#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lml n GLY 17 N 0.00 -1.76 0.12 0.55 0.00 -1.26 -4.50 105.19 98.34 3lml n GLY 17 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 3lml n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3lml h ILE 18 N 0.00 0.00 -0.03 -0.61 1.08 -2.00 -3.15 117.51 112.80 3lml h ILE 18 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3lml h ILE 18 Cb 0.00 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.75 3lml h ILE 18 CO 0.00 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.44 3lml n TYR 19 N -3.13 -0.01 0.31 1.37 9.36 -1.26 0.18 117.16 123.97 3lml n TYR 19 Ca -0.02 0.04 0.19 0.00 3.32 0.00 0.00 57.90 61.43 3lml n TYR 19 Cb 0.10 -0.21 1.02 0.00 -0.63 0.00 0.00 39.34 39.62 3lml n TYR 19 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 3lml h THR 20 N 0.00 0.12 -0.11 2.97 1.35 -1.79 -0.46 112.91 114.99 3lml h THR 20 Ca 0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 3lml h THR 20 Cb 0.01 0.88 0.01 0.00 -1.73 0.00 0.00 68.15 67.32 3lml h THR 20 CO -0.03 0.00 -0.77 0.78 -0.25 0.00 0.00 175.52 175.25 3lml h ASN 21 N 0.00 0.87 -0.41 5.36 2.35 0.20 0.61 115.58 124.55 3lml h ASN 21 Ca 0.02 -0.65 -0.04 0.00 -0.55 0.00 0.00 56.30 55.07 3lml h ASN 21 Cb 0.28 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3lml h ASN 21 CO -0.00 1.39 0.11 -0.26 -1.65 0.00 0.00 177.43 177.02 3lml h PHE 22 N 0.42 0.68 -0.45 1.19 -1.00 -0.50 0.46 116.94 117.74 3lml h PHE 22 Ca -0.06 -0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.57 3lml h PHE 22 Cb 1.41 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.76 3lml h PHE 22 CO 0.10 0.64 -0.01 0.87 -1.61 0.00 0.00 178.31 178.30 3lml h LYS 23 N 0.53 0.80 -0.70 1.51 1.57 -1.43 -2.62 116.57 116.22 3lml h LYS 23 Ca 0.13 -0.26 0.13 0.00 -1.87 0.00 0.00 60.65 58.79 3lml h LYS 23 Cb 0.29 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 3lml h LYS 23 CO -0.00 0.86 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 3lml h ALA 24 N 0.91 0.94 0.10 3.86 0.00 -0.55 0.28 119.26 124.79 3lml h ALA 24 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3lml h ALA 24 Cb 0.51 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3lml h ALA 24 CO 0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 179.25 178.73 3lml h ALA 25 N 1.52 -0.84 -0.83 0.00 0.00 -0.53 0.30 119.26 118.89 3lml h ALA 25 Ca 0.38 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.32 3lml h ALA 25 Cb 0.57 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3lml h ALA 25 CO -0.40 -0.91 0.54 0.00 0.00 0.00 0.00 179.25 178.48 3lml h ALA 26 N -1.01 1.75 -0.47 0.00 0.00 -1.26 0.13 119.26 118.41 3lml h ALA 26 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3lml h ALA 26 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3lml h ALA 26 CO -0.15 0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.23 3lml h ALA 27 N 1.59 1.24 0.00 0.00 0.00 -0.27 -1.46 119.26 120.36 3lml h ALA 27 Ca 0.39 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3lml h ALA 27 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3lml h ALA 27 CO -0.16 0.52 -0.18 1.49 0.00 0.00 0.00 179.25 180.92 3lml h GLU 28 N 0.70 0.00 0.00 0.00 4.57 0.16 -2.43 114.58 117.58 3lml h GLU 28 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3lml h GLU 28 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3lml h GLU 28 CO 0.01 0.18 0.00 0.00 -1.18 0.00 0.00 179.01 178.02 3lml h ARG 29 N 0.00 0.00 0.00 1.92 2.47 -0.88 -3.30 114.38 114.60 3lml h ARG 29 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3lml h ARG 29 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3lml h ARG 29 CO 0.02 0.00 -0.81 0.25 0.56 0.00 0.00 179.97 179.99 3lml n THR 30 N -2.61 0.00 -1.55 2.04 -2.24 -1.04 -4.64 114.28 104.23 3lml n THR 30 Ca 0.03 -0.21 -0.52 0.00 -2.27 0.00 0.00 64.05 61.09 3lml n THR 30 Cb 0.36 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3lml n THR 30 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3lml n LYS 31 N -1.44 0.81 -3.56 -0.78 4.81 -0.94 -4.89 118.16 112.16 3lml n LYS 31 Ca -0.00 0.29 -0.30 0.00 -0.87 0.00 0.00 58.31 57.42 3lml n LYS 31 Cb 0.09 -1.79 -0.04 0.00 0.02 0.00 0.00 35.03 33.31 3lml n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3lml s ALA 32 N -0.03 3.72 0.00 3.14 0.00 -1.26 -4.98 121.76 122.35 3lml s ALA 32 Ca 0.79 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3lml s ALA 32 Cb -0.98 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3lml s ALA 32 CO 0.52 0.52 0.00 0.41 0.00 0.00 0.00 175.76 177.21 3lml n GLY 33 N -0.28 0.63 3.66 0.00 0.00 -1.26 -5.05 105.19 102.89 3lml n GLY 33 Ca -0.02 -2.17 -0.45 0.00 0.00 0.00 0.00 46.02 43.38 3lml n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lml n GLU 34 N 0.00 1.95 0.00 1.61 1.02 -1.26 -4.95 120.64 119.01 3lml n GLU 34 Ca 0.00 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3lml n GLU 34 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 3lml n GLU 34 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3lml n ARG 35 N 1.98 1.05 0.00 3.49 5.12 -1.26 -4.94 116.66 122.10 3lml n ARG 35 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3lml n ARG 35 Cb 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 3lml n ARG 35 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3lml n GLY 36 N 1.32 0.00 3.10 -0.13 0.00 -0.82 -0.48 105.19 108.17 3lml n GLY 36 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3lml n GLY 36 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 37 N 0.00 1.53 -0.07 2.61 -1.32 -1.26 -1.40 115.64 115.73 3lml s THR 37 Ca 0.00 -0.70 0.05 0.00 -1.21 0.00 0.00 61.69 59.83 3lml s THR 37 Cb 0.00 -1.37 -0.01 0.00 -1.51 0.00 0.00 72.50 69.61 3lml s THR 37 CO 0.00 0.44 -0.22 0.54 -2.21 0.00 0.00 174.62 173.18 3lml s VAL 38 N 0.64 2.36 -0.20 5.08 0.11 -0.15 -0.49 120.40 127.76 3lml s VAL 38 Ca -0.14 -0.95 -0.27 0.00 -2.93 0.00 0.00 61.98 57.69 3lml s VAL 38 Cb -0.16 -1.89 -0.01 0.00 -1.53 0.00 0.00 36.38 32.79 3lml s VAL 38 CO 0.04 0.57 0.91 0.00 -3.33 0.00 0.00 175.10 173.29 3lml s ALA 39 N -0.16 3.58 -0.09 1.54 0.00 -0.62 -0.07 121.76 125.94 3lml s ALA 39 Ca -0.03 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3lml s ALA 39 Cb -0.14 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3lml s ALA 39 CO 0.04 -0.82 -0.10 -1.17 0.00 0.00 0.00 175.76 173.71 3lml s LEU 40 N 2.58 1.43 -0.05 0.00 0.20 -0.24 -1.85 118.68 120.75 3lml s LEU 40 Ca 0.40 -0.31 -0.24 0.00 0.69 0.00 0.00 54.13 54.67 3lml s LEU 40 Cb -0.16 -0.85 -0.04 0.00 -0.43 0.00 0.00 46.19 44.71 3lml s LEU 40 CO 0.10 -0.05 0.73 -2.16 -0.29 0.00 0.00 176.35 174.68 3lml s PRO 41 N 1.21 4.45 0.25 0.98 0.04 -1.26 -1.02 135.00 139.65 3lml s PRO 41 Ca -0.04 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 3lml s PRO 41 Cb -0.14 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 3lml s PRO 41 CO -0.03 0.07 0.28 -0.51 0.04 0.00 0.00 177.00 176.86 3lml s LEU 42 N 0.75 1.01 -0.19 -3.56 1.43 -0.56 -4.89 118.68 112.66 3lml s LEU 42 Ca 0.39 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.14 3lml s LEU 42 Cb -0.18 0.89 0.01 0.00 0.03 0.00 0.00 46.19 46.94 3lml s LEU 42 CO 0.19 -1.01 -0.15 0.00 0.23 0.00 0.00 176.35 175.62 3lml s ALA 43 N -3.87 2.49 0.28 4.21 0.00 -1.26 -0.93 121.76 122.67 3lml s ALA 43 Ca 0.34 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3lml s ALA 43 Cb 0.03 -1.34 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 3lml s ALA 43 CO 0.15 -0.35 -0.00 0.00 0.00 0.00 0.00 175.76 175.55 3lml s ALA 44 N 1.31 2.20 -0.40 0.00 0.00 -1.26 -4.93 121.76 118.69 3lml s ALA 44 Ca 0.04 -1.92 0.06 0.00 0.00 0.00 0.00 51.96 50.14 3lml s ALA 44 Cb -0.14 0.43 0.68 0.00 0.00 0.00 0.00 23.12 24.09 3lml s ALA 44 CO -0.09 -0.20 1.85 0.43 0.00 0.00 0.00 175.76 177.75 3lml n SER 45 N -0.57 3.92 -3.42 0.00 7.64 -1.26 -4.79 113.62 115.13 3lml n SER 45 Ca -0.04 -3.52 0.02 0.00 1.01 0.00 0.00 58.87 56.34 3lml n SER 45 Cb 0.65 -0.80 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 3lml n SER 45 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3lml s TRP 46 N -3.22 -0.23 0.00 1.43 -0.11 -1.26 -2.79 118.94 112.77 3lml s TRP 46 Ca 0.55 0.42 0.00 0.00 1.22 0.00 0.00 56.10 58.29 3lml s TRP 46 Cb 0.46 0.14 0.00 0.00 -1.50 0.00 0.00 33.47 32.57 3lml s TRP 46 CO 0.11 -0.11 0.00 0.41 -4.62 0.00 0.00 176.95 172.73 3lml n GLY 47 N 4.04 2.33 0.41 5.86 0.00 -1.26 -4.50 105.19 112.08 3lml n GLY 47 Ca -0.12 -1.22 0.25 0.00 0.00 0.00 0.00 46.02 44.93 3lml n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml h ALA 48 N 0.00 2.30 -2.62 4.61 0.00 -1.88 -3.41 119.26 118.26 3lml h ALA 48 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3lml h ALA 48 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3lml h ALA 48 CO 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 179.25 178.08 3lml n ALA 49 N -2.48 -2.57 -1.24 0.00 0.00 -1.26 -4.63 120.51 108.33 3lml n ALA 49 Ca 0.27 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 3lml n ALA 49 Cb 0.96 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 3lml n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3lml n LYS 50 N 0.84 -0.84 -4.05 0.00 5.02 -1.06 -4.99 118.16 113.08 3lml n LYS 50 Ca 0.00 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 56.94 3lml n LYS 50 Cb 0.00 -4.65 -0.10 0.00 -0.02 0.00 0.00 35.03 30.26 3lml n LYS 50 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3lml s GLU 51 N -2.45 0.54 0.60 1.97 2.02 -1.26 -4.98 118.70 115.15 3lml s GLU 51 Ca 0.00 -1.05 -0.09 0.00 0.02 0.00 0.00 54.97 53.86 3lml s GLU 51 Cb 0.00 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.41 3lml s GLU 51 CO 0.00 -0.10 0.96 -0.06 0.02 0.00 0.00 175.26 176.08 3lml s PHE 52 N -3.27 3.44 -0.06 1.61 0.08 -1.26 -2.78 117.98 115.74 3lml s PHE 52 Ca 0.01 0.96 -0.02 0.00 0.12 0.00 0.00 56.93 58.00 3lml s PHE 52 Cb 0.03 -2.72 0.04 0.00 -0.57 0.00 0.00 43.02 39.80 3lml s PHE 52 CO -0.08 -0.76 0.12 0.08 -0.10 0.00 0.00 175.22 174.48 3lml s VAL 53 N -3.08 -0.07 -0.20 -0.44 1.01 0.79 -4.97 120.40 113.44 3lml s VAL 53 Ca 0.54 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.58 3lml s VAL 53 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3lml s VAL 53 CO 0.49 0.09 0.35 -0.70 0.00 0.00 0.00 175.10 175.33 3lml s GLU 54 N 1.28 4.18 -0.04 2.72 2.12 -1.26 -0.99 118.70 126.72 3lml s GLU 54 Ca -0.08 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.41 3lml s GLU 54 Cb -0.12 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3lml s GLU 54 CO -0.05 0.02 -0.09 0.96 -0.54 0.00 0.00 175.26 175.55 3lml s ILE 55 N 1.14 0.83 0.00 -3.70 -4.36 -0.87 -4.97 121.20 109.28 3lml s ILE 55 Ca 0.17 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.20 3lml s ILE 55 Cb -0.14 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 42.81 3lml s ILE 55 CO 0.07 0.27 0.00 0.59 0.24 0.00 0.00 174.94 176.11 3lml n ASN 56 N 3.47 2.83 -4.31 4.36 3.02 -1.26 -1.90 115.26 121.47 3lml n ASN 56 Ca -0.20 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.09 3lml n ASN 56 Cb 0.53 0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.98 3lml n ASN 56 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3lml s LYS 57 N -1.38 1.28 0.29 3.52 3.01 -1.26 -4.94 119.74 120.26 3lml s LYS 57 Ca 0.00 -1.18 0.03 0.00 -1.01 0.00 0.00 55.97 53.82 3lml s LYS 57 Cb 0.00 -1.58 0.70 0.00 -1.01 0.00 0.00 37.83 35.94 3lml s LYS 57 CO 0.00 0.38 1.72 1.49 0.51 0.00 0.00 175.35 179.44 3lml h GLU 58 N 4.19 0.46 -0.95 1.68 4.81 -2.02 0.08 114.58 122.82 3lml h GLU 58 Ca -0.47 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.87 3lml h GLU 58 Cb 1.17 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.37 3lml h GLU 58 CO 0.40 0.30 0.61 1.05 -0.73 0.00 0.00 179.01 180.64 3lml h GLU 59 N 0.47 0.83 -0.82 1.92 9.09 -1.99 -1.45 114.58 122.62 3lml h GLU 59 Ca 0.55 -0.05 0.13 0.00 0.05 0.00 0.00 59.36 60.04 3lml h GLU 59 Cb 0.99 -0.19 -0.09 0.00 -1.65 0.00 0.00 28.75 27.81 3lml h GLU 59 CO -0.48 0.55 0.42 -0.44 0.05 0.00 0.00 179.01 179.11 3lml h ASP 60 N 0.86 0.53 0.19 3.06 3.45 -1.37 -1.19 116.42 121.94 3lml h ASP 60 Ca 0.48 0.08 0.01 0.00 0.43 0.00 0.00 57.03 58.03 3lml h ASP 60 Cb 0.60 -0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.33 3lml h ASP 60 CO -0.24 0.25 -0.41 0.58 -1.57 0.00 0.00 179.24 177.84 3lml h VAL 61 N 0.64 0.17 -0.41 -1.35 2.07 -1.32 -0.04 116.25 116.01 3lml h VAL 61 Ca 0.44 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.90 3lml h VAL 61 Cb 0.57 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3lml h VAL 61 CO -0.33 0.00 0.06 -0.08 0.02 0.00 0.00 177.57 177.23 3lml h GLU 62 N -0.69 0.69 -0.17 1.57 4.81 -1.10 0.22 114.58 119.92 3lml h GLU 62 Ca 0.01 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 3lml h GLU 62 Cb 0.69 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3lml h GLU 62 CO -0.20 0.74 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.49 3lml h LYS 63 N 0.54 0.26 0.00 1.92 3.64 -1.09 0.18 116.57 122.01 3lml h LYS 63 Ca 0.12 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 3lml h LYS 63 Cb 0.39 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3lml h LYS 63 CO 0.01 0.38 -2.07 1.63 -2.27 0.00 0.00 179.45 177.13 3lml n LYS 64 N -4.29 0.67 0.00 1.90 5.02 -0.04 -4.55 118.16 116.87 3lml n LYS 64 Ca -0.01 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3lml n LYS 64 Cb 0.26 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3lml n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3lml n LEU 65 N -2.57 1.57 0.00 -0.35 4.32 0.78 -4.58 117.00 116.17 3lml n LEU 65 Ca -0.17 -1.57 0.00 0.00 -0.02 0.00 0.00 56.01 54.25 3lml n LEU 65 Cb 0.86 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.66 3lml n LEU 65 CO 0.44 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.61 3lml n GLY 66 N -0.31 1.46 3.48 -0.72 0.00 0.62 -4.31 105.19 105.41 3lml n GLY 66 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3lml n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lml s LEU 67 N 0.00 2.47 0.41 0.99 2.01 -1.25 -4.96 118.68 118.35 3lml s LEU 67 Ca 0.00 -1.28 -0.23 0.00 0.01 0.00 0.00 54.13 52.63 3lml s LEU 67 Cb 0.00 -0.63 -0.10 0.00 0.01 0.00 0.00 46.19 45.48 3lml s LEU 67 CO 0.00 -0.44 0.98 -0.55 1.01 0.00 0.00 176.35 177.36 3lml s SER 68 N -3.52 6.91 0.65 2.29 0.15 -1.26 -2.36 113.70 116.56 3lml s SER 68 Ca 0.33 1.83 0.43 0.00 0.70 0.00 0.00 55.95 59.24 3lml s SER 68 Cb 0.06 -2.56 2.29 0.00 -1.71 0.00 0.00 66.02 64.10 3lml s SER 68 CO 0.14 -0.38 2.33 0.25 1.20 0.00 0.00 173.24 176.78 3lml h LEU 69 N 2.28 0.00 -0.00 3.45 5.85 -1.93 0.84 115.31 125.81 3lml h LEU 69 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3lml h LEU 69 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3lml h LEU 69 CO 0.62 0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.71 3lml n ALA 70 N -2.10 2.37 -0.67 1.25 0.00 -1.26 -4.72 120.51 115.38 3lml n ALA 70 Ca -0.03 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 3lml n ALA 70 Cb 0.09 -1.46 0.17 0.00 0.00 0.00 0.00 19.45 18.25 3lml n ALA 70 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3lml n HIS 71 N -1.48 0.35 0.29 0.00 -0.00 0.29 -4.89 115.22 109.77 3lml n HIS 71 Ca 0.07 0.33 0.15 0.00 -0.00 0.00 0.00 57.72 58.28 3lml n HIS 71 Cb 0.33 -1.94 0.51 0.00 -0.00 0.00 0.00 29.99 28.89 3lml n HIS 71 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 3lml h GLN 72 N -1.92 0.00 0.00 1.57 5.75 -1.90 -3.01 115.11 115.60 3lml h GLN 72 Ca -0.45 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.01 3lml h GLN 72 Cb 1.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 3lml h GLN 72 CO 0.41 0.00 -0.20 0.77 -2.65 0.00 0.00 178.83 177.16 3lml h SER 73 N 0.00 0.00 -0.72 -0.69 0.02 -1.92 -3.11 113.55 107.13 3lml h SER 73 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 3lml h SER 73 Cb 0.64 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 62.95 3lml h SER 73 CO 0.00 0.20 0.30 0.49 -1.14 0.00 0.00 176.83 176.67 3lml n PHE 74 N -3.60 2.25 0.22 3.45 3.01 -1.14 -4.71 117.46 116.95 3lml n PHE 74 Ca -0.01 -1.91 -0.15 0.00 1.01 0.00 0.00 57.45 56.40 3lml n PHE 74 Cb 0.33 -0.79 -0.08 0.00 -0.01 0.00 0.00 39.48 38.94 3lml n PHE 74 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3lml h LEU 75 N 1.17 -1.15 -0.96 4.37 6.46 -1.71 -1.11 115.31 122.38 3lml h LEU 75 Ca 0.45 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 58.41 3lml h LEU 75 Cb 2.08 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 42.32 3lml h LEU 75 CO 0.85 -0.53 0.60 -0.07 -0.62 0.00 0.00 178.44 178.66 3lml h LEU 76 N -0.80 0.90 -0.16 2.25 3.38 -1.89 -2.20 115.31 116.80 3lml h LEU 76 Ca -0.05 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3lml h LEU 76 Cb 0.70 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3lml h LEU 76 CO -0.07 0.51 -0.13 0.25 0.09 0.00 0.00 178.44 179.09 3lml h LEU 77 N 0.99 -0.41 -0.58 1.67 5.85 -1.78 -1.03 115.31 120.02 3lml h LEU 77 Ca 0.46 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.31 3lml h LEU 77 Cb 0.37 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 3lml h LEU 77 CO -0.24 -0.17 0.31 0.03 -0.34 0.00 0.00 178.44 178.03 3lml h ARG 78 N -0.14 0.58 -0.29 1.25 3.08 -0.60 -0.74 114.38 117.51 3lml h ARG 78 Ca 0.10 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3lml h ARG 78 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3lml h ARG 78 CO -0.24 0.38 0.19 0.93 -1.07 0.00 0.00 179.97 180.16 3lml h GLU 79 N 0.59 0.36 -0.09 0.04 4.39 -1.03 -1.71 114.58 117.13 3lml h GLU 79 Ca 0.26 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 3lml h GLU 79 Cb 0.15 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3lml h GLU 79 CO -0.17 0.23 -0.25 1.15 -1.16 0.00 0.00 179.01 178.82 3lml h THR 80 N 0.37 1.41 0.00 1.13 2.02 -0.12 -3.06 112.91 114.66 3lml h THR 80 Ca 0.11 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.69 3lml h THR 80 Cb -0.01 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3lml h THR 80 CO -0.02 0.46 0.00 0.18 0.37 0.00 0.00 175.52 176.50 3lml n LEU 81 N -4.48 0.22 0.28 2.58 4.77 -0.39 -1.75 117.00 118.22 3lml n LEU 81 Ca -0.08 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3lml n LEU 81 Cb 0.45 -0.60 0.81 0.00 -2.33 0.00 0.00 43.42 41.75 3lml n LEU 81 CO 0.40 -0.60 1.08 0.11 -1.33 0.00 0.00 177.39 177.05 3lml h LYS 82 N 0.00 0.00 0.00 3.23 1.57 -1.22 -3.32 116.57 116.82 3lml h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lml h LYS 82 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3lml h LYS 82 CO 0.00 0.03 -0.18 1.28 -0.57 0.00 0.00 179.45 180.01 3lml n LEU 83 N -3.98 0.00 -4.77 2.94 4.77 -1.05 -5.07 117.00 109.85 3lml n LEU 83 Ca -0.03 -0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 3lml n LEU 83 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3lml n LEU 83 CO 0.30 0.00 0.53 0.00 -1.33 0.00 0.00 177.39 176.89 3lml s ALA 84 N -0.37 3.42 0.05 -1.18 0.00 -0.72 -4.49 121.76 118.47 3lml s ALA 84 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 3lml s ALA 84 Cb 0.00 -3.03 -0.27 0.00 0.00 0.00 0.00 23.12 19.82 3lml s ALA 84 CO 0.00 0.27 1.11 -0.22 0.00 0.00 0.00 175.76 176.92 3lml h LYS 85 N 4.29 0.61 -5.24 0.00 3.64 0.44 -3.42 116.57 116.89 3lml h LYS 85 Ca -0.46 -0.76 -0.43 0.00 -1.27 0.00 0.00 60.65 57.72 3lml h LYS 85 Cb 1.20 0.24 -0.25 0.00 -0.41 0.00 0.00 32.23 33.02 3lml h LYS 85 CO 0.67 1.34 -0.79 0.99 -2.27 0.00 0.00 179.45 179.38 3lml s THR 86 N -3.05 1.06 -0.09 1.00 2.01 -0.91 -4.66 115.64 111.00 3lml s THR 86 Ca -0.10 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 60.96 3lml s THR 86 Cb 0.05 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.63 3lml s THR 86 CO 0.91 0.01 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.08 3lml s VAL 87 N -0.81 1.03 -0.85 3.82 1.01 -0.80 -0.98 120.40 122.82 3lml s VAL 87 Ca 0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 3lml s VAL 87 Cb -0.08 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.50 3lml s VAL 87 CO 0.01 0.35 0.86 -0.76 0.00 0.00 0.00 175.10 175.56 3lml s LEU 88 N 1.22 6.28 0.03 3.92 1.43 0.90 -2.04 118.68 130.42 3lml s LEU 88 Ca -0.04 -2.49 -0.30 0.00 -1.03 0.00 0.00 54.13 50.26 3lml s LEU 88 Cb -0.14 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3lml s LEU 88 CO -0.03 -0.72 1.00 0.54 0.23 0.00 0.00 176.35 177.38 3lml s VAL 89 N 0.89 4.69 -0.20 -1.59 0.11 -0.16 -1.07 120.40 123.07 3lml s VAL 89 Ca 0.22 1.99 -0.05 0.00 -2.93 0.00 0.00 61.98 61.20 3lml s VAL 89 Cb -0.09 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.46 3lml s VAL 89 CO -0.09 0.19 -0.00 -0.47 -3.33 0.00 0.00 175.10 171.39 3lml s TYR 90 N 0.81 3.03 -0.43 1.54 5.04 -0.19 -0.15 117.35 126.99 3lml s TYR 90 Ca 0.52 -0.51 -0.29 0.00 -2.44 0.00 0.00 57.07 54.35 3lml s TYR 90 Cb -0.23 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.01 3lml s TYR 90 CO 0.29 -0.28 1.40 0.50 -1.34 0.00 0.00 175.55 176.12 3lml s ARG 91 N 1.07 3.55 0.02 4.97 3.52 -1.12 -1.50 118.95 129.45 3lml s ARG 91 Ca 0.02 0.87 -0.24 0.00 -0.13 0.00 0.00 55.73 56.25 3lml s ARG 91 Cb -0.14 -4.03 -0.17 0.00 -1.56 0.00 0.00 34.95 29.04 3lml s ARG 91 CO 0.01 -1.60 1.40 -0.07 -0.81 0.00 0.00 175.30 174.23 3lml h LEU 92 N 12.26 0.08 0.00 -0.88 3.38 -1.40 -2.82 115.31 125.93 3lml h LEU 92 Ca -0.27 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3lml h LEU 92 Cb 1.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3lml h LEU 92 CO 1.10 0.43 0.00 -0.46 0.09 0.00 0.00 178.44 179.60 3lml n ASN 93 N -4.85 0.00 -0.88 -0.43 0.23 -1.26 -4.72 115.26 103.34 3lml n ASN 93 Ca -0.07 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 3lml n ASN 93 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 3lml n ASN 93 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3lml n ASP 94 N -0.19 0.00 0.00 0.53 4.64 -1.26 -4.37 116.55 115.89 3lml n ASP 94 Ca 0.00 -0.88 0.00 0.00 -1.38 0.00 0.00 54.79 52.53 3lml n ASP 94 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3lml n ASP 94 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3lml n GLY 95 N 0.00 -0.22 3.77 0.27 0.00 -1.26 -1.58 105.19 106.17 3lml n GLY 95 Ca 0.00 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3lml n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lml s ILE 96 N -2.00 2.66 -0.15 -0.61 -1.09 0.63 -4.10 121.20 116.53 3lml s ILE 96 Ca 0.00 0.64 -0.20 0.00 -2.23 0.00 0.00 60.65 58.86 3lml s ILE 96 Cb 0.00 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3lml s ILE 96 CO 0.00 0.14 0.58 -0.54 -1.23 0.00 0.00 174.94 173.88 3lml s LYS 97 N -1.95 4.28 0.43 2.79 1.02 -1.26 -1.89 119.74 123.16 3lml s LYS 97 Ca 0.51 0.58 -0.26 0.00 0.02 0.00 0.00 55.97 56.82 3lml s LYS 97 Cb -0.39 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.31 3lml s LYS 97 CO 0.52 -0.06 1.43 0.00 -0.92 0.00 0.00 175.35 176.32 3lml n ALA 98 N 4.39 2.04 -2.42 5.17 0.00 -1.26 -4.63 120.51 123.80 3lml n ALA 98 Ca -0.04 0.27 -0.23 0.00 0.00 0.00 0.00 53.44 53.44 3lml n ALA 98 Cb 0.51 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 3lml n ALA 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 99 N -1.17 0.30 0.00 0.00 2.01 -0.24 -0.41 115.64 116.12 3lml s THR 99 Ca 0.59 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.59 3lml s THR 99 Cb -0.46 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 69.67 3lml s THR 99 CO 0.59 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.52 3lml n ALA 100 N -0.81 0.00 -3.03 7.40 0.00 -0.96 -0.46 120.51 122.65 3lml n ALA 100 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3lml n ALA 100 Cb 0.64 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 3lml n ALA 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 101 N -2.00 4.27 0.34 0.00 2.01 -1.26 -0.73 115.64 118.28 3lml s THR 101 Ca 0.00 -0.56 -0.22 0.00 0.31 0.00 0.00 61.69 61.22 3lml s THR 101 Cb 0.00 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.22 3lml s THR 101 CO 0.00 0.07 0.88 -0.22 -0.69 0.00 0.00 174.62 174.67 3lml s LEU 102 N 1.56 4.17 0.00 4.42 0.20 -0.76 -4.86 118.68 123.40 3lml s LEU 102 Ca 0.04 1.65 0.00 0.00 0.69 0.00 0.00 54.13 56.50 3lml s LEU 102 Cb -0.17 -4.14 0.00 0.00 -0.43 0.00 0.00 46.19 41.45 3lml s LEU 102 CO 0.04 -0.17 0.00 0.00 -0.29 0.00 0.00 176.35 175.93 3lml n ALA 103 N 0.05 0.00 -3.95 5.97 0.00 -1.26 -2.88 120.51 118.44 3lml n ALA 103 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 3lml n ALA 103 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 3lml n ALA 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3lml s THR 104 N 0.00 1.66 -1.10 0.00 2.01 -0.95 -4.88 115.64 112.38 3lml s THR 104 Ca 0.00 -1.41 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 3lml s THR 104 Cb 0.00 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.58 3lml s THR 104 CO 0.00 -0.18 0.70 0.47 -0.69 0.00 0.00 174.62 174.92 3lml n ASP 105 N 4.60 -4.77 -3.39 3.53 9.92 -1.22 -2.51 116.55 122.71 3lml n ASP 105 Ca -0.10 -1.11 -0.26 0.00 -0.53 0.00 0.00 54.79 52.79 3lml n ASP 105 Cb 0.43 -2.29 -0.09 0.00 -0.64 0.00 0.00 41.12 38.53 3lml n ASP 105 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3lml n VAL 106 N -4.23 0.34 -1.57 2.53 0.31 -1.14 -4.39 118.33 110.19 3lml n VAL 106 Ca -0.14 -4.34 -0.48 0.00 -0.01 0.00 0.00 64.34 59.37 3lml n VAL 106 Cb 0.59 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 3lml n VAL 106 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3lml n VAL 107 N 1.61 0.36 -3.84 2.52 0.31 -1.25 -1.83 118.33 116.21 3lml n VAL 107 Ca 0.25 -0.26 -0.36 0.00 -0.01 0.00 0.00 64.34 63.96 3lml n VAL 107 Cb 0.46 -1.95 -0.13 0.00 -0.91 0.00 0.00 33.84 31.31 3lml n VAL 107 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3lml s VAL 108 N 6.49 3.52 0.07 2.52 1.01 0.10 -1.40 120.40 132.71 3lml s VAL 108 Ca 1.02 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3lml s VAL 108 Cb -0.67 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3lml s VAL 108 CO 0.47 0.07 -0.16 0.42 0.00 0.00 0.00 175.10 175.90 3lml s THR 109 N 1.41 2.98 0.68 3.92 -4.23 -0.93 -2.25 115.64 117.22 3lml s THR 109 Ca 0.01 -1.27 -0.16 0.00 -1.18 0.00 0.00 61.69 59.09 3lml s THR 109 Cb -0.17 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3lml s THR 109 CO -0.00 0.23 1.19 0.00 -0.54 0.00 0.00 174.62 175.50 3lml s ALA 110 N -1.05 2.28 0.01 3.99 0.00 0.45 -0.56 121.76 126.88 3lml s ALA 110 Ca 0.17 0.85 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 3lml s ALA 110 Cb -0.11 -3.44 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 3lml s ALA 110 CO 0.08 -1.60 1.29 -0.22 0.00 0.00 0.00 175.76 175.32 3lml h LYS 111 N 0.05 -0.33 -6.23 0.00 3.64 -1.59 -3.44 116.57 108.67 3lml h LYS 111 Ca -0.48 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.41 3lml h LYS 111 Cb 1.29 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 3lml h LYS 111 CO 0.52 -0.01 -0.28 0.71 -2.27 0.00 0.00 179.45 178.11 3lml s TYR 112 N -4.78 2.08 -0.03 1.91 2.02 -1.26 -5.07 117.35 112.22 3lml s TYR 112 Ca -0.14 -0.65 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 3lml s TYR 112 Cb 0.02 -2.12 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3lml s TYR 112 CO 0.57 -0.49 0.27 0.20 -1.57 0.00 0.00 175.55 174.53 3lml s GLY 113 N -4.32 2.28 0.00 0.71 0.00 -1.26 -4.57 107.32 100.16 3lml s GLY 113 Ca 0.47 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3lml s GLY 113 CO 0.29 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.75 3lml n GLY 114 N 1.54 4.12 0.05 0.20 0.00 -0.79 -4.01 105.19 106.29 3lml n GLY 114 Ca -0.14 -1.48 0.05 0.00 0.00 0.00 0.00 46.02 44.44 3lml n GLY 114 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3lml n ILE 115 N -1.91 1.52 0.22 -0.61 -5.35 -1.24 -1.30 119.36 110.68 3lml n ILE 115 Ca 0.00 0.51 0.08 0.00 -0.27 0.00 0.00 62.75 63.07 3lml n ILE 115 Cb 0.00 -1.47 0.47 0.00 -1.74 0.00 0.00 39.64 36.90 3lml n ILE 115 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3lml h VAL 116 N 0.00 0.74 0.00 7.28 2.07 -1.87 -2.24 116.25 122.23 3lml h VAL 116 Ca 0.00 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3lml h VAL 116 Cb 0.06 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3lml h VAL 116 CO 0.00 0.26 -0.06 1.23 0.02 0.00 0.00 177.57 179.02 3lml h GLY 117 N 1.68 0.00 1.24 2.17 0.00 -1.43 -2.32 103.07 104.41 3lml h GLY 117 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lml h GLY 117 CO 0.03 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.27 3lml n ASN 118 N -3.35 0.00 -0.62 0.19 3.02 -0.84 -1.94 115.26 111.72 3lml n ASN 118 Ca -0.01 -0.48 0.10 0.00 -0.03 0.00 0.00 54.58 54.16 3lml n ASN 118 Cb 0.22 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3lml n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3lml n SER 119 N -1.12 2.27 -4.76 6.41 7.64 -0.87 -4.77 113.62 118.42 3lml n SER 119 Ca 0.16 -1.64 -0.40 0.00 1.01 0.00 0.00 58.87 58.00 3lml n SER 119 Cb 0.13 0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 3lml n SER 119 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3lml s ILE 120 N -2.12 4.52 -0.18 0.44 1.01 -0.82 -2.34 121.20 121.71 3lml s ILE 120 Ca 0.20 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.46 3lml s ILE 120 Cb 0.17 -4.14 0.08 0.00 0.01 0.00 0.00 42.46 38.58 3lml s ILE 120 CO 0.43 0.45 0.41 0.28 0.00 0.00 0.00 174.94 176.50 3lml s THR 121 N -0.65 -0.38 -0.21 2.92 -1.32 -0.77 -1.72 115.64 113.50 3lml s THR 121 Ca 0.37 0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.88 3lml s THR 121 Cb -0.22 -0.63 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 3lml s THR 121 CO 0.25 0.06 0.20 -0.63 -2.21 0.00 0.00 174.62 172.29 3lml s ILE 122 N 2.11 5.35 -0.27 5.08 1.09 -0.96 -0.73 121.20 132.87 3lml s ILE 122 Ca -0.05 0.31 0.03 0.00 -1.10 0.00 0.00 60.65 59.84 3lml s ILE 122 Cb -0.11 -3.54 0.07 0.00 -1.06 0.00 0.00 42.46 37.82 3lml s ILE 122 CO -0.12 0.37 -0.08 -0.75 -0.10 0.00 0.00 174.94 174.25 3lml s LYS 123 N 0.77 2.12 -0.27 2.79 2.20 -0.67 -2.11 119.74 124.57 3lml s LYS 123 Ca 0.10 -1.43 -0.10 0.00 -0.36 0.00 0.00 55.97 54.18 3lml s LYS 123 Cb -0.13 -2.94 -0.05 0.00 -1.51 0.00 0.00 37.83 33.21 3lml s LYS 123 CO 0.03 -0.63 0.16 0.54 -0.36 0.00 0.00 175.35 175.09 3lml s VAL 124 N 1.07 5.11 0.27 4.02 0.11 -1.16 -2.35 120.40 127.48 3lml s VAL 124 Ca -0.06 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.10 3lml s VAL 124 Cb -0.20 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 3lml s VAL 124 CO -0.05 0.28 0.05 0.47 -3.33 0.00 0.00 175.10 172.52 3lml n ASP 125 N 4.91 2.56 -4.90 3.54 10.43 -0.83 -0.23 116.55 132.04 3lml n ASP 125 Ca -0.15 -2.14 -0.33 0.00 2.57 0.00 0.00 54.79 54.74 3lml n ASP 125 Cb 0.52 0.14 -0.05 0.00 1.84 0.00 0.00 41.12 43.57 3lml n ASP 125 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3lml s GLU 126 N -3.02 3.52 0.10 -1.24 2.12 -1.26 0.36 118.70 119.28 3lml s GLU 126 Ca 0.04 -0.20 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 3lml s GLU 126 Cb -0.00 -3.06 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 3lml s GLU 126 CO 0.02 0.64 1.22 1.21 -0.54 0.00 0.00 175.26 177.81 3lml s ASN 127 N -1.94 7.05 0.11 -1.70 3.04 0.15 -4.52 114.94 117.14 3lml s ASN 127 Ca 0.29 2.11 0.09 0.00 0.04 0.00 0.00 52.86 55.39 3lml s ASN 127 Cb -0.13 -2.59 -0.19 0.00 -1.54 0.00 0.00 41.25 36.81 3lml s ASN 127 CO 0.19 -0.46 1.22 -0.37 -3.04 0.00 0.00 177.10 174.64 3lml h VAL 128 N 4.28 1.52 -0.43 -5.21 -1.51 -1.97 -2.97 116.25 109.97 3lml h VAL 128 Ca -0.42 -3.22 0.00 0.00 -1.23 0.00 0.00 66.70 61.83 3lml h VAL 128 Cb 1.21 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 33.12 3lml h VAL 128 CO 0.80 0.87 0.00 0.52 -1.23 0.00 0.00 177.57 178.53 3lml n VAL 129 N -3.30 1.25 0.00 7.19 0.31 -1.26 -4.60 118.33 117.93 3lml n VAL 129 Ca -0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 3lml n VAL 129 Cb 0.93 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 3lml n VAL 129 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3lml n ASP 130 N 0.66 0.00 0.13 4.52 4.64 -1.23 -5.03 116.55 120.24 3lml n ASP 130 Ca 0.17 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.63 3lml n ASP 130 Cb 0.65 0.00 0.26 0.00 -1.04 0.00 0.00 41.12 40.99 3lml n ASP 130 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3lml n SER 131 N 0.00 0.24 0.10 1.67 2.88 -1.12 -0.72 113.62 116.68 3lml n SER 131 Ca 0.00 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.15 3lml n SER 131 Cb 0.00 -0.42 0.40 0.00 -0.75 0.00 0.00 64.21 63.43 3lml n SER 131 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3lml n SER 132 N -1.85 0.80 -4.78 -3.46 3.41 -1.26 -4.71 113.62 101.76 3lml n SER 132 Ca -0.01 0.55 -0.23 0.00 -0.26 0.00 0.00 58.87 58.93 3lml n SER 132 Cb 0.32 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 3lml n SER 132 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3lml s LYS 133 N -3.10 2.39 0.22 4.33 1.02 0.11 -4.75 119.74 119.95 3lml s LYS 133 Ca 0.11 -1.63 0.11 0.00 0.02 0.00 0.00 55.97 54.58 3lml s LYS 133 Cb 0.12 -2.19 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 3lml s LYS 133 CO 0.60 -0.05 -0.20 0.15 -0.92 0.00 0.00 175.35 174.93 3lml s LYS 134 N -3.95 1.65 -0.91 1.68 3.01 0.41 0.32 119.74 121.94 3lml s LYS 134 Ca 0.42 -1.57 -0.06 0.00 -1.01 0.00 0.00 55.97 53.76 3lml s LYS 134 Cb -0.01 -1.87 0.23 0.00 -1.01 0.00 0.00 37.83 35.17 3lml s LYS 134 CO 0.24 0.38 0.83 -0.51 0.51 0.00 0.00 175.35 176.80 3lml s ASP 135 N -2.97 6.38 -0.42 2.83 -0.00 0.16 -2.66 116.67 119.98 3lml s ASP 135 Ca 0.24 -3.45 -0.26 0.00 -0.00 0.00 0.00 52.55 49.08 3lml s ASP 135 Cb -0.07 -2.03 0.02 0.00 -0.00 0.00 0.00 42.92 40.85 3lml s ASP 135 CO 0.12 -0.29 0.97 -0.69 -0.00 0.00 0.00 175.17 175.29 3lml s VAL 136 N -0.97 4.47 0.13 -1.27 1.01 -0.65 -1.96 120.40 121.16 3lml s VAL 136 Ca 0.26 1.06 0.11 0.00 0.00 0.00 0.00 61.98 63.41 3lml s VAL 136 Cb -0.10 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3lml s VAL 136 CO -0.10 -0.73 -0.27 0.42 0.00 0.00 0.00 175.10 174.43 3lml s THR 137 N 3.76 2.26 -0.08 3.92 -4.23 -0.99 -0.29 115.64 119.99 3lml s THR 137 Ca 0.40 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3lml s THR 137 Cb -0.10 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 3lml s THR 137 CO 0.24 0.09 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.36 3lml s THR 138 N -1.07 2.94 0.19 3.99 2.01 0.17 -1.67 115.64 122.20 3lml s THR 138 Ca 0.14 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.50 3lml s THR 138 Cb -0.10 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3lml s THR 138 CO 0.06 0.56 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.11 3lml s TYR 139 N -0.26 2.54 -0.37 4.92 1.51 0.09 -1.03 117.35 124.76 3lml s TYR 139 Ca 0.01 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3lml s TYR 139 Cb -0.13 -1.24 0.13 0.00 -0.11 0.00 0.00 41.96 40.62 3lml s TYR 139 CO 0.03 0.52 0.21 -1.17 -1.11 0.00 0.00 175.55 174.02 3lml s LEU 140 N -2.82 1.41 -0.12 -1.29 2.96 -0.25 -1.85 118.68 116.71 3lml s LEU 140 Ca 0.24 -2.21 -0.00 0.00 -0.22 0.00 0.00 54.13 51.94 3lml s LEU 140 Cb -0.08 -0.57 0.00 0.00 0.50 0.00 0.00 46.19 46.04 3lml s LEU 140 CO 0.14 -0.31 0.11 0.59 -1.32 0.00 0.00 176.35 175.55 3lml n ASN 141 N 4.04 -2.24 -0.21 3.68 5.03 -0.99 -3.64 115.26 120.93 3lml n ASN 141 Ca 0.09 -0.05 -0.03 0.00 0.87 0.00 0.00 54.58 55.46 3lml n ASN 141 Cb 0.37 -0.94 -0.01 0.00 -1.02 0.00 0.00 39.78 38.18 3lml n ASN 141 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3lml n GLU 142 N -1.09 -0.88 -4.24 3.52 4.71 -1.26 -4.99 120.64 116.41 3lml n GLU 142 Ca -0.01 0.41 -0.28 0.00 -0.01 0.00 0.00 57.16 57.27 3lml n GLU 142 Cb 0.51 -4.18 -0.17 0.00 -1.01 0.00 0.00 31.44 26.59 3lml n GLU 142 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3lml s VAL 143 N -1.75 1.35 0.44 2.62 0.11 -1.24 -5.09 120.40 116.84 3lml s VAL 143 Ca 0.00 -0.53 -0.25 0.00 -2.93 0.00 0.00 61.98 58.26 3lml s VAL 143 Cb 0.00 -1.27 -0.09 0.00 -1.53 0.00 0.00 36.38 33.49 3lml s VAL 143 CO 0.00 0.42 1.35 0.00 -3.33 0.00 0.00 175.10 173.53 3lml n ALA 144 N 4.46 1.65 -0.36 1.54 0.00 -1.26 -1.09 120.51 125.46 3lml n ALA 144 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3lml n ALA 144 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3lml n ALA 144 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3lml n VAL 145 N -0.21 0.00 -3.45 0.00 0.24 -0.20 -4.86 118.33 109.85 3lml n VAL 145 Ca 0.06 -0.05 0.01 0.00 -2.04 0.00 0.00 64.34 62.32 3lml n VAL 145 Cb 0.40 1.36 -0.04 0.00 -1.47 0.00 0.00 33.84 34.09 3lml n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3lml s ASP 146 N -0.06 -0.66 -0.09 -1.34 2.15 -1.21 -4.98 116.67 110.49 3lml s ASP 146 Ca 0.00 0.91 0.02 0.00 0.43 0.00 0.00 52.55 53.91 3lml s ASP 146 Cb 0.00 1.72 0.01 0.00 -0.30 0.00 0.00 42.92 44.35 3lml s ASP 146 CO 0.00 -0.13 -0.14 -0.75 -0.17 0.00 0.00 175.17 173.98 3lml s LYS 147 N 2.44 2.00 -0.09 4.34 2.20 -1.26 0.43 119.74 129.80 3lml s LYS 147 Ca -0.03 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 3lml s LYS 147 Cb -0.07 -1.68 0.01 0.00 -1.51 0.00 0.00 37.83 34.58 3lml s LYS 147 CO -0.18 -0.01 -0.17 -0.65 -0.36 0.00 0.00 175.35 173.98 3lml s GLN 148 N 0.83 2.27 -0.81 4.03 -0.21 0.60 -4.99 119.66 121.38 3lml s GLN 148 Ca -0.11 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 54.55 3lml s GLN 148 Cb -0.15 -1.83 0.21 0.00 1.00 0.00 0.00 33.01 32.24 3lml s GLN 148 CO 0.01 0.04 0.73 0.08 -2.12 0.00 0.00 175.29 174.04 3lml s VAL 149 N 0.67 5.38 0.31 1.09 1.01 -1.26 -1.64 120.40 125.96 3lml s VAL 149 Ca -0.13 -2.55 0.10 0.00 0.00 0.00 0.00 61.98 59.39 3lml s VAL 149 Cb -0.16 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3lml s VAL 149 CO 0.04 -1.01 -0.03 0.68 0.00 0.00 0.00 175.10 174.78 3lml s VAL 150 N 0.11 2.77 -0.26 2.92 -7.23 -1.09 -4.90 120.40 112.73 3lml s VAL 150 Ca 0.18 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3lml s VAL 150 Cb -0.11 -2.72 -0.16 0.00 0.56 0.00 0.00 36.38 33.94 3lml s VAL 150 CO -0.08 -0.27 -0.24 0.61 -0.31 0.00 0.00 175.10 174.81 3lml n GLY 151 N -0.88 -0.39 3.60 2.32 0.00 -1.26 -0.44 105.19 108.13 3lml n GLY 151 Ca -0.05 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3lml n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 152 N -2.52 3.11 0.49 2.61 -1.32 -1.26 -4.77 115.64 111.98 3lml s THR 152 Ca -0.36 -2.05 0.13 0.00 -1.21 0.00 0.00 61.69 58.20 3lml s THR 152 Cb 0.10 -2.69 0.27 0.00 -1.51 0.00 0.00 72.50 68.67 3lml s THR 152 CO 0.58 -0.37 2.12 0.00 -2.21 0.00 0.00 174.62 174.74 3lml h ALA 153 N 1.98 1.91 -0.35 11.08 0.00 -1.95 -2.01 119.26 129.92 3lml h ALA 153 Ca -0.43 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 3lml h ALA 153 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3lml h ALA 153 CO 0.61 0.08 -0.12 0.77 0.00 0.00 0.00 179.25 180.58 3lml h SER 154 N 0.17 0.60 0.03 0.00 0.02 -1.97 -2.82 113.55 109.59 3lml h SER 154 Ca 0.05 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3lml h SER 154 Cb -0.01 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3lml h SER 154 CO -0.01 0.75 0.00 -0.62 -1.14 0.00 0.00 176.83 175.81 3lml n GLU 155 N -4.18 0.14 -2.73 3.45 1.02 -0.76 -4.63 120.64 112.95 3lml n GLU 155 Ca 0.01 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3lml n GLU 155 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3lml n GLU 155 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3lml s LEU 156 N -2.19 4.02 -0.20 -4.62 1.43 -1.07 -4.90 118.68 111.15 3lml s LEU 156 Ca 0.07 1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 3lml s LEU 156 Cb 0.04 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 3lml s LEU 156 CO 0.07 -0.74 0.12 -0.63 0.23 0.00 0.00 176.35 175.40 3lml s ILE 157 N 3.32 5.25 0.42 -0.59 1.01 -1.26 -4.89 121.20 124.46 3lml s ILE 157 Ca 0.41 0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.95 3lml s ILE 157 Cb -0.14 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 3lml s ILE 157 CO 0.12 0.43 1.04 0.47 0.00 0.00 0.00 174.94 177.00 3lml n ASP 158 N 3.69 1.42 -4.41 3.58 10.43 -1.26 -4.96 116.55 125.03 3lml n ASP 158 Ca -0.16 1.05 -0.29 0.00 2.57 0.00 0.00 54.79 57.96 3lml n ASP 158 Cb 0.52 -1.37 -0.06 0.00 1.84 0.00 0.00 41.12 42.05 3lml n ASP 158 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3lml n SER 159 N 0.49 3.27 -0.25 -2.24 3.41 -0.95 -4.99 113.62 112.36 3lml n SER 159 Ca 0.09 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 3lml n SER 159 Cb 0.39 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3lml n SER 159 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lml n ASN 160 N -1.28 0.40 0.00 4.04 5.03 -1.26 -3.39 115.26 118.80 3lml n ASN 160 Ca -0.19 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.65 3lml n ASN 160 Cb 0.58 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 3lml n ASN 160 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3lml n TYR 161 N -0.20 0.00 -4.39 3.10 4.01 -1.26 -4.82 117.16 113.59 3lml n TYR 161 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 3lml n TYR 161 Cb 0.10 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 3lml n TYR 161 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3lml s VAL 162 N -1.32 0.71 -0.22 -0.72 -7.23 -1.22 -1.68 120.40 108.71 3lml s VAL 162 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3lml s VAL 162 Cb 0.00 -2.61 0.10 0.00 0.56 0.00 0.00 36.38 34.43 3lml s VAL 162 CO 0.00 0.00 0.20 -0.44 -0.31 0.00 0.00 175.10 174.55 3lml s SER 163 N -3.43 1.84 0.07 4.85 0.01 0.27 -2.23 113.70 115.09 3lml s SER 163 Ca 0.35 -0.51 -0.25 0.00 1.31 0.00 0.00 55.95 56.85 3lml s SER 163 Cb 0.07 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.46 3lml s SER 163 CO 0.15 -0.36 0.76 -0.36 0.41 0.00 0.00 173.24 173.85 3lml s PHE 164 N 2.28 3.77 -0.48 2.43 0.08 -1.26 -2.18 117.98 122.61 3lml s PHE 164 Ca 0.07 1.50 -0.01 0.00 0.12 0.00 0.00 56.93 58.61 3lml s PHE 164 Cb -0.15 -2.81 0.13 0.00 -0.57 0.00 0.00 43.02 39.62 3lml s PHE 164 CO -0.18 0.32 0.27 0.15 -0.10 0.00 0.00 175.22 175.67 3lml s LYS 165 N -0.27 2.10 -0.07 0.44 1.02 -0.49 -4.95 119.74 117.52 3lml s LYS 165 Ca 0.38 -2.17 -0.30 0.00 0.02 0.00 0.00 55.97 53.90 3lml s LYS 165 Cb -0.21 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3lml s LYS 165 CO 0.23 -1.09 1.29 -0.08 -0.92 0.00 0.00 175.35 174.78 3lml s THR 166 N 0.51 4.09 0.00 2.17 -1.32 -1.26 -3.83 115.64 116.00 3lml s THR 166 Ca 0.13 1.41 0.00 0.00 -1.21 0.00 0.00 61.69 62.01 3lml s THR 166 Cb -0.22 -3.90 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 3lml s THR 166 CO -0.04 -0.04 0.00 1.07 -2.21 0.00 0.00 174.62 173.41 3lml n THR 167 N 4.84 0.00 0.17 5.08 5.66 -1.26 -5.05 114.28 123.72 3lml n THR 167 Ca 0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.01 3lml n THR 167 Cb 0.45 -0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 68.93 3lml n THR 167 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3lml h SER 168 N 0.00 -0.41 0.00 1.09 0.02 -1.95 -3.20 113.55 109.09 3lml h SER 168 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3lml h SER 168 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3lml h SER 168 CO 0.00 0.02 0.00 0.35 -1.14 0.00 0.00 176.83 176.06 3lml n THR 169 N -5.13 0.52 -2.27 -2.27 -2.24 -1.26 -4.87 114.28 96.76 3lml n THR 169 Ca -0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3lml n THR 169 Cb 0.27 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.76 3lml n THR 169 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3lml s SER 170 N 0.60 6.73 -0.11 3.42 0.01 -1.21 -4.52 113.70 118.62 3lml s SER 170 Ca 0.00 1.71 -0.03 0.00 1.31 0.00 0.00 55.95 58.94 3lml s SER 170 Cb 0.00 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.74 3lml s SER 170 CO 0.00 -0.95 0.06 -1.61 0.41 0.00 0.00 173.24 171.16 3lml s GLU 171 N 3.96 0.10 -0.94 12.44 0.41 -1.04 -4.88 118.70 128.75 3lml s GLU 171 Ca 0.62 0.11 -0.24 0.00 -0.41 0.00 0.00 54.97 55.05 3lml s GLU 171 Cb -0.24 -1.21 0.04 0.00 -1.78 0.00 0.00 34.13 30.94 3lml s GLU 171 CO 0.22 -0.49 1.43 -1.17 -0.49 0.00 0.00 175.26 174.76 3lml s LEU 172 N 2.11 3.40 0.19 1.80 0.20 -1.26 -2.25 118.68 122.88 3lml s LEU 172 Ca 0.03 -1.14 -0.14 0.00 0.69 0.00 0.00 54.13 53.57 3lml s LEU 172 Cb -0.14 -2.57 -0.07 0.00 -0.43 0.00 0.00 46.19 42.98 3lml s LEU 172 CO -0.06 -1.65 0.60 -1.10 -0.29 0.00 0.00 176.35 173.84 3lml s GLN 173 N 5.28 3.98 0.35 1.98 1.11 -1.26 -4.99 119.66 126.11 3lml s GLN 173 Ca 0.44 0.52 -0.28 0.00 0.01 0.00 0.00 55.36 56.05 3lml s GLN 173 Cb -0.02 -2.81 -0.11 0.00 -1.01 0.00 0.00 33.01 29.06 3lml s GLN 173 CO -0.03 0.40 1.39 1.14 0.01 0.00 0.00 175.29 178.20 3lml s GLN 174 N -2.25 4.25 -0.02 2.91 1.03 -1.26 -4.49 119.66 119.83 3lml s GLN 174 Ca 0.42 2.38 0.03 0.00 0.04 0.00 0.00 55.36 58.22 3lml s GLN 174 Cb -0.14 -3.03 -0.00 0.00 0.03 0.00 0.00 33.01 29.87 3lml s GLN 174 CO 0.20 -0.34 -0.09 0.45 -2.54 0.00 0.00 175.29 172.96 3lml s SER 175 N -0.32 1.11 0.36 12.60 0.15 0.68 -4.95 113.70 123.34 3lml s SER 175 Ca 0.51 -0.17 0.16 0.00 0.70 0.00 0.00 55.95 57.14 3lml s SER 175 Cb -0.43 -0.21 0.69 0.00 -1.71 0.00 0.00 66.02 64.37 3lml s SER 175 CO 0.57 0.09 1.77 0.77 1.20 0.00 0.00 173.24 177.64 3lml h SER 176 N 6.14 0.00 0.00 5.45 4.64 -1.92 -3.06 113.55 124.79 3lml h SER 176 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3lml h SER 176 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3lml h SER 176 CO 0.49 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 3lml n GLY 177 N -0.08 0.09 3.59 -0.77 0.00 -1.26 -4.86 105.19 101.90 3lml n GLY 177 Ca -0.01 0.49 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 3lml n GLY 177 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3lml s THR 178 N 0.00 5.28 0.08 2.61 -1.32 -0.90 -4.96 115.64 116.42 3lml s THR 178 Ca 0.00 0.16 -0.07 0.00 -1.21 0.00 0.00 61.69 60.57 3lml s THR 178 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 72.50 67.43 3lml s THR 178 CO 0.00 0.25 0.34 0.28 -2.21 0.00 0.00 174.62 173.28 3lml s THR 179 N 1.75 5.20 0.66 5.08 -1.32 -1.26 -2.26 115.64 123.48 3lml s THR 179 Ca 0.07 0.18 -0.12 0.00 -1.21 0.00 0.00 61.69 60.61 3lml s THR 179 Cb -0.16 -3.61 -0.01 0.00 -1.51 0.00 0.00 72.50 67.21 3lml s THR 179 CO 0.11 0.22 1.05 -0.76 -2.21 0.00 0.00 174.62 173.03 3lml s LEU 180 N -2.14 3.23 0.12 9.08 1.02 -0.70 -4.83 118.68 124.47 3lml s LEU 180 Ca 0.34 1.61 -0.22 0.00 0.02 0.00 0.00 54.13 55.89 3lml s LEU 180 Cb -0.13 -4.50 0.06 0.00 0.02 0.00 0.00 46.19 41.64 3lml s LEU 180 CO 0.20 -1.26 0.55 0.54 0.02 0.00 0.00 176.35 176.40 3lml s VAL 181 N -2.95 0.02 0.00 -1.59 0.11 0.39 -4.60 120.40 111.78 3lml s VAL 181 Ca 0.58 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 3lml s VAL 181 Cb -0.14 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 3lml s VAL 181 CO 0.51 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 3lml n GLY 182 N -0.12 0.79 3.74 6.54 0.00 -1.26 -1.08 105.19 113.79 3lml n GLY 182 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3lml n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lml s GLY 183 N -1.07 2.61 0.04 -0.02 0.00 -1.26 -4.53 107.32 103.09 3lml s GLY 183 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 44.72 45.54 3lml s GLY 183 CO 0.00 1.95 0.53 -0.51 0.00 0.00 0.00 173.10 175.06 3lml s THR 184 N -0.10 0.03 -0.12 0.90 -4.23 -1.13 -4.32 115.64 106.68 3lml s THR 184 Ca 0.54 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 3lml s THR 184 Cb -0.35 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.54 3lml s THR 184 CO 0.39 -0.13 -0.16 1.51 -0.54 0.00 0.00 174.62 175.69 3lml s ASP 185 N -1.88 2.54 0.17 3.99 -4.77 -1.26 -0.27 116.67 115.18 3lml s ASP 185 Ca -0.06 -0.45 -0.30 0.00 -3.30 0.00 0.00 52.55 48.44 3lml s ASP 185 Cb -0.01 -1.14 -0.07 0.00 -1.09 0.00 0.00 42.92 40.61 3lml s ASP 185 CO -0.00 0.01 1.13 0.00 0.70 0.00 0.00 175.17 177.00 3lml s GLN 186 N 1.02 4.56 0.84 2.11 -2.07 -0.62 -4.97 119.66 120.54 3lml s GLN 186 Ca -0.05 1.75 -0.15 0.00 -1.82 0.00 0.00 55.36 55.09 3lml s GLN 186 Cb -0.15 -3.28 -0.01 0.00 -1.09 0.00 0.00 33.01 28.48 3lml s GLN 186 CO -0.03 0.02 0.37 -0.35 -1.32 0.00 0.00 175.29 173.98 3lml n PRO 187 N 2.51 0.01 -2.30 9.60 -0.04 -1.26 -4.34 135.00 139.18 3lml n PRO 187 Ca 0.03 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 3lml n PRO 187 Cb 0.46 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3lml n PRO 187 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3lml s VAL 188 N -2.14 3.88 0.06 0.52 1.01 -1.26 -4.93 120.40 117.54 3lml s VAL 188 Ca 0.60 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.84 3lml s VAL 188 Cb -0.28 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3lml s VAL 188 CO 0.64 0.01 0.17 0.28 0.00 0.00 0.00 175.10 176.20 3lml s THR 189 N 2.20 5.15 0.66 3.92 -1.32 -1.26 -4.97 115.64 120.02 3lml s THR 189 Ca 0.61 -0.48 0.37 0.00 -1.21 0.00 0.00 61.69 60.98 3lml s THR 189 Cb -0.29 -3.50 0.38 0.00 -1.51 0.00 0.00 72.50 67.57 3lml s THR 189 CO 0.25 0.15 2.16 0.78 -2.21 0.00 0.00 174.62 175.75 3lml h ASN 190 N 3.19 0.00 -0.45 8.08 -0.26 -2.02 0.18 115.58 124.30 3lml h ASN 190 Ca -0.46 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.21 3lml h ASN 190 Cb 1.16 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.40 3lml h ASN 190 CO 0.73 0.00 0.01 -0.07 -1.06 0.00 0.00 177.43 177.04 3lml h LEU 191 N 0.00 0.82 -0.99 1.61 3.38 -2.01 -2.95 115.31 115.17 3lml h LEU 191 Ca 0.01 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3lml h LEU 191 Cb 0.33 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3lml h LEU 191 CO -0.00 0.88 0.64 0.44 0.09 0.00 0.00 178.44 180.49 3lml h ASP 192 N 0.80 1.07 0.25 -0.43 3.45 -0.94 -0.35 116.42 120.26 3lml h ASP 192 Ca 0.15 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.57 3lml h ASP 192 Cb 0.46 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3lml h ASP 192 CO 0.02 0.72 -0.17 1.88 -1.57 0.00 0.00 179.24 180.13 3lml h TYR 193 N 1.24 0.00 -0.10 4.55 -1.99 -1.56 -1.02 116.97 118.09 3lml h TYR 193 Ca 0.40 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.07 3lml h TYR 193 Cb 0.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 3lml h TYR 193 CO -0.00 0.17 -0.17 1.15 -0.00 0.00 0.00 178.16 179.31 3lml h THR 194 N 0.00 1.39 0.00 -2.88 2.02 -1.09 -2.89 112.91 109.46 3lml h THR 194 Ca -0.00 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 3lml h THR 194 Cb 0.34 2.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 3lml h THR 194 CO 0.02 0.41 -0.00 1.56 0.37 0.00 0.00 175.52 177.88 3lml h GLN 195 N -0.15 0.00 -0.27 6.66 1.08 -0.83 -1.50 115.11 120.10 3lml h GLN 195 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3lml h GLN 195 Cb 0.74 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 3lml h GLN 195 CO 0.04 0.00 0.09 0.35 -0.95 0.00 0.00 178.83 178.37 3lml h PHE 196 N 0.00 0.43 0.00 2.96 -0.00 -1.07 -1.16 116.94 118.10 3lml h PHE 196 Ca -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.97 57.90 3lml h PHE 196 Cb 0.01 -0.12 -0.00 0.00 -0.00 0.00 0.00 35.95 35.83 3lml h PHE 196 CO 0.00 0.45 -0.13 -0.07 -0.00 0.00 0.00 178.31 178.56 3lml h LEU 197 N 0.28 0.00 0.01 0.59 3.38 -1.08 0.14 115.31 118.63 3lml h LEU 197 Ca 0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 3lml h LEU 197 Cb 0.22 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 3lml h LEU 197 CO -0.00 0.13 -0.83 0.58 0.09 0.00 0.00 178.44 178.40 3lml h VAL 198 N 0.00 1.36 0.00 1.22 2.07 -0.98 -3.09 116.25 116.83 3lml h VAL 198 Ca -0.00 -2.19 -0.05 0.00 0.82 0.00 0.00 66.70 65.28 3lml h VAL 198 Cb 0.33 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3lml h VAL 198 CO 0.02 0.66 -0.26 0.28 0.02 0.00 0.00 177.57 178.28 3lml h SER 199 N 0.12 0.00 0.30 0.57 0.02 -0.85 -2.86 113.55 110.86 3lml h SER 199 Ca -0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3lml h SER 199 Cb 1.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 3lml h SER 199 CO 0.16 0.26 -0.01 0.00 -1.14 0.00 0.00 176.83 176.10 3lml h ALA 200 N 1.74 1.04 -0.04 3.77 0.00 -0.65 -2.14 119.26 122.98 3lml h ALA 200 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3lml h ALA 200 Cb 0.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3lml h ALA 200 CO 0.03 0.01 -0.30 0.93 0.00 0.00 0.00 179.25 179.92 3lml h GLU 201 N 0.00 0.07 -0.95 0.00 5.08 -1.54 -2.99 114.58 114.25 3lml h GLU 201 Ca -0.00 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 57.94 3lml h GLU 201 Cb 0.16 -0.01 -0.23 0.00 0.50 0.00 0.00 28.75 29.17 3lml h GLU 201 CO 0.00 0.37 0.50 0.41 -1.00 0.00 0.00 179.01 179.29 3lml n GLY 202 N -0.60 4.01 3.16 -3.84 0.00 -0.81 -4.92 105.19 102.20 3lml n GLY 202 Ca -0.02 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 3lml n GLY 202 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 203 N -2.87 0.92 -0.43 1.61 0.41 -1.13 -5.11 118.70 112.09 3lml s GLU 203 Ca 0.50 -0.83 -0.14 0.00 -0.41 0.00 0.00 54.97 54.09 3lml s GLU 203 Cb 0.42 -0.94 0.05 0.00 -1.78 0.00 0.00 34.13 31.87 3lml s GLU 203 CO 0.10 0.23 0.32 0.71 -0.49 0.00 0.00 175.26 176.14 3lml s TYR 204 N -0.97 3.25 0.10 1.61 4.12 -1.26 -5.04 117.35 119.17 3lml s TYR 204 Ca 0.01 -0.86 -0.04 0.00 0.02 0.00 0.00 57.07 56.20 3lml s TYR 204 Cb -0.09 -2.84 -0.03 0.00 -1.52 0.00 0.00 41.96 37.49 3lml s TYR 204 CO 0.02 -0.71 0.10 -0.59 0.02 0.00 0.00 175.55 174.39 3lml s PHE 205 N 1.63 0.53 -0.17 2.71 -0.12 -1.26 -5.00 117.98 116.29 3lml s PHE 205 Ca 0.04 -0.97 -0.13 0.00 -0.05 0.00 0.00 56.93 55.83 3lml s PHE 205 Cb -0.22 -0.29 -0.22 0.00 -0.63 0.00 0.00 43.02 41.67 3lml s PHE 205 CO 0.07 -0.52 0.22 -0.25 -0.05 0.00 0.00 175.22 174.69 3lml n ASP 206 N -0.05 2.00 -4.16 1.98 9.92 0.36 -4.93 116.55 121.67 3lml n ASP 206 Ca -0.10 0.28 -0.19 0.00 -0.53 0.00 0.00 54.79 54.25 3lml n ASP 206 Cb 0.62 -0.88 -0.12 0.00 -0.64 0.00 0.00 41.12 40.11 3lml n ASP 206 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3lml s THR 207 N -2.48 1.11 -0.07 -3.53 2.01 -1.22 -2.36 115.64 109.10 3lml s THR 207 Ca -0.27 -1.21 0.04 0.00 0.31 0.00 0.00 61.69 60.56 3lml s THR 207 Cb 0.07 -1.05 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3lml s THR 207 CO 0.67 -0.15 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.74 3lml s ILE 208 N -1.14 1.71 -0.10 1.82 2.07 0.32 -1.59 121.20 124.30 3lml s ILE 208 Ca -0.01 -0.84 -0.05 0.00 -1.41 0.00 0.00 60.65 58.34 3lml s ILE 208 Cb -0.09 -1.48 -0.04 0.00 0.13 0.00 0.00 42.46 40.98 3lml s ILE 208 CO 0.02 0.48 0.12 0.00 -1.91 0.00 0.00 174.94 173.65 3lml s ALA 209 N 0.25 3.79 -0.56 1.50 0.00 -0.77 -1.68 121.76 124.29 3lml s ALA 209 Ca -0.12 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3lml s ALA 209 Cb -0.15 -1.87 0.20 0.00 0.00 0.00 0.00 23.12 21.30 3lml s ALA 209 CO 0.05 0.63 0.51 0.34 0.00 0.00 0.00 175.76 177.30 3lml n PHE 210 N 1.85 1.64 0.04 0.00 -0.00 -0.46 -4.45 117.46 116.08 3lml n PHE 210 Ca -0.18 -3.89 0.00 0.00 -0.00 0.00 0.00 57.45 53.37 3lml n PHE 210 Cb 0.54 -0.33 0.00 0.00 -0.00 0.00 0.00 39.48 39.70 3lml n PHE 210 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3lml n PRO 211 N 1.88 0.61 -2.42 -7.13 -0.04 -1.26 -4.53 135.00 122.11 3lml n PRO 211 Ca 0.25 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.33 3lml n PRO 211 Cb 0.43 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 3lml n PRO 211 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3lml s VAL 212 N 0.63 3.42 0.41 0.52 0.11 -1.26 -4.79 120.40 119.44 3lml s VAL 212 Ca 0.00 1.23 -0.26 0.00 -2.93 0.00 0.00 61.98 60.01 3lml s VAL 212 Cb 0.00 -3.70 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 3lml s VAL 212 CO 0.00 0.14 1.34 -0.24 -3.33 0.00 0.00 175.10 173.01 3lml n SER 213 N 0.35 2.93 0.00 3.54 2.88 -1.26 -4.82 113.62 117.25 3lml n SER 213 Ca 0.03 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3lml n SER 213 Cb 0.47 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3lml n SER 213 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3lml n SER 214 N 0.24 0.00 0.00 -3.46 7.64 -1.26 -3.72 113.62 113.06 3lml n SER 214 Ca 0.05 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.41 3lml n SER 214 Cb 0.39 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3lml n SER 214 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3lml n SER 215 N -1.47 0.00 -4.60 6.43 7.64 -1.26 -4.56 113.62 115.79 3lml n SER 215 Ca 0.00 0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.73 3lml n SER 215 Cb 0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 3lml n SER 215 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3lml s ASP 216 N -2.09 5.37 0.11 6.43 -1.08 -1.24 -4.85 116.67 119.31 3lml s ASP 216 Ca 0.00 1.81 -0.01 0.00 -0.52 0.00 0.00 52.55 53.83 3lml s ASP 216 Cb 0.00 -2.51 -0.19 0.00 -1.46 0.00 0.00 42.92 38.77 3lml s ASP 216 CO 0.00 -2.04 1.24 0.58 0.52 0.00 0.00 175.17 175.47 3lml h VAL 217 N 7.20 1.52 -0.09 1.11 2.07 -1.89 -3.31 116.25 122.86 3lml h VAL 217 Ca -0.40 -2.93 0.04 0.00 0.82 0.00 0.00 66.70 64.23 3lml h VAL 217 Cb 1.24 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.71 3lml h VAL 217 CO 0.98 0.85 -0.25 0.00 0.02 0.00 0.00 177.57 179.17 3lml h ALA 218 N 0.75 -0.26 -0.08 1.67 0.00 -1.99 -1.57 119.26 117.77 3lml h ALA 218 Ca -0.09 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3lml h ALA 218 Cb 1.78 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.98 3lml h ALA 218 CO 0.17 -0.72 -0.49 -0.07 0.00 0.00 0.00 179.25 178.14 3lml h LEU 219 N -0.33 -1.53 -0.95 0.00 3.38 -1.98 0.81 115.31 114.70 3lml h LEU 219 Ca 0.09 0.19 0.24 0.00 0.09 0.00 0.00 57.88 58.48 3lml h LEU 219 Cb 0.46 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 3lml h LEU 219 CO -0.28 -0.48 0.49 0.11 0.09 0.00 0.00 178.44 178.37 3lml h LYS 220 N -0.58 0.46 -0.07 1.13 1.57 -1.59 0.19 116.57 117.68 3lml h LYS 220 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3lml h LYS 220 Cb 0.68 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3lml h LYS 220 CO -0.39 0.30 0.00 1.15 -0.57 0.00 0.00 179.45 179.94 3lml h THR 221 N 0.47 1.25 0.00 -0.16 2.02 -0.02 -1.44 112.91 115.02 3lml h THR 221 Ca 0.61 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3lml h THR 221 Cb 1.17 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 3lml h THR 221 CO -0.51 0.22 -0.03 0.77 0.37 0.00 0.00 175.52 176.34 3lml h SER 222 N -0.15 0.00 0.03 4.18 4.64 0.80 -1.30 113.55 121.74 3lml h SER 222 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3lml h SER 222 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3lml h SER 222 CO 0.00 0.03 -0.01 0.15 -0.87 0.00 0.00 176.83 176.13 3lml h PHE 223 N 0.00 -0.04 -0.76 4.77 3.57 -0.19 -2.11 116.94 122.18 3lml h PHE 223 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3lml h PHE 223 Cb 0.09 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3lml h PHE 223 CO 0.00 0.61 0.50 0.28 -2.23 0.00 0.00 178.31 177.47 3lml h VAL 224 N -0.74 0.93 -0.18 1.41 2.07 -0.59 -1.11 116.25 118.04 3lml h VAL 224 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3lml h VAL 224 Cb 0.66 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3lml h VAL 224 CO 0.01 0.12 0.01 0.28 0.02 0.00 0.00 177.57 178.00 3lml h SER 225 N 0.66 0.30 -0.65 0.57 0.02 -1.25 -1.08 113.55 112.11 3lml h SER 225 Ca 0.35 -0.30 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 3lml h SER 225 Cb 0.49 -0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.87 3lml h SER 225 CO -0.13 0.52 0.20 0.15 -1.14 0.00 0.00 176.83 176.43 3lml h PHE 226 N 0.07 0.33 -0.46 3.45 3.04 -0.52 -0.56 116.94 122.28 3lml h PHE 226 Ca 0.05 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 3lml h PHE 226 Cb 0.36 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 3lml h PHE 226 CO 0.03 0.02 -0.03 0.28 -2.02 0.00 0.00 178.31 176.59 3lml h VAL 227 N 0.34 1.27 -0.74 1.41 2.07 -1.08 -3.01 116.25 116.52 3lml h VAL 227 Ca 0.35 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.84 3lml h VAL 227 Cb 0.51 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 3lml h VAL 227 CO -0.39 0.38 0.41 0.11 0.02 0.00 0.00 177.57 178.10 3lml h LYS 228 N 0.68 0.70 -0.63 1.57 1.57 -0.13 -1.65 116.57 118.68 3lml h LYS 228 Ca 0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3lml h LYS 228 Cb 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3lml h LYS 228 CO 0.03 0.46 0.00 0.54 -0.57 0.00 0.00 179.45 179.91 3lml n ARG 229 N -4.78 0.15 0.00 3.15 1.74 -0.32 -0.87 116.66 115.73 3lml n ARG 229 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3lml n ARG 229 Cb 0.22 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3lml n ARG 229 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3lml n ARG 231 N 0.57 0.00 0.00 5.56 1.74 -0.62 0.68 116.66 124.59 3lml n ARG 231 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3lml n ARG 231 Cb 0.05 0.00 0.82 0.00 -1.02 0.00 0.00 32.46 32.31 3lml n ARG 231 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3lml n ASP 232 N 0.00 0.00 0.00 0.55 8.00 -0.04 -2.21 116.55 122.84 3lml n ASP 232 Ca 0.00 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3lml n ASP 232 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3lml n ASP 232 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3lml n GLU 233 N -0.94 0.00 0.01 -1.24 2.13 0.21 -4.78 120.64 116.04 3lml n GLU 233 Ca 0.21 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.14 3lml n GLU 233 Cb 0.10 -0.73 0.03 0.00 0.27 0.00 0.00 31.44 31.10 3lml n GLU 233 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3lml n GLN 234 N -2.51 0.14 -0.77 5.31 -0.06 -0.56 -4.97 117.38 113.96 3lml n GLN 234 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3lml n GLN 234 Cb 0.40 -1.54 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 3lml n GLN 234 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3lml n GLY 235 N 1.44 0.84 3.44 1.69 0.00 -0.94 -4.98 105.19 106.68 3lml n GLY 235 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 3lml n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lml s VAL 236 N -3.30 4.67 -1.14 1.61 1.01 -1.25 -4.84 120.40 117.17 3lml s VAL 236 Ca 0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3lml s VAL 236 Cb 0.00 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.94 3lml s VAL 236 CO 0.00 -1.07 1.69 -0.54 0.00 0.00 0.00 175.10 175.18 3lml s LYS 237 N 3.15 3.45 0.41 2.72 -0.14 -1.26 -2.86 119.74 125.21 3lml s LYS 237 Ca 0.18 -1.36 0.08 0.00 -1.36 0.00 0.00 55.97 53.51 3lml s LYS 237 Cb -0.19 -5.37 -0.02 0.00 -1.68 0.00 0.00 37.83 30.56 3lml s LYS 237 CO 0.11 -2.63 0.36 0.96 -0.76 0.00 0.00 175.35 173.39 3lml s ILE 238 N 6.21 2.75 0.01 2.17 -4.36 -1.26 -4.89 121.20 121.84 3lml s ILE 238 Ca 0.55 -1.36 0.05 0.00 -0.26 0.00 0.00 60.65 59.63 3lml s ILE 238 Cb 0.01 -3.02 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 3lml s ILE 238 CO 0.01 -0.02 -0.14 -0.54 0.24 0.00 0.00 174.94 174.49 3lml s LYS 239 N -4.10 2.29 0.10 0.37 -0.14 -1.00 -4.88 119.74 112.38 3lml s LYS 239 Ca 0.47 -0.85 0.09 0.00 -1.36 0.00 0.00 55.97 54.32 3lml s LYS 239 Cb -0.03 -2.31 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 3lml s LYS 239 CO 0.27 0.58 -0.21 0.20 -0.76 0.00 0.00 175.35 175.43 3lml s GLY 240 N -1.25 1.63 -0.15 -3.33 0.00 -0.23 -0.52 107.32 103.46 3lml s GLY 240 Ca 0.14 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 3lml s GLY 240 CO 0.05 -1.30 -0.03 0.14 0.00 0.00 0.00 173.10 171.95 3lml s VAL 241 N -1.06 0.86 0.14 1.40 1.01 -0.68 -0.26 120.40 121.81 3lml s VAL 241 Ca 0.16 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3lml s VAL 241 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3lml s VAL 241 CO 0.08 0.10 -0.10 0.68 0.00 0.00 0.00 175.10 175.85 3lml s VAL 242 N 1.74 1.15 -0.10 2.92 -7.23 -1.03 -1.35 120.40 116.50 3lml s VAL 242 Ca 0.01 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 3lml s VAL 242 Cb -0.15 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 3lml s VAL 242 CO -0.07 -0.70 0.30 0.00 -0.31 0.00 0.00 175.10 174.32 3lml s ALA 243 N -3.11 3.70 0.00 1.32 0.00 -1.26 -1.56 121.76 120.84 3lml s ALA 243 Ca 0.14 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 3lml s ALA 243 Cb 0.01 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3lml s ALA 243 CO 0.01 0.35 0.00 0.09 0.00 0.00 0.00 175.76 176.21 3lml n ASN 244 N 2.60 -2.36 -3.15 0.00 3.02 -0.01 -4.90 115.26 110.46 3lml n ASN 244 Ca -0.14 1.18 -0.19 0.00 -0.03 0.00 0.00 54.58 55.40 3lml n ASN 244 Cb 0.53 -2.31 -0.06 0.00 -0.61 0.00 0.00 39.78 37.33 3lml n ASN 244 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3lml n PRO 246 N 2.00 0.38 0.00 3.52 -0.04 -1.26 -5.07 135.00 134.53 3lml n PRO 246 Ca -0.01 -2.77 0.09 0.00 -0.04 0.00 0.00 63.50 60.77 3lml n PRO 246 Cb 0.01 -1.55 0.46 0.00 -0.04 0.00 0.00 33.50 32.39 3lml n PRO 246 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3lml n ALA 247 N 2.62 1.99 -4.27 0.55 0.00 -1.26 -4.88 120.51 115.27 3lml n ALA 247 Ca 0.24 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 3lml n ALA 247 Cb 0.52 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.60 3lml n ALA 247 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3lml n ASP 248 N -1.26 -0.02 -3.86 0.00 -0.08 -1.13 -4.91 116.55 105.29 3lml n ASP 248 Ca 0.09 -1.20 -0.15 0.00 -1.51 0.00 0.00 54.79 52.02 3lml n ASP 248 Cb 0.14 -1.98 -0.15 0.00 2.34 0.00 0.00 41.12 41.46 3lml n ASP 248 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3lml s TYR 249 N -4.05 0.25 -2.00 -0.67 5.04 -1.25 -4.56 117.35 110.11 3lml s TYR 249 Ca 0.18 -0.01 0.15 0.00 -2.44 0.00 0.00 57.07 54.95 3lml s TYR 249 Cb -0.10 -0.27 0.90 0.00 0.35 0.00 0.00 41.96 42.84 3lml s TYR 249 CO 0.98 -0.07 1.31 -0.85 -1.34 0.00 0.00 175.55 175.58 3lml n GLU 250 N 3.63 0.47 0.00 4.97 0.00 -1.26 -2.21 120.64 126.24 3lml n GLU 250 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.07 3lml n GLU 250 Cb 0.54 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.58 3lml n GLU 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lml n GLY 251 N -0.05 0.84 3.22 -1.84 0.00 -1.26 -4.90 105.19 101.20 3lml n GLY 251 Ca 0.11 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 3lml n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lml s ILE 252 N -1.94 1.64 -0.20 -0.61 1.09 -0.94 -1.07 121.20 119.18 3lml s ILE 252 Ca 0.26 -0.89 -0.08 0.00 -1.10 0.00 0.00 60.65 58.84 3lml s ILE 252 Cb 0.19 -1.37 -0.04 0.00 -1.06 0.00 0.00 42.46 40.18 3lml s ILE 252 CO 0.30 0.47 0.08 -0.63 -0.10 0.00 0.00 174.94 175.06 3lml s ILE 253 N -0.49 4.91 -0.69 2.92 -1.09 0.64 -0.78 121.20 126.62 3lml s ILE 253 Ca 0.08 0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.37 3lml s ILE 253 Cb -0.08 -3.23 0.18 0.00 -1.58 0.00 0.00 42.46 37.74 3lml s ILE 253 CO -0.01 0.43 0.64 0.21 -1.23 0.00 0.00 174.94 174.98 3lml s ASN 254 N 0.56 6.46 0.13 3.58 3.04 -1.26 -2.47 114.94 124.99 3lml s ASN 254 Ca 0.04 -2.30 -0.31 0.00 0.04 0.00 0.00 52.86 50.33 3lml s ASN 254 Cb -0.13 -2.19 -0.08 0.00 -1.54 0.00 0.00 41.25 37.30 3lml s ASN 254 CO 0.01 -0.69 1.42 -0.69 -3.04 0.00 0.00 177.10 174.11 3lml s VAL 255 N 0.78 3.14 -0.11 -5.21 1.01 -0.60 -0.06 120.40 119.35 3lml s VAL 255 Ca 0.11 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 62.83 3lml s VAL 255 Cb -0.19 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3lml s VAL 255 CO -0.04 0.07 -0.18 -1.14 0.00 0.00 0.00 175.10 173.82 3lml n ARG 256 N 3.83 0.35 -3.92 2.72 3.00 -0.50 -0.83 116.66 121.30 3lml n ARG 256 Ca 0.11 0.33 -0.26 0.00 -0.00 0.00 0.00 57.85 58.04 3lml n ARG 256 Cb 0.41 -1.33 -0.02 0.00 0.00 0.00 0.00 32.46 31.53 3lml n ARG 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3lml s ASN 257 N -5.21 4.62 0.00 6.15 4.22 -1.26 -4.73 114.94 118.73 3lml s ASN 257 Ca -0.15 -1.20 0.00 0.00 -2.14 0.00 0.00 52.86 49.37 3lml s ASN 257 Cb 0.02 0.24 0.00 0.00 1.28 0.00 0.00 41.25 42.79 3lml s ASN 257 CO 0.22 -0.99 0.00 0.61 -2.04 0.00 0.00 177.10 174.89 3lml n GLY 258 N -1.67 5.13 3.34 0.45 0.00 -0.75 -4.34 105.19 107.36 3lml n GLY 258 Ca -0.02 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 3lml n GLY 258 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lml s VAL 259 N 0.61 0.00 -0.10 1.61 -7.23 -0.69 -1.71 120.40 112.89 3lml s VAL 259 Ca 0.00 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3lml s VAL 259 Cb 0.00 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.45 3lml s VAL 259 CO 0.00 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.79 3lml s THR 260 N -3.62 1.17 0.71 5.32 2.01 0.16 -0.56 115.64 120.83 3lml s THR 260 Ca 0.36 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 3lml s THR 260 Cb 0.03 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.45 3lml s THR 260 CO 0.19 0.38 1.10 -0.76 -0.69 0.00 0.00 174.62 174.84 3lml s LEU 261 N 1.17 2.86 0.24 4.42 1.43 -0.15 -0.22 118.68 128.43 3lml s LEU 261 Ca -0.05 1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 3lml s LEU 261 Cb -0.14 -3.80 0.42 0.00 0.03 0.00 0.00 46.19 42.70 3lml s LEU 261 CO -0.03 -1.41 1.78 -0.09 0.23 0.00 0.00 176.35 176.84 3lml h ARG 262 N -0.68 0.64 0.00 1.70 2.43 -1.48 0.15 114.38 117.14 3lml h ARG 262 Ca -0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3lml h ARG 262 Cb 1.26 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3lml h ARG 262 CO 0.64 0.42 0.00 -0.40 -1.51 0.00 0.00 179.97 179.12 3lml n ASP 263 N -4.84 0.00 0.00 -3.80 5.68 -1.26 -4.80 116.55 107.54 3lml n ASP 263 Ca 0.14 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 3lml n ASP 263 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3lml n ASP 263 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3lml n GLY 264 N -0.12 1.22 3.76 6.12 0.00 0.53 -5.03 105.19 111.67 3lml n GLY 264 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3lml n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lml s THR 265 N -2.53 2.19 -0.22 2.61 2.01 -1.25 -4.73 115.64 113.73 3lml s THR 265 Ca 0.00 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 3lml s THR 265 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3lml s THR 265 CO 0.00 0.03 0.12 -0.63 -0.69 0.00 0.00 174.62 173.45 3lml s ILE 266 N -0.30 5.13 -0.27 1.82 1.01 -1.26 -0.98 121.20 126.34 3lml s ILE 266 Ca 0.60 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 61.29 3lml s ILE 266 Cb -0.46 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 38.66 3lml s ILE 266 CO 0.51 0.39 0.02 -0.76 0.00 0.00 0.00 174.94 175.10 3lml s LEU 267 N 0.78 3.53 0.63 2.97 1.43 0.27 -5.02 118.68 123.27 3lml s LEU 267 Ca 0.06 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.27 3lml s LEU 267 Cb -0.13 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3lml s LEU 267 CO 0.02 -0.15 1.11 -1.61 0.23 0.00 0.00 176.35 175.95 3lml s GLU 268 N 1.43 2.95 0.31 1.70 2.02 -1.26 -1.71 118.70 124.15 3lml s GLU 268 Ca 0.02 1.42 0.08 0.00 0.02 0.00 0.00 54.97 56.50 3lml s GLU 268 Cb -0.17 -1.97 0.83 0.00 0.10 0.00 0.00 34.13 32.93 3lml s GLU 268 CO -0.01 -1.13 1.73 -1.00 0.02 0.00 0.00 175.26 174.88 3lml h PRO 269 N 0.29 0.58 0.00 0.39 0.13 -1.86 0.74 132.00 132.27 3lml h PRO 269 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3lml h PRO 269 Cb 1.25 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3lml h PRO 269 CO 0.55 0.38 0.00 -2.39 -0.23 0.00 0.00 178.00 176.31 3lml n HIS 270 N -4.88 0.17 -0.12 1.56 1.44 -1.26 -1.35 115.22 110.78 3lml n HIS 270 Ca 0.25 0.09 -0.17 0.00 -2.01 0.00 0.00 57.72 55.88 3lml n HIS 270 Cb 0.70 -0.64 -0.12 0.00 0.12 0.00 0.00 29.99 30.05 3lml n HIS 270 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3lml n GLN 271 N -1.67 0.66 0.19 -1.40 6.02 0.25 -4.21 117.38 117.21 3lml n GLN 271 Ca 0.01 0.14 0.17 0.00 -0.01 0.00 0.00 57.00 57.31 3lml n GLN 271 Cb 0.05 -1.53 0.81 0.00 1.02 0.00 0.00 30.24 30.59 3lml n GLN 271 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3lml h VAL 272 N 0.00 0.50 -0.95 5.09 2.07 0.05 -1.06 116.25 121.94 3lml h VAL 272 Ca -0.57 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.14 3lml h VAL 272 Cb 1.94 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.45 3lml h VAL 272 CO -0.07 0.00 0.61 -0.37 0.02 0.00 0.00 177.57 177.76 3lml h VAL 273 N 0.00 0.73 -0.36 2.57 -1.51 -1.60 -0.03 116.25 116.04 3lml h VAL 273 Ca 0.10 -0.22 0.08 0.00 -1.23 0.00 0.00 66.70 65.43 3lml h VAL 273 Cb 0.54 0.04 -0.07 0.00 -2.13 0.00 0.00 31.29 29.66 3lml h VAL 273 CO -0.00 0.12 -0.13 0.00 -1.23 0.00 0.00 177.57 176.32 3lml h ALA 274 N 1.62 0.17 0.69 5.19 0.00 -1.46 0.49 119.26 125.96 3lml h ALA 274 Ca 0.51 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.53 3lml h ALA 274 Cb 0.96 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3lml h ALA 274 CO -0.27 -0.50 -0.33 2.35 0.00 0.00 0.00 179.25 180.50 3lml h TRP 275 N -0.06 -0.86 -1.09 0.00 7.01 -1.18 -2.85 115.95 116.91 3lml h TRP 275 Ca 0.18 -0.02 0.30 0.00 2.11 0.00 0.00 58.89 61.46 3lml h TRP 275 Cb 0.33 0.28 -0.10 0.00 -2.10 0.00 0.00 29.16 27.58 3lml h TRP 275 CO -0.37 -0.51 0.71 0.28 -2.79 0.00 0.00 178.44 175.77 3lml h VAL 276 N -1.08 0.45 0.37 2.65 2.07 -0.95 0.55 116.25 120.32 3lml h VAL 276 Ca -0.09 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3lml h VAL 276 Cb 0.74 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3lml h VAL 276 CO 0.16 0.06 -0.18 0.00 0.02 0.00 0.00 177.57 177.63 3lml h ALA 277 N 1.61 -0.50 -0.05 1.67 0.00 0.11 -0.13 119.26 121.97 3lml h ALA 277 Ca 0.63 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 3lml h ALA 277 Cb 1.72 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3lml h ALA 277 CO -0.30 -0.77 -0.15 0.78 0.00 0.00 0.00 179.25 178.82 3lml h GLY 278 N -0.53 0.08 0.92 0.00 0.00 0.02 0.20 103.07 103.76 3lml h GLY 278 Ca -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3lml h GLY 278 CO 0.08 0.04 0.09 0.00 0.00 0.00 0.00 176.54 176.75 3lml h ALA 279 N 1.79 0.47 -0.14 3.60 0.00 0.64 -1.73 119.26 123.89 3lml h ALA 279 Ca 0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 3lml h ALA 279 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3lml h ALA 279 CO 0.02 0.14 -0.66 0.22 0.00 0.00 0.00 179.25 178.97 3lml h ASP 280 N 0.43 0.62 0.66 0.00 1.82 -0.56 -2.72 116.42 116.67 3lml h ASP 280 Ca 0.11 -0.37 -0.07 0.00 -0.39 0.00 0.00 57.03 56.30 3lml h ASP 280 Cb 0.30 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 3lml h ASP 280 CO 0.00 1.11 -0.35 0.00 -1.61 0.00 0.00 179.24 178.39 3lml h ALA 281 N 0.88 1.11 0.00 -0.78 0.00 -0.89 -3.14 119.26 116.45 3lml h ALA 281 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3lml h ALA 281 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3lml h ALA 281 CO 0.12 0.44 -1.30 -1.13 0.00 0.00 0.00 179.25 177.38 3lml n SER 282 N -3.68 0.58 -4.63 0.00 3.41 -0.66 -1.94 113.62 106.70 3lml n SER 282 Ca -0.01 0.19 -0.45 0.00 -0.26 0.00 0.00 58.87 58.34 3lml n SER 282 Cb 0.45 0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 3lml n SER 282 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lml n ALA 283 N -2.17 0.37 -1.03 7.33 0.00 -1.03 -4.53 120.51 119.44 3lml n ALA 283 Ca -0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3lml n ALA 283 Cb 0.55 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3lml n ALA 283 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3lml n SER 284 N 1.46 0.00 0.00 0.00 2.88 -1.26 -4.95 113.62 111.75 3lml n SER 284 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 3lml n SER 284 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 3lml n SER 284 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3lml n LEU 286 N 0.00 0.00 -4.61 2.46 4.77 -1.26 -4.60 117.00 113.76 3lml n LEU 286 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3lml n LEU 286 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3lml n LEU 286 CO 0.00 0.00 -0.34 -0.54 -1.33 0.00 0.00 177.39 175.18 3lml s LYS 287 N 0.00 3.13 0.52 3.23 3.01 -1.26 -5.12 119.74 123.24 3lml s LYS 287 Ca 0.00 -0.47 -0.05 0.00 -1.01 0.00 0.00 55.97 54.44 3lml s LYS 287 Cb 0.00 -2.78 0.11 0.00 -1.01 0.00 0.00 37.83 34.15 3lml s LYS 287 CO 0.00 0.56 0.71 0.45 0.51 0.00 0.00 175.35 177.58 3lml n SER 288 N 2.56 0.44 -0.69 2.83 2.88 -1.26 -4.92 113.62 115.46 3lml n SER 288 Ca -0.18 -1.49 0.07 0.00 -1.33 0.00 0.00 58.87 55.93 3lml n SER 288 Cb 0.53 -0.50 0.19 0.00 -0.75 0.00 0.00 64.21 63.67 3lml n SER 288 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3lml n ASN 289 N -3.23 3.24 -4.71 -3.46 5.03 -1.26 -4.92 115.26 105.95 3lml n ASN 289 Ca 0.10 -2.43 -0.42 0.00 0.87 0.00 0.00 54.58 52.70 3lml n ASN 289 Cb 0.35 -0.35 -0.03 0.00 -1.02 0.00 0.00 39.78 38.74 3lml n ASN 289 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3lml s THR 290 N -1.77 4.21 -0.71 3.41 2.01 -1.26 -2.50 115.64 119.03 3lml s THR 290 Ca 0.30 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.88 3lml s THR 290 Cb 0.21 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3lml s THR 290 CO 0.12 0.10 0.00 0.49 -0.69 0.00 0.00 174.62 174.64 3lml n PHE 291 N 4.16 -0.03 -3.16 4.92 3.72 0.46 -4.91 117.46 122.61 3lml n PHE 291 Ca 0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 3lml n PHE 291 Cb 0.47 -1.52 -0.05 0.00 -0.94 0.00 0.00 39.48 37.44 3lml n PHE 291 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3lml s VAL 292 N -2.26 5.08 0.29 -4.37 1.01 -1.04 -4.78 120.40 114.33 3lml s VAL 292 Ca 0.00 1.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 3lml s VAL 292 Cb 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3lml s VAL 292 CO 0.00 0.30 0.90 -0.54 0.00 0.00 0.00 175.10 175.76 3lml s LYS 293 N 0.62 4.57 -0.93 2.72 1.02 -1.26 -1.36 119.74 125.13 3lml s LYS 293 Ca 0.33 1.27 -0.17 0.00 0.02 0.00 0.00 55.97 57.42 3lml s LYS 293 Cb -0.17 -2.90 0.16 0.00 -0.52 0.00 0.00 37.83 34.40 3lml s LYS 293 CO 0.15 0.34 1.06 -0.47 -0.92 0.00 0.00 175.35 175.52 3lml s TYR 294 N -1.52 3.32 0.07 3.18 6.14 0.06 -4.97 117.35 123.63 3lml s TYR 294 Ca 0.47 -1.61 -0.37 0.00 0.64 0.00 0.00 57.07 56.21 3lml s TYR 294 Cb -0.20 -4.17 -0.16 0.00 0.42 0.00 0.00 41.96 37.85 3lml s TYR 294 CO 0.25 -1.36 1.40 -3.47 0.64 0.00 0.00 175.55 173.01 3lml n ASP 295 N 5.81 1.86 0.00 4.32 2.03 -1.26 -1.66 116.55 127.65 3lml n ASP 295 Ca 0.23 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.65 3lml n ASP 295 Cb 0.48 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 3lml n ASP 295 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3lml n GLY 296 N 2.74 1.18 3.72 0.27 0.00 -1.26 -5.04 105.19 106.79 3lml n GLY 296 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3lml n GLY 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml s ALA 297 N -2.28 3.66 -1.02 4.61 0.00 -0.66 -1.19 121.76 124.88 3lml s ALA 297 Ca 0.00 -0.69 0.21 0.00 0.00 0.00 0.00 51.96 51.48 3lml s ALA 297 Cb 0.00 -2.23 -0.22 0.00 0.00 0.00 0.00 23.12 20.67 3lml s ALA 297 CO 0.00 0.09 0.89 0.44 0.00 0.00 0.00 175.76 177.18 3lml n ILE 298 N 3.67 0.00 -3.59 0.00 -5.35 0.69 -3.99 119.36 110.79 3lml n ILE 298 Ca -0.15 -0.02 -0.11 0.00 -0.27 0.00 0.00 62.75 62.20 3lml n ILE 298 Cb 0.52 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.37 3lml n ILE 298 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3lml s ASP 299 N -2.95 -0.42 -0.37 7.28 2.15 -1.11 -4.79 116.67 116.46 3lml s ASP 299 Ca 0.08 0.55 -0.18 0.00 0.43 0.00 0.00 52.55 53.44 3lml s ASP 299 Cb 0.16 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 3lml s ASP 299 CO 0.85 -0.32 0.50 0.00 -0.17 0.00 0.00 175.17 176.02 3lml s ALA 300 N -0.79 3.46 -0.18 3.66 0.00 -1.26 0.39 121.76 127.04 3lml s ALA 300 Ca -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3lml s ALA 300 Cb -0.02 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 20.10 3lml s ALA 300 CO 0.01 -1.31 -0.19 0.95 0.00 0.00 0.00 175.76 175.22 3lml s THR 301 N 2.36 2.17 0.73 0.00 -4.23 -0.69 -2.63 115.64 113.34 3lml s THR 301 Ca 0.17 -0.91 -0.10 0.00 -1.18 0.00 0.00 61.69 59.68 3lml s THR 301 Cb -0.16 -1.91 0.05 0.00 1.34 0.00 0.00 72.50 71.82 3lml s THR 301 CO 0.14 0.53 1.08 -2.16 -0.54 0.00 0.00 174.62 173.67 3lml s PRO 302 N 1.25 2.33 0.34 3.99 0.04 -1.26 -1.81 135.00 139.88 3lml s PRO 302 Ca 0.04 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3lml s PRO 302 Cb -0.13 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3lml s PRO 302 CO -0.11 -1.27 0.54 1.03 0.04 0.00 0.00 177.00 177.24 3lml s ARG 303 N -5.36 3.49 -0.07 4.56 0.52 -1.08 -4.67 118.95 116.34 3lml s ARG 303 Ca 0.60 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 3lml s ARG 303 Cb -0.11 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.70 3lml s ARG 303 CO 0.48 0.16 -0.17 -0.51 0.02 0.00 0.00 175.30 175.28 3lml s LEU 304 N -4.24 1.83 0.89 2.53 1.02 -1.26 -5.09 118.68 114.36 3lml s LEU 304 Ca 0.40 -0.40 -0.11 0.00 0.02 0.00 0.00 54.13 54.04 3lml s LEU 304 Cb -0.10 -1.05 0.13 0.00 0.02 0.00 0.00 46.19 45.20 3lml s LEU 304 CO 0.35 0.09 1.10 0.00 0.02 0.00 0.00 176.35 177.91 3lml s ALA 305 N 0.48 1.52 0.23 4.21 0.00 -1.26 -4.57 121.76 122.37 3lml s ALA 305 Ca -0.15 0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 3lml s ALA 305 Cb -0.16 -3.27 0.39 0.00 0.00 0.00 0.00 23.12 20.08 3lml s ALA 305 CO 0.05 -2.42 1.67 -0.91 0.00 0.00 0.00 175.76 174.15 3lml h ASN 306 N -1.60 -0.15 -0.41 0.00 4.21 -2.00 0.20 115.58 115.83 3lml h ASN 306 Ca -0.48 0.15 -0.10 0.00 1.21 0.00 0.00 56.30 57.09 3lml h ASN 306 Cb 1.27 0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 38.70 3lml h ASN 306 CO 0.51 -0.09 -0.09 -2.24 -1.29 0.00 0.00 177.43 174.23 3lml h ASP 307 N 0.19 0.85 -0.35 5.81 3.04 -1.98 0.57 116.42 124.54 3lml h ASP 307 Ca 0.38 -0.25 -0.08 0.00 -3.24 0.00 0.00 57.03 53.83 3lml h ASP 307 Cb 0.63 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 38.68 3lml h ASP 307 CO -0.53 0.96 -0.11 -0.33 -2.04 0.00 0.00 179.24 177.19 3lml h GLU 308 N 0.78 0.69 0.53 4.15 5.08 -1.48 -0.29 114.58 124.03 3lml h GLU 308 Ca 0.13 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3lml h GLU 308 Cb 0.60 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3lml h GLU 308 CO 0.04 0.86 -0.25 0.00 -1.00 0.00 0.00 179.01 178.66 3lml h ALA 309 N 0.80 -0.71 -1.00 3.43 0.00 -0.54 0.45 119.26 121.70 3lml h ALA 309 Ca 0.08 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.99 3lml h ALA 309 Cb 0.63 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3lml h ALA 309 CO 0.04 -0.80 0.61 1.49 0.00 0.00 0.00 179.25 180.60 3lml h GLU 310 N -0.92 0.72 0.53 0.00 4.81 -0.92 0.96 114.58 119.76 3lml h GLU 310 Ca -0.07 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3lml h GLU 310 Cb 0.62 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.84 3lml h GLU 310 CO 0.12 0.48 -0.25 1.49 -0.73 0.00 0.00 179.01 180.11 3lml h GLU 311 N 0.74 -0.68 -0.31 1.92 4.57 -0.59 -2.40 114.58 117.84 3lml h GLU 311 Ca 0.56 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.86 3lml h GLU 311 Cb 0.90 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 29.58 3lml h GLU 311 CO -0.35 -0.43 -0.21 0.00 -1.18 0.00 0.00 179.01 176.85 3lml h ALA 312 N -0.33 -0.01 -1.01 2.92 0.00 0.20 -1.13 119.26 119.90 3lml h ALA 312 Ca -0.07 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3lml h ALA 312 Cb 0.57 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3lml h ALA 312 CO 0.12 -0.61 0.64 -0.07 0.00 0.00 0.00 179.25 179.34 3lml h LEU 313 N -0.18 0.98 -2.20 0.00 3.38 -0.90 0.16 115.31 116.54 3lml h LEU 313 Ca 0.16 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3lml h LEU 313 Cb 0.42 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3lml h LEU 313 CO -0.41 0.56 0.08 -0.61 0.09 0.00 0.00 178.44 178.15 3lml h GLN 314 N 1.07 0.00 -0.65 1.13 5.75 -0.68 -0.45 115.11 121.28 3lml h GLN 314 Ca 0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.97 3lml h GLN 314 Cb 0.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 3lml h GLN 314 CO -0.23 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.04 3lml n ASN 315 N -4.15 4.58 -2.58 -0.69 5.03 0.52 -4.94 115.26 113.02 3lml n ASN 315 Ca -0.01 -2.44 -0.13 0.00 0.87 0.00 0.00 54.58 52.87 3lml n ASN 315 Cb 0.18 -0.57 0.06 0.00 -1.02 0.00 0.00 39.78 38.43 3lml n ASN 315 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3lml n GLY 316 N 1.08 -0.07 3.55 7.41 0.00 -0.18 -4.89 105.19 112.09 3lml n GLY 316 Ca 0.24 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3lml n GLY 316 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lml s GLU 317 N -5.25 3.10 -0.64 1.61 2.02 -0.97 -3.66 118.70 114.91 3lml s GLU 317 Ca 0.14 -0.53 -0.24 0.00 0.02 0.00 0.00 54.97 54.36 3lml s GLU 317 Cb -0.06 -2.72 0.05 0.00 0.10 0.00 0.00 34.13 31.50 3lml s GLU 317 CO 0.48 0.51 1.03 0.12 0.02 0.00 0.00 175.26 177.42 3lml s PHE 318 N -0.38 2.63 0.06 1.61 2.19 0.92 -4.45 117.98 120.56 3lml s PHE 318 Ca 0.06 -0.26 0.04 0.00 0.33 0.00 0.00 56.93 57.10 3lml s PHE 318 Cb -0.12 -4.30 -0.04 0.00 -1.31 0.00 0.00 43.02 37.24 3lml s PHE 318 CO 0.02 -1.65 -0.03 0.14 1.83 0.00 0.00 175.22 175.54 3lml s VAL 319 N 4.40 3.88 -0.12 3.12 -7.23 -1.26 -1.41 120.40 121.77 3lml s VAL 319 Ca 0.28 -0.92 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 3lml s VAL 319 Cb -0.14 -2.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 3lml s VAL 319 CO 0.14 0.21 -0.08 -0.76 -0.31 0.00 0.00 175.10 174.31 3lml s LEU 320 N -2.00 3.05 0.03 1.32 1.43 -1.26 -1.06 118.68 120.19 3lml s LEU 320 Ca 0.22 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 3lml s LEU 320 Cb -0.11 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3lml s LEU 320 CO 0.14 0.22 -0.25 0.42 0.23 0.00 0.00 176.35 177.12 3lml s THR 321 N 0.04 1.97 -0.19 5.49 -4.23 -0.29 -4.80 115.64 113.63 3lml s THR 321 Ca -0.02 -1.26 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 3lml s THR 321 Cb -0.14 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3lml s THR 321 CO 0.03 0.37 0.51 0.12 -0.54 0.00 0.00 174.62 175.11 3lml s PHE 322 N -0.75 3.39 -0.51 3.99 5.36 -1.26 -1.49 117.98 126.71 3lml s PHE 322 Ca 0.10 0.78 -0.16 0.00 -0.96 0.00 0.00 56.93 56.69 3lml s PHE 322 Cb -0.10 -2.66 0.09 0.00 -0.34 0.00 0.00 43.02 40.02 3lml s PHE 322 CO 0.01 -0.07 0.48 0.34 -1.46 0.00 0.00 175.22 174.52 3lml s ASP 323 N 1.10 6.17 0.62 6.13 2.15 -0.35 -4.92 116.67 127.57 3lml s ASP 323 Ca 0.24 -1.44 0.38 0.00 0.43 0.00 0.00 52.55 52.16 3lml s ASP 323 Cb -0.15 -2.21 2.05 0.00 -0.30 0.00 0.00 42.92 42.30 3lml s ASP 323 CO 0.10 -0.78 2.27 0.00 -0.17 0.00 0.00 175.17 176.58 3lml h ALA 324 N 8.86 1.16 0.81 3.66 0.00 -1.96 0.35 119.26 132.14 3lml h ALA 324 Ca -0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3lml h ALA 324 Cb 1.10 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3lml h ALA 324 CO 0.96 0.02 -0.39 -0.09 0.00 0.00 0.00 179.25 179.75 3lml h ARG 325 N 0.00 -1.05 -0.01 0.00 9.65 -1.95 -3.21 114.38 117.81 3lml h ARG 325 Ca -0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3lml h ARG 325 Cb 0.10 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3lml h ARG 325 CO 0.00 -0.70 -0.15 -3.47 2.80 0.00 0.00 179.97 178.46 3lml n ASP 326 N -5.35 1.23 -3.64 -3.80 2.03 -1.15 -4.98 116.55 100.89 3lml n ASP 326 Ca -0.13 -1.14 -0.28 0.00 0.52 0.00 0.00 54.79 53.75 3lml n ASP 326 Cb 0.43 0.08 0.04 0.00 -0.72 0.00 0.00 41.12 40.94 3lml n ASP 326 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3lml n LYS 327 N -0.30 -1.24 -3.57 -0.67 5.02 0.12 -5.01 118.16 112.50 3lml n LYS 327 Ca 0.15 0.58 -0.16 0.00 -2.02 0.00 0.00 58.31 56.86 3lml n LYS 327 Cb 0.35 -4.07 -0.06 0.00 -0.02 0.00 0.00 35.03 31.23 3lml n LYS 327 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lml s ALA 328 N -3.37 -1.48 -0.07 7.82 0.00 -1.09 -4.96 121.76 118.61 3lml s ALA 328 Ca 0.39 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3lml s ALA 328 Cb -0.14 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3lml s ALA 328 CO 0.86 -0.40 0.09 0.54 0.00 0.00 0.00 175.76 176.85 3lml s VAL 329 N -1.63 5.01 0.16 0.00 0.11 -1.26 -1.21 120.40 121.58 3lml s VAL 329 Ca -0.10 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 3lml s VAL 329 Cb -0.01 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.60 3lml s VAL 329 CO 0.05 0.53 0.14 -0.72 -3.33 0.00 0.00 175.10 171.77 3lml s TYR 330 N -1.06 0.83 -0.04 1.54 1.13 -0.56 -0.76 117.35 118.44 3lml s TYR 330 Ca 0.17 -1.16 -0.30 0.00 -1.41 0.00 0.00 57.07 54.38 3lml s TYR 330 Cb -0.12 -0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 40.32 3lml s TYR 330 CO 0.07 -0.61 1.22 0.08 -2.51 0.00 0.00 175.55 173.80 3lml s VAL 331 N -4.06 4.17 0.20 -3.49 1.01 -0.46 -1.14 120.40 116.63 3lml s VAL 331 Ca 0.27 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 3lml s VAL 331 Cb 0.06 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3lml s VAL 331 CO 0.04 0.01 1.60 -0.33 0.00 0.00 0.00 175.10 176.42 3lml h GLU 332 N 7.43 0.82 -1.30 2.72 4.39 -1.43 0.13 114.58 127.34 3lml h GLU 332 Ca -0.35 -0.35 0.15 0.00 0.34 0.00 0.00 59.36 59.15 3lml h GLU 332 Cb 1.17 -0.03 -0.28 0.00 -0.10 0.00 0.00 28.75 29.51 3lml h GLU 332 CO 0.87 0.98 0.43 -1.14 -1.16 0.00 0.00 179.01 178.99 3lml s GLN 333 N -4.57 0.29 -1.15 2.33 0.74 -1.26 -4.68 119.66 111.35 3lml s GLN 333 Ca -0.10 0.54 -0.22 0.00 0.05 0.00 0.00 55.36 55.64 3lml s GLN 333 Cb 0.13 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.35 3lml s GLN 333 CO 0.85 -0.07 1.82 0.34 -0.55 0.00 0.00 175.29 177.68 3lml s ASP 334 N 1.51 5.75 0.38 6.67 2.15 -1.26 -4.67 116.67 127.21 3lml s ASP 334 Ca -0.07 -1.71 0.08 0.00 0.43 0.00 0.00 52.55 51.28 3lml s ASP 334 Cb -0.04 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.93 3lml s ASP 334 CO -0.14 -2.28 -0.02 -0.76 -0.17 0.00 0.00 175.17 171.80 3lml s LEU 335 N 8.17 2.85 0.39 -1.34 1.43 -1.26 -1.48 118.68 127.44 3lml s LEU 335 Ca 0.62 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 3lml s LEU 335 Cb -0.00 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 3lml s LEU 335 CO 0.07 -0.36 0.03 0.54 0.23 0.00 0.00 176.35 176.86 3lml s ASN 336 N -3.69 3.30 0.30 2.29 6.03 -0.93 -4.66 114.94 117.59 3lml s ASN 336 Ca 0.34 -1.42 0.19 0.00 -1.03 0.00 0.00 52.86 50.94 3lml s ASN 336 Cb 0.07 -0.12 1.02 0.00 -3.03 0.00 0.00 41.25 39.18 3lml s ASN 336 CO 0.18 -0.58 1.55 -1.54 -2.03 0.00 0.00 177.10 174.67 3lml n SER 337 N -0.92 0.49 -4.68 3.54 3.41 0.04 -4.57 113.62 110.92 3lml n SER 337 Ca -0.06 0.70 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 3lml n SER 337 Cb 0.67 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3lml n SER 337 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3lml s LEU 338 N -4.34 4.40 0.00 1.04 2.96 -1.18 -2.83 118.68 118.74 3lml s LEU 338 Ca -0.02 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.59 3lml s LEU 338 Cb 0.05 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.19 3lml s LEU 338 CO 0.17 -1.01 0.00 0.35 -1.32 0.00 0.00 176.35 174.54 3lml n THR 339 N 4.97 0.00 -2.14 3.68 -2.24 -1.26 -4.71 114.28 112.58 3lml n THR 339 Ca 0.18 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.66 3lml n THR 339 Cb 0.39 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.65 3lml n THR 339 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3lml s THR 340 N -1.91 3.52 0.00 4.28 -1.32 -1.26 -4.97 115.64 113.99 3lml s THR 340 Ca 0.00 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3lml s THR 340 Cb 0.00 -4.19 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 3lml s THR 340 CO 0.00 -1.13 0.00 0.49 -2.21 0.00 0.00 174.62 171.77 3lml n PHE 341 N 12.92 -3.44 -4.00 9.09 3.72 -1.26 -5.09 117.46 129.40 3lml n PHE 341 Ca 0.36 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.79 3lml n PHE 341 Cb 0.48 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.03 3lml n PHE 341 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3lml n SER 342 N -2.77 -0.61 0.06 4.37 3.41 -0.88 -5.00 113.62 112.20 3lml n SER 342 Ca 0.00 -1.05 -0.13 0.00 -0.26 0.00 0.00 58.87 57.44 3lml n SER 342 Cb 0.00 0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 64.80 3lml n SER 342 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3lml h LYS 343 N 0.00 -0.08 0.34 4.33 3.64 -1.99 -3.10 116.57 119.71 3lml h LYS 343 Ca -0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3lml h LYS 343 Cb 0.67 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3lml h LYS 343 CO 0.17 0.03 -0.47 0.93 -2.27 0.00 0.00 179.45 177.84 3lml h GLU 344 N -0.16 -0.81 -4.34 1.90 3.07 -2.03 -3.39 114.58 108.82 3lml h GLU 344 Ca -0.01 0.06 -0.61 0.00 -0.50 0.00 0.00 59.36 58.29 3lml h GLU 344 Cb 0.14 0.18 -0.38 0.00 -0.84 0.00 0.00 28.75 27.85 3lml h GLU 344 CO 0.01 -0.54 -0.78 -1.59 -1.40 0.00 0.00 179.01 174.72 3lml s LYS 345 N -5.53 1.55 0.79 2.33 -2.85 -1.23 -5.01 119.74 109.78 3lml s LYS 345 Ca -0.16 -1.09 -0.13 0.00 -1.00 0.00 0.00 55.97 53.59 3lml s LYS 345 Cb 0.04 -2.61 0.20 0.00 -2.06 0.00 0.00 37.83 33.41 3lml s LYS 345 CO 0.54 -0.66 0.55 -1.13 0.10 0.00 0.00 175.35 174.75 3lml n SER 346 N 4.64 -2.61 0.14 0.03 3.41 -1.17 -2.07 113.62 115.98 3lml n SER 346 Ca -0.10 -0.65 -0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3lml n SER 346 Cb 0.44 -0.57 0.26 0.00 -0.26 0.00 0.00 64.21 64.07 3lml n SER 346 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3lml h SER 347 N -2.57 0.09 -1.39 4.04 0.87 -1.97 -3.01 113.55 109.61 3lml h SER 347 Ca -0.23 -0.04 0.40 0.00 -1.23 0.00 0.00 61.79 60.69 3lml h SER 347 Cb 0.75 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.62 3lml h SER 347 CO 0.14 0.54 1.00 0.11 -0.53 0.00 0.00 176.83 178.09 3lml h LYS 348 N 0.07 0.01 0.00 2.24 6.56 -1.97 -1.06 116.57 122.42 3lml h LYS 348 Ca 0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3lml h LYS 348 Cb 0.84 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 3lml h LYS 348 CO 0.06 0.01 0.00 1.19 -2.06 0.00 0.00 179.45 178.65 3lml n PHE 349 N -4.14 0.03 0.06 -1.35 3.72 -1.14 -2.01 117.46 112.63 3lml n PHE 349 Ca 0.31 0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.59 3lml n PHE 349 Cb 1.44 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 39.32 3lml n PHE 349 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3lml h ARG 350 N 0.00 0.15 -6.35 -1.08 0.11 -1.44 -3.44 114.38 102.34 3lml h ARG 350 Ca 0.00 -0.26 -0.57 0.00 0.10 0.00 0.00 59.98 59.25 3lml h ARG 350 Cb 0.08 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.22 3lml h ARG 350 CO 0.00 1.04 1.04 0.15 0.10 0.00 0.00 179.97 182.30 3lml s LYS 351 N -2.65 3.83 0.45 0.08 1.02 -0.85 -2.19 119.74 119.42 3lml s LYS 351 Ca -0.04 1.34 0.19 0.00 0.02 0.00 0.00 55.97 57.48 3lml s LYS 351 Cb 0.08 -3.95 1.15 0.00 -0.52 0.00 0.00 37.83 34.60 3lml s LYS 351 CO 0.85 -1.24 1.91 -0.91 -0.92 0.00 0.00 175.35 175.04 3lml h ASN 352 N 9.95 0.30 0.30 2.83 -0.26 -1.54 -2.28 115.58 124.89 3lml h ASN 352 Ca -0.29 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.47 3lml h ASN 352 Cb 1.12 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.33 3lml h ASN 352 CO 1.03 0.14 -0.22 0.50 -1.06 0.00 0.00 177.43 177.82 3lml h LYS 353 N 0.31 -0.50 -0.78 0.81 3.64 -1.90 0.44 116.57 118.58 3lml h LYS 353 Ca 0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3lml h LYS 353 Cb 1.06 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 3lml h LYS 353 CO -0.11 -0.33 0.50 0.82 -2.27 0.00 0.00 179.45 178.06 3lml h ILE 354 N -0.52 1.20 -0.19 2.00 2.04 -1.73 -2.76 117.51 117.55 3lml h ILE 354 Ca -0.02 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3lml h ILE 354 Cb 0.45 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3lml h ILE 354 CO 0.00 0.20 -0.14 -1.28 0.00 0.00 0.00 178.15 176.93 3lml h SER 355 N 1.06 0.46 -0.98 1.72 0.87 -0.86 -2.63 113.55 113.18 3lml h SER 355 Ca 0.28 -0.45 0.13 0.00 -1.23 0.00 0.00 61.79 60.53 3lml h SER 355 Cb -0.10 -0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 61.64 3lml h SER 355 CO -0.06 0.81 0.60 0.03 -0.53 0.00 0.00 176.83 177.68 3lml h ARG 356 N 0.11 0.89 0.75 2.24 3.08 0.07 0.73 114.38 122.25 3lml h ARG 356 Ca 0.04 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3lml h ARG 356 Cb 0.66 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.51 3lml h ARG 356 CO 0.04 0.59 -0.36 0.82 -1.07 0.00 0.00 179.97 179.98 3lml h ILE 357 N 0.91 0.00 0.11 2.04 1.08 -1.45 -0.98 117.51 119.23 3lml h ILE 357 Ca 0.50 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.83 3lml h ILE 357 Cb 0.57 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 3lml h ILE 357 CO -0.29 0.00 -0.34 -0.07 -0.69 0.00 0.00 178.15 176.75 3lml h LEU 358 N -1.16 -1.02 -0.50 1.44 3.38 -1.04 0.87 115.31 117.29 3lml h LEU 358 Ca -0.10 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3lml h LEU 358 Cb 0.78 0.37 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3lml h LEU 358 CO 0.17 -0.37 -0.53 0.44 0.09 0.00 0.00 178.44 178.23 3lml h ASP 359 N -0.51 -1.81 -0.50 -0.43 3.32 0.35 -1.68 116.42 115.16 3lml h ASP 359 Ca -0.01 0.25 0.07 0.00 0.02 0.00 0.00 57.03 57.37 3lml h ASP 359 Cb 0.50 0.76 -0.10 0.00 0.22 0.00 0.00 39.33 40.72 3lml h ASP 359 CO -0.17 -0.37 -0.46 1.23 -1.72 0.00 0.00 179.24 177.75 3lml h GLY 360 N -0.33 -0.61 -0.38 2.75 0.00 -0.82 0.25 103.07 103.93 3lml h GLY 360 Ca 0.10 0.59 0.04 0.00 0.00 0.00 0.00 47.33 48.07 3lml h GLY 360 CO -0.65 -0.16 -0.36 -2.22 0.00 0.00 0.00 176.54 173.16 3lml h ILE 361 N -0.29 0.00 -0.26 2.60 2.04 0.04 0.21 117.51 121.84 3lml h ILE 361 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 3lml h ILE 361 Cb 0.57 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 3lml h ILE 361 CO -0.64 0.00 -0.42 -1.13 0.00 0.00 0.00 178.15 175.97 3lml h ASN 362 N -0.16 -1.34 -0.53 1.72 -0.73 -0.74 0.30 115.58 114.09 3lml h ASN 362 Ca 0.06 0.19 0.10 0.00 1.87 0.00 0.00 56.30 58.53 3lml h ASN 362 Cb 0.33 0.57 -0.11 0.00 0.27 0.00 0.00 38.32 39.39 3lml h ASN 362 CO -0.45 -0.39 -0.28 0.78 -0.37 0.00 0.00 177.43 176.72 3lml h ASN 363 N -0.40 -0.97 -0.40 1.15 -0.26 0.02 -0.43 115.58 114.29 3lml h ASN 363 Ca 0.11 0.20 -0.08 0.00 -0.56 0.00 0.00 56.30 55.97 3lml h ASN 363 Cb 0.60 0.50 -0.02 0.00 -1.06 0.00 0.00 38.32 38.34 3lml h ASN 363 CO -0.48 -0.28 -0.03 0.44 -1.06 0.00 0.00 177.43 176.02 3lml h ASP 364 N -0.15 0.78 -0.68 5.81 3.32 0.15 -2.42 116.42 123.23 3lml h ASP 364 Ca 0.23 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.18 3lml h ASP 364 Cb 0.52 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.79 3lml h ASP 364 CO -0.62 0.87 0.31 0.74 -1.72 0.00 0.00 179.24 178.82 3lml h THR 365 N 0.75 0.79 0.00 0.35 2.02 0.12 0.21 112.91 117.16 3lml h THR 365 Ca 0.14 -0.18 -0.23 0.00 0.77 0.00 0.00 66.41 66.91 3lml h THR 365 Cb 0.50 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3lml h THR 365 CO 0.03 0.09 -0.96 0.08 0.37 0.00 0.00 175.52 175.13 3lml h ARG 366 N 0.51 0.45 0.03 6.66 0.11 -1.19 -2.86 114.38 118.10 3lml h ARG 366 Ca 0.34 -0.49 -0.19 0.00 0.10 0.00 0.00 59.98 59.74 3lml h ARG 366 Cb 0.41 0.14 0.02 0.00 1.11 0.00 0.00 29.97 31.65 3lml h ARG 366 CO -0.30 1.14 -0.77 -0.09 0.10 0.00 0.00 179.97 180.05 3lml h ARG 367 N 0.25 0.47 -0.42 0.08 2.43 -1.05 -2.35 114.38 113.79 3lml h ARG 367 Ca -0.09 -0.55 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3lml h ARG 367 Cb 1.60 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 31.30 3lml h ARG 367 CO 0.17 1.19 0.24 -0.91 -1.51 0.00 0.00 179.97 179.15 3lml h ASN 368 N -0.01 0.50 -0.16 -3.80 -0.26 -0.69 -0.05 115.58 111.11 3lml h ASN 368 Ca -0.10 -0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.49 3lml h ASN 368 Cb 1.48 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.62 3lml h ASN 368 CO 0.15 0.40 -0.37 0.40 -1.06 0.00 0.00 177.43 176.94 3lml h ILE 369 N 0.58 1.35 -0.71 2.81 1.08 -1.52 -2.85 117.51 118.24 3lml h ILE 369 Ca 0.15 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 62.98 3lml h ILE 369 Cb -0.00 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 3lml h ILE 369 CO -0.03 0.50 0.41 -0.07 -0.69 0.00 0.00 178.15 178.27 3lml h LEU 370 N 0.18 0.87 -0.16 1.44 3.38 -0.83 -1.38 115.31 118.81 3lml h LEU 370 Ca -0.00 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3lml h LEU 370 Cb 0.98 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3lml h LEU 370 CO 0.08 0.70 0.04 0.44 0.09 0.00 0.00 178.44 179.79 3lml h ASP 371 N 0.97 0.03 -0.98 -0.43 3.45 -1.05 -0.52 116.42 117.89 3lml h ASP 371 Ca 0.25 0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.76 3lml h ASP 371 Cb 0.00 0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 38.74 3lml h ASP 371 CO -0.04 0.04 0.65 0.00 -1.57 0.00 0.00 179.24 178.32 3lml h ALA 372 N 1.11 1.27 0.51 3.45 0.00 -1.28 0.28 119.26 124.60 3lml h ALA 372 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3lml h ALA 372 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3lml h ALA 372 CO -0.08 0.59 -0.28 0.82 0.00 0.00 0.00 179.25 180.29 3lml h ILE 373 N 1.29 0.00 0.00 0.00 1.08 -0.56 0.68 117.51 120.00 3lml h ILE 373 Ca 0.38 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.85 3lml h ILE 373 Cb -0.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.67 3lml h ILE 373 CO -0.10 0.00 0.00 2.29 -0.69 0.00 0.00 178.15 179.65 3lml n LYS 374 N -4.07 0.47 -0.09 2.37 2.85 -0.27 -1.84 118.16 117.59 3lml n LYS 374 Ca -0.09 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.05 3lml n LYS 374 Cb 0.29 -1.28 -0.09 0.00 -0.65 0.00 0.00 35.03 33.31 3lml n LYS 374 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3lml n GLU 375 N -0.78 0.56 0.25 -1.58 0.00 0.07 -3.95 120.64 115.21 3lml n GLU 375 Ca 0.06 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.45 3lml n GLU 375 Cb 0.03 -1.36 0.57 0.00 0.00 0.00 0.00 31.44 30.69 3lml n GLU 375 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3lml h ARG 376 N 0.00 0.00 -0.02 5.31 9.65 -0.36 -2.39 114.38 126.57 3lml h ARG 376 Ca -0.40 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.29 3lml h ARG 376 Cb 1.64 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.21 3lml h ARG 376 CO -0.05 0.14 -0.82 -0.22 2.80 0.00 0.00 179.97 181.81 3lml h LYS 377 N 0.00 0.26 0.00 0.20 3.64 -1.55 0.16 116.57 119.28 3lml h LYS 377 Ca -0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3lml h LYS 377 Cb 0.61 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3lml h LYS 377 CO 0.02 0.94 0.00 -0.25 -2.27 0.00 0.00 179.45 177.89 3lml n ASP 378 N -3.73 0.64 -0.81 4.20 10.43 -0.91 -1.46 116.55 124.91 3lml n ASP 378 Ca -0.04 0.64 0.09 0.00 2.57 0.00 0.00 54.79 58.05 3lml n ASP 378 Cb 0.76 -0.78 0.13 0.00 1.84 0.00 0.00 41.12 43.07 3lml n ASP 378 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3lml n ALA 379 N -1.76 2.41 -2.80 2.24 0.00 -1.17 -4.96 120.51 114.47 3lml n ALA 379 Ca 0.03 -0.83 -0.16 0.00 0.00 0.00 0.00 53.44 52.47 3lml n ALA 379 Cb 0.26 -0.63 0.03 0.00 0.00 0.00 0.00 19.45 19.10 3lml n ALA 379 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3lml n ASN 380 N 1.04 -4.88 -1.99 0.00 4.05 -0.53 -4.92 115.26 108.03 3lml n ASN 380 Ca 0.13 -0.21 -0.08 0.00 0.45 0.00 0.00 54.58 54.88 3lml n ASN 380 Cb 0.47 -3.74 0.06 0.00 1.23 0.00 0.00 39.78 37.80 3lml n ASN 380 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3lml n THR 381 N -4.17 1.73 -0.83 -0.44 -1.04 0.53 -5.02 114.28 105.04 3lml n THR 381 Ca -0.08 -3.21 -0.32 0.00 -2.04 0.00 0.00 64.05 58.40 3lml n THR 381 Cb 0.59 0.08 -0.04 0.00 -1.82 0.00 0.00 70.33 69.14 3lml n THR 381 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3lml n ASP 382 N -0.58 -0.20 -4.61 8.00 9.92 -1.07 -4.72 116.55 123.28 3lml n ASP 382 Ca 0.23 0.65 -0.43 0.00 -0.53 0.00 0.00 54.79 54.71 3lml n ASP 382 Cb 0.89 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.82 3lml n ASP 382 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3lml s ILE 383 N -0.16 3.38 0.66 0.53 1.01 -1.26 -4.96 121.20 120.40 3lml s ILE 383 Ca 0.47 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 61.34 3lml s ILE 383 Cb -0.66 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.32 3lml s ILE 383 CO 0.32 -0.29 1.28 -2.16 0.00 0.00 0.00 174.94 174.09 3lml s PRO 384 N 5.64 2.50 -0.46 2.79 0.04 -1.26 -4.91 135.00 139.35 3lml s PRO 384 Ca 0.84 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.86 3lml s PRO 384 Cb -0.26 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.57 3lml s PRO 384 CO 0.34 -1.62 2.51 0.00 0.04 0.00 0.00 177.00 178.26 3lml n ALA 385 N -2.02 6.13 -3.00 8.56 0.00 -1.26 -3.78 120.51 125.15 3lml n ALA 385 Ca 0.15 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.79 3lml n ALA 385 Cb 0.48 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3lml n ALA 385 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3lml n ASP 386 N 0.56 1.20 0.08 0.00 3.85 -1.26 -4.89 116.55 116.09 3lml n ASP 386 Ca 0.45 0.00 -0.06 0.00 -0.71 0.00 0.00 54.79 54.47 3lml n ASP 386 Cb 0.54 0.00 0.08 0.00 -1.35 0.00 0.00 41.12 40.40 3lml n ASP 386 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3lml h GLU 387 N 0.00 0.26 -0.22 0.11 4.11 -2.00 -2.88 114.58 113.96 3lml h GLU 387 Ca 0.00 -0.20 -0.11 0.00 0.07 0.00 0.00 59.36 59.12 3lml h GLU 387 Cb 0.00 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3lml h GLU 387 CO 0.00 0.83 -0.32 -0.91 0.07 0.00 0.00 179.01 178.68 3lml h ASN 388 N 0.19 0.48 -0.12 3.06 4.21 -1.97 -1.47 115.58 119.95 3lml h ASN 388 Ca -0.02 -0.18 -0.03 0.00 1.21 0.00 0.00 56.30 57.29 3lml h ASN 388 Cb 1.20 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 38.27 3lml h ASN 388 CO 0.10 0.77 -0.02 1.23 -1.29 0.00 0.00 177.43 178.22 3lml h GLY 389 N 1.07 0.25 0.62 2.83 0.00 -1.64 -2.08 103.07 104.12 3lml h GLY 389 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3lml h GLY 389 CO 0.06 0.19 -0.31 -2.08 0.00 0.00 0.00 176.54 174.40 3lml h VAL 390 N -0.07 0.36 -0.64 4.60 2.07 -1.36 -1.96 116.25 119.25 3lml h VAL 390 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 3lml h VAL 390 Cb 0.43 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 3lml h VAL 390 CO 0.01 0.00 0.20 -0.61 0.02 0.00 0.00 177.57 177.19 3lml h GLN 391 N -0.62 0.34 0.28 1.57 -0.00 -1.30 0.19 115.11 115.58 3lml h GLN 391 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3lml h GLN 391 Cb 0.58 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 27.95 3lml h GLN 391 CO -0.09 0.23 -0.45 0.35 0.00 0.00 0.00 178.83 178.87 3lml h PHE 392 N 0.35 -1.26 -0.55 3.99 3.57 -0.94 0.11 116.94 122.21 3lml h PHE 392 Ca 0.33 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.90 3lml h PHE 392 Cb 0.47 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 3lml h PHE 392 CO -0.20 -0.58 0.30 0.82 -2.23 0.00 0.00 178.31 176.42 3lml h ILE 393 N -0.79 0.97 -0.15 1.41 2.04 -0.73 -2.44 117.51 117.81 3lml h ILE 393 Ca -0.02 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.70 3lml h ILE 393 Cb 0.75 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3lml h ILE 393 CO -0.16 0.10 -0.17 0.25 0.00 0.00 0.00 178.15 178.17 3lml h LEU 394 N 0.57 -0.52 -1.28 1.44 5.85 -0.20 0.18 115.31 121.35 3lml h LEU 394 Ca 0.24 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3lml h LEU 394 Cb 0.13 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3lml h LEU 394 CO -0.16 -0.21 0.00 -0.24 -0.34 0.00 0.00 178.44 177.49 3lml n SER 395 N -5.31 0.00 0.00 1.25 2.88 0.36 -1.01 113.62 111.78 3lml n SER 395 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3lml n SER 395 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3lml n SER 395 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lml n GLN 397 N 0.53 0.00 -0.11 -1.46 1.13 0.05 -2.51 117.38 115.01 3lml n GLN 397 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 3lml n GLN 397 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 3lml n GLN 397 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3lml h THR 398 N 0.00 0.94 -0.64 5.09 2.02 -1.30 0.19 112.91 119.22 3lml h THR 398 Ca 0.00 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.15 3lml h THR 398 Cb 0.00 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 3lml h THR 398 CO 0.00 0.06 0.28 0.00 0.37 0.00 0.00 175.52 176.24 3lml h ALA 399 N 1.21 0.85 0.64 6.16 0.00 -1.75 0.72 119.26 127.09 3lml h ALA 399 Ca 0.16 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3lml h ALA 399 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3lml h ALA 399 CO -0.13 -0.12 -0.43 -0.92 0.00 0.00 0.00 179.25 177.65 3lml h TYR 400 N 0.50 -1.15 -0.42 0.00 3.20 -1.49 -1.28 116.97 116.32 3lml h TYR 400 Ca 0.31 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.27 3lml h TYR 400 Cb 0.34 0.42 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 3lml h TYR 400 CO -0.13 -0.63 -0.16 -0.07 -1.64 0.00 0.00 178.16 175.52 3lml h LEU 401 N -1.02 -0.56 -0.82 2.82 -0.00 -0.03 -0.82 115.31 114.88 3lml h LEU 401 Ca -0.08 0.15 0.04 0.00 -0.00 0.00 0.00 57.88 57.99 3lml h LEU 401 Cb 0.84 0.33 -0.05 0.00 -0.00 0.00 0.00 40.66 41.77 3lml h LEU 401 CO 0.05 -0.20 0.52 0.78 -0.00 0.00 0.00 178.44 179.60 3lml h ASN 402 N -0.07 0.85 -0.59 -0.43 2.35 -0.77 -1.62 115.58 115.30 3lml h ASN 402 Ca 0.21 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 3lml h ASN 402 Cb 0.39 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3lml h ASN 402 CO -0.47 0.58 0.27 -0.33 -1.65 0.00 0.00 177.43 175.82 3lml h GLU 403 N 1.00 0.48 0.00 0.81 4.39 0.04 0.46 114.58 121.76 3lml h GLU 403 Ca 0.34 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 3lml h GLU 403 Cb 0.05 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3lml h GLU 403 CO -0.13 0.32 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.89 3lml h LEU 404 N 0.50 0.00 -0.10 1.33 3.38 -0.42 -0.67 115.31 119.33 3lml h LEU 404 Ca 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 3lml h LEU 404 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3lml h LEU 404 CO -0.23 0.08 -0.33 -0.61 0.09 0.00 0.00 178.44 177.44 3lml h GLN 405 N 0.00 0.41 -0.88 1.13 4.15 -0.38 0.13 115.11 119.68 3lml h GLN 405 Ca -0.00 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 3lml h GLN 405 Cb 0.15 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 3lml h GLN 405 CO 0.01 0.93 0.50 -0.44 -1.93 0.00 0.00 178.83 177.89 3lml h ASP 406 N -0.03 1.09 0.38 -0.69 3.45 -0.60 -0.08 116.42 119.94 3lml h ASP 406 Ca -0.01 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.36 3lml h ASP 406 Cb 0.96 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 3lml h ASP 406 CO 0.07 0.86 0.00 -1.54 -1.57 0.00 0.00 179.24 177.06 3lml n SER 407 N -4.37 0.00 0.00 6.45 3.41 -0.31 -4.88 113.62 113.92 3lml n SER 407 Ca 0.09 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3lml n SER 407 Cb 0.08 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3lml n SER 407 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lml n GLY 408 N 0.45 0.46 0.12 5.00 0.00 -0.04 -4.97 105.19 106.20 3lml n GLY 408 Ca 0.10 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3lml n GLY 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lml n ALA 409 N -0.94 1.25 -2.81 4.61 0.00 0.45 -4.80 120.51 118.27 3lml n ALA 409 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 3lml n ALA 409 Cb 0.46 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 3lml n ALA 409 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3lml s ILE 410 N -2.55 0.49 0.32 0.00 -4.36 -1.13 -2.05 121.20 111.91 3lml s ILE 410 Ca -0.18 -1.14 0.04 0.00 -0.26 0.00 0.00 60.65 59.11 3lml s ILE 410 Cb 0.07 -0.66 -0.06 0.00 1.25 0.00 0.00 42.46 43.06 3lml s ILE 410 CO 0.76 -0.45 0.03 0.42 0.24 0.00 0.00 174.94 175.95 3lml s THR 411 N -1.61 1.29 -1.38 8.37 -4.23 -0.81 -4.09 115.64 113.18 3lml s THR 411 Ca -0.09 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.34 3lml s THR 411 Cb -0.08 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.06 3lml s THR 411 CO -0.00 -0.07 0.89 0.59 -0.54 0.00 0.00 174.62 175.49 3lml n ASN 412 N -0.67 -3.17 -4.54 3.99 3.02 -1.26 -4.33 115.26 108.31 3lml n ASN 412 Ca -0.03 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 3lml n ASN 412 Cb 0.66 -4.22 -0.08 0.00 -0.61 0.00 0.00 39.78 35.53 3lml n ASN 412 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3lml s PHE 413 N -3.47 3.16 -0.48 3.10 5.36 -1.26 -4.90 117.98 119.49 3lml s PHE 413 Ca 0.31 0.04 -0.13 0.00 -0.96 0.00 0.00 56.93 56.18 3lml s PHE 413 Cb -0.15 -2.98 0.10 0.00 -0.34 0.00 0.00 43.02 39.65 3lml s PHE 413 CO 0.80 -0.62 0.38 0.34 -1.46 0.00 0.00 175.22 174.67 3lml s ASP 414 N 1.81 5.97 0.32 6.13 2.15 -1.26 -4.92 116.67 126.87 3lml s ASP 414 Ca 0.18 -1.58 0.06 0.00 0.43 0.00 0.00 52.55 51.64 3lml s ASP 414 Cb -0.16 -2.12 0.33 0.00 -0.30 0.00 0.00 42.92 40.67 3lml s ASP 414 CO 0.14 -0.68 1.00 -1.20 -0.17 0.00 0.00 175.17 174.26 3lml n SER 415 N 5.10 0.16 0.00 -0.34 7.64 -1.26 -2.80 113.62 122.12 3lml n SER 415 Ca -0.12 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.15 3lml n SER 415 Cb 0.42 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3lml n SER 415 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3lml n THR 416 N -1.88 0.00 -2.71 0.44 -1.04 -1.26 -4.64 114.28 103.19 3lml n THR 416 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 3lml n THR 416 Cb 0.55 -0.16 0.01 0.00 -1.82 0.00 0.00 70.33 68.91 3lml n THR 416 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lml n ALA 417 N -0.96 5.85 -0.21 2.41 0.00 -1.13 -4.21 120.51 122.26 3lml n ALA 417 Ca 0.00 -4.64 0.00 0.00 0.00 0.00 0.00 53.44 48.80 3lml n ALA 417 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3lml n ALA 417 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lml n ASP 418 N 0.04 0.00 -3.73 0.00 10.43 -1.12 -4.91 116.55 117.27 3lml n ASP 418 Ca 0.43 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.65 3lml n ASP 418 Cb 0.28 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.09 3lml n ASP 418 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3lml s ILE 419 N 0.00 -0.10 -0.02 0.53 1.10 -1.26 -0.81 121.20 120.64 3lml s ILE 419 Ca 0.00 0.23 -0.03 0.00 -0.51 0.00 0.00 60.65 60.33 3lml s ILE 419 Cb 0.00 -0.25 0.00 0.00 0.15 0.00 0.00 42.46 42.36 3lml s ILE 419 CO 0.00 0.09 0.08 0.42 -2.11 0.00 0.00 174.94 173.42 3lml s THR 420 N 1.46 0.03 0.01 4.00 -4.23 -0.17 -4.90 115.64 111.84 3lml s THR 420 Ca -0.06 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 3lml s THR 420 Cb -0.12 -0.20 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 3lml s THR 420 CO -0.06 -0.15 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.04 3lml s VAL 421 N -0.46 1.13 0.14 2.29 1.01 -1.26 -1.18 120.40 122.07 3lml s VAL 421 Ca -0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3lml s VAL 421 Cb -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3lml s VAL 421 CO 0.00 0.20 0.19 -1.54 0.00 0.00 0.00 175.10 173.95 3lml n SER 422 N 2.39 -0.52 -4.88 3.32 3.41 -0.48 -4.95 113.62 111.92 3lml n SER 422 Ca -0.16 -1.74 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 3lml n SER 422 Cb 0.55 0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 65.43 3lml n SER 422 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lml s LEU 423 N 0.00 4.27 0.00 1.04 2.01 -1.26 -1.64 118.68 123.10 3lml s LEU 423 Ca 0.11 0.74 0.00 0.00 0.01 0.00 0.00 54.13 54.99 3lml s LEU 423 Cb -0.00 -3.28 0.00 0.00 0.01 0.00 0.00 46.19 42.91 3lml s LEU 423 CO 0.08 0.07 0.08 -3.20 1.01 0.00 0.00 176.35 174.38 3lml n ASN 424 N 0.32 0.09 0.00 2.29 5.15 0.84 -4.73 115.26 119.22 3lml n ASN 424 Ca -0.04 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 3lml n ASN 424 Cb 0.52 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 3lml n ASN 424 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3lml n ASN 425 N 0.20 0.00 -0.35 1.20 3.02 -1.26 -4.24 115.26 113.82 3lml n ASN 425 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3lml n ASN 425 Cb 0.02 -0.29 0.10 0.00 -0.61 0.00 0.00 39.78 39.00 3lml n ASN 425 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lml n ASN 426 N 0.04 2.57 -4.24 6.41 3.02 -1.26 -4.98 115.26 116.82 3lml n ASN 426 Ca 0.00 -2.17 -0.38 0.00 -0.03 0.00 0.00 54.58 52.01 3lml n ASN 426 Cb 0.00 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 3lml n ASN 426 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3lml n VAL 427 N -0.15 -0.11 -0.52 2.41 0.24 -1.26 -4.73 118.33 114.21 3lml n VAL 427 Ca 0.08 -0.06 0.01 0.00 -2.04 0.00 0.00 64.34 62.33 3lml n VAL 427 Cb 0.41 -0.51 0.01 0.00 -1.47 0.00 0.00 33.84 32.28 3lml n VAL 427 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3lml n ASP 428 N -2.20 1.22 -3.70 -1.34 5.75 -1.26 -4.79 116.55 110.22 3lml n ASP 428 Ca 0.06 -1.72 -0.03 0.00 -0.01 0.00 0.00 54.79 53.10 3lml n ASP 428 Cb 0.43 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.48 3lml n ASP 428 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3lml s GLY 429 N -0.77 -0.23 0.00 6.12 0.00 -1.26 -2.39 107.32 108.78 3lml s GLY 429 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.96 3lml s GLY 429 CO 0.00 0.22 -0.11 -1.36 0.00 0.00 0.00 173.10 171.85 3lml s PHE 430 N -3.05 2.76 -0.14 1.90 0.40 0.81 -0.11 117.98 120.55 3lml s PHE 430 Ca 0.13 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3lml s PHE 430 Cb -0.00 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 3lml s PHE 430 CO 0.02 0.31 -0.14 0.42 0.70 0.00 0.00 175.22 176.52 3lml s ILE 431 N -0.93 2.85 -0.24 0.64 1.01 -0.65 -0.01 121.20 123.86 3lml s ILE 431 Ca 0.15 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3lml s ILE 431 Cb -0.11 -2.20 0.05 0.00 0.01 0.00 0.00 42.46 40.22 3lml s ILE 431 CO 0.06 0.52 -0.13 -0.69 0.00 0.00 0.00 174.94 174.69 3lml s VAL 432 N 0.56 2.14 -0.12 2.92 1.01 0.55 -1.38 120.40 126.09 3lml s VAL 432 Ca -0.09 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.36 3lml s VAL 432 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3lml s VAL 432 CO 0.04 0.09 0.06 0.20 0.00 0.00 0.00 175.10 175.49 3lml s ASN 433 N 1.14 5.72 -0.17 3.32 0.02 -0.33 -0.67 114.94 123.98 3lml s ASN 433 Ca -0.06 0.24 -0.21 0.00 -1.02 0.00 0.00 52.86 51.81 3lml s ASN 433 Cb -0.18 -1.79 0.06 0.00 0.02 0.00 0.00 41.25 39.35 3lml s ASN 433 CO -0.07 0.35 0.57 0.00 0.02 0.00 0.00 177.10 177.97 3lml s GLN 434 N -0.66 0.73 -0.35 -0.60 -2.07 0.96 -1.00 119.66 116.66 3lml s GLN 434 Ca 0.12 0.63 -0.02 0.00 -1.82 0.00 0.00 55.36 54.26 3lml s GLN 434 Cb -0.12 0.35 0.08 0.00 -1.09 0.00 0.00 33.01 32.23 3lml s GLN 434 CO 0.02 -0.13 0.09 -1.12 -1.32 0.00 0.00 175.29 172.84 3lml s SER 435 N -0.07 5.06 0.19 12.60 0.01 0.01 -0.36 113.70 131.14 3lml s SER 435 Ca -0.03 -1.64 0.06 0.00 1.31 0.00 0.00 55.95 55.66 3lml s SER 435 Cb -0.04 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 3lml s SER 435 CO 0.02 -0.39 0.09 -0.63 0.41 0.00 0.00 173.24 172.74 3lml s ILE 436 N 1.19 4.15 -0.22 1.44 -1.09 -0.63 -4.80 121.20 121.24 3lml s ILE 436 Ca 0.02 -1.30 -0.01 0.00 -2.23 0.00 0.00 60.65 57.12 3lml s ILE 436 Cb -0.21 -3.13 0.06 0.00 -1.58 0.00 0.00 42.46 37.60 3lml s ILE 436 CO -0.03 -0.16 0.00 -0.70 -1.23 0.00 0.00 174.94 172.82 3lml s GLU 437 N -3.20 1.09 0.27 2.79 2.12 -1.26 0.02 118.70 120.53 3lml s GLU 437 Ca 0.30 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 3lml s GLU 437 Cb -0.09 -2.33 -0.11 0.00 0.26 0.00 0.00 34.13 31.87 3lml s GLU 437 CO 0.22 -0.65 1.50 -2.14 -0.54 0.00 0.00 175.26 173.64 3lml s PRO 438 N 1.63 4.21 0.00 4.30 0.02 -1.26 -1.91 135.00 141.98 3lml s PRO 438 Ca -0.02 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3lml s PRO 438 Cb -0.18 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3lml s PRO 438 CO -0.08 -0.50 0.00 1.33 -0.33 0.00 0.00 177.00 177.42 3lml n VAL 439 N 2.22 0.00 -2.80 3.83 0.24 -0.87 -3.03 118.33 117.92 3lml n VAL 439 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 3lml n VAL 439 Cb 0.39 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.75 3lml n VAL 439 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3lml s ASP 440 N 0.00 6.81 -0.30 -1.34 -0.00 -1.26 -4.74 116.67 115.84 3lml s ASP 440 Ca 0.00 -2.37 -0.15 0.00 -0.00 0.00 0.00 52.55 50.03 3lml s ASP 440 Cb 0.00 -2.47 0.18 0.00 -0.00 0.00 0.00 42.92 40.64 3lml s ASP 440 CO 0.00 -1.05 1.17 -0.94 -0.00 0.00 0.00 175.17 174.35 3lml s SER 441 N 3.71 -0.03 -0.52 0.27 1.04 -1.17 -5.00 113.70 112.00 3lml s SER 441 Ca 0.43 -0.00 -0.28 0.00 0.48 0.00 0.00 55.95 56.58 3lml s SER 441 Cb -0.01 0.62 -0.28 0.00 0.10 0.00 0.00 66.02 66.44 3lml s SER 441 CO -0.02 -0.01 1.82 0.61 0.98 0.00 0.00 173.24 176.62 3lml n GLY 442 N 4.40 0.56 3.50 7.32 0.00 -1.26 -4.66 105.19 115.05 3lml n GLY 442 Ca 0.08 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.44 3lml n GLY 442 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3lml s GLU 443 N 7.12 0.21 -0.05 1.61 2.12 -1.26 -5.14 118.70 123.31 3lml s GLU 443 Ca 0.71 0.43 -0.20 0.00 0.36 0.00 0.00 54.97 56.27 3lml s GLU 443 Cb 0.08 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 3lml s GLU 443 CO 0.25 -0.06 0.57 0.15 -0.54 0.00 0.00 175.26 175.64 3lml s LYS 444 N 1.69 4.33 -0.03 4.30 1.02 -1.26 -4.51 119.74 125.28 3lml s LYS 444 Ca -0.05 0.67 -0.01 0.00 0.02 0.00 0.00 55.97 56.59 3lml s LYS 444 Cb -0.03 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3lml s LYS 444 CO -0.15 0.26 0.06 -0.06 -0.92 0.00 0.00 175.35 174.55 3lml s PHE 445 N 0.20 3.27 -0.20 3.18 0.40 0.10 -4.90 117.98 120.03 3lml s PHE 445 Ca 0.31 0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 56.72 3lml s PHE 445 Cb -0.17 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 3lml s PHE 445 CO 0.15 0.54 0.30 -0.47 0.70 0.00 0.00 175.22 176.44 3lml s TYR 446 N -1.10 3.38 -0.03 0.36 6.14 -1.26 -1.61 117.35 123.23 3lml s TYR 446 Ca 0.19 0.49 0.02 0.00 0.64 0.00 0.00 57.07 58.42 3lml s TYR 446 Cb -0.12 -2.40 0.01 0.00 0.42 0.00 0.00 41.96 39.87 3lml s TYR 446 CO 0.10 0.08 -0.08 -0.06 0.64 0.00 0.00 175.55 176.22 3lml s PHE 447 N 1.02 0.93 -0.11 4.97 0.40 0.52 -5.00 117.98 120.70 3lml s PHE 447 Ca 0.15 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3lml s PHE 447 Cb -0.14 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.74 3lml s PHE 447 CO 0.06 -0.12 -0.03 -0.08 0.70 0.00 0.00 175.22 175.75 3lml s THR 448 N 0.29 0.73 -0.07 0.64 -1.32 -1.26 -0.03 115.64 114.62 3lml s THR 448 Ca -0.05 -0.19 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 3lml s THR 448 Cb -0.09 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 3lml s THR 448 CO 0.01 0.24 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.60 3lml s THR 449 N 1.82 2.76 -0.13 5.08 2.01 0.15 -4.95 115.64 122.39 3lml s THR 449 Ca 0.04 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 3lml s THR 449 Cb -0.13 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 3lml s THR 449 CO -0.07 0.57 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.65 3lml s GLU 450 N -0.30 3.35 -0.13 4.92 2.12 -1.26 -0.33 118.70 127.07 3lml s GLU 450 Ca 0.02 -0.58 0.02 0.00 0.36 0.00 0.00 54.97 54.79 3lml s GLU 450 Cb -0.13 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.53 3lml s GLU 450 CO 0.03 0.34 -0.19 0.08 -0.54 0.00 0.00 175.26 174.97 3lml s VAL 451 N 0.07 1.84 -0.22 3.70 1.01 0.98 -4.99 120.40 122.79 3lml s VAL 451 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 3lml s VAL 451 Cb -0.14 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3lml s VAL 451 CO 0.03 0.51 0.20 -0.54 0.00 0.00 0.00 175.10 175.30 3lml s LYS 452 N 0.89 4.12 0.56 2.72 1.02 -1.26 -0.13 119.74 127.66 3lml s LYS 452 Ca -0.07 -0.17 0.35 0.00 0.02 0.00 0.00 55.97 56.11 3lml s LYS 452 Cb -0.15 -3.51 1.48 0.00 -0.52 0.00 0.00 37.83 35.13 3lml s LYS 452 CO -0.02 0.10 1.75 -0.07 -0.92 0.00 0.00 175.35 176.19 3lml h LEU 453 N 7.32 0.00 -6.91 3.17 3.38 -1.84 -3.33 115.31 117.09 3lml h LEU 453 Ca -0.38 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.04 3lml h LEU 453 Cb 1.16 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.51 3lml h LEU 453 CO 0.69 0.00 -0.77 -1.61 0.09 0.00 0.00 178.44 176.84 3lml s GLU 454 N -4.82 0.37 0.00 1.13 2.02 -1.26 -4.95 118.70 111.19 3lml s GLU 454 Ca -0.05 -0.72 0.17 0.00 0.02 0.00 0.00 54.97 54.40 3lml s GLU 454 Cb 0.21 -1.44 0.14 0.00 0.10 0.00 0.00 34.13 33.13 3lml s GLU 454 CO 0.72 -1.01 1.05 -2.39 0.02 0.00 0.00 175.26 173.65