#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkj h LYS 40 N 0.00 0.28 -0.47 0.54 -0.00 -2.07 -2.27 116.57 112.58 2rkj h LYS 40 Ca 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.63 2rkj h LYS 40 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 32.23 32.15 2rkj h LYS 40 CO 0.00 0.35 0.27 -0.92 -0.00 0.00 0.00 179.45 179.14 2rkj h TYR 41 N 0.27 0.49 0.00 0.07 3.20 -2.06 -0.72 116.97 118.22 2rkj h TYR 41 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2rkj h TYR 41 Cb 0.26 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2rkj h TYR 41 CO 0.00 0.27 -0.10 1.15 -1.64 0.00 0.00 178.16 177.85 2rkj h THR 42 N 0.53 0.54 -0.17 1.81 2.02 -1.86 -2.86 112.91 112.92 2rkj h THR 42 Ca 0.19 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2rkj h THR 42 Cb 0.05 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2rkj h THR 42 CO -0.10 0.10 0.09 0.00 0.37 0.00 0.00 175.52 175.98 2rkj h ALA 43 N 1.90 0.22 -0.41 6.16 0.00 -0.90 -2.54 119.26 123.69 2rkj h ALA 43 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2rkj h ALA 43 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2rkj h ALA 43 CO 0.01 -0.25 -0.29 0.87 0.00 0.00 0.00 179.25 179.59 2rkj h LYS 44 N 0.18 0.89 -0.27 0.00 1.57 -1.40 -2.60 116.57 114.94 2rkj h LYS 44 Ca 0.06 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2rkj h LYS 44 Cb 0.07 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 2rkj h LYS 44 CO -0.01 1.06 -0.44 0.82 -0.57 0.00 0.00 179.45 180.31 2rkj h ILE 45 N 0.75 0.11 -0.04 1.86 1.08 -1.35 0.23 117.51 120.15 2rkj h ILE 45 Ca 0.08 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.49 2rkj h ILE 45 Cb 0.85 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 2rkj h ILE 45 CO 0.08 0.00 -0.28 0.78 -0.69 0.00 0.00 178.15 178.04 2rkj h ASN 46 N -0.42 0.07 -0.64 1.72 2.35 -1.46 -1.93 115.58 115.27 2rkj h ASN 46 Ca 0.10 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2rkj h ASN 46 Cb 0.61 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.93 2rkj h ASN 46 CO -0.49 0.35 0.37 -0.08 -1.65 0.00 0.00 177.43 175.94 2rkj h GLU 47 N 0.06 0.88 -0.89 0.81 4.81 -0.67 -2.20 114.58 117.38 2rkj h GLU 47 Ca 0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2rkj h GLU 47 Cb 0.53 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 2rkj h GLU 47 CO 0.04 0.65 0.56 0.00 -0.73 0.00 0.00 179.01 179.53 2rkj h ALA 48 N 1.19 1.13 -0.35 2.92 0.00 0.14 -2.78 119.26 121.51 2rkj h ALA 48 Ca 0.23 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2rkj h ALA 48 Cb 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 17.79 17.35 2rkj h ALA 48 CO -0.04 0.57 -0.25 1.49 0.00 0.00 0.00 179.25 181.02 2rkj h GLU 49 N 1.22 -0.20 -0.02 0.00 4.57 -1.03 -1.01 114.58 118.11 2rkj h GLU 49 Ca 0.32 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 2rkj h GLU 49 Cb -0.09 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2rkj h GLU 49 CO -0.06 -0.13 -0.22 0.93 -1.18 0.00 0.00 179.01 178.34 2rkj h GLU 50 N -0.20 -0.33 -0.52 1.92 5.08 -1.37 -2.22 114.58 116.94 2rkj h GLU 50 Ca 0.17 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 2rkj h GLU 50 Cb 0.47 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.70 2rkj h GLU 50 CO -0.47 -0.22 -0.38 -0.91 -1.00 0.00 0.00 179.01 176.03 2rkj h ASN 51 N -0.34 -1.31 0.00 1.42 -0.26 -1.16 0.88 115.58 114.80 2rkj h ASN 51 Ca 0.07 0.23 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2rkj h ASN 51 Cb 0.43 0.61 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2rkj h ASN 51 CO -0.22 -0.33 0.10 1.87 -1.06 0.00 0.00 177.43 177.79 2rkj n TRP 52 N -5.42 0.66 0.02 1.19 -0.00 -0.45 -0.74 117.44 112.70 2rkj n TRP 52 Ca 0.02 0.34 -0.18 0.00 -0.00 0.00 0.00 57.50 57.68 2rkj n TRP 52 Cb 0.35 -0.98 -0.14 0.00 -0.00 0.00 0.00 31.31 30.54 2rkj n TRP 52 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 2rkj h GLN 53 N 0.00 0.22 -0.24 5.87 1.08 0.13 -0.65 115.11 121.53 2rkj h GLN 53 Ca 0.00 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 2rkj h GLN 53 Cb 0.20 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2rkj h GLN 53 CO 0.00 1.06 0.16 0.00 -0.95 0.00 0.00 178.83 179.10 2rkj h ALA 54 N 0.37 1.84 0.27 3.87 0.00 -0.03 0.41 119.26 125.99 2rkj h ALA 54 Ca -0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2rkj h ALA 54 Cb 2.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2rkj h ALA 54 CO 0.12 0.14 -0.13 -0.09 0.00 0.00 0.00 179.25 179.29 2rkj h ARG 55 N 0.32 -0.35 -0.39 0.00 2.43 -1.47 -2.22 114.38 112.69 2rkj h ARG 55 Ca 0.09 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.40 2rkj h ARG 55 Cb -0.02 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2rkj h ARG 55 CO -0.02 -0.01 0.49 0.00 -1.51 0.00 0.00 179.97 178.92 2rkj h ALA 56 N -0.50 2.07 0.21 2.80 0.00 -0.54 -1.88 119.26 121.42 2rkj h ALA 56 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2rkj h ALA 56 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2rkj h ALA 56 CO 0.06 -0.69 -0.10 1.49 0.00 0.00 0.00 179.25 180.01 2rkj h GLU 57 N 0.00 -0.27 -0.98 0.00 4.57 -0.81 -2.52 114.58 114.57 2rkj h GLU 57 Ca 0.19 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.56 2rkj h GLU 57 Cb 1.17 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.65 2rkj h GLU 57 CO -0.00 -0.18 -0.31 0.00 -1.18 0.00 0.00 179.01 177.33 2rkj h ALA 58 N -1.38 0.41 -0.76 2.92 0.00 -0.72 1.41 119.26 121.13 2rkj h ALA 58 Ca -0.03 0.33 0.05 0.00 0.00 0.00 0.00 54.91 55.26 2rkj h ALA 58 Cb 0.22 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2rkj h ALA 58 CO 0.05 -0.50 0.50 0.82 0.00 0.00 0.00 179.25 180.12 2rkj h ILE 59 N -0.00 1.07 -0.74 0.00 2.04 -1.50 1.58 117.51 119.94 2rkj h ILE 59 Ca 0.41 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2rkj h ILE 59 Cb 0.66 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2rkj h ILE 59 CO -1.00 0.16 0.49 0.50 0.00 0.00 0.00 178.15 178.30 2rkj h LYS 60 N 0.87 0.84 -0.50 2.37 3.64 0.24 -1.32 116.57 122.70 2rkj h LYS 60 Ca 0.32 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.39 2rkj h LYS 60 Cb 0.16 -0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 31.64 2rkj h LYS 60 CO -0.10 0.56 0.08 1.63 -2.27 0.00 0.00 179.45 179.35 2rkj n LYS 61 N -4.46 1.95 -2.02 1.90 4.01 -0.58 -4.93 118.16 114.02 2rkj n LYS 61 Ca 0.10 -3.15 -0.08 0.00 -0.51 0.00 0.00 58.31 54.66 2rkj n LYS 61 Cb 0.16 -1.90 -0.02 0.00 -0.51 0.00 0.00 35.03 32.76 2rkj n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2rkj n GLY 62 N -1.12 -0.03 0.18 0.72 0.00 -0.29 -4.79 105.19 99.85 2rkj n GLY 62 Ca 0.39 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.44 2rkj n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rkj h LYS 63 N 0.00 0.00 -3.37 1.61 1.57 0.20 -3.43 116.57 113.14 2rkj h LYS 63 Ca -0.19 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.38 2rkj h LYS 63 Cb 0.93 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.97 2rkj h LYS 63 CO 0.24 0.43 -0.57 0.21 -0.57 0.00 0.00 179.45 179.19 2rkj s LYS 64 N -3.89 0.14 0.60 3.15 2.47 -1.22 -4.93 119.74 116.06 2rkj s LYS 64 Ca -0.02 0.23 -0.19 0.00 -1.56 0.00 0.00 55.97 54.43 2rkj s LYS 64 Cb 0.13 0.01 -0.03 0.00 -1.46 0.00 0.00 37.83 36.48 2rkj s LYS 64 CO 0.72 -0.05 1.22 0.94 0.16 0.00 0.00 175.35 178.33 2rkj n GLN 65 N 3.30 1.23 -2.82 4.03 7.27 -1.26 -3.82 117.38 125.32 2rkj n GLN 65 Ca -0.16 0.47 -0.42 0.00 0.07 0.00 0.00 57.00 56.96 2rkj n GLN 65 Cb 0.57 -2.44 -0.03 0.00 2.41 0.00 0.00 30.24 30.75 2rkj n GLN 65 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2rkj s ASN 66 N -1.19 7.09 0.37 1.69 3.04 -1.26 -4.90 114.94 119.79 2rkj s ASN 66 Ca 0.77 1.34 0.27 0.00 0.04 0.00 0.00 52.86 55.28 2rkj s ASN 66 Cb -0.41 -2.49 1.28 0.00 -1.54 0.00 0.00 41.25 38.09 2rkj s ASN 66 CO 0.45 -0.38 1.36 0.41 -3.04 0.00 0.00 177.10 175.89 2rkj n THR 67 N 4.52 -0.24 -0.01 -5.21 -1.04 -1.26 0.21 114.28 111.25 2rkj n THR 67 Ca 0.06 1.59 -0.13 0.00 -2.04 0.00 0.00 64.05 63.53 2rkj n THR 67 Cb 0.49 -2.60 -0.09 0.00 -1.82 0.00 0.00 70.33 66.31 2rkj n THR 67 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2rkj h TRP 68 N 0.00 0.06 0.00 -1.42 2.91 -1.90 -1.87 115.95 113.73 2rkj h TRP 68 Ca 0.76 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.77 2rkj h TRP 68 Cb 2.40 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 31.04 2rkj h TRP 68 CO -0.01 0.42 0.00 -3.47 -1.03 0.00 0.00 178.44 174.36 2rkj n ASP 69 N -4.86 0.00 0.13 2.65 -0.08 0.55 -0.41 116.55 114.53 2rkj n ASP 69 Ca -0.08 0.08 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 2rkj n ASP 69 Cb 0.21 -0.27 -0.15 0.00 2.34 0.00 0.00 41.12 43.26 2rkj n ASP 69 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2rkj h LEU 70 N 0.00 0.70 -1.42 -2.67 6.46 -0.13 -2.48 115.31 115.77 2rkj h LEU 70 Ca 0.00 -0.78 -0.06 0.00 -0.12 0.00 0.00 57.88 56.92 2rkj h LEU 70 Cb 0.10 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2rkj h LEU 70 CO 0.00 1.61 -0.29 -0.26 -0.62 0.00 0.00 178.44 178.88 2rkj h PHE 71 N 0.12 0.00 0.00 1.25 0.05 -0.30 -1.37 116.94 116.69 2rkj h PHE 71 Ca -0.23 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.47 2rkj h PHE 71 Cb 2.11 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 40.05 2rkj h PHE 71 CO 0.11 0.29 -0.52 0.93 -0.18 0.00 0.00 178.31 178.93 2rkj h GLU 72 N 0.00 0.00 -0.00 1.51 4.39 -1.46 0.14 114.58 119.16 2rkj h GLU 72 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rkj h GLU 72 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2rkj h GLU 72 CO 0.04 0.39 -0.09 -1.91 -1.16 0.00 0.00 179.01 176.27 2rkj n GLU 73 N -3.16 0.44 0.00 2.33 2.13 -0.54 -3.50 120.64 118.34 2rkj n GLU 73 Ca 0.01 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2rkj n GLU 73 Cb 0.71 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.92 2rkj n GLU 73 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2rkj n ARG 74 N -1.19 3.08 -1.98 5.31 1.74 -1.06 -5.02 116.66 117.54 2rkj n ARG 74 Ca 0.12 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2rkj n ARG 74 Cb 0.28 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2rkj n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rkj n GLY 75 N 0.48 0.93 1.12 -0.13 0.00 -0.95 -4.12 105.19 102.51 2rkj n GLY 75 Ca 0.00 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.50 2rkj n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rkj n TYR 76 N -2.21 0.97 -4.01 1.61 4.01 0.46 -4.57 117.16 113.41 2rkj n TYR 76 Ca 0.00 -0.38 -0.33 0.00 -0.16 0.00 0.00 57.90 57.03 2rkj n TYR 76 Cb 0.41 -0.18 -0.15 0.00 -0.31 0.00 0.00 39.34 39.12 2rkj n TYR 76 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2rkj s VAL 77 N -1.73 2.43 -0.16 -0.72 1.01 -1.26 -3.92 120.40 116.05 2rkj s VAL 77 Ca 0.33 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 2rkj s VAL 77 Cb 0.21 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2rkj s VAL 77 CO 0.16 -0.15 -0.26 1.17 0.00 0.00 0.00 175.10 176.01 2rkj n LYS 78 N 4.46 0.48 -4.37 2.72 4.81 0.15 -4.76 118.16 121.65 2rkj n LYS 78 Ca -0.11 0.34 -0.18 0.00 -0.87 0.00 0.00 58.31 57.49 2rkj n LYS 78 Cb 0.42 -1.51 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 2rkj n LYS 78 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2rkj s ASP 79 N -5.75 1.78 -0.07 3.14 1.11 -1.12 -5.00 116.67 110.75 2rkj s ASP 79 Ca -0.22 -1.35 -0.03 0.00 0.18 0.00 0.00 52.55 51.13 2rkj s ASP 79 Cb 0.03 0.04 0.04 0.00 1.07 0.00 0.00 42.92 44.10 2rkj s ASP 79 CO 0.32 -0.64 0.17 0.42 1.18 0.00 0.00 175.17 176.62 2rkj s THR 80 N -3.51 -0.07 -1.00 -1.27 -4.23 -1.26 -2.59 115.64 101.71 2rkj s THR 80 Ca 0.35 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 61.00 2rkj s THR 80 Cb 0.08 -0.27 0.25 0.00 1.34 0.00 0.00 72.50 73.89 2rkj s THR 80 CO 0.13 0.08 0.94 0.00 -0.54 0.00 0.00 174.62 175.23 2rkj s ALA 81 N 1.28 4.50 0.00 3.99 0.00 -1.02 -4.82 121.76 125.69 2rkj s ALA 81 Ca -0.08 -3.85 0.00 0.00 0.00 0.00 0.00 51.96 48.03 2rkj s ALA 81 Cb -0.11 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2rkj s ALA 81 CO -0.06 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 173.93 2rkj n GLY 82 N 2.50 3.54 1.24 0.00 0.00 -1.26 -2.30 105.19 108.90 2rkj n GLY 82 Ca 0.23 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2rkj n GLY 82 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rkj n THR 83 N 0.00 0.00 -0.28 2.61 -2.24 -1.26 -4.58 114.28 108.53 2rkj n THR 83 Ca 0.00 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.96 2rkj n THR 83 Cb 0.00 -0.19 0.34 0.00 -2.10 0.00 0.00 70.33 68.38 2rkj n THR 83 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rkj n LYS 84 N 2.90 -0.06 0.30 -0.78 4.01 -1.26 0.18 118.16 123.45 2rkj n LYS 84 Ca 0.22 1.20 -0.12 0.00 -0.51 0.00 0.00 58.31 59.09 2rkj n LYS 84 Cb -0.01 -1.99 -0.06 0.00 -0.51 0.00 0.00 35.03 32.46 2rkj n LYS 84 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2rkj h GLU 85 N 0.00 -0.76 -0.87 1.97 3.07 -2.01 -3.02 114.58 112.96 2rkj h GLU 85 Ca 0.58 0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.57 2rkj h GLU 85 Cb 1.35 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 29.31 2rkj h GLU 85 CO -0.72 -0.51 -0.57 1.25 -1.40 0.00 0.00 179.01 177.07 2rkj h HIS 86 N -1.04 -1.79 -0.96 4.33 6.17 -0.58 0.42 115.15 121.69 2rkj h HIS 86 Ca -0.08 0.12 0.20 0.00 0.71 0.00 0.00 60.37 61.32 2rkj h HIS 86 Cb 0.61 0.90 -0.18 0.00 2.52 0.00 0.00 27.41 31.25 2rkj h HIS 86 CO 0.03 -0.40 -0.20 -0.89 0.71 0.00 0.00 177.93 177.18 2rkj n ILE 87 N -5.29 -0.40 0.09 6.26 5.41 0.20 -0.12 119.36 125.51 2rkj n ILE 87 Ca 0.01 2.18 -0.15 0.00 1.00 0.00 0.00 62.75 65.80 2rkj n ILE 87 Cb 0.29 -3.04 -0.08 0.00 -0.71 0.00 0.00 39.64 36.09 2rkj n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rkj h ALA 88 N 1.92 -0.81 -0.15 -1.39 0.00 -0.04 -1.89 119.26 116.90 2rkj h ALA 88 Ca 0.48 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2rkj h ALA 88 Cb 0.77 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2rkj h ALA 88 CO -0.97 -1.03 -0.13 1.49 0.00 0.00 0.00 179.25 178.61 2rkj h GLU 89 N -0.66 -0.14 -1.27 0.00 4.57 -0.10 0.13 114.58 117.11 2rkj h GLU 89 Ca 0.02 0.01 0.37 0.00 -1.18 0.00 0.00 59.36 58.58 2rkj h GLU 89 Cb 0.70 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.26 2rkj h GLU 89 CO -0.29 -0.09 0.89 1.25 -1.18 0.00 0.00 179.01 179.59 2rkj h LEU 90 N -0.14 0.07 0.04 1.64 5.85 -0.59 0.24 115.31 122.42 2rkj h LEU 90 Ca 0.10 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 2rkj h LEU 90 Cb 0.28 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2rkj h LEU 90 CO -0.23 0.00 -0.78 0.24 -0.34 0.00 0.00 178.44 177.32 2rkj h MET 91 N 0.06 0.08 -0.52 1.25 2.86 -0.03 -2.87 114.93 115.76 2rkj h MET 91 Ca 0.63 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 58.19 2rkj h MET 91 Cb 2.36 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 34.01 2rkj h MET 91 CO -0.07 1.07 0.22 -0.09 1.06 0.00 0.00 176.91 179.10 2rkj h ARG 92 N -0.79 0.41 0.00 1.72 2.43 -0.44 -3.38 114.38 114.33 2rkj h ARG 92 Ca -0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2rkj h ARG 92 Cb 1.32 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2rkj h ARG 92 CO -0.04 0.27 0.00 0.25 -1.51 0.00 0.00 179.97 178.94 2rkj n THR 93 N -4.95 0.00 -1.51 0.20 -2.24 0.01 -4.11 114.28 101.68 2rkj n THR 93 Ca 0.05 0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.94 2rkj n THR 93 Cb 0.19 -1.14 0.08 0.00 -2.10 0.00 0.00 70.33 67.36 2rkj n THR 93 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2rkj s ARG 94 N -0.09 2.39 -0.83 -0.78 0.52 -1.08 -4.83 118.95 114.25 2rkj s ARG 94 Ca 0.00 0.83 -0.04 0.00 -0.52 0.00 0.00 55.73 56.00 2rkj s ARG 94 Cb 0.00 -1.94 0.15 0.00 0.52 0.00 0.00 34.95 33.68 2rkj s ARG 94 CO 0.00 -1.45 2.45 -2.13 0.02 0.00 0.00 175.30 174.19 2rkj n ARG 95 N -3.35 3.44 -0.54 3.54 0.63 -1.26 -4.64 116.66 114.48 2rkj n ARG 95 Ca 0.07 -3.10 -0.29 0.00 -0.92 0.00 0.00 57.85 53.61 2rkj n ARG 95 Cb 0.55 -2.34 0.21 0.00 0.45 0.00 0.00 32.46 31.32 2rkj n ARG 95 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2rkj n ILE 96 N 0.81 0.00 -4.29 5.15 -5.35 -1.26 -4.48 119.36 109.95 2rkj n ILE 96 Ca 0.53 -0.26 -0.15 0.00 -0.27 0.00 0.00 62.75 62.60 2rkj n ILE 96 Cb 0.38 -0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 37.46 2rkj n ILE 96 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2rkj s GLY 97 N -2.14 1.32 0.36 3.28 0.00 -1.24 -2.39 107.32 106.52 2rkj s GLY 97 Ca 0.57 -1.64 -0.09 0.00 0.00 0.00 0.00 44.72 43.56 2rkj s GLY 97 CO 0.59 -1.62 0.63 0.00 0.00 0.00 0.00 173.10 172.71 2rkj s ALA 98 N -3.43 0.00 0.26 3.20 0.00 -0.08 -1.52 121.76 120.19 2rkj s ALA 98 Ca 0.23 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 2rkj s ALA 98 Cb 0.05 0.92 0.02 0.00 0.00 0.00 0.00 23.12 24.11 2rkj s ALA 98 CO 0.05 -0.89 0.67 1.52 0.00 0.00 0.00 175.76 177.11 2rkj s TYR 99 N -2.70 -0.18 -0.04 0.00 -0.85 -1.09 -1.54 117.35 110.95 2rkj s TYR 99 Ca 0.23 -0.23 -0.01 0.00 -0.52 0.00 0.00 57.07 56.53 2rkj s TYR 99 Cb -0.03 0.63 0.03 0.00 0.38 0.00 0.00 41.96 42.97 2rkj s TYR 99 CO 0.16 -1.15 0.04 0.08 -1.52 0.00 0.00 175.55 173.15 2rkj s VAL 100 N -3.90 0.03 0.08 -3.49 1.01 -0.68 -1.94 120.40 111.50 2rkj s VAL 100 Ca 0.11 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 2rkj s VAL 100 Cb -0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.02 2rkj s VAL 100 CO 0.04 0.19 0.58 -0.83 0.00 0.00 0.00 175.10 175.07 2rkj s GLY 101 N 1.93 2.68 -0.15 4.51 0.00 -1.26 -1.44 107.32 113.58 2rkj s GLY 101 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 2rkj s GLY 101 CO -0.03 0.47 -0.02 -0.42 0.00 0.00 0.00 173.10 173.09 2rkj s ILE 102 N -1.12 0.85 -0.40 0.90 1.01 -0.05 -4.96 121.20 117.44 2rkj s ILE 102 Ca 0.29 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.19 2rkj s ILE 102 Cb -0.20 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 2rkj s ILE 102 CO 0.19 0.09 1.87 -1.81 0.00 0.00 0.00 174.94 175.28 2rkj s ASP 103 N 1.74 5.63 -0.29 3.58 1.01 -1.26 -1.55 116.67 125.53 2rkj s ASP 103 Ca 0.01 1.09 -0.04 0.00 0.71 0.00 0.00 52.55 54.32 2rkj s ASP 103 Cb -0.15 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.15 2rkj s ASP 103 CO -0.07 -1.95 2.08 -0.81 0.21 0.00 0.00 175.17 174.63 2rkj n PRO 104 N 8.65 1.34 0.09 8.23 -0.04 -1.26 -4.25 135.00 147.75 2rkj n PRO 104 Ca 0.23 -0.82 -0.23 0.00 -0.04 0.00 0.00 63.50 62.65 2rkj n PRO 104 Cb 0.48 -1.99 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 2rkj n PRO 104 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2rkj h THR 105 N 2.83 1.06 -3.25 0.52 1.35 -1.94 -3.35 112.91 110.12 2rkj h THR 105 Ca 0.22 -2.55 -0.52 0.00 -0.55 0.00 0.00 66.41 63.01 2rkj h THR 105 Cb 0.56 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 2rkj h THR 105 CO 0.73 0.83 -0.12 0.00 -0.25 0.00 0.00 175.52 176.71 2rkj s ALA 106 N -2.57 3.60 -0.45 6.62 0.00 -1.26 -4.97 121.76 122.73 2rkj s ALA 106 Ca -0.14 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2rkj s ALA 106 Cb 0.05 -2.34 0.28 0.00 0.00 0.00 0.00 23.12 21.11 2rkj s ALA 106 CO 0.87 0.24 1.15 -0.35 0.00 0.00 0.00 175.76 177.67 2rkj n PRO 107 N -0.92 1.96 0.00 0.00 -0.04 -1.26 -4.73 135.00 130.02 2rkj n PRO 107 Ca -0.01 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 2rkj n PRO 107 Cb 0.54 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2rkj n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rkj n SER 108 N 0.07 0.00 -4.87 3.54 2.88 -1.26 -4.66 113.62 109.32 2rkj n SER 108 Ca 0.16 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.39 2rkj n SER 108 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 2rkj n SER 108 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2rkj s LEU 109 N 0.00 3.34 0.38 2.46 1.02 -1.26 -4.88 118.68 119.74 2rkj s LEU 109 Ca 0.00 1.37 0.08 0.00 0.02 0.00 0.00 54.13 55.60 2rkj s LEU 109 Cb 0.00 -4.39 -0.07 0.00 0.02 0.00 0.00 46.19 41.75 2rkj s LEU 109 CO 0.00 -0.79 -0.02 -1.38 0.02 0.00 0.00 176.35 174.18 2rkj s HIS 110 N -3.04 2.42 0.34 0.29 -3.43 -1.26 -2.41 115.29 108.21 2rkj s HIS 110 Ca 0.54 -0.64 0.15 0.00 -0.80 0.00 0.00 55.06 54.32 2rkj s HIS 110 Cb -0.11 -1.59 1.13 0.00 -1.43 0.00 0.00 32.58 30.57 2rkj s HIS 110 CO 0.50 0.46 1.64 -0.39 -2.00 0.00 0.00 174.74 174.94 2rkj h VAL 111 N 1.89 0.21 0.00 -5.38 -1.51 -1.80 -1.52 116.25 108.14 2rkj h VAL 111 Ca -0.43 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2rkj h VAL 111 Cb 1.24 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2rkj h VAL 111 CO 0.76 0.04 0.64 1.23 -1.23 0.00 0.00 177.57 179.01 2rkj h GLY 112 N 0.22 0.00 0.99 5.19 0.00 -1.87 0.80 103.07 108.39 2rkj h GLY 112 Ca 0.75 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.95 2rkj h GLY 112 CO -0.66 0.00 -1.33 1.42 0.00 0.00 0.00 176.54 175.96 2rkj n HIS 113 N -2.69 0.98 0.25 5.60 -0.00 -0.57 -4.03 115.22 114.77 2rkj n HIS 113 Ca -0.01 0.32 0.10 0.00 -0.00 0.00 0.00 57.72 58.13 2rkj n HIS 113 Cb 0.66 -1.06 0.68 0.00 -0.00 0.00 0.00 29.99 30.26 2rkj n HIS 113 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2rkj h LEU 114 N 0.00 0.00 0.59 2.41 3.38 0.50 -3.09 115.31 119.10 2rkj h LEU 114 Ca -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2rkj h LEU 114 Cb 1.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.22 2rkj h LEU 114 CO 0.04 0.12 -0.28 0.25 0.09 0.00 0.00 178.44 178.65 2rkj h LEU 115 N 0.00 -0.67 -1.65 1.67 5.85 -1.70 -2.83 115.31 115.98 2rkj h LEU 115 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2rkj h LEU 115 Cb 0.26 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2rkj h LEU 115 CO 0.02 -0.48 0.00 1.55 -0.34 0.00 0.00 178.44 179.19 2rkj h PRO 116 N -0.80 0.00 0.00 5.25 0.13 -1.81 -2.25 132.00 132.51 2rkj h PRO 116 Ca -0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.98 2rkj h PRO 116 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2rkj h PRO 116 CO 0.13 0.00 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.32 2rkj h LEU 117 N 0.00 0.00 0.80 1.56 3.38 -1.45 -3.33 115.31 116.27 2rkj h LEU 117 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2rkj h LEU 117 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2rkj h LEU 117 CO 0.00 0.32 -0.43 0.24 0.09 0.00 0.00 178.44 178.66 2rkj h MET 118 N 0.00 -1.09 -0.59 1.13 2.86 -1.15 -0.14 114.93 115.95 2rkj h MET 118 Ca -0.02 0.07 0.17 0.00 -2.06 0.00 0.00 59.70 57.86 2rkj h MET 118 Cb 1.26 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 2rkj h MET 118 CO 0.04 -0.73 0.44 -1.00 1.06 0.00 0.00 176.91 176.72 2rkj h PRO 119 N -1.13 0.00 0.82 -0.22 0.13 -1.71 0.17 132.00 130.06 2rkj h PRO 119 Ca -0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2rkj h PRO 119 Cb 0.88 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.02 2rkj h PRO 119 CO 0.15 0.00 -0.40 1.25 -0.23 0.00 0.00 178.00 178.77 2rkj h LEU 120 N 0.00 -0.94 -0.75 1.56 5.85 -1.58 -1.46 115.31 118.00 2rkj h LEU 120 Ca 0.28 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.14 2rkj h LEU 120 Cb 1.15 0.24 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 2rkj h LEU 120 CO -0.00 -0.58 -0.41 -0.26 -0.34 0.00 0.00 178.44 176.84 2rkj h PHE 121 N -1.28 -1.20 -0.37 1.25 0.05 0.10 0.36 116.94 115.86 2rkj h PHE 121 Ca -0.11 0.09 0.08 0.00 3.82 0.00 0.00 57.97 61.85 2rkj h PHE 121 Cb 0.85 0.63 -0.08 0.00 2.00 0.00 0.00 35.95 39.35 2rkj h PHE 121 CO -0.00 -0.40 -0.20 -1.49 -0.18 0.00 0.00 178.31 176.03 2rkj h TRP 122 N -0.12 -0.52 -0.94 -0.55 4.06 -0.72 0.44 115.95 117.60 2rkj h TRP 122 Ca 0.24 0.04 0.21 0.00 2.06 0.00 0.00 58.89 61.45 2rkj h TRP 122 Cb 0.56 0.29 -0.08 0.00 -1.00 0.00 0.00 29.16 28.93 2rkj h TRP 122 CO -0.77 -0.28 0.62 0.52 -3.56 0.00 0.00 178.44 174.96 2rkj h MET 123 N -0.14 0.44 -0.53 0.49 2.86 0.75 0.36 114.93 119.17 2rkj h MET 123 Ca 0.18 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2rkj h MET 123 Cb 0.43 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2rkj h MET 123 CO -0.46 0.29 -0.13 -0.92 1.06 0.00 0.00 176.91 176.75 2rkj h TYR 124 N 0.46 1.13 0.00 -0.22 3.20 0.16 -2.31 116.97 119.39 2rkj h TYR 124 Ca 0.51 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2rkj h TYR 124 Cb 1.19 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.19 2rkj h TYR 124 CO -0.00 1.06 0.00 -0.07 -1.64 0.00 0.00 178.16 177.51 2rkj h LEU 125 N 0.89 0.00 0.00 2.82 3.38 0.24 -2.38 115.31 120.26 2rkj h LEU 125 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2rkj h LEU 125 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2rkj h LEU 125 CO 0.05 0.00 -1.08 -0.62 0.09 0.00 0.00 178.44 176.88 2rkj n GLU 126 N -2.76 0.60 0.00 1.13 -0.58 -0.73 -4.91 120.64 113.39 2rkj n GLU 126 Ca -0.00 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2rkj n GLU 126 Cb 0.20 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 2rkj n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rkj n GLY 127 N 1.19 1.00 0.00 0.62 0.00 -0.89 -5.06 105.19 102.05 2rkj n GLY 127 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2rkj n GLY 127 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rkj n TYR 128 N -0.40 -1.37 -3.93 1.61 4.02 -1.00 -3.90 117.16 112.19 2rkj n TYR 128 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 2rkj n TYR 128 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 2rkj n TYR 128 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2rkj s LYS 129 N -1.09 1.30 0.11 -0.72 1.02 -1.01 -1.66 119.74 117.70 2rkj s LYS 129 Ca 0.00 -1.52 0.07 0.00 0.02 0.00 0.00 55.97 54.54 2rkj s LYS 129 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2rkj s LYS 129 CO 0.00 -0.90 -0.08 0.00 -0.92 0.00 0.00 175.35 173.45 2rkj s ALA 130 N 1.17 3.02 0.08 5.17 0.00 0.15 -0.91 121.76 130.44 2rkj s ALA 130 Ca 0.08 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.71 2rkj s ALA 130 Cb -0.19 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 2rkj s ALA 130 CO -0.13 0.64 0.18 -0.06 0.00 0.00 0.00 175.76 176.39 2rkj s PHE 131 N -1.27 0.15 -0.31 0.00 2.99 -0.59 -2.58 117.98 116.36 2rkj s PHE 131 Ca 0.22 -0.55 0.03 0.00 0.00 0.00 0.00 56.93 56.63 2rkj s PHE 131 Cb -0.11 -0.06 0.09 0.00 0.00 0.00 0.00 43.02 42.93 2rkj s PHE 131 CO 0.15 -0.52 0.02 0.95 -0.00 0.00 0.00 175.22 175.81 2rkj s THR 132 N -3.68 2.04 -0.16 0.64 -4.23 -0.85 -1.68 115.64 107.72 2rkj s THR 132 Ca 0.04 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.25 2rkj s THR 132 Cb 0.04 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 2rkj s THR 132 CO -0.10 -0.46 0.94 -0.22 -0.54 0.00 0.00 174.62 174.24 2rkj s LEU 133 N 1.06 4.19 0.00 4.79 2.96 -0.52 -2.03 118.68 129.13 2rkj s LEU 133 Ca 0.06 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.16 2rkj s LEU 133 Cb -0.19 -3.42 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 2rkj s LEU 133 CO -0.09 -0.47 0.46 -0.63 -1.32 0.00 0.00 176.35 174.29 2rkj s ILE 134 N 2.30 4.98 -0.23 6.68 1.01 0.71 -0.87 121.20 135.79 2rkj s ILE 134 Ca 0.43 0.95 0.02 0.00 0.00 0.00 0.00 60.65 62.05 2rkj s ILE 134 Cb -0.17 -3.77 0.32 0.00 0.01 0.00 0.00 42.46 38.85 2rkj s ILE 134 CO 0.13 0.54 1.50 0.61 0.00 0.00 0.00 174.94 177.72 2rkj n GLY 135 N 2.01 3.31 0.23 6.18 0.00 -0.59 -0.48 105.19 115.85 2rkj n GLY 135 Ca -0.12 -0.59 0.19 0.00 0.00 0.00 0.00 46.02 45.50 2rkj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkj n GLY 136 N -0.26 -0.37 0.16 -0.02 0.00 -1.26 0.13 105.19 103.57 2rkj n GLY 136 Ca 0.30 0.30 -0.22 0.00 0.00 0.00 0.00 46.02 46.40 2rkj n GLY 136 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rkj n SER 137 N -3.22 1.97 -0.35 1.61 7.64 -1.26 -4.48 113.62 115.53 2rkj n SER 137 Ca 0.17 0.09 0.16 0.00 1.01 0.00 0.00 58.87 60.31 2rkj n SER 137 Cb 0.72 -0.57 0.37 0.00 -1.01 0.00 0.00 64.21 63.72 2rkj n SER 137 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2rkj h THR 138 N -0.46 0.59 -0.85 0.44 1.35 0.69 0.19 112.91 114.86 2rkj h THR 138 Ca -0.60 -0.22 0.21 0.00 -0.55 0.00 0.00 66.41 65.25 2rkj h THR 138 Cb 1.71 -0.10 -0.12 0.00 -1.73 0.00 0.00 68.15 67.91 2rkj h THR 138 CO -0.24 0.12 0.30 0.00 -0.25 0.00 0.00 175.52 175.45 2rkj h ALA 139 N 1.70 1.27 0.00 6.62 0.00 -1.22 0.79 119.26 128.41 2rkj h ALA 139 Ca 0.62 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.71 2rkj h ALA 139 Cb 1.14 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2rkj h ALA 139 CO -0.44 -0.36 0.34 0.87 0.00 0.00 0.00 179.25 179.66 2rkj h LYS 140 N 0.33 0.00 0.00 0.00 1.57 -0.86 -2.17 116.57 115.43 2rkj h LYS 140 Ca 0.52 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.25 2rkj h LYS 140 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2rkj h LYS 140 CO -0.55 0.00 -1.17 -0.89 -0.57 0.00 0.00 179.45 176.27 2rkj n ILE 141 N -2.21 0.17 0.00 1.86 2.08 0.12 -5.14 119.36 116.24 2rkj n ILE 141 Ca -0.01 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2rkj n ILE 141 Cb 0.36 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.89 2rkj n ILE 141 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2rkj n GLY 142 N 2.91 -2.24 3.58 7.39 0.00 0.23 -4.84 105.19 112.22 2rkj n GLY 142 Ca -0.06 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 2rkj n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rkj s ASP 143 N -1.88 5.26 -0.69 1.61 3.68 -1.26 -4.84 116.67 118.54 2rkj s ASP 143 Ca 0.00 1.35 -0.06 0.00 2.13 0.00 0.00 52.55 55.98 2rkj s ASP 143 Cb 0.00 -2.51 -0.10 0.00 -1.45 0.00 0.00 42.92 38.86 2rkj s ASP 143 CO 0.00 -2.20 2.36 -0.81 0.13 0.00 0.00 175.17 174.65 2rkj n PRO 144 N 8.80 2.02 -3.36 4.34 -0.04 -1.26 -4.75 135.00 140.75 2rkj n PRO 144 Ca 0.29 -1.27 -0.46 0.00 -0.04 0.00 0.00 63.50 62.02 2rkj n PRO 144 Cb 0.49 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 2rkj n PRO 144 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2rkj s THR 145 N 2.66 5.59 0.00 0.52 -1.32 -1.26 -4.54 115.64 117.30 2rkj s THR 145 Ca 0.45 -2.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.11 2rkj s THR 145 Cb 0.15 -4.43 0.00 0.00 -1.51 0.00 0.00 72.50 66.71 2rkj s THR 145 CO -0.03 -1.07 0.00 0.61 -2.21 0.00 0.00 174.62 171.93 2rkj n GLY 146 N 3.52 2.23 3.19 6.08 0.00 -1.26 -5.10 105.19 113.85 2rkj n GLY 146 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2rkj n GLY 146 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rkj n ASP 158 N 0.00 0.00 -0.20 1.61 5.75 -1.26 -4.38 116.55 118.07 2rkj n ASP 158 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 54.79 55.08 2rkj n ASP 158 Cb 0.00 -0.09 0.69 0.00 -1.03 0.00 0.00 41.12 40.68 2rkj n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rkj h ALA 159 N 0.00 2.84 0.31 2.12 0.00 -1.99 0.26 119.26 122.80 2rkj h ALA 159 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rkj h ALA 159 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2rkj h ALA 159 CO 0.00 -1.36 -0.33 1.15 0.00 0.00 0.00 179.25 178.71 2rkj h THR 160 N 0.00 0.31 -0.97 0.00 2.02 -1.96 -1.51 112.91 110.79 2rkj h THR 160 Ca 0.46 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.80 2rkj h THR 160 Cb 2.17 0.31 -0.16 0.00 -1.74 0.00 0.00 68.15 68.72 2rkj h THR 160 CO -0.00 0.00 -0.35 0.80 0.37 0.00 0.00 175.52 176.34 2rkj n MET 161 N -5.44 -0.19 0.00 6.66 0.00 0.91 0.25 117.12 119.30 2rkj n MET 161 Ca -0.09 1.51 0.00 0.00 0.00 0.00 0.00 57.70 59.11 2rkj n MET 161 Cb 0.35 -2.24 0.00 0.00 0.00 0.00 0.00 33.22 31.33 2rkj n MET 161 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2rkj n ASN 162 N -5.47 0.00 -0.24 6.12 3.02 -0.82 -2.28 115.26 115.59 2rkj n ASN 162 Ca 0.11 0.95 0.14 0.00 -0.03 0.00 0.00 54.58 55.75 2rkj n ASN 162 Cb 0.41 -0.45 0.26 0.00 -0.61 0.00 0.00 39.78 39.40 2rkj n ASN 162 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2rkj n MET 163 N -1.97 -0.05 0.00 3.52 1.56 -0.29 -1.36 117.12 118.52 2rkj n MET 163 Ca 0.00 1.06 0.00 0.00 -0.27 0.00 0.00 57.70 58.49 2rkj n MET 163 Cb 0.00 -1.73 0.00 0.00 2.15 0.00 0.00 33.22 33.64 2rkj n MET 163 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 2rkj n THR 164 N -4.90 0.00 -0.13 1.12 -1.04 0.14 -2.20 114.28 107.27 2rkj n THR 164 Ca 0.19 1.47 -0.03 0.00 -2.04 0.00 0.00 64.05 63.64 2rkj n THR 164 Cb 0.65 -2.40 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 2rkj n THR 164 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2rkj n LYS 165 N -2.06 -0.13 -0.33 -2.82 4.01 -0.47 -0.86 118.16 115.50 2rkj n LYS 165 Ca 0.00 1.00 0.01 0.00 -0.51 0.00 0.00 58.31 58.81 2rkj n LYS 165 Cb 0.00 -1.48 0.07 0.00 -0.51 0.00 0.00 35.03 33.11 2rkj n LYS 165 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2rkj n ILE 166 N -3.63 -0.43 0.00 -0.18 5.41 -0.98 -0.39 119.36 119.16 2rkj n ILE 166 Ca 0.01 2.05 0.00 0.00 1.00 0.00 0.00 62.75 65.80 2rkj n ILE 166 Cb 0.08 -2.75 0.00 0.00 -0.71 0.00 0.00 39.64 36.26 2rkj n ILE 166 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2rkj n HIS 167 N -5.35 0.00 -0.36 1.39 -0.00 -0.04 -0.66 115.22 110.20 2rkj n HIS 167 Ca 0.11 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.26 2rkj n HIS 167 Cb 0.38 -0.25 0.03 0.00 -0.12 0.00 0.00 29.99 30.03 2rkj n HIS 167 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 2rkj h TYR 168 N 0.00 -1.14 -0.97 1.57 -0.00 -1.05 0.65 116.97 116.03 2rkj h TYR 168 Ca 0.00 0.10 0.31 0.00 -0.00 0.00 0.00 58.73 59.14 2rkj h TYR 168 Cb 0.00 0.63 -0.15 0.00 -0.00 0.00 0.00 36.73 37.21 2rkj h TYR 168 CO -0.29 -0.40 0.46 0.37 -0.00 0.00 0.00 178.16 178.29 2rkj h GLN 169 N -0.02 0.25 -0.02 1.82 4.15 0.21 0.60 115.11 122.10 2rkj h GLN 169 Ca 0.32 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 2rkj h GLN 169 Cb 0.58 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 2rkj h GLN 169 CO -0.95 0.16 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.03 2rkj h LEU 170 N 0.25 0.05 -0.59 -2.39 3.38 0.26 -3.12 115.31 113.16 2rkj h LEU 170 Ca 0.69 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 58.28 2rkj h LEU 170 Cb 1.56 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 2rkj h LEU 170 CO -0.65 0.51 0.22 0.50 0.09 0.00 0.00 178.44 179.11 2rkj h LYS 171 N -0.42 0.39 -0.63 1.13 3.64 -0.31 -1.35 116.57 119.03 2rkj h LYS 171 Ca 0.00 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 2rkj h LYS 171 Cb 0.50 -0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.11 2rkj h LYS 171 CO 0.00 0.25 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.90 2rkj h LYS 172 N 0.40 -0.13 -0.34 1.90 3.64 -1.17 0.80 116.57 121.67 2rkj h LYS 172 Ca 0.29 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 2rkj h LYS 172 Cb 0.35 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 2rkj h LYS 172 CO -0.30 -0.09 -0.38 -0.07 -2.27 0.00 0.00 179.45 176.35 2rkj h LEU 173 N -0.14 -1.24 -0.41 5.20 4.07 -1.18 0.16 115.31 121.77 2rkj h LEU 173 Ca 0.25 0.19 0.07 0.00 0.08 0.00 0.00 57.88 58.48 2rkj h LEU 173 Cb 0.55 0.55 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 2rkj h LEU 173 CO -0.71 -0.36 0.02 -0.50 -1.08 0.00 0.00 178.44 175.81 2rkj h TRP 174 N -0.33 0.01 -1.41 1.13 4.06 -0.91 0.87 115.95 119.37 2rkj h TRP 174 Ca 0.14 0.03 0.41 0.00 2.06 0.00 0.00 58.89 61.53 2rkj h TRP 174 Cb 0.57 0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 28.73 2rkj h TRP 174 CO -0.55 -0.06 1.03 0.93 -3.56 0.00 0.00 178.44 176.23 2rkj h GLU 175 N 0.13 0.00 0.07 0.49 5.08 0.11 0.54 114.58 121.00 2rkj h GLU 175 Ca 0.20 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.20 2rkj h GLU 175 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2rkj h GLU 175 CO -0.32 0.00 -2.13 0.09 -1.00 0.00 0.00 179.01 175.65 2rkj n ASN 176 N -4.06 2.05 -0.31 1.42 5.03 0.11 -3.26 115.26 116.24 2rkj n ASN 176 Ca 0.31 0.12 0.06 0.00 0.87 0.00 0.00 54.58 55.94 2rkj n ASN 176 Cb 1.48 -0.72 0.22 0.00 -1.02 0.00 0.00 39.78 39.74 2rkj n ASN 176 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2rkj h VAL 177 N -0.12 0.81 0.27 2.41 2.07 0.51 0.81 116.25 123.02 2rkj h VAL 177 Ca -0.49 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2rkj h VAL 177 Cb 1.90 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2rkj h VAL 177 CO -0.03 0.14 -0.13 0.44 0.02 0.00 0.00 177.57 178.01 2rkj h ASP 178 N 0.75 -0.31 -0.95 0.57 3.45 -0.37 0.77 116.42 120.34 2rkj h ASP 178 Ca 0.46 0.01 0.33 0.00 0.43 0.00 0.00 57.03 58.26 2rkj h ASP 178 Cb 0.56 0.08 -0.17 0.00 -0.56 0.00 0.00 39.33 39.24 2rkj h ASP 178 CO -0.31 -0.20 0.26 0.35 -1.57 0.00 0.00 179.24 177.76 2rkj n THR 179 N -3.06 -0.40 0.35 0.35 -2.24 -0.81 0.95 114.28 109.42 2rkj n THR 179 Ca -0.04 2.01 -0.15 0.00 -2.27 0.00 0.00 64.05 63.60 2rkj n THR 179 Cb 0.14 -3.09 -0.07 0.00 -2.10 0.00 0.00 70.33 65.21 2rkj n THR 179 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2rkj h GLN 180 N 0.00 -0.89 -0.68 -0.78 1.08 0.85 -2.29 115.11 112.39 2rkj h GLN 180 Ca 0.69 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 58.04 2rkj h GLN 180 Cb 1.65 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 29.17 2rkj h GLN 180 CO -0.81 -0.58 -0.46 1.98 -0.95 0.00 0.00 178.83 178.00 2rkj h MET 181 N -1.20 -0.17 -0.18 1.46 4.05 0.74 0.34 114.93 119.97 2rkj h MET 181 Ca -0.09 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2rkj h MET 181 Cb 0.73 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 2rkj h MET 181 CO 0.16 -0.11 0.11 0.00 0.23 0.00 0.00 176.91 177.29 2rkj h ARG 182 N -0.18 0.24 0.67 0.39 3.08 -1.24 -2.53 114.38 114.81 2rkj h ARG 182 Ca 0.19 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2rkj h ARG 182 Cb 0.55 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2rkj h ARG 182 CO -0.76 0.20 -0.41 0.00 -1.07 0.00 0.00 179.97 177.93 2rkj h ALA 183 N 1.03 -1.22 0.00 0.04 0.00 -0.56 -2.85 119.26 115.71 2rkj h ALA 183 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2rkj h ALA 183 Cb 0.02 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2rkj h ALA 183 CO -0.01 -1.18 0.00 0.54 0.00 0.00 0.00 179.25 178.60 2rkj n ARG 184 N -5.00 0.12 -2.14 0.00 1.74 0.10 -4.69 116.66 106.80 2rkj n ARG 184 Ca -0.12 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.92 2rkj n ARG 184 Cb 0.42 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 2rkj n ARG 184 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rkj n GLY 185 N 0.58 -1.21 3.00 -0.13 0.00 -1.08 -5.03 105.19 101.33 2rkj n GLY 185 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 2rkj n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rkj s TYR 186 N -1.68 0.47 0.22 1.61 1.51 -0.95 -4.99 117.35 113.54 2rkj s TYR 186 Ca 0.11 -0.36 -0.14 0.00 -1.01 0.00 0.00 57.07 55.66 2rkj s TYR 186 Cb -0.03 -0.30 -0.08 0.00 -0.11 0.00 0.00 41.96 41.45 2rkj s TYR 186 CO 0.37 -0.08 0.63 -1.21 -1.11 0.00 0.00 175.55 174.15 2rkj s GLU 187 N -1.06 4.00 -0.39 -0.62 2.02 -1.26 -4.65 118.70 116.74 2rkj s GLU 187 Ca -0.07 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 2rkj s GLU 187 Cb -0.07 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.43 2rkj s GLU 187 CO -0.00 0.34 1.40 0.00 0.02 0.00 0.00 175.26 177.02 2rkj s ALA 188 N -1.69 3.10 -0.18 5.21 0.00 -1.26 -4.99 121.76 121.95 2rkj s ALA 188 Ca 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 2rkj s ALA 188 Cb -0.13 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 19.05 2rkj s ALA 188 CO 0.20 -2.30 -0.06 0.34 0.00 0.00 0.00 175.76 173.94 2rkj s ASP 189 N 3.77 4.43 0.04 0.00 -1.08 -1.26 -5.03 116.67 117.54 2rkj s ASP 189 Ca 0.61 -0.28 -0.25 0.00 -0.52 0.00 0.00 52.55 52.11 2rkj s ASP 189 Cb -0.14 -1.73 -0.14 0.00 -1.46 0.00 0.00 42.92 39.45 2rkj s ASP 189 CO 0.31 0.09 1.31 -0.25 0.52 0.00 0.00 175.17 177.15 2rkj h TRP 190 N 7.29 -0.84 -0.78 -5.34 7.01 -1.99 -3.07 115.95 118.23 2rkj h TRP 190 Ca -0.34 -0.02 0.23 0.00 2.11 0.00 0.00 58.89 60.87 2rkj h TRP 190 Cb 1.18 0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 28.49 2rkj h TRP 190 CO 0.55 -0.52 0.70 0.00 -2.79 0.00 0.00 178.44 176.38 2rkj h ALA 191 N -1.54 2.63 -1.50 2.65 0.00 -1.93 -3.43 119.26 116.13 2rkj h ALA 191 Ca -0.09 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 54.15 2rkj h ALA 191 Cb 0.69 0.06 0.13 0.00 0.00 0.00 0.00 17.79 18.67 2rkj h ALA 191 CO 0.15 -1.10 -0.50 -2.13 0.00 0.00 0.00 179.25 175.68 2rkj n ARG 192 N -3.86 0.32 -3.67 0.00 0.63 -1.16 -4.94 116.66 103.98 2rkj n ARG 192 Ca 0.16 0.11 -0.09 0.00 -0.92 0.00 0.00 57.85 57.11 2rkj n ARG 192 Cb 0.97 -1.23 -0.10 0.00 0.45 0.00 0.00 32.46 32.55 2rkj n ARG 192 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2rkj s LYS 193 N -1.20 0.34 0.43 -0.14 2.47 -0.66 -5.03 119.74 115.94 2rkj s LYS 193 Ca 0.62 0.94 0.03 0.00 -1.56 0.00 0.00 55.97 56.00 2rkj s LYS 193 Cb -0.77 0.20 -0.03 0.00 -1.46 0.00 0.00 37.83 35.77 2rkj s LYS 193 CO 0.58 -0.22 0.08 -0.98 0.16 0.00 0.00 175.35 174.97 2rkj s ARG 194 N 2.20 1.98 0.00 4.03 1.70 -1.25 0.31 118.95 127.92 2rkj s ARG 194 Ca -0.04 -2.22 0.00 0.00 -0.47 0.00 0.00 55.73 53.00 2rkj s ARG 194 Cb -0.11 -0.95 0.00 0.00 -0.57 0.00 0.00 34.95 33.32 2rkj s ARG 194 CO -0.13 -0.40 0.00 0.41 -1.08 0.00 0.00 175.30 174.10 2rkj n GLY 195 N -1.00 2.50 3.14 3.88 0.00 -1.07 -4.91 105.19 107.75 2rkj n GLY 195 Ca -0.09 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 2rkj n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkj s ILE 196 N -2.00 2.00 0.39 -0.61 1.09 -1.26 -2.00 121.20 118.80 2rkj s ILE 196 Ca 0.00 -0.93 0.08 0.00 -1.10 0.00 0.00 60.65 58.70 2rkj s ILE 196 Cb 0.00 -1.78 -0.05 0.00 -1.06 0.00 0.00 42.46 39.57 2rkj s ILE 196 CO 0.00 0.54 0.17 -0.69 -0.10 0.00 0.00 174.94 174.86 2rkj s VAL 197 N 0.97 2.50 -0.19 2.92 1.01 -0.86 -4.96 120.40 121.80 2rkj s VAL 197 Ca -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 61.98 60.21 2rkj s VAL 197 Cb -0.15 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.32 2rkj s VAL 197 CO -0.05 -0.05 0.06 0.21 0.00 0.00 0.00 175.10 175.27 2rkj s ASN 198 N -3.89 2.71 0.60 3.32 3.84 -1.26 -0.20 114.94 120.05 2rkj s ASN 198 Ca 0.40 -0.77 0.29 0.00 0.21 0.00 0.00 52.86 53.00 2rkj s ASN 198 Cb 0.02 -0.44 1.28 0.00 -0.55 0.00 0.00 41.25 41.55 2rkj s ASN 198 CO 0.23 -0.33 1.66 -0.55 -2.79 0.00 0.00 177.10 175.31 2rkj h ASN 199 N 8.32 0.00 -0.66 -4.21 -1.07 -1.13 0.33 115.58 117.16 2rkj h ASN 199 Ca -0.16 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.20 2rkj h ASN 199 Cb 1.13 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.35 2rkj h ASN 199 CO 0.32 0.00 0.36 -0.55 0.07 0.00 0.00 177.43 177.63 2rkj h ASN 200 N 0.00 0.83 -0.40 6.14 -1.07 -1.90 -2.66 115.58 116.52 2rkj h ASN 200 Ca 0.35 -0.10 0.15 0.00 0.07 0.00 0.00 56.30 56.77 2rkj h ASN 200 Cb 1.95 -0.21 -0.07 0.00 -2.07 0.00 0.00 38.32 37.92 2rkj h ASN 200 CO -0.00 0.69 0.16 1.57 0.07 0.00 0.00 177.43 179.91 2rkj n HIS 201 N -4.52 0.41 -0.07 4.14 -0.00 0.12 -1.00 115.22 114.30 2rkj n HIS 201 Ca 0.05 0.48 -0.12 0.00 0.46 0.00 0.00 57.72 58.58 2rkj n HIS 201 Cb 0.09 -0.90 -0.06 0.00 -0.12 0.00 0.00 29.99 29.01 2rkj n HIS 201 CO 0.00 0.00 0.00 -2.67 0.46 0.00 0.00 176.34 174.13 2rkj n TRP 202 N -4.05 0.00 0.19 1.57 2.14 -1.18 -4.64 117.44 111.47 2rkj n TRP 202 Ca 0.14 0.00 0.18 0.00 2.07 0.00 0.00 57.50 59.89 2rkj n TRP 202 Cb 0.46 -0.55 0.81 0.00 -0.81 0.00 0.00 31.31 31.22 2rkj n TRP 202 CO 0.00 0.00 0.00 -1.49 2.07 0.00 0.00 177.69 178.27 2rkj h TRP 203 N -0.21 0.00 0.00 -2.67 -0.00 -0.85 0.50 115.95 112.72 2rkj h TRP 203 Ca -0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.50 2rkj h TRP 203 Cb 1.43 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.59 2rkj h TRP 203 CO -0.01 0.00 -0.23 -0.91 -0.00 0.00 0.00 178.44 177.29 2rkj h ASN 204 N 0.00 0.00 0.00 -3.49 2.35 -1.32 -3.23 115.58 109.89 2rkj h ASN 204 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2rkj h ASN 204 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2rkj h ASN 204 CO -0.00 0.23 -0.21 1.17 -1.65 0.00 0.00 177.43 176.96 2rkj n LYS 205 N -3.71 4.24 -1.46 0.81 4.81 -0.49 -5.03 118.16 117.32 2rkj n LYS 205 Ca -0.01 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.98 2rkj n LYS 205 Cb 0.34 -0.52 -0.09 0.00 0.02 0.00 0.00 35.03 34.78 2rkj n LYS 205 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2rkj n GLN 206 N -0.87 0.60 -1.89 1.64 -0.06 0.16 -4.88 117.38 112.08 2rkj n GLN 206 Ca 0.00 0.09 -0.38 0.00 -2.00 0.00 0.00 57.00 54.72 2rkj n GLN 206 Cb 0.00 -2.27 0.04 0.00 -4.06 0.00 0.00 30.24 23.94 2rkj n GLN 206 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2rkj s PRO 207 N 7.58 3.11 0.08 3.69 0.02 -1.26 -4.94 135.00 143.29 2rkj s PRO 207 Ca 1.17 2.07 -0.11 0.00 0.02 0.00 0.00 61.00 64.14 2rkj s PRO 207 Cb -0.90 -2.16 -0.23 0.00 0.02 0.00 0.00 34.50 31.23 2rkj s PRO 207 CO 0.46 -1.16 1.18 1.98 -0.33 0.00 0.00 177.00 179.12 2rkj h MET 208 N 1.31 0.57 -0.54 5.54 4.05 -2.00 -3.24 114.93 120.61 2rkj h MET 208 Ca -0.51 -0.69 0.11 0.00 -0.28 0.00 0.00 59.70 58.33 2rkj h MET 208 Cb 1.30 0.22 -0.10 0.00 -0.80 0.00 0.00 31.60 32.21 2rkj h MET 208 CO 0.57 1.29 -0.16 1.25 0.23 0.00 0.00 176.91 180.09 2rkj h LEU 209 N 0.28 -0.58 -0.21 3.39 6.46 -1.98 0.88 115.31 123.54 2rkj h LEU 209 Ca -0.14 0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 2rkj h LEU 209 Cb 1.79 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 42.03 2rkj h LEU 209 CO 0.21 -0.20 -0.40 -0.08 -0.62 0.00 0.00 178.44 177.35 2rkj h GLU 210 N -0.03 -0.33 0.00 1.25 4.57 -1.96 -1.34 114.58 116.75 2rkj h GLU 210 Ca 0.26 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2rkj h GLU 210 Cb 0.43 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2rkj h GLU 210 CO -0.57 -0.22 0.00 0.28 -1.18 0.00 0.00 179.01 177.32 2rkj n VAL 211 N -4.62 0.00 -0.53 0.32 0.31 -0.70 0.31 118.33 113.43 2rkj n VAL 211 Ca -0.03 1.43 0.42 0.00 -0.01 0.00 0.00 64.34 66.15 2rkj n VAL 211 Cb 0.26 -2.34 0.67 0.00 -0.91 0.00 0.00 33.84 31.52 2rkj n VAL 211 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2rkj n LEU 212 N -1.96 0.09 -0.08 7.52 4.77 0.22 -1.21 117.00 126.36 2rkj n LEU 212 Ca 0.00 1.07 -0.07 0.00 -0.03 0.00 0.00 56.01 56.98 2rkj n LEU 212 Cb 0.00 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2rkj n LEU 212 CO 0.00 -1.12 -0.38 -1.14 -1.33 0.00 0.00 177.39 173.42 2rkj n ARG 213 N -4.10 0.47 0.25 3.23 0.63 -0.51 -1.05 116.66 115.57 2rkj n ARG 213 Ca 0.38 0.53 0.07 0.00 -0.92 0.00 0.00 57.85 57.91 2rkj n ARG 213 Cb 1.61 -1.69 0.39 0.00 0.45 0.00 0.00 32.46 33.22 2rkj n ARG 213 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rkj h ARG 214 N -1.00 0.00 0.00 -0.14 2.47 0.13 -3.23 114.38 112.62 2rkj h ARG 214 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2rkj h ARG 214 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2rkj h ARG 214 CO -0.03 0.00 0.00 1.33 0.56 0.00 0.00 179.97 181.83 2rkj n VAL 215 N -2.35 0.00 -0.40 2.04 0.24 -0.43 -3.47 118.33 113.96 2rkj n VAL 215 Ca -0.01 0.00 0.32 0.00 -2.04 0.00 0.00 64.34 62.61 2rkj n VAL 215 Cb 0.51 0.00 0.61 0.00 -1.47 0.00 0.00 33.84 33.49 2rkj n VAL 215 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2rkj h GLY 216 N 0.00 1.16 2.00 7.63 0.00 -1.03 0.48 103.07 113.31 2rkj h GLY 216 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 2rkj h GLY 216 CO 0.00 -0.27 -0.35 0.45 0.00 0.00 0.00 176.54 176.37 2rkj h HIS 217 N 0.19 0.00 0.21 5.60 3.86 -1.71 -3.31 115.15 119.98 2rkj h HIS 217 Ca 0.73 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.64 2rkj h HIS 217 Cb 2.20 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.70 2rkj h HIS 217 CO -0.00 0.35 -1.35 0.00 0.86 0.00 0.00 177.93 177.78 2rkj h ALA 218 N 1.65 -0.07 -2.39 2.45 0.00 -0.37 -3.46 119.26 117.07 2rkj h ALA 218 Ca -0.00 -0.88 -0.50 0.00 0.00 0.00 0.00 54.91 53.52 2rkj h ALA 218 Cb 0.96 0.23 0.06 0.00 0.00 0.00 0.00 17.79 19.04 2rkj h ALA 218 CO 0.04 0.67 0.38 -0.51 0.00 0.00 0.00 179.25 179.84 2rkj s LEU 219 N -7.62 3.15 -0.09 0.00 2.01 -1.03 -5.08 118.68 110.03 2rkj s LEU 219 Ca -0.12 1.26 -0.04 0.00 0.01 0.00 0.00 54.13 55.24 2rkj s LEU 219 Cb 0.03 -4.21 0.05 0.00 0.01 0.00 0.00 46.19 42.07 2rkj s LEU 219 CO 0.89 -1.01 0.18 -0.60 1.01 0.00 0.00 176.35 176.82 2rkj s ARG 220 N -5.20 0.10 0.08 1.70 3.00 -1.26 -4.95 118.95 112.42 2rkj s ARG 220 Ca 0.55 0.51 0.01 0.00 -1.00 0.00 0.00 55.73 55.81 2rkj s ARG 220 Cb -0.11 -0.18 0.08 0.00 0.00 0.00 0.00 34.95 34.74 2rkj s ARG 220 CO 0.52 -0.23 0.72 0.44 0.00 0.00 0.00 175.30 176.75 2rkj n ILE 221 N 4.73 0.45 0.00 4.11 -6.64 -1.26 -3.25 119.36 117.50 2rkj n ILE 221 Ca -0.17 0.56 0.00 0.00 -1.77 0.00 0.00 62.75 61.38 2rkj n ILE 221 Cb 0.51 -1.56 0.00 0.00 -1.44 0.00 0.00 39.64 37.15 2rkj n ILE 221 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2rkj n GLY 222 N -1.16 -2.38 0.10 3.28 0.00 -1.26 0.20 105.19 103.97 2rkj n GLY 222 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2rkj n GLY 222 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rkj n PRO 223 N -0.17 0.00 -0.06 1.61 -0.02 -1.20 -0.75 135.00 134.41 2rkj n PRO 223 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 2rkj n PRO 223 Cb 0.00 -0.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 2rkj n PRO 223 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2rkj n MET 224 N -0.27 0.40 0.25 -0.52 2.81 -0.94 -3.95 117.12 114.90 2rkj n MET 224 Ca 0.00 0.16 0.12 0.00 -1.81 0.00 0.00 57.70 56.17 2rkj n MET 224 Cb 0.00 -1.20 0.64 0.00 -0.71 0.00 0.00 33.22 31.95 2rkj n MET 224 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2rkj h LEU 225 N -0.75 0.00 -0.24 4.03 6.46 0.30 -1.33 115.31 123.78 2rkj h LEU 225 Ca -0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 2rkj h LEU 225 Cb 0.79 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.72 2rkj h LEU 225 CO -0.02 0.15 -0.15 -1.28 -0.62 0.00 0.00 178.44 176.52 2rkj h SER 226 N 0.00 0.00 -1.51 1.25 0.87 -1.09 -3.38 113.55 109.69 2rkj h SER 226 Ca -0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.83 2rkj h SER 226 Cb 0.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2rkj h SER 226 CO 0.02 0.15 0.98 -1.14 -0.53 0.00 0.00 176.83 176.31 2rkj n ARG 227 N -3.16 1.21 0.30 2.24 0.00 -0.50 -4.77 116.66 111.97 2rkj n ARG 227 Ca 0.03 0.43 -0.18 0.00 -0.00 0.00 0.00 57.85 58.13 2rkj n ARG 227 Cb 0.55 -2.17 -0.09 0.00 0.00 0.00 0.00 32.46 30.75 2rkj n ARG 227 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2rkj h ASP 228 N 7.89 -1.29 -0.83 6.15 3.58 -1.88 0.49 116.42 130.54 2rkj h ASP 228 Ca -0.44 0.10 0.08 0.00 0.42 0.00 0.00 57.03 57.20 2rkj h ASP 228 Cb 1.32 0.42 -0.11 0.00 1.72 0.00 0.00 39.33 42.68 2rkj h ASP 228 CO 0.97 -0.65 -0.46 0.41 -2.88 0.00 0.00 179.24 176.64 2rkj n THR 229 N -5.55 -0.54 -0.06 2.25 -1.04 -1.26 0.44 114.28 108.52 2rkj n THR 229 Ca -0.12 1.99 -0.14 0.00 -2.04 0.00 0.00 64.05 63.74 2rkj n THR 229 Cb 0.45 -2.49 -0.13 0.00 -1.82 0.00 0.00 70.33 66.34 2rkj n THR 229 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2rkj h VAL 230 N 0.00 1.74 -0.96 12.58 2.07 -1.78 -3.24 116.25 126.66 2rkj h VAL 230 Ca 0.16 -2.20 0.22 0.00 0.82 0.00 0.00 66.70 65.70 2rkj h VAL 230 Cb 0.37 3.24 -0.12 0.00 -1.52 0.00 0.00 31.29 33.26 2rkj h VAL 230 CO -0.79 0.57 0.52 0.50 0.02 0.00 0.00 177.57 178.40 2rkj h LYS 231 N -0.92 0.53 -0.17 1.57 3.64 0.47 1.55 116.57 123.24 2rkj h LYS 231 Ca -0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2rkj h LYS 231 Cb 0.95 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2rkj h LYS 231 CO 0.00 0.35 0.10 -0.97 -2.27 0.00 0.00 179.45 176.66 2rkj h ASN 232 N 0.55 0.19 -0.21 4.20 -0.00 -0.11 -2.23 115.58 117.97 2rkj h ASN 232 Ca 0.60 -0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.87 2rkj h ASN 232 Cb 1.09 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 39.35 2rkj h ASN 232 CO -0.47 0.15 0.07 0.50 -0.00 0.00 0.00 177.43 177.68 2rkj h LYS 233 N 0.23 0.40 -0.08 6.67 1.63 0.22 0.12 116.57 125.75 2rkj h LYS 233 Ca 0.06 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 2rkj h LYS 233 Cb -0.01 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.55 2rkj h LYS 233 CO -0.01 0.37 -0.40 0.52 -3.45 0.00 0.00 179.45 176.48 2rkj h MET 234 N 0.40 0.42 0.00 1.90 0.00 -1.35 -2.87 114.93 113.44 2rkj h MET 234 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 59.70 59.46 2rkj h MET 234 Cb 0.16 0.07 0.00 0.00 0.00 0.00 0.00 31.60 31.83 2rkj h MET 234 CO -0.00 0.98 0.00 0.25 0.00 0.00 0.00 176.91 178.13 2rkj n THR 235 N -4.34 0.00 -2.30 2.22 -2.24 -1.12 -4.12 114.28 102.38 2rkj n THR 235 Ca -0.08 0.99 -0.43 0.00 -2.27 0.00 0.00 64.05 62.26 2rkj n THR 235 Cb 0.55 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 2rkj n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rkj n GLN 236 N -1.67 3.47 -3.55 -0.78 1.13 0.40 -4.84 117.38 111.54 2rkj n GLN 236 Ca 0.00 -3.41 0.00 0.00 -1.94 0.00 0.00 57.00 51.65 2rkj n GLN 236 Cb 0.00 -3.00 0.00 0.00 0.11 0.00 0.00 30.24 27.35 2rkj n GLN 236 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rkj n GLY 237 N 3.17 -1.28 0.12 1.08 0.00 -1.09 -4.55 105.19 102.64 2rkj n GLY 237 Ca 0.42 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 2rkj n GLY 237 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2rkj h ASP 238 N 0.00 0.37 0.00 1.61 2.03 -1.83 -3.45 116.42 115.15 2rkj h ASP 238 Ca 0.00 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.55 2rkj h ASP 238 Cb 0.00 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 2rkj h ASP 238 CO 0.00 1.06 0.00 0.61 -1.03 0.00 0.00 179.24 179.88 2rkj n GLY 239 N 0.99 -0.04 3.61 7.15 0.00 -1.20 -4.92 105.19 110.78 2rkj n GLY 239 Ca -0.10 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2rkj n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkj s VAL 240 N -1.48 0.00 0.04 1.61 0.11 -1.26 -4.25 120.40 115.17 2rkj s VAL 240 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 2rkj s VAL 240 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2rkj s VAL 240 CO 0.00 0.00 0.33 -0.94 -3.33 0.00 0.00 175.10 171.16 2rkj s SER 241 N -0.12 6.57 0.53 3.54 1.04 -1.26 -4.94 113.70 119.06 2rkj s SER 241 Ca -0.01 0.67 0.44 0.00 0.48 0.00 0.00 55.95 57.53 2rkj s SER 241 Cb -0.04 -2.13 1.64 0.00 0.10 0.00 0.00 66.02 65.59 2rkj s SER 241 CO 0.01 0.23 1.62 0.15 0.98 0.00 0.00 173.24 176.22 2rkj h PHE 242 N 3.92 0.13 0.69 5.02 3.57 -2.02 0.75 116.94 129.00 2rkj h PHE 242 Ca -0.50 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 2rkj h PHE 242 Cb 1.20 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.91 2rkj h PHE 242 CO 0.68 -0.06 -0.33 0.00 -2.23 0.00 0.00 178.31 176.37 2rkj h ALA 243 N 1.21 -1.20 -0.59 2.41 0.00 -1.98 -1.49 119.26 117.63 2rkj h ALA 243 Ca 0.86 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.68 2rkj h ALA 243 Cb 3.29 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 21.33 2rkj h ALA 243 CO -0.12 -1.13 -0.27 0.93 0.00 0.00 0.00 179.25 178.66 2rkj h GLU 244 N -0.96 -0.11 -1.01 0.00 5.08 0.16 0.58 114.58 118.32 2rkj h GLU 244 Ca -0.09 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.44 2rkj h GLU 244 Cb 0.71 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 2rkj h GLU 244 CO 0.15 -0.08 0.62 0.35 -1.00 0.00 0.00 179.01 179.06 2rkj h PHE 245 N -0.12 1.10 0.00 4.33 -0.00 -1.35 -1.15 116.94 119.75 2rkj h PHE 245 Ca 0.25 0.03 -0.14 0.00 -0.00 0.00 0.00 57.97 58.12 2rkj h PHE 245 Cb 0.53 -0.34 -0.02 0.00 -0.00 0.00 0.00 35.95 36.12 2rkj h PHE 245 CO -0.59 0.31 -0.71 1.15 -0.00 0.00 0.00 178.31 178.47 2rkj h THR 246 N 0.84 1.09 -0.90 4.41 2.02 0.62 -3.36 112.91 117.63 2rkj h THR 246 Ca 0.55 -2.57 0.10 0.00 0.77 0.00 0.00 66.41 65.26 2rkj h THR 246 Cb 0.77 2.53 -0.12 0.00 -1.74 0.00 0.00 68.15 69.59 2rkj h THR 246 CO -0.34 0.62 -0.48 0.00 0.37 0.00 0.00 175.52 175.69 2rkj n TYR 247 N -3.24 -0.28 -0.09 3.16 9.36 0.16 0.47 117.16 126.70 2rkj n TYR 247 Ca 0.01 1.12 -0.13 0.00 3.32 0.00 0.00 57.90 62.22 2rkj n TYR 247 Cb 0.80 -0.64 -0.08 0.00 -0.63 0.00 0.00 39.34 38.79 2rkj n TYR 247 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2rkj h PRO 248 N 0.00 -0.42 -0.89 2.98 0.13 -1.71 0.82 132.00 132.90 2rkj h PRO 248 Ca 0.19 0.03 0.34 0.00 -0.87 0.00 0.00 66.00 65.69 2rkj h PRO 248 Cb 0.42 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.48 2rkj h PRO 248 CO -0.86 -0.28 0.36 -0.89 -0.23 0.00 0.00 178.00 176.10 2rkj n ILE 249 N -5.41 -0.38 -0.05 -3.56 2.08 0.18 0.16 119.36 112.38 2rkj n ILE 249 Ca -0.03 1.86 -0.15 0.00 0.56 0.00 0.00 62.75 64.99 2rkj n ILE 249 Cb 0.36 -2.93 -0.07 0.00 -0.75 0.00 0.00 39.64 36.25 2rkj n ILE 249 CO 0.00 0.00 0.00 0.24 0.56 0.00 0.00 176.55 177.35 2rkj h MET 250 N 0.00 0.54 -0.35 0.38 2.86 -0.22 -1.58 114.93 116.57 2rkj h MET 250 Ca 0.70 -0.36 0.10 0.00 -2.06 0.00 0.00 59.70 58.08 2rkj h MET 250 Cb 1.78 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 2rkj h MET 250 CO -0.73 0.97 0.39 0.37 1.06 0.00 0.00 176.91 178.97 2rkj h GLN 251 N 0.19 0.00 0.05 1.72 5.75 0.27 0.47 115.11 123.56 2rkj h GLN 251 Ca 0.00 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.21 2rkj h GLN 251 Cb 0.97 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 2rkj h GLN 251 CO 0.08 0.00 -1.55 0.78 -2.65 0.00 0.00 178.83 175.49 2rkj h GLY 252 N 0.00 0.11 2.00 2.39 0.00 -0.82 -2.90 103.07 103.85 2rkj h GLY 252 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 2rkj h GLY 252 CO -0.00 0.26 -0.42 -0.25 0.00 0.00 0.00 176.54 176.12 2rkj h TRP 253 N 0.03 0.00 0.60 5.60 2.91 0.69 -2.42 115.95 123.36 2rkj h TRP 253 Ca -0.24 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.76 2rkj h TRP 253 Cb 1.97 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 30.63 2rkj h TRP 253 CO 0.03 0.42 -0.29 -0.44 -1.03 0.00 0.00 178.44 177.13 2rkj h ASP 254 N 0.00 -0.68 -0.75 2.65 3.32 -0.37 0.77 116.42 121.37 2rkj h ASP 254 Ca -0.00 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.13 2rkj h ASP 254 Cb 0.89 0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.49 2rkj h ASP 254 CO 0.05 -0.30 -0.45 -0.25 -1.72 0.00 0.00 179.24 176.58 2rkj h TRP 255 N -1.12 -1.32 0.27 4.55 2.91 -1.36 -0.02 115.95 119.86 2rkj h TRP 255 Ca -0.08 0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2rkj h TRP 255 Cb 0.66 0.68 -0.04 0.00 -0.51 0.00 0.00 29.16 29.96 2rkj h TRP 255 CO 0.00 -0.41 -0.47 0.35 -1.03 0.00 0.00 178.44 176.88 2rkj h PHE 256 N -0.13 -1.32 -0.98 2.65 3.57 -1.42 -1.02 116.94 118.27 2rkj h PHE 256 Ca 0.22 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.89 2rkj h PHE 256 Cb 0.55 0.54 -0.16 0.00 2.79 0.00 0.00 35.95 39.67 2rkj h PHE 256 CO -0.80 -0.59 -0.39 0.39 -2.23 0.00 0.00 178.31 174.69 2rkj n GLU 257 N -5.51 -0.24 -0.06 1.11 -0.58 0.26 0.23 120.64 115.86 2rkj n GLU 257 Ca -0.09 1.51 0.10 0.00 -0.42 0.00 0.00 57.16 58.26 2rkj n GLU 257 Cb 0.42 -2.24 0.49 0.00 -0.57 0.00 0.00 31.44 29.53 2rkj n GLU 257 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2rkj h LEU 258 N 0.00 0.38 0.14 -4.62 3.38 -0.20 1.89 115.31 116.29 2rkj h LEU 258 Ca 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2rkj h LEU 258 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2rkj h LEU 258 CO -0.97 0.24 -0.07 0.15 0.09 0.00 0.00 178.44 177.88 2rkj h PHE 259 N 0.43 -0.18 -0.86 1.13 -0.00 0.41 0.99 116.94 118.87 2rkj h PHE 259 Ca 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.20 2rkj h PHE 259 Cb 0.41 0.06 -0.04 0.00 -0.00 0.00 0.00 35.95 36.38 2rkj h PHE 259 CO -0.00 0.28 0.48 -0.92 -0.00 0.00 0.00 178.31 178.15 2rkj h TYR 260 N -0.81 1.17 -0.02 0.41 3.20 0.13 0.23 116.97 121.28 2rkj h TYR 260 Ca -0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2rkj h TYR 260 Cb 0.54 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2rkj h TYR 260 CO 0.09 0.80 -0.38 1.04 -1.64 0.00 0.00 178.16 178.08 2rkj n GLN 261 N -4.38 1.45 -0.23 1.82 6.02 0.64 -4.71 117.38 117.98 2rkj n GLN 261 Ca 0.09 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.88 2rkj n GLN 261 Cb 0.09 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.87 2rkj n GLN 261 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2rkj n GLN 262 N 0.27 0.00 -3.36 -1.09 1.13 0.33 -4.96 117.38 109.70 2rkj n GLN 262 Ca 0.10 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 55.01 2rkj n GLN 262 Cb 0.50 -0.01 0.02 0.00 0.11 0.00 0.00 30.24 30.86 2rkj n GLN 262 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rkj n GLY 263 N 0.00 -1.19 3.35 1.08 0.00 0.79 -4.84 105.19 104.39 2rkj n GLY 263 Ca 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 2rkj n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rkj s VAL 264 N -3.17 3.93 -0.24 1.61 1.01 -1.17 -3.59 120.40 118.77 2rkj s VAL 264 Ca 0.19 -0.59 0.16 0.00 0.00 0.00 0.00 61.98 61.74 2rkj s VAL 264 Cb -0.05 -2.97 0.46 0.00 0.00 0.00 0.00 36.38 33.83 2rkj s VAL 264 CO 0.80 0.17 1.36 0.00 0.00 0.00 0.00 175.10 177.42 2rkj n GLN 265 N 4.86 2.67 -3.58 2.72 6.02 -0.57 -4.37 117.38 125.12 2rkj n GLN 265 Ca -0.15 -2.70 -0.17 0.00 -0.01 0.00 0.00 57.00 53.97 2rkj n GLN 265 Cb 0.49 -1.72 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 2rkj n GLN 265 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2rkj s MET 266 N -2.62 0.94 -0.08 -1.09 1.75 -0.66 -0.24 119.30 117.30 2rkj s MET 266 Ca 0.38 0.24 -0.03 0.00 -1.25 0.00 0.00 55.69 55.02 2rkj s MET 266 Cb 0.30 0.44 0.05 0.00 2.84 0.00 0.00 34.83 38.46 2rkj s MET 266 CO 0.08 -0.27 0.16 -1.14 -0.65 0.00 0.00 175.02 173.20 2rkj s GLN 267 N -1.05 0.04 -0.18 4.11 0.74 -1.17 -2.66 119.66 119.50 2rkj s GLN 267 Ca -0.10 0.53 -0.09 0.00 0.05 0.00 0.00 55.36 55.74 2rkj s GLN 267 Cb -0.02 -0.26 -0.05 0.00 1.10 0.00 0.00 33.01 33.79 2rkj s GLN 267 CO 0.08 -0.28 0.13 0.42 -0.55 0.00 0.00 175.29 175.08 2rkj s ILE 268 N 2.08 5.37 0.00 -2.34 1.01 -0.82 -2.96 121.20 123.55 2rkj s ILE 268 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2rkj s ILE 268 Cb -0.12 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2rkj s ILE 268 CO -0.06 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.97 2rkj n GLY 269 N 3.24 3.68 3.76 6.18 0.00 -1.20 -4.42 105.19 116.43 2rkj n GLY 269 Ca -0.17 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 2rkj n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rkj s GLY 270 N -0.59 2.72 0.34 -0.02 0.00 -1.26 -2.77 107.32 105.74 2rkj s GLY 270 Ca 0.00 0.95 0.11 0.00 0.00 0.00 0.00 44.72 45.78 2rkj s GLY 270 CO 0.00 1.35 1.75 1.76 0.00 0.00 0.00 173.10 177.96 2rkj h SER 271 N 1.29 0.64 0.59 1.64 0.02 -1.87 0.59 113.55 116.45 2rkj h SER 271 Ca -0.50 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2rkj h SER 271 Cb 1.27 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2rkj h SER 271 CO 0.57 0.13 -0.17 -0.90 -1.14 0.00 0.00 176.83 175.32 2rkj n ASP 272 N -4.79 0.33 -0.05 3.07 5.75 -1.26 -3.95 116.55 115.64 2rkj n ASP 272 Ca 0.26 -0.16 0.05 0.00 -0.01 0.00 0.00 54.79 54.92 2rkj n ASP 272 Cb 0.75 -0.13 0.27 0.00 -1.03 0.00 0.00 41.12 40.97 2rkj n ASP 272 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rkj n GLN 273 N -1.26 1.07 0.37 0.11 1.13 0.21 -3.97 117.38 115.04 2rkj n GLN 273 Ca 0.10 -0.10 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 2rkj n GLN 273 Cb 0.31 -1.16 -0.08 0.00 0.11 0.00 0.00 30.24 29.43 2rkj n GLN 273 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2rkj h TYR 274 N 0.18 -0.88 -0.82 1.08 3.20 -1.69 0.33 116.97 118.37 2rkj h TYR 274 Ca 0.00 -0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.09 2rkj h TYR 274 Cb 0.04 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2rkj h TYR 274 CO 0.01 -0.53 0.89 0.78 -1.64 0.00 0.00 178.16 177.68 2rkj h GLY 275 N -1.20 0.00 0.37 1.82 0.00 -1.91 0.44 103.07 102.59 2rkj h GLY 275 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.95 2rkj h GLY 275 CO 0.16 0.00 -1.52 3.43 0.00 0.00 0.00 176.54 178.61 2rkj h ASN 276 N 0.00 0.25 -0.42 0.19 2.35 -1.72 -3.18 115.58 113.05 2rkj h ASN 276 Ca 0.39 -0.77 0.03 0.00 -0.55 0.00 0.00 56.30 55.40 2rkj h ASN 276 Cb 2.17 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 40.44 2rkj h ASN 276 CO -0.00 1.64 0.28 0.40 -1.65 0.00 0.00 177.43 178.10 2rkj h ILE 277 N -0.44 1.04 0.36 2.81 2.04 0.38 0.19 117.51 123.88 2rkj h ILE 277 Ca -0.35 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2rkj h ILE 277 Cb 1.67 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2rkj h ILE 277 CO -0.03 0.08 -0.17 0.40 0.00 0.00 0.00 178.15 178.44 2rkj h ILE 278 N 0.46 0.00 -0.99 -0.67 1.08 -1.14 -2.55 117.51 113.69 2rkj h ILE 278 Ca 0.17 -0.31 0.24 0.00 -0.39 0.00 0.00 64.86 64.57 2rkj h ILE 278 Cb 0.11 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.77 2rkj h ILE 278 CO -0.04 0.00 0.65 0.77 -0.69 0.00 0.00 178.15 178.83 2rkj h SER 279 N -0.79 0.45 0.25 1.72 4.64 -1.47 0.82 113.55 119.17 2rkj h SER 279 Ca -0.05 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2rkj h SER 279 Cb 0.37 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2rkj h SER 279 CO 0.08 0.13 -0.12 1.23 -0.87 0.00 0.00 176.83 177.28 2rkj h GLY 280 N 0.42 -0.35 -0.02 -0.77 0.00 -0.65 -2.91 103.07 98.78 2rkj h GLY 280 Ca 0.55 0.13 0.00 0.00 0.00 0.00 0.00 47.33 48.01 2rkj h GLY 280 CO -0.25 -0.13 -0.01 1.04 0.00 0.00 0.00 176.54 177.19 2rkj n LEU 281 N -5.22 -0.02 -0.32 3.11 4.77 0.26 -0.10 117.00 119.48 2rkj n LEU 281 Ca -0.09 0.92 -0.03 0.00 -0.03 0.00 0.00 56.01 56.78 2rkj n LEU 281 Cb 0.17 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2rkj n LEU 281 CO 0.35 -0.47 0.46 -0.62 -1.33 0.00 0.00 177.39 175.77 2rkj n GLU 282 N -2.96 -0.23 -0.28 3.23 1.02 -1.09 0.16 120.64 120.48 2rkj n GLU 282 Ca 0.00 1.26 -0.00 0.00 -0.02 0.00 0.00 57.16 58.39 2rkj n GLU 282 Cb 0.01 -1.86 0.12 0.00 -0.02 0.00 0.00 31.44 29.68 2rkj n GLU 282 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2rkj h VAL 283 N 0.00 1.04 -0.07 2.62 2.07 -0.33 -1.65 116.25 119.92 2rkj h VAL 283 Ca 0.25 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2rkj h VAL 283 Cb 0.45 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2rkj h VAL 283 CO -0.81 0.16 -0.23 0.58 0.02 0.00 0.00 177.57 177.30 2rkj h VAL 284 N 0.90 0.00 -0.06 2.57 2.07 0.50 -2.84 116.25 119.39 2rkj h VAL 284 Ca 0.34 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.90 2rkj h VAL 284 Cb 0.14 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 2rkj h VAL 284 CO -0.16 0.00 -0.46 0.50 0.02 0.00 0.00 177.57 177.47 2rkj h LYS 285 N -0.23 -0.55 -0.74 1.57 1.63 -1.09 -2.71 116.57 114.45 2rkj h LYS 285 Ca 0.02 0.04 0.14 0.00 -0.85 0.00 0.00 60.65 59.99 2rkj h LYS 285 Cb 0.28 0.12 -0.13 0.00 -0.60 0.00 0.00 32.23 31.90 2rkj h LYS 285 CO -0.19 -0.36 -0.22 0.00 -3.45 0.00 0.00 179.45 175.22 2rkj n ALA 286 N -2.93 0.08 -0.02 5.00 0.00 -0.64 0.11 120.51 122.10 2rkj n ALA 286 Ca -0.05 0.78 -0.11 0.00 0.00 0.00 0.00 53.44 54.05 2rkj n ALA 286 Cb 0.38 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 2rkj n ALA 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rkj h ALA 287 N 1.31 0.15 -0.97 0.00 0.00 -1.26 -1.76 119.26 116.73 2rkj h ALA 287 Ca 0.32 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.25 2rkj h ALA 287 Cb 0.50 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2rkj h ALA 287 CO -0.75 -0.25 0.62 0.00 0.00 0.00 0.00 179.25 178.86 2rkj h ARG 288 N 0.02 0.90 0.00 0.00 3.08 0.10 -2.92 114.38 115.56 2rkj h ARG 288 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2rkj h ARG 288 Cb 0.18 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2rkj h ARG 288 CO -0.00 0.59 0.00 0.39 -1.07 0.00 0.00 179.97 179.88 2rkj n GLU 289 N -4.60 0.00 -0.28 0.04 -0.58 0.77 -3.55 120.64 112.44 2rkj n GLU 289 Ca 0.18 0.49 -0.03 0.00 -0.42 0.00 0.00 57.16 57.39 2rkj n GLU 289 Cb 0.37 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.76 2rkj n GLU 289 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2rkj n SER 290 N -1.97 1.82 -4.47 1.62 3.41 -0.69 -4.80 113.62 108.54 2rkj n SER 290 Ca 0.00 -1.71 -0.43 0.00 -0.26 0.00 0.00 58.87 56.47 2rkj n SER 290 Cb 0.00 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 2rkj n SER 290 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2rkj s GLU 291 N 1.94 3.22 0.00 4.33 2.56 -1.20 -4.86 118.70 124.70 2rkj s GLU 291 Ca 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 54.97 54.20 2rkj s GLU 291 Cb 0.07 -4.40 0.00 0.00 2.00 0.00 0.00 34.13 31.80 2rkj s GLU 291 CO 0.00 -1.88 0.13 -0.35 -0.56 0.00 0.00 175.26 172.61 2rkj n PRO 292 N 7.81 0.26 -4.01 4.30 -0.04 -1.26 -4.50 135.00 137.56 2rkj n PRO 292 Ca 0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 2rkj n PRO 292 Cb 0.47 -1.13 -0.16 0.00 -0.04 0.00 0.00 33.50 32.64 2rkj n PRO 292 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2rkj s ASP 293 N -0.75 2.89 0.15 3.54 3.68 -1.26 -5.03 116.67 119.89 2rkj s ASP 293 Ca 0.00 -0.60 -0.13 0.00 2.13 0.00 0.00 52.55 53.94 2rkj s ASP 293 Cb 0.00 -1.19 0.03 0.00 -1.45 0.00 0.00 42.92 40.31 2rkj s ASP 293 CO 0.00 -0.08 1.66 1.55 0.13 0.00 0.00 175.17 178.42 2rkj h PRO 294 N 8.03 0.78 0.00 4.34 0.13 -2.00 0.17 132.00 143.46 2rkj h PRO 294 Ca -0.35 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2rkj h PRO 294 Cb 1.12 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2rkj h PRO 294 CO 0.51 0.75 -0.18 -0.56 -0.23 0.00 0.00 178.00 178.30 2rkj h GLN 295 N 0.67 0.00 0.00 0.86 3.07 -1.96 -3.02 115.11 114.73 2rkj h GLN 295 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2rkj h GLN 295 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 2rkj h GLN 295 CO 0.00 0.18 -0.98 0.39 0.09 0.00 0.00 178.83 178.51 2rkj n GLU 296 N -3.22 0.34 0.08 0.06 -0.58 -1.11 -3.83 120.64 112.39 2rkj n GLU 296 Ca 0.02 0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.74 2rkj n GLU 296 Cb 0.50 -1.64 0.17 0.00 -0.57 0.00 0.00 31.44 29.90 2rkj n GLU 296 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rkj h ARG 297 N 0.00 0.29 0.00 3.49 3.08 -0.52 -1.98 114.38 118.74 2rkj h ARG 297 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2rkj h ARG 297 Cb 0.78 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2rkj h ARG 297 CO 0.00 0.70 0.08 1.63 -1.07 0.00 0.00 179.97 181.31 2rkj n LYS 298 N -3.98 0.06 0.00 0.04 5.02 -1.22 -2.22 118.16 115.85 2rkj n LYS 298 Ca -0.02 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2rkj n LYS 298 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2rkj n LYS 298 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2rkj n TYR 299 N -1.79 0.00 -0.28 2.13 4.02 -0.78 -4.87 117.16 115.58 2rkj n TYR 299 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 2rkj n TYR 299 Cb 0.09 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.51 2rkj n TYR 299 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 2rkj h VAL 300 N 0.00 0.21 -1.62 -0.72 -1.51 -1.52 -3.44 116.25 107.64 2rkj h VAL 300 Ca 0.00 -0.00 -0.69 0.00 -1.23 0.00 0.00 66.70 64.78 2rkj h VAL 300 Cb 0.00 0.21 0.05 0.00 -2.13 0.00 0.00 31.29 29.42 2rkj h VAL 300 CO 0.00 0.00 0.43 0.41 -1.23 0.00 0.00 177.57 177.18 2rkj n THR 301 N -5.52 0.01 -1.43 7.19 -1.04 -0.94 -4.71 114.28 107.83 2rkj n THR 301 Ca 0.11 -0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.00 2rkj n THR 301 Cb 0.40 -0.76 -0.10 0.00 -1.82 0.00 0.00 70.33 68.05 2rkj n THR 301 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2rkj n PRO 302 N 2.50 0.17 0.00 -2.82 -0.02 -1.26 -4.82 135.00 128.75 2rkj n PRO 302 Ca 0.19 -0.86 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 2rkj n PRO 302 Cb 0.18 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 2rkj n PRO 302 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2rkj n LYS 303 N 7.10 0.00 -1.35 -0.52 5.02 -1.26 -4.92 118.16 122.23 2rkj n LYS 303 Ca 0.37 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.29 2rkj n LYS 303 Cb 0.42 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.49 2rkj n LYS 303 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2rkj n THR 304 N 0.00 2.13 -0.20 -0.18 5.66 -1.26 -4.85 114.28 115.57 2rkj n THR 304 Ca 0.00 -0.43 -0.02 0.00 -3.05 0.00 0.00 64.05 60.56 2rkj n THR 304 Cb 0.00 -0.78 0.09 0.00 -1.55 0.00 0.00 70.33 68.09 2rkj n THR 304 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rkj h ALA 305 N -0.15 0.80 0.00 1.79 0.00 -2.03 -1.19 119.26 118.48 2rkj h ALA 305 Ca -0.46 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2rkj h ALA 305 Cb 1.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2rkj h ALA 305 CO 0.44 -0.08 -0.01 -0.07 0.00 0.00 0.00 179.25 179.53 2rkj h LEU 306 N 0.54 0.00 -3.11 0.00 3.38 -2.01 -3.18 115.31 110.92 2rkj h LEU 306 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2rkj h LEU 306 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2rkj h LEU 306 CO -0.22 0.01 0.00 -0.67 0.09 0.00 0.00 178.44 177.65 2rkj n ASP 307 N -3.22 2.02 -4.47 -0.43 4.64 -0.45 -4.75 116.55 109.90 2rkj n ASP 307 Ca -0.02 -1.40 -0.33 0.00 -1.38 0.00 0.00 54.79 51.66 2rkj n ASP 307 Cb 0.14 -0.41 -0.13 0.00 -1.04 0.00 0.00 41.12 39.68 2rkj n ASP 307 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 2rkj s GLU 308 N 0.97 3.36 -0.11 -0.67 0.41 -1.21 -4.73 118.70 116.72 2rkj s GLU 308 Ca 0.00 -0.59 -0.30 0.00 -0.41 0.00 0.00 54.97 53.67 2rkj s GLU 308 Cb 0.00 -2.73 -0.02 0.00 -1.78 0.00 0.00 34.13 29.60 2rkj s GLU 308 CO 0.00 0.33 1.16 0.00 -0.49 0.00 0.00 175.26 176.25 2rkj s VAL 310 N 2.57 1.86 0.32 0.00 -7.23 0.66 -4.92 120.40 113.65 2rkj s VAL 310 Ca 0.53 -2.13 -0.08 0.00 -1.81 0.00 0.00 61.98 58.50 2rkj s VAL 310 Cb -0.22 -2.62 0.01 0.00 0.56 0.00 0.00 36.38 34.11 2rkj s VAL 310 CO 0.18 -0.20 0.52 -0.83 -0.31 0.00 0.00 175.10 174.46 2rkj s GLY 311 N -3.54 1.04 -0.25 2.32 0.00 -0.97 -3.03 107.32 102.88 2rkj s GLY 311 Ca 0.32 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.67 2rkj s GLY 311 CO 0.15 -0.79 0.63 -0.11 0.00 0.00 0.00 173.10 172.98 2rkj s PHE 312 N -3.23 -0.94 -0.27 1.90 -0.12 -1.15 -2.42 117.98 111.74 2rkj s PHE 312 Ca 0.26 1.93 -0.20 0.00 -0.05 0.00 0.00 56.93 58.86 2rkj s PHE 312 Cb -0.01 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 2rkj s PHE 312 CO 0.15 -0.47 0.64 0.95 -0.05 0.00 0.00 175.22 176.44 2rkj s THR 313 N 1.43 4.96 0.70 -4.49 -4.23 -1.07 -3.27 115.64 109.67 2rkj s THR 313 Ca -0.09 1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 61.32 2rkj s THR 313 Cb -0.06 -3.97 0.02 0.00 1.34 0.00 0.00 72.50 69.84 2rkj s THR 313 CO -0.16 -0.04 1.18 0.68 -0.54 0.00 0.00 174.62 175.74 2rkj s VAL 314 N 2.56 2.59 0.62 2.29 -7.23 -1.11 -0.67 120.40 119.45 2rkj s VAL 314 Ca 0.26 0.29 -0.18 0.00 -1.81 0.00 0.00 61.98 60.55 2rkj s VAL 314 Cb -0.15 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 2rkj s VAL 314 CO 0.10 -0.15 1.17 -2.16 -0.31 0.00 0.00 175.10 173.74 2rkj s PRO 315 N -3.91 2.88 -0.42 4.82 0.04 -1.26 -3.42 135.00 133.73 2rkj s PRO 315 Ca 0.72 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 63.18 2rkj s PRO 315 Cb -0.27 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2rkj s PRO 315 CO 0.43 -1.25 1.02 -1.17 0.04 0.00 0.00 177.00 176.07 2rkj s LEU 316 N -4.35 3.87 0.37 -3.56 2.96 -1.26 -4.80 118.68 111.91 2rkj s LEU 316 Ca 0.74 0.52 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 2rkj s LEU 316 Cb -0.27 -3.39 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 2rkj s LEU 316 CO 0.35 -1.03 0.54 -0.76 -1.32 0.00 0.00 176.35 174.13 2rkj s LEU 317 N 3.89 3.87 0.25 -0.68 2.01 -1.26 -5.03 118.68 121.72 2rkj s LEU 317 Ca 0.42 0.03 -0.10 0.00 0.01 0.00 0.00 54.13 54.49 2rkj s LEU 317 Cb -0.10 -2.93 -0.01 0.00 0.01 0.00 0.00 46.19 43.16 2rkj s LEU 317 CO 0.24 -0.51 0.41 0.42 1.01 0.00 0.00 176.35 177.92 2rkj s THR 318 N -2.31 0.00 0.24 5.49 -4.23 -1.26 -1.59 115.64 111.98 2rkj s THR 318 Ca 0.45 -1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 2rkj s THR 318 Cb -0.10 -2.31 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 2rkj s THR 318 CO 0.34 0.00 0.76 1.51 -0.54 0.00 0.00 174.62 176.69 2rkj s ASP 319 N -3.07 7.09 0.29 3.99 1.47 -1.00 -4.80 116.67 120.64 2rkj s ASP 319 Ca 0.26 1.48 0.19 0.00 1.18 0.00 0.00 52.55 55.66 2rkj s ASP 319 Cb 0.01 -2.44 0.66 0.00 -0.34 0.00 0.00 42.92 40.80 2rkj s ASP 319 CO 0.11 0.01 0.71 -0.24 0.68 0.00 0.00 175.17 176.43 2rkj n SER 320 N 0.65 0.00 0.00 2.11 2.88 -1.26 -2.72 113.62 115.28 2rkj n SER 320 Ca -0.01 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2rkj n SER 320 Cb 0.51 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2rkj n SER 320 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2rkj n SER 321 N -2.60 0.00 0.00 -3.46 2.88 -1.26 -5.06 113.62 104.12 2rkj n SER 321 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2rkj n SER 321 Cb 0.88 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 2rkj n SER 321 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rkj n GLY 322 N 3.03 0.08 3.65 0.46 0.00 -1.10 -5.11 105.19 106.19 2rkj n GLY 322 Ca 0.00 -0.04 -0.51 0.00 0.00 0.00 0.00 46.02 45.47 2rkj n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkj n ALA 323 N -0.80 0.09 -0.86 4.61 0.00 -1.26 -4.71 120.51 117.58 2rkj n ALA 323 Ca 0.00 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 2rkj n ALA 323 Cb 0.00 -2.24 0.10 0.00 0.00 0.00 0.00 19.45 17.30 2rkj n ALA 323 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2rkj n LYS 324 N 3.91 -0.41 -2.74 0.00 0.00 -1.26 -2.38 118.16 115.28 2rkj n LYS 324 Ca 0.20 -0.10 -0.40 0.00 0.00 0.00 0.00 58.31 58.01 2rkj n LYS 324 Cb 0.22 -1.48 -0.05 0.00 0.00 0.00 0.00 35.03 33.72 2rkj n LYS 324 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2rkj s PHE 325 N -2.21 3.93 0.00 5.64 5.99 -0.62 -3.58 117.98 127.13 2rkj s PHE 325 Ca 0.49 1.88 0.00 0.00 0.00 0.00 0.00 56.93 59.30 2rkj s PHE 325 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 43.02 39.87 2rkj s PHE 325 CO 0.72 0.37 0.00 0.41 -0.00 0.00 0.00 175.22 176.72 2rkj n GLY 326 N 1.72 2.97 3.87 13.12 0.00 -1.26 -4.74 105.19 120.86 2rkj n GLY 326 Ca -0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2rkj n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkj s LYS 327 N 0.00 3.87 -0.27 1.61 -0.14 -1.23 0.36 119.74 123.94 2rkj s LYS 327 Ca 0.00 0.49 -0.04 0.00 -1.36 0.00 0.00 55.97 55.06 2rkj s LYS 327 Cb 0.00 -2.47 0.10 0.00 -1.68 0.00 0.00 37.83 33.78 2rkj s LYS 327 CO 0.00 0.13 0.15 0.45 -0.76 0.00 0.00 175.35 175.32 2rkj s SER 328 N -2.61 3.08 0.00 2.83 0.15 0.31 -4.77 113.70 112.69 2rkj s SER 328 Ca 0.51 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2rkj s SER 328 Cb -0.10 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2rkj s SER 328 CO 0.23 -0.42 0.00 0.00 1.20 0.00 0.00 173.24 174.25 2rkj n ALA 329 N 5.26 0.00 -0.43 5.45 0.00 -1.26 -3.54 120.51 125.99 2rkj n ALA 329 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2rkj n ALA 329 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2rkj n ALA 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkj n GLY 330 N 0.00 -0.29 0.00 0.00 0.00 -1.26 -5.12 105.19 98.52 2rkj n GLY 330 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2rkj n GLY 330 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2rkj n ASN 331 N -1.85 0.00 -3.19 1.61 4.13 -1.23 -4.95 115.26 109.77 2rkj n ASN 331 Ca 0.00 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.09 2rkj n ASN 331 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2rkj n ASN 331 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rkj s ALA 332 N -3.12 1.16 -1.52 5.41 0.00 -1.26 -0.53 121.76 121.91 2rkj s ALA 332 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 51.96 50.13 2rkj s ALA 332 Cb 0.00 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.36 2rkj s ALA 332 CO 0.00 -0.75 2.66 -0.89 0.00 0.00 0.00 175.76 176.78 2rkj n ILE 333 N -0.61 4.37 -0.91 0.00 -0.00 0.16 -4.69 119.36 117.69 2rkj n ILE 333 Ca 0.03 -3.12 -0.30 0.00 -0.00 0.00 0.00 62.75 59.36 2rkj n ILE 333 Cb 0.62 -2.49 0.04 0.00 -0.00 0.00 0.00 39.64 37.80 2rkj n ILE 333 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 176.55 177.34 2rkj n TRP 334 N 3.63 -1.32 -0.04 1.39 7.02 -1.26 -2.97 117.44 123.88 2rkj n TRP 334 Ca 0.69 0.62 -0.05 0.00 -1.02 0.00 0.00 57.50 57.74 2rkj n TRP 334 Cb 0.27 -1.39 -0.06 0.00 -2.42 0.00 0.00 31.31 27.70 2rkj n TRP 334 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2rkj n LEU 335 N 2.88 0.58 -4.65 -0.99 4.77 -1.01 -4.66 117.00 113.93 2rkj n LEU 335 Ca -0.01 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 2rkj n LEU 335 Cb 0.58 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 2rkj n LEU 335 CO 0.34 0.30 1.65 -0.62 -1.33 0.00 0.00 177.39 177.73 2rkj s ASP 336 N -4.21 6.29 0.22 -1.43 2.15 -1.26 -4.89 116.67 113.54 2rkj s ASP 336 Ca -0.06 2.56 -0.07 0.00 0.43 0.00 0.00 52.55 55.41 2rkj s ASP 336 Cb 0.03 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 40.47 2rkj s ASP 336 CO 0.32 -1.20 1.75 1.55 -0.17 0.00 0.00 175.17 177.42 2rkj h PRO 337 N 11.33 0.48 -1.56 4.34 0.13 -1.94 -0.82 132.00 143.96 2rkj h PRO 337 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2rkj h PRO 337 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2rkj h PRO 337 CO 0.94 0.32 0.00 0.66 -0.23 0.00 0.00 178.00 179.69 2rkj n TYR 338 N -4.95 0.00 -1.79 1.56 4.01 -1.26 -2.28 117.16 112.46 2rkj n TYR 338 Ca 0.11 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 2rkj n TYR 338 Cb 0.31 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2rkj n TYR 338 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2rkj n GLN 339 N 1.06 0.00 -2.69 -0.72 6.02 -0.43 -5.01 117.38 115.61 2rkj n GLN 339 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2rkj n GLN 339 Cb 0.49 -0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.78 2rkj n GLN 339 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2rkj s THR 340 N 0.00 -0.36 0.31 5.09 2.01 -0.54 -4.73 115.64 117.43 2rkj s THR 340 Ca 0.00 -0.35 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 2rkj s THR 340 Cb 0.00 0.00 -0.16 0.00 0.01 0.00 0.00 72.50 72.35 2rkj s THR 340 CO 0.00 0.00 0.42 -0.24 -0.69 0.00 0.00 174.62 174.11 2rkj n SER 341 N 2.68 -1.53 -0.32 3.53 2.88 -1.12 -4.44 113.62 115.31 2rkj n SER 341 Ca 0.13 0.99 0.20 0.00 -1.33 0.00 0.00 58.87 58.86 2rkj n SER 341 Cb 0.63 -0.98 0.40 0.00 -0.75 0.00 0.00 64.21 63.51 2rkj n SER 341 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2rkj h VAL 342 N 0.82 0.25 0.27 2.46 -1.51 -1.95 0.10 116.25 116.71 2rkj h VAL 342 Ca -0.34 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 2rkj h VAL 342 Cb 1.43 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2rkj h VAL 342 CO 0.53 0.04 -0.25 0.15 -1.23 0.00 0.00 177.57 176.81 2rkj h PHE 343 N 0.23 -0.70 -1.05 5.19 3.57 -1.89 -0.72 116.94 121.57 2rkj h PHE 343 Ca 0.67 0.00 0.29 0.00 3.53 0.00 0.00 57.97 62.46 2rkj h PHE 343 Cb 1.48 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 40.37 2rkj h PHE 343 CO -0.14 -0.34 0.64 -0.44 -2.23 0.00 0.00 178.31 175.79 2rkj h ASP 344 N -0.52 0.52 0.00 0.41 3.32 -1.19 1.00 116.42 119.96 2rkj h ASP 344 Ca -0.03 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2rkj h ASP 344 Cb 0.45 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2rkj h ASP 344 CO -0.02 0.00 0.00 0.33 -1.72 0.00 0.00 179.24 177.83 2rkj n PHE 345 N -4.84 0.00 -0.52 4.55 7.35 -0.12 -1.24 117.46 122.64 2rkj n PHE 345 Ca 0.29 0.00 0.41 0.00 -0.76 0.00 0.00 57.45 57.39 2rkj n PHE 345 Cb 0.92 -0.45 0.64 0.00 0.35 0.00 0.00 39.48 40.95 2rkj n PHE 345 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 2rkj n TYR 346 N -1.95 0.26 0.00 -5.13 9.36 0.05 -1.78 117.16 117.97 2rkj n TYR 346 Ca 0.00 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.49 2rkj n TYR 346 Cb 0.00 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.03 2rkj n TYR 346 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2rkj n GLY 347 N -1.63 -2.46 0.18 2.98 0.00 0.13 -1.65 105.19 102.74 2rkj n GLY 347 Ca 0.36 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.44 2rkj n GLY 347 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2rkj h TYR 348 N 0.00 0.00 0.00 1.61 5.03 -0.80 0.29 116.97 123.11 2rkj h TYR 348 Ca 0.00 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.13 2rkj h TYR 348 Cb 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 2rkj h TYR 348 CO 0.17 0.00 -1.12 1.19 -1.32 0.00 0.00 178.16 177.07 2rkj n PHE 349 N -2.05 0.97 0.30 -3.82 0.99 -1.21 -3.92 117.46 108.72 2rkj n PHE 349 Ca -0.01 0.42 0.14 0.00 -0.00 0.00 0.00 57.45 58.00 2rkj n PHE 349 Cb 0.45 -1.02 0.66 0.00 -1.00 0.00 0.00 39.48 38.57 2rkj n PHE 349 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 2rkj h VAL 350 N -1.00 0.00 0.53 -4.37 3.04 -0.04 -2.94 116.25 111.47 2rkj h VAL 350 Ca -0.28 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 2rkj h VAL 350 Cb 1.12 0.92 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 2rkj h VAL 350 CO -0.17 0.00 -0.26 -0.09 -1.01 0.00 0.00 177.57 176.05 2rkj h ARG 351 N 0.00 -0.69 -5.63 4.17 2.43 -0.64 -3.45 114.38 110.57 2rkj h ARG 351 Ca 0.00 0.05 -0.75 0.00 -0.81 0.00 0.00 59.98 58.47 2rkj h ARG 351 Cb 0.23 0.16 0.04 0.00 -0.42 0.00 0.00 29.97 29.98 2rkj h ARG 351 CO 0.00 -0.39 0.12 0.54 -1.51 0.00 0.00 179.97 178.73 2rkj n ARG 352 N -5.33 0.00 -1.14 0.20 5.12 -1.11 -4.93 116.66 109.47 2rkj n ARG 352 Ca -0.12 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.50 2rkj n ARG 352 Cb 0.32 -1.41 0.24 0.00 -1.16 0.00 0.00 32.46 30.46 2rkj n ARG 352 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2rkj s SER 353 N 0.31 0.89 0.46 0.55 1.04 -1.26 -4.78 113.70 110.90 2rkj s SER 353 Ca 0.87 0.54 0.29 0.00 0.48 0.00 0.00 55.95 58.13 2rkj s SER 353 Cb -1.21 -0.71 1.06 0.00 0.10 0.00 0.00 66.02 65.25 2rkj s SER 353 CO 0.56 -4.13 1.85 0.44 0.98 0.00 0.00 173.24 172.94 2rkj h ASP 354 N -2.59 0.00 -0.54 7.02 3.45 -1.97 -2.21 116.42 119.59 2rkj h ASP 354 Ca -0.44 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.99 2rkj h ASP 354 Cb 1.28 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.03 2rkj h ASP 354 CO 0.31 0.00 0.21 -0.61 -1.57 0.00 0.00 179.24 177.58 2rkj h GLN 355 N 0.00 0.82 0.00 3.56 4.15 -2.02 -3.26 115.11 118.35 2rkj h GLN 355 Ca 0.00 -0.15 -0.23 0.00 0.77 0.00 0.00 58.65 59.04 2rkj h GLN 355 Cb 0.60 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.12 2rkj h GLN 355 CO 0.00 0.72 -2.05 -0.85 -1.93 0.00 0.00 178.83 174.72 2rkj n GLU 356 N -4.51 0.66 -0.62 1.69 0.28 -1.22 -4.47 120.64 112.46 2rkj n GLU 356 Ca 0.02 0.01 0.49 0.00 -0.16 0.00 0.00 57.16 57.52 2rkj n GLU 356 Cb 0.17 -1.60 0.77 0.00 1.43 0.00 0.00 31.44 32.21 2rkj n GLU 356 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 2rkj h VAL 357 N 0.00 0.01 0.08 3.84 3.04 -1.44 0.47 116.25 122.25 2rkj h VAL 357 Ca -0.32 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2rkj h VAL 357 Cb 1.79 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2rkj h VAL 357 CO 0.03 0.00 -0.04 -0.08 -1.01 0.00 0.00 177.57 176.47 2rkj h GLU 358 N 0.00 -0.10 -0.83 4.17 4.57 -1.78 -0.71 114.58 119.90 2rkj h GLU 358 Ca 0.92 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 59.24 2rkj h GLU 358 Cb 3.43 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 31.98 2rkj h GLU 358 CO -0.18 -0.07 0.54 -0.91 -1.18 0.00 0.00 179.01 177.21 2rkj h ASN 359 N -0.16 0.58 0.82 1.04 2.35 -1.48 -1.28 115.58 117.46 2rkj h ASN 359 Ca -0.01 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2rkj h ASN 359 Cb 0.08 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2rkj h ASN 359 CO 0.02 0.30 -0.36 0.18 -1.65 0.00 0.00 177.43 175.92 2rkj n LEU 360 N -4.53 0.47 0.12 1.61 4.77 0.02 -3.13 117.00 116.33 2rkj n LEU 360 Ca 0.16 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 56.15 2rkj n LEU 360 Cb 0.46 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 41.11 2rkj n LEU 360 CO 0.31 0.01 -0.16 0.25 -1.33 0.00 0.00 177.39 176.48 2rkj h LEU 361 N 0.00 0.85 -1.28 2.23 5.85 0.09 -3.08 115.31 119.97 2rkj h LEU 361 Ca 0.00 -0.85 -0.01 0.00 0.84 0.00 0.00 57.88 57.85 2rkj h LEU 361 Cb 0.59 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2rkj h LEU 361 CO 0.00 1.66 -0.06 0.11 -0.34 0.00 0.00 178.44 179.81 2rkj h LYS 362 N 0.20 0.00 0.21 1.25 1.57 -1.56 -3.16 116.57 115.08 2rkj h LYS 362 Ca -0.22 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.22 2rkj h LYS 362 Cb 2.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.39 2rkj h LYS 362 CO 0.26 0.06 -1.61 -0.07 -0.57 0.00 0.00 179.45 177.52 2rkj h LEU 363 N 0.00 0.69 -3.09 2.94 3.38 -1.55 -3.41 115.31 114.27 2rkj h LEU 363 Ca -0.00 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.07 2rkj h LEU 363 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2rkj h LEU 363 CO 0.01 1.72 -0.17 0.49 0.09 0.00 0.00 178.44 180.57 2rkj n PHE 364 N -3.63 0.29 -4.22 1.13 3.01 -1.17 -4.95 117.46 107.92 2rkj n PHE 364 Ca -0.20 -1.23 -0.20 0.00 1.01 0.00 0.00 57.45 56.83 2rkj n PHE 364 Cb 1.09 -0.25 -0.12 0.00 -0.01 0.00 0.00 39.48 40.18 2rkj n PHE 364 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2rkj s THR 365 N -3.04 1.34 -0.94 4.37 -4.23 -1.20 -4.57 115.64 107.37 2rkj s THR 365 Ca 0.37 -1.45 -0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2rkj s THR 365 Cb 0.34 -1.30 0.24 0.00 1.34 0.00 0.00 72.50 73.12 2rkj s THR 365 CO 0.00 -0.20 2.16 0.49 -0.54 0.00 0.00 174.62 176.53 2rkj n PHE 366 N 1.09 2.59 -5.11 3.99 3.72 -1.26 -4.93 117.46 117.55 2rkj n PHE 366 Ca -0.20 -2.44 -0.32 0.00 -0.05 0.00 0.00 57.45 54.44 2rkj n PHE 366 Cb 0.54 -1.36 -0.17 0.00 -0.94 0.00 0.00 39.48 37.55 2rkj n PHE 366 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2rkj s MET 367 N -3.15 3.00 -0.03 -1.08 1.75 -1.26 -5.04 119.30 113.48 2rkj s MET 367 Ca 0.49 -0.86 -0.36 0.00 -1.25 0.00 0.00 55.69 53.71 2rkj s MET 367 Cb 0.29 -2.29 -0.14 0.00 2.84 0.00 0.00 34.83 35.53 2rkj s MET 367 CO -0.22 0.14 1.64 -2.30 -0.65 0.00 0.00 175.02 173.64 2rkj n PRO 368 N 3.62 1.67 -0.01 4.11 -0.02 -1.26 -4.66 135.00 138.44 2rkj n PRO 368 Ca -0.19 0.61 0.22 0.00 -2.02 0.00 0.00 63.50 62.11 2rkj n PRO 368 Cb 0.53 -2.34 0.54 0.00 -0.02 0.00 0.00 33.50 32.20 2rkj n PRO 368 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2rkj h ILE 369 N 4.44 0.13 0.69 4.25 1.08 -1.98 0.95 117.51 127.07 2rkj h ILE 369 Ca -0.47 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 2rkj h ILE 369 Cb 1.29 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 2rkj h ILE 369 CO 0.90 0.00 -0.50 0.28 -0.69 0.00 0.00 178.15 178.13 2rkj h SER 370 N 0.00 -1.31 0.97 1.72 0.02 -2.01 -2.06 113.55 110.88 2rkj h SER 370 Ca 0.30 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 2rkj h SER 370 Cb 2.00 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 64.93 2rkj h SER 370 CO -0.00 -0.73 -0.23 -0.08 -1.14 0.00 0.00 176.83 174.65 2rkj h GLU 371 N -1.14 0.00 0.40 3.45 4.57 0.48 -3.26 114.58 119.09 2rkj h GLU 371 Ca -0.09 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2rkj h GLU 371 Cb 0.94 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 2rkj h GLU 371 CO 0.04 0.23 -0.27 0.82 -1.18 0.00 0.00 179.01 178.65 2rkj h ILE 372 N 0.00 0.44 0.00 2.32 2.04 -0.50 -1.49 117.51 120.33 2rkj h ILE 372 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2rkj h ILE 372 Cb 0.78 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2rkj h ILE 372 CO 0.03 0.00 0.00 0.74 0.00 0.00 0.00 178.15 178.92 2rkj h THR 373 N -0.65 0.00 -0.03 -0.27 2.02 -1.42 -0.32 112.91 112.23 2rkj h THR 373 Ca -0.04 -0.03 -0.24 0.00 0.77 0.00 0.00 66.41 66.87 2rkj h THR 373 Cb 0.54 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2rkj h THR 373 CO 0.03 0.00 -0.94 0.50 0.37 0.00 0.00 175.52 175.48 2rkj h LYS 374 N 0.00 0.58 0.01 6.66 1.63 -1.35 0.25 116.57 124.35 2rkj h LYS 374 Ca 0.00 -0.59 -0.21 0.00 -0.85 0.00 0.00 60.65 59.00 2rkj h LYS 374 Cb 0.03 0.16 0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2rkj h LYS 374 CO 0.00 1.20 -0.84 1.15 -3.45 0.00 0.00 179.45 177.52 2rkj h THR 375 N 0.35 1.36 -0.53 1.00 2.02 -0.84 -2.98 112.91 113.28 2rkj h THR 375 Ca -0.09 -2.18 -0.08 0.00 0.77 0.00 0.00 66.41 64.83 2rkj h THR 375 Cb 1.57 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 70.48 2rkj h THR 375 CO 0.18 0.65 0.04 0.24 0.37 0.00 0.00 175.52 177.00 2rkj h MET 376 N 0.13 0.92 0.00 6.66 2.86 -1.14 -0.07 114.93 124.29 2rkj h MET 376 Ca -0.11 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2rkj h MET 376 Cb 1.52 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2rkj h MET 376 CO 0.16 0.92 0.00 1.49 1.06 0.00 0.00 176.91 180.54 2rkj h GLU 377 N 0.80 0.00 0.12 1.72 4.81 -0.59 -0.83 114.58 120.61 2rkj h GLU 377 Ca 0.16 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.08 2rkj h GLU 377 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2rkj h GLU 377 CO 0.02 0.00 -1.61 1.49 -0.73 0.00 0.00 179.01 178.18 2rkj h GLU 378 N 0.00 0.26 -0.08 1.92 4.57 -1.30 -3.38 114.58 116.57 2rkj h GLU 378 Ca 0.00 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2rkj h GLU 378 Cb 0.41 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2rkj h GLU 378 CO 0.00 1.22 0.04 1.25 -1.18 0.00 0.00 179.01 180.33 2rkj h HIS 379 N -0.18 0.12 0.00 0.92 2.76 -0.70 -3.05 115.15 115.02 2rkj h HIS 379 Ca -0.34 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2rkj h HIS 379 Cb 1.86 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.79 2rkj h HIS 379 CO 0.11 0.21 0.03 0.44 -1.30 0.00 0.00 177.93 177.42 2rkj n ILE 380 N -4.95 1.44 -0.68 6.26 -6.64 -0.34 -0.31 119.36 114.13 2rkj n ILE 380 Ca -0.06 0.39 0.09 0.00 -1.77 0.00 0.00 62.75 61.40 2rkj n ILE 380 Cb 0.10 -1.39 0.34 0.00 -1.44 0.00 0.00 39.64 37.24 2rkj n ILE 380 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2rkj n LYS 381 N -1.35 3.75 -2.67 6.28 5.02 -1.15 -4.51 118.16 123.53 2rkj n LYS 381 Ca 0.00 -2.86 -0.04 0.00 -2.02 0.00 0.00 58.31 53.39 2rkj n LYS 381 Cb 0.03 -1.89 0.10 0.00 -0.02 0.00 0.00 35.03 33.25 2rkj n LYS 381 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2rkj n ASP 382 N 0.79 -1.29 -0.18 4.39 4.64 0.57 -5.05 116.55 120.41 2rkj n ASP 382 Ca 0.24 -1.91 -0.01 0.00 -1.38 0.00 0.00 54.79 51.74 2rkj n ASP 382 Cb 0.90 1.08 0.09 0.00 -1.04 0.00 0.00 41.12 42.15 2rkj n ASP 382 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2rkj h PRO 383 N 2.44 0.31 -0.40 -0.67 0.11 -1.71 -3.00 132.00 129.08 2rkj h PRO 383 Ca -0.29 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.89 2rkj h PRO 383 Cb 1.21 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 2rkj h PRO 383 CO -0.04 0.20 -0.25 0.77 -0.21 0.00 0.00 178.00 178.47 2rkj h SER 384 N 0.32 -0.85 0.51 -2.05 0.02 -1.97 -0.38 113.55 109.15 2rkj h SER 384 Ca 0.28 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2rkj h SER 384 Cb 0.37 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2rkj h SER 384 CO -0.32 -0.27 0.00 0.11 -1.14 0.00 0.00 176.83 175.20 2rkj h LYS 385 N -0.18 0.00 -6.23 3.45 1.79 -1.91 -3.47 116.57 110.02 2rkj h LYS 385 Ca 0.19 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.26 2rkj h LYS 385 Cb 0.48 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.20 2rkj h LYS 385 CO -0.51 0.00 -0.87 0.54 -1.08 0.00 0.00 179.45 177.53 2rkj n ARG 386 N -2.91 -1.21 0.04 3.15 1.74 -0.15 -4.90 116.66 112.42 2rkj n ARG 386 Ca -0.01 0.57 -0.03 0.00 -0.77 0.00 0.00 57.85 57.61 2rkj n ARG 386 Cb 0.18 -4.00 0.20 0.00 -1.02 0.00 0.00 32.46 27.82 2rkj n ARG 386 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2rkj h VAL 387 N -1.53 1.29 -0.10 1.55 2.07 -1.84 -2.48 116.25 115.20 2rkj h VAL 387 Ca -0.60 -1.40 -0.17 0.00 0.82 0.00 0.00 66.70 65.35 2rkj h VAL 387 Cb 1.33 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 2rkj h VAL 387 CO 0.45 0.43 -0.66 0.00 0.02 0.00 0.00 177.57 177.82 2rkj h ALA 388 N 1.30 0.68 0.00 1.67 0.00 -1.90 -2.45 119.26 118.56 2rkj h ALA 388 Ca 0.04 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 54.15 2rkj h ALA 388 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2rkj h ALA 388 CO 0.06 0.74 -0.95 1.96 0.00 0.00 0.00 179.25 181.06 2rkj h GLN 389 N 0.28 0.40 -0.05 0.00 7.50 -1.88 -1.90 115.11 119.46 2rkj h GLN 389 Ca -0.02 -0.44 -0.12 0.00 0.50 0.00 0.00 58.65 58.57 2rkj h GLN 389 Cb 1.21 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.85 2rkj h GLN 389 CO 0.11 1.11 -0.54 0.45 -1.50 0.00 0.00 178.83 178.46 2rkj h HIS 390 N 0.23 0.18 0.08 2.96 3.86 -1.45 -2.82 115.15 118.18 2rkj h HIS 390 Ca -0.08 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2rkj h HIS 390 Cb 1.59 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 30.02 2rkj h HIS 390 CO 0.06 0.65 -0.04 1.15 0.86 0.00 0.00 177.93 180.61 2rkj h THR 391 N 0.11 0.19 -1.02 2.45 2.02 -1.46 -2.86 112.91 112.35 2rkj h THR 391 Ca -0.00 -1.05 0.25 0.00 0.77 0.00 0.00 66.41 66.38 2rkj h THR 391 Cb 0.98 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 67.63 2rkj h THR 391 CO 0.08 0.06 0.62 0.25 0.37 0.00 0.00 175.52 176.90 2rkj h LEU 392 N -1.02 0.62 0.48 2.58 6.46 -1.44 0.82 115.31 123.80 2rkj h LEU 392 Ca -0.01 0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2rkj h LEU 392 Cb 0.18 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2rkj h LEU 392 CO 0.02 0.10 -0.23 0.00 -0.62 0.00 0.00 178.44 177.71 2rkj h ALA 393 N 1.70 -0.64 -1.00 1.25 0.00 -1.62 -2.88 119.26 116.07 2rkj h ALA 393 Ca 0.64 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.56 2rkj h ALA 393 Cb 1.31 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 2rkj h ALA 393 CO -0.43 -0.71 0.61 -0.09 0.00 0.00 0.00 179.25 178.64 2rkj h ARG 394 N -0.94 0.65 0.49 0.00 2.43 -0.84 -2.33 114.38 113.83 2rkj h ARG 394 Ca -0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2rkj h ARG 394 Cb 0.59 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2rkj h ARG 394 CO 0.11 0.43 -0.24 0.93 -1.51 0.00 0.00 179.97 179.69 2rkj h GLU 395 N 0.67 -0.64 0.00 0.20 4.39 -0.86 -2.66 114.58 115.68 2rkj h GLU 395 Ca 0.58 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.27 2rkj h GLU 395 Cb 1.03 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2rkj h GLU 395 CO -0.36 -0.43 -0.22 0.28 -1.16 0.00 0.00 179.01 177.12 2rkj h VAL 396 N -0.66 0.81 -0.01 3.13 2.07 -1.24 -2.24 116.25 118.11 2rkj h VAL 396 Ca -0.07 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 2rkj h VAL 396 Cb 0.51 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2rkj h VAL 396 CO 0.10 0.22 -0.49 0.58 0.02 0.00 0.00 177.57 178.01 2rkj h VAL 397 N 0.00 1.35 0.01 2.57 2.07 -1.35 -2.78 116.25 118.11 2rkj h VAL 397 Ca -0.00 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 2rkj h VAL 397 Cb 0.52 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2rkj h VAL 397 CO 0.03 0.48 -0.00 0.74 0.02 0.00 0.00 177.57 178.83 2rkj h THR 398 N 0.01 0.00 -0.82 2.57 2.02 -1.05 0.61 112.91 116.26 2rkj h THR 398 Ca -0.00 -0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 2rkj h THR 398 Cb 0.86 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.12 2rkj h THR 398 CO 0.06 0.00 -0.17 -0.11 0.37 0.00 0.00 175.52 175.68 2rkj n LEU 399 N -2.04 -0.26 0.06 2.58 7.94 -1.13 0.41 117.00 124.57 2rkj n LEU 399 Ca -0.00 1.40 -0.18 0.00 -1.11 0.00 0.00 56.01 56.12 2rkj n LEU 399 Cb 0.00 -0.44 -0.14 0.00 0.53 0.00 0.00 43.42 43.37 2rkj n LEU 399 CO 0.00 -1.36 -0.43 0.58 -1.11 0.00 0.00 177.39 175.07 2rkj h VAL 400 N 0.00 1.04 -0.12 1.96 2.07 -1.55 -3.39 116.25 116.25 2rkj h VAL 400 Ca 0.41 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2rkj h VAL 400 Cb 0.67 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2rkj h VAL 400 CO -0.83 0.82 0.00 1.41 0.02 0.00 0.00 177.57 178.99 2rkj n HIS 401 N -3.47 0.33 -1.14 1.57 8.25 0.21 -4.89 115.22 116.09 2rkj n HIS 401 Ca -0.20 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 2rkj n HIS 401 Cb 1.05 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 32.01 2rkj n HIS 401 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rkj n GLY 402 N -0.69 -3.79 0.20 -1.41 0.00 1.38 -4.28 105.19 96.59 2rkj n GLY 402 Ca 0.14 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 2rkj n GLY 402 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2rkj h LYS 403 N 0.28 -0.22 -0.97 1.61 2.10 -1.87 -2.37 116.57 115.13 2rkj h LYS 403 Ca 0.00 0.02 0.10 0.00 -2.00 0.00 0.00 60.65 58.77 2rkj h LYS 403 Cb 0.59 0.05 -0.13 0.00 -0.90 0.00 0.00 32.23 31.85 2rkj h LYS 403 CO 0.00 -0.15 -0.52 1.04 -2.00 0.00 0.00 179.45 177.82 2rkj n GLN 404 N -5.29 -0.38 0.02 0.07 3.00 -1.26 -0.69 117.38 112.85 2rkj n GLN 404 Ca -0.04 1.47 -0.01 0.00 -0.01 0.00 0.00 57.00 58.41 2rkj n GLN 404 Cb 0.21 -2.16 -0.00 0.00 0.00 0.00 0.00 30.24 28.28 2rkj n GLN 404 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2rkj h GLU 405 N 0.00 -0.05 -1.22 -1.09 4.22 -1.75 -3.13 114.58 111.55 2rkj h GLU 405 Ca 0.20 0.00 0.36 0.00 0.08 0.00 0.00 59.36 60.00 2rkj h GLU 405 Cb 0.44 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2rkj h GLU 405 CO -0.92 -0.03 0.87 0.00 -2.18 0.00 0.00 179.01 176.75 2rkj n ALA 406 N -2.05 1.17 -0.00 2.92 0.00 -0.90 0.30 120.51 121.95 2rkj n ALA 406 Ca -0.01 0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 2rkj n ALA 406 Cb 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 2rkj n ALA 406 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2rkj h SER 407 N 0.00 0.38 -0.23 0.00 4.64 -0.95 -3.06 113.55 114.34 2rkj h SER 407 Ca 0.59 -0.82 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2rkj h SER 407 Cb 2.33 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 64.29 2rkj h SER 407 CO -0.02 1.16 -0.07 0.00 -0.87 0.00 0.00 176.83 177.03 2rkj h ALA 408 N 0.24 1.23 0.00 5.18 0.00 0.47 -2.30 119.26 124.08 2rkj h ALA 408 Ca -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2rkj h ALA 408 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2rkj h ALA 408 CO 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.82 2rkj h ALA 409 N 1.39 1.10 -0.01 0.00 0.00 -1.09 -1.47 119.26 119.18 2rkj h ALA 409 Ca 0.11 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2rkj h ALA 409 Cb 0.45 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2rkj h ALA 409 CO 0.02 0.04 -0.99 1.49 0.00 0.00 0.00 179.25 179.81 2rkj h GLU 410 N 0.00 0.61 -0.57 0.00 4.81 -1.30 -3.10 114.58 115.03 2rkj h GLU 410 Ca -0.00 -0.64 0.04 0.00 -0.13 0.00 0.00 59.36 58.63 2rkj h GLU 410 Cb 0.24 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2rkj h GLU 410 CO 0.00 1.25 0.32 -0.44 -0.73 0.00 0.00 179.01 179.41 2rkj h ASP 411 N 0.35 0.48 0.08 1.04 5.19 -1.23 0.61 116.42 122.94 2rkj h ASP 411 Ca -0.11 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2rkj h ASP 411 Cb 1.64 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 41.07 2rkj h ASP 411 CO 0.19 0.33 -0.05 1.56 -3.12 0.00 0.00 179.24 178.14 2rkj h GLN 412 N 0.61 -0.12 0.00 3.56 4.20 -1.54 -2.95 115.11 118.87 2rkj h GLN 412 Ca 0.25 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2rkj h GLN 412 Cb 0.11 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2rkj h GLN 412 CO -0.15 -0.08 0.00 1.58 -0.67 0.00 0.00 178.83 179.51 2rkj n HIS 413 N -2.48 0.59 -1.03 2.96 -0.00 -1.17 -1.76 115.22 112.34 2rkj n HIS 413 Ca -0.02 0.29 0.04 0.00 0.46 0.00 0.00 57.72 58.50 2rkj n HIS 413 Cb 0.05 -0.96 0.30 0.00 -0.12 0.00 0.00 29.99 29.26 2rkj n HIS 413 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2rkj n ARG 414 N -2.09 3.40 -2.32 1.57 0.63 0.20 -5.02 116.66 113.03 2rkj n ARG 414 Ca -0.00 -3.00 -0.11 0.00 -0.92 0.00 0.00 57.85 53.83 2rkj n ARG 414 Cb 0.08 -2.01 0.01 0.00 0.45 0.00 0.00 32.46 30.99 2rkj n ARG 414 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 2rkj n MET 415 N -0.26 1.04 0.00 -0.14 1.56 -0.72 -4.98 117.12 113.62 2rkj n MET 415 Ca 0.28 -1.46 0.00 0.00 -0.27 0.00 0.00 57.70 56.24 2rkj n MET 415 Cb 1.07 0.08 0.00 0.00 2.15 0.00 0.00 33.22 36.52 2rkj n MET 415 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91