.35 -0.09 1.67 3.76 -0.34 -1.32 115.29 122.92 3ije s HIS 778 Ca 0.33 -2.89 -0.23 0.00 -0.15 0.00 0.00 55.06 52.12 3ije s HIS 778 Cb -0.17 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.75 3ije s HIS 778 CO 0.15 -0.89 0.69 0.42 -0.85 0.00 0.00 174.74 174.26 3ije s ILE 779 N 0.70 5.04 -0.07 0.60 1.09 -0.80 -2.04 121.20 125.72 3ije s ILE 779 Ca 0.12 1.40 0.05 0.00 -1.10 0.00 0.00 60.65 61.12 3ije s ILE 779 Cb -0.21 -4.03 -0.01 0.00 -1.06 0.00 0.00 42.46 37.15 3ije s ILE 779 CO -0.08 0.23 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.47 3ije s TYR 780 N 0.99 2.56 -0.09 3.97 1.51 0.38 -1.49 117.35 125.17 3ije s TYR 780 Ca 0.36 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 3ije s TYR 780 Cb -0.17 -1.65 0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3ije s TYR 780 CO 0.16 -0.12 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.44 3ije s GLU 781 N -0.21 1.05 -0.23 -0.62 2.12 0.27 -0.23 118.70 120.86 3ije s GLU 781 Ca -0.01 -0.07 -0.08 0.00 0.36 0.00 0.00 54.97 55.16 3ije s GLU 781 Cb -0.13 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 32.95 3ije s GLU 781 CO 0.03 -0.28 0.10 -1.17 -0.54 0.00 0.00 175.26 173.40 3ije s LEU 782 N 1.84 3.79 -0.04 2.70 2.96 -0.16 -0.89 118.68 128.88 3ije s LEU 782 Ca 0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3ije s LEU 782 Cb -0.12 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3ije s LEU 782 CO -0.07 0.06 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.34 3ije s ARG 783 N 1.06 1.17 -0.55 1.98 3.52 0.70 -0.81 118.95 126.04 3ije s ARG 783 Ca 0.05 -0.28 -0.20 0.00 -0.13 0.00 0.00 55.73 55.17 3ije s ARG 783 Cb -0.14 -1.05 0.07 0.00 -1.56 0.00 0.00 34.95 32.27 3ije s ARG 783 CO 0.04 0.03 0.70 1.21 -0.81 0.00 0.00 175.30 176.47 3ije s ASN 784 N 0.57 6.22 -0.03 -2.12 3.04 -0.29 -0.78 114.94 121.54 3ije s ASN 784 Ca -0.10 -1.02 -0.17 0.00 0.04 0.00 0.00 52.86 51.61 3ije s ASN 784 Cb -0.13 -2.32 -0.32 0.00 -1.54 0.00 0.00 41.25 36.94 3ije s ASN 784 CO 0.02 -1.03 0.83 0.78 -3.04 0.00 0.00 177.10 174.65 3ije h ASN 785 N 9.12 0.61 -3.50 -4.21 2.35 -1.59 0.36 115.58 118.72 3ije h ASN 785 Ca -0.28 -0.92 -0.56 0.00 -0.55 0.00 0.00 56.30 53.99 3ije h ASN 785 Cb 1.09 -0.20 0.18 0.00 0.05 0.00 0.00 38.32 39.44 3ije h ASN 785 CO 1.03 1.61 -0.15 0.61 -1.65 0.00 0.00 177.43 178.89 3ije n GLY 786 N 1.73 -0.98 0.18 2.83 0.00 -1.09 -4.10 105.19 103.76 3ije n GLY 786 Ca -0.19 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3ije n GLY 786 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ije h PRO 787 N -0.34 0.53 -7.00 1.61 0.13 -1.79 -3.38 132.00 121.75 3ije h PRO 787 Ca -0.46 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 3ije h PRO 787 Cb 1.34 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3ije h PRO 787 CO 0.45 0.35 0.36 -1.12 -0.23 0.00 0.00 178.00 177.80 3ije s SER 788 N -5.55 6.96 0.50 1.44 0.01 0.18 -4.33 113.70 112.91 3ije s SER 788 Ca -0.13 1.81 0.01 0.00 1.31 0.00 0.00 55.95 58.95 3ije s SER 788 Cb 0.11 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.80 3ije s SER 788 CO 0.73 -0.35 0.72 -0.94 0.41 0.00 0.00 173.24 173.81 3ije s SER 789 N -1.91 5.53 0.17 2.44 1.04 -1.26 -4.33 113.70 115.39 3ije s SER 789 Ca 0.59 0.09 0.09 0.00 0.48 0.00 0.00 55.95 57.20 3ije s SER 789 Cb -0.14 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 3ije s SER 789 CO 0.19 -0.94 -0.20 0.72 0.98 0.00 0.00 173.24 173.99 3ije s PHE 790 N -2.65 1.96 -0.11 5.02 -0.12 -0.92 -4.60 117.98 116.56 3ije s PHE 790 Ca 0.53 -0.43 0.18 0.00 -0.05 0.00 0.00 56.93 57.16 3ije s PHE 790 Cb -0.10 -0.97 -0.27 0.00 -0.63 0.00 0.00 43.02 41.05 3ije s PHE 790 CO 0.38 0.38 0.24 -1.13 -0.05 0.00 0.00 175.22 175.04 3ije n SER 791 N 0.28 0.44 -3.75 1.98 3.41 -0.74 -1.86 113.62 113.39 3ije n SER 791 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.35 3ije n SER 791 Cb 0.57 1.41 -0.09 0.00 -0.26 0.00 0.00 64.21 65.84 3ije n SER 791 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ije s LYS 792 N -2.89 0.61 0.19 4.33 1.02 -1.17 -2.45 119.74 119.38 3ije s LYS 792 Ca -0.08 0.01 -0.15 0.00 0.02 0.00 0.00 55.97 55.77 3ije s LYS 792 Cb 0.09 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.69 3ije s LYS 792 CO 0.79 -0.15 0.45 0.00 -0.92 0.00 0.00 175.35 175.52 3ije s ALA 793 N -0.91 -0.65 -0.06 5.17 0.00 -0.70 -1.97 121.76 122.64 3ije s ALA 793 Ca -0.10 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3ije s ALA 793 Cb -0.04 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 3ije s ALA 793 CO 0.03 -0.76 -0.20 -1.64 0.00 0.00 0.00 175.76 173.20 3ije s MET 794 N -3.90 2.17 -0.09 0.00 -1.94 0.07 -0.52 119.30 115.08 3ije s MET 794 Ca 0.12 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 3ije s MET 794 Cb 0.00 -1.81 -0.01 0.00 2.01 0.00 0.00 34.83 35.03 3ije s MET 794 CO -0.02 0.24 -0.22 -1.17 -0.01 0.00 0.00 175.02 173.85 3ije s LEU 795 N 0.11 2.23 -0.19 -0.03 2.96 0.11 -1.03 118.68 122.84 3ije s LEU 795 Ca -0.07 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3ije s LEU 795 Cb -0.14 -1.44 0.04 0.00 0.50 0.00 0.00 46.19 45.15 3ije s LEU 795 CO 0.04 0.20 -0.09 -1.00 -1.32 0.00 0.00 176.35 174.18 3ije s HIS 796 N 0.12 2.23 -0.16 5.38 3.76 0.41 -0.08 115.29 126.94 3ije s HIS 796 Ca -0.11 -1.48 -0.08 0.00 -0.15 0.00 0.00 55.06 53.25 3ije s HIS 796 Cb -0.16 -1.55 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3ije s HIS 796 CO 0.06 -0.71 0.10 -1.17 -0.85 0.00 0.00 174.74 172.17 3ije s LEU 797 N 1.46 4.09 -0.22 0.89 2.96 -0.11 -0.69 118.68 127.06 3ije s LEU 797 Ca -0.01 0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 54.10 3ije s LEU 797 Cb -0.16 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3ije s LEU 797 CO -0.08 0.26 -0.02 -1.10 -1.32 0.00 0.00 176.35 174.09 3ije s GLN 798 N -0.11 3.47 -0.13 1.98 -0.21 0.16 -1.67 119.66 123.14 3ije s GLN 798 Ca 0.09 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.90 3ije s GLN 798 Cb -0.12 -3.06 -0.00 0.00 1.00 0.00 0.00 33.01 30.83 3ije s GLN 798 CO 0.01 -0.14 -0.17 -0.46 -2.12 0.00 0.00 175.29 172.40 3ije s TRP 799 N 1.37 2.73 -0.76 0.91 -0.11 0.30 -1.56 118.94 121.82 3ije s TRP 799 Ca 0.04 -0.94 -0.26 0.00 1.22 0.00 0.00 56.10 56.17 3ije s TRP 799 Cb -0.14 -1.83 -0.00 0.00 -1.50 0.00 0.00 33.47 29.99 3ije s TRP 799 CO -0.01 -0.39 1.66 -1.25 -4.62 0.00 0.00 176.95 172.35 3ije s PRO 800 N 0.57 2.90 -0.17 5.86 0.04 -1.26 -1.19 135.00 141.75 3ije s PRO 800 Ca -0.10 -0.05 -0.26 0.00 0.04 0.00 0.00 61.00 60.63 3ije s PRO 800 Cb -0.16 -4.61 -0.23 0.00 0.04 0.00 0.00 34.50 29.54 3ije s PRO 800 CO 0.04 -2.63 0.55 -0.92 0.04 0.00 0.00 177.00 174.07 3ije h TYR 801 N 12.15 0.00 -3.87 0.56 3.20 -1.36 -3.34 116.97 124.31 3ije h TYR 801 Ca -0.13 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.56 3ije h TYR 801 Cb 1.08 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 39.12 3ije h TYR 801 CO 1.14 1.19 -0.70 0.15 -1.64 0.00 0.00 178.16 178.30 3ije s LYS 802 N -2.28 0.22 -0.12 1.82 1.02 -1.13 -3.44 119.74 115.83 3ije s LYS 802 Ca -0.23 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.37 3ije s LYS 802 Cb 0.01 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 3ije s LYS 802 CO 0.65 -0.04 -0.13 -0.47 -0.92 0.00 0.00 175.35 174.44 3ije s TYR 803 N -0.98 2.80 0.00 3.18 6.04 -0.05 0.35 117.35 128.69 3ije s TYR 803 Ca -0.11 -0.55 0.00 0.00 0.04 0.00 0.00 57.07 56.46 3ije s TYR 803 Cb -0.07 -1.81 0.00 0.00 -1.04 0.00 0.00 41.96 39.04 3ije s TYR 803 CO -0.01 -0.14 0.00 0.09 -1.54 0.00 0.00 175.55 173.96 3ije n ASN 804 N 3.32 0.00 -1.22 4.32 3.02 -1.26 -0.76 115.26 122.68 3ije n ASN 804 Ca -0.18 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.39 3ije n ASN 804 Cb 0.53 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.81 3ije n ASN 804 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ije n ASN 805 N 8.49 1.84 -4.39 6.41 3.02 -1.26 -4.89 115.26 124.49 3ije n ASN 805 Ca 0.00 -3.13 -0.32 0.00 -0.03 0.00 0.00 54.58 51.09 3ije n ASN 805 Cb 0.00 -0.43 -0.14 0.00 -0.61 0.00 0.00 39.78 38.60 3ije n ASN 805 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ije s ASN 806 N -2.93 3.74 -0.05 6.41 0.01 0.06 -5.05 114.94 117.13 3ije s ASN 806 Ca 0.37 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 52.25 3ije s ASN 806 Cb 0.38 -1.01 0.23 0.00 0.41 0.00 0.00 41.25 41.25 3ije s ASN 806 CO -0.09 0.27 0.93 0.41 -1.51 0.00 0.00 177.10 177.12 3ije n THR 807 N 2.78 0.70 0.00 1.60 -1.04 -1.26 -0.87 114.28 116.18 3ije n THR 807 Ca -0.17 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 3ije n THR 807 Cb 0.52 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 3ije n THR 807 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ije n LEU 808 N 0.17 0.00 -4.47 -4.42 4.77 -1.22 -3.88 117.00 107.95 3ije n LEU 808 Ca 0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.69 3ije n LEU 808 Cb 0.45 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.42 3ije n LEU 808 CO 0.09 0.00 -0.24 -0.76 -1.33 0.00 0.00 177.39 175.15 3ije s LEU 809 N 0.00 3.76 -0.29 2.23 1.43 -1.25 0.62 118.68 125.18 3ije s LEU 809 Ca 0.00 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3ije s LEU 809 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3ije s LEU 809 CO 0.00 -0.09 0.19 -0.47 0.23 0.00 0.00 176.35 176.21 3ije s TYR 810 N 1.64 3.22 -0.29 0.29 5.04 0.28 -4.71 117.35 122.81 3ije s TYR 810 Ca 0.06 0.02 -0.28 0.00 -2.44 0.00 0.00 57.07 54.43 3ije s TYR 810 Cb -0.16 -2.39 0.01 0.00 0.35 0.00 0.00 41.96 39.77 3ije s TYR 810 CO 0.06 -0.21 0.99 0.42 -1.34 0.00 0.00 175.55 175.47 3ije s ILE 811 N 1.74 4.63 -0.10 3.14 1.01 -1.26 0.99 121.20 131.35 3ije s ILE 811 Ca 0.07 1.69 -0.09 0.00 0.00 0.00 0.00 60.65 62.32 3ije s ILE 811 Cb -0.16 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.92 3ije s ILE 811 CO 0.10 -0.34 0.29 -0.07 0.00 0.00 0.00 174.94 174.93 3ije h LEU 812 N 9.75 -0.06 -7.16 2.97 3.38 -1.62 -3.04 115.31 119.53 3ije h LEU 812 Ca -0.21 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 3ije h LEU 812 Cb 1.07 0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.62 3ije h LEU 812 CO 0.98 0.53 -0.03 -2.28 0.09 0.00 0.00 178.44 177.73 3ije s HIS 813 N -2.03 -0.58 0.08 1.13 5.04 -1.09 -4.36 115.29 113.47 3ije s HIS 813 Ca -0.06 1.33 0.09 0.00 -1.54 0.00 0.00 55.06 54.88 3ije s HIS 813 Cb -0.00 0.24 -0.04 0.00 0.04 0.00 0.00 32.58 32.82 3ije s HIS 813 CO 0.20 -0.37 -0.21 1.52 -2.34 0.00 0.00 174.74 173.55 3ije s TYR 814 N -0.14 2.48 0.24 3.88 1.13 -1.26 -0.98 117.35 122.69 3ije s TYR 814 Ca -0.03 -0.30 0.10 0.00 -1.41 0.00 0.00 57.07 55.42 3ije s TYR 814 Cb -0.03 -1.38 -0.05 0.00 -1.10 0.00 0.00 41.96 39.39 3ije s TYR 814 CO 0.03 0.29 -0.16 -0.51 -2.51 0.00 0.00 175.55 172.68 3ije s ASP 815 N -1.71 3.04 0.02 -0.18 1.01 0.11 -4.97 116.67 114.00 3ije s ASP 815 Ca 0.15 -1.03 0.04 0.00 0.71 0.00 0.00 52.55 52.41 3ije s ASP 815 Cb -0.10 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.60 3ije s ASP 815 CO 0.06 -0.09 -0.12 -0.63 0.21 0.00 0.00 175.17 174.61 3ije s ILE 816 N -2.77 0.92 -0.07 0.77 1.01 -1.26 -0.36 121.20 119.44 3ije s ILE 816 Ca 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3ije s ILE 816 Cb -0.02 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.64 3ije s ILE 816 CO 0.11 0.03 -0.05 -0.62 0.00 0.00 0.00 174.94 174.41 3ije s ASP 817 N -0.86 1.54 0.00 3.58 3.68 0.34 -4.97 116.67 119.97 3ije s ASP 817 Ca 0.01 -0.19 0.00 0.00 2.13 0.00 0.00 52.55 54.50 3ije s ASP 817 Cb -0.07 -0.60 0.00 0.00 -1.45 0.00 0.00 42.92 40.80 3ije s ASP 817 CO 0.01 -0.09 0.00 0.61 0.13 0.00 0.00 175.17 175.82 3ije n GLY 818 N 4.51 -2.97 3.56 2.66 0.00 -1.26 -0.09 105.19 111.60 3ije n GLY 818 Ca -0.17 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 3ije n GLY 818 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ije s PRO 819 N -0.49 3.25 -0.29 1.61 0.04 -1.26 -4.87 135.00 132.99 3ije s PRO 819 Ca 0.00 -0.73 -0.16 0.00 0.04 0.00 0.00 61.00 60.15 3ije s PRO 819 Cb 0.00 -5.09 0.14 0.00 0.04 0.00 0.00 34.50 29.58 3ije s PRO 819 CO 0.00 -2.50 0.93 1.41 0.04 0.00 0.00 177.00 176.88 3ije s MET 820 N 5.66 0.43 0.17 4.56 0.00 -1.26 -0.42 119.30 128.44 3ije s MET 820 Ca 0.51 0.74 0.06 0.00 0.00 0.00 0.00 55.69 57.00 3ije s MET 820 Cb -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 34.83 34.85 3ije s MET 820 CO -0.03 -0.09 0.07 -0.80 0.00 0.00 0.00 175.02 174.17 3ije s ASN 821 N 1.36 5.17 0.05 1.11 -0.87 -0.88 -4.92 114.94 115.96 3ije s ASN 821 Ca -0.09 -0.25 0.01 0.00 -1.57 0.00 0.00 52.86 50.96 3ije s ASN 821 Cb -0.04 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.25 39.92 3ije s ASN 821 CO -0.15 0.08 -0.05 0.00 -2.57 0.00 0.00 177.10 174.40 3ije s THR 823 N -2.57 0.23 -0.08 0.00 2.01 -0.17 -5.00 115.64 110.06 3ije s THR 823 Ca -0.02 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.81 3ije s THR 823 Cb -0.02 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 3ije s THR 823 CO -0.04 0.11 0.34 -0.55 -0.69 0.00 0.00 174.62 173.80 3ije s SER 824 N 0.47 6.61 0.00 3.53 0.15 -1.26 -1.73 113.70 121.47 3ije s SER 824 Ca -0.05 0.73 0.21 0.00 0.70 0.00 0.00 55.95 57.54 3ije s SER 824 Cb -0.08 -2.21 0.99 0.00 -1.71 0.00 0.00 66.02 63.02 3ije s SER 824 CO -0.01 0.23 1.68 -0.90 1.20 0.00 0.00 173.24 175.44 3ije n ASP 825 N 2.62 0.00 -4.11 5.45 5.75 -0.72 -4.68 116.55 120.86 3ije n ASP 825 Ca -0.13 0.22 -0.23 0.00 -0.01 0.00 0.00 54.79 54.64 3ije n ASP 825 Cb 0.52 -0.39 -0.15 0.00 -1.03 0.00 0.00 41.12 40.08 3ije n ASP 825 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3ije s MET 826 N -2.77 1.20 -0.35 0.11 -1.94 -1.26 -5.02 119.30 109.27 3ije s MET 826 Ca 0.15 -0.52 -0.41 0.00 -1.71 0.00 0.00 55.69 53.21 3ije s MET 826 Cb 0.14 -1.15 -0.16 0.00 2.01 0.00 0.00 34.83 35.67 3ije s MET 826 CO 0.35 0.30 1.85 -1.91 -0.01 0.00 0.00 175.02 175.61 3ije n GLU 827 N 2.77 0.82 -2.94 2.03 4.07 -1.26 -4.93 120.64 121.20 3ije n GLU 827 Ca -0.15 0.28 -0.36 0.00 -0.06 0.00 0.00 57.16 56.88 3ije n GLU 827 Cb 0.55 -2.00 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 3ije n GLU 827 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3ije s ILE 828 N 4.44 4.42 -1.19 6.31 -4.36 -1.26 -4.11 121.20 125.45 3ije s ILE 828 Ca 1.04 1.49 -0.07 0.00 -0.26 0.00 0.00 60.65 62.86 3ije s ILE 828 Cb -1.15 -3.87 -0.02 0.00 1.25 0.00 0.00 42.46 38.67 3ije s ILE 828 CO 0.65 0.09 0.81 -3.20 0.24 0.00 0.00 174.94 173.53 3ije n ASN 829 N 0.41 -3.71 -0.27 4.36 5.15 -1.15 -4.91 115.26 115.14 3ije n ASN 829 Ca 0.01 -0.82 0.01 0.00 -0.60 0.00 0.00 54.58 53.18 3ije n ASN 829 Cb 0.51 -4.29 0.22 0.00 -0.53 0.00 0.00 39.78 35.69 3ije n ASN 829 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3ije h PRO 830 N -1.67 1.06 0.00 1.20 0.11 -1.90 -2.31 132.00 128.49 3ije h PRO 830 Ca -0.62 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3ije h PRO 830 Cb 1.34 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ije h PRO 830 CO 0.50 0.70 0.00 1.28 -0.21 0.00 0.00 178.00 180.27 3ije n LEU 831 N -4.43 0.00 -3.55 2.35 4.77 -1.26 -4.90 117.00 109.98 3ije n LEU 831 Ca 0.10 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 3ije n LEU 831 Cb 0.07 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3ije n LEU 831 CO 0.36 -0.01 0.24 0.54 -1.33 0.00 0.00 177.39 177.18 3ije n ARG 832 N -1.17 -7.85 -2.39 3.23 3.00 -0.87 -4.94 116.66 105.67 3ije n ARG 832 Ca 0.17 0.82 -0.43 0.00 -0.01 0.00 0.00 57.85 58.40 3ije n ARG 832 Cb 0.17 -5.85 -0.02 0.00 0.00 0.00 0.00 32.46 26.76 3ije n ARG 832 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3ije s ILE 833 N -3.32 3.96 -0.03 0.55 1.01 -1.26 -4.87 121.20 117.23 3ije s ILE 833 Ca 0.56 0.98 0.05 0.00 0.00 0.00 0.00 60.65 62.24 3ije s ILE 833 Cb -0.25 -4.26 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 3ije s ILE 833 CO 0.72 -0.78 -0.18 -0.54 0.00 0.00 0.00 174.94 174.16 3ije s LYS 834 N 4.83 1.70 0.00 2.79 -0.14 -1.26 -4.88 119.74 122.77 3ije s LYS 834 Ca 0.59 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 3ije s LYS 834 Cb -0.13 -1.54 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 3ije s LYS 834 CO 0.32 0.33 0.00 1.51 -0.76 0.00 0.00 175.35 176.74 3ije n ILE 835 N 2.89 0.00 0.00 2.17 3.06 -1.26 -4.21 119.36 122.01 3ije n ILE 835 Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 3ije n ILE 835 Cb 0.53 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.71 3ije n ILE 835 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3ije n SER 836 N -2.22 0.00 -2.81 9.51 2.88 -1.26 -4.82 113.62 114.90 3ije n SER 836 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 3ije n SER 836 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 3ije n SER 836 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ije n SER 837 N 5.64 -5.77 -0.02 -3.46 7.64 -1.26 -5.11 113.62 111.28 3ije n SER 837 Ca 0.00 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3ije n SER 837 Cb 0.00 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.48 3ije n SER 837 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ije n LEU 838 N -3.62 0.00 -2.70 -3.43 7.94 -1.26 -5.32 117.00 108.61 3ije n LEU 838 Ca -0.15 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.68 3ije n LEU 838 Cb 0.64 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.57 3ije n LEU 838 CO 0.40 0.00 -0.08 0.47 -1.11 0.00 0.00 177.39 177.07 3ije n ASP 868 N 0.00 0.06 -0.09 1.96 10.43 -1.26 -5.34 116.55 122.32 3ije n ASP 868 Ca 0.00 -0.26 -0.12 0.00 2.57 0.00 0.00 54.79 56.98 3ije n ASP 868 Cb 0.00 -0.33 -0.04 0.00 1.84 0.00 0.00 41.12 42.59 3ije n ASP 868 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 3ije h ILE 869 N 0.29 1.28 0.01 0.53 6.09 -2.04 -3.39 117.51 120.27 3ije h ILE 869 Ca -0.13 -1.07 -0.00 0.00 -1.37 0.00 0.00 64.86 62.29 3ije h ILE 869 Cb 0.29 1.45 0.00 0.00 0.47 0.00 0.00 36.82 39.03 3ije h ILE 869 CO 0.15 0.34 -0.00 -0.74 -3.07 0.00 0.00 178.15 174.83 3ije h HIS 870 N 0.25 -0.01 -3.32 2.19 2.76 -1.98 -3.43 115.15 111.62 3ije h HIS 870 Ca 0.07 -0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 57.66 3ije h HIS 870 Cb 0.53 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.42 3ije h HIS 870 CO 0.05 -0.00 0.36 0.99 -1.30 0.00 0.00 177.93 178.02 3ije s THR 871 N -1.64 4.90 -0.55 6.26 2.01 -1.26 -0.15 115.64 125.21 3ije s THR 871 Ca -0.00 1.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.57 3ije s THR 871 Cb 0.00 -4.13 0.14 0.00 0.01 0.00 0.00 72.50 68.52 3ije s THR 871 CO 0.00 0.05 0.37 -0.76 -0.69 0.00 0.00 174.62 173.60 3ije s LEU 872 N 1.99 5.40 0.00 4.42 1.43 0.30 -4.90 118.68 127.32 3ije s LEU 872 Ca 0.38 -2.45 0.03 0.00 -1.03 0.00 0.00 54.13 51.06 3ije s LEU 872 Cb -0.17 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.19 3ije s LEU 872 CO 0.13 -0.48 0.25 0.61 0.23 0.00 0.00 176.35 177.09 3ije n GLY 873 N 4.07 3.02 0.20 -3.19 0.00 -1.26 -2.21 105.19 105.82 3ije n GLY 873 Ca 0.03 -2.30 0.14 0.00 0.00 0.00 0.00 46.02 43.89 3ije n GLY 873 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ije h GLY 875 N 1.32 -0.31 0.39 0.00 0.00 -1.97 -3.30 103.07 99.20 3ije h GLY 875 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3ije h GLY 875 CO 0.00 -0.11 -0.94 3.33 0.00 0.00 0.00 176.54 178.82 3ije n VAL 876 N -5.17 0.04 -3.99 4.60 0.24 -1.04 -4.98 118.33 108.03 3ije n VAL 876 Ca -0.09 -0.09 -0.23 0.00 -2.04 0.00 0.00 64.34 61.90 3ije n VAL 876 Cb 0.18 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.06 3ije n VAL 876 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ije s ALA 877 N -3.08 3.64 -0.00 2.33 0.00 0.84 -4.80 121.76 120.68 3ije s ALA 877 Ca 0.07 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 3ije s ALA 877 Cb 0.16 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 3ije s ALA 877 CO 0.81 -0.02 1.24 -1.14 0.00 0.00 0.00 175.76 176.65 3ije s GLN 878 N -3.91 4.36 -0.18 0.00 2.00 0.16 -4.60 119.66 117.48 3ije s GLN 878 Ca 0.40 1.77 -0.09 0.00 -2.00 0.00 0.00 55.36 55.44 3ije s GLN 878 Cb -0.02 -3.49 -0.05 0.00 0.80 0.00 0.00 33.01 30.25 3ije s GLN 878 CO 0.24 -0.41 0.11 0.00 -0.50 0.00 0.00 175.29 174.73 3ije s LEU 880 N 0.13 3.19 -0.12 0.00 0.20 -0.33 -4.90 118.68 116.85 3ije s LEU 880 Ca 0.08 -0.26 -0.05 0.00 0.69 0.00 0.00 54.13 54.58 3ije s LEU 880 Cb -0.11 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 3ije s LEU 880 CO -0.01 0.01 0.07 -0.54 -0.29 0.00 0.00 176.35 175.59 3ije s LYS 881 N 1.32 3.42 -0.20 1.98 1.02 -1.26 -0.54 119.74 125.49 3ije s LYS 881 Ca 0.04 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 55.75 3ije s LYS 881 Cb -0.15 -3.05 0.04 0.00 -0.52 0.00 0.00 37.83 34.15 3ije s LYS 881 CO 0.01 0.61 -0.12 0.42 -0.92 0.00 0.00 175.35 175.35 3ije s ILE 882 N -0.59 1.78 0.02 2.17 1.01 -0.67 -1.76 121.20 123.16 3ije s ILE 882 Ca 0.11 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 3ije s ILE 882 Cb -0.12 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 3ije s ILE 882 CO 0.02 0.23 0.39 0.68 0.00 0.00 0.00 174.94 176.26 3ije s VAL 883 N 1.35 5.09 0.00 2.92 -7.23 -0.71 -0.93 120.40 120.89 3ije s VAL 883 Ca -0.01 0.65 0.04 0.00 -1.81 0.00 0.00 61.98 60.85 3ije s VAL 883 Cb -0.16 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.11 3ije s VAL 883 CO -0.09 0.47 -0.12 0.00 -0.31 0.00 0.00 175.10 175.06 3ije s GLN 885 N -0.51 2.68 0.06 0.00 1.11 0.23 -0.71 119.66 122.52 3ije s GLN 885 Ca 0.03 -1.33 -0.20 0.00 0.01 0.00 0.00 55.36 53.87 3ije s GLN 885 Cb -0.05 -3.76 -0.06 0.00 -1.01 0.00 0.00 33.01 28.13 3ije s GLN 885 CO -0.00 -0.87 0.60 0.08 0.01 0.00 0.00 175.29 175.11 3ije s VAL 886 N 1.47 4.76 0.00 1.09 1.01 0.32 -2.07 120.40 126.99 3ije s VAL 886 Ca 0.02 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3ije s VAL 886 Cb -0.22 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3ije s VAL 886 CO 0.04 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3ije n GLY 887 N 1.95 1.01 3.55 4.51 0.00 0.44 -1.71 105.19 114.94 3ije n GLY 887 Ca -0.09 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3ije n GLY 887 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ije s ARG 888 N 0.57 3.45 -0.28 1.61 3.52 -1.02 -3.52 118.95 123.27 3ije s ARG 888 Ca 0.00 -0.01 -0.13 0.00 -0.13 0.00 0.00 55.73 55.46 3ije s ARG 888 Cb 0.00 -3.94 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 3ije s ARG 888 CO 0.00 -1.17 0.28 -0.51 -0.81 0.00 0.00 175.30 173.09 3ije s LEU 889 N 3.49 4.07 0.72 -0.88 1.43 -0.77 -4.92 118.68 121.81 3ije s LEU 889 Ca 0.33 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 3ije s LEU 889 Cb -0.11 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 43.91 3ije s LEU 889 CO 0.24 -0.13 1.03 -1.81 0.23 0.00 0.00 176.35 175.91 3ije s ASP 890 N 1.71 4.74 0.03 2.29 1.01 -1.26 -2.16 116.67 123.04 3ije s ASP 890 Ca 0.11 0.44 -0.36 0.00 0.71 0.00 0.00 52.55 53.44 3ije s ASP 890 Cb -0.16 -1.06 -0.15 0.00 1.01 0.00 0.00 42.92 42.56 3ije s ASP 890 CO 0.11 -1.65 1.51 -1.14 0.21 0.00 0.00 175.17 174.20 3ije n ARG 891 N -2.95 1.48 -2.90 8.23 0.00 -1.26 -2.08 116.66 117.17 3ije n ARG 891 Ca 0.08 0.54 -0.10 0.00 -0.00 0.00 0.00 57.85 58.37 3ije n ARG 891 Cb 0.60 -2.23 0.04 0.00 0.00 0.00 0.00 32.46 30.87 3ije n ARG 891 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ije n GLY 892 N 3.15 0.21 3.14 5.14 0.00 0.13 -5.01 105.19 111.96 3ije n GLY 892 Ca 0.20 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 3ije n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ije s LYS 893 N -5.31 0.77 0.01 1.61 -0.14 -0.88 -5.02 119.74 110.78 3ije s LYS 893 Ca 0.19 -1.23 -0.19 0.00 -1.36 0.00 0.00 55.97 53.38 3ije s LYS 893 Cb -0.08 0.25 0.04 0.00 -1.68 0.00 0.00 37.83 36.36 3ije s LYS 893 CO 0.33 -0.20 0.41 -1.54 -0.76 0.00 0.00 175.35 173.60 3ije s SER 894 N -2.95 -0.30 -0.05 2.83 1.04 -1.26 -1.14 113.70 111.88 3ije s SER 894 Ca 0.12 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3ije s SER 894 Cb 0.07 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3ije s SER 894 CO -0.06 -0.58 -0.03 0.00 0.98 0.00 0.00 173.24 173.55 3ije s ALA 895 N -1.88 3.17 -0.04 5.32 0.00 0.01 -4.51 121.76 123.84 3ije s ALA 895 Ca -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3ije s ALA 895 Cb -0.02 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.79 3ije s ALA 895 CO 0.02 0.60 -0.02 0.42 0.00 0.00 0.00 175.76 176.78 3ije s ILE 896 N -0.93 0.38 -0.30 0.00 1.01 0.87 -0.99 121.20 121.24 3ije s ILE 896 Ca 0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 3ije s ILE 896 Cb -0.11 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3ije s ILE 896 CO 0.05 0.20 0.10 -0.22 0.00 0.00 0.00 174.94 175.06 3ije s LEU 897 N 1.03 3.89 -0.46 2.97 0.20 0.68 -0.50 118.68 126.49 3ije s LEU 897 Ca -0.09 -0.65 -0.16 0.00 0.69 0.00 0.00 54.13 53.92 3ije s LEU 897 Cb -0.14 -1.91 0.06 0.00 -0.43 0.00 0.00 46.19 43.77 3ije s LEU 897 CO -0.01 -0.19 0.40 -0.31 -0.29 0.00 0.00 176.35 175.96 3ije s TYR 898 N 1.53 3.22 -0.46 5.38 1.51 0.51 -0.47 117.35 128.56 3ije s TYR 898 Ca 0.03 -0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 55.14 3ije s TYR 898 Cb -0.17 -3.08 0.05 0.00 -0.11 0.00 0.00 41.96 38.65 3ije s TYR 898 CO 0.03 -0.78 0.45 0.08 -1.11 0.00 0.00 175.55 174.23 3ije s VAL 899 N 1.79 5.12 -0.32 0.71 1.01 -0.87 0.09 120.40 127.93 3ije s VAL 899 Ca 0.06 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 3ije s VAL 899 Cb -0.22 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3ije s VAL 899 CO 0.08 -0.57 0.50 -0.75 0.00 0.00 0.00 175.10 174.36 3ije s LYS 900 N 1.99 3.76 0.20 2.72 2.20 -0.16 -1.20 119.74 129.25 3ije s LYS 900 Ca 0.09 -0.04 0.07 0.00 -0.36 0.00 0.00 55.97 55.73 3ije s LYS 900 Cb -0.21 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 3ije s LYS 900 CO 0.10 -0.54 -0.14 -1.54 -0.36 0.00 0.00 175.35 172.86 3ije s SER 901 N 1.70 2.51 -0.06 1.43 1.04 -0.52 -1.52 113.70 118.29 3ije s SER 901 Ca 0.19 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.63 3ije s SER 901 Cb -0.15 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 3ije s SER 901 CO 0.12 -0.18 -0.09 -0.76 0.98 0.00 0.00 173.24 173.32 3ije s LEU 902 N -3.26 3.06 -0.03 2.42 1.02 0.28 0.12 118.68 122.28 3ije s LEU 902 Ca 0.21 -0.08 -0.30 0.00 0.02 0.00 0.00 54.13 53.99 3ije s LEU 902 Cb -0.01 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.51 3ije s LEU 902 CO 0.06 0.35 1.07 -0.22 0.02 0.00 0.00 176.35 177.63 3ije s LEU 903 N -0.86 4.32 -1.04 1.79 0.20 -0.79 0.99 118.68 123.29 3ije s LEU 903 Ca 0.13 1.71 -0.20 0.00 0.69 0.00 0.00 54.13 56.46 3ije s LEU 903 Cb -0.11 -3.57 0.10 0.00 -0.43 0.00 0.00 46.19 42.19 3ije s LEU 903 CO 0.02 -0.41 1.36 0.86 -0.29 0.00 0.00 176.35 177.89 3ije s TRP 904 N 1.52 2.92 0.20 5.38 -0.11 0.20 -3.48 118.94 125.57 3ije s TRP 904 Ca 0.53 -1.32 -0.10 0.00 1.22 0.00 0.00 56.10 56.43 3ije s TRP 904 Cb -0.22 -4.49 0.20 0.00 -1.50 0.00 0.00 33.47 27.45 3ije s TRP 904 CO 0.24 -1.68 1.82 1.79 -4.62 0.00 0.00 176.95 174.51 3ije h THR 905 N 6.00 1.02 -0.66 5.86 1.35 -1.80 -2.95 112.91 121.74 3ije h THR 905 Ca 0.23 -0.25 0.11 0.00 -0.55 0.00 0.00 66.41 65.95 3ije h THR 905 Cb 0.98 0.24 -0.11 0.00 -1.73 0.00 0.00 68.15 67.53 3ije h THR 905 CO 1.28 0.13 -0.22 -0.62 -0.25 0.00 0.00 175.52 175.84 3ije n GLU 906 N -4.75 -0.12 -0.02 4.72 1.02 -1.26 0.09 120.64 120.32 3ije n GLU 906 Ca 0.07 1.02 -0.09 0.00 -0.02 0.00 0.00 57.16 58.14 3ije n GLU 906 Cb 0.13 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3ije n GLU 906 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3ije h THR 907 N 0.00 0.75 0.00 2.62 2.02 -1.93 -2.83 112.91 113.54 3ije h THR 907 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3ije h THR 907 Cb 0.43 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3ije h THR 907 CO -0.66 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 174.97 3ije h PHE 908 N -0.07 0.00 0.00 3.16 -1.00 -0.48 -2.90 116.94 115.66 3ije h PHE 908 Ca 0.08 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.32 3ije h PHE 908 Cb 0.19 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.77 3ije h PHE 908 CO -0.22 0.00 3.03 -1.33 -1.61 0.00 0.00 178.31 178.18 3ije n MET 909 N -2.72 2.61 -1.50 1.51 2.81 -0.87 -4.68 117.12 114.27 3ije n MET 909 Ca 0.02 -1.87 -0.42 0.00 -1.81 0.00 0.00 57.70 53.63 3ije n MET 909 Cb 0.33 -2.72 -0.08 0.00 -0.71 0.00 0.00 33.22 30.04 3ije n MET 909 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ije n ASN 910 N 4.64 1.56 0.14 7.83 5.03 -0.60 -4.74 115.26 129.12 3ije n ASN 910 Ca 0.57 -0.03 0.12 0.00 0.87 0.00 0.00 54.58 56.11 3ije n ASN 910 Cb 0.23 -1.27 0.51 0.00 -1.02 0.00 0.00 39.78 38.22 3ije n ASN 910 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 3ije h LYS 911 N 15.09 0.00 0.39 3.52 1.79 -1.85 -0.48 116.57 135.03 3ije h LYS 911 Ca -0.18 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 3ije h LYS 911 Cb 1.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 3ije h LYS 911 CO 1.20 0.00 -0.29 0.93 -1.08 0.00 0.00 179.45 180.21 3ije h GLU 912 N 0.00 -0.65 -0.11 3.15 3.07 -1.93 -3.45 114.58 114.65 3ije h GLU 912 Ca 0.00 0.04 0.28 0.00 -0.50 0.00 0.00 59.36 59.18 3ije h GLU 912 Cb 0.40 0.15 -0.20 0.00 -0.84 0.00 0.00 28.75 28.25 3ije h GLU 912 CO 0.00 -0.44 0.22 -0.80 -1.40 0.00 0.00 179.01 176.59 3ije s ASN 913 N -4.62 -0.16 0.00 1.42 0.01 -0.90 -5.09 114.94 105.60 3ije s ASN 913 Ca -0.16 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 3ije s ASN 913 Cb 0.05 1.13 0.00 0.00 0.41 0.00 0.00 41.25 42.84 3ije s ASN 913 CO 0.63 -0.03 0.00 0.00 -1.51 0.00 0.00 177.10 176.19 3ije n GLN 914 N 5.40 0.00 -3.78 -0.60 1.13 -0.24 -4.79 117.38 114.50 3ije n GLN 914 Ca -0.05 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.00 3ije n GLN 914 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.91 3ije n GLN 914 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3ije s ASN 915 N -4.00 -0.06 -0.02 1.08 4.22 -1.26 -1.55 114.94 113.34 3ije s ASN 915 Ca 0.00 -0.37 -0.30 0.00 -2.14 0.00 0.00 52.86 50.06 3ije s ASN 915 Cb 0.00 0.34 0.11 0.00 1.28 0.00 0.00 41.25 42.97 3ije s ASN 915 CO 0.00 -0.65 0.99 -2.28 -2.04 0.00 0.00 177.10 173.12 3ije s HIS 916 N -2.52 -0.25 -0.10 1.54 2.46 -1.26 -5.05 115.29 110.11 3ije s HIS 916 Ca 0.18 0.11 -0.29 0.00 0.47 0.00 0.00 55.06 55.53 3ije s HIS 916 Cb 0.00 0.55 -0.04 0.00 -0.13 0.00 0.00 32.58 32.96 3ije s HIS 916 CO 0.01 -0.50 1.50 -1.12 -2.47 0.00 0.00 174.74 172.16 3ije s SER 917 N -2.51 6.77 -0.08 9.88 0.01 -1.26 -4.88 113.70 121.62 3ije s SER 917 Ca 0.07 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.35 3ije s SER 917 Cb -0.01 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 3ije s SER 917 CO -0.06 -0.87 -0.08 -0.31 0.41 0.00 0.00 173.24 172.33 3ije s TYR 918 N 3.86 2.90 -0.42 2.43 2.02 -0.33 -4.32 117.35 123.48 3ije s TYR 918 Ca 0.66 -0.12 -0.06 0.00 -0.37 0.00 0.00 57.07 57.18 3ije s TYR 918 Cb -0.29 -1.75 0.10 0.00 -0.40 0.00 0.00 41.96 39.63 3ije s TYR 918 CO 0.24 0.20 0.25 0.45 -1.57 0.00 0.00 175.55 175.12 3ije s SER 919 N -0.51 5.47 -0.47 2.29 0.15 0.78 0.11 113.70 121.52 3ije s SER 919 Ca 0.07 -1.83 -0.29 0.00 0.70 0.00 0.00 55.95 54.61 3ije s SER 919 Cb -0.12 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.30 3ije s SER 919 CO 0.02 -0.57 1.13 -0.76 1.20 0.00 0.00 173.24 174.26 3ije s LEU 920 N 1.28 3.66 -0.16 3.45 1.43 -0.63 -0.53 118.68 127.18 3ije s LEU 920 Ca 0.05 0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3ije s LEU 920 Cb -0.24 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3ije s LEU 920 CO -0.01 -1.23 -0.11 -1.59 0.23 0.00 0.00 176.35 173.64 3ije s LYS 921 N 4.40 3.36 0.21 1.70 -2.85 -0.94 -0.49 119.74 125.13 3ije s LYS 921 Ca 0.48 -0.67 0.06 0.00 -1.00 0.00 0.00 55.97 54.83 3ije s LYS 921 Cb -0.07 -2.75 -0.04 0.00 -2.06 0.00 0.00 37.83 32.91 3ije s LYS 921 CO 0.31 0.05 0.16 -1.54 0.10 0.00 0.00 175.35 174.43 3ije s SER 922 N 0.78 5.51 0.02 0.03 1.04 -0.82 -4.25 113.70 116.00 3ije s SER 922 Ca -0.04 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3ije s SER 922 Cb -0.15 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 3ije s SER 922 CO 0.01 0.01 -0.04 -0.94 0.98 0.00 0.00 173.24 173.26 3ije s SER 923 N -3.48 0.46 -0.06 7.02 1.04 -0.60 -1.68 113.70 116.39 3ije s SER 923 Ca 0.32 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3ije s SER 923 Cb -0.09 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.09 3ije s SER 923 CO 0.24 -0.16 -0.06 0.00 0.98 0.00 0.00 173.24 174.23 3ije s ALA 924 N -0.99 0.92 0.33 5.32 0.00 -0.40 0.39 121.76 127.33 3ije s ALA 924 Ca -0.09 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.74 3ije s ALA 924 Cb -0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 3ije s ALA 924 CO -0.00 -0.08 -0.06 -1.54 0.00 0.00 0.00 175.76 174.07 3ije s SER 925 N 1.07 3.92 0.05 0.00 1.04 0.13 -1.56 113.70 118.35 3ije s SER 925 Ca -0.08 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.27 3ije s SER 925 Cb -0.14 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 3ije s SER 925 CO -0.01 -0.18 -0.04 0.72 0.98 0.00 0.00 173.24 174.72 3ije s PHE 926 N -2.55 0.50 -0.04 5.02 -0.12 -0.32 -0.44 117.98 120.02 3ije s PHE 926 Ca 0.33 -0.91 -0.02 0.00 -0.05 0.00 0.00 56.93 56.28 3ije s PHE 926 Cb 0.00 -0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.07 3ije s PHE 926 CO 0.18 -0.30 0.08 1.21 -0.05 0.00 0.00 175.22 176.33 3ije s ASN 927 N -2.55 0.80 -0.14 1.98 3.04 -0.19 -2.81 114.94 115.06 3ije s ASN 927 Ca 0.02 0.13 -0.26 0.00 0.04 0.00 0.00 52.86 52.78 3ije s ASN 927 Cb 0.03 -0.04 -0.02 0.00 -1.54 0.00 0.00 41.25 39.68 3ije s ASN 927 CO -0.07 -0.22 0.87 -0.69 -3.04 0.00 0.00 177.10 173.95 3ije s VAL 928 N 1.93 4.86 -0.09 -5.21 1.01 0.35 -0.76 120.40 122.49 3ije s VAL 928 Ca 0.01 1.74 0.11 0.00 0.00 0.00 0.00 61.98 63.84 3ije s VAL 928 Cb -0.12 -4.18 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 3ije s VAL 928 CO -0.04 0.04 0.09 2.30 0.00 0.00 0.00 175.10 177.49 3ije n ILE 929 N 4.62 0.62 -4.10 2.22 -5.35 -0.83 -3.50 119.36 113.03 3ije n ILE 929 Ca 0.05 -0.45 -0.10 0.00 -0.27 0.00 0.00 62.75 61.99 3ije n ILE 929 Cb 0.49 -0.49 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 3ije n ILE 929 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3ije s GLU 930 N -2.41 0.65 0.04 6.28 0.41 -1.06 -4.98 118.70 117.62 3ije s GLU 930 Ca -0.05 -1.10 0.02 0.00 -0.41 0.00 0.00 54.97 53.42 3ije s GLU 930 Cb 0.04 -0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.31 3ije s GLU 930 CO 0.49 -0.04 -0.07 -0.06 -0.49 0.00 0.00 175.26 175.09 3ije s PHE 931 N -3.03 0.58 -0.89 1.61 0.08 -1.26 -1.79 117.98 113.29 3ije s PHE 931 Ca 0.03 -0.48 0.22 0.00 0.12 0.00 0.00 56.93 56.81 3ije s PHE 931 Cb 0.01 -0.36 0.88 0.00 -0.57 0.00 0.00 43.02 42.99 3ije s PHE 931 CO -0.05 -0.10 1.68 -0.35 -0.10 0.00 0.00 175.22 176.30 3ije n PRO 932 N 1.57 0.06 -2.35 0.24 -0.04 -1.26 -4.07 135.00 129.15 3ije n PRO 932 Ca -0.22 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 3ije n PRO 932 Cb 0.55 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 3ije n PRO 932 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ije n TYR 933 N -1.70 2.66 0.26 0.54 4.02 -1.26 -4.82 117.16 116.85 3ije n TYR 933 Ca 0.05 -2.73 0.05 0.00 -0.01 0.00 0.00 57.90 55.26 3ije n TYR 933 Cb 0.26 -1.67 0.25 0.00 -0.02 0.00 0.00 39.34 38.15 3ije n TYR 933 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3ije n LYS 934 N 1.97 0.04 -0.78 -0.72 4.81 -1.26 -2.38 118.16 119.84 3ije n LYS 934 Ca 0.48 0.41 0.07 0.00 -0.87 0.00 0.00 58.31 58.41 3ije n LYS 934 Cb 0.29 -1.60 0.37 0.00 0.02 0.00 0.00 35.03 34.11 3ije n LYS 934 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3ije n ASN 935 N -1.68 5.27 -3.86 3.14 5.15 -1.26 -4.97 115.26 117.05 3ije n ASN 935 Ca 0.01 -2.95 -0.12 0.00 -0.60 0.00 0.00 54.58 50.93 3ije n ASN 935 Cb 0.10 -0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 38.58 3ije n ASN 935 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3ije s LEU 936 N -2.77 1.69 -0.33 1.20 1.98 -1.00 -4.89 118.68 114.57 3ije s LEU 936 Ca 0.52 0.04 -0.45 0.00 -2.89 0.00 0.00 54.13 51.35 3ije s LEU 936 Cb 0.40 0.37 -0.20 0.00 0.66 0.00 0.00 46.19 47.41 3ije s LEU 936 CO 0.14 -0.13 1.42 -2.65 -1.89 0.00 0.00 176.35 173.25 3ije n PRO 937 N 2.57 0.01 -4.67 0.98 -0.02 -1.26 -4.97 135.00 127.63 3ije n PRO 937 Ca -0.16 0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.02 3ije n PRO 937 Cb 0.58 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 3ije n PRO 937 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3ije s ILE 938 N 1.98 0.81 -0.28 4.25 -4.36 -1.26 -4.40 121.20 117.94 3ije s ILE 938 Ca 1.00 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 59.18 3ije s ILE 938 Cb -1.42 -2.14 0.12 0.00 1.25 0.00 0.00 42.46 40.27 3ije s ILE 938 CO 0.73 0.00 0.93 -0.70 0.24 0.00 0.00 174.94 176.14 3ije s GLU 939 N -3.80 0.53 0.27 0.37 2.12 -1.26 -5.14 118.70 111.79 3ije s GLU 939 Ca 0.10 0.75 -0.30 0.00 0.36 0.00 0.00 54.97 55.89 3ije s GLU 939 Cb 0.01 0.19 -0.10 0.00 0.26 0.00 0.00 34.13 34.49 3ije s GLU 939 CO 0.07 -0.08 1.38 -0.51 -0.54 0.00 0.00 175.26 175.57 3ije s ASP 940 N 0.80 6.72 -0.15 -1.70 -0.00 -1.26 -5.01 116.67 116.07 3ije s ASP 940 Ca -0.03 2.64 -0.03 0.00 -0.00 0.00 0.00 52.55 55.13 3ije s ASP 940 Cb -0.05 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 3ije s ASP 940 CO -0.10 -0.63 -0.05 -0.63 -0.00 0.00 0.00 175.17 173.76 3ije s ILE 941 N -0.36 3.75 -0.00 0.77 1.01 -1.23 -4.94 121.20 120.20 3ije s ILE 941 Ca 0.55 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.81 3ije s ILE 941 Cb -0.40 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3ije s ILE 941 CO 0.46 0.50 -0.05 -0.89 0.00 0.00 0.00 174.94 174.97 3ije s THR 942 N 0.30 0.37 0.21 2.92 2.01 -1.26 -0.50 115.64 119.69 3ije s THR 942 Ca -0.05 -0.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.48 3ije s THR 942 Cb -0.14 -0.32 0.07 0.00 0.01 0.00 0.00 72.50 72.11 3ije s THR 942 CO 0.03 0.06 0.98 0.21 -0.69 0.00 0.00 174.62 175.22 3ije s ASN 943 N -0.22 -0.03 0.19 3.53 3.84 -1.13 -5.02 114.94 116.11 3ije s ASN 943 Ca 0.01 -0.70 -0.21 0.00 0.21 0.00 0.00 52.86 52.17 3ije s ASN 943 Cb -0.02 0.55 0.05 0.00 -0.55 0.00 0.00 41.25 41.28 3ije s ASN 943 CO -0.00 -1.09 0.59 -0.94 -2.79 0.00 0.00 177.10 172.87 3ije s SER 944 N -3.27 -0.40 0.11 -4.21 1.04 -1.26 -1.17 113.70 104.54 3ije s SER 944 Ca 0.19 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.35 3ije s SER 944 Cb -0.03 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3ije s SER 944 CO 0.06 -1.06 0.00 -0.89 0.98 0.00 0.00 173.24 172.33 3ije s THR 945 N -3.82 0.32 -0.03 2.02 2.01 -0.60 -4.96 115.64 110.58 3ije s THR 945 Ca 0.05 -1.89 0.03 0.00 0.31 0.00 0.00 61.69 60.19 3ije s THR 945 Cb -0.02 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.66 3ije s THR 945 CO -0.06 -0.70 -0.11 -1.48 -0.69 0.00 0.00 174.62 171.58 3ije s LEU 946 N -3.03 1.80 0.07 4.42 2.34 -1.26 -1.27 118.68 121.75 3ije s LEU 946 Ca 0.17 -0.24 0.07 0.00 0.06 0.00 0.00 54.13 54.19 3ije s LEU 946 Cb 0.07 -0.69 -0.04 0.00 -0.56 0.00 0.00 46.19 44.98 3ije s LEU 946 CO -0.03 0.09 -0.14 0.68 -1.06 0.00 0.00 176.35 175.89 3ije s VAL 947 N 0.20 3.12 0.04 1.48 -7.23 -0.68 -4.94 120.40 112.38 3ije s VAL 947 Ca -0.04 -1.23 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 3ije s VAL 947 Cb -0.10 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 3ije s VAL 947 CO 0.01 0.22 -0.14 0.28 -0.31 0.00 0.00 175.10 175.16 3ije s THR 948 N -1.08 1.07 -0.29 5.32 -1.32 -1.26 -1.95 115.64 116.11 3ije s THR 948 Ca 0.18 -0.96 0.01 0.00 -1.21 0.00 0.00 61.69 59.71 3ije s THR 948 Cb -0.11 -0.97 0.09 0.00 -1.51 0.00 0.00 72.50 70.00 3ije s THR 948 CO 0.10 0.01 0.03 -0.89 -2.21 0.00 0.00 174.62 171.66 3ije s THR 949 N -0.82 1.56 -0.23 5.08 2.01 0.36 -4.66 115.64 118.93 3ije s THR 949 Ca 0.01 -1.65 -0.25 0.00 0.31 0.00 0.00 61.69 60.11 3ije s THR 949 Cb -0.08 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 3ije s THR 949 CO 0.01 -0.46 0.83 0.20 -0.69 0.00 0.00 174.62 174.51 3ije s ASN 950 N 1.30 6.84 -0.31 3.53 0.01 -0.79 -1.60 114.94 123.93 3ije s ASN 950 Ca 0.05 1.05 -0.10 0.00 -0.71 0.00 0.00 52.86 53.15 3ije s ASN 950 Cb -0.18 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 3ije s ASN 950 CO -0.13 -0.50 0.17 -0.69 -1.51 0.00 0.00 177.10 174.44 3ije s VAL 951 N 2.77 4.85 0.35 1.60 1.01 0.12 -1.55 120.40 129.55 3ije s VAL 951 Ca 0.35 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.12 3ije s VAL 951 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3ije s VAL 951 CO 0.08 0.10 0.18 0.42 0.00 0.00 0.00 175.10 175.88 3ije s THR 952 N 1.66 0.33 -0.24 3.92 -4.23 -0.98 -1.19 115.64 114.91 3ije s THR 952 Ca 0.05 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.45 3ije s THR 952 Cb -0.17 -2.44 -0.11 0.00 1.34 0.00 0.00 72.50 71.12 3ije s THR 952 CO 0.08 0.00 -0.30 0.79 -0.54 0.00 0.00 174.62 174.64 3ije n TRP 953 N -0.72 0.00 0.00 3.99 7.02 -1.26 -0.42 117.44 126.05 3ije n TRP 953 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3ije n TRP 953 Cb 0.64 -0.86 0.00 0.00 -2.42 0.00 0.00 31.31 28.67 3ije n TRP 953 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ije n GLY 954 N 1.54 1.37 3.58 6.99 0.00 -1.26 -4.07 105.19 113.33 3ije n GLY 954 Ca -0.47 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3ije n GLY 954 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ije s ILE 955 N 0.00 3.71 0.07 -0.61 -1.09 -1.26 -4.97 121.20 117.05 3ije s ILE 955 Ca 0.00 0.64 -0.12 0.00 -2.23 0.00 0.00 60.65 58.94 3ije s ILE 955 Cb 0.00 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 36.69 3ije s ILE 955 CO 0.00 -0.93 0.26 0.00 -1.23 0.00 0.00 174.94 173.03 3ije s GLN 956 N 5.61 0.84 0.27 2.79 -2.07 -1.26 -4.93 119.66 120.91 3ije s GLN 956 Ca 0.60 -0.72 -0.28 0.00 -1.82 0.00 0.00 55.36 53.14 3ije s GLN 956 Cb -0.13 0.35 -0.15 0.00 -1.09 0.00 0.00 33.01 32.00 3ije s GLN 956 CO 0.27 -0.28 0.93 -2.30 -1.32 0.00 0.00 175.29 172.60 3ije n PRO 957 N 0.25 1.10 -2.17 9.60 -0.02 -1.26 -5.03 135.00 137.46 3ije n PRO 957 Ca -0.17 0.39 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 3ije n PRO 957 Cb 0.61 -1.69 0.11 0.00 -0.02 0.00 0.00 33.50 32.51 3ije n PRO 957 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ije s ALA 958 N -1.01 2.95 0.23 3.55 0.00 -1.26 -5.02 121.76 121.20 3ije s ALA 958 Ca 0.60 -1.14 -0.32 0.00 0.00 0.00 0.00 51.96 51.10 3ije s ALA 958 Cb -0.75 -2.57 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 3ije s ALA 958 CO 0.59 -1.70 1.60 -0.35 0.00 0.00 0.00 175.76 175.89 3ije n PRO 959 N -3.19 2.49 -3.63 0.00 -0.04 -1.26 -5.02 135.00 124.35 3ije n PRO 959 Ca 0.11 0.89 -0.11 0.00 -0.04 0.00 0.00 63.50 64.35 3ije n PRO 959 Cb 0.60 -2.67 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 3ije n PRO 959 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3ije s MET 960 N 0.28 0.70 0.00 0.54 1.75 -1.26 -5.16 119.30 116.15 3ije s MET 960 Ca 0.71 0.88 0.00 0.00 -1.25 0.00 0.00 55.69 56.03 3ije s MET 960 Cb -0.56 0.32 0.00 0.00 2.84 0.00 0.00 34.83 37.43 3ije s MET 960 CO 0.42 -0.09 0.06 -0.35 -0.65 0.00 0.00 175.02 174.41 3ije n PRO 961 N 2.72 0.00 -0.06 4.11 -0.04 -1.26 -4.79 135.00 135.68 3ije n PRO 961 Ca -0.14 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.37 3ije n PRO 961 Cb 0.56 -0.43 0.08 0.00 -0.04 0.00 0.00 33.50 33.67 3ije n PRO 961 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ije n VAL 962 N -0.34 0.34 -1.74 0.52 0.31 -1.26 -5.06 118.33 111.11 3ije n VAL 962 Ca 0.00 -0.67 -0.30 0.00 -0.01 0.00 0.00 64.34 63.37 3ije n VAL 962 Cb 0.00 0.98 0.18 0.00 -0.91 0.00 0.00 33.84 34.09 3ije n VAL 962 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3ije s PRO 963 N -0.93 0.48 0.45 5.55 0.04 -1.26 -5.10 135.00 134.23 3ije s PRO 963 Ca 0.16 -0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.00 3ije s PRO 963 Cb 0.10 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 3ije s PRO 963 CO 0.14 -2.55 0.06 0.14 0.04 0.00 0.00 177.00 174.82 3ije s VAL 964 N -3.64 1.00 0.38 -0.36 -7.23 -1.26 -5.17 120.40 104.12 3ije s VAL 964 Ca 0.71 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 3ije s VAL 964 Cb -0.07 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.53 3ije s VAL 964 CO 0.53 0.00 0.53 -1.66 -0.31 0.00 0.00 175.10 174.19 3ije s TRP 965 N -3.03 2.97 0.07 2.82 1.48 -1.26 -5.14 118.94 116.85 3ije s TRP 965 Ca 0.17 -0.29 -0.08 0.00 -1.06 0.00 0.00 56.10 54.84 3ije s TRP 965 Cb 0.03 -2.19 -0.00 0.00 -1.16 0.00 0.00 33.47 30.14 3ije s TRP 965 CO 0.10 -0.22 0.17 0.14 -4.06 0.00 0.00 176.95 173.07 3ije s VAL 966 N -2.27 0.14 -2.11 -0.66 -7.23 -1.26 -5.19 120.40 101.82 3ije s VAL 966 Ca 0.50 -1.15 0.31 0.00 -1.81 0.00 0.00 61.98 59.83 3ije s VAL 966 Cb -0.10 -1.23 0.83 0.00 0.56 0.00 0.00 36.38 36.45 3ije s VAL 966 CO 0.32 -0.63 2.13 -0.38 -0.31 0.00 0.00 175.10 176.22