#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8i s LYS 3 N 0.00 3.40 -0.22 -2.82 2.20 -1.26 0.04 119.74 121.09 3h8i s LYS 3 Ca 0.00 -0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 3h8i s LYS 3 Cb 0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3h8i s LYS 3 CO 0.00 -0.17 -0.08 0.08 -0.36 0.00 0.00 175.35 174.82 3h8i s VAL 4 N 1.40 3.00 -0.11 4.02 1.01 0.61 -1.00 120.40 129.33 3h8i s VAL 4 Ca 0.05 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 3h8i s VAL 4 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3h8i s VAL 4 CO -0.02 0.41 0.26 -0.76 0.00 0.00 0.00 175.10 174.98 3h8i s LEU 5 N 1.41 4.34 -0.22 3.92 1.43 -0.23 -1.37 118.68 127.97 3h8i s LEU 5 Ca 0.05 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3h8i s LEU 5 Cb -0.14 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3h8i s LEU 5 CO -0.06 0.26 -0.15 -0.69 0.23 0.00 0.00 176.35 175.94 3h8i s VAL 6 N -0.37 2.24 -0.19 -1.59 1.01 0.79 -0.41 120.40 121.88 3h8i s VAL 6 Ca 0.17 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 3h8i s VAL 6 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3h8i s VAL 6 CO 0.06 0.29 0.49 -0.76 0.00 0.00 0.00 175.10 175.18 3h8i s LEU 7 N 1.23 4.16 0.00 3.92 1.43 0.07 -1.04 118.68 128.46 3h8i s LEU 7 Ca -0.00 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3h8i s LEU 7 Cb -0.16 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.39 3h8i s LEU 7 CO -0.09 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 176.96 3h8i n GLY 8 N 3.82 1.87 1.80 -3.19 0.00 -0.25 -0.86 105.19 108.38 3h8i n GLY 8 Ca -0.06 -2.05 0.03 0.00 0.00 0.00 0.00 46.02 43.94 3h8i n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8i n GLY 9 N 0.82 1.27 0.00 -0.02 0.00 -1.26 -4.63 105.19 101.38 3h8i n GLY 9 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3h8i n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h8i n ARG 10 N 0.22 1.58 -0.19 1.61 1.74 -1.26 -4.76 116.66 115.60 3h8i n ARG 10 Ca 0.07 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 3h8i n ARG 10 Cb 1.06 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.45 3h8i n ARG 10 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3h8i h PHE 11 N 0.00 -1.39 -0.04 -1.55 -1.00 -1.93 -0.13 116.94 110.89 3h8i h PHE 11 Ca 0.00 0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 3h8i h PHE 11 Cb 0.00 0.68 -0.00 0.00 3.61 0.00 0.00 35.95 40.24 3h8i h PHE 11 CO 0.00 -0.44 -0.01 0.78 -1.61 0.00 0.00 178.31 177.03 3h8i h GLY 12 N -0.27 0.08 0.83 -1.45 0.00 -1.88 -2.65 103.07 97.74 3h8i h GLY 12 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3h8i h GLY 12 CO -0.67 0.06 -0.40 0.00 0.00 0.00 0.00 176.54 175.53 3h8i h ALA 13 N 0.63 -1.26 -0.78 3.60 0.00 -1.72 -2.22 119.26 117.51 3h8i h ALA 13 Ca 0.01 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3h8i h ALA 13 Cb 0.42 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3h8i h ALA 13 CO 0.00 -1.17 0.44 -0.07 0.00 0.00 0.00 179.25 178.46 3h8i h LEU 14 N -1.16 0.64 -0.29 0.00 4.07 -1.16 0.12 115.31 117.53 3h8i h LEU 14 Ca -0.11 0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.90 3h8i h LEU 14 Cb 0.86 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 3h8i h LEU 14 CO 0.19 0.38 0.18 0.74 -1.08 0.00 0.00 178.44 178.85 3h8i h THR 15 N 0.77 1.05 -0.17 0.22 2.02 -1.47 -1.19 112.91 114.13 3h8i h THR 15 Ca 0.37 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 3h8i h THR 15 Cb 0.30 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3h8i h THR 15 CO -0.23 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.71 3h8i h ALA 16 N 1.12 0.23 0.82 6.16 0.00 -0.72 -0.94 119.26 125.94 3h8i h ALA 16 Ca 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3h8i h ALA 16 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h8i h ALA 16 CO -0.04 -0.04 -0.44 0.00 0.00 0.00 0.00 179.25 178.73 3h8i h ALA 17 N 0.75 -1.29 -0.53 0.00 0.00 -0.65 0.68 119.26 118.23 3h8i h ALA 17 Ca 0.05 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3h8i h ALA 17 Cb 0.42 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3h8i h ALA 17 CO 0.01 -1.22 0.23 1.88 0.00 0.00 0.00 179.25 180.15 3h8i h TYR 18 N -1.16 0.42 -0.71 0.00 -1.99 -1.30 0.73 116.97 112.95 3h8i h TYR 18 Ca -0.11 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 3h8i h TYR 18 Cb 0.91 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.50 3h8i h TYR 18 CO -0.03 0.17 0.31 1.15 -0.00 0.00 0.00 178.16 179.77 3h8i h THR 19 N 0.45 1.24 0.33 -2.88 2.02 -1.13 -1.75 112.91 111.18 3h8i h THR 19 Ca 0.24 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3h8i h THR 19 Cb 0.21 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3h8i h THR 19 CO -0.21 0.30 -0.16 0.25 0.37 0.00 0.00 175.52 176.07 3h8i h LEU 20 N 1.01 -0.37 -0.13 2.58 5.85 -0.15 -2.17 115.31 121.93 3h8i h LEU 20 Ca 0.24 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3h8i h LEU 20 Cb 0.17 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3h8i h LEU 20 CO -0.02 -0.06 -0.07 0.50 -0.34 0.00 0.00 178.44 178.44 3h8i h LYS 21 N -0.71 -0.07 -0.50 1.25 1.63 -0.86 -0.36 116.57 116.96 3h8i h LYS 21 Ca -0.04 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.87 3h8i h LYS 21 Cb 0.49 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3h8i h LYS 21 CO 0.07 -0.05 0.34 -0.09 -3.45 0.00 0.00 179.45 176.28 3h8i h ARG 22 N -0.07 0.17 0.11 1.90 2.43 -1.36 0.68 114.38 118.24 3h8i h ARG 22 Ca 0.08 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 3h8i h ARG 22 Cb 0.18 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3h8i h ARG 22 CO -0.18 0.11 -1.31 -0.07 -1.51 0.00 0.00 179.97 177.02 3h8i h LEU 23 N 0.18 0.38 0.00 3.80 3.38 -0.54 -3.39 115.31 119.11 3h8i h LEU 23 Ca 0.23 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3h8i h LEU 23 Cb 0.69 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3h8i h LEU 23 CO -0.04 1.35 -0.65 1.33 0.09 0.00 0.00 178.44 180.52 3h8i n VAL 24 N -3.49 0.00 0.00 1.22 0.24 -0.26 -4.97 118.33 111.07 3h8i n VAL 24 Ca -0.10 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3h8i n VAL 24 Cb 1.02 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 3h8i n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h8i n GLY 25 N 1.52 2.35 0.05 7.63 0.00 0.23 -0.63 105.19 116.35 3h8i n GLY 25 Ca 0.00 0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.54 3h8i n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h8i n SER 26 N 7.24 0.44 0.00 1.61 3.41 -1.26 -3.75 113.62 121.30 3h8i n SER 26 Ca 0.00 0.42 0.01 0.00 -0.26 0.00 0.00 58.87 59.04 3h8i n SER 26 Cb 0.00 -0.48 0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3h8i n SER 26 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h8i n LYS 27 N -1.86 0.06 -3.55 4.33 5.02 0.20 -4.69 118.16 117.67 3h8i n LYS 27 Ca 0.06 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 3h8i n LYS 27 Cb 0.39 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 3h8i n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h8i s ALA 28 N -2.11 -1.89 -0.32 7.82 0.00 -1.25 -4.55 121.76 119.46 3h8i s ALA 28 Ca 0.03 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 3h8i s ALA 28 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3h8i s ALA 28 CO 0.03 -0.43 0.23 -0.51 0.00 0.00 0.00 175.76 175.08 3h8i s ASP 29 N -1.54 6.06 -0.26 0.00 1.01 0.11 -4.86 116.67 117.18 3h8i s ASP 29 Ca -0.00 -0.28 -0.08 0.00 0.71 0.00 0.00 52.55 52.90 3h8i s ASP 29 Cb -0.01 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3h8i s ASP 29 CO -0.01 -0.18 0.11 -0.69 0.21 0.00 0.00 175.17 174.60 3h8i s VAL 30 N 1.75 4.62 -0.03 -1.27 1.01 -1.26 -0.28 120.40 124.94 3h8i s VAL 30 Ca 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3h8i s VAL 30 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3h8i s VAL 30 CO 0.11 0.31 -0.16 -0.75 0.00 0.00 0.00 175.10 174.61 3h8i s LYS 31 N 1.64 1.49 -0.12 2.72 2.20 -0.47 -1.05 119.74 126.15 3h8i s LYS 31 Ca 0.07 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3h8i s LYS 31 Cb -0.15 -1.37 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 3h8i s LYS 31 CO 0.06 0.29 -0.07 0.08 -0.36 0.00 0.00 175.35 175.35 3h8i s VAL 32 N -0.17 3.64 -0.21 4.02 1.01 -0.38 -0.15 120.40 128.15 3h8i s VAL 32 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3h8i s VAL 32 Cb -0.09 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.77 3h8i s VAL 32 CO 0.01 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 3h8i s ILE 33 N 0.00 2.55 0.04 2.22 1.01 -0.20 -0.27 121.20 126.55 3h8i s ILE 33 Ca -0.01 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3h8i s ILE 33 Cb -0.14 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3h8i s ILE 33 CO 0.03 0.38 -0.15 0.21 0.00 0.00 0.00 174.94 175.41 3h8i s ASN 34 N 1.32 1.80 0.07 3.58 2.47 -0.97 -1.09 114.94 122.12 3h8i s ASN 34 Ca 0.03 -0.46 0.11 0.00 0.42 0.00 0.00 52.86 52.95 3h8i s ASN 34 Cb -0.15 -0.12 0.49 0.00 -1.45 0.00 0.00 41.25 40.02 3h8i s ASN 34 CO -0.08 0.06 1.34 2.29 -3.72 0.00 0.00 177.10 176.99 3h8i n LYS 35 N 1.90 0.04 -3.97 0.43 2.85 -0.98 -0.72 118.16 117.72 3h8i n LYS 35 Ca -0.18 0.41 -0.08 0.00 -1.05 0.00 0.00 58.31 57.41 3h8i n LYS 35 Cb 0.54 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 3h8i n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3h8i s SER 36 N -3.26 0.27 0.20 -5.58 1.04 -1.26 -4.63 113.70 100.48 3h8i s SER 36 Ca 0.03 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 55.78 3h8i s SER 36 Cb 0.06 0.24 0.11 0.00 0.10 0.00 0.00 66.02 66.53 3h8i s SER 36 CO 0.17 -0.58 1.46 -0.09 0.98 0.00 0.00 173.24 175.18 3h8i h ARG 37 N 3.32 0.20 -6.32 4.02 2.43 -1.95 -3.45 114.38 112.62 3h8i h ARG 37 Ca -0.33 -0.18 -0.67 0.00 -0.81 0.00 0.00 59.98 57.99 3h8i h ARG 37 Cb 1.17 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 30.62 3h8i h ARG 37 CO 0.57 0.86 -0.69 -0.06 -1.51 0.00 0.00 179.97 179.14 3h8i s PHE 38 N -3.45 2.92 -0.12 2.20 0.08 -1.26 -0.80 117.98 117.55 3h8i s PHE 38 Ca -0.03 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.00 3h8i s PHE 38 Cb 0.11 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 3h8i s PHE 38 CO 0.81 0.42 -0.17 -1.12 -0.10 0.00 0.00 175.22 175.06 3h8i s SER 39 N -1.78 2.69 -0.10 1.36 0.01 -0.36 -4.97 113.70 110.55 3h8i s SER 39 Ca 0.20 -0.49 -0.03 0.00 1.31 0.00 0.00 55.95 56.94 3h8i s SER 39 Cb -0.11 -1.22 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 3h8i s SER 39 CO 0.12 0.03 0.02 -0.31 0.41 0.00 0.00 173.24 173.51 3h8i s TYR 40 N 1.00 3.22 -0.36 2.43 1.51 -1.26 -0.85 117.35 123.05 3h8i s TYR 40 Ca -0.05 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 3h8i s TYR 40 Cb -0.15 -1.84 0.11 0.00 -0.11 0.00 0.00 41.96 39.97 3h8i s TYR 40 CO -0.03 0.46 0.12 -0.06 -1.11 0.00 0.00 175.55 174.93 3h8i s PHE 41 N -0.76 2.52 0.00 2.71 0.40 0.19 -4.97 117.98 118.07 3h8i s PHE 41 Ca 0.12 -2.37 0.00 0.00 -0.60 0.00 0.00 56.93 54.08 3h8i s PHE 41 Cb -0.12 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.20 3h8i s PHE 41 CO 0.02 -0.87 0.00 0.54 0.70 0.00 0.00 175.22 175.61 3h8i n ARG 42 N 4.29 3.64 -4.34 0.44 1.74 -1.26 -1.88 116.66 119.29 3h8i n ARG 42 Ca 0.02 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 3h8i n ARG 42 Cb 0.40 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.75 3h8i n ARG 42 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3h8i s PRO 43 N 2.55 2.86 0.18 5.56 0.02 -1.26 -4.94 135.00 139.98 3h8i s PRO 43 Ca 0.00 -0.52 -0.24 0.00 0.02 0.00 0.00 61.00 60.26 3h8i s PRO 43 Cb 0.00 -2.71 0.08 0.00 0.02 0.00 0.00 34.50 31.89 3h8i s PRO 43 CO 0.00 0.66 1.56 0.00 -0.33 0.00 0.00 177.00 178.89 3h8i h ALA 44 N 4.72 -0.21 -4.27 -1.55 0.00 -1.99 -3.40 119.26 112.57 3h8i h ALA 44 Ca -0.50 0.16 -0.67 0.00 0.00 0.00 0.00 54.91 53.90 3h8i h ALA 44 Cb 1.18 1.02 -0.26 0.00 0.00 0.00 0.00 17.79 19.73 3h8i h ALA 44 CO 0.56 -0.78 -0.87 -0.51 0.00 0.00 0.00 179.25 177.64 3h8i s LEU 45 N -10.68 2.16 1.21 0.00 1.43 -1.26 -4.99 118.68 106.56 3h8i s LEU 45 Ca -0.14 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 3h8i s LEU 45 Cb 0.15 -1.23 0.29 0.00 0.03 0.00 0.00 46.19 45.43 3h8i s LEU 45 CO 0.67 0.24 1.05 -2.16 0.23 0.00 0.00 176.35 176.38 3h8i s PRO 46 N -1.21 -1.30 -0.73 1.29 0.04 -1.26 -5.01 135.00 126.82 3h8i s PRO 46 Ca 0.11 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.42 3h8i s PRO 46 Cb -0.10 -1.56 0.19 0.00 0.04 0.00 0.00 34.50 33.07 3h8i s PRO 46 CO 0.02 -3.83 0.59 1.58 0.04 0.00 0.00 177.00 175.40 3h8i n HIS 47 N -4.90 3.46 -1.75 0.56 -0.00 -1.26 -5.03 115.22 106.30 3h8i n HIS 47 Ca 0.10 -4.25 -0.23 0.00 0.46 0.00 0.00 57.72 53.80 3h8i n HIS 47 Cb 0.58 -0.70 -0.05 0.00 -0.12 0.00 0.00 29.99 29.70 3h8i n HIS 47 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3h8i s VAL 48 N -1.65 3.17 0.08 3.57 0.11 -1.26 -4.70 120.40 119.72 3h8i s VAL 48 Ca 0.28 -0.09 0.10 0.00 -2.93 0.00 0.00 61.98 59.34 3h8i s VAL 48 Cb -0.01 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 3h8i s VAL 48 CO -0.14 -0.38 -0.25 0.00 -3.33 0.00 0.00 175.10 171.01 3h8i s ALA 49 N 12.46 2.38 -0.38 1.54 0.00 -1.26 -4.79 121.76 131.71 3h8i s ALA 49 Ca 0.84 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 3h8i s ALA 49 Cb -0.12 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3h8i s ALA 49 CO 0.10 0.55 1.70 0.42 0.00 0.00 0.00 175.76 178.52 3h8i s ILE 50 N -0.95 3.58 -1.78 0.00 1.09 -1.26 -3.09 121.20 118.79 3h8i s ILE 50 Ca 0.13 0.57 0.00 0.00 -1.10 0.00 0.00 60.65 60.26 3h8i s ILE 50 Cb -0.10 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 3h8i s ILE 50 CO 0.05 -0.56 0.00 0.61 -0.10 0.00 0.00 174.94 174.94 3h8i n GLY 51 N 5.36 1.66 2.64 6.18 0.00 -1.26 -4.97 105.19 114.79 3h8i n GLY 51 Ca 0.21 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3h8i n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h8i s VAL 52 N -2.63 0.55 -0.63 1.61 1.01 -1.18 -5.09 120.40 114.05 3h8i s VAL 52 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 3h8i s VAL 52 Cb 0.00 -1.42 0.15 0.00 0.00 0.00 0.00 36.38 35.10 3h8i s VAL 52 CO 0.00 -0.76 0.61 -0.60 0.00 0.00 0.00 175.10 174.35 3h8i s ARG 53 N 1.54 3.16 -0.72 2.72 3.52 -1.26 -4.13 118.95 123.77 3h8i s ARG 53 Ca 0.12 -1.84 -0.24 0.00 -0.13 0.00 0.00 55.73 53.63 3h8i s ARG 53 Cb -0.19 -4.34 0.05 0.00 -1.56 0.00 0.00 34.95 28.92 3h8i s ARG 53 CO -0.22 -1.36 1.14 0.34 -0.81 0.00 0.00 175.30 174.38 3h8i s ASP 54 N 3.26 6.20 0.11 -2.12 -1.08 -1.26 -5.02 116.67 116.76 3h8i s ASP 54 Ca 0.08 -0.81 -0.26 0.00 -0.52 0.00 0.00 52.55 51.04 3h8i s ASP 54 Cb -0.24 -2.49 -0.07 0.00 -1.46 0.00 0.00 42.92 38.67 3h8i s ASP 54 CO 0.00 -1.61 0.81 -0.69 0.52 0.00 0.00 175.17 174.20 3h8i s VAL 55 N 4.81 4.52 -0.48 1.11 1.01 -1.26 -4.89 120.40 125.23 3h8i s VAL 55 Ca 0.30 1.75 0.05 0.00 0.00 0.00 0.00 61.98 64.08 3h8i s VAL 55 Cb -0.12 -4.17 0.24 0.00 0.00 0.00 0.00 36.38 32.34 3h8i s VAL 55 CO 0.11 0.43 0.91 -0.67 0.00 0.00 0.00 175.10 175.87 3h8i n ASP 56 N 2.26 -2.81 -4.63 3.32 2.03 -1.26 -5.14 116.55 110.32 3h8i n ASP 56 Ca -0.03 -3.20 -0.34 0.00 0.52 0.00 0.00 54.79 51.74 3h8i n ASP 56 Cb 0.49 1.76 -0.10 0.00 -0.72 0.00 0.00 41.12 42.55 3h8i n ASP 56 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3h8i s GLU 57 N 0.67 3.08 -0.26 -0.67 -1.05 -1.26 -4.46 118.70 114.74 3h8i s GLU 57 Ca 0.32 -0.45 -0.09 0.00 -0.15 0.00 0.00 54.97 54.59 3h8i s GLU 57 Cb 0.22 -2.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.09 3h8i s GLU 57 CO -0.23 0.60 0.14 -1.17 0.95 0.00 0.00 175.26 175.55 3h8i s LEU 58 N -0.62 3.79 -0.27 1.83 2.96 -0.78 -4.96 118.68 120.62 3h8i s LEU 58 Ca 0.10 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3h8i s LEU 58 Cb -0.12 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.56 3h8i s LEU 58 CO 0.02 -0.03 0.01 -0.75 -1.32 0.00 0.00 176.35 174.27 3h8i s LYS 59 N 1.64 2.91 -0.16 1.98 2.20 -1.26 -0.63 119.74 126.41 3h8i s LYS 59 Ca 0.07 -0.95 -0.08 0.00 -0.36 0.00 0.00 55.97 54.64 3h8i s LYS 59 Cb -0.15 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3h8i s LYS 59 CO 0.08 -0.44 0.13 0.08 -0.36 0.00 0.00 175.35 174.83 3h8i s VAL 60 N 1.39 5.39 -0.50 4.02 1.01 -0.03 -4.96 120.40 126.73 3h8i s VAL 60 Ca 0.01 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.03 3h8i s VAL 60 Cb -0.17 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 32.93 3h8i s VAL 60 CO -0.01 0.53 0.42 -0.62 0.00 0.00 0.00 175.10 175.41 3h8i s ASP 61 N -0.29 5.95 0.45 3.32 -1.08 -1.26 -1.22 116.67 122.54 3h8i s ASP 61 Ca 0.11 -1.82 0.14 0.00 -0.52 0.00 0.00 52.55 50.46 3h8i s ASP 61 Cb -0.12 -2.11 1.08 0.00 -1.46 0.00 0.00 42.92 40.31 3h8i s ASP 61 CO 0.01 -0.77 2.01 -0.07 0.52 0.00 0.00 175.17 176.87 3h8i h LEU 62 N 8.67 0.30 -1.40 -1.34 3.38 -1.33 0.22 115.31 123.82 3h8i h LEU 62 Ca -0.26 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3h8i h LEU 62 Cb 1.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3h8i h LEU 62 CO 0.95 0.19 -0.03 0.77 0.09 0.00 0.00 178.44 180.40 3h8i h SER 63 N 0.33 0.33 0.01 -0.43 4.64 -1.93 -2.14 113.55 114.37 3h8i h SER 63 Ca 0.22 -0.05 -0.41 0.00 -0.47 0.00 0.00 61.79 61.08 3h8i h SER 63 Cb 0.45 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 3h8i h SER 63 CO -0.05 0.42 -2.45 -0.62 -0.87 0.00 0.00 176.83 173.25 3h8i n GLU 64 N -4.32 0.64 -0.27 4.77 1.02 -0.79 -4.28 120.64 117.41 3h8i n GLU 64 Ca 0.00 0.19 -0.06 0.00 -0.02 0.00 0.00 57.16 57.28 3h8i n GLU 64 Cb 0.22 -1.53 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 3h8i n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h8i h ALA 65 N -0.27 0.97 0.23 0.62 0.00 -0.65 -3.02 119.26 117.14 3h8i h ALA 65 Ca -0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 3h8i h ALA 65 Cb 1.82 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3h8i h ALA 65 CO -0.17 0.58 -0.11 -0.07 0.00 0.00 0.00 179.25 179.48 3h8i h LEU 66 N 1.07 -0.26 -0.74 0.00 3.38 -1.59 -3.26 115.31 113.91 3h8i h LEU 66 Ca 0.25 -0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3h8i h LEU 66 Cb 0.20 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3h8i h LEU 66 CO -0.02 0.23 0.29 -0.65 0.09 0.00 0.00 178.44 178.37 3h8i h PRO 67 N -0.87 0.42 0.00 1.13 0.11 -1.22 0.37 132.00 131.94 3h8i h PRO 67 Ca -0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3h8i h PRO 67 Cb 0.51 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3h8i h PRO 67 CO 0.05 0.28 0.36 -1.91 -0.21 0.00 0.00 178.00 176.57 3h8i n GLU 68 N -5.01 0.03 -0.00 1.05 4.07 -1.14 0.18 120.64 119.82 3h8i n GLU 68 Ca 0.14 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 3h8i n GLU 68 Cb 0.41 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 3h8i n GLU 68 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3h8i n LYS 69 N -1.58 2.89 -1.20 5.31 4.76 0.12 -4.97 118.16 123.50 3h8i n LYS 69 Ca -0.00 -1.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.95 3h8i n LYS 69 Cb 0.37 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 3h8i n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h8i n GLY 70 N -0.50 0.48 3.28 0.72 0.00 0.48 -4.85 105.19 104.79 3h8i n GLY 70 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3h8i n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8i s ILE 71 N -2.00 2.78 0.69 -0.61 1.01 -0.87 -4.63 121.20 117.57 3h8i s ILE 71 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3h8i s ILE 71 Cb 0.00 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.28 3h8i s ILE 71 CO 0.00 0.50 1.06 -1.10 0.00 0.00 0.00 174.94 175.40 3h8i s GLN 72 N 0.88 3.03 -0.02 2.79 -0.21 -0.21 -1.09 119.66 124.83 3h8i s GLN 72 Ca -0.04 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.17 3h8i s GLN 72 Cb -0.15 -2.01 0.02 0.00 1.00 0.00 0.00 33.01 31.87 3h8i s GLN 72 CO -0.01 -1.00 0.01 0.12 -2.12 0.00 0.00 175.29 172.29 3h8i s PHE 73 N -3.12 0.11 -0.07 0.91 5.36 -1.26 -1.26 117.98 118.66 3h8i s PHE 73 Ca 0.57 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.59 3h8i s PHE 73 Cb -0.13 -0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.36 3h8i s PHE 73 CO 0.54 -0.07 -0.04 -1.14 -1.46 0.00 0.00 175.22 173.06 3h8i s GLN 74 N 0.68 0.94 -0.07 10.12 2.00 0.63 -4.94 119.66 129.02 3h8i s GLN 74 Ca -0.06 -0.08 -0.24 0.00 -2.00 0.00 0.00 55.36 52.98 3h8i s GLN 74 Cb -0.09 -1.07 -0.03 0.00 0.80 0.00 0.00 33.01 32.62 3h8i s GLN 74 CO -0.02 -0.19 0.74 -2.00 -0.50 0.00 0.00 175.29 173.33 3h8i s GLU 75 N 1.42 4.43 0.00 1.67 2.12 -1.26 -2.29 118.70 124.79 3h8i s GLU 75 Ca -0.03 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.25 3h8i s GLU 75 Cb -0.13 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.79 3h8i s GLU 75 CO -0.03 0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 3h8i n GLY 76 N 3.13 0.76 3.37 -1.50 0.00 0.11 -4.33 105.19 106.72 3h8i n GLY 76 Ca 0.00 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3h8i n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h8i s THR 77 N -2.00 4.86 0.17 2.61 2.01 0.53 -2.31 115.64 121.52 3h8i s THR 77 Ca 0.00 -1.03 -0.34 0.00 0.31 0.00 0.00 61.69 60.63 3h8i s THR 77 Cb 0.00 -3.85 -0.14 0.00 0.01 0.00 0.00 72.50 68.52 3h8i s THR 77 CO 0.00 -0.45 1.55 0.52 -0.69 0.00 0.00 174.62 175.56 3h8i n VAL 78 N 5.09 0.10 -0.05 3.82 0.31 -1.26 -1.41 118.33 124.93 3h8i n VAL 78 Ca -0.11 -0.03 -0.02 0.00 -0.01 0.00 0.00 64.34 64.17 3h8i n VAL 78 Cb 0.45 -1.51 -0.12 0.00 -0.91 0.00 0.00 33.84 31.75 3h8i n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h8i n GLU 79 N 3.23 1.20 -3.59 5.55 -0.58 0.61 -4.72 120.64 122.34 3h8i n GLU 79 Ca 0.16 -0.05 -0.04 0.00 -0.42 0.00 0.00 57.16 56.81 3h8i n GLU 79 Cb 0.29 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3h8i n GLU 79 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3h8i s LYS 80 N -2.62 0.32 -0.13 3.49 -2.85 -1.16 -4.55 119.74 112.25 3h8i s LYS 80 Ca -0.07 -0.12 0.03 0.00 -1.00 0.00 0.00 55.97 54.81 3h8i s LYS 80 Cb 0.06 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 3h8i s LYS 80 CO 0.63 -0.14 -0.22 0.42 0.10 0.00 0.00 175.35 176.14 3h8i s ILE 81 N -2.44 2.12 -0.79 3.79 1.01 -1.26 -1.45 121.20 122.18 3h8i s ILE 81 Ca 0.09 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 3h8i s ILE 81 Cb -0.01 -1.83 0.21 0.00 0.01 0.00 0.00 42.46 40.84 3h8i s ILE 81 CO -0.05 0.55 0.72 -0.62 0.00 0.00 0.00 174.94 175.54 3h8i s ASP 82 N 0.62 6.56 0.43 3.58 2.15 0.46 -1.88 116.67 128.58 3h8i s ASP 82 Ca -0.12 -2.67 0.10 0.00 0.43 0.00 0.00 52.55 50.29 3h8i s ASP 82 Cb -0.16 -2.17 0.92 0.00 -0.30 0.00 0.00 42.92 41.21 3h8i s ASP 82 CO 0.03 -0.56 2.03 0.00 -0.17 0.00 0.00 175.17 176.50 3h8i h ALA 83 N 7.74 1.71 -0.45 3.66 0.00 -1.94 0.19 119.26 130.17 3h8i h ALA 83 Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3h8i h ALA 83 Cb 1.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3h8i h ALA 83 CO 0.76 0.24 0.03 0.87 0.00 0.00 0.00 179.25 181.15 3h8i h LYS 84 N 0.34 0.78 -0.48 0.00 1.57 -1.96 -2.99 116.57 113.82 3h8i h LYS 84 Ca 0.08 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3h8i h LYS 84 Cb 0.09 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3h8i h LYS 84 CO -0.01 0.82 0.00 -1.13 -0.57 0.00 0.00 179.45 178.56 3h8i n SER 85 N -4.42 3.56 -3.82 0.86 3.41 -1.10 -4.97 113.62 107.14 3h8i n SER 85 Ca 0.00 -1.99 -0.25 0.00 -0.26 0.00 0.00 58.87 56.37 3h8i n SER 85 Cb 0.28 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.92 3h8i n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3h8i n SER 86 N 1.52 -1.43 -4.25 4.04 7.64 0.55 -4.89 113.62 116.80 3h8i n SER 86 Ca 0.21 -0.95 -0.28 0.00 1.01 0.00 0.00 58.87 58.86 3h8i n SER 86 Cb 0.61 -3.44 -0.16 0.00 -1.01 0.00 0.00 64.21 60.21 3h8i n SER 86 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3h8i s MET 87 N -6.26 1.79 -0.31 1.43 -1.94 -0.61 -2.07 119.30 111.33 3h8i s MET 87 Ca 0.08 -0.80 -0.04 0.00 -1.71 0.00 0.00 55.69 53.22 3h8i s MET 87 Cb -0.03 -1.73 0.04 0.00 2.01 0.00 0.00 34.83 35.11 3h8i s MET 87 CO 0.86 0.48 0.05 0.08 -0.01 0.00 0.00 175.02 176.47 3h8i s VAL 88 N -0.53 3.46 -0.04 -6.03 1.01 -0.67 -0.41 120.40 117.21 3h8i s VAL 88 Ca 0.09 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 3h8i s VAL 88 Cb -0.09 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3h8i s VAL 88 CO -0.01 -0.07 0.57 -0.31 0.00 0.00 0.00 175.10 175.28 3h8i s TYR 89 N 1.36 3.63 0.05 5.22 1.51 -0.53 -1.93 117.35 126.67 3h8i s TYR 89 Ca -0.02 1.13 -0.19 0.00 -1.01 0.00 0.00 57.07 56.98 3h8i s TYR 89 Cb -0.19 -2.60 0.04 0.00 -0.11 0.00 0.00 41.96 39.10 3h8i s TYR 89 CO 0.01 0.29 0.44 1.52 -1.11 0.00 0.00 175.55 176.70 3h8i s TYR 90 N 0.06 -0.30 -0.17 2.71 -0.85 -0.46 -0.28 117.35 118.06 3h8i s TYR 90 Ca 0.30 0.27 -0.09 0.00 -0.52 0.00 0.00 57.07 57.02 3h8i s TYR 90 Cb -0.17 0.25 -0.05 0.00 0.38 0.00 0.00 41.96 42.37 3h8i s TYR 90 CO 0.16 -0.60 0.15 0.99 -1.52 0.00 0.00 175.55 174.72 3h8i s THR 91 N -2.55 5.43 0.64 -3.49 2.01 -0.50 -1.11 115.64 116.07 3h8i s THR 91 Ca -0.05 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 3h8i s THR 91 Cb -0.01 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 69.06 3h8i s THR 91 CO -0.03 0.49 0.98 -0.54 -0.69 0.00 0.00 174.62 174.83 3h8i s LYS 92 N -0.08 2.84 0.26 4.92 1.02 0.85 -0.35 119.74 129.20 3h8i s LYS 92 Ca 0.11 0.14 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 3h8i s LYS 92 Cb -0.12 -2.18 0.42 0.00 -0.52 0.00 0.00 37.83 35.44 3h8i s LYS 92 CO 0.00 -0.86 1.84 -1.35 -0.92 0.00 0.00 175.35 174.06 3h8i h PRO 93 N -0.38 0.91 0.00 -1.68 0.11 -1.88 -0.89 132.00 128.20 3h8i h PRO 93 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3h8i h PRO 93 Cb 1.26 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3h8i h PRO 93 CO 0.62 0.60 0.00 -0.40 -0.21 0.00 0.00 178.00 178.61 3h8i n ASP 94 N -4.65 0.00 0.00 -2.05 5.68 -1.26 -4.81 116.55 109.46 3h8i n ASP 94 Ca 0.15 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 3h8i n ASP 94 Cb 0.26 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3h8i n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h8i n GLY 95 N -0.44 1.74 3.75 6.12 0.00 -0.34 -5.06 105.19 110.97 3h8i n GLY 95 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3h8i n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h8i s SER 96 N -1.82 4.41 -0.06 1.61 1.04 -1.26 -4.69 113.70 112.93 3h8i s SER 96 Ca 0.00 1.94 0.03 0.00 0.48 0.00 0.00 55.95 58.40 3h8i s SER 96 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 3h8i s SER 96 CO 0.00 -2.10 -0.14 -0.04 0.98 0.00 0.00 173.24 171.94 3h8i s MET 97 N -4.65 2.59 0.23 4.02 -1.94 -1.26 -0.10 119.30 118.19 3h8i s MET 97 Ca 0.64 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.93 3h8i s MET 97 Cb -0.19 -2.41 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 3h8i s MET 97 CO 0.53 0.58 0.13 0.00 -0.01 0.00 0.00 175.02 176.25 3h8i s ALA 98 N -0.63 1.44 -0.27 3.03 0.00 -0.27 -4.97 121.76 120.10 3h8i s ALA 98 Ca 0.09 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 3h8i s ALA 98 Cb -0.11 1.27 0.08 0.00 0.00 0.00 0.00 23.12 24.35 3h8i s ALA 98 CO 0.01 -0.54 0.66 -1.21 0.00 0.00 0.00 175.76 174.68 3h8i s GLU 99 N -4.06 0.69 -0.02 0.00 8.01 -1.26 -1.36 118.70 120.70 3h8i s GLU 99 Ca 0.38 1.17 0.06 0.00 0.01 0.00 0.00 54.97 56.60 3h8i s GLU 99 Cb 0.07 0.14 -0.01 0.00 -4.31 0.00 0.00 34.13 30.02 3h8i s GLU 99 CO 0.14 -0.15 -0.22 -1.21 0.01 0.00 0.00 175.26 173.83 3h8i s GLU 100 N 1.53 1.88 0.37 1.61 2.02 -0.81 -4.90 118.70 120.40 3h8i s GLU 100 Ca -0.09 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 53.92 3h8i s GLU 100 Cb -0.05 -1.77 -0.10 0.00 0.10 0.00 0.00 34.13 32.31 3h8i s GLU 100 CO -0.18 0.44 0.85 -2.00 0.02 0.00 0.00 175.26 174.39 3h8i s GLU 101 N -0.42 4.16 0.12 1.61 2.12 -1.26 -1.66 118.70 123.36 3h8i s GLU 101 Ca 0.06 0.94 0.04 0.00 0.36 0.00 0.00 54.97 56.36 3h8i s GLU 101 Cb -0.09 -2.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 3h8i s GLU 101 CO -0.00 0.09 -0.10 1.52 -0.54 0.00 0.00 175.26 176.23 3h8i s TYR 102 N -2.03 1.12 -0.13 5.30 -0.85 -0.88 -4.97 117.35 114.92 3h8i s TYR 102 Ca 0.57 -0.72 0.07 0.00 -0.52 0.00 0.00 57.07 56.46 3h8i s TYR 102 Cb -0.10 -0.60 -0.23 0.00 0.38 0.00 0.00 41.96 41.40 3h8i s TYR 102 CO 0.16 0.02 0.33 -0.25 -1.52 0.00 0.00 175.55 174.28 3h8i n ASP 103 N 0.21 1.22 -3.89 -0.18 8.00 -0.17 -4.88 116.55 116.86 3h8i n ASP 103 Ca -0.13 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 3h8i n ASP 103 Cb 0.59 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 3h8i n ASP 103 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h8i s TYR 104 N -2.55 0.04 -0.03 1.24 2.02 -1.09 -4.83 117.35 112.15 3h8i s TYR 104 Ca -0.15 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 3h8i s TYR 104 Cb 0.07 -0.05 -0.00 0.00 -0.40 0.00 0.00 41.96 41.58 3h8i s TYR 104 CO 0.78 -0.12 -0.12 0.54 -1.57 0.00 0.00 175.55 175.06 3h8i s VAL 105 N -0.61 1.02 -0.32 0.71 0.11 -0.78 -1.07 120.40 119.47 3h8i s VAL 105 Ca -0.07 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.47 3h8i s VAL 105 Cb -0.04 -0.89 0.06 0.00 -1.53 0.00 0.00 36.38 33.98 3h8i s VAL 105 CO 0.00 0.30 0.03 -0.63 -3.33 0.00 0.00 175.10 171.47 3h8i s ILE 106 N 0.05 2.93 -0.40 7.04 1.01 0.45 0.02 121.20 132.31 3h8i s ILE 106 Ca -0.02 -1.59 -0.26 0.00 0.00 0.00 0.00 60.65 58.79 3h8i s ILE 106 Cb -0.09 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3h8i s ILE 106 CO 0.01 -0.23 0.94 -0.69 0.00 0.00 0.00 174.94 174.96 3h8i s VAL 107 N 1.20 4.53 -0.15 2.92 1.01 0.29 -0.75 120.40 129.44 3h8i s VAL 107 Ca -0.02 1.08 0.19 0.00 0.00 0.00 0.00 61.98 63.23 3h8i s VAL 107 Cb -0.20 -4.38 0.45 0.00 0.00 0.00 0.00 36.38 32.25 3h8i s VAL 107 CO -0.02 -0.64 1.17 0.61 0.00 0.00 0.00 175.10 176.22 3h8i n GLY 108 N 4.55 2.96 0.34 4.51 0.00 -0.04 -0.23 105.19 117.28 3h8i n GLY 108 Ca 0.07 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.87 3h8i n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h8i n ILE 109 N -0.31 0.23 -4.94 -0.61 -5.35 -1.12 -4.34 119.36 102.91 3h8i n ILE 109 Ca 0.15 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3h8i n ILE 109 Cb 0.93 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3h8i n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h8i n GLY 110 N 0.83 0.85 0.00 3.28 0.00 -1.26 -4.91 105.19 103.98 3h8i n GLY 110 Ca 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3h8i n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8i n ALA 111 N 2.73 0.00 -2.95 4.61 0.00 -1.26 -3.74 120.51 119.89 3h8i n ALA 111 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3h8i n ALA 111 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3h8i n ALA 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h8i s HIS 112 N 2.41 -0.00 -0.62 0.00 2.46 0.88 -4.38 115.29 116.04 3h8i s HIS 112 Ca 0.00 0.02 -0.14 0.00 0.47 0.00 0.00 55.06 55.41 3h8i s HIS 112 Cb 0.00 -0.02 0.16 0.00 -0.13 0.00 0.00 32.58 32.59 3h8i s HIS 112 CO 0.00 -0.08 0.56 -0.51 -2.47 0.00 0.00 174.74 172.24 3h8i s LEU 113 N -0.32 6.25 -0.51 8.88 1.43 -1.26 -1.21 118.68 131.94 3h8i s LEU 113 Ca -0.04 -2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 50.88 3h8i s LEU 113 Cb -0.02 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 3h8i s LEU 113 CO 0.00 -0.72 1.93 0.00 0.23 0.00 0.00 176.35 177.79 3h8i n ALA 114 N 4.72 3.89 0.07 4.21 0.00 0.71 -4.53 120.51 129.58 3h8i n ALA 114 Ca -0.03 -1.38 0.09 0.00 0.00 0.00 0.00 53.44 52.11 3h8i n ALA 114 Cb 0.42 -2.70 0.55 0.00 0.00 0.00 0.00 19.45 17.72 3h8i n ALA 114 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3h8i h THR 115 N 3.20 0.98 -0.05 0.00 1.35 -1.93 -0.79 112.91 115.67 3h8i h THR 115 Ca 0.30 -0.09 0.01 0.00 -0.55 0.00 0.00 66.41 66.09 3h8i h THR 115 Cb 0.32 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3h8i h THR 115 CO 1.04 0.05 0.11 1.05 -0.25 0.00 0.00 175.52 177.52 3h8i h GLU 116 N 0.26 0.00 0.00 4.72 9.09 -1.98 -0.16 114.58 126.51 3h8i h GLU 116 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 3h8i h GLU 116 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3h8i h GLU 116 CO -0.03 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.31 3h8i n LEU 117 N -3.39 0.00 -4.10 3.06 4.77 -0.30 -4.61 117.00 112.43 3h8i n LEU 117 Ca -0.02 0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3h8i n LEU 117 Cb 0.19 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 3h8i n LEU 117 CO 0.22 -0.00 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.33 3h8i s VAL 118 N -2.05 2.90 0.26 4.08 1.01 -0.07 -4.82 120.40 121.70 3h8i s VAL 118 Ca 0.46 -1.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.13 3h8i s VAL 118 Cb 0.21 -2.95 -0.13 0.00 0.00 0.00 0.00 36.38 33.52 3h8i s VAL 118 CO 0.37 -0.53 1.51 1.17 0.00 0.00 0.00 175.10 177.63 3h8i n LYS 119 N 4.50 2.36 -0.82 2.72 4.81 -0.94 -1.77 118.16 129.01 3h8i n LYS 119 Ca -0.03 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3h8i n LYS 119 Cb 0.42 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.90 3h8i n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h8i n GLY 120 N 2.32 0.76 0.18 3.14 0.00 -1.26 -0.14 105.19 110.18 3h8i n GLY 120 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3h8i n GLY 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3h8i h TRP 121 N 0.00 -0.35 -0.61 1.61 2.91 -1.62 0.19 115.95 118.09 3h8i h TRP 121 Ca 0.00 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 3h8i h TRP 121 Cb 0.00 0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.73 3h8i h TRP 121 CO 0.00 -0.21 0.31 -0.44 -1.03 0.00 0.00 178.44 177.07 3h8i h ASP 122 N -0.31 0.43 -0.03 2.65 3.32 -1.92 0.10 116.42 120.65 3h8i h ASP 122 Ca -0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3h8i h ASP 122 Cb 0.28 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3h8i h ASP 122 CO -0.02 0.28 -0.01 0.11 -1.72 0.00 0.00 179.24 177.88 3h8i h LYS 123 N 0.57 0.07 0.00 3.56 1.57 -1.90 -3.40 116.57 117.04 3h8i h LYS 123 Ca 0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3h8i h LYS 123 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h8i h LYS 123 CO -0.20 0.46 -0.01 0.66 -0.57 0.00 0.00 179.45 179.79 3h8i n TYR 124 N -4.84 0.00 -3.13 -1.35 4.02 0.03 -5.08 117.16 106.81 3h8i n TYR 124 Ca -0.08 -0.41 -0.35 0.00 -0.01 0.00 0.00 57.90 57.05 3h8i n TYR 124 Cb 0.23 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 3h8i n TYR 124 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3h8i s GLY 125 N -0.88 2.54 -0.23 2.72 0.00 0.02 -4.57 107.32 106.93 3h8i s GLY 125 Ca 0.01 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.86 3h8i s GLY 125 CO 0.00 0.43 -0.10 -0.19 0.00 0.00 0.00 173.10 173.25 3h8i s TYR 126 N -1.61 2.68 0.03 1.90 1.51 -0.99 -4.96 117.35 115.91 3h8i s TYR 126 Ca 0.45 -1.86 -0.05 0.00 -1.01 0.00 0.00 57.07 54.59 3h8i s TYR 126 Cb -0.15 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 3h8i s TYR 126 CO 0.20 -0.80 0.27 0.45 -1.11 0.00 0.00 175.55 174.56 3h8i s SER 127 N 1.30 6.47 0.17 2.29 0.15 -1.26 -0.93 113.70 121.89 3h8i s SER 127 Ca -0.05 0.52 0.23 0.00 0.70 0.00 0.00 55.95 57.35 3h8i s SER 127 Cb -0.18 -2.07 0.09 0.00 -1.71 0.00 0.00 66.02 62.15 3h8i s SER 127 CO -0.07 0.22 1.11 1.62 1.20 0.00 0.00 173.24 177.32 3h8i h VAL 128 N 2.81 0.00 -0.43 4.45 3.04 -1.90 -3.36 116.25 120.85 3h8i h VAL 128 Ca -0.49 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.37 3h8i h VAL 128 Cb 1.19 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 3h8i h VAL 128 CO 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.24 3h8i s GLU 130 N -1.14 4.06 0.00 0.00 0.41 -1.26 -5.05 118.70 115.72 3h8i s GLU 130 Ca 0.34 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 3h8i s GLU 130 Cb 0.19 -3.56 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3h8i s GLU 130 CO 0.25 0.02 0.06 -0.35 -0.49 0.00 0.00 175.26 174.75 3h8i n PRO 131 N 4.41 0.00 -1.08 0.39 -0.04 -1.26 -2.04 135.00 135.37 3h8i n PRO 131 Ca -0.14 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 3h8i n PRO 131 Cb 0.52 -0.29 0.13 0.00 -0.04 0.00 0.00 33.50 33.82 3h8i n PRO 131 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3h8i n GLU 132 N -0.19 2.16 -0.07 0.54 -0.58 -1.26 -3.51 120.64 117.73 3h8i n GLU 132 Ca 0.00 -2.60 -0.04 0.00 -0.42 0.00 0.00 57.16 54.10 3h8i n GLU 132 Cb 0.00 -2.02 -0.15 0.00 -0.57 0.00 0.00 31.44 28.70 3h8i n GLU 132 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3h8i n PHE 133 N -0.78 0.00 1.76 -0.32 -0.00 -0.87 -3.97 117.46 113.28 3h8i n PHE 133 Ca 0.51 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 58.11 3h8i n PHE 133 Cb 1.23 -0.80 0.85 0.00 -0.00 0.00 0.00 39.48 40.76 3h8i n PHE 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3h8i n ALA 134 N -2.56 2.56 -0.02 3.13 0.00 -0.93 -2.20 120.51 120.49 3h8i n ALA 134 Ca -0.23 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 3h8i n ALA 134 Cb 0.95 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 3h8i n ALA 134 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3h8i n THR 135 N -1.05 1.74 -0.29 0.00 -1.04 -1.25 -3.21 114.28 109.18 3h8i n THR 135 Ca 0.21 -0.62 0.07 0.00 -2.04 0.00 0.00 64.05 61.67 3h8i n THR 135 Cb 0.12 -1.70 0.29 0.00 -1.82 0.00 0.00 70.33 67.22 3h8i n THR 135 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3h8i h LYS 136 N 0.02 0.87 0.14 -2.82 3.64 -1.58 -2.06 116.57 114.77 3h8i h LYS 136 Ca -0.45 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3h8i h LYS 136 Cb 1.99 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3h8i h LYS 136 CO 0.05 0.57 -0.07 1.25 -2.27 0.00 0.00 179.45 178.98 3h8i h LEU 137 N 0.89 -0.16 -0.60 5.20 5.85 -1.63 -2.07 115.31 122.78 3h8i h LEU 137 Ca 0.42 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.96 3h8i h LEU 137 Cb 0.42 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 3h8i h LEU 137 CO -0.18 0.24 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.99 3h8i h ARG 138 N -0.60 0.05 -0.67 1.25 2.43 -1.37 0.32 114.38 115.78 3h8i h ARG 138 Ca -0.02 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3h8i h ARG 138 Cb 0.46 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3h8i h ARG 138 CO 0.03 0.03 0.21 0.93 -1.51 0.00 0.00 179.97 179.66 3h8i h GLU 139 N 0.05 1.04 -0.54 0.20 5.08 -1.43 -2.71 114.58 116.27 3h8i h GLU 139 Ca 0.30 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3h8i h GLU 139 Cb 0.47 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3h8i h GLU 139 CO -0.57 0.90 0.15 -0.22 -1.00 0.00 0.00 179.01 178.27 3h8i h LYS 140 N 0.98 0.86 -0.21 2.33 1.63 -0.37 -2.87 116.57 118.92 3h8i h LYS 140 Ca 0.22 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 3h8i h LYS 140 Cb 0.30 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 3h8i h LYS 140 CO -0.01 0.80 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.58 3h8i h LEU 141 N 0.76 0.34 -0.08 5.20 3.38 -0.27 -1.85 115.31 122.79 3h8i h LEU 141 Ca 0.17 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 3h8i h LEU 141 Cb 0.32 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.99 3h8i h LEU 141 CO -0.00 0.51 -1.02 1.05 0.09 0.00 0.00 178.44 179.07 3h8i h GLU 142 N 0.33 0.48 -0.00 1.13 4.11 -1.43 -3.18 114.58 116.02 3h8i h GLU 142 Ca 0.06 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3h8i h GLU 142 Cb 0.46 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3h8i h GLU 142 CO 0.03 1.19 -0.02 -1.13 0.07 0.00 0.00 179.01 179.15 3h8i n SER 143 N -3.75 0.04 -4.66 3.06 3.41 -1.09 -4.83 113.62 105.79 3h8i n SER 143 Ca -0.08 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 3h8i n SER 143 Cb 0.88 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3h8i n SER 143 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3h8i s PHE 144 N -2.76 1.46 -0.12 7.33 5.36 -0.71 -4.87 117.98 123.67 3h8i s PHE 144 Ca 0.22 -0.31 0.15 0.00 -0.96 0.00 0.00 56.93 56.03 3h8i s PHE 144 Cb 0.20 -4.17 -0.06 0.00 -0.34 0.00 0.00 43.02 38.65 3h8i s PHE 144 CO 0.50 -5.19 1.13 1.96 -1.46 0.00 0.00 175.22 172.16 3h8i h GLN 145 N 10.30 0.00 0.00 10.12 1.08 -1.90 -3.50 115.11 131.20 3h8i h GLN 145 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3h8i h GLN 145 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3h8i h GLN 145 CO 0.94 0.44 0.00 0.41 -0.95 0.00 0.00 178.83 179.68 3h8i n GLY 146 N 1.32 2.96 0.00 3.46 0.00 -1.26 -4.94 105.19 106.72 3h8i n GLY 146 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3h8i n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8i n GLY 147 N -1.39 0.76 3.75 -0.02 0.00 0.32 -4.95 105.19 103.65 3h8i n GLY 147 Ca 0.00 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 3h8i n GLY 147 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8i s ASN 148 N -4.00 5.71 -0.07 1.61 0.02 -1.26 -0.09 114.94 116.87 3h8i s ASN 148 Ca 0.00 0.26 0.03 0.00 -1.02 0.00 0.00 52.86 52.13 3h8i s ASN 148 Cb 0.00 -1.76 0.01 0.00 0.02 0.00 0.00 41.25 39.52 3h8i s ASN 148 CO 0.00 0.36 -0.16 -0.63 0.02 0.00 0.00 177.10 176.70 3h8i s ILE 149 N -0.77 1.39 -0.12 0.60 1.01 -0.35 0.64 121.20 123.60 3h8i s ILE 149 Ca 0.12 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3h8i s ILE 149 Cb -0.12 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3h8i s ILE 149 CO 0.03 0.41 -0.18 0.00 0.00 0.00 0.00 174.94 175.20 3h8i s ALA 150 N 0.43 2.43 -0.05 9.38 0.00 0.00 -0.61 121.76 133.34 3h8i s ALA 150 Ca -0.12 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3h8i s ALA 150 Cb -0.15 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3h8i s ALA 150 CO 0.04 0.21 -0.09 -1.50 0.00 0.00 0.00 175.76 174.43 3h8i s ILE 151 N 0.43 0.85 -0.48 0.00 2.07 0.18 -0.01 121.20 124.25 3h8i s ILE 151 Ca -0.13 -0.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.79 3h8i s ILE 151 Cb -0.17 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.62 3h8i s ILE 151 CO 0.06 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 3h8i n GLY 152 N 3.81 -1.26 3.43 1.50 0.00 -0.82 -0.78 105.19 111.07 3h8i n GLY 152 Ca -0.23 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 3h8i n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h8i s SER 153 N -3.01 3.35 0.64 1.61 1.04 -1.22 -1.26 113.70 114.85 3h8i s SER 153 Ca 0.00 -0.96 -0.09 0.00 0.48 0.00 0.00 55.95 55.38 3h8i s SER 153 Cb 0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3h8i s SER 153 CO 0.00 0.04 1.00 -0.83 0.98 0.00 0.00 173.24 174.42 3h8i s GLY 154 N -3.16 1.61 0.74 7.32 0.00 0.26 -3.94 107.32 110.16 3h8i s GLY 154 Ca 0.25 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.36 3h8i s GLY 154 CO 0.12 -0.15 1.17 -4.14 0.00 0.00 0.00 173.10 170.10 3h8i s PRO 155 N -5.16 2.13 -0.36 2.90 0.02 -1.26 -4.49 135.00 128.76 3h8i s PRO 155 Ca 0.55 1.62 -0.13 0.00 0.02 0.00 0.00 61.00 63.06 3h8i s PRO 155 Cb -0.11 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 3h8i s PRO 155 CO 0.49 -1.82 0.25 0.12 -0.33 0.00 0.00 177.00 175.72 3h8i s PHE 156 N -2.20 3.23 -1.43 6.54 5.36 0.91 -2.19 117.98 128.21 3h8i s PHE 156 Ca 0.71 -0.41 -0.11 0.00 -0.96 0.00 0.00 56.93 56.16 3h8i s PHE 156 Cb -0.26 -2.51 0.06 0.00 -0.34 0.00 0.00 43.02 39.98 3h8i s PHE 156 CO 0.47 -0.46 2.28 0.66 -1.46 0.00 0.00 175.22 176.70 3h8i n TYR 157 N 5.11 3.08 -2.06 10.12 4.01 0.49 -4.82 117.16 133.09 3h8i n TYR 157 Ca -0.12 -2.93 -0.40 0.00 -0.16 0.00 0.00 57.90 54.29 3h8i n TYR 157 Cb 0.48 -2.31 -0.01 0.00 -0.31 0.00 0.00 39.34 37.20 3h8i n TYR 157 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 3h8i s GLN 158 N 1.81 4.11 0.33 -0.72 0.74 -1.26 -4.61 119.66 120.07 3h8i s GLN 158 Ca 0.50 2.20 -0.05 0.00 0.05 0.00 0.00 55.36 58.05 3h8i s GLN 158 Cb 0.14 -2.88 -0.05 0.00 1.10 0.00 0.00 33.01 31.32 3h8i s GLN 158 CO -0.06 -0.39 0.61 0.20 -0.55 0.00 0.00 175.29 175.11 3h8i s GLY 159 N -0.62 1.79 0.00 2.59 0.00 -1.26 -4.64 107.32 105.17 3h8i s GLY 159 Ca 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3h8i s GLY 159 CO 0.51 -0.40 0.00 1.42 0.00 0.00 0.00 173.10 174.63 3h8i n HIS 160 N -1.21 0.00 -3.77 1.90 -0.00 -1.26 -4.82 115.22 106.07 3h8i n HIS 160 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.58 3h8i n HIS 160 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.41 3h8i n HIS 160 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 3h8i s ASN 161 N -0.47 -0.24 1.04 0.41 -0.87 -1.26 -3.94 114.94 109.61 3h8i s ASN 161 Ca 0.00 0.48 -0.15 0.00 -1.57 0.00 0.00 52.86 51.62 3h8i s ASN 161 Cb 0.00 0.44 0.21 0.00 -0.02 0.00 0.00 41.25 41.88 3h8i s ASN 161 CO 0.00 -0.11 1.14 -2.16 -2.57 0.00 0.00 177.10 173.39 3h8i s PRO 162 N 0.55 0.05 0.22 -0.60 0.04 -1.26 -1.33 135.00 132.67 3h8i s PRO 162 Ca -0.04 0.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.07 3h8i s PRO 162 Cb -0.05 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 3h8i s PRO 162 CO -0.03 -2.91 0.52 0.15 0.04 0.00 0.00 177.00 174.78 3h8i s LYS 163 N -5.30 3.75 0.56 4.56 1.02 -1.25 -4.81 119.74 118.27 3h8i s LYS 163 Ca 0.68 0.19 -0.20 0.00 0.02 0.00 0.00 55.97 56.65 3h8i s LYS 163 Cb -0.13 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.46 3h8i s LYS 163 CO 0.55 0.33 1.21 -2.14 -0.92 0.00 0.00 175.35 174.38 3h8i s PRO 164 N -2.89 3.17 -1.23 -1.68 0.02 -1.26 -4.83 135.00 126.31 3h8i s PRO 164 Ca 0.46 1.84 -0.10 0.00 0.02 0.00 0.00 61.00 63.21 3h8i s PRO 164 Cb -0.11 -2.05 0.19 0.00 0.02 0.00 0.00 34.50 32.54 3h8i s PRO 164 CO 0.23 -1.05 1.65 1.63 -0.33 0.00 0.00 177.00 179.13 3h8i n LYS 165 N -1.31 3.61 -4.20 5.54 5.02 0.22 -4.92 118.16 122.11 3h8i n LYS 165 Ca 0.12 -3.78 -0.12 0.00 -2.02 0.00 0.00 58.31 52.51 3h8i n LYS 165 Cb 0.49 -2.91 -0.10 0.00 -0.02 0.00 0.00 35.03 32.49 3h8i n LYS 165 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3h8i s VAL 166 N 0.43 0.42 1.02 -0.18 -7.23 -1.26 -3.75 120.40 109.85 3h8i s VAL 166 Ca 0.40 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 3h8i s VAL 166 Cb 0.04 -2.07 0.17 0.00 0.56 0.00 0.00 36.38 35.08 3h8i s VAL 166 CO 0.01 -0.49 0.87 -2.65 -0.31 0.00 0.00 175.10 172.53 3h8i n PRO 167 N -0.17 -1.14 -1.86 4.82 -0.02 -1.26 -4.89 135.00 130.48 3h8i n PRO 167 Ca -0.06 -0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 60.73 3h8i n PRO 167 Cb 0.63 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.96 3h8i n PRO 167 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h8i s GLU 168 N -4.28 3.87 -0.54 -0.52 2.02 -1.26 -2.85 118.70 115.15 3h8i s GLU 168 Ca 0.65 2.41 0.00 0.00 0.02 0.00 0.00 54.97 58.04 3h8i s GLU 168 Cb -0.22 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3h8i s GLU 168 CO 0.63 -0.66 0.00 0.09 0.02 0.00 0.00 175.26 175.34 3h8i n ASN 169 N 0.08 -4.60 0.14 -0.19 4.13 -1.26 -4.87 115.26 108.68 3h8i n ASN 169 Ca 0.04 0.13 0.13 0.00 1.68 0.00 0.00 54.58 56.55 3h8i n ASN 169 Cb 0.41 -2.55 0.33 0.00 -1.54 0.00 0.00 39.78 36.43 3h8i n ASN 169 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3h8i h PHE 170 N 0.00 0.00 -3.40 3.10 0.05 -1.87 -3.43 116.94 111.39 3h8i h PHE 170 Ca -0.10 0.00 -0.62 0.00 3.82 0.00 0.00 57.97 61.07 3h8i h PHE 170 Cb 0.66 0.00 -0.37 0.00 2.00 0.00 0.00 35.95 38.24 3h8i h PHE 170 CO 0.35 0.00 -0.81 0.08 -0.18 0.00 0.00 178.31 177.75 3h8i s VAL 171 N -3.14 1.67 0.54 -0.55 1.01 -1.26 -4.68 120.40 113.98 3h8i s VAL 171 Ca 0.09 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 3h8i s VAL 171 Cb 0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3h8i s VAL 171 CO 0.62 0.20 0.90 -2.16 0.00 0.00 0.00 175.10 174.66 3h8i s PRO 172 N 1.39 3.60 -0.20 2.72 0.04 -1.26 -5.04 135.00 136.25 3h8i s PRO 172 Ca -0.01 0.50 -0.14 0.00 0.04 0.00 0.00 61.00 61.39 3h8i s PRO 172 Cb -0.16 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3h8i s PRO 172 CO -0.08 -0.35 0.30 -0.80 0.04 0.00 0.00 177.00 176.11 3h8i s ASN 173 N -4.02 6.35 0.03 6.66 0.01 -1.26 -4.94 114.94 117.78 3h8i s ASN 173 Ca 0.52 0.41 0.03 0.00 -0.71 0.00 0.00 52.86 53.11 3h8i s ASN 173 Cb -0.11 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 3h8i s ASN 173 CO 0.47 0.01 -0.10 0.00 -1.51 0.00 0.00 177.10 175.97 3h8i s ALA 174 N 0.99 0.81 -0.35 0.60 0.00 -1.26 -5.00 121.76 117.55 3h8i s ALA 174 Ca 0.15 -0.64 0.23 0.00 0.00 0.00 0.00 51.96 51.70 3h8i s ALA 174 Cb -0.14 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 22.99 3h8i s ALA 174 CO 0.06 0.13 1.16 -0.44 0.00 0.00 0.00 175.76 176.67 3h8i h ASP 175 N 5.13 0.00 -4.09 0.00 3.32 -1.96 -3.43 116.42 115.38 3h8i h ASP 175 Ca -0.35 -0.05 -0.47 0.00 0.02 0.00 0.00 57.03 56.18 3h8i h ASP 175 Cb 1.19 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.44 3h8i h ASP 175 CO 0.45 0.03 -0.81 -0.55 -1.72 0.00 0.00 179.24 176.64 3h8i s SER 176 N -5.18 1.54 0.01 6.45 0.15 -1.26 -0.06 113.70 115.35 3h8i s SER 176 Ca 0.02 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 3h8i s SER 176 Cb 0.10 -0.23 -0.29 0.00 -1.71 0.00 0.00 66.02 63.89 3h8i s SER 176 CO 0.76 0.15 0.90 0.00 1.20 0.00 0.00 173.24 176.24 3h8i h ALA 177 N 5.94 0.18 -2.65 5.45 0.00 -1.87 -3.43 119.26 122.88 3h8i h ALA 177 Ca -0.33 -1.05 -0.57 0.00 0.00 0.00 0.00 54.91 52.96 3h8i h ALA 177 Cb 1.17 0.25 -0.39 0.00 0.00 0.00 0.00 17.79 18.81 3h8i h ALA 177 CO 0.49 1.05 -0.83 0.00 0.00 0.00 0.00 179.25 179.95 3h8i n GLU 179 N 4.34 0.73 -0.31 0.00 2.13 -1.26 -4.53 120.64 121.74 3h8i n GLU 179 Ca 0.07 0.02 0.18 0.00 0.66 0.00 0.00 57.16 58.09 3h8i n GLU 179 Cb 0.38 -1.51 0.36 0.00 0.27 0.00 0.00 31.44 30.95 3h8i n GLU 179 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3h8i h GLY 180 N 3.52 1.61 2.00 8.31 0.00 -1.95 0.44 103.07 117.00 3h8i h GLY 180 Ca -0.54 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 3h8i h GLY 180 CO 0.01 -0.46 -0.02 -2.55 0.00 0.00 0.00 176.54 173.52 3h8i h PRO 181 N 0.20 0.00 -0.47 4.80 0.11 -1.95 -2.06 132.00 132.63 3h8i h PRO 181 Ca 0.63 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.65 3h8i h PRO 181 Cb 1.37 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 3h8i h PRO 181 CO -0.69 0.02 -0.07 0.28 -0.21 0.00 0.00 178.00 177.34 3h8i h VAL 182 N 0.00 1.27 -0.08 3.15 2.07 -0.39 -1.44 116.25 120.83 3h8i h VAL 182 Ca -0.00 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3h8i h VAL 182 Cb 0.04 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3h8i h VAL 182 CO 0.00 0.40 0.03 0.15 0.02 0.00 0.00 177.57 178.17 3h8i h PHE 183 N 0.72 0.12 0.06 1.57 3.57 -1.40 -1.32 116.94 120.26 3h8i h PHE 183 Ca 0.13 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3h8i h PHE 183 Cb 0.60 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3h8i h PHE 183 CO 0.05 0.25 -0.13 0.93 -2.23 0.00 0.00 178.31 177.17 3h8i h GLU 184 N -0.05 -0.25 -0.79 1.11 5.08 -1.46 -2.02 114.58 116.21 3h8i h GLU 184 Ca 0.02 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3h8i h GLU 184 Cb 0.18 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3h8i h GLU 184 CO -0.00 -0.16 0.52 0.52 -1.00 0.00 0.00 179.01 178.89 3h8i h MET 185 N -0.26 1.04 -0.44 2.33 2.86 -1.23 -0.25 114.93 118.98 3h8i h MET 185 Ca 0.03 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3h8i h MET 185 Cb 0.28 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3h8i h MET 185 CO -0.09 0.69 0.29 0.66 1.06 0.00 0.00 176.91 179.52 3h8i h SER 186 N 1.07 0.51 -0.45 1.22 4.64 -0.84 0.87 113.55 120.57 3h8i h SER 186 Ca 0.29 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 3h8i h SER 186 Cb -0.12 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 3h8i h SER 186 CO -0.06 0.38 -0.15 -0.07 -0.87 0.00 0.00 176.83 176.06 3h8i h LEU 187 N 0.60 0.94 -0.58 5.97 3.38 -0.84 -2.51 115.31 122.26 3h8i h LEU 187 Ca 0.16 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3h8i h LEU 187 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3h8i h LEU 187 CO -0.03 1.08 0.10 0.24 0.09 0.00 0.00 178.44 179.91 3h8i h MET 188 N 0.83 0.96 -0.06 1.13 2.86 -0.62 -2.20 114.93 117.82 3h8i h MET 188 Ca 0.12 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 3h8i h MET 188 Cb 0.69 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3h8i h MET 188 CO 0.05 0.91 -0.29 -0.07 1.06 0.00 0.00 176.91 178.57 3h8i h LEU 189 N 0.86 0.11 -0.37 1.22 3.38 -0.74 -0.74 115.31 119.03 3h8i h LEU 189 Ca 0.18 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3h8i h LEU 189 Cb 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3h8i h LEU 189 CO 0.01 0.40 -0.13 -0.74 0.09 0.00 0.00 178.44 178.07 3h8i h HIS 190 N 0.10 0.85 0.38 1.13 2.76 -1.10 -2.43 115.15 116.84 3h8i h HIS 190 Ca 0.01 -0.20 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 3h8i h HIS 190 Cb 0.57 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.33 3h8i h HIS 190 CO 0.00 0.91 -0.18 0.78 -1.30 0.00 0.00 177.93 178.14 3h8i h GLY 191 N 0.54 -0.54 0.19 5.26 0.00 -0.97 0.82 103.07 108.37 3h8i h GLY 191 Ca 0.09 0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.73 3h8i h GLY 191 CO 0.05 -0.20 0.17 -1.82 0.00 0.00 0.00 176.54 174.74 3h8i h TYR 192 N -0.55 0.28 0.00 5.60 3.20 -1.15 0.23 116.97 124.58 3h8i h TYR 192 Ca -0.05 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3h8i h TYR 192 Cb 0.41 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3h8i h TYR 192 CO -0.04 -0.00 -0.27 0.74 -1.64 0.00 0.00 178.16 176.95 3h8i h PHE 193 N 0.31 0.00 -0.27 -3.82 0.04 -1.34 -2.79 116.94 109.07 3h8i h PHE 193 Ca 0.33 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.92 3h8i h PHE 193 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 3h8i h PHE 193 CO -0.22 0.27 -0.55 -0.22 -0.60 0.00 0.00 178.31 176.98 3h8i h LYS 194 N 0.00 0.85 0.00 1.51 3.64 0.45 0.20 116.57 123.21 3h8i h LYS 194 Ca -0.00 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 3h8i h LYS 194 Cb 1.13 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3h8i h LYS 194 CO 0.04 1.18 -0.13 0.87 -2.27 0.00 0.00 179.45 179.14 3h8i h LYS 195 N 0.62 0.00 -0.49 1.90 1.57 -0.95 -1.08 116.57 118.13 3h8i h LYS 195 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h8i h LYS 195 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3h8i h LYS 195 CO 0.12 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.76 3h8i n LYS 196 N -3.44 2.35 -3.35 3.15 5.02 -1.06 -4.93 118.16 115.90 3h8i n LYS 196 Ca -0.01 -2.07 -0.24 0.00 -2.02 0.00 0.00 58.31 53.96 3h8i n LYS 196 Cb 0.30 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3h8i n LYS 196 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h8i n GLY 197 N 1.44 -0.50 0.69 0.72 0.00 -0.41 -4.88 105.19 102.25 3h8i n GLY 197 Ca 0.20 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.42 3h8i n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h8i n MET 198 N -4.08 1.91 -0.41 1.61 2.00 0.64 -4.67 117.12 114.12 3h8i n MET 198 Ca -0.04 -1.78 0.40 0.00 0.00 0.00 0.00 57.70 56.28 3h8i n MET 198 Cb 0.57 -1.31 0.76 0.00 0.00 0.00 0.00 33.22 33.24 3h8i n MET 198 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3h8i h LEU 199 N 2.68 0.00 0.00 4.03 3.38 -1.85 1.05 115.31 124.59 3h8i h LEU 199 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h8i h LEU 199 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3h8i h LEU 199 CO 0.00 0.00 -0.63 0.44 0.09 0.00 0.00 178.44 178.34 3h8i h ASP 200 N 0.00 0.00 0.73 -0.43 3.32 -1.93 -3.33 116.42 114.78 3h8i h ASP 200 Ca 0.66 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.59 3h8i h ASP 200 Cb 2.70 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 42.23 3h8i h ASP 200 CO -0.01 0.01 -1.33 0.29 -1.72 0.00 0.00 179.24 176.48 3h8i n LYS 201 N -2.71 0.62 -4.91 3.56 5.02 0.35 -4.89 118.16 115.20 3h8i n LYS 201 Ca 0.02 0.13 -0.33 0.00 -2.02 0.00 0.00 58.31 56.12 3h8i n LYS 201 Cb 0.53 -1.78 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 3h8i n LYS 201 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3h8i s VAL 202 N -3.15 2.84 -0.27 -0.18 1.01 -0.44 0.12 120.40 120.33 3h8i s VAL 202 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3h8i s VAL 202 Cb 0.09 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.40 3h8i s VAL 202 CO 0.81 0.55 -0.06 -1.00 0.00 0.00 0.00 175.10 175.41 3h8i s HIS 203 N -0.01 3.03 -0.17 5.22 3.76 0.87 -4.78 115.29 123.22 3h8i s HIS 203 Ca -0.05 -2.26 -0.20 0.00 -0.15 0.00 0.00 55.06 52.41 3h8i s HIS 203 Cb -0.14 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 3h8i s HIS 203 CO 0.04 -0.86 0.59 0.08 -0.85 0.00 0.00 174.74 173.74 3h8i s VAL 204 N 1.17 5.07 -0.13 -0.90 1.01 -1.26 -1.21 120.40 124.15 3h8i s VAL 204 Ca -0.04 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.08 3h8i s VAL 204 Cb -0.19 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 3h8i s VAL 204 CO -0.07 0.18 -0.19 -0.89 0.00 0.00 0.00 175.10 174.14 3h8i s THR 205 N 1.46 2.44 -0.16 3.92 2.01 0.22 -1.16 115.64 124.38 3h8i s THR 205 Ca 0.28 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 3h8i s THR 205 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3h8i s THR 205 CO 0.11 0.54 0.12 -0.69 -0.69 0.00 0.00 174.62 174.00 3h8i s VAL 206 N 0.61 5.29 0.02 3.82 1.01 0.94 -0.65 120.40 131.44 3h8i s VAL 206 Ca -0.10 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3h8i s VAL 206 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3h8i s VAL 206 CO 0.03 0.52 -0.22 0.72 0.00 0.00 0.00 175.10 176.16 3h8i s PHE 207 N -0.27 1.92 -0.02 5.22 -0.12 0.04 -0.78 117.98 123.98 3h8i s PHE 207 Ca 0.10 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 56.67 3h8i s PHE 207 Cb -0.12 -1.19 -0.01 0.00 -0.63 0.00 0.00 43.02 41.07 3h8i s PHE 207 CO 0.01 0.04 -0.21 0.45 -0.05 0.00 0.00 175.22 175.46 3h8i s SER 208 N -0.87 2.43 0.52 1.98 0.15 -0.24 -3.41 113.70 114.25 3h8i s SER 208 Ca 0.08 -0.38 0.29 0.00 0.70 0.00 0.00 55.95 56.65 3h8i s SER 208 Cb -0.09 -0.32 1.36 0.00 -1.71 0.00 0.00 66.02 65.27 3h8i s SER 208 CO 0.01 0.25 2.01 1.55 1.20 0.00 0.00 173.24 178.25 3h8i h PRO 209 N 5.69 0.00 0.00 5.44 0.13 -1.68 0.42 132.00 142.01 3h8i h PRO 209 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3h8i h PRO 209 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3h8i h PRO 209 CO 0.48 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 3h8i n GLY 210 N -0.33 3.86 0.14 1.56 0.00 -1.26 -3.97 105.19 105.19 3h8i n GLY 210 Ca -0.01 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.68 3h8i n GLY 210 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h8i h GLU 211 N 0.00 0.00 -1.03 1.61 4.11 -1.96 0.10 114.58 117.41 3h8i h GLU 211 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h8i h GLU 211 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h8i h GLU 211 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 179.01 180.06 3h8i n TYR 212 N -2.59 0.00 -3.74 2.06 9.36 -1.26 -4.85 117.16 116.15 3h8i n TYR 212 Ca 0.04 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.92 3h8i n TYR 212 Cb 0.49 -1.47 0.04 0.00 -0.63 0.00 0.00 39.34 37.77 3h8i n TYR 212 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3h8i n LEU 213 N 0.00 -2.46 0.00 2.98 4.77 -1.26 -4.85 117.00 116.17 3h8i n LEU 213 Ca 0.00 -1.05 0.06 0.00 -0.03 0.00 0.00 56.01 54.99 3h8i n LEU 213 Cb 0.00 -2.27 0.30 0.00 -2.33 0.00 0.00 43.42 39.13 3h8i n LEU 213 CO 0.00 0.51 0.66 -1.54 -1.33 0.00 0.00 177.39 175.69 3h8i n SER 214 N -2.58 0.00 -0.02 -1.43 3.41 -1.26 -2.23 113.62 109.52 3h8i n SER 214 Ca -0.10 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 3h8i n SER 214 Cb 0.59 -0.33 0.58 0.00 -0.26 0.00 0.00 64.21 64.78 3h8i n SER 214 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h8i n ASP 215 N -1.33 0.15 -4.92 4.04 5.75 -1.26 -4.86 116.55 114.12 3h8i n ASP 215 Ca 0.05 0.13 -0.27 0.00 -0.01 0.00 0.00 54.79 54.70 3h8i n ASP 215 Cb 0.11 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.90 3h8i n ASP 215 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3h8i s LEU 216 N -2.86 3.92 0.88 -2.12 1.43 -0.95 -4.90 118.68 114.07 3h8i s LEU 216 Ca 0.18 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3h8i s LEU 216 Cb 0.19 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.95 3h8i s LEU 216 CO 0.54 -0.34 1.09 -0.94 0.23 0.00 0.00 176.35 176.94 3h8i s SER 217 N -3.69 3.65 0.23 2.29 1.04 -1.26 -4.79 113.70 111.16 3h8i s SER 217 Ca 0.44 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 58.19 3h8i s SER 217 Cb -0.10 -2.09 0.23 0.00 0.10 0.00 0.00 66.02 64.15 3h8i s SER 217 CO 0.36 -2.52 1.88 -0.65 0.98 0.00 0.00 173.24 173.29 3h8i h PRO 218 N -1.47 1.04 -0.72 4.02 0.11 -1.98 -0.58 132.00 132.43 3h8i h PRO 218 Ca -0.49 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 3h8i h PRO 218 Cb 1.29 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3h8i h PRO 218 CO 0.56 0.69 0.22 -0.97 -0.21 0.00 0.00 178.00 178.30 3h8i h ASN 219 N 1.08 1.05 0.04 -2.05 -1.24 -1.98 0.98 115.58 113.44 3h8i h ASN 219 Ca 0.32 -0.21 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 3h8i h ASN 219 Cb -0.05 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 3h8i h ASN 219 CO -0.10 0.98 -0.24 0.28 -1.29 0.00 0.00 177.43 177.07 3h8i h SER 220 N 1.06 0.33 0.03 1.15 0.02 -1.78 0.29 113.55 114.66 3h8i h SER 220 Ca 0.23 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.91 3h8i h SER 220 Cb 0.31 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3h8i h SER 220 CO -0.01 0.58 -0.58 0.03 -1.14 0.00 0.00 176.83 175.71 3h8i h ARG 221 N 0.31 0.56 -0.56 3.45 3.08 -0.57 -1.79 114.38 118.86 3h8i h ARG 221 Ca 0.05 -0.37 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 3h8i h ARG 221 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3h8i h ARG 221 CO 0.04 0.98 -0.05 0.87 -1.07 0.00 0.00 179.97 180.74 3h8i h LYS 222 N 0.43 1.02 -0.19 0.04 1.57 -0.13 -1.77 116.57 117.54 3h8i h LYS 222 Ca 0.00 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 3h8i h LYS 222 Cb 1.13 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3h8i h LYS 222 CO 0.11 1.03 0.06 0.00 -0.57 0.00 0.00 179.45 180.08 3h8i h ALA 223 N 1.00 0.21 -0.94 3.86 0.00 -0.22 -0.34 119.26 122.83 3h8i h ALA 223 Ca 0.15 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3h8i h ALA 223 Cb 0.61 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3h8i h ALA 223 CO 0.04 -0.37 0.61 0.28 0.00 0.00 0.00 179.25 179.81 3h8i h VAL 224 N 0.15 1.06 -0.42 0.00 2.07 -1.08 -0.86 116.25 117.18 3h8i h VAL 224 Ca 0.08 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3h8i h VAL 224 Cb 0.05 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3h8i h VAL 224 CO -0.09 0.19 -0.10 0.00 0.02 0.00 0.00 177.57 177.60 3h8i h ALA 225 N 1.50 1.04 -0.63 1.67 0.00 -0.54 -2.13 119.26 120.17 3h8i h ALA 225 Ca 0.41 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3h8i h ALA 225 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3h8i h ALA 225 CO -0.16 0.58 0.15 1.03 0.00 0.00 0.00 179.25 180.85 3h8i h SER 226 N 0.67 0.95 -0.85 0.00 0.87 0.22 -0.34 113.55 115.08 3h8i h SER 226 Ca 0.12 -0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3h8i h SER 226 Cb 0.56 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 3h8i h SER 226 CO 0.03 0.94 0.55 0.40 -0.53 0.00 0.00 176.83 178.23 3h8i h ILE 227 N 0.92 1.18 -0.46 2.23 2.04 -0.94 -0.57 117.51 121.92 3h8i h ILE 227 Ca 0.20 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 3h8i h ILE 227 Cb 0.36 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3h8i h ILE 227 CO 0.00 0.20 -0.13 1.88 0.00 0.00 0.00 178.15 180.11 3h8i h TYR 228 N 1.11 1.01 -0.45 1.37 0.05 -0.91 -1.04 116.97 118.10 3h8i h TYR 228 Ca 0.32 -0.22 0.05 0.00 0.05 0.00 0.00 58.73 58.93 3h8i h TYR 228 Cb -0.07 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.38 3h8i h TYR 228 CO -0.02 0.99 0.20 -0.97 -1.05 0.00 0.00 178.16 177.32 3h8i h ASN 229 N 0.73 0.27 -0.47 3.88 -1.24 -0.49 0.25 115.58 118.52 3h8i h ASN 229 Ca 0.11 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.16 3h8i h ASN 229 Cb 0.68 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 3h8i h ASN 229 CO 0.05 0.19 0.30 1.56 -1.29 0.00 0.00 177.43 178.25 3h8i h GLN 230 N 0.41 0.62 0.00 6.67 1.08 -0.90 -2.43 115.11 120.56 3h8i h GLN 230 Ca 0.20 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3h8i h GLN 230 Cb 0.15 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3h8i h GLN 230 CO -0.17 0.42 0.00 1.28 -0.95 0.00 0.00 178.83 179.41 3h8i n LEU 231 N -4.76 0.00 -0.85 1.46 4.77 -0.41 -4.89 117.00 112.32 3h8i n LEU 231 Ca 0.02 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 3h8i n LEU 231 Cb 0.03 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3h8i n LEU 231 CO 0.35 -0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.92 3h8i n GLY 232 N 0.98 0.44 3.71 -0.72 0.00 -0.26 -5.02 105.19 104.33 3h8i n GLY 232 Ca 0.23 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 3h8i n GLY 232 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8i s ILE 233 N -2.38 5.39 0.39 -0.61 1.01 0.72 -4.53 121.20 121.19 3h8i s ILE 233 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 3h8i s ILE 233 Cb 0.00 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.91 3h8i s ILE 233 CO 0.00 0.41 0.80 -0.54 0.00 0.00 0.00 174.94 175.62 3h8i s LYS 234 N 0.55 3.91 -0.08 2.79 1.02 -0.31 -4.04 119.74 123.59 3h8i s LYS 234 Ca 0.08 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.74 3h8i s LYS 234 Cb -0.12 -2.35 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3h8i s LYS 234 CO -0.00 -0.00 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.17 3h8i s LEU 235 N -3.53 1.39 -0.19 3.17 2.96 -1.26 -0.04 118.68 121.18 3h8i s LEU 235 Ca 0.54 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3h8i s LEU 235 Cb -0.10 -0.74 0.04 0.00 0.50 0.00 0.00 46.19 45.88 3h8i s LEU 235 CO 0.25 -0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.42 3h8i s VAL 236 N 1.10 1.77 0.57 1.68 1.01 0.04 -4.97 120.40 121.60 3h8i s VAL 236 Ca -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 3h8i s VAL 236 Cb -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3h8i s VAL 236 CO -0.01 0.29 0.82 -1.00 0.00 0.00 0.00 175.10 175.20 3h8i s HIS 237 N 1.36 3.00 -1.56 5.22 0.09 -1.26 -1.08 115.29 121.06 3h8i s HIS 237 Ca 0.01 0.23 -0.09 0.00 -0.00 0.00 0.00 55.06 55.20 3h8i s HIS 237 Cb -0.15 -2.76 0.08 0.00 -0.00 0.00 0.00 32.58 29.75 3h8i s HIS 237 CO -0.09 -0.88 0.57 0.09 -0.00 0.00 0.00 174.74 174.43 3h8i n ASN 238 N -2.45 -1.72 -4.05 1.40 4.13 0.36 -4.83 115.26 108.11 3h8i n ASN 238 Ca 0.06 -1.02 -0.33 0.00 1.68 0.00 0.00 54.58 54.97 3h8i n ASN 238 Cb 0.59 -2.85 -0.13 0.00 -1.54 0.00 0.00 39.78 35.86 3h8i n ASN 238 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3h8i s PHE 239 N -3.66 3.52 -0.60 3.10 5.36 0.14 -4.92 117.98 120.92 3h8i s PHE 239 Ca 0.36 -2.81 -0.21 0.00 -0.96 0.00 0.00 56.93 53.31 3h8i s PHE 239 Cb -0.19 -3.05 0.08 0.00 -0.34 0.00 0.00 43.02 39.51 3h8i s PHE 239 CO 0.91 -0.89 0.81 0.15 -1.46 0.00 0.00 175.22 174.74 3h8i s LYS 240 N 0.52 3.11 0.27 10.12 1.02 -1.26 -3.49 119.74 130.03 3h8i s LYS 240 Ca 0.13 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 3h8i s LYS 240 Cb -0.22 -4.20 -0.13 0.00 -0.52 0.00 0.00 37.83 32.76 3h8i s LYS 240 CO -0.04 -1.58 1.38 1.51 -0.92 0.00 0.00 175.35 175.69 3h8i n ILE 241 N 5.77 1.22 0.00 2.17 3.06 -1.26 -1.76 119.36 128.56 3h8i n ILE 241 Ca -0.06 -0.31 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 3h8i n ILE 241 Cb 0.45 -1.50 0.00 0.00 0.54 0.00 0.00 39.64 39.12 3h8i n ILE 241 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 3h8i n LYS 242 N 1.66 2.96 -3.82 9.51 4.81 0.10 -4.81 118.16 128.57 3h8i n LYS 242 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.43 3h8i n LYS 242 Cb 0.33 -0.87 -0.08 0.00 0.02 0.00 0.00 35.03 34.42 3h8i n LYS 242 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3h8i s GLU 243 N -1.74 0.71 -0.16 1.64 2.12 -0.98 -2.22 118.70 118.07 3h8i s GLU 243 Ca 0.00 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.79 3h8i s GLU 243 Cb 0.00 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.71 3h8i s GLU 243 CO 0.00 -0.21 -0.16 0.42 -0.54 0.00 0.00 175.26 174.77 3h8i s ILE 244 N -2.38 1.76 0.54 -3.70 1.01 0.80 -1.78 121.20 117.45 3h8i s ILE 244 Ca -0.06 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.90 3h8i s ILE 244 Cb -0.02 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.87 3h8i s ILE 244 CO -0.03 0.49 0.53 -0.13 0.00 0.00 0.00 174.94 175.80 3h8i s ARG 245 N 1.41 2.30 0.44 2.79 0.52 0.32 -4.33 118.95 122.40 3h8i s ARG 245 Ca 0.05 -1.84 0.17 0.00 -0.52 0.00 0.00 55.73 53.59 3h8i s ARG 245 Cb -0.13 -2.31 1.02 0.00 0.52 0.00 0.00 34.95 34.04 3h8i s ARG 245 CO -0.12 -0.65 1.96 1.49 0.02 0.00 0.00 175.30 178.00 3h8i h GLU 246 N 0.58 0.00 0.00 3.54 4.81 -1.96 -3.31 114.58 118.24 3h8i h GLU 246 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3h8i h GLU 246 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3h8i h GLU 246 CO 0.52 0.22 0.00 0.72 -0.73 0.00 0.00 179.01 179.74 3h8i n HIS 247 N -4.11 0.00 -3.54 0.92 8.25 -1.22 -4.45 115.22 111.07 3h8i n HIS 247 Ca -0.02 -0.26 -0.09 0.00 -0.26 0.00 0.00 57.72 57.09 3h8i n HIS 247 Cb 0.29 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 3h8i n HIS 247 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3h8i s GLU 248 N -0.53 1.06 0.11 -0.41 -1.05 -0.81 -0.39 118.70 116.68 3h8i s GLU 248 Ca 0.00 -0.44 0.09 0.00 -0.15 0.00 0.00 54.97 54.47 3h8i s GLU 248 Cb 0.00 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 3h8i s GLU 248 CO 0.00 -0.47 -0.21 0.96 0.95 0.00 0.00 175.26 176.49 3h8i s ILE 249 N -3.37 2.62 -0.02 1.83 -4.36 -0.27 -0.53 121.20 117.11 3h8i s ILE 249 Ca 0.05 -1.55 0.07 0.00 -0.26 0.00 0.00 60.65 58.96 3h8i s ILE 249 Cb -0.01 -2.17 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 3h8i s ILE 249 CO -0.08 0.13 -0.22 -0.69 0.24 0.00 0.00 174.94 174.33 3h8i s VAL 250 N -1.08 1.76 0.59 8.37 1.01 -0.74 -1.17 120.40 129.15 3h8i s VAL 250 Ca 0.16 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3h8i s VAL 250 Cb -0.10 -1.46 0.11 0.00 0.00 0.00 0.00 36.38 34.92 3h8i s VAL 250 CO 0.08 0.49 0.82 -0.90 0.00 0.00 0.00 175.10 175.58 3h8i n ASP 251 N 2.51 1.52 0.00 3.32 5.75 0.13 0.01 116.55 129.79 3h8i n ASP 251 Ca -0.15 -2.18 0.07 0.00 -0.01 0.00 0.00 54.79 52.52 3h8i n ASP 251 Cb 0.52 -0.49 0.34 0.00 -1.03 0.00 0.00 41.12 40.46 3h8i n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h8i n GLU 252 N -2.42 0.02 -0.07 0.11 1.02 -0.72 -2.53 120.64 116.05 3h8i n GLU 252 Ca 0.15 0.23 0.07 0.00 -0.02 0.00 0.00 57.16 57.58 3h8i n GLU 252 Cb 0.53 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.55 3h8i n GLU 252 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h8i n LYS 253 N -1.48 1.53 -0.46 3.49 5.02 -1.26 -4.98 118.16 120.01 3h8i n LYS 253 Ca 0.04 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.73 3h8i n LYS 253 Cb 0.18 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3h8i n LYS 253 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h8i n GLY 254 N 0.80 0.74 3.81 0.72 0.00 -1.05 -5.06 105.19 105.15 3h8i n GLY 254 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3h8i n GLY 254 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8i s ASN 255 N -2.63 6.74 0.21 1.61 0.01 -1.26 -4.80 114.94 114.81 3h8i s ASN 255 Ca 0.00 1.78 0.08 0.00 -0.71 0.00 0.00 52.86 54.01 3h8i s ASN 255 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 3h8i s ASN 255 CO 0.00 -0.50 -0.15 0.42 -1.51 0.00 0.00 177.10 175.36 3h8i s THR 256 N -2.10 1.80 -0.03 1.60 -4.23 -1.26 -0.69 115.64 110.72 3h8i s THR 256 Ca 0.64 -2.23 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3h8i s THR 256 Cb -0.12 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.66 3h8i s THR 256 CO 0.16 -0.57 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.98 3h8i s ILE 257 N -2.93 0.58 0.16 2.99 1.01 -0.32 -4.97 121.20 117.71 3h8i s ILE 257 Ca 0.23 -0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 3h8i s ILE 257 Cb -0.01 -0.57 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 3h8i s ILE 257 CO 0.08 0.22 1.40 -2.84 0.00 0.00 0.00 174.94 173.79 3h8i s PRO 258 N 0.61 4.32 -0.26 2.79 0.02 -1.26 -1.11 135.00 140.10 3h8i s PRO 258 Ca -0.08 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.03 3h8i s PRO 258 Cb -0.12 -3.21 0.15 0.00 0.02 0.00 0.00 34.50 31.34 3h8i s PRO 258 CO 0.00 -0.41 0.49 0.00 -0.33 0.00 0.00 177.00 176.75 3h8i s ALA 259 N 0.74 -1.60 -0.07 -1.55 0.00 0.47 -4.43 121.76 115.32 3h8i s ALA 259 Ca 0.63 1.44 0.14 0.00 0.00 0.00 0.00 51.96 54.17 3h8i s ALA 259 Cb -0.38 -1.82 -0.21 0.00 0.00 0.00 0.00 23.12 20.71 3h8i s ALA 259 CO 0.34 -1.20 0.67 -0.25 0.00 0.00 0.00 175.76 175.32 3h8i n ASP 260 N 5.40 0.82 -4.00 0.00 8.00 0.21 -1.93 116.55 125.05 3h8i n ASP 260 Ca -0.04 0.38 -0.28 0.00 0.71 0.00 0.00 54.79 55.56 3h8i n ASP 260 Cb 0.50 0.06 -0.17 0.00 -0.02 0.00 0.00 41.12 41.50 3h8i n ASP 260 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h8i s ILE 261 N -2.68 1.36 -0.29 0.53 1.01 -0.89 -4.86 121.20 115.38 3h8i s ILE 261 Ca -0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 3h8i s ILE 261 Cb 0.08 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3h8i s ILE 261 CO 0.82 0.42 0.04 -0.89 0.00 0.00 0.00 174.94 175.33 3h8i s THR 262 N 1.31 3.57 -0.43 2.92 2.01 -1.26 -0.81 115.64 122.94 3h8i s THR 262 Ca -0.00 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.96 3h8i s THR 262 Cb -0.14 -2.88 0.05 0.00 0.01 0.00 0.00 72.50 69.55 3h8i s THR 262 CO -0.06 0.06 0.33 -0.63 -0.69 0.00 0.00 174.62 173.63 3h8i s ILE 263 N 1.42 5.08 -0.08 1.82 1.01 0.98 -2.33 121.20 129.11 3h8i s ILE 263 Ca 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.78 3h8i s ILE 263 Cb -0.18 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 3h8i s ILE 263 CO 0.00 -0.44 -0.23 -0.22 0.00 0.00 0.00 174.94 174.05 3h8i s LEU 264 N 1.63 2.05 -0.56 2.97 2.96 -0.11 -1.94 118.68 125.68 3h8i s LEU 264 Ca 0.04 -0.51 -0.23 0.00 -0.22 0.00 0.00 54.13 53.21 3h8i s LEU 264 Cb -0.22 -1.33 0.05 0.00 0.50 0.00 0.00 46.19 45.19 3h8i s LEU 264 CO 0.07 0.19 0.89 -0.22 -1.32 0.00 0.00 176.35 175.96 3h8i s LEU 265 N 0.12 4.29 0.89 -0.68 2.96 -0.39 -2.80 118.68 123.07 3h8i s LEU 265 Ca -0.11 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.15 3h8i s LEU 265 Cb -0.16 -2.71 0.08 0.00 0.50 0.00 0.00 46.19 43.90 3h8i s LEU 265 CO 0.06 -1.19 0.84 -2.65 -1.32 0.00 0.00 176.35 172.09 3h8i n PRO 266 N 7.27 -0.22 -1.78 0.98 -0.02 -1.26 -0.58 135.00 139.38 3h8i n PRO 266 Ca -0.00 -0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.09 3h8i n PRO 266 Cb 0.47 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3h8i n PRO 266 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3h8i s PRO 267 N -4.03 2.97 -0.24 0.52 0.02 -1.26 -4.28 135.00 128.70 3h8i s PRO 267 Ca 0.64 2.17 -0.10 0.00 0.02 0.00 0.00 61.00 63.73 3h8i s PRO 267 Cb -0.24 -2.13 -0.05 0.00 0.02 0.00 0.00 34.50 32.10 3h8i s PRO 267 CO 0.60 -1.30 0.15 0.71 -0.33 0.00 0.00 177.00 176.83 3h8i s TYR 268 N -1.34 3.27 0.28 6.54 1.51 -0.93 -0.21 117.35 126.48 3h8i s TYR 268 Ca 0.75 0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.99 3h8i s TYR 268 Cb -0.39 -2.27 -0.06 0.00 -0.11 0.00 0.00 41.96 39.13 3h8i s TYR 268 CO 0.45 -0.01 0.01 0.95 -1.11 0.00 0.00 175.55 175.84 3h8i s THR 269 N 1.17 1.26 0.71 -0.71 -4.23 -0.35 -0.37 115.64 113.12 3h8i s THR 269 Ca 0.07 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 3h8i s THR 269 Cb -0.14 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.16 3h8i s THR 269 CO 0.05 -0.17 1.12 -0.83 -0.54 0.00 0.00 174.62 174.25 3h8i s GLY 270 N -3.42 2.01 0.13 3.99 0.00 -0.96 -0.09 107.32 108.99 3h8i s GLY 270 Ca 0.32 0.50 -0.31 0.00 0.00 0.00 0.00 44.72 45.23 3h8i s GLY 270 CO 0.13 0.86 1.62 0.21 0.00 0.00 0.00 173.10 175.91 3h8i s ASN 271 N -2.76 6.58 0.37 1.64 3.84 -1.25 -4.36 114.94 119.00 3h8i s ASN 271 Ca 0.66 2.59 0.12 0.00 0.21 0.00 0.00 52.86 56.44 3h8i s ASN 271 Cb -0.20 -2.58 0.91 0.00 -0.55 0.00 0.00 41.25 38.82 3h8i s ASN 271 CO 0.47 -0.86 1.86 -0.65 -2.79 0.00 0.00 177.10 175.13 3h8i h PRO 272 N 7.42 0.58 0.00 0.43 0.10 -1.91 0.75 132.00 139.36 3h8i h PRO 272 Ca -0.43 -0.03 -0.02 0.00 0.10 0.00 0.00 66.00 65.62 3h8i h PRO 272 Cb 1.20 -0.13 -0.00 0.00 0.10 0.00 0.00 31.00 32.17 3h8i h PRO 272 CO 0.92 0.38 -0.10 0.00 0.10 0.00 0.00 178.00 179.31 3h8i h ALA 273 N 1.61 1.62 0.00 -0.75 0.00 -1.84 -0.53 119.26 119.37 3h8i h ALA 273 Ca 0.46 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 3h8i h ALA 273 Cb 0.88 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3h8i h ALA 273 CO -0.21 0.12 -1.27 -0.07 0.00 0.00 0.00 179.25 177.82 3h8i h LEU 274 N 0.00 0.00 -0.85 0.00 3.38 -1.19 -3.12 115.31 113.53 3h8i h LEU 274 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3h8i h LEU 274 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3h8i h LEU 274 CO 0.01 0.53 -0.57 0.11 0.09 0.00 0.00 178.44 178.62 3h8i h LYS 275 N 0.00 0.02 -0.54 1.13 1.57 -0.34 -2.91 116.57 115.50 3h8i h LYS 275 Ca -0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3h8i h LYS 275 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3h8i h LYS 275 CO 0.05 0.58 0.00 0.09 -0.57 0.00 0.00 179.45 179.60 3h8i n ASN 276 N -3.87 2.90 -4.53 0.86 3.02 -0.31 -4.91 115.26 108.42 3h8i n ASN 276 Ca -0.01 -2.05 -0.23 0.00 -0.03 0.00 0.00 54.58 52.25 3h8i n ASN 276 Cb 0.57 -0.37 0.12 0.00 -0.61 0.00 0.00 39.78 39.49 3h8i n ASN 276 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h8i n SER 277 N 0.97 1.36 -4.49 6.41 7.64 -1.10 -4.65 113.62 119.75 3h8i n SER 277 Ca 0.17 -2.14 -0.60 0.00 1.01 0.00 0.00 58.87 57.32 3h8i n SER 277 Cb 0.48 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 3h8i n SER 277 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3h8i n THR 278 N -2.82 0.09 -0.32 0.44 -1.04 -0.79 -4.78 114.28 105.06 3h8i n THR 278 Ca 0.16 -0.06 0.22 0.00 -2.04 0.00 0.00 64.05 62.34 3h8i n THR 278 Cb 0.58 -0.85 0.44 0.00 -1.82 0.00 0.00 70.33 68.69 3h8i n THR 278 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3h8i h PRO 279 N 8.32 0.16 -0.67 -2.82 0.11 -1.92 0.13 132.00 135.32 3h8i h PRO 279 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3h8i h PRO 279 Cb 1.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3h8i h PRO 279 CO 1.03 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 3h8i n ASP 280 N -5.21 3.32 -0.04 -2.05 5.75 -1.26 -3.50 116.55 113.57 3h8i n ASP 280 Ca 0.30 -2.39 -0.14 0.00 -0.01 0.00 0.00 54.79 52.55 3h8i n ASP 280 Cb 0.97 -0.52 -0.14 0.00 -1.03 0.00 0.00 41.12 40.40 3h8i n ASP 280 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3h8i n LEU 281 N 0.47 1.64 -4.73 -2.12 7.94 0.47 -4.75 117.00 115.92 3h8i n LEU 281 Ca 0.15 0.22 -0.23 0.00 -1.11 0.00 0.00 56.01 55.05 3h8i n LEU 281 Cb 0.67 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 44.19 3h8i n LEU 281 CO 0.16 0.64 -0.22 0.68 -1.11 0.00 0.00 177.39 177.54 3h8i s VAL 282 N -2.56 3.44 0.58 1.96 -7.23 -1.23 -4.13 120.40 111.23 3h8i s VAL 282 Ca -0.15 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3h8i s VAL 282 Cb 0.07 -3.02 0.11 0.00 0.56 0.00 0.00 36.38 34.10 3h8i s VAL 282 CO 0.78 -0.27 0.80 -0.90 -0.31 0.00 0.00 175.10 175.20 3h8i n ASP 283 N -1.09 1.22 0.15 4.85 5.68 0.33 -4.62 116.55 123.07 3h8i n ASP 283 Ca -0.05 -2.00 0.11 0.00 -0.50 0.00 0.00 54.79 52.35 3h8i n ASP 283 Cb 0.60 -0.50 0.55 0.00 -1.14 0.00 0.00 41.12 40.63 3h8i n ASP 283 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h8i n ASP 284 N -2.84 0.56 0.02 -1.12 5.75 -0.44 -2.08 116.55 116.40 3h8i n ASP 284 Ca 0.14 0.74 0.01 0.00 -0.01 0.00 0.00 54.79 55.66 3h8i n ASP 284 Cb 0.49 -0.82 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 3h8i n ASP 284 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h8i n GLY 285 N -1.07 -1.18 0.00 6.12 0.00 -1.26 -4.86 105.19 102.94 3h8i n GLY 285 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3h8i n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8i n GLY 286 N 1.40 1.33 3.67 -0.02 0.00 -0.88 -2.27 105.19 108.42 3h8i n GLY 286 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3h8i n GLY 286 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h8i s PHE 287 N -2.00 2.88 -0.44 1.61 0.08 -1.26 -3.97 117.98 114.88 3h8i s PHE 287 Ca 0.00 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.74 3h8i s PHE 287 Cb 0.00 -1.40 0.03 0.00 -0.57 0.00 0.00 43.02 41.07 3h8i s PHE 287 CO 0.00 0.51 0.53 0.42 -0.10 0.00 0.00 175.22 176.58 3h8i s ILE 288 N -1.68 4.97 0.26 0.64 1.01 -0.27 -0.51 121.20 125.62 3h8i s ILE 288 Ca 0.27 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 3h8i s ILE 288 Cb -0.10 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3h8i s ILE 288 CO 0.19 -0.52 1.14 -2.16 0.00 0.00 0.00 174.94 173.59 3h8i s PRO 289 N 2.43 4.57 0.12 2.79 0.04 -1.26 -2.44 135.00 141.25 3h8i s PRO 289 Ca 0.16 1.86 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3h8i s PRO 289 Cb -0.16 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 3h8i s PRO 289 CO 0.15 0.09 0.08 0.25 0.04 0.00 0.00 177.00 177.62 3h8i n THR 290 N 1.52 0.00 -3.14 1.26 -2.24 -1.26 -2.45 114.28 107.97 3h8i n THR 290 Ca 0.00 -0.81 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 3h8i n THR 290 Cb 0.44 0.38 0.04 0.00 -2.10 0.00 0.00 70.33 69.09 3h8i n THR 290 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h8i n ASP 291 N -2.43 1.44 0.00 3.42 5.68 -0.64 -0.61 116.55 123.41 3h8i n ASP 291 Ca 0.02 -1.99 0.04 0.00 -0.50 0.00 0.00 54.79 52.36 3h8i n ASP 291 Cb 0.20 -0.23 0.23 0.00 -1.14 0.00 0.00 41.12 40.18 3h8i n ASP 291 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h8i n LEU 292 N 0.00 0.00 -0.84 -2.12 4.77 -1.25 -1.32 117.00 116.24 3h8i n LEU 292 Ca 0.08 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 3h8i n LEU 292 Cb 0.38 -0.30 0.20 0.00 -2.33 0.00 0.00 43.42 41.37 3h8i n LEU 292 CO 0.24 -0.21 0.68 0.59 -1.33 0.00 0.00 177.39 177.37 3h8i n ASN 293 N -1.30 2.64 0.00 -1.43 3.02 -1.26 -4.68 115.26 112.25 3h8i n ASN 293 Ca 0.04 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3h8i n ASN 293 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3h8i n ASN 293 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3h8i n MET 294 N 1.07 0.00 -3.12 3.52 2.81 -0.43 -4.19 117.12 116.78 3h8i n MET 294 Ca 0.15 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.65 3h8i n MET 294 Cb 0.54 -2.83 -0.05 0.00 -0.71 0.00 0.00 33.22 30.17 3h8i n MET 294 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h8i s VAL 295 N -2.22 5.01 0.39 2.03 1.01 -1.26 -1.24 120.40 124.12 3h8i s VAL 295 Ca 0.00 1.34 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 3h8i s VAL 295 Cb 0.00 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 3h8i s VAL 295 CO 0.00 0.31 0.81 -0.24 0.00 0.00 0.00 175.10 175.98 3h8i n SER 296 N 3.43 0.31 0.00 3.32 2.88 0.29 -1.62 113.62 122.22 3h8i n SER 296 Ca -0.04 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.64 3h8i n SER 296 Cb 0.51 -1.23 0.57 0.00 -0.75 0.00 0.00 64.21 63.31 3h8i n SER 296 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3h8i n ILE 297 N -0.49 0.29 -0.05 2.46 -5.35 -1.03 -4.03 119.36 111.16 3h8i n ILE 297 Ca 0.11 0.07 -0.08 0.00 -0.27 0.00 0.00 62.75 62.57 3h8i n ILE 297 Cb 0.37 -0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 37.56 3h8i n ILE 297 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3h8i n LYS 298 N -1.36 0.21 -3.89 6.28 3.00 -1.26 -4.97 118.16 116.17 3h8i n LYS 298 Ca 0.09 0.07 -0.35 0.00 -0.00 0.00 0.00 58.31 58.13 3h8i n LYS 298 Cb 0.22 -1.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.12 3h8i n LYS 298 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3h8i s TYR 299 N -2.18 3.40 -1.66 5.64 2.02 -1.26 -5.00 117.35 118.33 3h8i s TYR 299 Ca -0.13 -2.15 0.03 0.00 -0.37 0.00 0.00 57.07 54.45 3h8i s TYR 299 Cb 0.04 -2.49 0.14 0.00 -0.40 0.00 0.00 41.96 39.24 3h8i s TYR 299 CO 0.19 -0.87 0.79 -0.40 -1.57 0.00 0.00 175.55 173.69 3h8i n ASP 300 N 4.57 0.00 -0.40 2.29 5.75 -1.26 -1.81 116.55 125.69 3h8i n ASP 300 Ca -0.08 0.12 0.06 0.00 -0.01 0.00 0.00 54.79 54.87 3h8i n ASP 300 Cb 0.43 -0.17 0.13 0.00 -1.03 0.00 0.00 41.12 40.47 3h8i n ASP 300 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3h8i n ASN 301 N -1.17 2.76 -4.36 -1.12 6.94 -1.26 -4.90 115.26 112.15 3h8i n ASN 301 Ca 0.01 -2.44 -0.34 0.00 -0.02 0.00 0.00 54.58 51.80 3h8i n ASN 301 Cb 0.02 -0.27 -0.14 0.00 -2.36 0.00 0.00 39.78 37.02 3h8i n ASN 301 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3h8i s VAL 302 N -1.77 3.30 -0.06 3.53 1.01 -0.75 -1.86 120.40 123.80 3h8i s VAL 302 Ca 0.22 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3h8i s VAL 302 Cb 0.17 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3h8i s VAL 302 CO 0.07 0.48 -0.09 -0.31 0.00 0.00 0.00 175.10 175.25 3h8i s TYR 303 N 0.86 2.86 -0.09 5.22 2.02 0.10 -0.55 117.35 127.77 3h8i s TYR 303 Ca -0.02 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 3h8i s TYR 303 Cb -0.15 -1.68 -0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3h8i s TYR 303 CO 0.01 0.28 -0.23 0.00 -1.57 0.00 0.00 175.55 174.04 3h8i s ALA 304 N -0.79 2.10 0.15 3.71 0.00 -0.37 0.10 121.76 126.67 3h8i s ALA 304 Ca 0.12 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.20 3h8i s ALA 304 Cb -0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3h8i s ALA 304 CO 0.01 0.30 -0.13 0.14 0.00 0.00 0.00 175.76 176.08 3h8i s VAL 305 N 0.27 1.38 0.00 0.00 -7.23 0.68 -4.73 120.40 110.77 3h8i s VAL 305 Ca -0.16 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3h8i s VAL 305 Cb -0.17 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3h8i s VAL 305 CO 0.08 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 3h8i n GLY 306 N 0.10 1.86 0.34 2.32 0.00 -1.26 -3.34 105.19 105.21 3h8i n GLY 306 Ca -0.12 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.47 3h8i n GLY 306 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h8i h ASP 307 N 9.43 0.33 0.66 1.61 5.19 -1.91 -1.93 116.42 129.79 3h8i h ASP 307 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3h8i h ASP 307 Cb 0.00 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 3h8i h ASP 307 CO 0.00 0.21 -0.05 0.00 -3.12 0.00 0.00 179.24 176.28 3h8i h ALA 308 N 1.73 1.05 -2.72 3.45 0.00 -1.64 -3.40 119.26 117.73 3h8i h ALA 308 Ca 0.23 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.59 3h8i h ALA 308 Cb 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h8i h ALA 308 CO -0.06 0.06 0.26 1.21 0.00 0.00 0.00 179.25 180.72 3h8i s ASN 309 N -5.71 7.50 0.39 0.00 3.84 -0.73 -1.11 114.94 119.13 3h8i s ASN 309 Ca -0.01 1.78 0.06 0.00 0.21 0.00 0.00 52.86 54.91 3h8i s ASN 309 Cb 0.11 -2.55 0.79 0.00 -0.55 0.00 0.00 41.25 39.05 3h8i s ASN 309 CO 0.53 0.18 2.01 0.28 -2.79 0.00 0.00 177.10 177.31 3h8i h SER 310 N 4.19 0.48 1.44 -4.21 0.02 -1.76 -3.13 113.55 110.57 3h8i h SER 310 Ca -0.46 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3h8i h SER 310 Cb 1.20 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3h8i h SER 310 CO 0.67 0.40 0.00 0.00 -1.14 0.00 0.00 176.83 176.76 3h8i h MET 311 N 0.55 0.00 -5.78 3.45 -0.00 -1.92 -3.42 114.93 107.82 3h8i h MET 311 Ca 0.14 0.00 -0.55 0.00 -0.00 0.00 0.00 59.70 59.30 3h8i h MET 311 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.57 3h8i h MET 311 CO -0.02 0.00 1.69 0.95 -0.00 0.00 0.00 176.91 179.53 3h8i s THR 312 N -3.13 3.89 -0.07 -0.10 -4.23 -1.19 -4.80 115.64 106.01 3h8i s THR 312 Ca 0.10 -1.37 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3h8i s THR 312 Cb 0.12 -4.92 0.03 0.00 1.34 0.00 0.00 72.50 69.06 3h8i s THR 312 CO 0.58 -1.66 0.02 -0.69 -0.54 0.00 0.00 174.62 172.34 3h8i s VAL 313 N 6.62 0.22 1.03 2.29 1.01 -1.26 -3.51 120.40 126.79 3h8i s VAL 313 Ca 0.58 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.64 3h8i s VAL 313 Cb 0.01 -0.42 0.20 0.00 0.00 0.00 0.00 36.38 36.17 3h8i s VAL 313 CO 0.06 0.21 1.07 -2.84 0.00 0.00 0.00 175.10 173.61 3h8i s PRO 314 N 2.04 0.19 -1.10 2.72 0.02 -1.26 -4.52 135.00 133.09 3h8i s PRO 314 Ca 0.05 0.84 -0.21 0.00 0.02 0.00 0.00 61.00 61.69 3h8i s PRO 314 Cb -0.12 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.77 3h8i s PRO 314 CO -0.05 -2.98 1.52 0.15 -0.33 0.00 0.00 177.00 175.32 3h8i s LYS 315 N -4.73 3.72 -0.13 5.54 -0.14 -0.26 -4.97 119.74 118.77 3h8i s LYS 315 Ca 0.66 -1.43 -0.02 0.00 -1.36 0.00 0.00 55.97 53.83 3h8i s LYS 315 Cb -0.21 -5.39 -0.03 0.00 -1.68 0.00 0.00 37.83 30.52 3h8i s LYS 315 CO 0.60 -2.20 -0.07 -0.51 -0.76 0.00 0.00 175.35 172.41 3h8i s LEU 316 N 4.62 3.12 0.33 3.17 1.43 -1.26 -4.84 118.68 125.24 3h8i s LEU 316 Ca 0.48 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.54 3h8i s LEU 316 Cb 0.01 -1.72 0.92 0.00 0.03 0.00 0.00 46.19 45.43 3h8i s LEU 316 CO -0.05 0.22 1.72 1.23 0.23 0.00 0.00 176.35 179.71 3h8i h GLY 317 N 6.31 1.89 2.00 -3.19 0.00 -1.99 0.19 103.07 108.28 3h8i h GLY 317 Ca -0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 3h8i h GLY 317 CO 0.59 -0.26 -0.15 0.10 0.00 0.00 0.00 176.54 176.82 3h8i h TYR 318 N 0.55 0.00 0.02 5.60 -0.00 -1.99 -1.09 116.97 120.06 3h8i h TYR 318 Ca 0.65 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 59.18 3h8i h TYR 318 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.00 3h8i h TYR 318 CO -0.01 0.15 -0.94 -0.07 -0.00 0.00 0.00 178.16 177.29 3h8i h LEU 319 N 0.00 0.12 -0.13 0.10 3.38 -1.08 -1.28 115.31 116.42 3h8i h LEU 319 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3h8i h LEU 319 Cb 0.90 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3h8i h LEU 319 CO 0.02 0.99 0.06 0.00 0.09 0.00 0.00 178.44 179.60 3h8i h ALA 320 N 1.00 0.17 -0.47 1.53 0.00 -0.53 0.14 119.26 121.10 3h8i h ALA 320 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h8i h ALA 320 Cb 1.63 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3h8i h ALA 320 CO 0.13 -0.27 0.22 0.28 0.00 0.00 0.00 179.25 179.61 3h8i h VAL 321 N 0.08 1.19 0.29 0.00 2.07 -1.21 0.12 116.25 118.79 3h8i h VAL 321 Ca 0.04 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3h8i h VAL 321 Cb 0.13 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3h8i h VAL 321 CO -0.01 0.22 -0.24 -0.03 0.02 0.00 0.00 177.57 177.53 3h8i h MET 322 N 0.62 -0.52 -0.43 1.57 -1.53 -0.90 -1.66 114.93 112.08 3h8i h MET 322 Ca 0.16 0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.41 3h8i h MET 322 Cb 0.14 0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.29 3h8i h MET 322 CO -0.02 -0.35 0.09 1.79 0.14 0.00 0.00 176.91 178.56 3h8i h THR 323 N -0.54 1.20 -0.37 -0.77 1.35 -0.63 -2.14 112.91 111.01 3h8i h THR 323 Ca -0.02 -0.71 0.04 0.00 -0.55 0.00 0.00 66.41 65.17 3h8i h THR 323 Cb 0.48 0.77 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 3h8i h THR 323 CO -0.02 0.26 0.15 1.23 -0.25 0.00 0.00 175.52 176.88 3h8i h GLY 324 N 0.86 0.48 0.85 5.82 0.00 -0.38 -1.27 103.07 109.42 3h8i h GLY 324 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3h8i h GLY 324 CO -0.00 0.05 -0.04 3.21 0.00 0.00 0.00 176.54 179.75 3h8i h ARG 325 N 0.31 -0.12 -0.22 4.80 3.08 -0.93 -2.47 114.38 118.83 3h8i h ARG 325 Ca 0.16 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.28 3h8i h ARG 325 Cb 0.12 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 3h8i h ARG 325 CO -0.15 0.06 -0.17 0.82 -1.07 0.00 0.00 179.97 179.46 3h8i h ILE 326 N -0.27 0.53 -0.43 2.04 2.04 -1.21 -0.41 117.51 119.79 3h8i h ILE 326 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 3h8i h ILE 326 Cb 0.23 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 3h8i h ILE 326 CO 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.07 3h8i h ALA 327 N 0.96 0.29 -0.32 1.87 0.00 -1.20 -0.41 119.26 120.45 3h8i h ALA 327 Ca 0.13 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3h8i h ALA 327 Cb 0.36 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3h8i h ALA 327 CO -0.32 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.49 3h8i h ALA 328 N 1.43 1.42 0.11 0.00 0.00 -0.92 -1.70 119.26 119.60 3h8i h ALA 328 Ca 0.21 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.64 3h8i h ALA 328 Cb 0.32 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.99 3h8i h ALA 328 CO -0.44 0.41 -1.23 1.96 0.00 0.00 0.00 179.25 179.95 3h8i h GLN 329 N 0.47 0.63 -0.44 0.00 4.20 -0.37 -1.98 115.11 117.61 3h8i h GLN 329 Ca 0.10 -0.82 -0.04 0.00 0.06 0.00 0.00 58.65 57.95 3h8i h GLN 329 Cb 0.30 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3h8i h GLN 329 CO 0.01 1.37 0.13 1.25 -0.67 0.00 0.00 178.83 180.92 3h8i h HIS 330 N 0.29 0.72 -0.23 2.96 2.76 -0.99 -2.59 115.15 118.06 3h8i h HIS 330 Ca -0.18 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 57.89 3h8i h HIS 330 Cb 1.90 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.64 3h8i h HIS 330 CO 0.11 0.66 0.07 1.25 -1.30 0.00 0.00 177.93 178.72 3h8i h LEU 331 N 0.57 0.34 -0.81 0.26 5.85 -1.36 -2.64 115.31 117.52 3h8i h LEU 331 Ca 0.14 -0.21 0.16 0.00 0.84 0.00 0.00 57.88 58.81 3h8i h LEU 331 Cb 0.29 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 3h8i h LEU 331 CO -0.00 0.46 0.36 0.00 -0.34 0.00 0.00 178.44 178.92 3h8i h ALA 332 N 0.89 1.20 -0.78 1.25 0.00 -1.26 0.16 119.26 120.72 3h8i h ALA 332 Ca 0.07 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3h8i h ALA 332 Cb 0.25 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3h8i h ALA 332 CO -0.00 -0.20 0.51 -0.91 0.00 0.00 0.00 179.25 178.65 3h8i h ASN 333 N 0.49 0.87 -0.61 0.00 2.35 -1.18 -0.17 115.58 117.33 3h8i h ASN 333 Ca 0.46 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.16 3h8i h ASN 333 Cb 0.72 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 3h8i h ASN 333 CO -0.42 0.62 0.27 0.03 -1.65 0.00 0.00 177.43 176.27 3h8i h ARG 334 N 1.02 0.92 -0.68 0.81 3.08 -0.42 -1.64 114.38 117.48 3h8i h ARG 334 Ca 0.30 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3h8i h ARG 334 Cb -0.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3h8i h ARG 334 CO -0.08 0.75 0.00 1.28 -1.07 0.00 0.00 179.97 180.84 3h8i n LEU 335 N -4.32 1.04 0.00 3.04 4.77 -0.16 -4.84 117.00 116.53 3h8i n LEU 335 Ca 0.06 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3h8i n LEU 335 Cb 0.16 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3h8i n LEU 335 CO 0.39 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3h8i n GLY 336 N 0.22 0.43 3.02 -0.72 0.00 -0.62 -5.02 105.19 102.51 3h8i n GLY 336 Ca 0.02 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 3h8i n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h8i s VAL 337 N -2.00 3.30 -0.41 1.61 1.01 -0.16 -5.00 120.40 118.76 3h8i s VAL 337 Ca 0.00 -3.38 -0.43 0.00 0.00 0.00 0.00 61.98 58.17 3h8i s VAL 337 Cb 0.00 -3.17 -0.17 0.00 0.00 0.00 0.00 36.38 33.03 3h8i s VAL 337 CO 0.00 -0.89 1.79 -2.65 0.00 0.00 0.00 175.10 173.35 3h8i n PRO 338 N 3.00 0.52 -3.88 2.72 -0.02 -1.26 -3.13 135.00 132.95 3h8i n PRO 338 Ca 0.10 0.18 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 3h8i n PRO 338 Cb 0.35 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 31.91 3h8i n PRO 338 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3h8i s THR 339 N 4.06 0.05 0.03 3.45 2.01 -1.26 -4.96 115.64 119.02 3h8i s THR 339 Ca 1.05 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 3h8i s THR 339 Cb -1.29 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3h8i s THR 339 CO 0.71 -0.23 1.03 -0.75 -0.69 0.00 0.00 174.62 174.69 3h8i s LYS 340 N -0.73 4.54 -0.38 4.92 2.20 -1.26 -4.85 119.74 124.19 3h8i s LYS 340 Ca -0.08 1.50 -0.14 0.00 -0.36 0.00 0.00 55.97 56.90 3h8i s LYS 340 Cb -0.05 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3h8i s LYS 340 CO 0.00 -0.07 0.26 0.08 -0.36 0.00 0.00 175.35 175.27 3h8i s VAL 341 N 0.91 5.13 0.57 4.02 1.01 -1.26 -4.89 120.40 125.89 3h8i s VAL 341 Ca 0.53 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 3h8i s VAL 341 Cb -0.23 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3h8i s VAL 341 CO 0.29 -0.20 1.06 0.47 0.00 0.00 0.00 175.10 176.72 3h8i n ASP 342 N 5.11 1.27 -4.79 3.32 8.00 -1.26 -4.98 116.55 123.23 3h8i n ASP 342 Ca -0.12 0.87 -0.39 0.00 0.71 0.00 0.00 54.79 55.87 3h8i n ASP 342 Cb 0.48 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 3h8i n ASP 342 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3h8i s LYS 343 N -2.70 4.36 -0.08 -1.24 -0.14 -1.26 -4.90 119.74 113.77 3h8i s LYS 343 Ca 0.73 0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 56.06 3h8i s LYS 343 Cb -0.43 -3.26 -0.05 0.00 -1.68 0.00 0.00 37.83 32.41 3h8i s LYS 343 CO 0.49 0.57 0.49 -0.47 -0.76 0.00 0.00 175.35 175.67 3h8i s TYR 344 N -0.98 3.58 0.07 3.18 5.04 -1.26 -5.08 117.35 121.89 3h8i s TYR 344 Ca 0.32 0.97 0.09 0.00 -2.44 0.00 0.00 57.07 56.01 3h8i s TYR 344 Cb -0.21 -2.53 -0.03 0.00 0.35 0.00 0.00 41.96 39.54 3h8i s TYR 344 CO 0.22 0.27 -0.23 0.71 -1.34 0.00 0.00 175.55 175.17 3h8i s TYR 345 N 0.24 2.42 0.68 4.97 1.51 -1.26 -5.12 117.35 120.79 3h8i s TYR 345 Ca 0.27 -0.34 -0.11 0.00 -1.01 0.00 0.00 57.07 55.88 3h8i s TYR 345 Cb -0.16 -1.37 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3h8i s TYR 345 CO 0.12 0.25 1.06 -1.25 -1.11 0.00 0.00 175.55 174.62 3h8i s PRO 346 N -1.61 3.09 0.20 -1.71 0.04 -1.26 -4.99 135.00 128.76 3h8i s PRO 346 Ca 0.14 0.75 0.02 0.00 0.04 0.00 0.00 61.00 61.94 3h8i s PRO 346 Cb -0.10 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.56 3h8i s PRO 346 CO 0.05 -0.94 1.49 1.79 0.04 0.00 0.00 177.00 179.44 3h8i h THR 347 N -0.59 1.39 0.00 1.26 1.35 -1.91 -3.47 112.91 110.94 3h8i h THR 347 Ca -0.44 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 3h8i h THR 347 Cb 1.22 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 3h8i h THR 347 CO 0.60 0.62 0.00 -0.38 -0.25 0.00 0.00 175.52 176.12 3h8i n ILE 348 N -3.84 0.00 -3.72 6.82 2.08 -1.26 -4.81 119.36 114.62 3h8i n ILE 348 Ca -0.03 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.14 3h8i n ILE 348 Cb 0.67 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.48 3h8i n ILE 348 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3h8i s VAL 349 N 0.00 0.05 -0.20 1.39 -7.23 -1.26 -4.90 120.40 108.24 3h8i s VAL 349 Ca 0.00 -0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 59.56 3h8i s VAL 349 Cb 0.00 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 3h8i s VAL 349 CO 0.00 -0.21 0.76 0.00 -0.31 0.00 0.00 175.10 175.34 3h8i h VAL 351 N 5.25 0.00 0.00 0.00 -1.51 -1.96 -1.63 116.25 116.39 3h8i h VAL 351 Ca -0.28 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3h8i h VAL 351 Cb 1.13 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3h8i h VAL 351 CO 0.82 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.16 3h8i n ALA 352 N -1.84 1.71 0.22 5.19 0.00 -1.26 -1.81 120.51 122.71 3h8i n ALA 352 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3h8i n ALA 352 Cb 0.08 -1.24 0.45 0.00 0.00 0.00 0.00 19.45 18.74 3h8i n ALA 352 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3h8i h ASP 353 N 0.00 0.00 -3.53 0.00 5.19 -1.63 -3.41 116.42 113.04 3h8i h ASP 353 Ca 0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 3h8i h ASP 353 Cb 0.24 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.63 3h8i h ASP 353 CO 0.00 0.26 0.29 0.21 -3.12 0.00 0.00 179.24 176.88 3h8i s ASN 354 N -6.28 6.52 0.61 6.45 3.84 -0.75 -4.94 114.94 120.39 3h8i s ASN 354 Ca -0.00 0.34 0.39 0.00 0.21 0.00 0.00 52.86 53.80 3h8i s ASN 354 Cb 0.11 -2.37 1.93 0.00 -0.55 0.00 0.00 41.25 40.36 3h8i s ASN 354 CO 0.65 -0.65 2.20 1.55 -2.79 0.00 0.00 177.10 178.06 3h8i h PRO 355 N 8.39 0.00 -0.38 0.43 0.13 -1.86 -2.04 132.00 136.67 3h8i h PRO 355 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3h8i h PRO 355 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h8i h PRO 355 CO 0.87 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 179.31 3h8i n TYR 356 N -3.15 0.00 1.24 1.56 4.01 -1.26 -5.17 117.16 114.39 3h8i n TYR 356 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.85 3h8i n TYR 356 Cb 0.18 -0.04 0.30 0.00 -0.31 0.00 0.00 39.34 39.47 3h8i n TYR 356 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49