#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iei s ILE 13 N 0.00 5.26 0.47 -0.39 1.01 -1.26 -4.99 121.20 121.31 2iei s ILE 13 Ca 0.00 0.42 0.16 0.00 0.00 0.00 0.00 60.65 61.24 2iei s ILE 13 Cb 0.00 -3.62 0.33 0.00 0.01 0.00 0.00 42.46 39.18 2iei s ILE 13 CO 0.00 0.26 2.02 0.77 0.00 0.00 0.00 174.94 177.99 2iei h SER 14 N 7.73 0.22 0.46 3.58 4.64 -1.98 -2.13 113.55 126.07 2iei h SER 14 Ca -0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 2iei h SER 14 Cb 1.17 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2iei h SER 14 CO 0.66 0.14 -0.17 1.62 -0.87 0.00 0.00 176.83 178.20 2iei h VAL 15 N 0.25 0.67 -0.31 0.95 3.04 -1.95 -2.29 116.25 116.61 2iei h VAL 15 Ca 0.21 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2iei h VAL 15 Cb 0.50 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2iei h VAL 15 CO -0.04 0.17 0.00 0.54 -1.01 0.00 0.00 177.57 177.23 2iei n ARG 16 N -3.68 2.26 0.00 4.17 1.74 -0.80 -5.02 116.66 115.34 2iei n ARG 16 Ca -0.01 -1.33 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 2iei n ARG 16 Cb 0.29 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2iei n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iei n GLY 17 N 0.69 -1.78 3.91 -0.13 0.00 -0.86 -1.95 105.19 105.07 2iei n GLY 17 Ca 0.12 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2iei n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iei s LEU 18 N 0.00 4.30 -0.55 0.99 1.43 -1.26 -4.72 118.68 118.87 2iei s LEU 18 Ca 0.00 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2iei s LEU 18 Cb 0.00 -2.90 0.33 0.00 0.03 0.00 0.00 46.19 43.65 2iei s LEU 18 CO 0.00 0.15 0.88 0.00 0.23 0.00 0.00 176.35 177.60 2iei n ALA 19 N 0.15 4.10 -1.75 4.21 0.00 -1.26 -3.39 120.51 122.57 2iei n ALA 19 Ca -0.06 -4.46 -0.36 0.00 0.00 0.00 0.00 53.44 48.56 2iei n ALA 19 Cb 0.52 -0.79 0.03 0.00 0.00 0.00 0.00 19.45 19.21 2iei n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iei s GLY 20 N -3.11 2.75 0.12 0.00 0.00 -1.26 -4.82 107.32 101.00 2iei s GLY 20 Ca 0.46 1.03 -0.30 0.00 0.00 0.00 0.00 44.72 45.91 2iei s GLY 20 CO -0.11 1.43 1.59 -2.08 0.00 0.00 0.00 173.10 173.92 2iei h VAL 21 N 0.90 0.16 -0.24 1.40 2.07 -1.99 0.53 116.25 119.08 2iei h VAL 21 Ca -0.50 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 2iei h VAL 21 Cb 1.30 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2iei h VAL 21 CO 0.55 0.00 -0.46 -0.33 0.02 0.00 0.00 177.57 177.35 2iei h GLU 22 N -0.58 0.62 -0.68 1.57 4.39 -1.99 -1.93 114.58 115.97 2iei h GLU 22 Ca 0.04 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 2iei h GLU 22 Cb 0.66 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2iei h GLU 22 CO -0.31 0.95 0.11 -0.91 -1.16 0.00 0.00 179.01 177.69 2iei h ASN 23 N 0.49 1.08 -0.45 1.42 -0.26 -1.91 -2.59 115.58 113.37 2iei h ASN 23 Ca 0.03 -0.26 -0.08 0.00 -0.56 0.00 0.00 56.30 55.43 2iei h ASN 23 Cb 0.99 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 2iei h ASN 23 CO 0.09 1.07 -0.01 0.58 -1.06 0.00 0.00 177.43 178.10 2iei h VAL 24 N 1.05 1.25 -0.01 2.81 2.07 -0.67 -2.67 116.25 120.08 2iei h VAL 24 Ca 0.21 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 2iei h VAL 24 Cb 0.45 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2iei h VAL 24 CO 0.01 0.37 -0.59 0.71 0.02 0.00 0.00 177.57 178.10 2iei h THR 25 N 0.80 1.42 0.60 2.57 1.35 -1.25 -2.45 112.91 115.94 2iei h THR 25 Ca 0.15 -2.00 -0.03 0.00 -0.55 0.00 0.00 66.41 63.98 2iei h THR 25 Cb 0.49 2.07 0.01 0.00 -1.73 0.00 0.00 68.15 68.98 2iei h THR 25 CO 0.02 0.58 -0.29 -0.33 -0.25 0.00 0.00 175.52 175.25 2iei h GLU 26 N 0.03 -0.78 -0.86 4.72 4.39 -1.33 -1.74 114.58 119.01 2iei h GLU 26 Ca -0.01 0.05 0.18 0.00 0.34 0.00 0.00 59.36 59.92 2iei h GLU 26 Cb 1.05 0.18 -0.16 0.00 -0.10 0.00 0.00 28.75 29.71 2iei h GLU 26 CO 0.08 -0.47 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.19 2iei h LEU 27 N -1.08 -0.77 -0.68 1.33 4.07 -1.51 0.19 115.31 116.86 2iei h LEU 27 Ca -0.08 0.26 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 2iei h LEU 27 Cb 0.67 0.52 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 2iei h LEU 27 CO 0.14 -0.28 0.41 0.11 -1.08 0.00 0.00 178.44 177.73 2iei h LYS 28 N 0.00 0.92 -0.54 1.13 6.56 -1.41 0.35 116.57 123.59 2iei h LYS 28 Ca 0.42 -0.09 -0.12 0.00 -1.06 0.00 0.00 60.65 59.81 2iei h LYS 28 Cb 0.65 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 2iei h LYS 28 CO -0.88 0.66 -0.11 1.57 -2.06 0.00 0.00 179.45 178.63 2iei h LYS 29 N 0.93 1.03 0.00 3.15 2.10 -0.31 -2.20 116.57 121.27 2iei h LYS 29 Ca 0.24 -0.39 -0.13 0.00 -2.00 0.00 0.00 60.65 58.37 2iei h LYS 29 Cb -0.02 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.23 2iei h LYS 29 CO -0.04 1.08 -0.64 -0.91 -2.00 0.00 0.00 179.45 176.93 2iei h ASN 30 N 0.91 0.00 0.19 7.07 2.35 -0.74 -0.00 115.58 125.36 2iei h ASN 30 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2iei h ASN 30 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2iei h ASN 30 CO 0.05 0.64 -0.09 0.15 -1.65 0.00 0.00 177.43 176.52 2iei h PHE 31 N 0.00 -0.24 -0.38 1.19 3.04 -0.19 -1.22 116.94 119.14 2iei h PHE 31 Ca -0.01 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2iei h PHE 31 Cb 1.23 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.80 2iei h PHE 31 CO 0.00 -0.08 -0.21 -0.91 -2.02 0.00 0.00 178.31 175.09 2iei h ASN 32 N -0.35 0.76 -0.16 0.41 2.35 -1.32 -1.46 115.58 115.81 2iei h ASN 32 Ca -0.03 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 2iei h ASN 32 Cb 0.27 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 2iei h ASN 32 CO 0.04 0.95 -0.26 -0.09 -1.65 0.00 0.00 177.43 176.43 2iei h ARG 33 N 0.66 -0.30 -0.66 0.81 2.43 -0.98 -1.26 114.38 115.07 2iei h ARG 33 Ca 0.09 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2iei h ARG 33 Cb 0.71 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2iei h ARG 33 CO 0.05 -0.20 0.26 0.45 -1.51 0.00 0.00 179.97 179.02 2iei h HIS 34 N -0.31 1.01 -0.61 2.20 3.86 -0.99 -0.08 115.15 120.22 2iei h HIS 34 Ca 0.11 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2iei h HIS 34 Cb 0.48 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2iei h HIS 34 CO -0.37 0.80 0.40 1.25 0.86 0.00 0.00 177.93 180.87 2iei h LEU 35 N 0.93 0.66 0.15 2.43 5.85 -1.07 0.48 115.31 124.74 2iei h LEU 35 Ca 0.22 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2iei h LEU 35 Cb 0.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2iei h LEU 35 CO -0.02 0.47 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.74 2iei h HIS 36 N 0.78 -0.18 0.14 1.25 2.76 -0.84 0.37 115.15 119.42 2iei h HIS 36 Ca 0.23 -0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 58.08 2iei h HIS 36 Cb -0.02 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2iei h HIS 36 CO -0.00 -0.11 -1.63 0.74 -1.30 0.00 0.00 177.93 175.63 2iei h PHE 37 N -0.81 0.52 0.14 5.26 0.04 -1.05 -2.04 116.94 118.99 2iei h PHE 37 Ca -0.02 -0.38 -0.26 0.00 2.80 0.00 0.00 57.97 60.11 2iei h PHE 37 Cb 0.15 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.29 2iei h PHE 37 CO 0.01 1.48 -1.24 1.15 -0.60 0.00 0.00 178.31 179.11 2iei h THR 38 N 0.08 1.21 0.00 -1.55 2.02 -1.13 -3.38 112.91 110.15 2iei h THR 38 Ca -0.28 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.42 2iei h THR 38 Cb 2.04 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 71.36 2iei h THR 38 CO 0.16 0.72 -1.01 0.18 0.37 0.00 0.00 175.52 175.95 2iei n LEU 39 N -3.96 0.89 -3.56 2.58 7.99 -0.26 -5.01 117.00 115.67 2iei n LEU 39 Ca -0.21 -0.47 -0.19 0.00 -0.01 0.00 0.00 56.01 55.13 2iei n LEU 39 Cb 0.90 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 44.27 2iei n LEU 39 CO 0.46 0.22 0.02 0.52 -1.51 0.00 0.00 177.39 177.10 2iei n VAL 40 N -1.52 -5.26 -4.05 4.08 0.31 -0.77 -4.96 118.33 106.17 2iei n VAL 40 Ca 0.03 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.76 2iei n VAL 40 Cb 0.33 -4.41 -0.11 0.00 -0.91 0.00 0.00 33.84 28.74 2iei n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2iei s LYS 41 N -5.66 0.50 0.55 5.55 -0.14 0.08 -5.01 119.74 115.61 2iei s LYS 41 Ca 0.00 -0.86 0.09 0.00 -1.36 0.00 0.00 55.97 53.84 2iei s LYS 41 Cb -0.00 -0.05 0.07 0.00 -1.68 0.00 0.00 37.83 36.17 2iei s LYS 41 CO 0.77 -0.02 0.71 0.16 -0.76 0.00 0.00 175.35 176.21 2iei s ASP 42 N -1.95 5.08 0.00 2.83 1.47 -1.26 -3.91 116.67 118.92 2iei s ASP 42 Ca -0.06 -0.87 0.27 0.00 1.18 0.00 0.00 52.55 53.07 2iei s ASP 42 Cb -0.05 0.22 1.46 0.00 -0.34 0.00 0.00 42.92 44.21 2iei s ASP 42 CO -0.02 -1.24 1.95 0.54 0.68 0.00 0.00 175.17 177.07 2iei n ARG 43 N -2.13 0.55 -0.13 2.11 5.12 -1.26 -2.23 116.66 118.70 2iei n ARG 43 Ca 0.12 0.02 0.04 0.00 -1.93 0.00 0.00 57.85 56.11 2iei n ARG 43 Cb 0.62 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.53 2iei n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2iei n ASN 44 N -1.19 2.67 0.00 0.55 3.02 -1.26 -4.60 115.26 114.45 2iei n ASN 44 Ca 0.16 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 2iei n ASN 44 Cb 0.17 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2iei n ASN 44 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2iei n VAL 45 N 0.29 0.00 -2.00 2.41 3.14 -1.21 -5.10 118.33 115.87 2iei n VAL 45 Ca 0.09 -0.02 -0.42 0.00 -2.96 0.00 0.00 64.34 61.02 2iei n VAL 45 Cb 0.38 0.36 -0.03 0.00 -1.06 0.00 0.00 33.84 33.49 2iei n VAL 45 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2iei s ALA 46 N -0.27 3.67 0.64 1.55 0.00 -0.95 -4.95 121.76 121.45 2iei s ALA 46 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 2iei s ALA 46 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 2iei s ALA 46 CO 0.00 -1.03 1.04 0.95 0.00 0.00 0.00 175.76 176.73 2iei s THR 47 N 2.44 4.24 0.50 0.00 -4.23 -1.26 -4.93 115.64 112.40 2iei s THR 47 Ca 0.71 0.81 0.22 0.00 -1.18 0.00 0.00 61.69 62.25 2iei s THR 47 Cb -0.38 -3.56 0.38 0.00 1.34 0.00 0.00 72.50 70.27 2iei s THR 47 CO 0.31 -0.87 1.98 -0.65 -0.54 0.00 0.00 174.62 174.85 2iei h PRO 48 N -0.27 0.12 -0.39 3.99 0.11 -2.01 -1.21 132.00 132.34 2iei h PRO 48 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2iei h PRO 48 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2iei h PRO 48 CO 0.59 0.08 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.33 2iei h ARG 49 N 0.13 0.72 -0.75 1.05 2.43 -1.97 -2.92 114.38 113.07 2iei h ARG 49 Ca 0.27 -0.25 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 2iei h ARG 49 Cb 0.89 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 2iei h ARG 49 CO -0.03 0.84 0.39 -0.44 -1.51 0.00 0.00 179.97 179.21 2iei h ASP 50 N 0.54 0.51 -0.65 -3.80 3.32 -1.59 -1.82 116.42 112.92 2iei h ASP 50 Ca 0.11 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2iei h ASP 50 Cb 0.54 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2iei h ASP 50 CO 0.03 0.29 0.23 1.88 -1.72 0.00 0.00 179.24 179.95 2iei h TYR 51 N 0.65 1.03 -0.33 4.55 0.05 -1.43 -1.31 116.97 120.17 2iei h TYR 51 Ca 0.37 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 59.09 2iei h TYR 51 Cb 0.39 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2iei h TYR 51 CO -0.10 0.82 0.14 -0.92 -1.05 0.00 0.00 178.16 177.06 2iei h TYR 52 N 0.94 0.26 -0.73 4.88 3.20 -1.25 -2.42 116.97 121.84 2iei h TYR 52 Ca 0.21 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2iei h TYR 52 Cb 0.26 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2iei h TYR 52 CO 0.02 0.12 0.27 0.74 -1.64 0.00 0.00 178.16 177.68 2iei h PHE 53 N 0.30 1.11 -0.54 -3.82 0.04 -0.96 0.34 116.94 113.41 2iei h PHE 53 Ca 0.15 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2iei h PHE 53 Cb 0.09 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 2iei h PHE 53 CO -0.12 0.86 0.25 0.00 -0.60 0.00 0.00 178.31 178.70 2iei h ALA 54 N 1.23 0.69 -0.21 2.45 0.00 -1.14 0.89 119.26 123.17 2iei h ALA 54 Ca 0.24 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2iei h ALA 54 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2iei h ALA 54 CO -0.02 0.27 -0.01 1.25 0.00 0.00 0.00 179.25 180.73 2iei h LEU 55 N 0.72 0.38 -0.61 0.00 5.85 -1.13 -0.13 115.31 120.40 2iei h LEU 55 Ca 0.18 -0.33 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2iei h LEU 55 Cb 0.13 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 2iei h LEU 55 CO -0.02 0.61 -0.02 0.00 -0.34 0.00 0.00 178.44 178.67 2iei h ALA 56 N 0.78 0.57 -0.34 1.25 0.00 -0.14 0.12 119.26 121.49 2iei h ALA 56 Ca 0.06 0.20 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 2iei h ALA 56 Cb 0.43 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2iei h ALA 56 CO 0.01 -0.40 -0.38 0.45 0.00 0.00 0.00 179.25 178.93 2iei h HIS 57 N 0.09 0.97 -0.54 0.00 3.86 -0.78 -1.35 115.15 117.39 2iei h HIS 57 Ca 0.32 -0.29 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2iei h HIS 57 Cb 0.51 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 2iei h HIS 57 CO -0.39 1.07 0.30 1.15 0.86 0.00 0.00 177.93 180.92 2iei h THR 58 N 0.67 1.00 -0.22 2.45 2.02 -0.12 -2.06 112.91 116.66 2iei h THR 58 Ca 0.06 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 2iei h THR 58 Cb 0.95 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2iei h THR 58 CO 0.09 0.11 -0.29 0.58 0.37 0.00 0.00 175.52 176.38 2iei h VAL 59 N 0.59 1.32 0.00 3.16 2.07 -0.78 -3.22 116.25 119.40 2iei h VAL 59 Ca 0.23 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2iei h VAL 59 Cb 0.09 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2iei h VAL 59 CO -0.13 0.46 -0.06 0.08 0.02 0.00 0.00 177.57 177.94 2iei h ARG 60 N 0.29 0.00 -0.19 1.57 0.11 -1.01 -1.48 114.38 113.67 2iei h ARG 60 Ca 0.03 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.06 2iei h ARG 60 Cb 0.86 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 2iei h ARG 60 CO 0.07 0.06 -0.10 -0.44 0.10 0.00 0.00 179.97 179.66 2iei h ASP 61 N 0.00 0.27 0.83 0.08 3.32 -1.38 -2.53 116.42 117.01 2iei h ASP 61 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2iei h ASP 61 Cb 0.28 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2iei h ASP 61 CO 0.01 0.41 0.00 1.41 -1.72 0.00 0.00 179.24 179.35 2iei n HIS 62 N -4.28 0.01 0.01 4.55 8.25 -0.56 -3.05 115.22 120.14 2iei n HIS 62 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2iei n HIS 62 Cb 0.26 -0.50 -0.14 0.00 1.12 0.00 0.00 29.99 30.73 2iei n HIS 62 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2iei h LEU 63 N 0.00 0.04 0.33 2.41 5.85 -1.52 -3.42 115.31 118.99 2iei h LEU 63 Ca 0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2iei h LEU 63 Cb 0.41 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2iei h LEU 63 CO 0.00 1.06 -0.48 0.58 -0.34 0.00 0.00 178.44 179.26 2iei h VAL 64 N 0.01 0.06 -0.17 1.05 2.07 -1.52 -1.33 116.25 116.41 2iei h VAL 64 Ca -0.22 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2iei h VAL 64 Cb 1.95 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 2iei h VAL 64 CO 0.10 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 178.70 2iei h GLY 65 N -0.86 -0.17 1.23 2.17 0.00 -1.81 -1.60 103.07 102.03 2iei h GLY 65 Ca -0.03 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 2iei h GLY 65 CO -0.15 -0.19 0.19 3.21 0.00 0.00 0.00 176.54 179.60 2iei h ARG 66 N -0.25 0.97 0.29 4.80 3.08 -1.80 -1.59 114.38 119.87 2iei h ARG 66 Ca 0.11 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2iei h ARG 66 Cb 0.42 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2iei h ARG 66 CO -0.32 0.83 -0.18 2.35 -1.07 0.00 0.00 179.97 181.59 2iei h TRP 67 N 0.93 -0.47 -0.48 3.04 7.01 -0.69 0.63 115.95 125.93 2iei h TRP 67 Ca 0.21 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.26 2iei h TRP 67 Cb 0.28 0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.45 2iei h TRP 67 CO 0.02 -0.28 0.20 0.82 -2.79 0.00 0.00 178.44 176.41 2iei h ILE 68 N -0.45 0.89 -0.39 2.65 2.04 -1.18 -2.51 117.51 118.56 2iei h ILE 68 Ca -0.03 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 2iei h ILE 68 Cb 0.37 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2iei h ILE 68 CO 0.03 0.07 -0.16 0.03 0.00 0.00 0.00 178.15 178.12 2iei h ARG 69 N 0.40 0.80 0.07 2.37 3.08 -1.02 -2.25 114.38 117.83 2iei h ARG 69 Ca 0.22 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 59.96 2iei h ARG 69 Cb 0.19 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2iei h ARG 69 CO -0.20 0.96 -0.31 1.15 -1.07 0.00 0.00 179.97 180.51 2iei h THR 70 N 0.60 0.33 0.00 2.04 2.02 0.47 0.22 112.91 118.59 2iei h THR 70 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2iei h THR 70 Cb 0.71 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2iei h THR 70 CO 0.05 0.00 -0.38 1.56 0.37 0.00 0.00 175.52 177.13 2iei h GLN 71 N -0.50 0.00 0.00 6.66 1.08 -1.48 -1.31 115.11 119.56 2iei h GLN 71 Ca 0.04 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.12 2iei h GLN 71 Cb 0.56 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2iei h GLN 71 CO -0.21 0.38 -0.59 1.96 -0.95 0.00 0.00 178.83 179.41 2iei h GLN 72 N 0.00 0.00 -0.49 1.46 7.50 -1.13 -2.82 115.11 119.63 2iei h GLN 72 Ca -0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.02 2iei h GLN 72 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 2iei h GLN 72 CO 0.05 0.59 -0.18 1.25 -1.50 0.00 0.00 178.83 179.04 2iei h HIS 73 N 0.00 1.11 -0.28 2.96 -0.00 0.56 -2.88 115.15 116.62 2iei h HIS 73 Ca -0.01 -0.25 -0.12 0.00 -0.00 0.00 0.00 60.37 59.99 2iei h HIS 73 Cb 1.10 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 2iei h HIS 73 CO 0.00 1.07 -0.32 1.88 -0.00 0.00 0.00 177.93 180.55 2iei h TYR 74 N 0.85 0.69 -0.60 5.26 0.05 -1.36 -1.97 116.97 119.89 2iei h TYR 74 Ca 0.12 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2iei h TYR 74 Cb 0.75 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.30 2iei h TYR 74 CO 0.05 0.85 0.33 -0.92 -1.05 0.00 0.00 178.16 177.42 2iei h TYR 75 N 0.51 0.80 0.05 4.88 3.20 -1.42 0.13 116.97 125.12 2iei h TYR 75 Ca 0.06 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2iei h TYR 75 Cb 0.81 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2iei h TYR 75 CO 0.03 0.56 -0.43 1.49 -1.64 0.00 0.00 178.16 178.17 2iei h GLU 76 N 0.84 0.11 0.00 1.82 4.57 -1.39 -3.31 114.58 117.21 2iei h GLU 76 Ca 0.21 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2iei h GLU 76 Cb 0.02 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2iei h GLU 76 CO -0.04 1.09 -0.08 0.87 -1.18 0.00 0.00 179.01 179.67 2iei h LYS 77 N -0.76 0.00 -6.53 1.92 1.79 -1.39 -3.48 116.57 108.12 2iei h LYS 77 Ca -0.09 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.00 2iei h LYS 77 Cb 1.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2iei h LYS 77 CO 0.04 0.08 -0.78 -3.47 -1.08 0.00 0.00 179.45 174.24 2iei n ASP 78 N -3.17 -3.26 -4.71 0.86 2.03 0.45 -4.97 116.55 103.78 2iei n ASP 78 Ca 0.02 -0.78 -0.29 0.00 0.52 0.00 0.00 54.79 54.26 2iei n ASP 78 Cb 0.43 -1.13 0.11 0.00 -0.72 0.00 0.00 41.12 39.81 2iei n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2iei s PRO 79 N -4.96 1.63 0.09 -0.67 0.04 -1.25 -5.01 135.00 124.87 2iei s PRO 79 Ca 0.11 -0.04 -0.31 0.00 0.04 0.00 0.00 61.00 60.80 2iei s PRO 79 Cb -0.06 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2iei s PRO 79 CO 0.66 -1.79 1.43 0.21 0.04 0.00 0.00 177.00 177.55 2iei s LYS 80 N -5.64 4.29 -0.10 4.56 2.20 -1.26 -4.96 119.74 118.83 2iei s LYS 80 Ca 0.65 2.10 -0.16 0.00 -0.36 0.00 0.00 55.97 58.20 2iei s LYS 80 Cb -0.09 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2iei s LYS 80 CO 0.50 -0.51 0.41 1.03 -0.36 0.00 0.00 175.35 176.42 2iei s ARG 81 N 1.52 4.21 -0.24 4.03 0.52 0.02 -4.57 118.95 124.44 2iei s ARG 81 Ca 0.66 0.36 -0.12 0.00 -0.52 0.00 0.00 55.73 56.10 2iei s ARG 81 Cb -0.37 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 2iei s ARG 81 CO 0.30 0.32 0.23 0.42 0.02 0.00 0.00 175.30 176.59 2iei s ILE 82 N 0.12 5.31 -0.35 1.52 -1.09 0.41 -1.01 121.20 126.11 2iei s ILE 82 Ca 0.23 0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2iei s ILE 82 Cb -0.15 -3.56 0.08 0.00 -1.58 0.00 0.00 42.46 37.25 2iei s ILE 82 CO 0.10 0.30 0.08 -0.31 -1.23 0.00 0.00 174.94 173.88 2iei s TYR 83 N 1.28 3.46 -0.58 3.97 2.02 0.78 -0.42 117.35 127.86 2iei s TYR 83 Ca 0.10 -2.24 -0.24 0.00 -0.37 0.00 0.00 57.07 54.33 2iei s TYR 83 Cb -0.14 -2.65 0.05 0.00 -0.40 0.00 0.00 41.96 38.82 2iei s TYR 83 CO 0.06 -0.89 0.96 -0.47 -1.57 0.00 0.00 175.55 173.64 2iei s TYR 84 N 1.16 2.75 -0.23 2.71 5.04 -0.20 -0.99 117.35 127.59 2iei s TYR 84 Ca 0.02 -0.12 -0.16 0.00 -2.44 0.00 0.00 57.07 54.37 2iei s TYR 84 Cb -0.21 -4.14 -0.04 0.00 0.35 0.00 0.00 41.96 37.93 2iei s TYR 84 CO -0.03 -1.44 0.40 -0.51 -1.34 0.00 0.00 175.55 172.63 2iei s LEU 85 N 4.04 4.10 -0.17 6.97 1.02 -0.21 -1.22 118.68 133.20 2iei s LEU 85 Ca 0.29 0.43 -0.20 0.00 0.02 0.00 0.00 54.13 54.67 2iei s LEU 85 Cb -0.13 -2.50 0.05 0.00 0.02 0.00 0.00 46.19 43.63 2iei s LEU 85 CO 0.17 -0.14 0.54 -0.55 0.02 0.00 0.00 176.35 176.39 2iei s SER 86 N 1.32 -0.54 0.00 2.29 0.15 -0.93 -1.65 113.70 114.35 2iei s SER 86 Ca 0.18 0.95 0.31 0.00 0.70 0.00 0.00 55.95 58.09 2iei s SER 86 Cb -0.15 0.97 1.65 0.00 -1.71 0.00 0.00 66.02 66.78 2iei s SER 86 CO 0.09 -0.26 2.11 0.18 1.20 0.00 0.00 173.24 176.55 2iei n LEU 87 N 2.42 0.00 -3.78 3.45 7.99 -1.26 -4.08 117.00 121.74 2iei n LEU 87 Ca -0.15 0.19 -0.14 0.00 -0.01 0.00 0.00 56.01 55.89 2iei n LEU 87 Cb 0.56 -0.19 -0.16 0.00 -0.11 0.00 0.00 43.42 43.53 2iei n LEU 87 CO 0.12 -0.00 -0.33 -1.61 -1.51 0.00 0.00 177.39 174.05 2iei s GLU 88 N -2.37 -0.02 -0.33 3.23 2.02 -1.26 -4.68 118.70 115.30 2iei s GLU 88 Ca 0.35 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.52 2iei s GLU 88 Cb 0.21 -0.21 0.12 0.00 0.10 0.00 0.00 34.13 34.35 2iei s GLU 88 CO 0.43 -0.15 0.17 -0.06 0.02 0.00 0.00 175.26 175.67 2iei s PHE 89 N 0.96 0.66 -1.27 1.61 0.08 -0.24 -4.71 117.98 115.07 2iei s PHE 89 Ca -0.08 -1.34 -0.15 0.00 0.12 0.00 0.00 56.93 55.48 2iei s PHE 89 Cb -0.11 -1.00 0.13 0.00 -0.57 0.00 0.00 43.02 41.47 2iei s PHE 89 CO -0.03 -0.83 1.65 0.98 -0.10 0.00 0.00 175.22 176.89 2iei n TYR 90 N 4.59 4.57 0.05 0.36 4.19 -0.10 -3.53 117.16 127.29 2iei n TYR 90 Ca 0.03 -3.09 -0.16 0.00 3.31 0.00 0.00 57.90 57.99 2iei n TYR 90 Cb 0.39 -2.36 -0.14 0.00 0.49 0.00 0.00 39.34 37.73 2iei n TYR 90 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 2iei h MET 91 N 7.07 0.22 0.00 2.98 2.86 -1.58 -3.42 114.93 123.07 2iei h MET 91 Ca 0.39 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2iei h MET 91 Cb 0.83 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2iei h MET 91 CO 1.41 1.06 0.00 0.41 1.06 0.00 0.00 176.91 180.85 2iei n GLY 92 N 1.66 -0.00 3.82 8.32 0.00 -0.76 -4.85 105.19 113.36 2iei n GLY 92 Ca -0.16 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2iei n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iei s ARG 93 N 0.00 3.28 0.00 1.61 0.52 -1.26 -1.24 118.95 121.86 2iei s ARG 93 Ca 0.00 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 2iei s ARG 93 Cb 0.00 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2iei s ARG 93 CO 0.00 -0.83 0.00 2.41 0.02 0.00 0.00 175.30 176.90 2iei n THR 94 N -2.47 0.00 0.47 0.02 -1.04 -1.26 -4.74 114.28 105.25 2iei n THR 94 Ca 0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.90 2iei n THR 94 Cb 0.53 -0.16 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 2iei n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2iei h LEU 95 N 0.00 -1.01 -0.75 -4.42 5.85 -1.97 -1.47 115.31 111.54 2iei h LEU 95 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2iei h LEU 95 Cb 0.43 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 2iei h LEU 95 CO 0.00 -0.67 0.45 -0.61 -0.34 0.00 0.00 178.44 177.28 2iei h GLN 96 N -1.30 0.83 -0.85 1.25 4.15 -1.97 -1.71 115.11 115.52 2iei h GLN 96 Ca -0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.25 2iei h GLN 96 Cb 0.92 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 2iei h GLN 96 CO 0.20 0.55 0.55 -0.97 -1.93 0.00 0.00 178.83 177.23 2iei h ASN 97 N 0.85 0.99 0.10 -0.69 -0.73 -1.84 -0.14 115.58 114.12 2iei h ASN 97 Ca 0.32 -0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 2iei h ASN 97 Cb 0.11 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.45 2iei h ASN 97 CO -0.15 0.74 -0.05 0.74 -0.37 0.00 0.00 177.43 178.34 2iei h THR 98 N 1.16 1.07 -0.57 -3.57 2.02 -0.65 -1.71 112.91 110.66 2iei h THR 98 Ca 0.31 -0.64 0.09 0.00 0.77 0.00 0.00 66.41 66.94 2iei h THR 98 Cb -0.11 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 2iei h THR 98 CO -0.06 0.16 0.18 0.24 0.37 0.00 0.00 175.52 176.40 2iei h MET 99 N -0.42 0.33 0.41 6.66 2.86 -0.98 -1.71 114.93 122.07 2iei h MET 99 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2iei h MET 99 Cb 0.35 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2iei h MET 99 CO 0.02 0.22 -0.33 0.28 1.06 0.00 0.00 176.91 178.16 2iei h VAL 100 N 0.34 0.32 0.00 -2.22 2.07 -0.96 0.27 116.25 116.07 2iei h VAL 100 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2iei h VAL 100 Cb 0.38 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2iei h VAL 100 CO -0.33 0.00 -0.01 0.78 0.02 0.00 0.00 177.57 178.03 2iei h ASN 101 N -0.73 0.00 -0.30 0.57 -0.26 -0.96 -1.69 115.58 112.20 2iei h ASN 101 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2iei h ASN 101 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 2iei h ASN 101 CO -0.01 0.01 0.00 0.18 -1.06 0.00 0.00 177.43 176.55 2iei n LEU 102 N -3.22 2.84 -3.70 1.61 4.77 -0.67 -1.29 117.00 117.33 2iei n LEU 102 Ca -0.02 -1.68 -0.25 0.00 -0.03 0.00 0.00 56.01 54.02 2iei n LEU 102 Cb 0.13 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2iei n LEU 102 CO 0.23 0.66 0.15 0.00 -1.33 0.00 0.00 177.39 177.10 2iei n ALA 103 N 0.77 -1.47 0.51 -1.18 0.00 -0.19 -4.91 120.51 114.03 2iei n ALA 103 Ca 0.12 0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.84 2iei n ALA 103 Cb 0.43 -4.40 0.02 0.00 0.00 0.00 0.00 19.45 15.51 2iei n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2iei n LEU 104 N -4.71 1.67 0.05 0.00 4.77 0.77 -4.58 117.00 114.96 2iei n LEU 104 Ca -0.05 -0.88 -0.12 0.00 -0.03 0.00 0.00 56.01 54.92 2iei n LEU 104 Cb 0.58 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 2iei n LEU 104 CO 0.68 0.32 0.86 -0.08 -1.33 0.00 0.00 177.39 177.85 2iei h GLU 105 N 1.84 -0.02 -0.44 3.23 4.81 -1.67 -0.58 114.58 121.75 2iei h GLU 105 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2iei h GLU 105 Cb 0.45 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2iei h GLU 105 CO 0.00 -0.01 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.33 2iei h ASN 106 N -0.02 0.78 0.10 1.04 2.35 -1.66 -0.73 115.58 117.44 2iei h ASN 106 Ca 0.00 -0.32 -0.08 0.00 -0.55 0.00 0.00 56.30 55.35 2iei h ASN 106 Cb 0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2iei h ASN 106 CO -0.00 0.92 -0.27 0.00 -1.65 0.00 0.00 177.43 176.43 2iei h ALA 107 N 0.89 1.27 -0.08 -0.83 0.00 -1.54 -0.07 119.26 118.90 2iei h ALA 107 Ca 0.12 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 2iei h ALA 107 Cb 0.54 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2iei h ALA 107 CO 0.03 0.49 -0.90 0.00 0.00 0.00 0.00 179.25 178.87 2iei h ASP 109 N 0.45 0.28 -0.36 0.00 3.58 -0.75 0.43 116.42 120.04 2iei h ASP 109 Ca -0.09 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 2iei h ASP 109 Cb 1.54 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.53 2iei h ASP 109 CO 0.18 0.20 0.05 -0.08 -2.88 0.00 0.00 179.24 176.72 2iei h GLU 110 N 0.37 0.60 -0.32 0.28 4.57 -1.12 -0.27 114.58 118.70 2iei h GLU 110 Ca 0.14 -0.16 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2iei h GLU 110 Cb 0.03 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 2iei h GLU 110 CO -0.08 0.67 -0.04 0.00 -1.18 0.00 0.00 179.01 178.39 2iei h ALA 111 N 0.90 0.25 -0.44 2.92 0.00 -1.17 0.13 119.26 121.87 2iei h ALA 111 Ca 0.11 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2iei h ALA 111 Cb 0.37 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2iei h ALA 111 CO 0.01 -0.43 -0.24 1.79 0.00 0.00 0.00 179.25 180.37 2iei h THR 112 N 0.05 1.27 -0.16 0.00 1.35 -0.84 -2.32 112.91 112.27 2iei h THR 112 Ca 0.15 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 2iei h THR 112 Cb 0.22 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2iei h THR 112 CO -0.29 0.47 0.10 0.22 -0.25 0.00 0.00 175.52 175.78 2iei h TYR 113 N 0.78 0.20 -0.99 4.73 3.20 -0.80 0.28 116.97 124.37 2iei h TYR 113 Ca 0.10 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.06 2iei h TYR 113 Cb 0.80 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 2iei h TYR 113 CO 0.05 0.14 0.63 1.96 -1.64 0.00 0.00 178.16 179.29 2iei h GLN 114 N 0.21 1.04 0.00 1.82 4.20 -0.88 0.68 115.11 122.18 2iei h GLN 114 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2iei h GLN 114 Cb -0.01 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.53 2iei h GLN 114 CO -0.01 0.69 0.00 1.28 -0.67 0.00 0.00 178.83 180.11 2iei n LEU 115 N -4.57 0.00 -0.11 1.46 4.32 -0.88 -4.91 117.00 112.30 2iei n LEU 115 Ca 0.17 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 2iei n LEU 115 Cb 0.26 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 2iei n LEU 115 CO 0.30 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 2iei n GLY 116 N 1.03 1.13 3.08 -0.72 0.00 0.23 -5.07 105.19 104.87 2iei n GLY 116 Ca 0.09 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2iei n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iei s LEU 117 N -0.22 2.25 -0.43 0.99 1.43 0.86 -4.99 118.68 118.57 2iei s LEU 117 Ca 0.00 -0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 2iei s LEU 117 Cb 0.00 -0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.01 2iei s LEU 117 CO 0.00 -0.17 0.51 -0.62 0.23 0.00 0.00 176.35 176.29 2iei s ASP 118 N -1.55 6.24 0.36 2.29 -1.08 -1.26 -3.11 116.67 118.55 2iei s ASP 118 Ca -0.08 -0.56 0.05 0.00 -0.52 0.00 0.00 52.55 51.44 2iei s ASP 118 Cb -0.10 -2.26 0.68 0.00 -1.46 0.00 0.00 42.92 39.78 2iei s ASP 118 CO 0.01 -0.65 1.94 -0.03 0.52 0.00 0.00 175.17 176.96 2iei h MET 119 N 8.77 0.57 0.00 4.34 1.85 -1.91 -2.09 114.93 126.46 2iei h MET 119 Ca -0.26 -0.08 -0.07 0.00 -0.61 0.00 0.00 59.70 58.68 2iei h MET 119 Cb 1.11 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 33.02 2iei h MET 119 CO 0.83 0.50 -0.32 0.93 -0.40 0.00 0.00 176.91 178.45 2iei h GLU 120 N 0.56 0.00 -0.14 0.39 5.08 -1.99 -0.25 114.58 118.24 2iei h GLU 120 Ca 0.14 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2iei h GLU 120 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2iei h GLU 120 CO -0.01 0.32 -0.30 1.49 -1.00 0.00 0.00 179.01 179.52 2iei h GLU 121 N 0.00 0.44 -0.88 2.33 4.22 -1.84 -3.07 114.58 115.77 2iei h GLU 121 Ca -0.00 -0.29 0.06 0.00 0.08 0.00 0.00 59.36 59.20 2iei h GLU 121 Cb 0.94 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 2iei h GLU 121 CO 0.04 0.90 0.55 -0.07 -2.18 0.00 0.00 179.01 178.26 2iei h LEU 122 N 0.05 0.88 -1.96 1.64 4.07 -1.13 -2.34 115.31 116.51 2iei h LEU 122 Ca 0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 2iei h LEU 122 Cb 0.90 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 2iei h LEU 122 CO 0.07 0.56 0.02 -0.33 -1.08 0.00 0.00 178.44 177.68 2iei h GLU 123 N 1.01 0.04 0.00 1.13 5.08 -1.05 -1.88 114.58 118.91 2iei h GLU 123 Ca 0.38 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2iei h GLU 123 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2iei h GLU 123 CO -0.17 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.26 2iei n GLU 124 N -4.53 0.23 0.05 2.33 -0.58 -0.88 -2.88 120.64 114.37 2iei n GLU 124 Ca -0.03 0.12 0.01 0.00 -0.42 0.00 0.00 57.16 56.84 2iei n GLU 124 Cb 0.09 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.39 2iei n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2iei h ILE 125 N 0.00 0.51 -3.49 -3.67 2.04 -1.42 -3.47 117.51 108.01 2iei h ILE 125 Ca 0.00 -1.97 -0.53 0.00 1.00 0.00 0.00 64.86 63.36 2iei h ILE 125 Cb 0.20 2.04 0.08 0.00 -0.74 0.00 0.00 36.82 38.41 2iei h ILE 125 CO 0.00 0.29 0.81 -0.70 0.00 0.00 0.00 178.15 178.55 2iei s GLU 126 N -2.95 4.18 0.37 2.37 2.12 -1.14 -4.99 118.70 118.66 2iei s GLU 126 Ca -0.02 2.46 -0.24 0.00 0.36 0.00 0.00 54.97 57.53 2iei s GLU 126 Cb 0.09 -3.04 -0.10 0.00 0.26 0.00 0.00 34.13 31.33 2iei s GLU 126 CO 0.80 -0.52 0.98 -2.00 -0.54 0.00 0.00 175.26 173.98 2iei s GLU 127 N -0.83 4.40 0.22 4.30 2.56 -1.26 -4.99 118.70 123.10 2iei s GLU 127 Ca 0.59 1.34 -0.30 0.00 0.00 0.00 0.00 54.97 56.60 2iei s GLU 127 Cb -0.45 -2.61 -0.09 0.00 2.00 0.00 0.00 34.13 32.98 2iei s GLU 127 CO 0.49 0.10 1.30 -0.51 -0.56 0.00 0.00 175.26 176.08 2iei s ASP 128 N -1.71 6.90 -1.32 -1.70 1.11 -1.26 -4.54 116.67 114.15 2iei s ASP 128 Ca 0.55 2.44 -0.17 0.00 0.18 0.00 0.00 52.55 55.54 2iei s ASP 128 Cb -0.18 -2.62 0.04 0.00 1.07 0.00 0.00 42.92 41.24 2iei s ASP 128 CO 0.23 -0.50 1.91 0.00 1.18 0.00 0.00 175.17 177.98 2iei n ALA 129 N 2.25 4.03 -1.13 5.23 0.00 -0.37 -4.85 120.51 125.66 2iei n ALA 129 Ca 0.05 -3.78 -0.16 0.00 0.00 0.00 0.00 53.44 49.54 2iei n ALA 129 Cb 0.43 -3.58 -0.14 0.00 0.00 0.00 0.00 19.45 16.16 2iei n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iei n GLY 130 N 5.00 3.36 1.43 0.00 0.00 -1.26 -1.53 105.19 112.19 2iei n GLY 130 Ca 0.50 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2iei n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2iei n LEU 131 N 2.16 4.73 -3.94 0.99 4.77 -1.23 -1.52 117.00 122.95 2iei n LEU 131 Ca 0.46 -2.30 -0.09 0.00 -0.03 0.00 0.00 56.01 54.05 2iei n LEU 131 Cb 0.81 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2iei n LEU 131 CO 0.19 0.85 0.24 -0.83 -1.33 0.00 0.00 177.39 176.51 2iei s GLY 132 N 1.03 0.33 -0.26 -0.72 0.00 -1.26 -1.08 107.32 105.36 2iei s GLY 132 Ca 0.10 -0.68 -0.09 0.00 0.00 0.00 0.00 44.72 44.05 2iei s GLY 132 CO 0.01 -0.48 -0.23 0.70 0.00 0.00 0.00 173.10 173.10 2iei n ASN 133 N -0.39 1.97 0.00 1.64 3.02 -1.26 -4.45 115.26 115.79 2iei n ASN 133 Ca -0.03 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2iei n ASN 133 Cb 0.61 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 2iei n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iei n GLY 134 N 1.64 2.41 0.14 7.41 0.00 -1.26 -4.91 105.19 110.63 2iei n GLY 134 Ca -0.49 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 2iei n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2iei h GLY 135 N 0.00 0.33 0.46 -0.02 0.00 -1.99 -1.75 103.07 100.10 2iei h GLY 135 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.47 2iei h GLY 135 CO 0.00 -0.07 0.53 -2.00 0.00 0.00 0.00 176.54 175.01 2iei h LEU 136 N 0.10 0.76 0.17 3.11 6.46 -1.98 -0.55 115.31 123.38 2iei h LEU 136 Ca 0.16 0.05 -0.30 0.00 -0.12 0.00 0.00 57.88 57.67 2iei h LEU 136 Cb 0.21 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2iei h LEU 136 CO -0.26 0.41 -1.36 1.23 -0.62 0.00 0.00 178.44 177.85 2iei h GLY 137 N 0.86 0.40 2.00 3.75 0.00 -1.72 -3.10 103.07 105.26 2iei h GLY 137 Ca 0.45 -1.02 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 2iei h GLY 137 CO -0.27 0.89 -0.49 -0.09 0.00 0.00 0.00 176.54 176.58 2iei h ARG 138 N 0.10 0.00 -0.48 4.80 9.65 -1.23 -0.23 114.38 126.99 2iei h ARG 138 Ca -0.19 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 2iei h ARG 138 Cb 2.04 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.60 2iei h ARG 138 CO 0.22 0.49 0.26 1.25 2.80 0.00 0.00 179.97 185.00 2iei h LEU 139 N 0.00 0.61 -1.28 3.80 5.85 -1.11 0.35 115.31 123.53 2iei h LEU 139 Ca -0.00 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2iei h LEU 139 Cb 1.23 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2iei h LEU 139 CO 0.06 0.53 0.49 0.00 -0.34 0.00 0.00 178.44 179.18 2iei h ALA 140 N 1.11 1.49 -0.19 1.25 0.00 -1.52 0.18 119.26 121.58 2iei h ALA 140 Ca 0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2iei h ALA 140 Cb 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2iei h ALA 140 CO -0.03 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.54 2iei h ALA 141 N 1.55 0.27 -0.92 0.00 0.00 -1.37 -1.58 119.26 117.21 2iei h ALA 141 Ca 0.27 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2iei h ALA 141 Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2iei h ALA 141 CO -0.06 0.16 0.61 0.00 0.00 0.00 0.00 179.25 179.96 2iei h PHE 143 N 1.23 0.94 -0.63 0.00 -1.00 -0.55 -0.82 116.94 116.12 2iei h PHE 143 Ca 0.34 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.08 2iei h PHE 143 Cb -0.13 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.11 2iei h PHE 143 CO -0.01 0.68 0.38 -0.07 -1.61 0.00 0.00 178.31 177.68 2iei h LEU 144 N 0.92 0.75 0.28 1.54 4.07 -1.11 0.13 115.31 121.88 2iei h LEU 144 Ca 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 2iei h LEU 144 Cb 0.08 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 2iei h LEU 144 CO -0.03 0.59 -0.18 -0.78 -1.08 0.00 0.00 178.44 176.96 2iei h ASP 145 N 0.85 -0.45 -0.61 -0.43 3.58 -1.05 -2.91 116.42 115.40 2iei h ASP 145 Ca 0.22 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 2iei h ASP 145 Cb -0.02 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2iei h ASP 145 CO -0.04 -0.29 0.26 0.28 -2.88 0.00 0.00 179.24 176.57 2iei h SER 146 N -0.45 0.86 0.12 2.28 0.02 -0.81 -1.98 113.55 113.59 2iei h SER 146 Ca -0.02 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2iei h SER 146 Cb 0.38 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2iei h SER 146 CO 0.02 0.77 -0.24 0.24 -1.14 0.00 0.00 176.83 176.48 2iei h MET 147 N 0.93 0.21 -0.10 3.45 2.86 -0.73 -0.95 114.93 120.60 2iei h MET 147 Ca 0.22 -0.06 -0.24 0.00 -2.06 0.00 0.00 59.70 57.56 2iei h MET 147 Cb 0.17 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.83 2iei h MET 147 CO -0.02 0.44 -0.87 0.00 1.06 0.00 0.00 176.91 177.53 2iei h ALA 148 N 1.57 0.27 0.00 6.32 0.00 -1.28 -0.57 119.26 125.57 2iei h ALA 148 Ca 0.03 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2iei h ALA 148 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2iei h ALA 148 CO 0.04 0.69 -0.23 1.15 0.00 0.00 0.00 179.25 180.90 2iei h THR 149 N 0.48 0.75 -0.65 0.00 2.02 -1.06 -2.77 112.91 111.68 2iei h THR 149 Ca -0.08 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2iei h THR 149 Cb 1.50 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2iei h THR 149 CO 0.17 0.23 0.00 0.18 0.37 0.00 0.00 175.52 176.47 2iei n LEU 150 N -3.66 4.47 -0.75 2.58 4.77 -0.39 -4.47 117.00 119.55 2iei n LEU 150 Ca -0.01 -2.32 -0.10 0.00 -0.03 0.00 0.00 56.01 53.55 2iei n LEU 150 Cb 0.36 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2iei n LEU 150 CO 0.34 0.86 -0.09 0.61 -1.33 0.00 0.00 177.39 177.77 2iei n GLY 151 N 1.20 1.07 3.75 -0.72 0.00 -1.04 0.46 105.19 109.92 2iei n GLY 151 Ca 0.25 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2iei n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iei s LEU 152 N -2.24 4.53 -1.16 0.99 1.43 -0.24 -4.80 118.68 117.20 2iei s LEU 152 Ca 0.00 2.23 -0.21 0.00 -1.03 0.00 0.00 54.13 55.12 2iei s LEU 152 Cb 0.00 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 2iei s LEU 152 CO 0.00 -0.18 1.90 0.00 0.23 0.00 0.00 176.35 178.31 2iei n ALA 153 N 1.54 2.49 -2.72 4.21 0.00 -1.26 -4.67 120.51 120.10 2iei n ALA 153 Ca 0.00 -3.25 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 2iei n ALA 153 Cb 0.45 -3.53 -0.16 0.00 0.00 0.00 0.00 19.45 16.21 2iei n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iei s ALA 154 N 8.61 1.84 -0.08 0.00 0.00 -1.26 -0.45 121.76 130.43 2iei s ALA 154 Ca 0.63 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.73 2iei s ALA 154 Cb 0.03 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2iei s ALA 154 CO 0.12 0.37 -0.17 0.71 0.00 0.00 0.00 175.76 176.79 2iei s TYR 155 N -0.17 1.85 -0.17 0.00 1.51 0.44 -3.90 117.35 116.92 2iei s TYR 155 Ca -0.01 -0.71 -0.18 0.00 -1.01 0.00 0.00 57.07 55.16 2iei s TYR 155 Cb -0.12 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2iei s TYR 155 CO 0.02 -0.32 0.48 0.20 -1.11 0.00 0.00 175.55 174.82 2iei s GLY 156 N 0.52 2.18 -0.16 0.71 0.00 -0.91 -1.03 107.32 108.62 2iei s GLY 156 Ca -0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.20 2iei s GLY 156 CO 0.06 0.92 -0.13 -0.19 0.00 0.00 0.00 173.10 173.76 2iei s TYR 157 N 1.23 2.83 0.00 1.90 2.02 -0.36 0.20 117.35 125.17 2iei s TYR 157 Ca 0.24 -0.93 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 2iei s TYR 157 Cb -0.15 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2iei s TYR 157 CO 0.09 -0.43 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 2iei n GLY 158 N 4.08 3.71 3.47 0.71 0.00 -0.41 -2.18 105.19 114.57 2iei n GLY 158 Ca -0.19 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2iei n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iei s ILE 159 N -2.21 3.18 -1.11 -0.61 1.01 -1.26 -1.01 121.20 119.18 2iei s ILE 159 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 2iei s ILE 159 Cb 0.00 -2.28 0.13 0.00 0.01 0.00 0.00 42.46 40.32 2iei s ILE 159 CO 0.00 0.57 1.38 -0.60 0.00 0.00 0.00 174.94 176.30 2iei s ARG 160 N -0.47 3.86 0.18 2.79 3.52 -0.05 -4.69 118.95 124.09 2iei s ARG 160 Ca 0.06 -2.07 -0.32 0.00 -0.13 0.00 0.00 55.73 53.27 2iei s ARG 160 Cb -0.12 -5.12 -0.12 0.00 -1.56 0.00 0.00 34.95 28.04 2iei s ARG 160 CO 0.02 -1.89 1.77 0.66 -0.81 0.00 0.00 175.30 175.05 2iei n TYR 161 N 6.69 2.71 0.02 5.12 4.01 -1.25 -4.66 117.16 129.79 2iei n TYR 161 Ca 0.34 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 2iei n TYR 161 Cb 0.46 -2.70 0.30 0.00 -0.31 0.00 0.00 39.34 37.10 2iei n TYR 161 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2iei h GLU 162 N 7.43 0.48 -4.62 -0.72 4.81 -0.50 -3.41 114.58 118.04 2iei h GLU 162 Ca -0.44 -0.11 -0.56 0.00 -0.13 0.00 0.00 59.36 58.12 2iei h GLU 162 Cb 1.21 -0.07 -0.35 0.00 0.63 0.00 0.00 28.75 30.17 2iei h GLU 162 CO 0.95 0.53 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.88 2iei s PHE 163 N -4.90 1.81 0.00 0.92 0.08 0.18 -4.30 117.98 111.78 2iei s PHE 163 Ca -0.07 -0.84 0.00 0.00 0.12 0.00 0.00 56.93 56.14 2iei s PHE 163 Cb 0.15 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2iei s PHE 163 CO 0.76 -0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.83 2iei n GLY 164 N 4.28 0.29 3.72 4.36 0.00 -1.20 -1.58 105.19 115.05 2iei n GLY 164 Ca -0.19 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 2iei n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2iei n ILE 165 N 0.00 1.38 -1.64 -0.61 0.13 -0.58 -4.44 119.36 113.60 2iei n ILE 165 Ca 0.00 -0.35 -0.40 0.00 -1.10 0.00 0.00 62.75 60.90 2iei n ILE 165 Cb 0.00 -1.73 0.03 0.00 -0.84 0.00 0.00 39.64 37.09 2iei n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 2iei n PHE 166 N 1.39 1.38 -2.64 9.51 1.16 -1.26 -4.56 117.46 122.43 2iei n PHE 166 Ca 0.07 0.50 -0.43 0.00 -1.87 0.00 0.00 57.45 55.73 2iei n PHE 166 Cb 0.35 -2.25 -0.02 0.00 -1.61 0.00 0.00 39.48 35.95 2iei n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2iei s ASN 167 N -0.84 7.17 -0.21 5.98 0.01 -0.79 -4.90 114.94 121.36 2iei s ASN 167 Ca 0.67 1.54 -0.17 0.00 -0.71 0.00 0.00 52.86 54.18 2iei s ASN 167 Cb -0.49 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.58 2iei s ASN 167 CO 0.54 -0.53 0.47 -1.58 -1.51 0.00 0.00 177.10 174.49 2iei s GLN 168 N 2.39 4.17 -0.07 -0.60 0.74 -1.26 -1.93 119.66 123.10 2iei s GLN 168 Ca 0.48 0.32 0.01 0.00 0.05 0.00 0.00 55.36 56.22 2iei s GLN 168 Cb -0.18 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 2iei s GLN 168 CO 0.15 -0.13 -0.09 0.15 -0.55 0.00 0.00 175.29 174.82 2iei s LYS 169 N 1.59 2.74 -0.44 1.67 -0.14 -0.25 -3.79 119.74 121.12 2iei s LYS 169 Ca 0.22 -0.60 -0.16 0.00 -1.36 0.00 0.00 55.97 54.07 2iei s LYS 169 Cb -0.15 -2.54 0.04 0.00 -1.68 0.00 0.00 37.83 33.50 2iei s LYS 169 CO 0.09 0.62 0.41 0.42 -0.76 0.00 0.00 175.35 176.12 2iei s ILE 170 N -0.69 5.16 -0.26 2.17 -1.09 -1.26 0.08 121.20 125.31 2iei s ILE 170 Ca 0.10 -0.68 -0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2iei s ILE 170 Cb -0.11 -4.06 0.04 0.00 -1.58 0.00 0.00 42.46 36.74 2iei s ILE 170 CO 0.01 -0.48 -0.07 0.00 -1.23 0.00 0.00 174.94 173.17 2iei n GLY 172 N 4.59 -0.53 2.41 0.00 0.00 -1.26 -1.58 105.19 108.83 2iei n GLY 172 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2iei n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iei n GLY 173 N -1.58 0.95 3.62 -0.02 0.00 -1.26 -5.04 105.19 101.86 2iei n GLY 173 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2iei n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2iei s TRP 174 N -3.58 2.83 0.09 1.61 0.52 -0.61 -3.94 118.94 115.85 2iei s TRP 174 Ca 0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 56.10 55.70 2iei s TRP 174 Cb 0.00 -1.45 -0.08 0.00 -1.15 0.00 0.00 33.47 30.79 2iei s TRP 174 CO 0.00 0.46 1.41 -1.14 0.02 0.00 0.00 176.95 177.70 2iei s GLN 175 N -2.34 4.30 -0.13 4.98 0.74 -1.26 -0.33 119.66 125.63 2iei s GLN 175 Ca 0.23 2.08 0.03 0.00 0.05 0.00 0.00 55.36 57.75 2iei s GLN 175 Cb -0.11 -3.32 0.01 0.00 1.10 0.00 0.00 33.01 30.68 2iei s GLN 175 CO 0.16 -0.48 -0.21 -1.64 -0.55 0.00 0.00 175.29 172.57 2iei s MET 176 N 1.43 2.83 -0.03 1.67 -1.94 0.11 -4.90 119.30 118.47 2iei s MET 176 Ca 0.65 -0.79 -0.21 0.00 -1.71 0.00 0.00 55.69 53.63 2iei s MET 176 Cb -0.36 -2.28 -0.05 0.00 2.01 0.00 0.00 34.83 34.15 2iei s MET 176 CO 0.30 0.01 0.61 -1.21 -0.01 0.00 0.00 175.02 174.72 2iei s GLU 177 N 0.77 4.36 0.18 2.03 8.01 -1.26 -1.09 118.70 131.70 2iei s GLU 177 Ca -0.09 0.75 0.07 0.00 0.01 0.00 0.00 54.97 55.70 2iei s GLU 177 Cb -0.16 -3.38 -0.05 0.00 -4.31 0.00 0.00 34.13 26.23 2iei s GLU 177 CO -0.00 0.25 -0.13 -1.21 0.01 0.00 0.00 175.26 174.18 2iei s GLU 178 N 0.19 1.22 0.22 1.61 0.41 -0.81 -4.99 118.70 116.54 2iei s GLU 178 Ca 0.32 -1.51 -0.30 0.00 -0.41 0.00 0.00 54.97 53.07 2iei s GLU 178 Cb -0.18 -0.95 -0.09 0.00 -1.78 0.00 0.00 34.13 31.14 2iei s GLU 178 CO 0.17 0.15 1.18 0.00 -0.49 0.00 0.00 175.26 176.27 2iei s ALA 179 N -2.99 3.43 -1.18 5.21 0.00 -1.26 -1.88 121.76 123.09 2iei s ALA 179 Ca 0.19 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 2iei s ALA 179 Cb -0.00 -3.40 0.15 0.00 0.00 0.00 0.00 23.12 19.87 2iei s ALA 179 CO 0.04 -0.33 1.44 0.34 0.00 0.00 0.00 175.76 177.25 2iei s ASP 180 N -0.18 6.96 -1.52 0.00 2.15 -1.26 -4.66 116.67 118.16 2iei s ASP 180 Ca 0.50 -2.75 -0.09 0.00 0.43 0.00 0.00 52.55 50.65 2iei s ASP 180 Cb -0.33 -2.43 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 2iei s ASP 180 CO 0.39 -0.87 2.76 -0.67 -0.17 0.00 0.00 175.17 176.61 2iei n ASP 181 N 6.27 8.46 0.24 -0.34 2.03 -1.26 -3.26 116.55 128.69 2iei n ASP 181 Ca 0.37 -2.77 0.08 0.00 0.52 0.00 0.00 54.79 53.00 2iei n ASP 181 Cb 0.44 -1.50 0.59 0.00 -0.72 0.00 0.00 41.12 39.93 2iei n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2iei h TRP 182 N 4.89 0.00 -0.01 -0.67 5.08 -1.91 -2.35 115.95 120.98 2iei h TRP 182 Ca 0.82 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.79 2iei h TRP 182 Cb 0.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.45 2iei h TRP 182 CO 1.79 0.18 -0.03 1.28 -1.28 0.00 0.00 178.44 180.38 2iei n LEU 183 N -3.97 1.14 -0.35 0.11 4.77 -1.26 -4.55 117.00 112.87 2iei n LEU 183 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2iei n LEU 183 Cb 0.26 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 2iei n LEU 183 CO 0.34 0.19 0.56 -1.14 -1.33 0.00 0.00 177.39 176.01 2iei n ARG 184 N -0.17 -0.19 -0.30 3.23 0.63 -0.88 -1.62 116.66 117.36 2iei n ARG 184 Ca 0.19 1.43 0.12 0.00 -0.92 0.00 0.00 57.85 58.67 2iei n ARG 184 Cb 0.31 -2.13 0.28 0.00 0.45 0.00 0.00 32.46 31.37 2iei n ARG 184 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2iei n TYR 185 N -5.40 0.79 0.00 -0.14 4.01 -1.26 -5.06 117.16 110.10 2iei n TYR 185 Ca 0.11 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2iei n TYR 185 Cb 0.39 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 2iei n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2iei n GLY 186 N 1.57 2.70 2.91 2.72 0.00 -0.64 -4.99 105.19 109.46 2iei n GLY 186 Ca 0.22 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2iei n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2iei s ASN 187 N 0.00 4.37 0.15 1.61 2.47 -1.26 -4.82 114.94 117.46 2iei s ASN 187 Ca 0.00 -2.38 0.19 0.00 0.42 0.00 0.00 52.86 51.09 2iei s ASN 187 Cb 0.00 -1.43 0.81 0.00 -1.45 0.00 0.00 41.25 39.18 2iei s ASN 187 CO 0.00 -0.33 1.59 -0.81 -3.72 0.00 0.00 177.10 173.83 2iei n PRO 188 N 3.93 0.11 -0.28 0.43 -0.04 -1.26 -2.95 135.00 134.95 2iei n PRO 188 Ca 0.04 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2iei n PRO 188 Cb 0.38 -1.72 0.26 0.00 -0.04 0.00 0.00 33.50 32.38 2iei n PRO 188 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2iei n TRP 189 N -1.92 0.73 -4.43 0.54 7.02 -1.26 -4.86 117.44 113.25 2iei n TRP 189 Ca 0.02 -0.36 -0.29 0.00 -1.02 0.00 0.00 57.50 55.85 2iei n TRP 189 Cb 0.19 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.95 2iei n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 2iei s GLU 190 N -1.27 1.41 -0.23 -0.99 -1.05 -1.15 -4.17 118.70 111.25 2iei s GLU 190 Ca 0.38 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 2iei s GLU 190 Cb 0.20 -1.86 0.06 0.00 -0.44 0.00 0.00 34.13 32.09 2iei s GLU 190 CO 0.27 0.44 -0.04 0.21 0.95 0.00 0.00 175.26 177.09 2iei s LYS 191 N -1.96 1.50 0.28 -4.83 2.47 0.24 -4.93 119.74 112.50 2iei s LYS 191 Ca 0.13 -0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 53.35 2iei s LYS 191 Cb -0.10 -2.50 -0.12 0.00 -1.46 0.00 0.00 37.83 33.66 2iei s LYS 191 CO 0.05 -0.59 1.62 0.00 0.16 0.00 0.00 175.35 176.59 2iei n ALA 192 N 4.73 2.63 -3.30 3.13 0.00 -1.26 -0.45 120.51 125.98 2iei n ALA 192 Ca -0.12 0.38 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 2iei n ALA 192 Cb 0.45 -2.48 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 2iei n ALA 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2iei n ARG 193 N 2.41 1.88 0.08 0.00 5.12 0.18 -4.90 116.66 121.44 2iei n ARG 193 Ca 0.10 -4.13 0.10 0.00 -1.93 0.00 0.00 57.85 51.98 2iei n ARG 193 Cb 0.37 -1.87 0.42 0.00 -1.16 0.00 0.00 32.46 30.22 2iei n ARG 193 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2iei n PRO 194 N 0.96 0.12 0.29 5.56 -0.04 -1.26 -1.82 135.00 138.81 2iei n PRO 194 Ca 0.27 0.37 0.16 0.00 -0.04 0.00 0.00 63.50 64.25 2iei n PRO 194 Cb 0.46 -1.74 0.88 0.00 -0.04 0.00 0.00 33.50 33.07 2iei n PRO 194 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2iei h GLU 195 N 0.00 0.00 -0.45 0.54 4.81 -1.95 -2.39 114.58 115.13 2iei h GLU 195 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2iei h GLU 195 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2iei h GLU 195 CO 0.00 0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.52 2iei n PHE 196 N -3.59 1.50 -1.71 0.92 3.72 -0.76 -4.97 117.46 112.57 2iei n PHE 196 Ca -0.02 -0.76 -0.42 0.00 -0.05 0.00 0.00 57.45 56.19 2iei n PHE 196 Cb 0.15 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.28 2iei n PHE 196 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2iei n THR 197 N 0.24 0.03 -4.22 4.37 -1.04 -0.90 -4.69 114.28 108.06 2iei n THR 197 Ca 0.24 -0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.06 2iei n THR 197 Cb 1.01 -1.97 -0.12 0.00 -1.82 0.00 0.00 70.33 67.43 2iei n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2iei s LEU 198 N 1.27 2.24 0.06 -4.42 1.02 -0.81 -4.93 118.68 113.11 2iei s LEU 198 Ca 0.76 -0.57 -0.27 0.00 0.02 0.00 0.00 54.13 54.07 2iei s LEU 198 Cb -0.51 -0.53 -0.05 0.00 0.02 0.00 0.00 46.19 45.11 2iei s LEU 198 CO 0.33 -0.05 0.85 -2.16 0.02 0.00 0.00 176.35 175.34 2iei s PRO 199 N -1.55 4.57 -0.07 1.29 0.04 -1.26 -0.05 135.00 137.97 2iei s PRO 199 Ca -0.01 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.28 2iei s PRO 199 Cb -0.09 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2iei s PRO 199 CO 0.02 0.23 -0.17 0.08 0.04 0.00 0.00 177.00 177.20 2iei s VAL 200 N 0.05 2.79 -0.02 -0.36 1.01 0.29 -4.88 120.40 119.29 2iei s VAL 200 Ca 0.42 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2iei s VAL 200 Cb -0.21 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2iei s VAL 200 CO 0.26 0.57 -0.04 -1.00 0.00 0.00 0.00 175.10 174.89 2iei s HIS 201 N -0.39 2.98 0.08 5.22 3.76 -1.26 -0.66 115.29 125.02 2iei s HIS 201 Ca 0.04 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.01 2iei s HIS 201 Cb -0.12 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 2iei s HIS 201 CO 0.02 0.41 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.17 2iei s PHE 202 N -0.99 0.89 0.00 1.40 0.08 0.67 -4.96 117.98 115.08 2iei s PHE 202 Ca 0.17 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.56 2iei s PHE 202 Cb -0.11 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 2iei s PHE 202 CO 0.07 -0.06 0.00 0.66 -0.10 0.00 0.00 175.22 175.79 2iei n TYR 203 N 0.75 0.00 -3.83 0.36 4.01 0.72 -0.78 117.16 118.39 2iei n TYR 203 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2iei n TYR 203 Cb 0.57 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2iei n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2iei n GLY 204 N 0.00 -0.45 3.85 2.72 0.00 -1.26 -4.55 105.19 105.50 2iei n GLY 204 Ca 0.00 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 2iei n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2iei s ARG 205 N 0.00 1.84 -0.16 1.61 1.70 -0.56 -4.89 118.95 118.48 2iei s ARG 205 Ca 0.00 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 2iei s ARG 205 Cb 0.00 0.61 0.03 0.00 -0.57 0.00 0.00 34.95 35.02 2iei s ARG 205 CO 0.00 -0.84 -0.13 0.08 -1.08 0.00 0.00 175.30 173.32 2iei s VAL 206 N -3.74 1.60 0.07 4.99 1.01 -1.26 -0.92 120.40 122.16 2iei s VAL 206 Ca 0.12 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2iei s VAL 206 Cb -0.06 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 2iei s VAL 206 CO 0.08 0.38 0.45 -1.61 0.00 0.00 0.00 175.10 174.40 2iei s GLU 207 N 1.46 3.89 -0.18 2.72 2.02 -0.02 -4.90 118.70 123.69 2iei s GLU 207 Ca 0.03 0.37 -0.02 0.00 0.02 0.00 0.00 54.97 55.37 2iei s GLU 207 Cb -0.14 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 2iei s GLU 207 CO -0.10 0.58 -0.08 -1.01 0.02 0.00 0.00 175.26 174.67 2iei s HIS 208 N -1.30 2.91 0.42 1.61 3.76 -1.26 0.05 115.29 121.48 2iei s HIS 208 Ca 0.31 -0.82 0.06 0.00 -0.15 0.00 0.00 55.06 54.46 2iei s HIS 208 Cb -0.15 -2.00 -0.06 0.00 1.11 0.00 0.00 32.58 31.48 2iei s HIS 208 CO 0.17 -0.41 0.07 0.95 -0.85 0.00 0.00 174.74 174.67 2iei s THR 209 N 1.00 2.00 -0.46 1.30 -4.23 -1.26 -5.01 115.64 108.98 2iei s THR 209 Ca -0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2iei s THR 209 Cb -0.15 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2iei s THR 209 CO -0.00 0.00 0.03 -1.54 -0.54 0.00 0.00 174.62 172.56 2iei n SER 210 N -1.10 0.00 -3.01 3.99 3.41 -1.26 -4.76 113.62 110.89 2iei n SER 210 Ca -0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2iei n SER 210 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2iei n SER 210 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iei n GLY 212 N -0.23 -1.95 3.63 5.00 0.00 -1.26 -5.23 105.19 105.15 2iei n GLY 212 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2iei n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iei s ALA 213 N -2.00 3.11 -0.06 4.61 0.00 -1.26 -4.52 121.76 121.64 2iei s ALA 213 Ca 0.01 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2iei s ALA 213 Cb -0.00 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.27 2iei s ALA 213 CO 0.01 0.45 0.02 0.15 0.00 0.00 0.00 175.76 176.38 2iei s LYS 214 N -2.99 0.39 -0.49 0.00 3.01 0.11 -4.85 119.74 114.91 2iei s LYS 214 Ca 0.27 0.17 -0.23 0.00 -1.01 0.00 0.00 55.97 55.17 2iei s LYS 214 Cb -0.09 -0.78 0.03 0.00 -1.01 0.00 0.00 37.83 35.98 2iei s LYS 214 CO 0.18 -0.28 0.84 -0.46 0.51 0.00 0.00 175.35 176.13 2iei s TRP 215 N 1.88 2.93 0.27 3.18 -0.00 -1.26 -0.84 118.94 125.09 2iei s TRP 215 Ca 0.03 0.09 0.11 0.00 -0.00 0.00 0.00 56.10 56.33 2iei s TRP 215 Cb -0.12 -3.82 -0.05 0.00 -0.00 0.00 0.00 33.47 29.48 2iei s TRP 215 CO -0.04 -1.12 -0.19 0.14 -0.00 0.00 0.00 176.95 175.74 2iei s VAL 216 N 3.51 2.36 -1.13 5.86 -7.23 -0.10 -4.79 120.40 118.87 2iei s VAL 216 Ca 0.30 -2.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2iei s VAL 216 Cb -0.12 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2iei s VAL 216 CO 0.21 -0.43 0.00 0.47 -0.31 0.00 0.00 175.10 175.04 2iei n ASP 217 N -0.57 -4.09 -4.85 4.85 9.92 -1.26 -1.50 116.55 119.05 2iei n ASP 217 Ca -0.06 0.04 -0.31 0.00 -0.53 0.00 0.00 54.79 53.93 2iei n ASP 217 Cb 0.60 -3.19 0.01 0.00 -0.64 0.00 0.00 41.12 37.90 2iei n ASP 217 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2iei s THR 218 N -2.61 4.47 -0.08 -3.53 -4.23 -1.26 -4.07 115.64 104.34 2iei s THR 218 Ca 0.00 0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 61.26 2iei s THR 218 Cb 0.00 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 2iei s THR 218 CO 0.00 -0.93 0.44 0.00 -0.54 0.00 0.00 174.62 173.59 2iei s GLN 219 N -4.79 4.20 -0.14 3.99 1.03 0.04 -4.89 119.66 119.09 2iei s GLN 219 Ca 0.57 0.41 -0.07 0.00 0.04 0.00 0.00 55.36 56.32 2iei s GLN 219 Cb -0.12 -3.36 -0.04 0.00 0.03 0.00 0.00 33.01 29.52 2iei s GLN 219 CO 0.47 0.35 0.10 0.08 -2.54 0.00 0.00 175.29 173.75 2iei s VAL 220 N -0.00 5.12 -0.11 3.63 1.01 -1.26 -0.23 120.40 128.55 2iei s VAL 220 Ca 0.24 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.33 2iei s VAL 220 Cb -0.16 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2iei s VAL 220 CO 0.11 0.55 -0.22 -0.69 0.00 0.00 0.00 175.10 174.85 2iei s VAL 221 N -0.42 1.94 0.46 2.92 1.01 0.17 -4.47 120.40 122.00 2iei s VAL 221 Ca 0.11 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 2iei s VAL 221 Cb -0.12 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 2iei s VAL 221 CO 0.02 0.53 1.04 -0.76 0.00 0.00 0.00 175.10 175.92 2iei s LEU 222 N 0.58 3.94 -0.22 3.92 1.43 0.61 -0.55 118.68 128.39 2iei s LEU 222 Ca -0.14 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 2iei s LEU 222 Cb -0.17 -4.45 0.04 0.00 0.03 0.00 0.00 46.19 41.64 2iei s LEU 222 CO 0.04 -0.68 -0.15 0.00 0.23 0.00 0.00 176.35 175.79 2iei s ALA 223 N -1.90 2.46 -0.24 4.21 0.00 0.92 -1.10 121.76 126.11 2iei s ALA 223 Ca 0.64 -1.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 2iei s ALA 223 Cb -0.18 -1.40 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2iei s ALA 223 CO 0.22 -0.79 0.05 1.41 0.00 0.00 0.00 175.76 176.64 2iei s MET 224 N 1.20 3.60 0.17 0.00 1.75 -0.32 -1.93 119.30 123.77 2iei s MET 224 Ca -0.02 -0.50 -0.24 0.00 -1.25 0.00 0.00 55.69 53.67 2iei s MET 224 Cb -0.17 -3.26 -0.08 0.00 2.84 0.00 0.00 34.83 34.17 2iei s MET 224 CO -0.09 -0.18 0.76 -1.25 -0.65 0.00 0.00 175.02 173.61 2iei s PRO 225 N 1.57 4.52 -0.14 4.11 0.04 -1.26 -1.12 135.00 142.71 2iei s PRO 225 Ca 0.06 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2iei s PRO 225 Cb -0.15 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.20 2iei s PRO 225 CO 0.02 0.56 -0.14 0.71 0.04 0.00 0.00 177.00 178.19 2iei s TYR 226 N -1.19 2.09 -0.10 0.56 1.51 -0.19 -0.65 117.35 119.39 2iei s TYR 226 Ca 0.36 -1.15 -0.14 0.00 -1.01 0.00 0.00 57.07 55.13 2iei s TYR 226 Cb -0.22 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 2iei s TYR 226 CO 0.25 -0.64 0.32 -0.51 -1.11 0.00 0.00 175.55 173.86 2iei s ASP 227 N 1.47 6.57 -0.08 2.29 1.01 0.40 -1.74 116.67 126.58 2iei s ASP 227 Ca 0.04 0.67 0.03 0.00 0.71 0.00 0.00 52.55 54.01 2iei s ASP 227 Cb -0.13 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.61 2iei s ASP 227 CO -0.10 0.21 -0.19 -0.89 0.21 0.00 0.00 175.17 174.41 2iei s THR 228 N -0.21 1.64 0.39 -1.27 2.01 -0.27 0.80 115.64 118.71 2iei s THR 228 Ca 0.19 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.16 2iei s THR 228 Cb -0.14 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.85 2iei s THR 228 CO 0.07 0.47 1.10 -2.16 -0.69 0.00 0.00 174.62 173.40 2iei s PRO 229 N 0.40 4.17 -0.45 4.92 0.04 -1.26 -0.97 135.00 141.86 2iei s PRO 229 Ca -0.15 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.57 2iei s PRO 229 Cb -0.16 -2.66 0.13 0.00 0.04 0.00 0.00 34.50 31.85 2iei s PRO 229 CO 0.06 -0.17 0.22 0.08 0.04 0.00 0.00 177.00 177.23 2iei s VAL 230 N -1.52 1.83 0.04 -0.36 1.01 0.79 -4.87 120.40 117.32 2iei s VAL 230 Ca 0.56 -2.70 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 2iei s VAL 230 Cb -0.26 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2iei s VAL 230 CO 0.33 -0.82 1.00 -2.16 0.00 0.00 0.00 175.10 173.44 2iei s PRO 231 N 0.28 4.58 0.87 2.72 0.04 -1.26 -1.00 135.00 141.23 2iei s PRO 231 Ca 0.16 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2iei s PRO 231 Cb -0.24 -3.42 0.11 0.00 0.04 0.00 0.00 34.50 30.99 2iei s PRO 231 CO -0.02 -0.00 1.11 0.20 0.04 0.00 0.00 177.00 178.32 2iei s GLY 232 N 0.75 1.60 -0.71 0.56 0.00 0.54 -4.79 107.32 105.26 2iei s GLY 232 Ca 0.51 -0.30 -0.27 0.00 0.00 0.00 0.00 44.72 44.67 2iei s GLY 232 CO 0.29 0.20 1.25 -0.47 0.00 0.00 0.00 173.10 174.37 2iei s TYR 233 N -3.14 2.35 -1.47 1.90 5.04 -1.26 -4.22 117.35 116.56 2iei s TYR 233 Ca 0.63 0.00 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 2iei s TYR 233 Cb -0.16 -4.59 0.05 0.00 0.35 0.00 0.00 41.96 37.61 2iei s TYR 233 CO 0.55 -1.98 0.86 0.54 -1.34 0.00 0.00 175.55 174.18 2iei n ARG 234 N 9.15 -5.50 0.00 4.97 3.00 -0.41 -4.82 116.66 123.05 2iei n ARG 234 Ca 0.04 0.68 0.00 0.00 -0.01 0.00 0.00 57.85 58.56 2iei n ARG 234 Cb 0.49 -5.57 0.00 0.00 0.00 0.00 0.00 32.46 27.38 2iei n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2iei n ASN 235 N -2.71 1.03 -0.78 0.55 6.94 -1.26 -5.00 115.26 114.02 2iei n ASN 235 Ca -0.00 -1.29 -0.10 0.00 -0.02 0.00 0.00 54.58 53.17 2iei n ASN 235 Cb 0.55 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.93 2iei n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2iei n ASN 236 N -0.14 -4.99 -4.68 0.53 3.02 -1.26 -4.99 115.26 102.75 2iei n ASN 236 Ca 0.00 0.25 -0.38 0.00 -0.03 0.00 0.00 54.58 54.42 2iei n ASN 236 Cb 0.16 -3.38 -0.07 0.00 -0.61 0.00 0.00 39.78 35.88 2iei n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2iei s VAL 237 N -2.13 5.18 -0.28 2.41 1.01 -1.26 -4.81 120.40 120.53 2iei s VAL 237 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 61.98 62.81 2iei s VAL 237 Cb 0.00 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.69 2iei s VAL 237 CO 0.00 0.26 -0.01 -0.69 0.00 0.00 0.00 175.10 174.66 2iei s VAL 238 N 1.19 1.71 0.46 2.92 1.01 -1.26 -0.34 120.40 126.08 2iei s VAL 238 Ca 0.22 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.55 2iei s VAL 238 Cb -0.15 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.25 2iei s VAL 238 CO 0.09 -0.32 0.62 0.59 0.00 0.00 0.00 175.10 176.07 2iei n ASN 239 N 4.55 0.51 -4.11 3.32 5.03 -0.17 -4.62 115.26 119.77 2iei n ASN 239 Ca -0.06 -1.50 -0.25 0.00 0.87 0.00 0.00 54.58 53.64 2iei n ASN 239 Cb 0.43 -0.43 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 2iei n ASN 239 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2iei s THR 240 N -1.97 1.28 -0.23 3.41 2.01 -1.25 -0.15 115.64 118.74 2iei s THR 240 Ca 0.39 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 2iei s THR 240 Cb -0.02 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 2iei s THR 240 CO 0.26 0.37 0.07 -0.32 -0.69 0.00 0.00 174.62 174.31 2iei s MET 241 N -0.00 3.73 -0.26 4.92 1.75 -0.14 -2.15 119.30 127.14 2iei s MET 241 Ca -0.02 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 53.90 2iei s MET 241 Cb -0.10 -3.30 -0.01 0.00 2.84 0.00 0.00 34.83 34.26 2iei s MET 241 CO 0.01 -0.08 0.06 0.50 -0.65 0.00 0.00 175.02 174.86 2iei s ARG 242 N 1.34 3.43 -0.14 4.11 3.52 0.13 -1.12 118.95 130.22 2iei s ARG 242 Ca 0.05 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2iei s ARG 242 Cb -0.15 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2iei s ARG 242 CO 0.04 -0.28 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.56 2iei s LEU 243 N 1.56 2.39 -0.09 -0.88 1.43 -0.71 -1.28 118.68 121.09 2iei s LEU 243 Ca 0.05 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 2iei s LEU 243 Cb -0.16 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2iei s LEU 243 CO 0.02 0.12 0.45 0.26 0.23 0.00 0.00 176.35 177.43 2iei s TRP 244 N 0.62 3.56 -0.02 0.29 0.52 -0.18 -1.02 118.94 122.71 2iei s TRP 244 Ca -0.10 0.90 0.03 0.00 0.02 0.00 0.00 56.10 56.95 2iei s TRP 244 Cb -0.16 -2.48 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 2iei s TRP 244 CO 0.03 0.28 -0.08 -1.54 0.02 0.00 0.00 176.95 175.66 2iei s SER 245 N 0.22 4.56 0.11 2.95 1.04 -0.27 -0.87 113.70 121.43 2iei s SER 245 Ca 0.25 -0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.25 2iei s SER 245 Cb -0.15 -1.07 -0.06 0.00 0.10 0.00 0.00 66.02 64.84 2iei s SER 245 CO 0.11 0.31 1.02 0.00 0.98 0.00 0.00 173.24 175.65 2iei s ALA 246 N -0.93 3.28 -0.05 5.32 0.00 -1.26 -1.18 121.76 126.94 2iei s ALA 246 Ca 0.15 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2iei s ALA 246 Cb -0.11 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.71 2iei s ALA 246 CO 0.05 -0.14 -0.03 0.21 0.00 0.00 0.00 175.76 175.85 2iei s LYS 247 N 0.16 0.74 0.29 0.00 2.47 -0.26 -4.65 119.74 118.48 2iei s LYS 247 Ca 0.49 -0.04 -0.29 0.00 -1.56 0.00 0.00 55.97 54.57 2iei s LYS 247 Cb -0.25 -0.84 -0.10 0.00 -1.46 0.00 0.00 37.83 35.17 2iei s LYS 247 CO 0.31 -0.14 1.45 0.00 0.16 0.00 0.00 175.35 177.13 2iei s ALA 248 N 1.16 3.62 0.21 3.13 0.00 -1.26 -0.28 121.76 128.34 2iei s ALA 248 Ca -0.07 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 2iei s ALA 248 Cb -0.14 -3.57 0.19 0.00 0.00 0.00 0.00 23.12 19.60 2iei s ALA 248 CO -0.01 -0.82 1.61 -1.00 0.00 0.00 0.00 175.76 175.54 2iei h PRO 249 N 4.41 0.71 0.00 0.00 0.13 -1.95 -3.45 132.00 131.85 2iei h PRO 249 Ca -0.47 -0.31 -0.12 0.00 -0.87 0.00 0.00 66.00 64.22 2iei h PRO 249 Cb 1.22 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2iei h PRO 249 CO 0.74 0.91 -0.84 -0.92 -0.23 0.00 0.00 178.00 177.66 2iei h TYR 262 N 0.61 0.00 -0.59 1.56 3.20 -2.06 -3.51 116.97 116.17 2iei h TYR 262 Ca 0.07 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2iei h TYR 262 Cb 0.80 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2iei h TYR 262 CO 0.04 0.88 0.30 0.82 -1.64 0.00 0.00 178.16 178.57 2iei h ILE 263 N -1.00 1.20 -0.43 1.81 1.08 -2.06 -2.35 117.51 115.77 2iei h ILE 263 Ca -0.19 -0.55 -0.09 0.00 -0.39 0.00 0.00 64.86 63.64 2iei h ILE 263 Cb 0.95 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 2iei h ILE 263 CO -0.11 0.23 -0.11 -0.61 -0.69 0.00 0.00 178.15 176.85 2iei h GLN 264 N 0.81 0.77 -0.70 2.37 5.75 -2.05 -2.35 115.11 119.71 2iei h GLN 264 Ca 0.21 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2iei h GLN 264 Cb 0.09 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2iei h GLN 264 CO -0.03 0.85 0.44 0.00 -2.65 0.00 0.00 178.83 177.45 2iei h ALA 265 N 1.18 1.47 -0.16 3.38 0.00 -1.87 0.28 119.26 123.53 2iei h ALA 265 Ca 0.12 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2iei h ALA 265 Cb 0.59 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2iei h ALA 265 CO 0.04 0.48 -0.76 0.28 0.00 0.00 0.00 179.25 179.29 2iei h VAL 266 N 0.95 1.28 0.00 0.00 2.07 -1.18 -3.09 116.25 116.28 2iei h VAL 266 Ca 0.25 -1.96 -0.07 0.00 0.82 0.00 0.00 66.70 65.75 2iei h VAL 266 Cb -0.08 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2iei h VAL 266 CO -0.05 0.62 -0.31 -0.07 0.02 0.00 0.00 177.57 177.78 2iei h LEU 267 N 0.55 0.00 -0.25 2.57 3.38 -1.00 -2.96 115.31 117.59 2iei h LEU 267 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2iei h LEU 267 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2iei h LEU 267 CO 0.16 0.31 0.00 0.47 0.09 0.00 0.00 178.44 179.47 2iei n ASP 268 N -3.46 0.43 0.25 -0.43 9.92 0.94 -1.92 116.55 122.27 2iei n ASP 268 Ca 0.00 0.58 0.17 0.00 -0.53 0.00 0.00 54.79 55.00 2iei n ASP 268 Cb 0.48 -0.68 0.88 0.00 -0.64 0.00 0.00 41.12 41.16 2iei n ASP 268 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2iei h ARG 269 N 0.00 0.00 -0.81 -1.24 3.08 -1.49 -2.60 114.38 111.32 2iei h ARG 269 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2iei h ARG 269 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 2iei h ARG 269 CO 0.00 0.00 0.53 -0.91 -1.07 0.00 0.00 179.97 178.52 2iei h ASN 270 N 0.00 0.88 0.02 7.04 2.35 -1.60 -2.88 115.58 121.40 2iei h ASN 270 Ca 0.05 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2iei h ASN 270 Cb 0.31 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 2iei h ASN 270 CO -0.00 0.62 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.29 2iei h LEU 271 N 1.03 -0.09 -0.83 1.61 3.38 -1.69 0.20 115.31 118.93 2iei h LEU 271 Ca 0.32 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.32 2iei h LEU 271 Cb -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2iei h LEU 271 CO -0.09 -0.05 0.54 0.00 0.09 0.00 0.00 178.44 178.93 2iei h ALA 272 N 0.90 1.07 0.00 1.53 0.00 -1.72 -2.86 119.26 118.19 2iei h ALA 272 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iei h ALA 272 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2iei h ALA 272 CO -0.02 0.40 0.00 0.93 0.00 0.00 0.00 179.25 180.57 2iei h GLU 273 N 1.07 0.00 0.00 0.00 5.08 -1.18 -3.01 114.58 116.55 2iei h GLU 273 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2iei h GLU 273 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2iei h GLU 273 CO -0.09 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.01 2iei n ASN 274 N -2.33 0.55 -0.24 1.42 3.02 0.66 -3.22 115.26 115.11 2iei n ASN 274 Ca 0.04 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 2iei n ASN 274 Cb 0.34 -0.78 0.22 0.00 -0.61 0.00 0.00 39.78 38.95 2iei n ASN 274 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2iei h ILE 275 N 0.00 1.21 -0.54 2.41 2.04 -1.69 -2.14 117.51 118.79 2iei h ILE 275 Ca 0.00 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 2iei h ILE 275 Cb 0.22 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 2iei h ILE 275 CO 0.00 0.20 0.10 -1.54 0.00 0.00 0.00 178.15 176.91 2iei n SER 276 N -4.41 4.74 0.14 1.72 3.41 -1.20 -4.68 113.62 113.33 2iei n SER 276 Ca 0.09 -3.12 -0.12 0.00 -0.26 0.00 0.00 58.87 55.45 2iei n SER 276 Cb 0.03 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.23 2iei n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2iei h ARG 277 N 2.75 -0.37 -3.47 4.33 9.65 -1.51 -2.03 114.38 123.73 2iei h ARG 277 Ca 0.12 0.03 -0.19 0.00 -1.10 0.00 0.00 59.98 58.83 2iei h ARG 277 Cb 1.97 0.08 -0.26 0.00 -1.39 0.00 0.00 29.97 30.37 2iei h ARG 277 CO 0.51 -0.03 -0.58 0.54 2.80 0.00 0.00 179.97 183.22 2iei s VAL 278 N -4.17 0.01 0.12 0.20 0.11 -1.26 -0.65 120.40 114.76 2iei s VAL 278 Ca -0.13 -0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.52 2iei s VAL 278 Cb 0.01 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.59 2iei s VAL 278 CO 0.49 -0.05 1.31 -0.22 -3.33 0.00 0.00 175.10 173.31 2iei s LEU 279 N -0.11 4.38 -0.04 2.54 2.96 -0.62 -4.98 118.68 122.81 2iei s LEU 279 Ca -0.02 2.25 -0.30 0.00 -0.22 0.00 0.00 54.13 55.84 2iei s LEU 279 Cb -0.02 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.03 2iei s LEU 279 CO 0.00 -0.57 1.60 -0.31 -1.32 0.00 0.00 176.35 175.76 2iei s TYR 280 N 0.87 2.16 -0.40 5.38 1.51 -1.26 -4.81 117.35 120.80 2iei s TYR 280 Ca 0.61 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.99 2iei s TYR 280 Cb -0.35 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.63 2iei s TYR 280 CO 0.31 -3.58 0.77 -0.35 -1.11 0.00 0.00 175.55 171.60 2iei n PRO 281 N 6.78 0.97 -2.88 -1.71 -0.04 -1.26 -4.78 135.00 132.08 2iei n PRO 281 Ca 0.16 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 2iei n PRO 281 Cb 0.43 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 2iei n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2iei s ASN 282 N 0.58 6.31 -0.27 3.54 -0.87 -1.26 -4.51 114.94 118.46 2iei s ASN 282 Ca 0.00 -0.49 -0.10 0.00 -1.57 0.00 0.00 52.86 50.70 2iei s ASN 282 Cb 0.00 -2.42 -0.05 0.00 -0.02 0.00 0.00 41.25 38.77 2iei s ASN 282 CO 0.00 -1.21 0.16 -0.62 -2.57 0.00 0.00 177.10 172.86 2iei s ASP 283 N 2.91 5.89 -1.79 -1.22 2.15 -1.26 -4.55 116.67 118.80 2iei s ASP 283 Ca 0.28 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2iei s ASP 283 Cb -0.14 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2iei s ASP 283 CO 0.17 -0.02 0.00 0.59 -0.17 0.00 0.00 175.17 175.74 2iei n ASN 284 N 4.86 -5.80 -3.95 -0.34 4.13 -1.26 -4.99 115.26 107.91 2iei n ASN 284 Ca -0.15 0.04 -0.09 0.00 1.68 0.00 0.00 54.58 56.06 2iei n ASN 284 Cb 0.52 -4.86 -0.10 0.00 -1.54 0.00 0.00 39.78 33.80 2iei n ASN 284 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2iei s PHE 285 N -3.00 0.22 -0.06 3.10 5.36 -1.26 -3.87 117.98 118.46 2iei s PHE 285 Ca 0.00 -0.48 0.04 0.00 -0.96 0.00 0.00 56.93 55.53 2iei s PHE 285 Cb 0.00 -0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2iei s PHE 285 CO 0.00 -0.29 -0.19 0.12 -1.46 0.00 0.00 175.22 173.40 2iei s PHE 286 N -2.07 1.94 0.01 10.12 5.36 -0.26 -4.82 117.98 128.26 2iei s PHE 286 Ca -0.10 -0.66 0.02 0.00 -0.96 0.00 0.00 56.93 55.23 2iei s PHE 286 Cb -0.05 -1.32 -0.01 0.00 -0.34 0.00 0.00 43.02 41.30 2iei s PHE 286 CO -0.02 -0.25 -0.05 -2.00 -1.46 0.00 0.00 175.22 171.43 2iei s GLU 287 N 0.22 0.41 -0.73 10.12 2.12 -1.26 -4.96 118.70 124.62 2iei s GLU 287 Ca -0.10 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.84 2iei s GLU 287 Cb -0.14 -0.34 -0.18 0.00 0.26 0.00 0.00 34.13 33.73 2iei s GLU 287 CO 0.04 0.09 3.22 0.41 -0.54 0.00 0.00 175.26 178.48 2iei n GLY 288 N 2.59 3.49 3.71 -1.50 0.00 -1.26 -4.93 105.19 107.30 2iei n GLY 288 Ca -0.15 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2iei n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iei s LYS 289 N 1.64 4.29 0.31 1.61 3.01 -1.26 -4.92 119.74 124.43 2iei s LYS 289 Ca 0.66 2.12 0.03 0.00 -1.01 0.00 0.00 55.97 57.76 2iei s LYS 289 Cb 0.24 -3.29 0.51 0.00 -1.01 0.00 0.00 37.83 34.28 2iei s LYS 289 CO -0.03 -0.49 1.81 1.49 0.51 0.00 0.00 175.35 178.64 2iei h GLU 290 N 7.01 0.53 -0.65 1.68 4.81 -2.00 -2.27 114.58 123.69 2iei h GLU 290 Ca -0.42 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.61 2iei h GLU 290 Cb 1.20 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2iei h GLU 290 CO 0.88 0.63 0.20 1.25 -0.73 0.00 0.00 179.01 181.23 2iei h LEU 291 N 0.49 0.93 -0.05 1.64 5.85 -1.99 -1.49 115.31 120.69 2iei h LEU 291 Ca 0.09 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2iei h LEU 291 Cb 0.47 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2iei h LEU 291 CO 0.03 0.88 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.87 2iei h ARG 292 N 0.96 -0.04 -0.87 1.25 1.12 -1.82 -1.22 114.38 113.76 2iei h ARG 292 Ca 0.21 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.15 2iei h ARG 292 Cb 0.29 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.19 2iei h ARG 292 CO -0.01 -0.03 0.54 1.25 -3.11 0.00 0.00 179.97 178.61 2iei h LEU 293 N -0.04 0.83 -1.05 3.80 5.85 -1.20 -1.50 115.31 122.00 2iei h LEU 293 Ca 0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2iei h LEU 293 Cb 0.09 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2iei h LEU 293 CO -0.08 0.52 0.37 0.11 -0.34 0.00 0.00 178.44 179.02 2iei h LYS 294 N 0.96 1.04 -0.31 1.25 1.57 -0.93 -1.71 116.57 118.44 2iei h LYS 294 Ca 0.39 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2iei h LYS 294 Cb 0.21 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2iei h LYS 294 CO -0.19 0.79 0.15 1.96 -0.57 0.00 0.00 179.45 181.59 2iei h GLN 295 N 1.04 0.44 -0.22 3.15 4.20 -0.51 0.29 115.11 123.51 2iei h GLN 295 Ca 0.26 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.80 2iei h GLN 295 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2iei h GLN 295 CO -0.04 0.42 -0.28 0.93 -0.67 0.00 0.00 178.83 179.19 2iei h GLU 296 N 0.36 0.44 0.00 1.46 5.08 -0.99 -2.01 114.58 118.92 2iei h GLU 296 Ca 0.10 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 2iei h GLU 296 Cb 0.12 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2iei h GLU 296 CO -0.01 0.68 -0.70 -0.92 -1.00 0.00 0.00 179.01 177.06 2iei h TYR 297 N 0.38 0.70 -0.55 4.33 3.20 -1.27 -2.60 116.97 121.16 2iei h TYR 297 Ca 0.05 -0.38 0.09 0.00 3.14 0.00 0.00 58.73 61.63 2iei h TYR 297 Cb 0.70 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.79 2iei h TYR 297 CO 0.02 1.21 -0.42 0.35 -1.64 0.00 0.00 178.16 177.68 2iei h PHE 298 N -0.01 -1.24 -0.78 -3.82 3.57 -0.72 0.34 116.94 114.29 2iei h PHE 298 Ca -0.09 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2iei h PHE 298 Cb 1.41 0.62 -0.03 0.00 2.79 0.00 0.00 35.95 40.73 2iei h PHE 298 CO 0.14 -0.42 0.32 -0.24 -2.23 0.00 0.00 178.31 175.88 2iei h VAL 299 N -0.24 1.26 0.20 1.41 3.04 -1.45 -2.66 116.25 117.82 2iei h VAL 299 Ca 0.18 -0.80 -0.01 0.00 -1.01 0.00 0.00 66.70 65.06 2iei h VAL 299 Cb 0.56 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 2iei h VAL 299 CO -0.67 0.33 -0.10 0.58 -1.01 0.00 0.00 177.57 176.70 2iei h VAL 300 N 1.12 0.88 -0.50 1.51 2.07 -0.81 -2.32 116.25 118.21 2iei h VAL 300 Ca 0.26 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2iei h VAL 300 Cb 0.20 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2iei h VAL 300 CO -0.02 0.10 0.19 0.00 0.02 0.00 0.00 177.57 177.85 2iei h ALA 301 N 0.25 0.65 0.37 1.67 0.00 -0.39 -1.15 119.26 120.65 2iei h ALA 301 Ca -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2iei h ALA 301 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2iei h ALA 301 CO 0.05 0.27 -0.18 0.00 0.00 0.00 0.00 179.25 179.39 2iei h ALA 302 N 1.03 -0.49 -0.45 0.00 0.00 -1.53 -2.32 119.26 115.50 2iei h ALA 302 Ca 0.16 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2iei h ALA 302 Cb 0.22 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 2iei h ALA 302 CO -0.01 -0.60 -0.44 1.15 0.00 0.00 0.00 179.25 179.35 2iei h THR 303 N -0.85 0.10 -0.72 0.00 2.02 -1.45 -0.73 112.91 111.29 2iei h THR 303 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2iei h THR 303 Cb 0.53 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2iei h THR 303 CO 0.08 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 176.33 2iei h LEU 304 N -0.31 0.86 -0.64 2.58 3.38 -1.26 0.32 115.31 120.24 2iei h LEU 304 Ca 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2iei h LEU 304 Cb 0.58 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2iei h LEU 304 CO -0.60 0.66 0.29 -0.61 0.09 0.00 0.00 178.44 178.27 2iei h GLN 305 N 0.99 0.93 -0.52 1.13 4.15 -1.13 -1.17 115.11 119.49 2iei h GLN 305 Ca 0.26 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 2iei h GLN 305 Cb -0.04 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 2iei h GLN 305 CO -0.05 0.76 0.04 0.22 -1.93 0.00 0.00 178.83 177.87 2iei h ASP 306 N 0.88 0.86 -0.29 -0.69 3.58 0.04 -1.85 116.42 118.94 2iei h ASP 306 Ca 0.22 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.39 2iei h ASP 306 Cb 0.15 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2iei h ASP 306 CO -0.02 0.93 0.19 0.40 -2.88 0.00 0.00 179.24 177.85 2iei h ILE 307 N 0.76 1.06 -0.58 2.25 2.04 -0.18 -1.99 117.51 120.87 2iei h ILE 307 Ca 0.15 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2iei h ILE 307 Cb 0.46 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2iei h ILE 307 CO 0.02 0.07 0.16 0.40 0.00 0.00 0.00 178.15 178.80 2iei h ILE 308 N 0.38 1.25 -0.27 -0.67 2.04 -1.10 -1.22 117.51 117.91 2iei h ILE 308 Ca 0.11 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.16 2iei h ILE 308 Cb -0.03 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 2iei h ILE 308 CO -0.03 0.32 -0.04 -0.09 0.00 0.00 0.00 178.15 178.31 2iei h ARG 309 N 0.83 0.03 -0.29 2.37 2.43 -1.20 -1.70 114.38 116.85 2iei h ARG 309 Ca 0.19 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2iei h ARG 309 Cb 0.32 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2iei h ARG 309 CO -0.00 0.02 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.37 2iei h ARG 310 N 0.03 0.44 -0.46 0.20 2.43 -1.09 -1.64 114.38 114.28 2iei h ARG 310 Ca 0.13 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2iei h ARG 310 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2iei h ARG 310 CO -0.26 0.48 -0.12 0.35 -1.51 0.00 0.00 179.97 178.91 2iei h PHE 311 N 0.42 0.94 0.10 2.20 3.57 -0.59 -3.21 116.94 120.37 2iei h PHE 311 Ca 0.09 -0.18 -0.26 0.00 3.53 0.00 0.00 57.97 61.15 2iei h PHE 311 Cb 0.30 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2iei h PHE 311 CO 0.01 0.91 -1.18 0.87 -2.23 0.00 0.00 178.31 176.70 2iei h LYS 312 N 0.76 0.26 0.00 1.11 1.57 -0.82 -3.51 116.57 115.94 2iei h LYS 312 Ca 0.12 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2iei h LYS 312 Cb 0.62 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.09 2iei h LYS 312 CO 0.04 1.18 0.00 0.43 -0.57 0.00 0.00 179.45 180.53 2iei n SER 313 N -3.55 0.00 0.00 0.86 7.64 -0.66 -5.12 113.62 112.78 2iei n SER 313 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2iei n SER 313 Cb 0.99 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 2iei n SER 313 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2iei n PHE 326 N -0.13 0.00 -0.32 1.43 3.72 -1.26 -5.01 117.46 115.89 2iei n PHE 326 Ca 0.00 -0.24 -0.03 0.00 -0.05 0.00 0.00 57.45 57.14 2iei n PHE 326 Cb 0.00 -0.02 0.12 0.00 -0.94 0.00 0.00 39.48 38.63 2iei n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2iei h ASP 327 N 0.00 1.09 0.24 4.37 3.32 -2.02 -2.00 116.42 121.41 2iei h ASP 327 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2iei h ASP 327 Cb 0.59 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2iei h ASP 327 CO 0.00 0.85 -0.03 0.00 -1.72 0.00 0.00 179.24 178.34 2iei n ALA 328 N -2.41 2.65 -0.08 3.45 0.00 -1.26 -4.27 120.51 118.60 2iei n ALA 328 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 2iei n ALA 328 Cb 0.08 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 2iei n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2iei h PHE 329 N 0.43 -0.13 0.00 0.00 3.57 -1.78 0.07 116.94 119.11 2iei h PHE 329 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2iei h PHE 329 Cb 0.23 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2iei h PHE 329 CO 0.00 -0.12 0.00 -2.30 -2.23 0.00 0.00 178.31 173.66 2iei n PRO 330 N -5.24 0.15 0.21 6.41 -0.02 -1.26 -0.45 135.00 134.80 2iei n PRO 330 Ca 0.00 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2iei n PRO 330 Cb 0.17 -1.79 0.27 0.00 -0.02 0.00 0.00 33.50 32.13 2iei n PRO 330 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2iei h ASP 331 N 0.00 0.00 -0.00 2.55 3.32 -1.26 -3.34 116.42 117.70 2iei h ASP 331 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2iei h ASP 331 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2iei h ASP 331 CO 0.00 0.00 -0.15 0.29 -1.72 0.00 0.00 179.24 177.66 2iei n LYS 332 N -2.97 5.68 -4.05 3.56 5.02 -0.82 -4.54 118.16 120.04 2iei n LYS 332 Ca 0.04 -0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.09 2iei n LYS 332 Cb 0.49 -0.67 -0.17 0.00 -0.02 0.00 0.00 35.03 34.66 2iei n LYS 332 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2iei s VAL 333 N -1.29 0.56 -0.12 -0.18 1.01 0.40 -0.80 120.40 119.98 2iei s VAL 333 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2iei s VAL 333 Cb 0.03 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2iei s VAL 333 CO 0.14 0.25 -0.22 0.00 0.00 0.00 0.00 175.10 175.26 2iei s ALA 334 N 1.25 2.19 -0.26 5.51 0.00 -0.18 -4.50 121.76 125.77 2iei s ALA 334 Ca -0.06 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 2iei s ALA 334 Cb -0.14 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.09 2iei s ALA 334 CO -0.02 0.09 -0.03 0.42 0.00 0.00 0.00 175.76 176.22 2iei s ILE 335 N 0.65 3.16 -0.25 0.00 1.01 -0.95 -0.16 121.20 124.66 2iei s ILE 335 Ca -0.11 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 2iei s ILE 335 Cb -0.16 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 2iei s ILE 335 CO 0.02 0.17 0.17 -1.58 0.00 0.00 0.00 174.94 173.73 2iei s GLN 336 N 1.37 4.05 -0.46 2.79 2.00 -0.16 -1.84 119.66 127.41 2iei s GLN 336 Ca 0.01 -0.26 -0.20 0.00 -2.00 0.00 0.00 55.36 52.91 2iei s GLN 336 Cb -0.17 -3.56 0.04 0.00 0.80 0.00 0.00 33.01 30.12 2iei s GLN 336 CO -0.03 0.01 0.61 -0.51 -0.50 0.00 0.00 175.29 174.88 2iei s LEU 337 N 1.19 4.72 -0.85 3.68 1.43 0.27 -1.05 118.68 128.07 2iei s LEU 337 Ca 0.08 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.32 2iei s LEU 337 Cb -0.14 -2.57 0.04 0.00 0.03 0.00 0.00 46.19 43.55 2iei s LEU 337 CO 0.06 -0.80 1.34 0.21 0.23 0.00 0.00 176.35 177.39 2iei s ASN 338 N 2.24 6.29 0.51 2.29 2.47 -0.66 -1.56 114.94 126.52 2iei s ASN 338 Ca 0.18 -0.84 0.00 0.00 0.42 0.00 0.00 52.86 52.62 2iei s ASN 338 Cb -0.16 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 2iei s ASN 338 CO 0.15 -1.71 0.00 -0.67 -3.72 0.00 0.00 177.10 171.16 2iei n ASP 339 N 9.17 -3.21 -0.31 -4.21 -0.08 -0.51 -4.30 116.55 113.11 2iei n ASP 339 Ca 0.15 0.03 0.13 0.00 -1.51 0.00 0.00 54.79 53.59 2iei n ASP 339 Cb 0.50 -0.09 0.46 0.00 2.34 0.00 0.00 41.12 44.33 2iei n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2iei n THR 340 N -1.11 0.00 -0.22 5.18 -2.24 -1.26 -4.29 114.28 110.34 2iei n THR 340 Ca 0.00 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.63 2iei n THR 340 Cb 0.01 0.37 0.13 0.00 -2.10 0.00 0.00 70.33 68.74 2iei n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2iei h HIS 341 N 1.51 0.37 -0.45 4.78 3.86 -1.97 0.15 115.15 123.40 2iei h HIS 341 Ca 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2iei h HIS 341 Cb 0.48 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2iei h HIS 341 CO 0.00 0.06 0.09 -0.35 0.86 0.00 0.00 177.93 178.59 2iei n PRO 342 N -5.03 3.32 -0.23 2.45 -0.04 -1.26 -4.59 135.00 129.62 2iei n PRO 342 Ca 0.10 -2.14 0.29 0.00 -0.04 0.00 0.00 63.50 61.71 2iei n PRO 342 Cb 0.32 -1.99 0.69 0.00 -0.04 0.00 0.00 33.50 32.49 2iei n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2iei h SER 343 N 2.33 0.08 0.00 3.54 4.64 -0.94 0.10 113.55 123.30 2iei h SER 343 Ca 0.09 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2iei h SER 343 Cb 1.67 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 2iei h SER 343 CO 0.42 0.02 0.30 -0.07 -0.87 0.00 0.00 176.83 176.63 2iei h LEU 344 N 0.07 0.00 -1.89 5.97 4.07 -1.81 -1.01 115.31 120.71 2iei h LEU 344 Ca 0.48 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.53 2iei h LEU 344 Cb 1.79 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.51 2iei h LEU 344 CO -0.05 0.00 0.27 0.00 -1.08 0.00 0.00 178.44 177.58 2iei h ALA 345 N 1.38 2.20 0.75 1.53 0.00 -1.33 -0.50 119.26 123.29 2iei h ALA 345 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2iei h ALA 345 Cb 0.59 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2iei h ALA 345 CO 0.00 -0.29 -0.36 0.82 0.00 0.00 0.00 179.25 179.41 2iei h ILE 346 N 0.13 0.00 0.00 0.00 2.04 -1.41 -1.11 117.51 117.16 2iei h ILE 346 Ca 0.18 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 2iei h ILE 346 Cb 0.55 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2iei h ILE 346 CO -0.02 0.00 -0.32 1.55 0.00 0.00 0.00 178.15 179.36 2iei h PRO 347 N -1.05 0.00 -0.44 2.37 0.13 -1.73 -2.51 132.00 128.77 2iei h PRO 347 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.89 2iei h PRO 347 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2iei h PRO 347 CO 0.17 0.32 -0.26 1.49 -0.23 0.00 0.00 178.00 179.49 2iei h GLU 348 N 0.00 0.93 -0.32 0.86 4.57 -1.09 0.69 114.58 120.23 2iei h GLU 348 Ca -0.00 -0.41 -0.13 0.00 -1.18 0.00 0.00 59.36 57.63 2iei h GLU 348 Cb 0.70 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2iei h GLU 348 CO 0.04 1.07 -0.35 1.25 -1.18 0.00 0.00 179.01 179.84 2iei h LEU 349 N 0.80 0.75 -1.09 1.64 5.85 -1.19 -1.17 115.31 120.89 2iei h LEU 349 Ca 0.10 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2iei h LEU 349 Cb 0.82 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2iei h LEU 349 CO 0.07 1.03 0.35 0.24 -0.34 0.00 0.00 178.44 179.79 2iei h MET 350 N 0.59 0.99 -0.54 1.25 2.86 -1.04 -1.71 114.93 117.34 2iei h MET 350 Ca 0.06 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2iei h MET 350 Cb 0.88 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.33 2iei h MET 350 CO 0.08 0.75 0.05 -0.09 1.06 0.00 0.00 176.91 178.75 2iei h ARG 351 N 0.99 0.92 0.26 1.72 2.43 0.73 -2.39 114.38 119.04 2iei h ARG 351 Ca 0.24 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2iei h ARG 351 Cb 0.08 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2iei h ARG 351 CO -0.03 0.91 -0.13 0.28 -1.51 0.00 0.00 179.97 179.49 2iei h VAL 352 N 0.80 0.67 -0.75 0.20 2.07 -1.02 -1.27 116.25 116.95 2iei h VAL 352 Ca 0.16 -0.82 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2iei h VAL 352 Cb 0.47 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2iei h VAL 352 CO 0.02 0.15 0.39 -0.07 0.02 0.00 0.00 177.57 178.07 2iei h LEU 353 N -0.85 0.52 0.00 2.57 3.38 -1.40 -0.13 115.31 119.40 2iei h LEU 353 Ca -0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2iei h LEU 353 Cb 0.51 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2iei h LEU 353 CO 0.06 0.29 -0.06 0.58 0.09 0.00 0.00 178.44 179.40 2iei h VAL 354 N 0.65 1.39 0.00 1.22 2.07 -1.50 0.60 116.25 120.68 2iei h VAL 354 Ca 0.37 -2.06 -0.20 0.00 0.82 0.00 0.00 66.70 65.63 2iei h VAL 354 Cb 0.38 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2iei h VAL 354 CO -0.27 0.47 -0.99 0.44 0.02 0.00 0.00 177.57 177.24 2iei h ASP 355 N -1.00 0.00 0.00 0.57 3.32 -1.29 -2.95 116.42 115.07 2iei h ASP 355 Ca -0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 2iei h ASP 355 Cb 0.81 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 2iei h ASP 355 CO -0.01 0.91 -1.56 0.18 -1.72 0.00 0.00 179.24 177.04 2iei n LEU 356 N -3.29 2.85 -0.21 1.55 4.77 -0.63 -4.54 117.00 117.51 2iei n LEU 356 Ca -0.01 -0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2iei n LEU 356 Cb 0.91 -0.32 0.35 0.00 -2.33 0.00 0.00 43.42 42.03 2iei n LEU 356 CO 0.46 0.65 0.62 -0.62 -1.33 0.00 0.00 177.39 177.16 2iei n GLU 357 N -2.77 0.70 -3.13 3.23 -0.58 -0.15 -4.97 120.64 112.97 2iei n GLU 357 Ca -0.17 -0.42 -0.22 0.00 -0.42 0.00 0.00 57.16 55.93 2iei n GLU 357 Cb 0.69 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 30.11 2iei n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2iei n ARG 358 N -0.79 -5.52 -3.16 3.49 3.00 -0.83 -4.93 116.66 107.92 2iei n ARG 358 Ca 0.11 0.88 -0.33 0.00 -0.01 0.00 0.00 57.85 58.50 2iei n ARG 358 Cb 0.35 -5.74 -0.06 0.00 0.00 0.00 0.00 32.46 27.00 2iei n ARG 358 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2iei s LEU 359 N -6.70 4.13 0.62 0.55 1.43 0.14 -4.99 118.68 113.87 2iei s LEU 359 Ca 0.36 1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 2iei s LEU 359 Cb -0.16 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.09 2iei s LEU 359 CO 0.45 -0.15 1.26 1.51 0.23 0.00 0.00 176.35 179.65 2iei s ASP 360 N -2.16 4.89 0.07 2.29 1.47 -1.26 -4.36 116.67 117.61 2iei s ASP 360 Ca 0.51 2.54 -0.34 0.00 1.18 0.00 0.00 52.55 56.44 2iei s ASP 360 Cb -0.12 -2.61 -0.19 0.00 -0.34 0.00 0.00 42.92 39.66 2iei s ASP 360 CO 0.18 -1.81 1.61 -0.25 0.68 0.00 0.00 175.17 175.59 2iei h TRP 361 N 0.75 -0.96 -0.92 2.11 7.01 -1.97 -1.02 115.95 120.95 2iei h TRP 361 Ca -0.51 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 60.61 2iei h TRP 361 Cb 1.32 0.32 -0.07 0.00 -2.10 0.00 0.00 29.16 28.63 2iei h TRP 361 CO 0.44 -0.59 0.59 -0.44 -2.79 0.00 0.00 178.44 175.64 2iei h ASP 362 N -1.02 0.72 -0.19 2.65 3.32 -1.99 0.01 116.42 119.92 2iei h ASP 362 Ca -0.10 0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.79 2iei h ASP 362 Cb 0.79 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.25 2iei h ASP 362 CO 0.16 0.36 -0.65 0.50 -1.72 0.00 0.00 179.24 177.89 2iei h LYS 363 N 0.76 0.78 -0.58 3.56 1.63 -1.91 -1.89 116.57 118.92 2iei h LYS 363 Ca 0.46 -0.58 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 2iei h LYS 363 Cb 0.68 0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.39 2iei h LYS 363 CO -0.23 1.20 0.14 0.00 -3.45 0.00 0.00 179.45 177.11 2iei h ALA 364 N 0.58 1.14 -0.12 5.00 0.00 -0.23 -1.98 119.26 123.66 2iei h ALA 364 Ca -0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 2iei h ALA 364 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2iei h ALA 364 CO 0.14 0.58 -0.59 2.35 0.00 0.00 0.00 179.25 181.73 2iei h TRP 365 N 0.87 0.49 -0.27 0.00 2.91 -1.04 0.17 115.95 119.07 2iei h TRP 365 Ca 0.19 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 2iei h TRP 365 Cb 0.32 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 2iei h TRP 365 CO 0.02 0.88 0.10 0.93 -1.03 0.00 0.00 178.44 179.33 2iei h GLU 366 N 0.29 0.42 -0.35 2.65 4.39 -1.13 -2.37 114.58 118.48 2iei h GLU 366 Ca -0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2iei h GLU 366 Cb 1.11 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2iei h GLU 366 CO 0.10 0.47 0.21 0.28 -1.16 0.00 0.00 179.01 178.91 2iei h VAL 367 N 0.29 1.11 0.05 3.13 2.07 -1.23 -2.44 116.25 119.23 2iei h VAL 367 Ca 0.09 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2iei h VAL 367 Cb 0.21 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2iei h VAL 367 CO -0.00 0.11 -0.08 0.74 0.02 0.00 0.00 177.57 178.36 2iei h THR 368 N 0.45 0.81 -0.60 2.57 2.02 -0.66 -2.07 112.91 115.43 2iei h THR 368 Ca 0.12 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 2iei h THR 368 Cb -0.00 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2iei h THR 368 CO -0.02 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.46 2iei h VAL 369 N -0.17 1.26 0.00 3.16 2.07 -1.41 -1.83 116.25 119.33 2iei h VAL 369 Ca 0.01 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2iei h VAL 369 Cb 0.18 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2iei h VAL 369 CO -0.04 0.41 -0.06 0.11 0.02 0.00 0.00 177.57 178.01 2iei h LYS 370 N 0.96 0.00 0.02 1.57 1.57 -1.36 -2.24 116.57 117.08 2iei h LYS 370 Ca 0.17 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2iei h LYS 370 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2iei h LYS 370 CO 0.03 0.06 -0.34 1.15 -0.57 0.00 0.00 179.45 179.77 2iei h THR 371 N 0.00 1.59 -3.35 -0.16 2.02 -0.88 -3.47 112.91 108.65 2iei h THR 371 Ca -0.00 -2.34 -0.55 0.00 0.77 0.00 0.00 66.41 64.29 2iei h THR 371 Cb 0.46 3.15 -0.04 0.00 -1.74 0.00 0.00 68.15 69.97 2iei h THR 371 CO 0.01 0.57 -0.05 0.00 0.37 0.00 0.00 175.52 176.42 2iei s ALA 373 N -1.43 0.37 -0.09 0.00 0.00 -0.77 -1.87 121.76 117.97 2iei s ALA 373 Ca 0.38 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.56 2iei s ALA 373 Cb -0.16 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.12 2iei s ALA 373 CO 0.19 -0.17 -0.19 -0.47 0.00 0.00 0.00 175.76 175.13 2iei s TYR 374 N -2.06 2.11 -0.26 0.00 5.04 0.72 -0.57 117.35 122.33 2iei s TYR 374 Ca -0.08 -0.86 -0.06 0.00 -2.44 0.00 0.00 57.07 53.63 2iei s TYR 374 Cb -0.06 -1.45 -0.00 0.00 0.35 0.00 0.00 41.96 40.80 2iei s TYR 374 CO -0.03 -0.38 0.03 0.99 -1.34 0.00 0.00 175.55 174.83 2iei s THR 375 N 0.52 3.78 0.01 4.34 2.01 -0.60 -0.97 115.64 124.72 2iei s THR 375 Ca -0.16 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 2iei s THR 375 Cb -0.17 -2.85 -0.06 0.00 0.01 0.00 0.00 72.50 69.43 2iei s THR 375 CO 0.06 0.23 0.58 0.21 -0.69 0.00 0.00 174.62 175.01 2iei s ASN 376 N 1.50 6.98 0.00 3.53 3.84 -0.05 -1.42 114.94 129.31 2iei s ASN 376 Ca 0.04 1.16 0.08 0.00 0.21 0.00 0.00 52.86 54.35 2iei s ASN 376 Cb -0.16 -2.36 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 2iei s ASN 376 CO 0.01 0.14 0.46 1.41 -2.79 0.00 0.00 177.10 176.32 2iei n HIS 377 N 2.56 0.00 -3.63 0.43 8.25 -1.26 -4.03 115.22 117.53 2iei n HIS 377 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 2iei n HIS 377 Cb 0.51 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 2iei n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2iei s THR 378 N -1.44 0.00 -1.93 1.59 -1.32 -1.26 -4.51 115.64 106.77 2iei s THR 378 Ca 0.05 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.77 2iei s THR 378 Cb 0.06 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.17 2iei s THR 378 CO 0.26 0.00 1.29 1.33 -2.21 0.00 0.00 174.62 175.29 2iei n VAL 379 N 2.46 0.00 -1.88 5.08 0.24 -1.26 -4.94 118.33 118.03 2iei n VAL 379 Ca -0.13 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 2iei n VAL 379 Cb 0.55 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 2iei n VAL 379 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2iei s ILE 380 N -2.48 3.28 0.36 1.34 1.01 -1.26 -4.91 121.20 118.54 2iei s ILE 380 Ca 0.21 0.43 0.11 0.00 0.00 0.00 0.00 60.65 61.40 2iei s ILE 380 Cb 0.19 -3.28 0.09 0.00 0.01 0.00 0.00 42.46 39.47 2iei s ILE 380 CO 0.55 -0.03 1.82 -0.65 0.00 0.00 0.00 174.94 176.62 2iei h PRO 381 N 9.64 0.07 0.00 2.79 0.11 -1.96 -2.27 132.00 140.38 2iei h PRO 381 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2iei h PRO 381 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2iei h PRO 381 CO 0.95 0.41 0.00 1.05 -0.21 0.00 0.00 178.00 180.20 2iei h GLU 382 N 0.06 0.00 0.00 1.05 9.09 -1.91 -2.61 114.58 120.27 2iei h GLU 382 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 2iei h GLU 382 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 2iei h GLU 382 CO 0.05 0.00 -0.37 0.00 0.05 0.00 0.00 179.01 178.73 2iei h ALA 383 N 2.15 0.79 -2.41 1.06 0.00 -1.51 -0.68 119.26 118.67 2iei h ALA 383 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2iei h ALA 383 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2iei h ALA 383 CO 0.00 0.00 0.97 -1.17 0.00 0.00 0.00 179.25 179.05 2iei s LEU 384 N -5.34 4.35 -0.34 0.00 1.98 -0.99 -4.40 118.68 113.94 2iei s LEU 384 Ca 0.06 2.36 -0.29 0.00 -2.89 0.00 0.00 54.13 53.37 2iei s LEU 384 Cb 0.09 -3.56 0.01 0.00 0.66 0.00 0.00 46.19 43.39 2iei s LEU 384 CO 0.70 -0.85 1.24 -1.61 -1.89 0.00 0.00 176.35 173.93 2iei s GLU 385 N 2.76 3.89 -0.35 1.98 2.02 -1.26 -4.82 118.70 122.92 2iei s GLU 385 Ca 0.71 1.07 0.01 0.00 0.02 0.00 0.00 54.97 56.78 2iei s GLU 385 Cb -0.37 -3.86 0.11 0.00 0.10 0.00 0.00 34.13 30.11 2iei s GLU 385 CO 0.30 -1.15 0.13 1.03 0.02 0.00 0.00 175.26 175.59 2iei s ARG 386 N 4.17 0.97 0.03 1.61 0.52 -1.26 -1.78 118.95 123.21 2iei s ARG 386 Ca 0.53 -1.44 -0.26 0.00 -0.52 0.00 0.00 55.73 54.05 2iei s ARG 386 Cb -0.14 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.04 2iei s ARG 386 CO 0.23 -1.03 0.79 -1.58 0.02 0.00 0.00 175.30 173.74 2iei s TRP 387 N 1.18 3.72 0.04 -0.53 0.52 -0.87 -4.69 118.94 118.30 2iei s TRP 387 Ca 0.12 1.50 -0.35 0.00 0.02 0.00 0.00 56.10 57.39 2iei s TRP 387 Cb -0.19 -2.87 -0.14 0.00 -1.15 0.00 0.00 33.47 29.12 2iei s TRP 387 CO -0.16 0.22 1.64 -2.30 0.02 0.00 0.00 176.95 176.37 2iei n PRO 388 N 3.00 1.88 -0.27 4.98 -0.02 -1.26 -0.17 135.00 143.13 2iei n PRO 388 Ca -0.01 0.68 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 2iei n PRO 388 Cb 0.50 -2.44 0.22 0.00 -0.02 0.00 0.00 33.50 31.76 2iei n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2iei h VAL 389 N 4.23 0.56 -0.87 -1.45 2.07 -0.59 -0.27 116.25 119.93 2iei h VAL 389 Ca -0.47 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.03 2iei h VAL 389 Cb 1.28 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 2iei h VAL 389 CO 0.89 0.07 0.51 -0.74 0.02 0.00 0.00 177.57 178.32 2iei h HIS 390 N 0.39 0.91 -0.52 1.57 6.17 -1.90 -0.46 115.15 121.32 2iei h HIS 390 Ca 0.46 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.45 2iei h HIS 390 Cb 0.78 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.42 2iei h HIS 390 CO -0.18 0.35 -0.16 1.25 0.71 0.00 0.00 177.93 179.89 2iei h LEU 391 N 0.81 1.04 -0.94 0.26 5.85 -1.42 -2.61 115.31 118.30 2iei h LEU 391 Ca 0.43 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 2iei h LEU 391 Cb 0.44 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2iei h LEU 391 CO -0.27 1.18 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.67 2iei h LEU 392 N 0.90 0.45 0.12 2.25 3.38 -1.08 -2.40 115.31 118.93 2iei h LEU 392 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2iei h LEU 392 Cb 0.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2iei h LEU 392 CO 0.06 0.72 -0.06 -0.08 0.09 0.00 0.00 178.44 179.17 2iei h GLU 393 N 0.40 -0.16 -0.04 1.13 4.81 -0.84 0.66 114.58 120.54 2iei h GLU 393 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2iei h GLU 393 Cb 0.68 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 2iei h GLU 393 CO 0.05 -0.08 -0.01 1.15 -0.73 0.00 0.00 179.01 179.39 2iei h THR 394 N -0.20 1.31 0.21 0.32 2.02 -1.52 -3.13 112.91 111.92 2iei h THR 394 Ca -0.02 -0.96 -0.30 0.00 0.77 0.00 0.00 66.41 65.91 2iei h THR 394 Cb 0.16 1.88 0.03 0.00 -1.74 0.00 0.00 68.15 68.48 2iei h THR 394 CO 0.03 0.26 -1.29 0.25 0.37 0.00 0.00 175.52 175.14 2iei h LEU 395 N -0.29 0.76 -5.98 2.58 5.85 -1.47 -3.37 115.31 113.39 2iei h LEU 395 Ca 0.01 -0.92 -0.55 0.00 0.84 0.00 0.00 57.88 57.27 2iei h LEU 395 Cb 0.42 -0.25 -0.40 0.00 0.37 0.00 0.00 40.66 40.81 2iei h LEU 395 CO 0.00 1.62 -1.03 0.18 -0.34 0.00 0.00 178.44 178.87 2iei n LEU 396 N -3.83 1.09 -0.25 2.25 4.77 0.22 -0.20 117.00 121.04 2iei n LEU 396 Ca -0.16 -4.93 -0.01 0.00 -0.03 0.00 0.00 56.01 50.88 2iei n LEU 396 Cb 1.02 0.41 0.11 0.00 -2.33 0.00 0.00 43.42 42.63 2iei n LEU 396 CO 0.58 2.14 1.11 1.55 -1.33 0.00 0.00 177.39 181.44 2iei h PRO 397 N 3.71 0.72 -0.58 3.23 0.13 -1.48 -2.01 132.00 135.72 2iei h PRO 397 Ca 0.10 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2iei h PRO 397 Cb 0.85 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2iei h PRO 397 CO 0.54 0.47 0.20 -0.09 -0.23 0.00 0.00 178.00 178.90 2iei h ARG 398 N 0.74 0.89 -0.89 0.86 9.65 -1.88 -2.43 114.38 121.31 2iei h ARG 398 Ca 0.32 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 2iei h ARG 398 Cb 0.21 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 2iei h ARG 398 CO -0.19 0.79 0.49 0.45 2.80 0.00 0.00 179.97 184.30 2iei h HIS 399 N 0.81 1.23 -0.25 2.20 3.86 -1.77 -1.81 115.15 119.43 2iei h HIS 399 Ca 0.19 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 2iei h HIS 399 Cb 0.25 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 2iei h HIS 399 CO 0.02 0.85 0.09 1.25 0.86 0.00 0.00 177.93 181.00 2iei h LEU 400 N 1.25 0.10 -0.23 2.43 6.46 -1.17 0.70 115.31 124.85 2iei h LEU 400 Ca 0.31 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 58.15 2iei h LEU 400 Cb 0.03 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 2iei h LEU 400 CO -0.05 0.09 -0.15 1.56 -0.62 0.00 0.00 178.44 179.27 2iei h GLN 401 N 0.21 -0.13 -0.56 1.25 4.20 -1.13 -1.14 115.11 117.81 2iei h GLN 401 Ca 0.11 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2iei h GLN 401 Cb 0.07 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2iei h GLN 401 CO -0.11 -0.09 0.18 0.82 -0.67 0.00 0.00 178.83 178.96 2iei h ILE 402 N -0.14 1.22 -0.46 2.54 2.04 -1.12 -1.87 117.51 119.73 2iei h ILE 402 Ca 0.13 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2iei h ILE 402 Cb 0.33 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2iei h ILE 402 CO -0.32 0.28 0.26 0.40 0.00 0.00 0.00 178.15 178.78 2iei h ILE 403 N 0.81 1.15 -0.68 -0.67 2.04 -0.19 0.61 117.51 120.59 2iei h ILE 403 Ca 0.19 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2iei h ILE 403 Cb 0.23 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2iei h ILE 403 CO -0.01 0.16 0.37 1.88 0.00 0.00 0.00 178.15 180.55 2iei h TYR 404 N 0.60 0.91 -0.16 1.37 0.05 -0.94 -0.29 116.97 118.51 2iei h TYR 404 Ca 0.16 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.85 2iei h TYR 404 Cb 0.02 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 2iei h TYR 404 CO -0.03 0.63 -0.20 1.49 -1.05 0.00 0.00 178.16 179.01 2iei h GLU 405 N 0.94 0.42 -0.80 4.88 4.57 -0.89 -2.29 114.58 121.41 2iei h GLU 405 Ca 0.24 -0.23 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 2iei h GLU 405 Cb 0.02 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 2iei h GLU 405 CO -0.04 0.81 0.47 0.82 -1.18 0.00 0.00 179.01 179.89 2iei h ILE 406 N 0.05 0.98 -0.61 2.32 2.04 -0.70 -2.65 117.51 118.94 2iei h ILE 406 Ca 0.02 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2iei h ILE 406 Cb 0.75 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2iei h ILE 406 CO 0.05 0.15 0.09 -1.13 0.00 0.00 0.00 178.15 177.31 2iei h ASN 407 N 0.84 0.98 0.13 1.72 -1.24 -0.98 -1.81 115.58 115.22 2iei h ASN 407 Ca 0.36 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2iei h ASN 407 Cb 0.24 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2iei h ASN 407 CO -0.20 0.99 -0.06 -0.61 -1.29 0.00 0.00 177.43 176.26 2iei h GLN 408 N 0.92 -0.17 -0.82 6.67 5.75 -1.18 -1.00 115.11 125.28 2iei h GLN 408 Ca 0.18 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 2iei h GLN 408 Cb 0.44 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 2iei h GLN 408 CO 0.01 0.03 0.40 0.00 -2.65 0.00 0.00 178.83 176.62 2iei h ARG 409 N -0.35 1.18 -0.41 1.69 3.08 -1.51 -0.05 114.38 118.01 2iei h ARG 409 Ca -0.02 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 2iei h ARG 409 Cb 0.28 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2iei h ARG 409 CO 0.03 0.91 -0.07 0.35 -1.07 0.00 0.00 179.97 180.12 2iei h PHE 410 N 1.17 0.87 -0.03 3.04 3.57 -1.29 -2.45 116.94 121.83 2iei h PHE 410 Ca 0.28 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 2iei h PHE 410 Cb 0.12 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2iei h PHE 410 CO 0.01 0.89 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.35 2iei h LEU 411 N 0.60 0.09 -1.98 0.59 3.38 -1.01 -1.65 115.31 115.33 2iei h LEU 411 Ca 0.11 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2iei h LEU 411 Cb 0.59 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2iei h LEU 411 CO 0.04 0.63 0.06 0.78 0.09 0.00 0.00 178.44 180.04 2iei h ASN 412 N 0.06 0.02 -0.01 -0.43 2.35 -0.86 0.22 115.58 116.93 2iei h ASN 412 Ca -0.00 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2iei h ASN 412 Cb 1.01 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.39 2iei h ASN 412 CO 0.08 0.01 -0.66 0.03 -1.65 0.00 0.00 177.43 175.24 2iei h ARG 413 N 0.02 0.46 -0.82 0.81 3.08 -0.86 -2.47 114.38 114.60 2iei h ARG 413 Ca 0.04 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 2iei h ARG 413 Cb 0.14 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2iei h ARG 413 CO -0.00 1.14 0.38 0.28 -1.07 0.00 0.00 179.97 180.69 2iei h VAL 414 N -0.02 1.26 -0.19 2.04 2.07 -0.80 -1.67 116.25 118.95 2iei h VAL 414 Ca -0.08 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 2iei h VAL 414 Cb 1.36 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2iei h VAL 414 CO 0.13 0.32 -0.25 0.00 0.02 0.00 0.00 177.57 177.79 2iei h ALA 415 N 1.20 1.23 -0.02 1.67 0.00 -0.63 -0.76 119.26 121.95 2iei h ALA 415 Ca 0.28 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2iei h ALA 415 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2iei h ALA 415 CO -0.03 0.51 -0.84 0.00 0.00 0.00 0.00 179.25 178.89 2iei h ALA 416 N 1.43 0.53 0.00 0.00 0.00 -1.03 -2.58 119.26 117.61 2iei h ALA 416 Ca 0.05 -0.68 -0.16 0.00 0.00 0.00 0.00 54.91 54.11 2iei h ALA 416 Cb 0.61 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2iei h ALA 416 CO 0.04 0.85 -1.00 0.00 0.00 0.00 0.00 179.25 179.15 2iei h ALA 417 N 0.94 0.62 -2.04 0.00 0.00 -1.17 -3.40 119.26 114.21 2iei h ALA 417 Ca -0.05 -0.75 -0.56 0.00 0.00 0.00 0.00 54.91 53.55 2iei h ALA 417 Cb 1.45 0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.91 2iei h ALA 417 CO 0.13 0.92 -1.00 1.19 0.00 0.00 0.00 179.25 180.49 2iei n PHE 418 N -3.12 0.53 -2.10 0.00 3.72 -0.30 -5.10 117.46 111.08 2iei n PHE 418 Ca -0.04 -3.70 -0.42 0.00 -0.05 0.00 0.00 57.45 53.24 2iei n PHE 418 Cb 0.83 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 2iei n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2iei s PRO 419 N -1.54 4.27 0.00 -1.08 0.02 -0.97 -2.21 135.00 133.50 2iei s PRO 419 Ca 0.36 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2iei s PRO 419 Cb 0.18 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2iei s PRO 419 CO -0.09 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 2iei n GLY 420 N 3.65 0.99 3.14 0.52 0.00 -1.26 -4.98 105.19 107.26 2iei n GLY 420 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2iei n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2iei n ASP 421 N 0.00 4.51 -0.24 1.61 -0.08 -0.94 -4.78 116.55 116.63 2iei n ASP 421 Ca 0.00 -2.91 -0.01 0.00 -1.51 0.00 0.00 54.79 50.36 2iei n ASP 421 Cb 0.00 -1.67 0.11 0.00 2.34 0.00 0.00 41.12 41.89 2iei n ASP 421 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2iei h VAL 422 N 4.67 0.96 0.00 5.18 2.07 -1.93 -2.59 116.25 124.61 2iei h VAL 422 Ca 0.49 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.67 2iei h VAL 422 Cb 0.75 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2iei h VAL 422 CO 1.64 0.13 -0.47 -0.78 0.02 0.00 0.00 177.57 178.11 2iei h ASP 423 N 0.71 0.00 -0.60 0.57 3.58 -2.00 -2.47 116.42 116.20 2iei h ASP 423 Ca 0.31 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 2iei h ASP 423 Cb 0.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2iei h ASP 423 CO -0.19 0.47 0.33 -0.09 -2.88 0.00 0.00 179.24 176.88 2iei h ARG 424 N 0.00 0.84 -0.31 0.28 2.43 -1.87 -2.29 114.38 113.45 2iei h ARG 424 Ca -0.00 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2iei h ARG 424 Cb 1.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2iei h ARG 424 CO 0.06 0.64 0.17 -0.07 -1.51 0.00 0.00 179.97 179.26 2iei h LEU 425 N 0.81 0.27 -1.29 3.80 3.38 -1.22 0.41 115.31 121.47 2iei h LEU 425 Ca 0.21 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2iei h LEU 425 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2iei h LEU 425 CO -0.03 0.20 -0.32 0.08 0.09 0.00 0.00 178.44 178.45 2iei h ARG 426 N 0.35 0.00 -0.11 1.13 0.11 -1.48 0.36 114.38 114.74 2iei h ARG 426 Ca 0.13 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.98 2iei h ARG 426 Cb 0.02 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.11 2iei h ARG 426 CO -0.07 0.32 -0.84 0.00 0.10 0.00 0.00 179.97 179.48 2iei h ARG 427 N 0.00 0.72 0.00 0.08 3.08 -0.92 -3.34 114.38 113.99 2iei h ARG 427 Ca -0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.42 2iei h ARG 427 Cb 0.67 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2iei h ARG 427 CO 0.04 1.23 -1.03 -1.33 -1.07 0.00 0.00 179.97 177.81 2iei n MET 428 N -3.90 0.43 -1.56 0.04 2.81 0.09 -4.95 117.12 110.09 2iei n MET 428 Ca -0.08 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.43 2iei n MET 428 Cb 0.77 -1.69 0.01 0.00 -0.71 0.00 0.00 33.22 31.61 2iei n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2iei n SER 429 N -2.27 0.53 0.20 7.83 2.88 0.10 -4.91 113.62 117.98 2iei n SER 429 Ca 0.01 1.00 0.09 0.00 -1.33 0.00 0.00 58.87 58.65 2iei n SER 429 Cb 0.49 -1.27 0.25 0.00 -0.75 0.00 0.00 64.21 62.93 2iei n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2iei h LEU 430 N 1.30 0.00 -9.06 2.46 3.38 -1.90 -3.44 115.31 108.06 2iei h LEU 430 Ca -0.42 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.94 2iei h LEU 430 Cb 1.36 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.99 2iei h LEU 430 CO 0.55 0.20 -0.06 -0.69 0.09 0.00 0.00 178.44 178.53 2iei s VAL 431 N -3.28 5.11 -0.08 1.22 1.01 -1.26 0.10 120.40 123.21 2iei s VAL 431 Ca 0.04 0.88 -0.10 0.00 0.00 0.00 0.00 61.98 62.80 2iei s VAL 431 Cb 0.07 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2iei s VAL 431 CO 0.67 0.15 0.23 -1.61 0.00 0.00 0.00 175.10 174.54 2iei s GLU 432 N 1.87 3.61 0.38 2.72 2.02 0.14 -4.96 118.70 124.48 2iei s GLU 432 Ca 0.22 0.06 -0.13 0.00 0.02 0.00 0.00 54.97 55.14 2iei s GLU 432 Cb -0.15 -3.20 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 2iei s GLU 432 CO 0.09 0.74 0.78 -2.00 0.02 0.00 0.00 175.26 174.90 2iei s GLU 433 N -1.03 3.89 0.00 1.61 2.56 -1.26 -2.02 118.70 122.45 2iei s GLU 433 Ca 0.18 0.61 0.00 0.00 0.00 0.00 0.00 54.97 55.76 2iei s GLU 433 Cb -0.14 -2.38 0.00 0.00 2.00 0.00 0.00 34.13 33.62 2iei s GLU 433 CO 0.07 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.20 2iei n GLY 434 N -0.95 0.93 0.09 -1.50 0.00 -1.26 -4.87 105.19 97.64 2iei n GLY 434 Ca 0.03 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.76 2iei n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iei n ALA 435 N -1.11 0.95 -3.77 4.61 0.00 -1.26 -3.45 120.51 116.48 2iei n ALA 435 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 2iei n ALA 435 Cb 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.20 2iei n ALA 435 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2iei s VAL 436 N -3.26 0.77 0.20 0.00 1.01 -1.26 -5.13 120.40 112.74 2iei s VAL 436 Ca -0.01 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2iei s VAL 436 Cb 0.03 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 2iei s VAL 436 CO 0.10 -0.30 1.30 -0.54 0.00 0.00 0.00 175.10 175.66 2iei s LYS 437 N 1.72 4.40 0.11 2.72 1.02 -1.22 -4.81 119.74 123.68 2iei s LYS 437 Ca 0.01 2.04 0.04 0.00 0.02 0.00 0.00 55.97 58.08 2iei s LYS 437 Cb -0.17 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2iei s LYS 437 CO -0.12 -0.24 -0.11 1.03 -0.92 0.00 0.00 175.35 174.99 2iei s ARG 438 N -0.16 0.92 -0.27 1.68 0.52 -0.86 0.17 118.95 120.96 2iei s ARG 438 Ca 0.56 -1.22 -0.09 0.00 -0.52 0.00 0.00 55.73 54.46 2iei s ARG 438 Cb -0.36 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.42 2iei s ARG 438 CO 0.38 0.11 0.13 0.42 0.02 0.00 0.00 175.30 176.36 2iei s ILE 439 N -2.47 4.83 -0.56 1.52 -1.09 0.75 0.25 121.20 124.43 2iei s ILE 439 Ca 0.08 0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.22 2iei s ILE 439 Cb -0.03 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 2iei s ILE 439 CO 0.01 0.29 1.27 0.21 -1.23 0.00 0.00 174.94 175.49 2iei s ASN 440 N 1.69 6.35 0.33 3.58 3.84 0.12 -2.04 114.94 128.80 2iei s ASN 440 Ca 0.07 0.21 0.11 0.00 0.21 0.00 0.00 52.86 53.45 2iei s ASN 440 Cb -0.16 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.56 2iei s ASN 440 CO 0.07 -1.54 1.74 0.24 -2.79 0.00 0.00 177.10 174.82 2iei h MET 441 N 10.05 0.04 -0.53 0.43 2.86 -1.66 -2.34 114.93 123.79 2iei h MET 441 Ca -0.26 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2iei h MET 441 Cb 1.07 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2iei h MET 441 CO 1.18 0.48 0.34 0.00 1.06 0.00 0.00 176.91 179.97 2iei h ALA 442 N 1.51 0.67 -0.65 6.32 0.00 -1.91 -0.67 119.26 124.53 2iei h ALA 442 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2iei h ALA 442 Cb 0.81 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2iei h ALA 442 CO 0.06 0.13 0.26 0.45 0.00 0.00 0.00 179.25 180.15 2iei h HIS 443 N 0.71 1.00 -0.50 0.00 3.86 -1.80 -1.22 115.15 117.20 2iei h HIS 443 Ca 0.19 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 59.42 2iei h HIS 443 Cb -0.06 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.04 2iei h HIS 443 CO -0.03 0.78 0.06 1.25 0.86 0.00 0.00 177.93 180.85 2iei h LEU 444 N 0.92 -0.08 -0.10 2.43 6.46 -1.21 -1.55 115.31 122.19 2iei h LEU 444 Ca 0.22 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2iei h LEU 444 Cb 0.20 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2iei h LEU 444 CO -0.02 -0.01 0.06 0.00 -0.62 0.00 0.00 178.44 177.85 2iei h ILE 446 N 0.11 1.14 -0.85 0.00 2.04 -1.06 -0.61 117.51 118.27 2iei h ILE 446 Ca 0.04 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2iei h ILE 446 Cb 0.03 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2iei h ILE 446 CO -0.01 0.14 0.56 0.00 0.00 0.00 0.00 178.15 178.84 2iei h ALA 447 N 1.07 1.46 -0.70 1.87 0.00 -1.15 -3.05 119.26 118.77 2iei h ALA 447 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2iei h ALA 447 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2iei h ALA 447 CO -0.02 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2iei n GLY 448 N -1.41 2.50 3.27 0.00 0.00 -0.50 -4.93 105.19 104.12 2iei n GLY 448 Ca 0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2iei n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iei s SER 449 N -1.02 2.84 0.32 1.61 0.01 -0.28 -4.03 113.70 113.16 2iei s SER 449 Ca 0.47 -0.45 0.24 0.00 1.31 0.00 0.00 55.95 57.52 2iei s SER 449 Cb 0.24 -0.45 0.53 0.00 0.21 0.00 0.00 66.02 66.56 2iei s SER 449 CO 0.32 0.28 1.65 1.12 0.41 0.00 0.00 173.24 177.02 2iei h HIS 450 N 5.69 0.00 -3.58 2.43 2.07 -0.74 -3.45 115.15 117.58 2iei h HIS 450 Ca -0.39 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 56.76 2iei h HIS 450 Cb 1.14 0.00 -0.33 0.00 2.57 0.00 0.00 27.41 30.79 2iei h HIS 450 CO 0.40 0.00 -0.76 0.00 -3.07 0.00 0.00 177.93 174.50 2iei s ALA 451 N -3.17 0.49 -0.12 6.11 0.00 -1.26 -4.54 121.76 119.28 2iei s ALA 451 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.03 2iei s ALA 451 Cb 0.09 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2iei s ALA 451 CO 0.64 0.00 -0.07 0.08 0.00 0.00 0.00 175.76 176.42 2iei s VAL 452 N 0.69 1.01 0.06 0.00 1.01 0.37 -0.20 120.40 123.33 2iei s VAL 452 Ca -0.08 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2iei s VAL 452 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2iei s VAL 452 CO -0.00 0.33 -0.20 0.54 0.00 0.00 0.00 175.10 175.77 2iei s ASN 453 N 1.71 2.38 0.73 3.32 4.22 -0.15 -0.45 114.94 126.71 2iei s ASN 453 Ca 0.04 -0.55 -0.01 0.00 -2.14 0.00 0.00 52.86 50.21 2iei s ASN 453 Cb -0.13 -0.18 0.14 0.00 1.28 0.00 0.00 41.25 42.36 2iei s ASN 453 CO -0.08 0.12 1.01 -0.83 -2.04 0.00 0.00 177.10 175.28 2iei s GLY 454 N -1.35 1.75 0.00 0.45 0.00 -0.99 -0.87 107.32 106.31 2iei s GLY 454 Ca 0.06 -1.79 0.11 0.00 0.00 0.00 0.00 44.72 43.10 2iei s GLY 454 CO 0.02 -1.20 0.57 3.33 0.00 0.00 0.00 173.10 175.82 2iei n VAL 455 N -2.86 0.00 -3.74 1.40 0.24 -1.26 -2.44 118.33 109.67 2iei n VAL 455 Ca 0.16 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 2iei n VAL 455 Cb 0.61 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.98 2iei n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iei s ALA 456 N -1.80 -0.63 0.15 2.33 0.00 -1.25 0.33 121.76 120.89 2iei s ALA 456 Ca 0.07 -0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2iei s ALA 456 Cb 0.09 0.52 0.06 0.00 0.00 0.00 0.00 23.12 23.79 2iei s ALA 456 CO 0.38 -0.54 1.69 -0.09 0.00 0.00 0.00 175.76 177.20 2iei h ARG 457 N 2.71 0.02 -0.60 0.00 2.43 -1.89 0.81 114.38 117.86 2iei h ARG 457 Ca -0.33 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 2iei h ARG 457 Cb 1.22 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2iei h ARG 457 CO 0.50 0.01 0.30 0.97 -1.51 0.00 0.00 179.97 180.24 2iei h ILE 458 N 0.02 1.21 -0.50 1.20 2.10 -1.90 -1.67 117.51 117.96 2iei h ILE 458 Ca 0.16 -0.56 -0.03 0.00 1.08 0.00 0.00 64.86 65.50 2iei h ILE 458 Cb 0.24 0.48 -0.02 0.00 -1.09 0.00 0.00 36.82 36.42 2iei h ILE 458 CO -0.33 0.23 0.18 -0.74 -1.08 0.00 0.00 178.15 176.42 2iei h HIS 459 N 0.82 0.79 -0.42 2.19 2.76 -1.59 -0.62 115.15 119.07 2iei h HIS 459 Ca 0.21 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2iei h HIS 459 Cb 0.09 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2iei h HIS 459 CO -0.00 0.67 0.08 0.77 -1.30 0.00 0.00 177.93 178.14 2iei h SER 460 N 0.68 0.58 0.18 3.26 0.02 -0.69 -1.94 113.55 115.64 2iei h SER 460 Ca 0.17 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 2iei h SER 460 Cb 0.23 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2iei h SER 460 CO -0.01 0.60 -0.62 -0.33 -1.14 0.00 0.00 176.83 175.33 2iei h GLU 461 N 0.61 0.43 -0.87 3.45 4.39 -1.06 -3.09 114.58 118.45 2iei h GLU 461 Ca 0.14 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 2iei h GLU 461 Cb 0.27 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2iei h GLU 461 CO 0.00 0.92 0.52 0.82 -1.16 0.00 0.00 179.01 180.11 2iei h ILE 462 N 0.32 1.24 -0.56 3.13 2.04 -0.70 -2.19 117.51 120.79 2iei h ILE 462 Ca -0.01 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 2iei h ILE 462 Cb 1.17 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2iei h ILE 462 CO 0.11 0.26 0.20 -0.07 0.00 0.00 0.00 178.15 178.65 2iei h LEU 463 N 1.20 0.79 -0.79 1.44 3.38 -1.29 0.16 115.31 120.21 2iei h LEU 463 Ca 0.31 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2iei h LEU 463 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2iei h LEU 463 CO -0.06 0.77 -0.37 0.11 0.09 0.00 0.00 178.44 178.98 2iei h LYS 464 N 0.78 0.48 0.00 1.13 1.57 -1.45 -0.73 116.57 118.35 2iei h LYS 464 Ca 0.19 -0.23 -0.29 0.00 -1.87 0.00 0.00 60.65 58.45 2iei h LYS 464 Cb 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2iei h LYS 464 CO -0.01 0.78 -1.86 1.17 -0.57 0.00 0.00 179.45 178.97 2iei n LYS 465 N -4.05 0.65 0.00 3.15 4.81 -0.84 -3.92 118.16 117.97 2iei n LYS 465 Ca -0.01 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2iei n LYS 465 Cb 0.48 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.81 2iei n LYS 465 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2iei n THR 466 N -2.94 0.00 -0.04 3.15 -2.24 0.54 -4.71 114.28 108.05 2iei n THR 466 Ca -0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2iei n THR 466 Cb 1.05 -0.11 0.52 0.00 -2.10 0.00 0.00 70.33 69.69 2iei n THR 466 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2iei h ILE 467 N 0.00 0.91 0.00 2.28 2.10 -1.67 -1.84 117.51 119.29 2iei h ILE 467 Ca 0.00 -0.12 -0.00 0.00 1.08 0.00 0.00 64.86 65.82 2iei h ILE 467 Cb 0.00 0.53 -0.00 0.00 -1.09 0.00 0.00 36.82 36.25 2iei h ILE 467 CO 0.00 0.06 -0.12 0.49 -1.08 0.00 0.00 178.15 177.51 2iei n PHE 468 N -4.47 0.00 -0.24 2.19 3.72 -0.29 -4.84 117.46 113.53 2iei n PHE 468 Ca 0.08 -1.07 0.05 0.00 -0.05 0.00 0.00 57.45 56.46 2iei n PHE 468 Cb 0.34 -0.17 0.17 0.00 -0.94 0.00 0.00 39.48 38.88 2iei n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2iei h LYS 469 N 0.20 0.27 -0.61 -1.08 3.64 -1.27 0.24 116.57 117.96 2iei h LYS 469 Ca -0.00 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2iei h LYS 469 Cb 1.01 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2iei h LYS 469 CO 0.00 0.18 0.40 -0.44 -2.27 0.00 0.00 179.45 177.32 2iei h ASP 470 N 0.28 0.68 -0.60 4.20 3.32 -1.87 -2.04 116.42 120.39 2iei h ASP 470 Ca 0.40 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.36 2iei h ASP 470 Cb 0.67 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2iei h ASP 470 CO -0.49 0.49 0.07 -0.26 -1.72 0.00 0.00 179.24 177.33 2iei h PHE 471 N 0.81 1.10 -0.94 4.55 0.04 -1.51 -2.27 116.94 118.72 2iei h PHE 471 Ca 0.23 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.86 2iei h PHE 471 Cb -0.08 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 37.72 2iei h PHE 471 CO -0.04 0.94 0.62 -0.92 -0.60 0.00 0.00 178.31 178.32 2iei h TYR 472 N 0.96 1.17 -0.03 -0.55 3.20 -0.72 -1.24 116.97 119.76 2iei h TYR 472 Ca 0.19 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 2iei h TYR 472 Cb 0.46 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2iei h TYR 472 CO 0.03 0.72 -0.66 0.93 -1.64 0.00 0.00 178.16 177.55 2iei h GLU 473 N 1.25 0.12 -0.07 1.82 5.08 -1.00 -1.53 114.58 120.25 2iei h GLU 473 Ca 0.35 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2iei h GLU 473 Cb -0.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2iei h GLU 473 CO -0.08 0.73 -0.21 1.25 -1.00 0.00 0.00 179.01 179.71 2iei h LEU 474 N 0.09 0.29 -6.25 1.33 6.46 -1.16 -3.41 115.31 112.66 2iei h LEU 474 Ca -0.01 -0.61 -0.56 0.00 -0.12 0.00 0.00 57.88 56.58 2iei h LEU 474 Cb 1.17 -0.09 -0.37 0.00 -0.73 0.00 0.00 40.66 40.65 2iei h LEU 474 CO 0.09 0.86 -0.96 -0.62 -0.62 0.00 0.00 178.44 177.19 2iei n GLU 475 N -4.54 0.24 0.04 1.25 1.02 -0.49 -4.99 120.64 113.17 2iei n GLU 475 Ca -0.08 -3.10 0.01 0.00 -0.02 0.00 0.00 57.16 53.97 2iei n GLU 475 Cb 0.43 -1.62 0.35 0.00 -0.02 0.00 0.00 31.44 30.58 2iei n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2iei h PRO 476 N 5.46 0.43 -0.10 3.49 0.13 -1.49 -2.52 132.00 137.41 2iei h PRO 476 Ca 0.24 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 65.32 2iei h PRO 476 Cb 0.92 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2iei h PRO 476 CO 0.36 0.45 0.15 1.12 -0.23 0.00 0.00 178.00 179.85 2iei h HIS 477 N 0.42 0.00 0.00 1.56 2.07 -1.94 -2.50 115.15 114.76 2iei h HIS 477 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2iei h HIS 477 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 2iei h HIS 477 CO 0.01 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.74 2iei h LYS 478 N 0.00 0.00 -5.18 5.12 1.57 -1.68 -3.46 116.57 112.93 2iei h LYS 478 Ca 0.05 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.20 2iei h LYS 478 Cb 0.34 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.51 2iei h LYS 478 CO -0.00 0.00 -0.31 -0.06 -0.57 0.00 0.00 179.45 178.51 2iei s PHE 479 N -3.57 3.29 0.28 -1.35 0.40 -0.95 -0.48 117.98 115.60 2iei s PHE 479 Ca 0.02 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.79 2iei s PHE 479 Cb 0.08 -2.48 -0.06 0.00 0.51 0.00 0.00 43.02 41.07 2iei s PHE 479 CO 0.56 -0.11 0.03 -0.65 0.70 0.00 0.00 175.22 175.75 2iei s GLN 480 N 1.66 1.51 -0.07 0.44 -0.21 0.40 -4.97 119.66 118.43 2iei s GLN 480 Ca 0.14 -1.81 0.05 0.00 0.02 0.00 0.00 55.36 53.76 2iei s GLN 480 Cb -0.15 -0.74 -0.02 0.00 1.00 0.00 0.00 33.01 33.10 2iei s GLN 480 CO 0.09 -0.15 -0.21 1.21 -2.12 0.00 0.00 175.29 174.11 2iei s ASN 481 N -3.40 3.44 -0.43 5.90 3.04 -1.26 -2.35 114.94 119.87 2iei s ASN 481 Ca 0.33 -0.41 0.03 0.00 0.04 0.00 0.00 52.86 52.86 2iei s ASN 481 Cb 0.07 -0.94 0.16 0.00 -1.54 0.00 0.00 41.25 39.00 2iei s ASN 481 CO 0.13 0.26 0.32 -0.54 -3.04 0.00 0.00 177.10 174.23 2iei s LYS 482 N -0.23 1.01 0.10 0.43 -0.14 -1.02 -4.95 119.74 114.92 2iei s LYS 482 Ca -0.01 -2.07 -0.36 0.00 -1.36 0.00 0.00 55.97 52.17 2iei s LYS 482 Cb -0.13 -1.64 -0.15 0.00 -1.68 0.00 0.00 37.83 34.23 2iei s LYS 482 CO 0.03 -1.33 1.46 2.41 -0.76 0.00 0.00 175.35 177.16 2iei n THR 483 N 3.02 0.03 -0.69 2.17 -1.04 -1.24 -4.35 114.28 112.18 2iei n THR 483 Ca 0.24 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.93 2iei n THR 483 Cb 0.44 -1.15 0.16 0.00 -1.82 0.00 0.00 70.33 67.96 2iei n THR 483 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2iei n ASN 484 N 3.08 -2.13 -3.89 8.00 5.03 0.15 -4.68 115.26 120.82 2iei n ASN 484 Ca 0.18 0.04 -0.09 0.00 0.87 0.00 0.00 54.58 55.58 2iei n ASN 484 Cb 0.23 -1.08 -0.05 0.00 -1.02 0.00 0.00 39.78 37.86 2iei n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2iei s GLY 485 N -1.98 0.55 0.06 7.41 0.00 -1.26 -4.83 107.32 107.26 2iei s GLY 485 Ca 0.58 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 44.46 2iei s GLY 485 CO 0.66 -0.60 -0.12 -0.26 0.00 0.00 0.00 173.10 172.78 2iei s ILE 486 N -3.87 0.92 -0.19 0.90 -4.36 0.02 -4.54 121.20 110.09 2iei s ILE 486 Ca 0.22 -1.18 -0.28 0.00 -0.26 0.00 0.00 60.65 59.15 2iei s ILE 486 Cb -0.01 -0.91 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 2iei s ILE 486 CO 0.10 -0.24 0.97 0.28 0.24 0.00 0.00 174.94 176.28 2iei s THR 487 N -1.24 4.76 -2.00 8.37 -1.32 -1.26 -1.38 115.64 121.58 2iei s THR 487 Ca -0.04 1.90 0.16 0.00 -1.21 0.00 0.00 61.69 62.51 2iei s THR 487 Cb -0.10 -4.26 0.46 0.00 -1.51 0.00 0.00 72.50 67.10 2iei s THR 487 CO 0.02 -0.08 1.45 -0.81 -2.21 0.00 0.00 174.62 172.98 2iei n PRO 488 N 5.75 0.73 -0.01 7.08 -0.04 -1.26 -0.94 135.00 146.31 2iei n PRO 488 Ca 0.09 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2iei n PRO 488 Cb 0.47 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2iei n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iei h ARG 489 N 0.00 0.00 -0.79 0.54 -0.00 -1.92 -2.59 114.38 109.62 2iei h ARG 489 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.44 2iei h ARG 489 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 2iei h ARG 489 CO 0.00 0.00 0.35 -0.09 0.00 0.00 0.00 179.97 180.23 2iei h ARG 490 N -0.13 1.16 -0.64 0.04 2.43 -1.96 0.40 114.38 115.69 2iei h ARG 490 Ca 0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2iei h ARG 490 Cb 0.01 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 2iei h ARG 490 CO 0.00 0.92 0.00 0.91 -1.51 0.00 0.00 179.97 180.29 2iei n TRP 491 N -4.32 1.35 0.14 2.20 7.02 -0.11 -2.88 117.44 120.84 2iei n TRP 491 Ca 0.07 -0.52 0.00 0.00 -1.02 0.00 0.00 57.50 56.03 2iei n TRP 491 Cb 0.16 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.79 2iei n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2iei n LEU 492 N 0.84 -1.34 -0.15 -0.99 7.94 -1.17 -4.77 117.00 117.35 2iei n LEU 492 Ca 0.22 0.52 -0.12 0.00 -1.11 0.00 0.00 56.01 55.52 2iei n LEU 492 Cb 0.82 1.40 -0.01 0.00 0.53 0.00 0.00 43.42 46.17 2iei n LEU 492 CO 0.22 -0.41 0.66 0.58 -1.11 0.00 0.00 177.39 177.33 2iei h VAL 493 N 0.00 1.27 0.33 1.96 2.07 -0.88 -0.77 116.25 120.23 2iei h VAL 493 Ca 0.00 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 2iei h VAL 493 Cb 0.00 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2iei h VAL 493 CO 0.00 0.47 -0.16 0.25 0.02 0.00 0.00 177.57 178.15 2iei h LEU 494 N 0.78 -0.37 0.00 2.57 6.46 -0.41 -3.30 115.31 121.05 2iei h LEU 494 Ca 0.10 -0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 2iei h LEU 494 Cb 0.78 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 2iei h LEU 494 CO 0.06 0.09 -0.63 0.00 -0.62 0.00 0.00 178.44 177.34 2iei n ASN 496 N -3.09 1.86 0.29 0.00 2.85 -0.29 -4.89 115.26 111.98 2iei n ASN 496 Ca -0.00 -3.14 0.14 0.00 -0.11 0.00 0.00 54.58 51.47 2iei n ASN 496 Cb 0.70 -0.62 0.86 0.00 1.24 0.00 0.00 39.78 41.97 2iei n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2iei h PRO 497 N 3.40 0.00 -0.28 1.20 0.13 -1.65 -1.56 132.00 133.24 2iei h PRO 497 Ca 0.11 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.07 2iei h PRO 497 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 2iei h PRO 497 CO 0.60 0.00 -0.50 0.78 -0.23 0.00 0.00 178.00 178.66 2iei h GLY 498 N 0.00 0.85 0.62 1.56 0.00 -1.91 -1.18 103.07 103.01 2iei h GLY 498 Ca 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.31 2iei h GLY 498 CO -0.00 0.85 -0.25 -2.00 0.00 0.00 0.00 176.54 175.14 2iei h LEU 499 N 0.61 0.32 -0.91 3.11 5.85 -1.77 -2.83 115.31 119.69 2iei h LEU 499 Ca 0.03 -0.65 0.21 0.00 0.84 0.00 0.00 57.88 58.30 2iei h LEU 499 Cb 1.08 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.90 2iei h LEU 499 CO 0.11 0.92 0.44 0.00 -0.34 0.00 0.00 178.44 179.56 2iei h ALA 500 N 0.41 1.46 -0.05 1.25 0.00 -1.30 -1.98 119.26 119.06 2iei h ALA 500 Ca -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2iei h ALA 500 Cb 0.91 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2iei h ALA 500 CO 0.05 -0.27 -0.03 1.49 0.00 0.00 0.00 179.25 180.49 2iei h GLU 501 N 0.49 0.10 -0.03 0.00 4.57 -1.22 -0.06 114.58 118.44 2iei h GLU 501 Ca 0.55 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.64 2iei h GLU 501 Cb 1.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2iei h GLU 501 CO -0.48 0.53 -0.19 -0.84 -1.18 0.00 0.00 179.01 176.84 2iei h ILE 502 N -0.32 1.15 -0.15 2.32 3.07 -1.27 0.16 117.51 122.47 2iei h ILE 502 Ca 0.01 -0.71 -0.06 0.00 1.55 0.00 0.00 64.86 65.65 2iei h ILE 502 Cb 0.50 1.35 -0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2iei h ILE 502 CO 0.01 0.21 -0.13 0.40 -1.05 0.00 0.00 178.15 177.59 2iei h ILE 503 N 0.04 1.34 -0.80 0.16 2.04 -1.33 -3.27 117.51 115.68 2iei h ILE 503 Ca 0.01 -1.26 0.08 0.00 1.00 0.00 0.00 64.86 64.69 2iei h ILE 503 Cb 0.36 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2iei h ILE 503 CO 0.03 0.37 0.46 0.00 0.00 0.00 0.00 178.15 179.01 2iei h ALA 504 N 0.63 1.13 -0.93 1.87 0.00 0.03 -1.31 119.26 120.68 2iei h ALA 504 Ca 0.03 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.22 2iei h ALA 504 Cb 0.64 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2iei h ALA 504 CO 0.03 0.12 0.65 0.93 0.00 0.00 0.00 179.25 180.98 2iei h GLU 505 N 0.80 0.12 0.03 0.00 5.08 -0.77 -0.13 114.58 119.70 2iei h GLU 505 Ca 0.38 -0.01 -0.39 0.00 -1.00 0.00 0.00 59.36 58.34 2iei h GLU 505 Cb 0.30 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2iei h GLU 505 CO -0.23 0.08 -2.30 0.54 -1.00 0.00 0.00 179.01 176.10 2iei n ARG 506 N -4.35 0.66 0.00 2.33 5.12 -0.55 -4.69 116.66 115.18 2iei n ARG 506 Ca 0.20 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 2iei n ARG 506 Cb 0.92 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 2iei n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2iei n ILE 507 N -3.56 0.51 -4.03 0.55 -5.35 -0.84 -5.12 119.36 101.52 2iei n ILE 507 Ca -0.43 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 2iei n ILE 507 Cb 0.96 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 2iei n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2iei n GLY 508 N -0.25 -1.31 0.26 3.28 0.00 -0.07 -4.51 105.19 102.59 2iei n GLY 508 Ca 0.00 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.78 2iei n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2iei n GLU 509 N 0.00 0.08 0.26 1.61 1.02 -1.26 -3.93 120.64 118.42 2iei n GLU 509 Ca 0.00 -0.87 0.10 0.00 -0.02 0.00 0.00 57.16 56.37 2iei n GLU 509 Cb 0.00 -1.12 0.69 0.00 -0.02 0.00 0.00 31.44 30.99 2iei n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2iei h GLU 510 N 1.28 0.00 -0.12 3.49 4.81 -1.97 -2.67 114.58 119.40 2iei h GLU 510 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2iei h GLU 510 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2iei h GLU 510 CO 0.00 0.09 0.10 0.10 -0.73 0.00 0.00 179.01 178.57 2iei h TYR 511 N 0.00 0.00 -0.18 0.92 -0.00 -1.82 -3.07 116.97 112.81 2iei h TYR 511 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 2iei h TYR 511 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.90 2iei h TYR 511 CO 0.00 0.00 0.15 0.82 -0.00 0.00 0.00 178.16 179.13 2iei h ILE 512 N 0.00 0.72 0.00 -0.90 2.04 -1.84 -0.52 117.51 117.02 2iei h ILE 512 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2iei h ILE 512 Cb 0.26 0.89 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 2iei h ILE 512 CO -0.00 0.00 -0.53 -1.54 0.00 0.00 0.00 178.15 176.08 2iei n SER 513 N -4.20 1.46 -2.76 1.72 3.41 -1.17 -4.63 113.62 107.45 2iei n SER 513 Ca 0.01 -3.04 -0.09 0.00 -0.26 0.00 0.00 58.87 55.50 2iei n SER 513 Cb 0.28 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 2iei n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2iei n ASP 514 N -0.65 -2.72 0.16 4.04 2.03 -0.26 -5.05 116.55 114.10 2iei n ASP 514 Ca 0.13 -3.34 0.12 0.00 0.52 0.00 0.00 54.79 52.22 2iei n ASP 514 Cb 0.79 1.76 0.56 0.00 -0.72 0.00 0.00 41.12 43.51 2iei n ASP 514 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2iei h LEU 515 N 3.87 0.00 -2.11 -2.67 6.46 -1.68 -1.73 115.31 117.45 2iei h LEU 515 Ca -0.14 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 2iei h LEU 515 Cb 1.03 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2iei h LEU 515 CO 0.31 0.00 -0.08 0.44 -0.62 0.00 0.00 178.44 178.49 2iei h ASP 516 N 0.00 0.00 0.07 1.25 3.32 -1.85 -2.11 116.42 117.10 2iei h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2iei h ASP 516 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2iei h ASP 516 CO 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 2iei n GLN 517 N -3.68 0.17 0.26 3.56 6.02 -0.65 -2.05 117.38 121.01 2iei n GLN 517 Ca -0.02 0.11 0.14 0.00 -0.01 0.00 0.00 57.00 57.22 2iei n GLN 517 Cb 0.19 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.61 2iei n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2iei h LEU 518 N 0.00 0.00 -2.55 1.08 4.07 -1.61 -3.05 115.31 113.26 2iei h LEU 518 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2iei h LEU 518 Cb 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2iei h LEU 518 CO 0.00 0.11 -0.02 0.03 -1.08 0.00 0.00 178.44 177.48 2iei h ARG 519 N 0.00 0.00 -0.15 1.13 3.08 -0.67 -0.75 114.38 117.03 2iei h ARG 519 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2iei h ARG 519 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2iei h ARG 519 CO 0.01 0.02 0.14 0.87 -1.07 0.00 0.00 179.97 179.94 2iei h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.78 -1.77 116.57 114.62 2iei h LYS 520 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2iei h LYS 520 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2iei h LYS 520 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 2iei h LEU 521 N 0.00 0.00 -1.67 2.94 3.38 -1.36 -2.55 115.31 116.05 2iei h LEU 521 Ca 0.07 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2iei h LEU 521 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2iei h LEU 521 CO -0.00 0.00 0.28 -0.07 0.09 0.00 0.00 178.44 178.74 2iei h LEU 522 N 0.00 0.37 0.00 1.67 4.07 -1.50 -0.01 115.31 119.91 2iei h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2iei h LEU 522 Cb 0.29 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2iei h LEU 522 CO 0.00 0.25 0.00 -1.54 -1.08 0.00 0.00 178.44 176.07 2iei n SER 523 N -4.48 0.00 -0.41 -0.43 3.41 -0.96 -2.88 113.62 107.87 2iei n SER 523 Ca 0.05 -0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.64 2iei n SER 523 Cb 0.18 -0.18 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2iei n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2iei n TYR 524 N -1.18 0.26 0.29 7.33 4.02 -0.02 -4.68 117.16 123.19 2iei n TYR 524 Ca 0.07 -0.42 0.18 0.00 -0.01 0.00 0.00 57.90 57.71 2iei n TYR 524 Cb 0.07 -0.03 0.81 0.00 -0.02 0.00 0.00 39.34 40.17 2iei n TYR 524 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 2iei h VAL 525 N 1.40 0.11 -0.23 -0.72 3.04 -1.60 -1.86 116.25 116.38 2iei h VAL 525 Ca 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2iei h VAL 525 Cb 0.60 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2iei h VAL 525 CO 0.00 0.03 0.00 0.47 -1.01 0.00 0.00 177.57 177.06 2iei n ASP 526 N -3.17 2.60 -4.62 3.17 8.00 -1.26 -4.87 116.55 116.39 2iei n ASP 526 Ca -0.01 -1.79 -0.43 0.00 0.71 0.00 0.00 54.79 53.27 2iei n ASP 526 Cb 0.25 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 2iei n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2iei s ASP 527 N -1.01 6.59 0.20 -2.24 -1.08 -0.70 -4.93 116.67 113.50 2iei s ASP 527 Ca 0.21 1.13 -0.10 0.00 -0.52 0.00 0.00 52.55 53.27 2iei s ASP 527 Cb 0.12 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 39.24 2iei s ASP 527 CO 0.16 -1.16 1.83 -0.33 0.52 0.00 0.00 175.17 176.19 2iei h GLU 528 N 9.62 0.74 -0.18 4.34 4.39 -1.93 -1.57 114.58 129.99 2iei h GLU 528 Ca -0.27 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2iei h GLU 528 Cb 1.10 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2iei h GLU 528 CO 1.04 0.49 0.10 0.00 -1.16 0.00 0.00 179.01 179.49 2iei h ALA 529 N 1.31 0.23 -0.71 3.43 0.00 -1.96 -1.16 119.26 120.40 2iei h ALA 529 Ca 0.28 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2iei h ALA 529 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2iei h ALA 529 CO -0.14 -0.24 0.21 0.35 0.00 0.00 0.00 179.25 179.43 2iei h PHE 530 N 0.20 1.15 -0.10 0.00 3.57 -1.83 0.22 116.94 120.16 2iei h PHE 530 Ca 0.06 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2iei h PHE 530 Cb 0.05 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 2iei h PHE 530 CO -0.04 0.91 0.06 0.82 -2.23 0.00 0.00 178.31 177.83 2iei h ILE 531 N 1.07 1.03 -0.22 1.41 2.04 -1.19 0.21 117.51 121.85 2iei h ILE 531 Ca 0.23 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 66.07 2iei h ILE 531 Cb 0.31 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2iei h ILE 531 CO -0.01 0.03 -0.13 -0.09 0.00 0.00 0.00 178.15 177.95 2iei h ARG 532 N 0.12 -0.11 -0.23 2.37 2.43 -0.92 -2.48 114.38 115.56 2iei h ARG 532 Ca 0.04 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2iei h ARG 532 Cb -0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2iei h ARG 532 CO -0.01 -0.07 0.06 -0.44 -1.51 0.00 0.00 179.97 178.00 2iei h ASP 533 N -0.12 0.35 -0.18 -3.80 3.32 -0.22 0.54 116.42 116.31 2iei h ASP 533 Ca 0.13 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2iei h ASP 533 Cb 0.30 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2iei h ASP 533 CO -0.30 0.48 -0.08 0.58 -1.72 0.00 0.00 179.24 178.20 2iei h VAL 534 N 0.20 0.73 -0.71 -1.35 2.07 -0.61 0.19 116.25 116.76 2iei h VAL 534 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2iei h VAL 534 Cb 0.27 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2iei h VAL 534 CO 0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 2iei h ALA 535 N 1.10 0.95 -0.47 1.67 0.00 -1.36 -2.46 119.26 118.69 2iei h ALA 535 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2iei h ALA 535 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2iei h ALA 535 CO -0.22 0.14 0.21 -0.22 0.00 0.00 0.00 179.25 179.16 2iei h LYS 536 N 0.79 0.69 -0.18 0.00 3.64 -0.16 -1.61 116.57 119.73 2iei h LYS 536 Ca 0.31 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2iei h LYS 536 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2iei h LYS 536 CO -0.16 0.60 -0.26 -0.39 -2.27 0.00 0.00 179.45 176.97 2iei h VAL 537 N 0.62 1.25 0.05 2.00 -1.51 -0.56 -1.73 116.25 116.37 2iei h VAL 537 Ca 0.16 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.43 2iei h VAL 537 Cb 0.15 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2iei h VAL 537 CO -0.02 0.37 -0.02 0.50 -1.23 0.00 0.00 177.57 177.17 2iei h LYS 538 N 0.30 -0.06 -0.70 5.19 1.63 -1.12 -1.39 116.57 120.42 2iei h LYS 538 Ca 0.05 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.94 2iei h LYS 538 Cb 0.62 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.20 2iei h LYS 538 CO 0.04 0.24 0.36 0.37 -3.45 0.00 0.00 179.45 177.01 2iei h GLN 539 N -0.36 0.60 -0.17 1.90 5.75 -1.25 -0.55 115.11 121.02 2iei h GLN 539 Ca -0.01 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2iei h GLN 539 Cb 0.33 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2iei h GLN 539 CO 0.01 0.40 0.04 0.93 -2.65 0.00 0.00 178.83 177.56 2iei h GLU 540 N 0.62 0.11 -0.83 1.69 5.08 -1.19 0.90 114.58 120.97 2iei h GLU 540 Ca 0.34 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2iei h GLU 540 Cb 0.33 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2iei h GLU 540 CO -0.25 0.08 0.55 -0.91 -1.00 0.00 0.00 179.01 177.47 2iei h ASN 541 N 0.12 0.94 -0.58 1.42 2.35 -0.89 -1.41 115.58 117.53 2iei h ASN 541 Ca 0.08 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2iei h ASN 541 Cb 0.06 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2iei h ASN 541 CO -0.09 0.67 0.19 0.11 -1.65 0.00 0.00 177.43 176.67 2iei h LYS 542 N 1.11 0.93 -0.71 0.81 1.57 -0.62 -1.42 116.57 118.25 2iei h LYS 542 Ca 0.31 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2iei h LYS 542 Cb -0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 2iei h LYS 542 CO -0.07 0.80 0.21 -0.07 -0.57 0.00 0.00 179.45 179.74 2iei h LEU 543 N 0.91 1.04 -0.39 2.94 3.38 -0.43 -2.45 115.31 120.31 2iei h LEU 543 Ca 0.20 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2iei h LEU 543 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2iei h LEU 543 CO -0.01 0.98 -0.14 0.11 0.09 0.00 0.00 178.44 179.47 2iei h LYS 544 N 1.05 0.78 -0.32 1.13 1.79 -0.56 -2.03 116.57 118.41 2iei h LYS 544 Ca 0.23 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.27 2iei h LYS 544 Cb 0.33 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2iei h LYS 544 CO -0.00 0.94 -0.22 0.35 -1.08 0.00 0.00 179.45 179.43 2iei h PHE 545 N 0.59 0.68 -0.56 -1.35 3.57 -1.31 -1.44 116.94 117.12 2iei h PHE 545 Ca 0.09 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2iei h PHE 545 Cb 0.68 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2iei h PHE 545 CO 0.05 0.78 0.17 0.00 -2.23 0.00 0.00 178.31 177.08 2iei h ALA 546 N 1.22 1.25 -0.30 2.41 0.00 -1.36 -2.03 119.26 120.44 2iei h ALA 546 Ca 0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2iei h ALA 546 Cb 0.67 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2iei h ALA 546 CO 0.05 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 2iei h ALA 547 N 1.37 0.41 -0.77 0.00 0.00 -1.03 -2.72 119.26 116.53 2iei h ALA 547 Ca 0.18 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2iei h ALA 547 Cb 0.25 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2iei h ALA 547 CO -0.01 0.25 0.42 -0.92 0.00 0.00 0.00 179.25 178.99 2iei h TYR 548 N 0.35 0.76 -0.41 0.00 5.03 -0.99 0.19 116.97 121.90 2iei h TYR 548 Ca 0.07 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 61.27 2iei h TYR 548 Cb 0.58 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 2iei h TYR 548 CO 0.05 0.30 -0.29 -0.07 -1.32 0.00 0.00 178.16 176.84 2iei h LEU 549 N 0.71 0.97 -0.16 2.82 3.38 -1.38 -1.18 115.31 120.47 2iei h LEU 549 Ca 0.37 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2iei h LEU 549 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2iei h LEU 549 CO -0.25 1.19 0.06 -0.08 0.09 0.00 0.00 178.44 179.45 2iei h GLU 550 N 0.75 0.24 -0.54 1.13 4.22 -1.12 0.26 114.58 119.53 2iei h GLU 550 Ca 0.08 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.36 2iei h GLU 550 Cb 0.87 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2iei h GLU 550 CO 0.08 0.34 -0.12 0.00 -2.18 0.00 0.00 179.01 177.13 2iei h ARG 551 N 0.09 1.03 0.00 1.92 2.47 -0.56 -3.34 114.38 116.00 2iei h ARG 551 Ca 0.05 -0.39 -0.15 0.00 -1.26 0.00 0.00 59.98 58.23 2iei h ARG 551 Cb 0.19 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 2iei h ARG 551 CO -0.00 1.08 -2.04 -1.91 0.56 0.00 0.00 179.97 177.65 2iei n GLU 552 N -4.15 0.66 0.00 0.04 4.07 -0.45 -5.08 120.64 115.73 2iei n GLU 552 Ca 0.01 -0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 2iei n GLU 552 Cb 0.41 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 2iei n GLU 552 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2iei n TYR 553 N -2.52 0.00 -3.63 4.31 4.01 -0.01 -5.07 117.16 114.26 2iei n TYR 553 Ca -0.15 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.50 2iei n TYR 553 Cb 0.81 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.78 2iei n TYR 553 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2iei s VAL 555 N 0.00 0.00 -0.30 -0.72 -7.23 -0.68 -4.49 120.40 106.97 2iei s VAL 555 Ca 0.00 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.02 2iei s VAL 555 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 2iei s VAL 555 CO 0.00 0.00 0.36 -2.28 -0.31 0.00 0.00 175.10 172.87 2iei s HIS 556 N -0.01 3.23 0.07 2.82 2.46 -1.26 -2.84 115.29 119.75 2iei s HIS 556 Ca 0.03 0.21 0.04 0.00 0.47 0.00 0.00 55.06 55.81 2iei s HIS 556 Cb -0.04 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 2iei s HIS 556 CO -0.05 -0.32 0.00 0.96 -2.47 0.00 0.00 174.74 172.86 2iei s ILE 557 N 2.05 4.07 -0.30 0.89 -4.36 -1.26 -5.08 121.20 117.20 2iei s ILE 557 Ca 0.13 -0.88 -0.29 0.00 -0.26 0.00 0.00 60.65 59.35 2iei s ILE 557 Cb -0.16 -2.91 -0.00 0.00 1.25 0.00 0.00 42.46 40.64 2iei s ILE 557 CO 0.11 0.18 1.39 0.21 0.24 0.00 0.00 174.94 177.08 2iei s ASN 558 N -2.12 6.54 0.49 4.36 3.84 -1.26 -4.89 114.94 121.90 2iei s ASN 558 Ca 0.24 1.22 0.24 0.00 0.21 0.00 0.00 52.86 54.78 2iei s ASN 558 Cb -0.12 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.30 2iei s ASN 558 CO 0.16 -1.19 2.00 -0.65 -2.79 0.00 0.00 177.10 174.64 2iei h PRO 559 N 9.89 0.00 -2.21 0.43 0.11 -1.98 -3.14 132.00 135.10 2iei h PRO 559 Ca -0.28 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.05 2iei h PRO 559 Cb 1.11 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 31.97 2iei h PRO 559 CO 1.04 0.17 1.15 0.09 -0.21 0.00 0.00 178.00 180.24 2iei n ASN 560 N -3.71 7.44 -3.91 -2.05 5.03 -1.26 -4.92 115.26 111.87 2iei n ASN 560 Ca -0.02 -3.65 -0.09 0.00 0.87 0.00 0.00 54.58 51.69 2iei n ASN 560 Cb 0.28 -1.17 -0.09 0.00 -1.02 0.00 0.00 39.78 37.79 2iei n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2iei s SER 561 N -1.04 0.17 -0.10 6.41 1.04 -1.19 -4.85 113.70 114.14 2iei s SER 561 Ca 0.45 -0.57 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 2iei s SER 561 Cb 0.26 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 2iei s SER 561 CO -0.21 -0.57 1.77 -0.22 0.98 0.00 0.00 173.24 174.99 2iei s LEU 562 N -2.33 4.12 -0.76 2.42 0.20 -0.02 -4.76 118.68 117.55 2iei s LEU 562 Ca -0.02 2.11 -0.26 0.00 0.69 0.00 0.00 54.13 56.64 2iei s LEU 562 Cb 0.01 -3.53 0.03 0.00 -0.43 0.00 0.00 46.19 42.27 2iei s LEU 562 CO -0.06 -1.16 1.28 -0.36 -0.29 0.00 0.00 176.35 175.75 2iei s PHE 563 N 4.94 2.32 -0.48 5.38 0.40 -1.26 -1.41 117.98 127.87 2iei s PHE 563 Ca 0.79 -0.14 -0.19 0.00 -0.60 0.00 0.00 56.93 56.79 2iei s PHE 563 Cb -0.33 -4.62 0.05 0.00 0.51 0.00 0.00 43.02 38.63 2iei s PHE 563 CO 0.32 -2.05 0.58 0.34 0.70 0.00 0.00 175.22 175.11 2iei s ASP 564 N 3.83 6.23 -0.15 1.36 -1.08 -0.05 -1.44 116.67 125.37 2iei s ASP 564 Ca 0.35 -0.81 0.02 0.00 -0.52 0.00 0.00 52.55 51.59 2iei s ASP 564 Cb -0.08 -2.27 0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2iei s ASP 564 CO 0.13 -0.80 -0.21 -0.69 0.52 0.00 0.00 175.17 174.12 2iei s VAL 565 N 2.50 2.13 -0.31 1.11 1.01 -0.35 0.38 120.40 126.87 2iei s VAL 565 Ca 0.15 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2iei s VAL 565 Cb -0.18 -1.86 0.09 0.00 0.00 0.00 0.00 36.38 34.43 2iei s VAL 565 CO 0.13 0.54 0.04 -1.58 0.00 0.00 0.00 175.10 174.24 2iei s GLN 566 N 0.90 1.27 -0.12 2.72 0.74 -0.16 -1.36 119.66 123.65 2iei s GLN 566 Ca -0.05 -1.45 0.02 0.00 0.05 0.00 0.00 55.36 53.93 2iei s GLN 566 Cb -0.15 -2.69 0.01 0.00 1.10 0.00 0.00 33.01 31.28 2iei s GLN 566 CO -0.04 -0.89 -0.17 0.14 -0.55 0.00 0.00 175.29 173.79 2iei s VAL 567 N 1.23 1.65 0.00 1.34 -7.23 -1.26 -1.42 120.40 114.71 2iei s VAL 567 Ca 0.07 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 2iei s VAL 567 Cb -0.18 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.26 2iei s VAL 567 CO -0.13 0.47 0.00 2.29 -0.31 0.00 0.00 175.10 177.42 2iei n LYS 568 N 4.23 -0.84 -1.75 4.82 2.85 -0.97 -4.98 118.16 121.52 2iei n LYS 568 Ca -0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 2iei n LYS 568 Cb 0.51 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.93 2iei n LYS 568 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2iei s ARG 569 N -2.00 3.14 -0.31 -1.58 1.81 -1.26 -3.85 118.95 114.89 2iei s ARG 569 Ca 0.00 2.28 -0.29 0.00 -1.72 0.00 0.00 55.73 56.00 2iei s ARG 569 Cb 0.00 -2.27 0.01 0.00 -0.45 0.00 0.00 34.95 32.24 2iei s ARG 569 CO 0.00 -1.21 1.10 0.42 -0.68 0.00 0.00 175.30 174.93 2iei s ILE 570 N -1.28 4.48 0.01 1.52 -1.09 -0.64 -4.90 121.20 119.31 2iei s ILE 570 Ca 0.71 1.72 -0.10 0.00 -2.23 0.00 0.00 60.65 60.75 2iei s ILE 570 Cb -0.41 -4.38 0.01 0.00 -1.58 0.00 0.00 42.46 36.10 2iei s ILE 570 CO 0.49 -0.45 0.20 -1.00 -1.23 0.00 0.00 174.94 172.95 2iei s HIS 571 N 3.68 -0.00 0.17 3.97 3.76 -1.26 -4.70 115.29 120.90 2iei s HIS 571 Ca 0.46 -0.10 -0.14 0.00 -0.15 0.00 0.00 55.06 55.14 2iei s HIS 571 Cb -0.13 -0.01 0.11 0.00 1.11 0.00 0.00 32.58 33.66 2iei s HIS 571 CO 0.15 -0.37 1.79 0.93 -0.85 0.00 0.00 174.74 176.39 2iei h GLU 572 N 3.83 0.49 0.00 1.40 5.08 -1.96 -3.00 114.58 120.42 2iei h GLU 572 Ca -0.31 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2iei h GLU 572 Cb 1.19 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2iei h GLU 572 CO 0.44 0.32 -0.13 0.10 -1.00 0.00 0.00 179.01 178.74 2iei h TYR 573 N 0.50 0.00 0.00 4.33 -0.00 -1.97 0.73 116.97 120.57 2iei h TYR 573 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.94 2iei h TYR 573 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.82 2iei h TYR 573 CO -0.09 0.13 0.00 0.87 -0.00 0.00 0.00 178.16 179.07 2iei h LYS 574 N 0.00 0.00 -6.15 0.10 1.79 -1.87 -3.11 116.57 107.32 2iei h LYS 574 Ca -0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.03 2iei h LYS 574 Cb 0.24 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.92 2iei h LYS 574 CO 0.02 0.00 -0.81 0.54 -1.08 0.00 0.00 179.45 178.11 2iei n ARG 575 N -3.00 -5.04 -0.08 3.15 1.74 0.25 -4.00 116.66 109.67 2iei n ARG 575 Ca 0.01 0.61 0.24 0.00 -0.77 0.00 0.00 57.85 57.94 2iei n ARG 575 Cb 0.31 -5.24 0.71 0.00 -1.02 0.00 0.00 32.46 27.22 2iei n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2iei h GLN 576 N -1.93 0.00 -0.09 5.56 7.50 -1.82 -1.65 115.11 122.69 2iei h GLN 576 Ca -0.60 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.48 2iei h GLN 576 Cb 1.36 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.88 2iei h GLN 576 CO 0.59 0.00 -0.27 1.25 -1.50 0.00 0.00 178.83 178.90 2iei h LEU 577 N 0.00 0.15 -0.39 1.46 5.85 -1.89 -0.67 115.31 119.82 2iei h LEU 577 Ca 0.33 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 2iei h LEU 577 Cb 1.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2iei h LEU 577 CO -0.00 0.42 -0.17 0.25 -0.34 0.00 0.00 178.44 178.60 2iei h LEU 578 N 0.14 0.83 -0.73 2.25 5.85 -1.67 -2.23 115.31 119.75 2iei h LEU 578 Ca 0.02 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2iei h LEU 578 Cb 0.55 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 2iei h LEU 578 CO 0.04 1.04 0.42 -1.13 -0.34 0.00 0.00 178.44 178.46 2iei h ASN 579 N 0.61 0.62 -0.53 1.25 -0.00 -1.29 -2.49 115.58 113.76 2iei h ASN 579 Ca 0.09 0.03 0.06 0.00 -0.00 0.00 0.00 56.30 56.48 2iei h ASN 579 Cb 0.72 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.89 2iei h ASN 579 CO 0.05 0.39 0.22 0.00 -0.00 0.00 0.00 177.43 178.10 2iei h LEU 581 N 0.43 1.02 -0.86 0.00 3.38 -1.09 -1.59 115.31 116.61 2iei h LEU 581 Ca 0.25 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2iei h LEU 581 Cb 0.23 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2iei h LEU 581 CO -0.22 0.93 0.29 -0.74 0.09 0.00 0.00 178.44 178.80 2iei h HIS 582 N 1.07 1.15 -0.41 1.13 2.76 -0.99 -0.81 115.15 119.05 2iei h HIS 582 Ca 0.24 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2iei h HIS 582 Cb 0.26 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2iei h HIS 582 CO 0.02 0.88 0.08 0.28 -1.30 0.00 0.00 177.93 177.88 2iei h VAL 583 N 1.10 1.24 -0.31 5.26 2.07 -0.78 -0.01 116.25 124.83 2iei h VAL 583 Ca 0.25 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2iei h VAL 583 Cb 0.22 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2iei h VAL 583 CO -0.02 0.29 -0.16 0.40 0.02 0.00 0.00 177.57 178.10 2iei h ILE 584 N 0.53 1.25 0.07 4.57 2.04 -1.26 -0.78 117.51 123.93 2iei h ILE 584 Ca 0.13 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2iei h ILE 584 Cb 0.35 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2iei h ILE 584 CO 0.01 0.37 -0.08 0.74 0.00 0.00 0.00 178.15 179.18 2iei h THR 585 N 0.50 0.81 -0.60 -0.27 2.02 -0.75 0.20 112.91 114.81 2iei h THR 585 Ca 0.08 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.39 2iei h THR 585 Cb 0.57 0.81 -0.12 0.00 -1.74 0.00 0.00 68.15 67.67 2iei h THR 585 CO 0.04 0.00 -0.17 -0.07 0.37 0.00 0.00 175.52 175.69 2iei h LEU 586 N -0.17 -0.62 0.16 2.58 4.07 -0.71 0.71 115.31 121.31 2iei h LEU 586 Ca 0.01 0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 2iei h LEU 586 Cb 0.17 0.40 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2iei h LEU 586 CO -0.03 -0.21 -0.09 0.22 -1.08 0.00 0.00 178.44 177.25 2iei h TYR 587 N -0.02 -0.23 -0.34 1.13 3.20 -0.49 -2.34 116.97 117.89 2iei h TYR 587 Ca 0.29 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 2iei h TYR 587 Cb 0.46 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2iei h TYR 587 CO -0.51 -0.14 -0.02 -0.91 -1.64 0.00 0.00 178.16 174.94 2iei h ASN 588 N -0.23 0.49 -0.48 -2.11 2.35 -0.32 -1.96 115.58 113.33 2iei h ASN 588 Ca -0.02 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 2iei h ASN 588 Cb 0.19 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2iei h ASN 588 CO 0.03 0.58 0.06 0.03 -1.65 0.00 0.00 177.43 176.47 2iei h ARG 589 N 0.50 0.87 -0.31 0.81 3.08 -0.69 -0.86 114.38 117.78 2iei h ARG 589 Ca 0.11 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2iei h ARG 589 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2iei h ARG 589 CO 0.01 0.83 -0.00 0.82 -1.07 0.00 0.00 179.97 180.56 2iei h ILE 590 N 0.82 1.26 -0.16 2.04 2.04 -0.97 -2.41 117.51 120.13 2iei h ILE 590 Ca 0.17 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2iei h ILE 590 Cb 0.41 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2iei h ILE 590 CO 0.01 0.31 -0.05 0.11 0.00 0.00 0.00 178.15 178.53 2iei h LYS 591 N 0.34 0.24 -0.02 2.37 1.79 -1.15 -0.57 116.57 119.56 2iei h LYS 591 Ca 0.09 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.32 2iei h LYS 591 Cb 0.45 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2iei h LYS 591 CO 0.02 0.31 -0.82 0.87 -1.08 0.00 0.00 179.45 178.74 2iei h LYS 592 N 0.23 0.28 -2.39 3.15 1.79 -1.03 -3.39 116.57 115.22 2iei h LYS 592 Ca 0.05 -0.27 -0.59 0.00 -2.18 0.00 0.00 60.65 57.67 2iei h LYS 592 Cb 0.25 0.07 -0.38 0.00 -1.58 0.00 0.00 32.23 30.59 2iei h LYS 592 CO 0.01 0.96 -0.97 -1.21 -1.08 0.00 0.00 179.45 177.16 2iei s GLU 593 N -3.37 0.88 0.53 3.15 2.02 -0.92 -5.02 118.70 115.98 2iei s GLU 593 Ca -0.04 -2.05 0.26 0.00 0.02 0.00 0.00 54.97 53.16 2iei s GLU 593 Cb 0.10 -1.41 1.50 0.00 0.10 0.00 0.00 34.13 34.42 2iei s GLU 593 CO 0.83 -1.37 2.13 -1.35 0.02 0.00 0.00 175.26 175.52 2iei h PRO 594 N 5.75 0.00 0.00 0.39 0.11 -1.31 -2.87 132.00 134.08 2iei h PRO 594 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2iei h PRO 594 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2iei h PRO 594 CO 0.36 0.08 -0.39 -0.91 -0.21 0.00 0.00 178.00 176.93 2iei h ASN 595 N 0.00 0.00 -3.08 -2.05 -0.26 -1.95 -3.46 115.58 104.78 2iei h ASN 595 Ca -0.00 -0.05 -0.55 0.00 -0.56 0.00 0.00 56.30 55.14 2iei h ASN 595 Cb 0.20 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2iei h ASN 595 CO 0.01 0.03 0.71 -0.75 -1.06 0.00 0.00 177.43 176.36 2iei s LYS 596 N -3.21 4.35 0.26 0.81 2.20 -1.08 -4.98 119.74 118.08 2iei s LYS 596 Ca 0.06 1.67 -0.31 0.00 -0.36 0.00 0.00 55.97 57.03 2iei s LYS 596 Cb 0.10 -3.57 -0.13 0.00 -1.51 0.00 0.00 37.83 32.72 2iei s LYS 596 CO 0.70 -0.46 1.49 0.34 -0.36 0.00 0.00 175.35 177.05 2iei n PHE 597 N 5.27 2.46 -4.58 4.03 7.35 -1.26 -5.03 117.46 125.70 2iei n PHE 597 Ca 0.11 0.36 -0.22 0.00 -0.76 0.00 0.00 57.45 56.94 2iei n PHE 597 Cb 0.46 -2.52 -0.15 0.00 0.35 0.00 0.00 39.48 37.63 2iei n PHE 597 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2iei s VAL 598 N -0.05 1.05 -0.18 -2.13 -7.23 -1.26 -5.10 120.40 105.50 2iei s VAL 598 Ca 0.66 -0.60 -0.33 0.00 -1.81 0.00 0.00 61.98 59.89 2iei s VAL 598 Cb -0.58 -0.88 -0.11 0.00 0.56 0.00 0.00 36.38 35.37 2iei s VAL 598 CO 0.49 0.27 2.01 0.52 -0.31 0.00 0.00 175.10 178.09 2iei n VAL 599 N 2.68 0.45 -1.83 1.32 0.31 -1.26 -4.89 118.33 115.11 2iei n VAL 599 Ca -0.14 -0.20 -0.41 0.00 -0.01 0.00 0.00 64.34 63.57 2iei n VAL 599 Cb 0.55 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 2iei n VAL 599 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2iei s PRO 600 N 4.98 4.15 0.02 5.55 0.04 -1.26 -4.90 135.00 143.58 2iei s PRO 600 Ca 0.98 2.52 0.04 0.00 0.04 0.00 0.00 61.00 64.59 2iei s PRO 600 Cb -0.68 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.81 2iei s PRO 600 CO 0.49 -0.58 -0.14 1.03 0.04 0.00 0.00 177.00 177.84 2iei s ARG 601 N -0.52 0.99 -0.31 4.56 0.52 -0.83 -0.84 118.95 122.51 2iei s ARG 601 Ca 0.62 -0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 55.14 2iei s ARG 601 Cb -0.46 -0.98 0.03 0.00 0.52 0.00 0.00 34.95 34.05 2iei s ARG 601 CO 0.47 0.26 0.08 0.99 0.02 0.00 0.00 175.30 177.12 2iei s THR 602 N -0.61 3.76 -0.26 0.02 2.01 -0.50 -2.27 115.64 117.80 2iei s THR 602 Ca 0.03 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 2iei s THR 602 Cb -0.07 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2iei s THR 602 CO 0.00 -0.05 0.44 -0.69 -0.69 0.00 0.00 174.62 173.63 2iei s VAL 603 N 1.43 5.13 -0.12 3.82 1.01 0.12 -0.87 120.40 130.92 2iei s VAL 603 Ca -0.00 0.73 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2iei s VAL 603 Cb -0.18 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 2iei s VAL 603 CO 0.02 0.14 -0.21 -0.04 0.00 0.00 0.00 175.10 175.00 2iei s MET 604 N 2.08 3.10 -0.08 2.72 -1.94 0.16 -0.84 119.30 124.50 2iei s MET 604 Ca 0.18 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 2iei s MET 604 Cb -0.16 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.30 2iei s MET 604 CO 0.09 0.13 -0.12 0.42 -0.01 0.00 0.00 175.02 175.54 2iei s ILE 605 N 0.47 1.15 0.10 2.53 1.01 -0.86 -0.99 121.20 124.61 2iei s ILE 605 Ca -0.14 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2iei s ILE 605 Cb -0.17 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2iei s ILE 605 CO 0.06 0.37 -0.09 -0.83 0.00 0.00 0.00 174.94 174.44 2iei s GLY 606 N 0.93 0.82 0.00 6.18 0.00 -0.51 -0.69 107.32 114.06 2iei s GLY 606 Ca -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2iei s GLY 606 CO 0.00 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.41 2iei n GLY 607 N 0.40 4.28 3.87 0.20 0.00 -1.25 -2.29 105.19 110.40 2iei n GLY 607 Ca -0.15 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 2iei n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iei s LYS 608 N -3.22 3.81 -0.08 1.61 1.02 -1.26 -4.65 119.74 116.97 2iei s LYS 608 Ca 0.00 0.25 -0.03 0.00 0.02 0.00 0.00 55.97 56.22 2iei s LYS 608 Cb 0.00 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2iei s LYS 608 CO 0.00 0.46 0.04 0.00 -0.92 0.00 0.00 175.35 174.93 2iei s ALA 609 N -1.56 3.46 0.16 5.17 0.00 -1.26 -1.61 121.76 126.11 2iei s ALA 609 Ca 0.39 -0.78 -0.34 0.00 0.00 0.00 0.00 51.96 51.23 2iei s ALA 609 Cb -0.13 -1.60 -0.14 0.00 0.00 0.00 0.00 23.12 21.25 2iei s ALA 609 CO 0.20 0.61 1.56 0.00 0.00 0.00 0.00 175.76 178.13 2iei n ALA 610 N 1.96 1.22 -0.08 0.00 0.00 -1.26 -4.84 120.51 117.50 2iei n ALA 610 Ca -0.18 0.45 0.25 0.00 0.00 0.00 0.00 53.44 53.96 2iei n ALA 610 Cb 0.54 -2.33 0.72 0.00 0.00 0.00 0.00 19.45 18.37 2iei n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2iei h PRO 611 N 5.83 0.00 -0.04 0.00 0.11 -1.98 0.13 132.00 136.05 2iei h PRO 611 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2iei h PRO 611 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2iei h PRO 611 CO 0.88 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 2iei n GLY 612 N -1.64 0.64 3.46 -0.55 0.00 -1.26 -4.83 105.19 101.02 2iei n GLY 612 Ca 0.15 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 2iei n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2iei s TYR 613 N -1.98 2.92 0.10 1.61 6.14 0.46 -4.91 117.35 121.69 2iei s TYR 613 Ca 0.32 -1.08 -0.21 0.00 0.64 0.00 0.00 57.07 56.74 2iei s TYR 613 Cb 0.20 -4.33 -0.11 0.00 0.42 0.00 0.00 41.96 38.15 2iei s TYR 613 CO 0.31 -1.59 1.73 1.25 0.64 0.00 0.00 175.55 177.90 2iei h HIS 614 N 9.16 0.15 -0.44 4.97 -0.00 -1.88 -1.52 115.15 125.59 2iei h HIS 614 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2iei h HIS 614 Cb 1.04 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 2iei h HIS 614 CO 1.12 0.13 0.26 1.98 -0.00 0.00 0.00 177.93 181.41 2iei h MET 615 N 0.13 0.51 -0.75 5.26 1.85 -1.98 -1.30 114.93 118.65 2iei h MET 615 Ca 0.04 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.10 2iei h MET 615 Cb 0.02 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 31.90 2iei h MET 615 CO -0.01 0.33 0.45 0.00 -0.40 0.00 0.00 176.91 177.29 2iei h ALA 616 N 1.19 1.39 -0.43 0.39 0.00 -1.84 -0.39 119.26 119.57 2iei h ALA 616 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2iei h ALA 616 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2iei h ALA 616 CO -0.08 0.53 -0.11 0.87 0.00 0.00 0.00 179.25 180.46 2iei h LYS 617 N 1.03 0.77 -0.56 0.00 1.57 -0.93 -2.48 116.57 115.98 2iei h LYS 617 Ca 0.27 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2iei h LYS 617 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2iei h LYS 617 CO -0.05 0.86 -0.10 0.52 -0.57 0.00 0.00 179.45 180.11 2iei h MET 618 N 0.70 1.05 -0.64 3.15 2.86 -0.61 -2.36 114.93 119.08 2iei h MET 618 Ca 0.12 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2iei h MET 618 Cb 0.59 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2iei h MET 618 CO 0.04 1.08 0.40 0.82 1.06 0.00 0.00 176.91 180.31 2iei h ILE 619 N 0.93 1.18 -0.73 -1.22 2.04 -0.93 0.27 117.51 119.05 2iei h ILE 619 Ca 0.15 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2iei h ILE 619 Cb 0.67 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2iei h ILE 619 CO 0.05 0.18 0.46 0.40 0.00 0.00 0.00 178.15 179.24 2iei h ILE 620 N 0.86 1.20 -0.62 -0.67 2.04 -1.36 -2.01 117.51 116.96 2iei h ILE 620 Ca 0.23 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2iei h ILE 620 Cb -0.05 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 2iei h ILE 620 CO -0.05 0.20 0.23 0.50 0.00 0.00 0.00 178.15 179.03 2iei h LYS 621 N 1.00 0.92 -0.35 2.37 1.63 -0.78 -2.37 116.57 118.98 2iei h LYS 621 Ca 0.26 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2iei h LYS 621 Cb -0.07 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 2iei h LYS 621 CO -0.05 0.76 0.15 1.25 -3.45 0.00 0.00 179.45 178.11 2iei h LEU 622 N 0.90 0.48 -0.26 5.20 6.46 -0.10 -1.42 115.31 126.57 2iei h LEU 622 Ca 0.21 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2iei h LEU 622 Cb 0.21 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2iei h LEU 622 CO -0.02 0.51 0.16 0.40 -0.62 0.00 0.00 178.44 178.88 2iei h ILE 623 N 0.42 1.08 -0.65 4.05 2.04 -1.12 0.30 117.51 123.64 2iei h ILE 623 Ca 0.12 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2iei h ILE 623 Cb 0.17 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2iei h ILE 623 CO -0.01 0.08 0.29 0.71 0.00 0.00 0.00 178.15 179.22 2iei h THR 624 N 0.33 1.23 -0.28 -0.27 1.35 -1.43 -2.27 112.91 111.57 2iei h THR 624 Ca 0.09 -0.68 -0.10 0.00 -0.55 0.00 0.00 66.41 65.18 2iei h THR 624 Cb -0.00 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 2iei h THR 624 CO -0.02 0.27 -0.23 0.00 -0.25 0.00 0.00 175.52 175.29 2iei h ALA 625 N 1.13 1.08 0.18 6.62 0.00 -0.82 0.87 119.26 128.32 2iei h ALA 625 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2iei h ALA 625 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2iei h ALA 625 CO -0.02 0.56 -0.15 0.82 0.00 0.00 0.00 179.25 180.46 2iei h ILE 626 N 0.47 0.68 -0.96 0.00 2.04 -0.88 -2.72 117.51 116.13 2iei h ILE 626 Ca 0.07 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.12 2iei h ILE 626 Cb 0.66 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 2iei h ILE 626 CO 0.05 0.00 0.61 1.23 0.00 0.00 0.00 178.15 180.04 2iei h GLY 627 N -0.34 1.30 1.38 5.37 0.00 -0.77 0.64 103.07 110.64 2iei h GLY 627 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2iei h GLY 627 CO -0.02 -0.02 0.37 -0.55 0.00 0.00 0.00 176.54 176.33 2iei h ASP 628 N 0.59 0.73 0.02 0.19 3.32 -0.54 -1.51 116.42 119.22 2iei h ASP 628 Ca 0.52 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.34 2iei h ASP 628 Cb 1.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 2iei h ASP 628 CO -0.27 0.56 -1.05 0.58 -1.72 0.00 0.00 179.24 177.34 2iei h VAL 629 N 0.85 1.10 -0.27 -1.35 2.07 -1.11 -3.37 116.25 114.16 2iei h VAL 629 Ca 0.22 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 2iei h VAL 629 Cb -0.04 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2iei h VAL 629 CO -0.04 0.45 0.11 0.58 0.02 0.00 0.00 177.57 178.68 2iei h VAL 630 N -0.87 1.18 0.00 2.57 2.07 -0.96 -2.81 116.25 117.44 2iei h VAL 630 Ca -0.28 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2iei h VAL 630 Cb 1.33 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2iei h VAL 630 CO -0.12 0.19 0.00 0.59 0.02 0.00 0.00 177.57 178.24 2iei n ASN 631 N -4.76 0.64 -0.23 0.57 3.02 -0.57 -3.18 115.26 110.75 2iei n ASN 631 Ca -0.02 0.64 0.04 0.00 -0.03 0.00 0.00 54.58 55.21 2iei n ASN 631 Cb 0.14 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 38.53 2iei n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2iei n HIS 632 N -2.18 0.00 -2.59 3.10 8.25 -1.18 -4.89 115.22 115.73 2iei n HIS 632 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 2iei n HIS 632 Cb 0.26 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 2iei n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2iei s ASP 633 N -1.08 6.78 0.47 0.41 -1.08 -1.07 -4.92 116.67 116.19 2iei s ASP 633 Ca 0.08 0.88 0.18 0.00 -0.52 0.00 0.00 52.55 53.17 2iei s ASP 633 Cb 0.07 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.17 2iei s ASP 633 CO 0.18 -1.04 1.99 1.55 0.52 0.00 0.00 175.17 178.36 2iei h PRO 634 N 8.70 0.22 -0.23 4.34 0.13 -1.93 -1.03 132.00 142.21 2iei h PRO 634 Ca -0.22 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 2iei h PRO 634 Cb 1.07 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2iei h PRO 634 CO 1.07 0.15 -0.07 0.28 -0.23 0.00 0.00 178.00 179.19 2iei h VAL 635 N 0.23 1.18 0.00 1.56 2.07 -1.97 -3.31 116.25 116.02 2iei h VAL 635 Ca 0.26 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2iei h VAL 635 Cb 0.73 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2iei h VAL 635 CO -0.05 0.25 -0.06 0.58 0.02 0.00 0.00 177.57 178.31 2iei h VAL 636 N 0.34 0.00 0.00 2.57 2.07 -1.53 -3.49 116.25 116.21 2iei h VAL 636 Ca 0.07 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2iei h VAL 636 Cb 0.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2iei h VAL 636 CO 0.02 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2iei n GLY 637 N 1.84 4.30 0.05 2.17 0.00 -0.98 -2.57 105.19 110.00 2iei n GLY 637 Ca -0.01 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2iei n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2iei n ASP 638 N 8.80 0.31 0.10 1.61 5.68 -1.26 -3.77 116.55 128.03 2iei n ASP 638 Ca 0.00 0.55 -0.02 0.00 -0.50 0.00 0.00 54.79 54.81 2iei n ASP 638 Cb 0.00 -0.62 0.20 0.00 -1.14 0.00 0.00 41.12 39.56 2iei n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2iei h ARG 639 N 0.00 0.19 -2.70 0.11 3.08 -1.85 -3.43 114.38 109.80 2iei h ARG 639 Ca 0.00 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2iei h ARG 639 Cb 0.46 0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.23 2iei h ARG 639 CO 0.00 0.64 -0.41 -1.17 -1.07 0.00 0.00 179.97 177.96 2iei s LEU 640 N -8.09 -0.31 -0.05 3.04 2.96 -1.25 -1.96 118.68 113.02 2iei s LEU 640 Ca -0.04 0.81 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 2iei s LEU 640 Cb 0.13 1.10 -0.01 0.00 0.50 0.00 0.00 46.19 47.91 2iei s LEU 640 CO 0.77 -0.22 -0.21 -0.13 -1.32 0.00 0.00 176.35 175.25 2iei s ARG 641 N 2.15 2.10 -0.20 1.98 1.81 -0.96 -4.60 118.95 121.23 2iei s ARG 641 Ca -0.03 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.25 2iei s ARG 641 Cb -0.11 -1.82 0.03 0.00 -0.45 0.00 0.00 34.95 32.61 2iei s ARG 641 CO -0.11 0.32 -0.17 0.08 -0.68 0.00 0.00 175.30 174.73 2iei s VAL 642 N -0.09 2.07 -0.02 3.52 1.01 -1.26 0.16 120.40 125.78 2iei s VAL 642 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 60.88 2iei s VAL 642 Cb -0.12 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2iei s VAL 642 CO 0.03 0.38 -0.16 0.27 0.00 0.00 0.00 175.10 175.61 2iei s ILE 643 N 1.25 1.32 -0.25 2.22 -4.36 -0.02 -4.41 121.20 116.95 2iei s ILE 643 Ca 0.01 -0.69 -0.20 0.00 -0.26 0.00 0.00 60.65 59.51 2iei s ILE 643 Cb -0.15 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.42 2iei s ILE 643 CO -0.11 0.38 0.61 0.12 0.24 0.00 0.00 174.94 176.19 2iei s PHE 644 N -0.20 3.29 -0.45 1.37 5.36 -1.26 -2.02 117.98 124.06 2iei s PHE 644 Ca 0.02 0.80 -0.29 0.00 -0.96 0.00 0.00 56.93 56.50 2iei s PHE 644 Cb -0.08 -2.82 0.02 0.00 -0.34 0.00 0.00 43.02 39.80 2iei s PHE 644 CO 0.00 -0.31 1.23 -0.51 -1.46 0.00 0.00 175.22 174.18 2iei s LEU 645 N 2.43 3.63 0.29 6.12 1.02 0.13 -4.96 118.68 127.33 2iei s LEU 645 Ca 0.26 0.60 -0.29 0.00 0.02 0.00 0.00 54.13 54.71 2iei s LEU 645 Cb -0.16 -3.55 -0.10 0.00 0.02 0.00 0.00 46.19 42.41 2iei s LEU 645 CO 0.09 -1.30 1.14 -0.70 0.02 0.00 0.00 176.35 175.59 2iei s GLU 646 N 4.60 4.59 -1.24 1.70 2.12 -1.26 -4.12 118.70 125.09 2iei s GLU 646 Ca 0.52 1.88 -0.02 0.00 0.36 0.00 0.00 54.97 57.72 2iei s GLU 646 Cb -0.09 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2iei s GLU 646 CO 0.32 0.14 1.01 -1.71 -0.54 0.00 0.00 175.26 174.47 2iei n ASN 647 N 1.12 -2.70 -4.68 -1.70 5.15 -1.25 -4.91 115.26 106.28 2iei n ASN 647 Ca -0.01 -0.62 -0.45 0.00 -0.60 0.00 0.00 54.58 52.90 2iei n ASN 647 Cb 0.44 -5.02 -0.04 0.00 -0.53 0.00 0.00 39.78 34.63 2iei n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2iei n TYR 648 N -4.29 2.45 -3.87 1.20 9.36 -1.26 -4.88 117.16 115.88 2iei n TYR 648 Ca -0.24 -0.08 -0.09 0.00 3.32 0.00 0.00 57.90 60.81 2iei n TYR 648 Cb 0.65 -2.69 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 2iei n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2iei s ARG 649 N 3.18 2.04 0.20 2.98 1.70 -1.26 -4.70 118.95 123.10 2iei s ARG 649 Ca 0.86 -1.35 -0.10 0.00 -0.47 0.00 0.00 55.73 54.66 2iei s ARG 649 Cb -0.57 0.59 0.27 0.00 -0.57 0.00 0.00 34.95 34.67 2iei s ARG 649 CO 0.43 -0.94 1.71 0.28 -1.08 0.00 0.00 175.30 175.70 2iei h VAL 650 N 2.03 0.67 0.00 4.99 2.07 -1.95 0.30 116.25 124.36 2iei h VAL 650 Ca -0.28 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2iei h VAL 650 Cb 1.25 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2iei h VAL 650 CO 0.36 0.05 -0.26 0.77 0.02 0.00 0.00 177.57 178.51 2iei h SER 651 N 0.26 0.00 0.09 0.57 4.64 -1.97 -1.80 113.55 115.35 2iei h SER 651 Ca 0.30 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.40 2iei h SER 651 Cb 0.43 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2iei h SER 651 CO -0.38 0.26 -0.93 0.25 -0.87 0.00 0.00 176.83 175.16 2iei h LEU 652 N 0.00 0.65 -0.67 5.97 5.85 -1.57 -3.07 115.31 122.47 2iei h LEU 652 Ca -0.00 -0.85 0.13 0.00 0.84 0.00 0.00 57.88 58.00 2iei h LEU 652 Cb 0.61 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 2iei h LEU 652 CO 0.03 1.43 0.18 0.00 -0.34 0.00 0.00 178.44 179.75 2iei h ALA 653 N 0.23 0.85 -0.44 1.25 0.00 -0.73 0.65 119.26 121.08 2iei h ALA 653 Ca -0.14 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2iei h ALA 653 Cb 1.66 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 2iei h ALA 653 CO 0.18 -0.29 0.29 0.93 0.00 0.00 0.00 179.25 180.36 2iei h GLU 654 N 0.31 0.35 0.08 0.00 5.08 -1.35 -1.84 114.58 117.21 2iei h GLU 654 Ca 0.36 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 2iei h GLU 654 Cb 0.56 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2iei h GLU 654 CO -0.43 0.23 -0.49 0.87 -1.00 0.00 0.00 179.01 178.19 2iei h LYS 655 N 0.37 0.17 0.11 2.33 1.57 -1.02 -3.40 116.57 116.69 2iei h LYS 655 Ca 0.19 -0.29 -0.30 0.00 -1.87 0.00 0.00 60.65 58.38 2iei h LYS 655 Cb 0.29 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2iei h LYS 655 CO -0.04 1.14 -1.49 -0.24 -0.57 0.00 0.00 179.45 178.25 2iei h VAL 656 N -0.64 1.20 -0.50 0.50 3.04 -0.79 -3.36 116.25 115.70 2iei h VAL 656 Ca -0.09 -2.84 -0.04 0.00 -1.01 0.00 0.00 66.70 62.72 2iei h VAL 656 Cb 1.38 2.77 -0.02 0.00 -2.01 0.00 0.00 31.29 33.40 2iei h VAL 656 CO 0.08 0.82 0.17 0.40 -1.01 0.00 0.00 177.57 178.03 2iei h ILE 657 N 0.06 1.23 -0.00 3.17 2.04 -1.57 -1.45 117.51 120.99 2iei h ILE 657 Ca -0.23 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2iei h ILE 657 Cb 2.00 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2iei h ILE 657 CO 0.16 0.28 0.01 -0.65 0.00 0.00 0.00 178.15 177.95 2iei h PRO 658 N 0.68 0.00 -0.01 2.37 0.11 -1.78 -2.73 132.00 130.64 2iei h PRO 658 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2iei h PRO 658 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2iei h PRO 658 CO -0.01 0.00 -0.44 0.00 -0.21 0.00 0.00 178.00 177.34 2iei n ALA 659 N -2.12 3.48 -1.77 -0.75 0.00 -0.61 -4.71 120.51 114.02 2iei n ALA 659 Ca -0.03 -0.57 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 2iei n ALA 659 Cb 0.08 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 2iei n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2iei s ALA 660 N -2.51 3.27 -0.25 0.00 0.00 -0.81 -4.66 121.76 116.80 2iei s ALA 660 Ca 0.20 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2iei s ALA 660 Cb 0.18 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.85 2iei s ALA 660 CO 0.57 -0.16 -0.17 -0.25 0.00 0.00 0.00 175.76 175.75 2iei n ASP 661 N 0.67 1.97 -4.26 0.00 8.00 -0.52 -4.18 116.55 118.23 2iei n ASP 661 Ca 0.01 0.21 -0.33 0.00 0.71 0.00 0.00 54.79 55.39 2iei n ASP 661 Cb 0.47 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 2iei n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2iei s LEU 662 N -7.25 2.38 -0.29 0.64 2.96 -0.83 -0.66 118.68 115.65 2iei s LEU 662 Ca -0.35 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 52.94 2iei s LEU 662 Cb 0.11 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 2iei s LEU 662 CO 0.56 0.11 0.29 -0.55 -1.32 0.00 0.00 176.35 175.44 2iei s SER 663 N 0.67 6.14 -0.32 3.68 0.15 0.53 -1.21 113.70 123.34 2iei s SER 663 Ca -0.09 0.08 -0.21 0.00 0.70 0.00 0.00 55.95 56.43 2iei s SER 663 Cb -0.16 -2.17 -0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2iei s SER 663 CO 0.02 -0.15 0.68 -1.61 1.20 0.00 0.00 173.24 173.38 2iei s GLU 664 N 1.92 3.87 -0.44 5.44 0.41 -0.46 -1.73 118.70 127.71 2iei s GLU 664 Ca 0.11 0.33 0.06 0.00 -0.41 0.00 0.00 54.97 55.07 2iei s GLU 664 Cb -0.16 -3.75 0.22 0.00 -1.78 0.00 0.00 34.13 28.67 2iei s GLU 664 CO 0.11 -0.65 0.49 1.04 -0.49 0.00 0.00 175.26 175.76 2iei n GLN 665 N 6.03 0.82 -0.68 1.61 1.13 -0.76 -4.76 117.38 120.78 2iei n GLN 665 Ca 0.00 -3.44 0.01 0.00 -1.94 0.00 0.00 57.00 51.63 2iei n GLN 665 Cb 0.49 -1.52 0.20 0.00 0.11 0.00 0.00 30.24 29.52 2iei n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2iei n ILE 666 N 1.79 2.38 -1.45 5.09 -5.35 -1.26 -2.70 119.36 117.87 2iei n ILE 666 Ca 0.25 -2.85 -0.37 0.00 -0.27 0.00 0.00 62.75 59.50 2iei n ILE 666 Cb 0.49 -0.28 0.06 0.00 -1.74 0.00 0.00 39.64 38.17 2iei n ILE 666 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2iei n SER 667 N -1.11 -0.12 -4.71 7.28 3.41 -1.26 -4.66 113.62 112.46 2iei n SER 667 Ca 0.27 0.71 -0.42 0.00 -0.26 0.00 0.00 58.87 59.16 2iei n SER 667 Cb 0.89 -1.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 2iei n SER 667 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2iei s THR 668 N -1.72 4.45 0.01 6.66 -1.32 -1.18 -4.62 115.64 117.93 2iei s THR 668 Ca 0.72 1.80 -0.37 0.00 -1.21 0.00 0.00 61.69 62.62 2iei s THR 668 Cb -0.39 -4.15 -0.16 0.00 -1.51 0.00 0.00 72.50 66.29 2iei s THR 668 CO 0.51 0.16 1.47 0.00 -2.21 0.00 0.00 174.62 174.55 2iei n ALA 669 N 3.71 -0.52 -0.01 11.08 0.00 -1.26 -1.46 120.51 132.05 2iei n ALA 669 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2iei n ALA 669 Cb 0.49 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2iei n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iei n GLY 670 N 3.02 0.43 0.21 0.00 0.00 -1.26 -4.69 105.19 102.89 2iei n GLY 670 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 2iei n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iei n THR 671 N -2.00 1.08 -2.81 2.61 -2.24 -0.54 -4.88 114.28 105.50 2iei n THR 671 Ca 0.00 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 2iei n THR 671 Cb 0.00 -1.41 -0.04 0.00 -2.10 0.00 0.00 70.33 66.78 2iei n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2iei s GLU 672 N -2.37 3.51 0.18 -0.78 2.56 -1.26 -4.76 118.70 115.78 2iei s GLU 672 Ca -0.26 0.11 -0.14 0.00 0.00 0.00 0.00 54.97 54.68 2iei s GLU 672 Cb 0.08 -3.95 0.15 0.00 2.00 0.00 0.00 34.13 32.41 2iei s GLU 672 CO 0.40 -1.28 1.74 0.00 -0.56 0.00 0.00 175.26 175.56 2iei h ALA 673 N 9.14 0.55 0.00 6.30 0.00 -1.90 -2.94 119.26 130.40 2iei h ALA 673 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2iei h ALA 673 Cb 1.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2iei h ALA 673 CO 1.04 -0.25 0.00 0.45 0.00 0.00 0.00 179.25 180.50 2iei n SER 674 N -5.03 -0.17 0.00 0.00 2.88 -1.26 -3.97 113.62 106.07 2iei n SER 674 Ca 0.04 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2iei n SER 674 Cb 0.19 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2iei n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2iei n GLY 675 N 1.49 -1.60 0.00 0.46 0.00 -1.26 -0.08 105.19 104.20 2iei n GLY 675 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2iei n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iei n THR 676 N -0.46 0.00 -0.25 2.61 -2.24 -1.26 -4.73 114.28 107.95 2iei n THR 676 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2iei n THR 676 Cb 0.00 -0.30 0.42 0.00 -2.10 0.00 0.00 70.33 68.34 2iei n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2iei h GLY 677 N 0.00 1.08 0.95 3.38 0.00 -1.95 -2.03 103.07 104.50 2iei h GLY 677 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.08 2iei h GLY 677 CO 0.00 0.07 0.38 3.45 0.00 0.00 0.00 176.54 180.44 2iei h ASN 678 N 0.61 0.64 -0.45 0.19 7.08 -1.95 -2.32 115.58 119.39 2iei h ASN 678 Ca 0.44 -0.01 -0.05 0.00 -3.08 0.00 0.00 56.30 53.60 2iei h ASN 678 Cb 0.79 -0.15 -0.02 0.00 -2.08 0.00 0.00 38.32 36.86 2iei h ASN 678 CO -0.19 0.46 0.13 0.24 -2.08 0.00 0.00 177.43 175.99 2iei h MET 679 N 0.77 0.77 -0.35 4.14 2.86 -1.69 -2.42 114.93 119.01 2iei h MET 679 Ca 0.22 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2iei h MET 679 Cb -0.05 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2iei h MET 679 CO -0.07 0.70 0.18 0.87 1.06 0.00 0.00 176.91 179.65 2iei h LYS 680 N 0.75 0.50 -0.61 1.72 1.57 -1.22 -2.01 116.57 117.26 2iei h LYS 680 Ca 0.17 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2iei h LYS 680 Cb 0.27 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2iei h LYS 680 CO -0.00 0.43 0.38 0.74 -0.57 0.00 0.00 179.45 180.43 2iei h PHE 681 N 0.43 0.79 -0.72 -1.35 0.04 -1.18 -2.25 116.94 112.71 2iei h PHE 681 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2iei h PHE 681 Cb 0.09 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 2iei h PHE 681 CO -0.02 0.53 0.46 1.98 -0.60 0.00 0.00 178.31 180.66 2iei h MET 682 N 0.83 0.95 0.00 1.51 4.05 -1.30 -1.01 114.93 119.96 2iei h MET 682 Ca 0.22 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 2iei h MET 682 Cb -0.04 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 2iei h MET 682 CO -0.04 0.65 -0.28 1.25 0.23 0.00 0.00 176.91 178.71 2iei h LEU 683 N 0.97 0.00 -2.82 3.39 5.85 -1.16 -3.23 115.31 118.32 2iei h LEU 683 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2iei h LEU 683 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2iei h LEU 683 CO -0.05 0.28 0.00 0.59 -0.34 0.00 0.00 178.44 178.92 2iei n ASN 684 N -3.48 4.02 0.00 1.25 3.02 -0.87 -4.95 115.26 114.25 2iei n ASN 684 Ca -0.00 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 2iei n ASN 684 Cb 0.45 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2iei n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2iei n GLY 685 N 1.49 1.14 3.84 7.41 0.00 -1.01 -4.71 105.19 113.35 2iei n GLY 685 Ca 0.24 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2iei n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iei s ALA 686 N -2.00 3.77 0.40 4.61 0.00 -0.42 -4.81 121.76 123.31 2iei s ALA 686 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 2iei s ALA 686 Cb 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.32 2iei s ALA 686 CO 0.00 0.72 0.82 -0.51 0.00 0.00 0.00 175.76 176.79 2iei s LEU 687 N -1.87 3.87 -0.20 0.00 1.02 0.17 -4.30 118.68 117.38 2iei s LEU 687 Ca 0.25 1.31 -0.03 0.00 0.02 0.00 0.00 54.13 55.68 2iei s LEU 687 Cb -0.12 -4.17 -0.01 0.00 0.02 0.00 0.00 46.19 41.91 2iei s LEU 687 CO 0.17 -0.37 -0.07 -0.89 0.02 0.00 0.00 176.35 175.21 2iei s THR 688 N -2.28 3.25 -0.29 5.49 2.01 -1.26 -0.35 115.64 122.21 2iei s THR 688 Ca 0.54 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2iei s THR 688 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 2iei s THR 688 CO 0.25 0.46 0.27 -0.51 -0.69 0.00 0.00 174.62 174.40 2iei s ILE 689 N 1.17 5.25 0.21 1.82 2.07 -0.70 -1.41 121.20 129.61 2iei s ILE 689 Ca 0.02 0.22 -0.21 0.00 -1.41 0.00 0.00 60.65 59.26 2iei s ILE 689 Cb -0.14 -3.64 0.04 0.00 0.13 0.00 0.00 42.46 38.85 2iei s ILE 689 CO -0.02 0.15 0.64 -0.83 -1.91 0.00 0.00 174.94 172.96 2iei s GLY 690 N 1.72 -0.32 0.64 1.50 0.00 -0.84 -1.82 107.32 108.20 2iei s GLY 690 Ca 0.10 0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 2iei s GLY 690 CO 0.11 -0.01 0.94 -0.51 0.00 0.00 0.00 173.10 173.63 2iei s THR 691 N -3.84 2.80 -1.33 0.90 -4.23 -1.10 -1.52 115.64 107.33 2iei s THR 691 Ca 0.06 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.19 2iei s THR 691 Cb -0.03 -3.15 0.10 0.00 1.34 0.00 0.00 72.50 70.76 2iei s THR 691 CO -0.03 -0.15 1.86 0.80 -0.54 0.00 0.00 174.62 176.55 2iei n MET 692 N -2.72 3.22 -4.01 3.99 1.56 -1.26 -4.65 117.12 113.25 2iei n MET 692 Ca 0.07 -3.24 -0.13 0.00 -0.27 0.00 0.00 57.70 54.13 2iei n MET 692 Cb 0.59 -3.22 -0.13 0.00 2.15 0.00 0.00 33.22 32.61 2iei n MET 692 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2iei s ASP 693 N 2.90 0.37 1.21 6.12 2.15 -1.26 -4.64 116.67 123.51 2iei s ASP 693 Ca 0.47 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.26 2iei s ASP 693 Cb 0.07 -0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.69 2iei s ASP 693 CO -0.00 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 2iei n GLY 694 N 2.57 3.05 0.07 2.66 0.00 -1.11 -1.92 105.19 110.52 2iei n GLY 694 Ca -0.16 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2iei n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iei n ALA 695 N 9.70 2.15 -0.33 4.61 0.00 0.89 -3.06 120.51 134.47 2iei n ALA 695 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2iei n ALA 695 Cb 0.00 -1.44 0.35 0.00 0.00 0.00 0.00 19.45 18.36 2iei n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2iei h ASN 696 N 0.00 0.73 -0.21 0.00 4.21 -1.56 0.05 115.58 118.81 2iei h ASN 696 Ca 0.00 0.08 0.05 0.00 1.21 0.00 0.00 56.30 57.63 2iei h ASN 696 Cb 0.58 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 2iei h ASN 696 CO 0.00 0.29 -0.08 0.58 -1.29 0.00 0.00 177.43 176.94 2iei h VAL 697 N 0.73 0.73 -0.03 2.81 2.07 -1.63 -0.72 116.25 120.21 2iei h VAL 697 Ca 0.54 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.88 2iei h VAL 697 Cb 0.88 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2iei h VAL 697 CO -0.31 0.00 -0.76 -0.33 0.02 0.00 0.00 177.57 176.18 2iei h GLU 698 N -0.04 0.23 -0.38 1.57 5.08 -1.45 -2.10 114.58 117.49 2iei h GLU 698 Ca 0.11 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2iei h GLU 698 Cb 0.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2iei h GLU 698 CO -0.24 0.88 0.24 0.52 -1.00 0.00 0.00 179.01 179.42 2iei h MET 699 N 0.15 0.50 -0.12 2.33 2.86 -0.87 0.83 114.93 120.61 2iei h MET 699 Ca -0.03 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2iei h MET 699 Cb 1.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2iei h MET 699 CO 0.12 0.35 -0.05 0.00 1.06 0.00 0.00 176.91 178.39 2iei h ALA 700 N 1.12 1.70 -0.02 6.32 0.00 -1.01 -1.75 119.26 125.63 2iei h ALA 700 Ca 0.14 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 2iei h ALA 700 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2iei h ALA 700 CO -0.03 0.23 -0.91 1.49 0.00 0.00 0.00 179.25 180.02 2iei h GLU 701 N 0.17 0.48 -0.14 0.00 4.81 -0.69 -0.92 114.58 118.28 2iei h GLU 701 Ca 0.04 -0.49 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 2iei h GLU 701 Cb 0.20 0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.72 2iei h GLU 701 CO 0.01 1.13 -0.64 0.93 -0.73 0.00 0.00 179.01 179.71 2iei h GLU 702 N 0.28 0.68 0.00 1.92 4.39 -0.48 -3.28 114.58 118.09 2iei h GLU 702 Ca -0.08 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.08 2iei h GLU 702 Cb 1.54 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 2iei h GLU 702 CO 0.16 1.16 -0.47 0.00 -1.16 0.00 0.00 179.01 178.70 2iei h ALA 703 N 0.53 0.71 0.00 3.43 0.00 -1.42 -3.47 119.26 119.03 2iei h ALA 703 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2iei h ALA 703 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2iei h ALA 703 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2iei n GLY 704 N 1.28 -1.82 0.12 0.00 0.00 -0.38 -4.52 105.19 99.87 2iei n GLY 704 Ca 0.03 -1.18 0.09 0.00 0.00 0.00 0.00 46.02 44.96 2iei n GLY 704 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2iei n GLU 705 N 0.07 0.11 0.00 1.61 1.02 -1.05 -1.80 120.64 120.59 2iei n GLU 705 Ca 0.00 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 2iei n GLU 705 Cb 0.00 -1.83 0.52 0.00 -0.02 0.00 0.00 31.44 30.11 2iei n GLU 705 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2iei n GLU 706 N -2.06 0.00 -0.21 3.49 4.71 -1.26 -3.27 120.64 122.04 2iei n GLU 706 Ca -0.00 -0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.21 2iei n GLU 706 Cb 0.06 -1.50 0.18 0.00 -1.01 0.00 0.00 31.44 29.17 2iei n GLU 706 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2iei n ASN 707 N -1.50 3.08 -4.13 1.62 3.02 -0.75 -4.96 115.26 111.64 2iei n ASN 707 Ca 0.07 -2.01 -0.23 0.00 -0.03 0.00 0.00 54.58 52.37 2iei n ASN 707 Cb 0.34 -0.27 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 2iei n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2iei s PHE 708 N -1.02 1.39 -1.22 3.10 0.40 -1.20 -4.78 117.98 114.66 2iei s PHE 708 Ca 0.27 -0.28 -0.07 0.00 -0.60 0.00 0.00 56.93 56.25 2iei s PHE 708 Cb 0.14 -0.90 0.21 0.00 0.51 0.00 0.00 43.02 42.97 2iei s PHE 708 CO 0.18 -0.04 1.87 1.19 0.70 0.00 0.00 175.22 179.12 2iei n PHE 709 N 2.76 2.66 -2.53 0.36 3.72 -0.50 -4.94 117.46 118.99 2iei n PHE 709 Ca -0.15 -2.71 -0.39 0.00 -0.05 0.00 0.00 57.45 54.15 2iei n PHE 709 Cb 0.54 -1.68 -0.04 0.00 -0.94 0.00 0.00 39.48 37.36 2iei n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2iei s ILE 710 N -1.13 3.63 0.23 4.37 1.01 -1.26 -1.99 121.20 126.06 2iei s ILE 710 Ca 0.40 1.48 -0.15 0.00 0.00 0.00 0.00 60.65 62.37 2iei s ILE 710 Cb 0.11 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2iei s ILE 710 CO 0.00 0.23 0.51 0.72 0.00 0.00 0.00 174.94 176.40 2iei s PHE 711 N -1.37 0.12 0.00 3.97 -0.12 -0.57 -4.92 117.98 115.09 2iei s PHE 711 Ca 0.50 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 2iei s PHE 711 Cb -0.27 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.43 2iei s PHE 711 CO 0.35 -0.98 0.00 0.41 -0.05 0.00 0.00 175.22 174.95 2iei n GLY 712 N -0.36 -2.29 3.77 1.99 0.00 -1.26 -4.21 105.19 102.83 2iei n GLY 712 Ca -0.05 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 2iei n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iei s MET 713 N -0.55 3.91 0.69 1.61 -1.94 -1.26 -4.89 119.30 116.87 2iei s MET 713 Ca 0.00 2.40 -0.04 0.00 -1.71 0.00 0.00 55.69 56.34 2iei s MET 713 Cb 0.00 -2.79 0.08 0.00 2.01 0.00 0.00 34.83 34.13 2iei s MET 713 CO 0.00 -0.63 0.97 1.03 -0.01 0.00 0.00 175.02 176.38 2iei s ARG 714 N -2.26 2.04 0.23 2.03 1.81 -1.26 -4.47 118.95 117.07 2iei s ARG 714 Ca 0.57 -0.61 -0.06 0.00 -1.72 0.00 0.00 55.73 53.90 2iei s ARG 714 Cb -0.43 -2.27 0.33 0.00 -0.45 0.00 0.00 34.95 32.13 2iei s ARG 714 CO 0.57 -1.24 1.81 0.28 -0.68 0.00 0.00 175.30 176.04 2iei h VAL 715 N -0.49 0.95 -0.61 3.52 2.07 -1.84 -2.04 116.25 117.82 2iei h VAL 715 Ca -0.42 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 66.91 2iei h VAL 715 Cb 1.29 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2iei h VAL 715 CO 0.52 0.14 0.28 -0.33 0.02 0.00 0.00 177.57 178.20 2iei h GLU 716 N 0.78 0.49 0.00 1.57 3.07 -1.95 -1.83 114.58 116.71 2iei h GLU 716 Ca 0.36 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 2iei h GLU 716 Cb 0.27 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2iei h GLU 716 CO -0.21 0.32 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.03 2iei h ASP 717 N 0.51 0.00 -0.15 1.42 3.32 -1.76 -1.12 116.42 118.64 2iei h ASP 717 Ca 0.29 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 2iei h ASP 717 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2iei h ASP 717 CO -0.25 0.25 -0.09 0.58 -1.72 0.00 0.00 179.24 178.02 2iei h VAL 718 N 0.00 1.32 -0.54 -1.35 2.07 -0.96 -2.69 116.25 114.10 2iei h VAL 718 Ca -0.00 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.39 2iei h VAL 718 Cb 0.46 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2iei h VAL 718 CO 0.03 0.34 0.32 0.44 0.02 0.00 0.00 177.57 178.72 2iei h ASP 719 N -0.02 0.50 -0.91 0.57 3.32 -1.12 -0.19 116.42 118.57 2iei h ASP 719 Ca 0.03 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.23 2iei h ASP 719 Cb 0.57 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.93 2iei h ASP 719 CO 0.02 0.35 0.52 0.03 -1.72 0.00 0.00 179.24 178.45 2iei h ARG 720 N 0.62 0.74 -0.14 3.56 3.08 -1.18 0.11 114.38 121.17 2iei h ARG 720 Ca 0.22 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 60.02 2iei h ARG 720 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2iei h ARG 720 CO -0.10 0.49 -0.73 -0.07 -1.07 0.00 0.00 179.97 178.48 2iei h LEU 721 N 0.76 0.79 -0.47 3.04 3.38 -1.10 -3.05 115.31 118.66 2iei h LEU 721 Ca 0.49 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2iei h LEU 721 Cb 0.63 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2iei h LEU 721 CO -0.33 1.28 0.12 0.44 0.09 0.00 0.00 178.44 180.05 2iei h ASP 722 N 0.47 0.70 0.18 -0.43 3.32 -0.08 0.39 116.42 120.98 2iei h ASP 722 Ca -0.04 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2iei h ASP 722 Cb 1.34 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2iei h ASP 722 CO 0.14 0.75 -0.31 1.56 -1.72 0.00 0.00 179.24 179.66 2iei h GLN 723 N 0.63 0.20 0.00 3.56 4.20 -0.91 -2.98 115.11 119.81 2iei h GLN 723 Ca 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2iei h GLN 723 Cb 0.31 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2iei h GLN 723 CO -0.00 0.49 -1.35 -2.13 -0.67 0.00 0.00 178.83 175.17 2iei n ARG 724 N -4.12 0.62 -0.00 1.46 0.63 -1.15 -5.08 116.66 109.02 2iei n ARG 724 Ca -0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2iei n ARG 724 Cb 0.39 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2iei n ARG 724 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2iei n GLY 725 N 1.22 0.25 3.53 5.14 0.00 0.14 -5.00 105.19 110.46 2iei n GLY 725 Ca -0.02 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2iei n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2iei s TYR 726 N -0.28 3.11 -0.38 1.61 5.04 -1.18 -4.83 117.35 120.43 2iei s TYR 726 Ca 0.00 -0.01 -0.07 0.00 -2.44 0.00 0.00 57.07 54.55 2iei s TYR 726 Cb 0.00 -3.19 0.07 0.00 0.35 0.00 0.00 41.96 39.19 2iei s TYR 726 CO 0.00 -0.76 0.19 1.21 -1.34 0.00 0.00 175.55 174.85 2iei s ASN 727 N 1.91 5.46 0.12 4.32 3.84 -1.26 -4.94 114.94 124.38 2iei s ASN 727 Ca 0.21 -1.42 0.27 0.00 0.21 0.00 0.00 52.86 52.13 2iei s ASN 727 Cb -0.15 -1.92 1.00 0.00 -0.55 0.00 0.00 41.25 39.63 2iei s ASN 727 CO 0.17 -0.45 1.84 0.00 -2.79 0.00 0.00 177.10 175.87 2iei n ALA 728 N 4.83 2.31 0.14 1.71 0.00 -1.26 -3.10 120.51 125.14 2iei n ALA 728 Ca -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 2iei n ALA 728 Cb 0.43 -1.47 0.22 0.00 0.00 0.00 0.00 19.45 18.63 2iei n ALA 728 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2iei h GLN 729 N 0.00 0.02 -0.56 0.00 -0.00 -1.92 -2.55 115.11 110.11 2iei h GLN 729 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.70 2iei h GLN 729 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.06 2iei h GLN 729 CO 0.00 0.56 0.26 0.93 0.00 0.00 0.00 178.83 180.58 2iei h GLU 730 N 0.02 0.48 -0.24 1.69 5.08 -1.95 -1.01 114.58 118.64 2iei h GLU 730 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2iei h GLU 730 Cb 0.97 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2iei h GLU 730 CO 0.07 0.32 -0.01 1.88 -1.00 0.00 0.00 179.01 180.27 2iei h TYR 731 N 0.49 0.47 -0.30 4.33 0.05 -1.69 -2.72 116.97 117.61 2iei h TYR 731 Ca 0.26 -0.08 0.06 0.00 0.05 0.00 0.00 58.73 59.01 2iei h TYR 731 Cb 0.21 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 37.75 2iei h TYR 731 CO -0.12 0.61 -0.46 -0.92 -1.05 0.00 0.00 178.16 176.22 2iei h TYR 732 N 0.19 -1.34 0.00 4.88 5.03 -1.26 -1.07 116.97 123.41 2iei h TYR 732 Ca 0.07 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2iei h TYR 732 Cb 0.43 0.63 0.00 0.00 1.55 0.00 0.00 36.73 39.33 2iei h TYR 732 CO 0.04 -0.47 0.00 -0.25 -1.32 0.00 0.00 178.16 176.16 2iei n ASP 733 N -5.42 0.33 -0.01 -2.11 8.00 -0.40 -3.13 116.55 113.80 2iei n ASP 733 Ca -0.03 0.60 0.03 0.00 0.71 0.00 0.00 54.79 56.11 2iei n ASP 733 Cb 0.36 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 2iei n ASP 733 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2iei n ARG 734 N -1.89 0.68 -4.00 -1.24 0.63 -0.87 -4.91 116.66 105.06 2iei n ARG 734 Ca 0.02 -0.08 -0.31 0.00 -0.92 0.00 0.00 57.85 56.56 2iei n ARG 734 Cb 0.14 -1.24 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 2iei n ARG 734 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2iei s ILE 735 N -2.61 2.28 0.29 5.15 1.01 -0.46 -5.01 121.20 121.85 2iei s ILE 735 Ca -0.04 -2.44 0.00 0.00 0.00 0.00 0.00 60.65 58.17 2iei s ILE 735 Cb 0.06 -2.68 0.28 0.00 0.01 0.00 0.00 42.46 40.13 2iei s ILE 735 CO 0.41 -0.63 1.88 -0.65 0.00 0.00 0.00 174.94 175.95 2iei h PRO 736 N 7.49 1.02 -0.29 2.79 0.11 -1.89 -1.08 132.00 140.15 2iei h PRO 736 Ca -0.05 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 2iei h PRO 736 Cb 1.00 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2iei h PRO 736 CO 0.54 0.67 -0.33 0.93 -0.21 0.00 0.00 178.00 179.60 2iei h GLU 737 N 1.05 0.62 -0.51 1.05 5.08 -1.95 -1.81 114.58 118.10 2iei h GLU 737 Ca 0.44 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2iei h GLU 737 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2iei h GLU 737 CO -0.20 0.87 -0.14 1.25 -1.00 0.00 0.00 179.01 179.79 2iei h LEU 738 N 0.52 1.01 -0.65 1.33 6.46 -1.78 -3.03 115.31 119.17 2iei h LEU 738 Ca 0.06 -0.37 0.02 0.00 -0.12 0.00 0.00 57.88 57.47 2iei h LEU 738 Cb 0.83 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 2iei h LEU 738 CO 0.07 1.14 0.42 -0.09 -0.62 0.00 0.00 178.44 179.36 2iei h ARG 739 N 0.86 0.82 -0.77 1.25 2.43 -1.00 -2.75 114.38 115.22 2iei h ARG 739 Ca 0.13 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2iei h ARG 739 Cb 0.71 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 2iei h ARG 739 CO 0.05 0.54 0.50 0.37 -1.51 0.00 0.00 179.97 179.93 2iei h GLN 740 N 0.84 1.01 -0.32 0.20 4.15 -1.25 -2.49 115.11 117.25 2iei h GLN 740 Ca 0.25 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 2iei h GLN 740 Cb -0.04 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.41 2iei h GLN 740 CO -0.08 0.68 -0.19 0.82 -1.93 0.00 0.00 178.83 178.13 2iei h ILE 741 N 1.04 1.29 -0.09 2.39 2.04 -1.40 -1.43 117.51 121.36 2iei h ILE 741 Ca 0.28 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 2iei h ILE 741 Cb -0.11 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2iei h ILE 741 CO -0.06 0.43 -0.32 0.40 0.00 0.00 0.00 178.15 178.59 2iei h ILE 742 N 0.46 1.26 -0.12 -0.67 2.04 -1.41 0.16 117.51 119.23 2iei h ILE 742 Ca 0.07 -1.25 -0.21 0.00 1.00 0.00 0.00 64.86 64.46 2iei h ILE 742 Cb 0.73 1.56 0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2iei h ILE 742 CO 0.05 0.37 -0.78 -0.33 0.00 0.00 0.00 178.15 177.46 2iei h GLU 743 N 0.15 0.65 0.28 2.37 5.08 -1.40 -0.48 114.58 121.23 2iei h GLU 743 Ca 0.02 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2iei h GLU 743 Cb 0.65 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2iei h GLU 743 CO 0.05 1.16 -0.25 1.96 -1.00 0.00 0.00 179.01 180.93 2iei h GLN 744 N 0.44 -0.53 -0.14 2.33 4.20 -0.69 0.76 115.11 121.48 2iei h GLN 744 Ca -0.05 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2iei h GLN 744 Cb 1.40 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 29.25 2iei h GLN 744 CO 0.15 -0.35 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.72 2iei h LEU 745 N -0.55 -0.52 -0.23 1.46 3.38 -0.72 -0.75 115.31 117.38 2iei h LEU 745 Ca -0.01 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2iei h LEU 745 Cb 0.50 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2iei h LEU 745 CO -0.04 -0.22 -0.23 -1.28 0.09 0.00 0.00 178.44 176.76 2iei h SER 746 N -0.21 0.60 0.74 -0.43 0.87 -1.04 -3.27 113.55 110.81 2iei h SER 746 Ca 0.10 -0.48 -0.08 0.00 -1.23 0.00 0.00 61.79 60.10 2iei h SER 746 Cb 0.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2iei h SER 746 CO -0.26 0.96 -0.39 0.77 -0.53 0.00 0.00 176.83 177.37 2iei h SER 747 N 0.26 0.00 0.00 6.23 4.64 -0.86 -3.45 113.55 120.37 2iei h SER 747 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2iei h SER 747 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2iei h SER 747 CO 0.06 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2iei n GLY 748 N 0.11 1.55 0.36 -0.77 0.00 -1.04 -4.81 105.19 100.59 2iei n GLY 748 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2iei n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2iei h PHE 749 N 0.00 0.47 -0.63 1.61 3.57 -1.40 -1.09 116.94 119.48 2iei h PHE 749 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2iei h PHE 749 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2iei h PHE 749 CO 0.00 0.21 0.00 1.19 -2.23 0.00 0.00 178.31 177.48 2iei n PHE 750 N -4.47 1.13 -2.82 0.41 3.72 -1.26 -4.56 117.46 109.62 2iei n PHE 750 Ca 0.11 -0.57 -0.11 0.00 -0.05 0.00 0.00 57.45 56.84 2iei n PHE 750 Cb 0.41 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.87 2iei n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2iei n SER 751 N 1.17 -2.08 -0.37 4.37 3.41 -0.45 -4.74 113.62 114.93 2iei n SER 751 Ca 0.23 -3.40 -0.02 0.00 -0.26 0.00 0.00 58.87 55.42 2iei n SER 751 Cb 0.73 1.45 0.10 0.00 -0.26 0.00 0.00 64.21 66.23 2iei n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2iei h PRO 752 N 3.50 1.29 0.00 4.33 0.11 -1.71 -1.45 132.00 138.06 2iei h PRO 752 Ca -0.09 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 2iei h PRO 752 Cb 1.04 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2iei h PRO 752 CO 0.27 0.85 -0.22 0.87 -0.21 0.00 0.00 178.00 179.56 2iei h LYS 753 N 1.32 0.00 -2.47 1.05 1.57 -1.96 -3.36 116.57 112.72 2iei h LYS 753 Ca 0.36 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.55 2iei h LYS 753 Cb -0.15 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 31.77 2iei h LYS 753 CO -0.08 0.22 -0.92 1.14 -0.57 0.00 0.00 179.45 179.25 2iei s GLN 754 N -3.73 0.76 0.31 3.15 -2.07 -0.59 -5.01 119.66 112.48 2iei s GLN 754 Ca -0.00 -1.78 0.22 0.00 -1.82 0.00 0.00 55.36 51.98 2iei s GLN 754 Cb 0.11 -1.39 1.13 0.00 -1.09 0.00 0.00 33.01 31.77 2iei s GLN 754 CO 0.63 -1.31 1.67 -2.30 -1.32 0.00 0.00 175.29 172.66 2iei n PRO 755 N 3.36 0.15 0.13 9.60 -0.02 -0.97 -1.56 135.00 145.69 2iei n PRO 755 Ca 0.22 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 2iei n PRO 755 Cb 0.43 -1.94 0.19 0.00 -0.02 0.00 0.00 33.50 32.15 2iei n PRO 755 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2iei h ASP 756 N 0.00 0.00 -0.64 2.55 -0.00 -1.86 -3.34 116.42 113.13 2iei h ASP 756 Ca 0.00 -0.05 0.12 0.00 -0.00 0.00 0.00 57.03 57.10 2iei h ASP 756 Cb 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 39.33 39.28 2iei h ASP 756 CO 0.00 0.03 -0.21 0.25 -0.00 0.00 0.00 179.24 179.31 2iei h LEU 757 N 0.00 -0.75 -3.92 2.28 5.85 -1.61 -2.35 115.31 114.81 2iei h LEU 757 Ca 0.00 0.20 -0.51 0.00 0.84 0.00 0.00 57.88 58.42 2iei h LEU 757 Cb 0.88 0.45 -0.30 0.00 0.37 0.00 0.00 40.66 42.06 2iei h LEU 757 CO 0.00 -0.24 0.65 0.49 -0.34 0.00 0.00 178.44 178.99 2iei n PHE 758 N -5.45 2.96 -0.01 1.25 3.72 -1.26 -4.56 117.46 114.12 2iei n PHE 758 Ca 0.07 -1.86 -0.03 0.00 -0.05 0.00 0.00 57.45 55.58 2iei n PHE 758 Cb 0.35 -0.95 0.21 0.00 -0.94 0.00 0.00 39.48 38.14 2iei n PHE 758 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2iei h LYS 759 N 1.02 0.54 -0.21 -1.08 2.10 -1.74 -2.41 116.57 114.80 2iei h LYS 759 Ca 0.61 -0.18 -0.14 0.00 -2.00 0.00 0.00 60.65 58.94 2iei h LYS 759 Cb 2.68 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.96 2iei h LYS 759 CO 1.09 0.70 -0.47 -0.44 -2.00 0.00 0.00 179.45 178.33 2iei h ASP 760 N 0.49 0.58 -0.22 7.07 3.32 -1.85 -1.05 116.42 124.76 2iei h ASP 760 Ca 0.08 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2iei h ASP 760 Cb 0.59 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2iei h ASP 760 CO 0.04 0.96 0.05 0.40 -1.72 0.00 0.00 179.24 178.97 2iei h ILE 761 N 0.43 1.21 0.25 0.35 2.04 -1.87 -1.59 117.51 118.33 2iei h ILE 761 Ca 0.02 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2iei h ILE 761 Cb 0.98 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2iei h ILE 761 CO 0.09 0.22 -0.12 0.58 0.00 0.00 0.00 178.15 178.92 2iei h VAL 762 N 0.18 0.78 -0.95 1.67 2.07 -1.33 -1.07 116.25 117.61 2iei h VAL 762 Ca 0.07 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2iei h VAL 762 Cb 0.29 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 2iei h VAL 762 CO 0.00 0.04 0.61 -1.13 0.02 0.00 0.00 177.57 177.12 2iei h ASN 763 N -0.43 0.94 -0.05 0.57 -1.24 -1.22 0.16 115.58 114.31 2iei h ASN 763 Ca -0.03 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 2iei h ASN 763 Cb 0.33 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 2iei h ASN 763 CO 0.06 0.58 -0.01 -0.03 -1.29 0.00 0.00 177.43 176.73 2iei h MET 764 N 1.05 0.10 -0.43 6.67 4.05 -1.13 -1.17 114.93 124.07 2iei h MET 764 Ca 0.43 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.79 2iei h MET 764 Cb 0.27 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2iei h MET 764 CO -0.18 0.43 0.18 -0.07 0.23 0.00 0.00 176.91 177.50 2iei h LEU 765 N -0.24 0.54 0.03 3.39 3.38 -0.67 0.11 115.31 121.86 2iei h LEU 765 Ca 0.01 -0.05 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 2iei h LEU 765 Cb 0.39 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2iei h LEU 765 CO 0.00 0.49 -1.18 0.24 0.09 0.00 0.00 178.44 178.08 2iei h MET 766 N 0.61 0.06 0.00 1.13 2.86 -0.95 -3.42 114.93 115.21 2iei h MET 766 Ca 0.15 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2iei h MET 766 Cb 0.11 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2iei h MET 766 CO -0.02 0.97 -0.09 0.72 1.06 0.00 0.00 176.91 179.55 2iei n HIS 767 N -3.34 0.00 -2.81 -0.22 8.25 -0.45 -4.26 115.22 112.39 2iei n HIS 767 Ca -0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2iei n HIS 767 Cb 0.98 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.15 2iei n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2iei n HIS 768 N -0.25 0.80 -3.01 4.41 8.25 0.28 -5.02 115.22 120.68 2iei n HIS 768 Ca 0.00 -2.07 -0.44 0.00 -0.26 0.00 0.00 57.72 54.96 2iei n HIS 768 Cb 0.00 0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 2iei n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2iei s ASP 769 N -3.43 6.21 0.00 0.41 -1.08 -0.51 -4.85 116.67 113.43 2iei s ASP 769 Ca 0.25 -1.01 0.13 0.00 -0.52 0.00 0.00 52.55 51.40 2iei s ASP 769 Cb 0.34 -2.35 0.61 0.00 -1.46 0.00 0.00 42.92 40.05 2iei s ASP 769 CO -0.05 -1.17 1.41 0.54 0.52 0.00 0.00 175.17 176.41 2iei n ARG 770 N 6.88 0.06 0.00 4.34 1.74 -1.26 -3.31 116.66 125.10 2iei n ARG 770 Ca -0.05 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2iei n ARG 770 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2iei n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2iei n PHE 771 N -1.44 0.00 -4.09 -1.55 3.72 -1.26 -5.02 117.46 107.82 2iei n PHE 771 Ca 0.04 -0.44 -0.28 0.00 -0.05 0.00 0.00 57.45 56.73 2iei n PHE 771 Cb 0.14 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2iei n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2iei n LYS 772 N -0.44 -2.51 -0.24 -1.08 5.02 -1.21 -4.80 118.16 112.90 2iei n LYS 772 Ca 0.00 0.30 0.03 0.00 -2.02 0.00 0.00 58.31 56.62 2iei n LYS 772 Cb 0.24 -4.26 0.15 0.00 -0.02 0.00 0.00 35.03 31.14 2iei n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2iei h VAL 773 N -1.79 0.77 -0.30 -0.18 2.07 -1.93 -2.21 116.25 112.69 2iei h VAL 773 Ca -0.64 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 2iei h VAL 773 Cb 1.38 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2iei h VAL 773 CO 0.66 0.10 -0.08 -0.26 0.02 0.00 0.00 177.57 178.01 2iei h PHE 774 N 0.53 0.51 0.00 1.57 -1.00 -1.89 -2.87 116.94 113.79 2iei h PHE 774 Ca 0.37 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 2iei h PHE 774 Cb 0.46 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 2iei h PHE 774 CO -0.13 0.56 -0.04 0.00 -1.61 0.00 0.00 178.31 177.09 2iei h ALA 775 N 1.47 1.17 -0.08 2.45 0.00 -1.77 -2.70 119.26 119.81 2iei h ALA 775 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2iei h ALA 775 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2iei h ALA 775 CO 0.02 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2iei n ASP 776 N -3.39 1.96 -0.08 0.00 8.00 -1.12 -4.72 116.55 117.20 2iei n ASP 776 Ca -0.02 -1.53 -0.08 0.00 0.71 0.00 0.00 54.79 53.87 2iei n ASP 776 Cb 0.17 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2iei n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2iei h TYR 777 N 1.51 0.27 -0.19 1.24 3.20 -1.26 -2.12 116.97 119.62 2iei h TYR 777 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2iei h TYR 777 Cb 0.43 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2iei h TYR 777 CO 0.05 0.15 0.07 0.93 -1.64 0.00 0.00 178.16 177.72 2iei h GLU 778 N 0.30 0.28 -0.58 1.82 5.08 -1.85 -2.37 114.58 117.27 2iei h GLU 778 Ca 0.12 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2iei h GLU 778 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2iei h GLU 778 CO -0.08 0.37 0.03 0.93 -1.00 0.00 0.00 179.01 179.27 2iei h GLU 779 N 0.14 0.97 0.03 2.33 5.08 -1.88 -2.54 114.58 118.70 2iei h GLU 779 Ca 0.06 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2iei h GLU 779 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2iei h GLU 779 CO -0.00 0.94 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.01 2iei h TYR 780 N 0.90 -0.03 -0.65 4.33 3.20 -1.28 -0.10 116.97 123.34 2iei h TYR 780 Ca 0.17 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 2iei h TYR 780 Cb 0.48 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2iei h TYR 780 CO 0.03 0.00 0.06 -0.39 -1.64 0.00 0.00 178.16 176.22 2iei h VAL 781 N -0.06 1.27 -0.58 1.81 -1.51 -1.39 -0.37 116.25 115.41 2iei h VAL 781 Ca -0.00 -1.10 -0.08 0.00 -1.23 0.00 0.00 66.70 64.29 2iei h VAL 781 Cb 0.05 0.70 -0.02 0.00 -2.13 0.00 0.00 31.29 29.89 2iei h VAL 781 CO 0.01 0.41 0.06 0.11 -1.23 0.00 0.00 177.57 176.92 2iei h LYS 782 N 1.02 0.96 0.00 5.19 1.57 -1.42 -2.24 116.57 121.64 2iei h LYS 782 Ca 0.19 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2iei h LYS 782 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2iei h LYS 782 CO 0.02 0.91 -0.54 0.00 -0.57 0.00 0.00 179.45 179.27 2iei h GLN 784 N 0.00 0.00 -0.47 0.00 1.08 -0.88 -2.69 115.11 112.16 2iei h GLN 784 Ca -0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2iei h GLN 784 Cb 1.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 2iei h GLN 784 CO 0.07 0.53 0.07 0.93 -0.95 0.00 0.00 178.83 179.48 2iei h GLU 785 N 0.00 0.78 -0.27 1.46 5.08 -1.23 -2.29 114.58 118.11 2iei h GLU 785 Ca -0.01 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 2iei h GLU 785 Cb 1.14 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2iei h GLU 785 CO 0.07 0.80 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.74 2iei h ARG 786 N 0.65 0.42 0.04 2.33 9.65 -1.45 -0.83 114.38 125.20 2iei h ARG 786 Ca 0.14 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 2iei h ARG 786 Cb 0.40 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 2iei h ARG 786 CO 0.01 0.49 -0.02 0.28 2.80 0.00 0.00 179.97 183.53 2iei h VAL 787 N 0.41 1.07 -0.44 0.20 2.07 -1.31 -2.42 116.25 115.83 2iei h VAL 787 Ca 0.09 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2iei h VAL 787 Cb 0.34 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2iei h VAL 787 CO 0.01 0.09 0.20 0.28 0.02 0.00 0.00 177.57 178.17 2iei h SER 788 N -0.21 0.56 -0.48 0.57 0.02 -1.07 -1.90 113.55 111.03 2iei h SER 788 Ca -0.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2iei h SER 788 Cb 0.19 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2iei h SER 788 CO 0.01 0.49 0.25 0.00 -1.14 0.00 0.00 176.83 176.44 2iei h ALA 789 N 1.60 0.62 -0.57 3.77 0.00 -1.05 -2.82 119.26 120.81 2iei h ALA 789 Ca 0.16 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2iei h ALA 789 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2iei h ALA 789 CO -0.02 0.15 -0.02 1.25 0.00 0.00 0.00 179.25 180.62 2iei h LEU 790 N 0.63 1.00 -1.64 0.00 5.85 -0.93 -3.10 115.31 117.13 2iei h LEU 790 Ca 0.17 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2iei h LEU 790 Cb 0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2iei h LEU 790 CO -0.02 1.07 0.17 0.22 -0.34 0.00 0.00 178.44 179.54 2iei h TYR 791 N 0.91 0.40 0.00 1.25 3.20 -1.25 -0.33 116.97 121.14 2iei h TYR 791 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2iei h TYR 791 Cb 0.57 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2iei h TYR 791 CO 0.04 0.28 0.04 1.63 -1.64 0.00 0.00 178.16 178.51 2iei n LYS 792 N -4.46 0.05 -3.89 1.82 5.02 -1.07 -3.71 118.16 111.92 2iei n LYS 792 Ca 0.01 0.53 -0.29 0.00 -2.02 0.00 0.00 58.31 56.54 2iei n LYS 792 Cb 0.09 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.26 2iei n LYS 792 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2iei s ASN 793 N -3.34 4.27 0.29 4.39 3.04 -0.13 -5.00 114.94 118.46 2iei s ASN 793 Ca -0.01 -3.17 0.04 0.00 0.04 0.00 0.00 52.86 49.76 2iei s ASN 793 Cb 0.02 -1.52 0.74 0.00 -1.54 0.00 0.00 41.25 38.96 2iei s ASN 793 CO 0.07 -0.20 1.69 -0.65 -3.04 0.00 0.00 177.10 174.97 2iei h PRO 794 N 6.23 0.35 -0.10 0.43 0.11 -1.77 -1.68 132.00 135.58 2iei h PRO 794 Ca -0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2iei h PRO 794 Cb 0.86 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 2iei h PRO 794 CO 0.66 0.23 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.58 2iei h ARG 795 N 0.36 0.18 0.00 1.05 2.43 -1.93 -1.72 114.38 114.75 2iei h ARG 795 Ca 0.57 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.63 2iei h ARG 795 Cb 1.10 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2iei h ARG 795 CO -0.55 0.45 -0.24 0.93 -1.51 0.00 0.00 179.97 179.05 2iei h GLU 796 N -0.12 0.00 -0.12 0.20 4.39 -1.82 -0.76 114.58 116.35 2iei h GLU 796 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2iei h GLU 796 Cb 0.38 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2iei h GLU 796 CO 0.01 0.24 0.01 2.35 -1.16 0.00 0.00 179.01 180.46 2iei h TRP 797 N 0.00 0.22 -0.49 4.33 2.91 -1.28 -2.53 115.95 119.11 2iei h TRP 797 Ca -0.00 -0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 2iei h TRP 797 Cb 1.00 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.57 2iei h TRP 797 CO 0.00 0.41 -0.00 1.15 -1.03 0.00 0.00 178.44 178.97 2iei h THR 798 N -0.03 1.24 -0.19 2.65 2.02 -1.02 -0.36 112.91 117.22 2iei h THR 798 Ca 0.04 -1.02 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 2iei h THR 798 Cb 0.31 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2iei h THR 798 CO 0.00 0.36 -0.48 0.03 0.37 0.00 0.00 175.52 175.80 2iei h ARG 799 N 0.76 0.50 -0.37 6.66 3.08 -1.18 0.15 114.38 123.97 2iei h ARG 799 Ca 0.15 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 2iei h ARG 799 Cb 0.46 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2iei h ARG 799 CO 0.02 0.87 -0.40 1.98 -1.07 0.00 0.00 179.97 181.37 2iei h MET 800 N 0.40 0.92 -0.13 0.04 4.05 -1.31 -2.48 114.93 116.41 2iei h MET 800 Ca 0.02 -0.49 0.04 0.00 -0.28 0.00 0.00 59.70 58.99 2iei h MET 800 Cb 0.99 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.76 2iei h MET 800 CO 0.09 1.14 -0.13 0.28 0.23 0.00 0.00 176.91 178.52 2iei h VAL 801 N 0.75 0.64 -0.71 -5.77 2.07 -0.65 -2.14 116.25 110.44 2iei h VAL 801 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.70 2iei h VAL 801 Cb 0.99 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 2iei h VAL 801 CO 0.10 0.00 0.28 0.40 0.02 0.00 0.00 177.57 178.37 2iei h ILE 802 N -0.16 0.71 0.00 4.57 2.04 -0.91 -0.51 117.51 123.26 2iei h ILE 802 Ca 0.09 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2iei h ILE 802 Cb 0.29 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2iei h ILE 802 CO -0.22 0.08 -0.12 0.03 0.00 0.00 0.00 178.15 177.91 2iei h ARG 803 N 0.45 0.00 0.01 2.37 3.08 -0.97 -0.90 114.38 118.42 2iei h ARG 803 Ca 0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 2iei h ARG 803 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2iei h ARG 803 CO -0.36 0.12 -0.00 -0.91 -1.07 0.00 0.00 179.97 177.75 2iei h ASN 804 N 0.00 -0.01 -0.44 7.04 2.35 -0.51 -3.28 115.58 120.73 2iei h ASN 804 Ca -0.00 -0.79 0.05 0.00 -0.55 0.00 0.00 56.30 55.01 2iei h ASN 804 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 2iei h ASN 804 CO 0.02 0.80 0.19 0.40 -1.65 0.00 0.00 177.43 177.19 2iei h ILE 805 N -0.85 0.92 0.00 2.81 2.04 -0.93 -2.39 117.51 119.11 2iei h ILE 805 Ca -0.00 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2iei h ILE 805 Cb 0.80 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2iei h ILE 805 CO 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 178.15 178.22 2iei h ALA 806 N 1.26 1.55 -0.15 1.87 0.00 -1.32 -2.63 119.26 119.84 2iei h ALA 806 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2iei h ALA 806 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2iei h ALA 806 CO -0.17 0.00 -0.08 0.25 0.00 0.00 0.00 179.25 179.25 2iei n THR 807 N -3.89 2.20 1.24 0.00 -2.24 -0.93 -1.48 114.28 109.17 2iei n THR 807 Ca -0.03 -2.38 0.14 0.00 -2.27 0.00 0.00 64.05 59.51 2iei n THR 807 Cb 0.08 -0.26 0.51 0.00 -2.10 0.00 0.00 70.33 68.56 2iei n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2iei n SER 808 N -1.04 0.47 -0.32 3.42 3.41 -0.99 -4.50 113.62 114.06 2iei n SER 808 Ca 0.22 -0.37 0.17 0.00 -0.26 0.00 0.00 58.87 58.63 2iei n SER 808 Cb 0.81 -0.05 0.37 0.00 -0.26 0.00 0.00 64.21 65.08 2iei n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2iei h GLY 809 N 4.97 1.78 2.00 5.00 0.00 -1.80 0.49 103.07 115.51 2iei h GLY 809 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2iei h GLY 809 CO 0.00 -0.33 -0.01 1.70 0.00 0.00 0.00 176.54 177.89 2iei h LYS 810 N 0.42 0.00 -0.67 4.80 3.64 -1.88 -2.93 116.57 119.95 2iei h LYS 810 Ca 0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 2iei h LYS 810 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2iei h LYS 810 CO -0.55 0.01 0.00 1.19 -2.27 0.00 0.00 179.45 177.84 2iei n PHE 811 N -3.32 1.56 -2.64 1.91 3.72 0.16 -4.76 117.46 114.09 2iei n PHE 811 Ca -0.02 -0.55 -0.40 0.00 -0.05 0.00 0.00 57.45 56.42 2iei n PHE 811 Cb 0.12 -0.39 -0.05 0.00 -0.94 0.00 0.00 39.48 38.22 2iei n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2iei s SER 812 N -0.63 7.47 0.29 4.37 0.15 -1.11 -0.80 113.70 123.45 2iei s SER 812 Ca 0.42 2.01 0.25 0.00 0.70 0.00 0.00 55.95 59.33 2iei s SER 812 Cb 0.31 -2.61 1.03 0.00 -1.71 0.00 0.00 66.02 63.04 2iei s SER 812 CO 0.13 -0.02 1.75 0.77 1.20 0.00 0.00 173.24 177.07 2iei h SER 813 N 4.56 0.00 -0.60 5.45 4.64 -1.46 -2.28 113.55 123.85 2iei h SER 813 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2iei h SER 813 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2iei h SER 813 CO 0.69 0.00 0.34 0.44 -0.87 0.00 0.00 176.83 177.44 2iei h ASP 814 N 0.00 0.74 -0.02 4.97 3.32 -1.91 0.17 116.42 123.68 2iei h ASP 814 Ca 0.00 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2iei h ASP 814 Cb 0.40 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2iei h ASP 814 CO 0.00 0.60 0.01 -0.09 -1.72 0.00 0.00 179.24 178.04 2iei h ARG 815 N 0.81 0.03 -0.34 3.56 1.12 -1.73 -2.08 114.38 115.75 2iei h ARG 815 Ca 0.21 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.14 2iei h ARG 815 Cb 0.01 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 29.91 2iei h ARG 815 CO -0.04 0.17 -0.04 1.15 -3.11 0.00 0.00 179.97 178.10 2iei h THR 816 N -0.11 0.70 -0.72 0.20 2.02 -1.42 -2.49 112.91 111.08 2iei h THR 816 Ca 0.01 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2iei h THR 816 Cb 0.15 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2iei h THR 816 CO -0.00 0.01 0.19 0.40 0.37 0.00 0.00 175.52 176.48 2iei h ILE 817 N 0.04 1.26 -0.96 3.11 1.08 -0.94 -1.91 117.51 119.20 2iei h ILE 817 Ca 0.16 -0.97 0.04 0.00 -0.39 0.00 0.00 64.86 63.71 2iei h ILE 817 Cb 0.24 0.50 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2iei h ILE 817 CO -0.31 0.37 0.63 0.00 -0.69 0.00 0.00 178.15 178.15 2iei h ALA 818 N 1.10 1.40 -0.21 1.87 0.00 -1.08 0.93 119.26 123.27 2iei h ALA 818 Ca 0.23 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2iei h ALA 818 Cb 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2iei h ALA 818 CO 0.00 0.50 -0.26 1.96 0.00 0.00 0.00 179.25 181.45 2iei h GLN 819 N 1.18 0.55 -0.57 0.00 4.20 -1.12 -1.97 115.11 117.39 2iei h GLN 819 Ca 0.39 -0.31 0.08 0.00 0.06 0.00 0.00 58.65 58.87 2iei h GLN 819 Cb 0.05 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 2iei h GLN 819 CO -0.13 0.90 0.21 1.88 -0.67 0.00 0.00 178.83 181.03 2iei h TYR 820 N 0.23 0.37 -0.08 2.96 -1.99 -0.88 0.56 116.97 118.15 2iei h TYR 820 Ca 0.03 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 2iei h TYR 820 Cb 0.82 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.47 2iei h TYR 820 CO 0.08 0.11 0.01 0.00 -0.00 0.00 0.00 178.16 178.35 2iei h ALA 821 N 1.39 0.10 0.00 3.88 0.00 -0.74 0.22 119.26 124.12 2iei h ALA 821 Ca 0.28 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 2iei h ALA 821 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2iei h ALA 821 CO -0.28 -0.23 -0.94 0.00 0.00 0.00 0.00 179.25 177.80 2iei h ARG 822 N -0.13 0.00 0.00 0.00 3.08 -1.34 0.55 114.38 116.53 2iei h ARG 822 Ca 0.02 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2iei h ARG 822 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2iei h ARG 822 CO 0.00 0.89 -1.95 0.39 -1.07 0.00 0.00 179.97 178.22 2iei n GLU 823 N -3.31 0.65 0.01 0.04 1.02 0.18 -4.47 120.64 114.76 2iei n GLU 823 Ca -0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2iei n GLU 823 Cb 0.91 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2iei n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2iei n ILE 824 N -2.25 0.21 0.15 -3.67 5.41 0.07 -4.87 119.36 114.40 2iei n ILE 824 Ca -0.07 0.07 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2iei n ILE 824 Cb 0.59 -1.33 0.11 0.00 -0.71 0.00 0.00 39.64 38.30 2iei n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2iei h TRP 825 N 0.00 0.00 -3.00 1.39 6.55 -0.65 -3.48 115.95 116.76 2iei h TRP 825 Ca 0.00 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.70 2iei h TRP 825 Cb 0.65 0.00 0.06 0.00 -0.86 0.00 0.00 29.16 29.01 2iei h TRP 825 CO 0.00 0.51 -0.27 0.41 -1.05 0.00 0.00 178.44 178.04 2iei n GLY 826 N 0.92 0.31 3.17 1.49 0.00 0.17 -4.92 105.19 106.32 2iei n GLY 826 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2iei n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iei s VAL 827 N -3.13 0.54 -0.20 1.61 -7.23 0.11 -5.01 120.40 107.10 2iei s VAL 827 Ca 0.15 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2iei s VAL 827 Cb -0.07 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2iei s VAL 827 CO 0.28 -0.76 -0.06 -0.70 -0.31 0.00 0.00 175.10 173.54 2iei s GLU 828 N -3.89 3.37 0.66 4.82 2.56 -1.26 -3.31 118.70 121.65 2iei s GLU 828 Ca 0.15 -0.64 -0.16 0.00 0.00 0.00 0.00 54.97 54.33 2iei s GLU 828 Cb 0.06 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.27 2iei s GLU 828 CO -0.03 -0.11 1.14 -1.25 -0.56 0.00 0.00 175.26 174.45 2iei s PRO 829 N 1.24 2.69 -0.11 4.30 0.04 -1.26 -4.93 135.00 136.96 2iei s PRO 829 Ca 0.03 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.54 2iei s PRO 829 Cb -0.14 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2iei s PRO 829 CO -0.02 -1.36 0.23 0.45 0.04 0.00 0.00 177.00 176.34 2iei s SER 830 N -2.33 0.31 0.00 6.66 0.15 0.17 -5.02 113.70 113.65 2iei s SER 830 Ca 0.70 0.52 0.25 0.00 0.70 0.00 0.00 55.95 58.12 2iei s SER 830 Cb -0.23 0.54 0.47 0.00 -1.71 0.00 0.00 66.02 65.08 2iei s SER 830 CO 0.41 -0.22 1.42 0.54 1.20 0.00 0.00 173.24 176.58