#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 5.10 0.20 5.09 -4.36 -1.26 -5.01 121.20 120.96 2iei s ILE 13 Ca 0.00 0.53 -0.10 0.00 -0.26 0.00 0.00 60.65 60.82 2iei s ILE 13 Cb 0.00 -3.65 0.13 0.00 1.25 0.00 0.00 42.46 40.19 2iei s ILE 13 CO 0.00 0.38 1.82 -1.28 0.24 0.00 0.00 174.94 176.10 2iei h SER 14 N 4.04 0.57 0.00 4.36 0.87 -1.96 -2.73 113.55 118.70 2iei h SER 14 Ca -0.50 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2iei h SER 14 Cb 1.20 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2iei h SER 14 CO 0.65 0.38 0.05 0.55 -0.53 0.00 0.00 176.83 177.93 2iei n VAL 15 N -4.76 1.69 0.09 2.23 3.14 -1.26 -1.79 118.33 117.66 2iei n VAL 15 Ca 0.07 0.53 0.11 0.00 -2.96 0.00 0.00 64.34 62.10 2iei n VAL 15 Cb 0.14 -1.53 0.24 0.00 -1.06 0.00 0.00 33.84 31.62 2iei n VAL 15 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2iei n ARG 16 N -1.56 2.54 0.00 1.45 1.74 -1.03 -5.08 116.66 114.72 2iei n ARG 16 Ca -0.00 -2.36 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 2iei n ARG 16 Cb 0.05 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 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 1.47 -1.80 3.78 -0.13 0.00 -0.74 -2.58 105.19 105.19 2iei n GLY 17 Ca 0.20 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 4.22 -1.17 0.99 1.43 -1.26 -4.77 118.68 118.12 2iei s LEU 18 Ca 0.00 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 2iei s LEU 18 Cb 0.00 -2.06 0.25 0.00 0.03 0.00 0.00 46.19 44.41 2iei s LEU 18 CO 0.00 0.28 1.73 0.00 0.23 0.00 0.00 176.35 178.59 2iei n ALA 19 N 2.86 5.47 -1.97 4.21 0.00 -1.26 -3.76 120.51 126.06 2iei n ALA 19 Ca -0.18 -4.56 -0.42 0.00 0.00 0.00 0.00 53.44 48.28 2iei n ALA 19 Cb 0.53 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 -0.67 1.62 0.40 0.00 0.00 -1.26 -4.88 107.32 102.54 2iei s GLY 20 Ca 0.37 1.27 0.17 0.00 0.00 0.00 0.00 44.72 46.52 2iei s GLY 20 CO 0.03 2.68 1.80 -0.39 0.00 0.00 0.00 173.10 177.23 2iei h VAL 21 N 4.35 0.60 -0.07 1.40 -1.51 -1.99 0.03 116.25 119.07 2iei h VAL 21 Ca -0.42 -0.15 -0.20 0.00 -1.23 0.00 0.00 66.70 64.70 2iei h VAL 21 Cb 1.20 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 30.51 2iei h VAL 21 CO 0.91 0.08 -0.73 -0.33 -1.23 0.00 0.00 177.57 176.27 2iei h GLU 22 N 0.43 0.61 -0.61 5.19 4.39 -2.00 -2.33 114.58 120.27 2iei h GLU 22 Ca 0.55 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2iei h GLU 22 Cb 1.34 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.10 2iei h GLU 22 CO -0.25 1.19 0.30 -0.91 -1.16 0.00 0.00 179.01 178.18 2iei h ASN 23 N 0.25 0.78 -0.89 1.42 2.35 -1.63 -2.49 115.58 115.37 2iei h ASN 23 Ca -0.07 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2iei h ASN 23 Cb 1.39 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.51 2iei h ASN 23 CO 0.15 0.69 0.56 0.58 -1.65 0.00 0.00 177.43 177.75 2iei h VAL 24 N 0.83 1.24 -0.16 2.81 2.07 -1.03 0.18 116.25 122.19 2iei h VAL 24 Ca 0.21 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2iei h VAL 24 Cb 0.10 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2iei h VAL 24 CO -0.03 0.25 -0.00 0.74 0.02 0.00 0.00 177.57 178.54 2iei h THR 25 N 1.22 1.26 -0.03 2.57 2.02 -1.33 -2.26 112.91 116.36 2iei h THR 25 Ca 0.32 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 2iei h THR 25 Cb -0.08 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2iei h THR 25 CO -0.06 0.25 -0.42 -0.08 0.37 0.00 0.00 175.52 175.58 2iei h GLU 26 N 0.02 0.06 -0.49 6.66 4.57 -1.15 -2.10 114.58 122.14 2iei h GLU 26 Ca 0.04 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 2iei h GLU 26 Cb 0.38 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2iei h GLU 26 CO 0.01 0.47 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.10 2iei h LEU 27 N 0.05 0.97 -0.57 1.64 3.38 -0.59 -1.87 115.31 118.32 2iei h LEU 27 Ca 0.00 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2iei h LEU 27 Cb 0.76 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2iei h LEU 27 CO 0.06 1.11 -0.24 0.11 0.09 0.00 0.00 178.44 179.57 2iei h LYS 28 N 0.81 0.90 -0.04 1.13 1.57 -1.31 -1.53 116.57 118.10 2iei h LYS 28 Ca 0.12 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2iei h LYS 28 Cb 0.69 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 2iei h LYS 28 CO 0.05 1.03 0.02 0.87 -0.57 0.00 0.00 179.45 180.85 2iei h LYS 29 N 0.77 0.07 -0.37 3.15 1.57 -1.32 -1.87 116.57 118.56 2iei h LYS 29 Ca 0.10 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2iei h LYS 29 Cb 0.79 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2iei h LYS 29 CO 0.07 0.22 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.13 2iei h ASN 30 N -0.10 0.64 -0.08 0.86 2.35 -1.37 0.05 115.58 117.92 2iei h ASN 30 Ca 0.01 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.62 2iei h ASN 30 Cb 0.18 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 2iei h ASN 30 CO -0.00 0.79 -0.22 0.15 -1.65 0.00 0.00 177.43 176.50 2iei h PHE 31 N 0.60 -0.58 -0.49 1.19 3.04 -1.19 0.32 116.94 119.83 2iei h PHE 31 Ca 0.10 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 2iei h PHE 31 Cb 0.56 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 2iei h PHE 31 CO 0.02 -0.30 0.13 -0.91 -2.02 0.00 0.00 178.31 175.23 2iei h ASN 32 N -0.30 0.73 0.03 0.41 2.35 -1.11 -1.09 115.58 116.60 2iei h ASN 32 Ca 0.09 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2iei h ASN 32 Cb 0.43 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 2iei h ASN 32 CO -0.26 0.76 -0.37 -0.09 -1.65 0.00 0.00 177.43 175.82 2iei h ARG 33 N 0.66 -0.53 -0.64 0.81 1.12 -0.87 -1.24 114.38 113.69 2iei h ARG 33 Ca 0.15 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.08 2iei h ARG 33 Cb 0.31 0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.35 2iei h ARG 33 CO -0.00 -0.35 0.41 0.45 -3.11 0.00 0.00 179.97 177.36 2iei h HIS 34 N -0.55 0.76 -0.89 2.20 3.86 -0.82 0.27 115.15 119.98 2iei h HIS 34 Ca 0.05 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.40 2iei h HIS 34 Cb 0.62 -0.25 -0.08 0.00 1.06 0.00 0.00 27.41 28.75 2iei h HIS 34 CO -0.37 0.46 0.51 1.25 0.86 0.00 0.00 177.93 180.63 2iei h LEU 35 N 0.81 0.70 0.15 2.43 5.85 -1.02 -0.52 115.31 123.72 2iei h LEU 35 Ca 0.25 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2iei h LEU 35 Cb -0.03 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2iei h LEU 35 CO -0.08 0.36 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.57 2iei h HIS 36 N 0.79 -0.19 0.09 1.25 2.76 -0.24 -1.23 115.15 118.39 2iei h HIS 36 Ca 0.45 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.48 2iei h HIS 36 Cb 0.51 0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.54 2iei h HIS 36 CO -0.05 -0.12 -0.61 0.74 -1.30 0.00 0.00 177.93 176.60 2iei h PHE 37 N -0.78 0.35 0.02 5.26 0.04 -0.54 -1.41 116.94 119.89 2iei h PHE 37 Ca -0.02 -0.26 -0.24 0.00 2.80 0.00 0.00 57.97 60.25 2iei h PHE 37 Cb 0.15 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.30 2iei h PHE 37 CO 0.01 1.23 -1.01 1.15 -0.60 0.00 0.00 178.31 179.09 2iei h THR 38 N -0.58 1.37 0.00 -1.55 2.02 -1.42 -3.36 112.91 109.39 2iei h THR 38 Ca -0.11 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.62 2iei h THR 38 Cb 1.44 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 2iei h THR 38 CO 0.09 0.74 -1.33 0.18 0.37 0.00 0.00 175.52 175.57 2iei n LEU 39 N -3.76 0.39 -3.54 2.58 4.77 -0.31 -5.03 117.00 112.11 2iei n LEU 39 Ca -0.08 -0.24 -0.19 0.00 -0.03 0.00 0.00 56.01 55.47 2iei n LEU 39 Cb 0.87 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.03 2iei n LEU 39 CO 0.53 0.10 0.05 0.52 -1.33 0.00 0.00 177.39 177.26 2iei n VAL 40 N -1.77 -5.31 -4.16 4.08 0.31 -0.53 -4.97 118.33 105.98 2iei n VAL 40 Ca -0.00 -0.48 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 2iei n VAL 40 Cb 0.37 -4.51 -0.10 0.00 -0.91 0.00 0.00 33.84 28.68 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 -5.63 0.80 0.28 5.55 -0.14 -0.51 -5.01 119.74 115.09 2iei s LYS 41 Ca 0.03 -1.20 0.09 0.00 -1.36 0.00 0.00 55.97 53.53 2iei s LYS 41 Cb -0.01 -0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 35.76 2iei s LYS 41 CO 0.76 0.03 0.09 -0.51 -0.76 0.00 0.00 175.35 174.95 2iei s ASP 42 N -2.65 4.85 0.00 2.83 1.11 -1.26 -4.02 116.67 117.53 2iei s ASP 42 Ca 0.07 -0.56 0.00 0.00 0.18 0.00 0.00 52.55 52.24 2iei s ASP 42 Cb 0.00 -0.97 0.00 0.00 1.07 0.00 0.00 42.92 43.02 2iei s ASP 42 CO -0.02 -0.08 0.94 0.54 1.18 0.00 0.00 175.17 177.72 2iei n ARG 43 N -1.04 0.00 0.12 8.23 5.12 -1.26 -1.85 116.66 125.98 2iei n ARG 43 Ca -0.06 0.44 -0.20 0.00 -1.93 0.00 0.00 57.85 56.10 2iei n ARG 43 Cb 0.59 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 30.22 2iei n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2iei h ASN 44 N 0.00 0.65 -0.04 0.55 -0.26 -2.05 -3.37 115.58 111.07 2iei h ASN 44 Ca 0.00 -0.67 0.00 0.00 -0.56 0.00 0.00 56.30 55.07 2iei h ASN 44 Cb 0.07 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2iei h ASN 44 CO 0.00 1.51 0.00 1.33 -1.06 0.00 0.00 177.43 179.21 2iei n VAL 45 N -3.65 0.34 -2.27 2.81 0.24 -1.00 -5.04 118.33 109.77 2iei n VAL 45 Ca -0.12 -0.67 -0.42 0.00 -2.04 0.00 0.00 64.34 61.09 2iei n VAL 45 Cb 1.03 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 34.25 2iei n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iei s ALA 46 N -0.52 3.52 0.45 2.33 0.00 -0.77 -4.96 121.76 121.80 2iei s ALA 46 Ca 0.05 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.05 2iei s ALA 46 Cb 0.03 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2iei s ALA 46 CO 0.04 -0.57 0.64 0.95 0.00 0.00 0.00 175.76 176.82 2iei s THR 47 N 1.18 3.39 0.41 0.00 -4.23 -1.26 -4.98 115.64 110.15 2iei s THR 47 Ca 0.62 -0.77 0.19 0.00 -1.18 0.00 0.00 61.69 60.56 2iei s THR 47 Cb -0.34 -3.21 0.40 0.00 1.34 0.00 0.00 72.50 70.69 2iei s THR 47 CO 0.29 -0.12 1.78 -0.65 -0.54 0.00 0.00 174.62 175.38 2iei h PRO 48 N 0.46 0.36 -0.44 3.99 0.11 -1.99 -2.25 132.00 132.24 2iei h PRO 48 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2iei h PRO 48 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2iei h PRO 48 CO 0.52 0.24 0.03 -0.09 -0.21 0.00 0.00 178.00 178.49 2iei h ARG 49 N 0.37 0.77 -0.93 1.05 2.43 -1.96 -0.78 114.38 115.33 2iei h ARG 49 Ca 0.59 -0.23 0.08 0.00 -0.81 0.00 0.00 59.98 59.60 2iei h ARG 49 Cb 1.52 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.93 2iei h ARG 49 CO -0.28 0.82 0.58 -0.44 -1.51 0.00 0.00 179.97 179.14 2iei h ASP 50 N 0.62 0.89 -0.09 -3.80 3.32 -1.82 -2.20 116.42 113.34 2iei h ASP 50 Ca 0.13 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2iei h ASP 50 Cb 0.46 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2iei h ASP 50 CO 0.02 0.54 -0.37 1.88 -1.72 0.00 0.00 179.24 179.60 2iei h TYR 51 N 1.01 0.70 0.04 4.55 0.05 -0.85 -0.42 116.97 122.05 2iei h TYR 51 Ca 0.42 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 2iei h TYR 51 Cb 0.26 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2iei h TYR 51 CO -0.02 0.88 -0.02 -0.92 -1.05 0.00 0.00 178.16 177.03 2iei h TYR 52 N 0.50 -0.05 -0.23 4.88 3.20 -0.93 -2.42 116.97 121.91 2iei h TYR 52 Ca 0.05 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2iei h TYR 52 Cb 0.86 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2iei h TYR 52 CO 0.04 0.09 0.03 0.74 -1.64 0.00 0.00 178.16 177.42 2iei h PHE 53 N -0.18 0.33 -0.50 -3.82 0.04 -1.21 0.29 116.94 111.88 2iei h PHE 53 Ca -0.01 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 2iei h PHE 53 Cb 0.16 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2iei h PHE 53 CO -0.03 0.31 0.01 0.00 -0.60 0.00 0.00 178.31 178.00 2iei h ALA 54 N 1.72 0.68 -0.22 2.45 0.00 -1.01 -1.62 119.26 121.26 2iei h ALA 54 Ca 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2iei h ALA 54 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2iei h ALA 54 CO -0.00 0.48 -0.08 1.25 0.00 0.00 0.00 179.25 180.90 2iei h LEU 55 N 0.75 0.44 -0.31 0.00 5.85 -0.92 -2.27 115.31 118.86 2iei h LEU 55 Ca 0.14 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.54 2iei h LEU 55 Cb 0.50 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2iei h LEU 55 CO 0.02 0.73 -0.05 0.00 -0.34 0.00 0.00 178.44 178.81 2iei h ALA 56 N 0.73 0.23 -0.61 1.25 0.00 -0.38 -0.39 119.26 120.09 2iei h ALA 56 Ca 0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2iei h ALA 56 Cb 0.55 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2iei h ALA 56 CO 0.03 -0.44 0.36 0.45 0.00 0.00 0.00 179.25 179.64 2iei h HIS 57 N 0.03 0.82 -0.47 0.00 3.86 -1.33 0.19 115.15 118.25 2iei h HIS 57 Ca 0.15 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2iei h HIS 57 Cb 0.22 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 2iei h HIS 57 CO -0.27 0.57 0.25 1.15 0.86 0.00 0.00 177.93 180.49 2iei h THR 58 N 0.83 1.00 -0.18 2.45 2.02 -0.75 -1.70 112.91 116.58 2iei h THR 58 Ca 0.22 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 2iei h THR 58 Cb 0.00 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2iei h THR 58 CO -0.04 0.09 -0.40 0.58 0.37 0.00 0.00 175.52 176.13 2iei h VAL 59 N 0.51 1.34 -0.87 3.16 2.07 -0.97 -3.15 116.25 118.33 2iei h VAL 59 Ca 0.20 -1.64 0.20 0.00 0.82 0.00 0.00 66.70 66.28 2iei h VAL 59 Cb 0.07 1.93 -0.12 0.00 -1.52 0.00 0.00 31.29 31.65 2iei h VAL 59 CO -0.12 0.50 0.39 -0.09 0.02 0.00 0.00 177.57 178.27 2iei h ARG 60 N 0.24 0.43 -0.78 1.57 2.43 -0.38 -1.81 114.38 116.08 2iei h ARG 60 Ca 0.00 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 2iei h ARG 60 Cb 1.00 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.40 2iei h ARG 60 CO 0.09 0.28 0.52 -0.44 -1.51 0.00 0.00 179.97 178.91 2iei h ASP 61 N 0.44 0.46 1.07 -3.80 3.32 -1.26 -1.09 116.42 115.56 2iei h ASP 61 Ca 0.53 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2iei h ASP 61 Cb 0.94 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2iei h ASP 61 CO -0.49 0.24 0.00 0.45 -1.72 0.00 0.00 179.24 177.72 2iei h HIS 62 N 0.49 0.00 0.03 4.55 3.86 -1.44 -3.12 115.15 119.53 2iei h HIS 62 Ca 0.39 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.36 2iei h HIS 62 Cb 0.79 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 2iei h HIS 62 CO -0.00 0.00 -1.11 -0.07 0.86 0.00 0.00 177.93 177.61 2iei h LEU 63 N 0.00 0.10 -0.51 2.43 3.38 -1.25 -3.41 115.31 116.05 2iei h LEU 63 Ca 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2iei h LEU 63 Cb 0.54 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2iei h LEU 63 CO 0.00 1.09 0.27 -0.37 0.09 0.00 0.00 178.44 179.52 2iei h VAL 64 N 0.02 1.18 0.42 1.22 -1.51 -1.59 -0.55 116.25 115.44 2iei h VAL 64 Ca -0.06 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 2iei h VAL 64 Cb 1.84 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2iei h VAL 64 CO 0.14 0.19 -0.26 1.23 -1.23 0.00 0.00 177.57 177.65 2iei h GLY 65 N 0.68 -0.68 0.52 5.19 0.00 -1.79 -0.28 103.07 106.70 2iei h GLY 65 Ca 0.18 0.29 0.12 0.00 0.00 0.00 0.00 47.33 47.91 2iei h GLY 65 CO -0.03 -0.26 0.62 3.21 0.00 0.00 0.00 176.54 180.08 2iei h ARG 66 N -0.65 0.92 -0.08 4.80 3.08 -1.79 -1.17 114.38 119.48 2iei h ARG 66 Ca -0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2iei h ARG 66 Cb 0.53 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2iei h ARG 66 CO 0.05 0.61 -0.02 2.35 -1.07 0.00 0.00 179.97 181.88 2iei h TRP 67 N 0.94 0.19 0.01 3.04 7.01 -0.46 0.19 115.95 126.87 2iei h TRP 67 Ca 0.48 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.44 2iei h TRP 67 Cb 0.50 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2iei h TRP 67 CO -0.00 0.49 -0.03 0.82 -2.79 0.00 0.00 178.44 176.93 2iei h ILE 68 N -0.17 0.92 -0.28 2.65 2.04 -0.97 -2.83 117.51 118.86 2iei h ILE 68 Ca 0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2iei h ILE 68 Cb 0.44 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2iei h ILE 68 CO 0.01 0.00 -0.14 0.03 0.00 0.00 0.00 178.15 178.05 2iei h ARG 69 N -0.06 0.48 0.14 2.37 3.08 -1.11 -1.72 114.38 117.56 2iei h ARG 69 Ca 0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2iei h ARG 69 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2iei h ARG 69 CO -0.03 0.62 -0.07 1.15 -1.07 0.00 0.00 179.97 180.57 2iei h THR 70 N 0.45 0.91 0.00 2.04 2.02 -0.62 -1.12 112.91 116.59 2iei h THR 70 Ca 0.08 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2iei h THR 70 Cb 0.51 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 2iei h THR 70 CO 0.03 0.04 -0.30 1.56 0.37 0.00 0.00 175.52 177.23 2iei h GLN 71 N -0.26 0.00 -0.13 6.66 1.08 -1.31 -1.61 115.11 119.54 2iei h GLN 71 Ca -0.02 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.96 2iei h GLN 71 Cb 0.21 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2iei h GLN 71 CO 0.03 0.30 -0.78 0.37 -0.95 0.00 0.00 178.83 177.80 2iei h GLN 72 N 0.00 0.75 -0.83 1.46 5.75 -1.31 -3.25 115.11 117.69 2iei h GLN 72 Ca -0.00 -0.64 0.05 0.00 -0.15 0.00 0.00 58.65 57.91 2iei h GLN 72 Cb 0.80 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.44 2iei h GLN 72 CO 0.04 1.24 0.52 1.25 -2.65 0.00 0.00 178.83 179.23 2iei h HIS 73 N 0.47 0.96 -0.43 3.99 2.76 -0.70 -3.44 115.15 118.76 2iei h HIS 73 Ca -0.06 0.03 -0.41 0.00 -2.20 0.00 0.00 60.37 57.73 2iei h HIS 73 Cb 1.41 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 30.03 2iei h HIS 73 CO 0.09 0.52 1.36 0.66 -1.30 0.00 0.00 177.93 179.26 2iei n TYR 74 N -4.61 2.81 0.00 5.26 4.01 -0.65 -4.39 117.16 119.58 2iei n TYR 74 Ca 0.11 -1.65 0.00 0.00 -0.16 0.00 0.00 57.90 56.20 2iei n TYR 74 Cb 0.14 -2.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.66 2iei n TYR 74 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2iei n LYS 77 N 8.10 0.00 -4.05 -0.72 4.81 -1.26 -4.38 118.16 120.66 2iei n LYS 77 Ca 0.46 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.47 2iei n LYS 77 Cb 0.46 -2.75 0.01 0.00 0.02 0.00 0.00 35.03 32.77 2iei n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2iei n ASP 78 N 0.04 -3.65 -4.60 3.14 2.03 -1.26 -4.98 116.55 107.27 2iei n ASP 78 Ca 0.00 -1.26 -0.29 0.00 0.52 0.00 0.00 54.79 53.76 2iei n ASP 78 Cb 0.00 -1.92 0.13 0.00 -0.72 0.00 0.00 41.12 38.61 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 -7.23 1.24 0.21 -0.67 0.04 -1.26 -5.01 135.00 122.31 2iei s PRO 79 Ca 0.43 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.17 2iei s PRO 79 Cb -0.22 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2iei s PRO 79 CO 0.96 -2.07 1.35 0.21 0.04 0.00 0.00 177.00 177.48 2iei s LYS 80 N -5.59 4.35 -0.18 4.56 2.20 -1.26 -4.93 119.74 118.89 2iei s LYS 80 Ca 0.66 2.13 -0.11 0.00 -0.36 0.00 0.00 55.97 58.29 2iei s LYS 80 Cb -0.10 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 2iei s LYS 80 CO 0.51 -0.31 0.18 1.03 -0.36 0.00 0.00 175.35 176.41 2iei s ARG 81 N -0.15 4.18 -0.21 4.03 0.52 0.12 -4.55 118.95 122.88 2iei s ARG 81 Ca 0.58 -0.11 -0.08 0.00 -0.52 0.00 0.00 55.73 55.60 2iei s ARG 81 Cb -0.38 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 2iei s ARG 81 CO 0.39 0.30 0.07 0.42 0.02 0.00 0.00 175.30 176.51 2iei s ILE 82 N 0.32 4.66 -0.33 1.52 1.09 -0.79 -0.90 121.20 126.77 2iei s ILE 82 Ca 0.11 -0.07 -0.01 0.00 -1.10 0.00 0.00 60.65 59.58 2iei s ILE 82 Cb -0.12 -3.13 0.08 0.00 -1.06 0.00 0.00 42.46 38.22 2iei s ILE 82 CO 0.00 0.41 0.06 -0.31 -0.10 0.00 0.00 174.94 175.00 2iei s TYR 83 N 0.86 3.44 -0.56 3.97 2.02 0.26 -0.88 117.35 126.46 2iei s TYR 83 Ca 0.04 -2.24 -0.22 0.00 -0.37 0.00 0.00 57.07 54.27 2iei s TYR 83 Cb -0.14 -2.55 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 2iei s TYR 83 CO 0.03 -0.88 0.87 -0.47 -1.57 0.00 0.00 175.55 173.52 2iei s TYR 84 N 1.15 2.83 -0.22 2.71 5.04 -0.17 -0.83 117.35 127.86 2iei s TYR 84 Ca 0.01 -0.27 -0.15 0.00 -2.44 0.00 0.00 57.07 54.22 2iei s TYR 84 Cb -0.21 -3.99 -0.04 0.00 0.35 0.00 0.00 41.96 38.07 2iei s TYR 84 CO -0.03 -1.34 0.36 -0.51 -1.34 0.00 0.00 175.55 172.69 2iei s LEU 85 N 3.63 4.13 -0.18 6.97 1.02 -0.39 -1.46 118.68 132.40 2iei s LEU 85 Ca 0.25 0.42 -0.15 0.00 0.02 0.00 0.00 54.13 54.67 2iei s LEU 85 Cb -0.15 -2.44 0.05 0.00 0.02 0.00 0.00 46.19 43.67 2iei s LEU 85 CO 0.15 -0.07 0.46 -0.55 0.02 0.00 0.00 176.35 176.36 2iei s SER 86 N 1.13 -0.51 0.00 2.29 0.15 -0.91 -1.69 113.70 114.16 2iei s SER 86 Ca 0.17 0.95 0.22 0.00 0.70 0.00 0.00 55.95 57.98 2iei s SER 86 Cb -0.15 0.93 1.13 0.00 -1.71 0.00 0.00 66.02 66.22 2iei s SER 86 CO 0.08 -0.17 1.71 0.18 1.20 0.00 0.00 173.24 176.23 2iei n LEU 87 N 3.19 0.00 -3.78 3.45 4.77 -1.26 -4.14 117.00 119.23 2iei n LEU 87 Ca -0.16 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.93 2iei n LEU 87 Cb 0.57 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 2iei n LEU 87 CO 0.10 -0.07 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.13 2iei s GLU 88 N -2.51 -0.02 -0.30 3.23 2.02 -1.26 -4.64 118.70 115.22 2iei s GLU 88 Ca 0.22 0.17 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 2iei s GLU 88 Cb 0.15 -0.24 0.10 0.00 0.10 0.00 0.00 34.13 34.23 2iei s GLU 88 CO 0.32 -0.16 0.12 -0.06 0.02 0.00 0.00 175.26 175.51 2iei s PHE 89 N 1.00 0.84 -1.27 1.61 0.08 -0.58 -4.60 117.98 115.05 2iei s PHE 89 Ca -0.08 -1.21 -0.12 0.00 0.12 0.00 0.00 56.93 55.64 2iei s PHE 89 Cb -0.12 -1.20 0.15 0.00 -0.57 0.00 0.00 43.02 41.28 2iei s PHE 89 CO -0.03 -0.85 1.72 0.98 -0.10 0.00 0.00 175.22 176.95 2iei n TYR 90 N 5.09 3.89 0.08 0.36 4.19 -0.49 -3.50 117.16 126.78 2iei n TYR 90 Ca -0.04 -3.03 -0.11 0.00 3.31 0.00 0.00 57.90 58.02 2iei n TYR 90 Cb 0.42 -2.13 -0.06 0.00 0.49 0.00 0.00 39.34 38.05 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 6.42 0.24 0.00 2.98 2.86 -1.79 -3.41 114.93 122.22 2iei h MET 91 Ca 0.38 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2iei h MET 91 Cb 0.74 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2iei h MET 91 CO 1.49 1.06 0.00 0.41 1.06 0.00 0.00 176.91 180.93 2iei n GLY 92 N 1.12 0.46 3.92 8.32 0.00 -0.85 -4.86 105.19 113.29 2iei n GLY 92 Ca -0.05 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 3.08 -0.00 1.61 0.52 -1.26 -0.53 118.95 122.37 2iei s ARG 93 Ca 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 2iei s ARG 93 Cb 0.00 -2.30 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 2iei s ARG 93 CO 0.00 -0.57 0.00 2.41 0.02 0.00 0.00 175.30 177.16 2iei n THR 94 N -2.49 0.00 0.34 0.02 -1.04 -1.26 -4.73 114.28 105.11 2iei n THR 94 Ca 0.04 -0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.88 2iei n THR 94 Cb 0.57 0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 69.46 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 -0.73 -0.15 -4.42 5.85 -1.96 -1.85 115.31 112.05 2iei h LEU 95 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2iei h LEU 95 Cb 0.03 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2iei h LEU 95 CO 0.00 -0.41 0.07 -0.61 -0.34 0.00 0.00 178.44 177.15 2iei h GLN 96 N -1.05 0.22 -0.98 1.25 4.15 -1.96 -2.47 115.11 114.27 2iei h GLN 96 Ca -0.09 -0.03 0.15 0.00 0.77 0.00 0.00 58.65 59.45 2iei h GLN 96 Cb 0.70 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.27 2iei h GLN 96 CO 0.14 0.28 0.61 -0.97 -1.93 0.00 0.00 178.83 176.97 2iei h ASN 97 N 0.10 0.80 -0.12 -0.69 -0.73 -1.85 -1.09 115.58 112.01 2iei h ASN 97 Ca 0.05 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.27 2iei h ASN 97 Cb 0.14 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 2iei h ASN 97 CO -0.01 0.38 0.02 0.74 -0.37 0.00 0.00 177.43 178.19 2iei h THR 98 N 0.83 1.22 -0.91 -3.57 2.02 -1.11 -2.76 112.91 108.64 2iei h THR 98 Ca 0.51 -0.70 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2iei h THR 98 Cb 0.70 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 2iei h THR 98 CO -0.28 0.20 0.60 0.24 0.37 0.00 0.00 175.52 176.65 2iei h MET 99 N -0.04 1.15 0.02 6.66 2.86 -0.90 -1.67 114.93 123.02 2iei h MET 99 Ca 0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2iei h MET 99 Cb 0.30 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2iei h MET 99 CO 0.00 0.76 -0.01 0.28 1.06 0.00 0.00 176.91 179.01 2iei h VAL 100 N 1.19 1.06 0.00 -2.22 2.07 -1.21 0.61 116.25 117.74 2iei h VAL 100 Ca 0.34 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2iei h VAL 100 Cb -0.07 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2iei h VAL 100 CO -0.09 0.06 -0.26 0.78 0.02 0.00 0.00 177.57 178.08 2iei h ASN 101 N -0.12 0.00 -0.31 0.57 2.35 -1.19 -2.33 115.58 114.54 2iei h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2iei h ASN 101 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2iei h ASN 101 CO 0.00 0.26 0.00 0.18 -1.65 0.00 0.00 177.43 176.22 2iei n LEU 102 N -3.60 2.90 -3.70 1.61 4.77 -0.65 -1.20 117.00 117.12 2iei n LEU 102 Ca -0.01 -1.23 -0.26 0.00 -0.03 0.00 0.00 56.01 54.48 2iei n LEU 102 Cb 0.39 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2iei n LEU 102 CO 0.34 0.62 0.18 0.00 -1.33 0.00 0.00 177.39 177.20 2iei n ALA 103 N 1.13 -1.37 0.36 -1.18 0.00 -0.70 -4.93 120.51 113.83 2iei n ALA 103 Ca 0.18 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.96 2iei n ALA 103 Cb 0.52 -4.89 0.05 0.00 0.00 0.00 0.00 19.45 15.13 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 -4.83 1.95 -0.02 0.00 4.77 0.20 -4.47 117.00 114.61 2iei n LEU 104 Ca -0.01 -1.10 -0.10 0.00 -0.03 0.00 0.00 56.01 54.77 2iei n LEU 104 Cb 0.56 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2iei n LEU 104 CO 0.69 0.39 0.91 -0.08 -1.33 0.00 0.00 177.39 177.96 2iei h GLU 105 N 1.98 0.13 -0.55 3.23 4.81 -1.65 -0.54 114.58 121.99 2iei h GLU 105 Ca 0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2iei h GLU 105 Cb 0.45 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2iei h GLU 105 CO 0.00 0.09 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.38 2iei h ASN 106 N 0.14 1.02 -0.68 1.04 2.35 -1.79 -0.60 115.58 117.05 2iei h ASN 106 Ca 0.06 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 2iei h ASN 106 Cb 0.02 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2iei h ASN 106 CO -0.05 1.12 0.29 0.00 -1.65 0.00 0.00 177.43 177.15 2iei h ALA 107 N 0.93 1.19 0.01 -0.83 0.00 -1.60 -1.87 119.26 117.09 2iei h ALA 107 Ca 0.15 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2iei h ALA 107 Cb 0.65 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2iei h ALA 107 CO 0.04 0.60 -0.92 0.00 0.00 0.00 0.00 179.25 178.97 2iei h ASP 109 N 0.06 0.90 -0.22 0.00 1.82 -0.97 -1.53 116.42 116.48 2iei h ASP 109 Ca -0.04 -0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 56.32 2iei h ASP 109 Cb 1.58 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.34 2iei h ASP 109 CO 0.13 0.92 0.04 -0.08 -1.61 0.00 0.00 179.24 178.64 2iei h GLU 110 N 0.84 0.36 -0.20 0.28 4.57 -1.36 -1.90 114.58 117.17 2iei h GLU 110 Ca 0.18 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2iei h GLU 110 Cb 0.40 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 2iei h GLU 110 CO 0.01 0.50 0.02 0.00 -1.18 0.00 0.00 179.01 178.36 2iei h ALA 111 N 0.84 0.18 -0.04 2.92 0.00 -1.17 -1.10 119.26 120.90 2iei h ALA 111 Ca 0.07 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2iei h ALA 111 Cb 0.32 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2iei h ALA 111 CO 0.00 -0.41 -0.56 1.79 0.00 0.00 0.00 179.25 180.07 2iei h THR 112 N 0.09 1.39 0.28 0.00 1.35 -1.33 -2.73 112.91 111.95 2iei h THR 112 Ca 0.09 -1.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.04 2iei h THR 112 Cb 0.10 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2iei h THR 112 CO -0.14 0.55 -0.14 0.22 -0.25 0.00 0.00 175.52 175.77 2iei h TYR 113 N 0.09 -0.35 -0.03 4.73 3.20 -0.89 0.44 116.97 124.16 2iei h TYR 113 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2iei h TYR 113 Cb 1.02 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 2iei h TYR 113 CO 0.01 -0.21 0.04 1.96 -1.64 0.00 0.00 178.16 178.32 2iei h GLN 114 N -0.39 0.00 -0.17 1.82 4.20 -1.17 0.11 115.11 119.51 2iei h GLN 114 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2iei h GLN 114 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2iei h GLN 114 CO 0.06 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.50 2iei n LEU 115 N -3.66 1.90 0.00 1.46 4.77 -0.92 -4.94 117.00 115.61 2iei n LEU 115 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 2iei n LEU 115 Cb 0.12 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2iei n LEU 115 CO 0.25 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2iei n GLY 116 N 1.19 0.46 3.33 -0.72 0.00 0.39 -5.04 105.19 104.79 2iei n GLY 116 Ca 0.17 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.20 -0.44 0.99 1.43 0.15 -5.00 118.68 118.01 2iei s LEU 117 Ca 0.00 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 2iei s LEU 117 Cb 0.00 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 45.05 2iei s LEU 117 CO 0.00 0.22 0.57 -0.62 0.23 0.00 0.00 176.35 176.75 2iei s ASP 118 N -1.38 6.27 0.36 2.29 -1.08 -1.26 -3.23 116.67 118.65 2iei s ASP 118 Ca 0.11 -0.50 0.06 0.00 -0.52 0.00 0.00 52.55 51.70 2iei s ASP 118 Cb -0.10 -2.29 0.74 0.00 -1.46 0.00 0.00 42.92 39.82 2iei s ASP 118 CO 0.03 -0.72 1.98 -0.03 0.52 0.00 0.00 175.17 176.94 2iei h MET 119 N 8.84 0.73 0.00 4.34 4.05 -1.91 -1.80 114.93 129.18 2iei h MET 119 Ca -0.26 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.01 2iei h MET 119 Cb 1.10 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 2iei h MET 119 CO 0.87 0.48 -0.51 0.93 0.23 0.00 0.00 176.91 178.91 2iei h GLU 120 N 0.75 0.00 -0.10 0.39 5.08 -1.99 -1.58 114.58 117.13 2iei h GLU 120 Ca 0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2iei h GLU 120 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2iei h GLU 120 CO -0.09 0.51 -0.54 0.93 -1.00 0.00 0.00 179.01 178.82 2iei h GLU 121 N 0.00 0.29 -0.40 2.33 4.39 -1.76 -3.00 114.58 116.44 2iei h GLU 121 Ca -0.01 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 2iei h GLU 121 Cb 0.92 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2iei h GLU 121 CO 0.07 0.76 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.41 2iei h LEU 122 N 0.23 0.86 -1.89 1.33 3.38 -1.10 -3.08 115.31 115.03 2iei h LEU 122 Ca 0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2iei h LEU 122 Cb 1.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2iei h LEU 122 CO 0.09 1.07 -0.06 -0.33 0.09 0.00 0.00 178.44 179.30 2iei h GLU 123 N 0.64 0.00 0.00 1.13 5.08 -1.25 -2.39 114.58 117.78 2iei h GLU 123 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2iei h GLU 123 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2iei h GLU 123 CO 0.06 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 178.52 2iei n GLU 124 N -4.46 0.06 0.00 2.33 -0.58 -1.14 -2.93 120.64 113.93 2iei n GLU 124 Ca -0.03 0.23 -0.19 0.00 -0.42 0.00 0.00 57.16 56.76 2iei n GLU 124 Cb 0.14 -1.60 -0.09 0.00 -0.57 0.00 0.00 31.44 29.32 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 1.27 -2.93 -3.67 5.03 -1.53 -3.46 117.51 112.23 2iei h ILE 125 Ca 0.00 -2.09 -0.56 0.00 -0.12 0.00 0.00 64.86 62.09 2iei h ILE 125 Cb 0.36 2.15 0.08 0.00 -3.03 0.00 0.00 36.82 36.38 2iei h ILE 125 CO 0.00 0.66 0.76 1.21 -0.68 0.00 0.00 178.15 180.09 2iei n GLU 126 N -3.90 2.37 -3.00 2.37 2.13 -1.15 -4.98 120.64 114.48 2iei n GLU 126 Ca -0.09 0.84 -0.35 0.00 0.66 0.00 0.00 57.16 58.23 2iei n GLU 126 Cb 0.81 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.89 2iei n GLU 126 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2iei s GLU 127 N -0.33 4.24 0.42 5.31 2.56 -1.26 -4.99 118.70 124.64 2iei s GLU 127 Ca 0.67 0.94 -0.26 0.00 0.00 0.00 0.00 54.97 56.32 2iei s GLU 127 Cb -0.58 -2.63 -0.09 0.00 2.00 0.00 0.00 34.13 32.84 2iei s GLU 127 CO 0.48 0.24 1.36 -0.51 -0.56 0.00 0.00 175.26 176.27 2iei s ASP 128 N -1.90 6.15 -0.88 -1.70 1.11 -1.26 -4.56 116.67 113.63 2iei s ASP 128 Ca 0.51 2.79 -0.22 0.00 0.18 0.00 0.00 52.55 55.80 2iei s ASP 128 Cb -0.14 -2.65 0.08 0.00 1.07 0.00 0.00 42.92 41.28 2iei s ASP 128 CO 0.19 -0.97 1.21 0.00 1.18 0.00 0.00 175.17 176.78 2iei s ALA 129 N -1.23 3.03 -1.11 5.23 0.00 0.31 -4.90 121.76 123.10 2iei s ALA 129 Ca 0.58 -2.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 2iei s ALA 129 Cb -0.41 -4.19 0.27 0.00 0.00 0.00 0.00 23.12 18.79 2iei s ALA 129 CO 0.53 -3.18 1.97 0.41 0.00 0.00 0.00 175.76 175.49 2iei n GLY 130 N 5.88 5.88 1.90 0.00 0.00 -1.26 -2.02 105.19 115.57 2iei n GLY 130 Ca 0.18 -2.44 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 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 0.46 6.12 -3.75 0.99 4.77 -1.23 -0.17 117.00 124.19 2iei n LEU 131 Ca 0.51 -3.22 -0.10 0.00 -0.03 0.00 0.00 56.01 53.17 2iei n LEU 131 Cb 0.26 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 2iei n LEU 131 CO 0.57 1.08 0.14 -0.83 -1.33 0.00 0.00 177.39 177.02 2iei s GLY 132 N -0.42 -0.03 -0.16 -0.72 0.00 -1.26 -1.53 107.32 103.19 2iei s GLY 132 Ca 0.38 -0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.66 2iei s GLY 132 CO 0.03 -0.44 0.25 0.70 0.00 0.00 0.00 173.10 173.64 2iei n ASN 133 N -0.25 2.02 0.00 1.64 3.02 -1.26 -4.53 115.26 115.91 2iei n ASN 133 Ca -0.12 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2iei n ASN 133 Cb 0.63 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.79 2.09 0.16 7.41 0.00 -1.26 -4.92 105.19 110.46 2iei n GLY 134 Ca -0.34 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.32 -0.60 -0.02 0.00 -1.98 -0.97 103.07 99.17 2iei h GLY 135 Ca 0.00 0.12 0.15 0.00 0.00 0.00 0.00 47.33 47.60 2iei h GLY 135 CO 0.00 -0.12 -0.25 -2.00 0.00 0.00 0.00 176.54 174.18 2iei h LEU 136 N -0.48 -0.90 -0.16 3.11 6.46 -1.98 0.72 115.31 122.08 2iei h LEU 136 Ca -0.03 0.24 -0.23 0.00 -0.12 0.00 0.00 57.88 57.74 2iei h LEU 136 Cb 0.36 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2iei h LEU 136 CO 0.05 -0.28 -0.94 1.23 -0.62 0.00 0.00 178.44 177.89 2iei h GLY 137 N -0.03 0.51 1.47 3.75 0.00 -1.79 -2.82 103.07 104.15 2iei h GLY 137 Ca 0.35 -0.88 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 2iei h GLY 137 CO -0.81 0.78 -0.04 -0.09 0.00 0.00 0.00 176.54 176.38 2iei h ARG 138 N 0.26 0.64 -0.23 4.80 1.12 -0.38 -1.23 114.38 119.37 2iei h ARG 138 Ca -0.08 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 58.61 2iei h ARG 138 Cb 1.57 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.45 2iei h ARG 138 CO 0.17 0.69 0.12 1.25 -3.11 0.00 0.00 179.97 179.08 2iei h LEU 139 N 0.60 0.29 -0.86 3.80 5.85 0.53 -1.05 115.31 124.48 2iei h LEU 139 Ca 0.12 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.87 2iei h LEU 139 Cb 0.44 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 2iei h LEU 139 CO 0.02 0.31 0.46 0.00 -0.34 0.00 0.00 178.44 178.89 2iei h ALA 140 N 0.99 1.28 -0.09 1.25 0.00 -1.37 0.61 119.26 121.92 2iei h ALA 140 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2iei h ALA 140 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2iei h ALA 140 CO -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.19 2iei h ALA 141 N 1.54 0.12 -0.79 0.00 0.00 -1.19 -1.68 119.26 117.26 2iei h ALA 141 Ca 0.46 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2iei h ALA 141 Cb 0.60 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2iei h ALA 141 CO -0.34 -0.16 0.53 0.00 0.00 0.00 0.00 179.25 179.28 2iei h PHE 143 N 1.05 1.01 -0.73 0.00 -1.00 -0.70 -0.92 116.94 115.64 2iei h PHE 143 Ca 0.30 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 2iei h PHE 143 Cb -0.08 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.15 2iei h PHE 143 CO -0.00 0.80 0.43 -0.07 -1.61 0.00 0.00 178.31 177.86 2iei h LEU 144 N 0.92 0.89 0.10 1.54 3.38 -1.10 -1.25 115.31 119.78 2iei h LEU 144 Ca 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2iei h LEU 144 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2iei h LEU 144 CO -0.01 0.70 -0.05 -0.78 0.09 0.00 0.00 178.44 178.39 2iei h ASP 145 N 1.00 -0.11 -0.96 -0.43 3.58 -1.33 -2.45 116.42 115.72 2iei h ASP 145 Ca 0.26 -0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.62 2iei h ASP 145 Cb -0.01 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.00 2iei h ASP 145 CO -0.05 0.09 0.61 0.28 -2.88 0.00 0.00 179.24 177.30 2iei h SER 146 N -0.31 0.97 0.57 2.28 0.02 -1.04 -1.68 113.55 114.36 2iei h SER 146 Ca -0.01 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2iei h SER 146 Cb 0.26 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2iei h SER 146 CO 0.02 0.61 -0.47 0.24 -1.14 0.00 0.00 176.83 176.09 2iei h MET 147 N 1.10 0.00 -0.13 3.45 2.86 -1.14 0.52 114.93 121.60 2iei h MET 147 Ca 0.42 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.83 2iei h MET 147 Cb 0.20 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.87 2iei h MET 147 CO -0.18 0.47 -0.82 0.00 1.06 0.00 0.00 176.91 177.43 2iei h ALA 148 N 1.53 0.29 0.00 6.32 0.00 -1.15 -0.22 119.26 126.03 2iei h ALA 148 Ca -0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 2iei h ALA 148 Cb 0.88 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2iei h ALA 148 CO 0.06 0.69 -0.52 1.15 0.00 0.00 0.00 179.25 180.63 2iei h THR 149 N 0.51 1.13 -0.51 0.00 2.02 -0.74 -2.35 112.91 112.96 2iei h THR 149 Ca -0.07 -1.95 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2iei h THR 149 Cb 1.46 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 2iei h THR 149 CO 0.17 0.51 0.00 0.18 0.37 0.00 0.00 175.52 176.75 2iei n LEU 150 N -3.57 4.63 -2.33 2.58 4.77 0.12 -4.50 117.00 118.71 2iei n LEU 150 Ca -0.00 -2.35 -0.18 0.00 -0.03 0.00 0.00 56.01 53.45 2iei n LEU 150 Cb 0.61 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2iei n LEU 150 CO 0.40 0.62 -0.23 0.61 -1.33 0.00 0.00 177.39 177.46 2iei n GLY 151 N 0.73 -0.30 3.81 -0.72 0.00 -0.88 -1.16 105.19 106.67 2iei n GLY 151 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.78 4.41 -1.19 0.99 1.43 -0.11 -4.76 118.68 113.66 2iei s LEU 152 Ca 0.00 1.37 -0.19 0.00 -1.03 0.00 0.00 54.13 54.28 2iei s LEU 152 Cb 0.00 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 2iei s LEU 152 CO 0.00 0.11 1.95 0.00 0.23 0.00 0.00 176.35 178.64 2iei n ALA 153 N 1.01 3.61 -2.71 4.21 0.00 -1.26 -4.65 120.51 120.71 2iei n ALA 153 Ca -0.05 -3.54 -0.33 0.00 0.00 0.00 0.00 53.44 49.52 2iei n ALA 153 Cb 0.51 -3.57 -0.13 0.00 0.00 0.00 0.00 19.45 16.25 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 5.71 2.66 -0.04 0.00 0.00 -1.26 -1.88 121.76 126.96 2iei s ALA 154 Ca 0.56 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.65 2iei s ALA 154 Cb 0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2iei s ALA 154 CO 0.06 0.44 -0.24 0.71 0.00 0.00 0.00 175.76 176.73 2iei s TYR 155 N -0.32 2.22 -0.19 0.00 1.51 -0.06 -3.97 117.35 116.55 2iei s TYR 155 Ca 0.03 -0.55 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 2iei s TYR 155 Cb -0.13 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 2iei s TYR 155 CO 0.03 -0.13 0.09 0.20 -1.11 0.00 0.00 175.55 174.63 2iei s GLY 156 N -0.33 1.96 -0.08 0.71 0.00 -0.63 -1.00 107.32 107.95 2iei s GLY 156 Ca 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.07 2iei s GLY 156 CO 0.01 0.08 -0.23 -0.19 0.00 0.00 0.00 173.10 172.77 2iei s TYR 157 N 0.34 2.33 0.00 1.90 2.02 -0.54 0.75 117.35 124.15 2iei s TYR 157 Ca 0.05 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2iei s TYR 157 Cb -0.12 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 2iei s TYR 157 CO -0.01 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 2iei n GLY 158 N 3.29 2.59 3.55 0.71 0.00 -0.74 -2.13 105.19 112.45 2iei n GLY 158 Ca -0.19 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.78 3.42 -1.09 -0.61 1.01 -1.26 -1.34 121.20 118.55 2iei s ILE 159 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2iei s ILE 159 Cb 0.00 -2.42 0.14 0.00 0.01 0.00 0.00 42.46 40.19 2iei s ILE 159 CO 0.00 0.50 1.33 -0.60 0.00 0.00 0.00 174.94 176.16 2iei s ARG 160 N -1.07 3.87 0.16 2.79 3.52 -0.06 -4.71 118.95 123.44 2iei s ARG 160 Ca 0.14 -2.16 -0.31 0.00 -0.13 0.00 0.00 55.73 53.27 2iei s ARG 160 Cb -0.11 -5.04 -0.11 0.00 -1.56 0.00 0.00 34.95 28.13 2iei s ARG 160 CO 0.04 -1.81 1.73 0.71 -0.81 0.00 0.00 175.30 175.15 2iei s TYR 161 N 2.31 2.62 0.37 5.12 2.02 -1.26 -4.74 117.35 123.79 2iei s TYR 161 Ca 0.39 0.25 0.06 0.00 -0.37 0.00 0.00 57.07 57.41 2iei s TYR 161 Cb -0.03 -4.11 0.72 0.00 -0.40 0.00 0.00 41.96 38.14 2iei s TYR 161 CO -0.04 -4.34 1.93 1.49 -1.57 0.00 0.00 175.55 173.02 2iei h GLU 162 N 7.57 0.45 -4.67 -0.62 4.81 -0.66 -3.40 114.58 118.06 2iei h GLU 162 Ca -0.44 -0.08 -0.60 0.00 -0.13 0.00 0.00 59.36 58.12 2iei h GLU 162 Cb 1.21 -0.07 -0.36 0.00 0.63 0.00 0.00 28.75 30.16 2iei h GLU 162 CO 0.95 0.46 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.79 2iei s PHE 163 N -5.03 2.09 0.00 0.92 0.08 0.11 -4.29 117.98 111.85 2iei s PHE 163 Ca -0.07 -1.12 0.00 0.00 0.12 0.00 0.00 56.93 55.86 2iei s PHE 163 Cb 0.16 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 2iei s PHE 163 CO 0.75 -0.61 0.00 0.41 -0.10 0.00 0.00 175.22 175.67 2iei n GLY 164 N 4.62 -0.13 3.73 4.36 0.00 -1.17 -2.15 105.19 114.45 2iei n GLY 164 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 0.63 -1.58 -0.61 0.13 0.76 -4.48 119.36 114.22 2iei n ILE 165 Ca 0.00 -0.16 -0.43 0.00 -1.10 0.00 0.00 62.75 61.06 2iei n ILE 165 Cb 0.00 -1.90 -0.00 0.00 -0.84 0.00 0.00 39.64 36.90 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 2.77 0.96 -2.53 9.51 1.16 -1.26 -4.55 117.46 123.52 2iei n PHE 166 Ca 0.12 0.63 -0.42 0.00 -1.87 0.00 0.00 57.45 55.91 2iei n PHE 166 Cb 0.35 -2.20 -0.03 0.00 -1.61 0.00 0.00 39.48 35.99 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 -0.70 7.22 -0.20 5.98 0.01 0.09 -4.90 114.94 122.45 2iei s ASN 167 Ca 0.61 1.95 -0.09 0.00 -0.71 0.00 0.00 52.86 54.63 2iei s ASN 167 Cb -0.62 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.41 2iei s ASN 167 CO 0.58 -0.32 0.10 -1.58 -1.51 0.00 0.00 177.10 174.37 2iei s GLN 168 N 0.52 4.03 0.01 -0.60 0.74 -1.26 -1.07 119.66 122.04 2iei s GLN 168 Ca 0.54 -0.30 0.07 0.00 0.05 0.00 0.00 55.36 55.71 2iei s GLN 168 Cb -0.27 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 2iei s GLN 168 CO 0.31 0.22 -0.19 0.15 -0.55 0.00 0.00 175.29 175.22 2iei s LYS 169 N 0.56 2.14 -0.33 1.67 -0.14 -0.75 -3.76 119.74 119.12 2iei s LYS 169 Ca 0.05 -0.92 -0.11 0.00 -1.36 0.00 0.00 55.97 53.63 2iei s LYS 169 Cb -0.12 -2.19 -0.01 0.00 -1.68 0.00 0.00 37.83 33.83 2iei s LYS 169 CO 0.01 0.56 0.20 0.42 -0.76 0.00 0.00 175.35 175.77 2iei s ILE 170 N -0.83 4.90 -0.15 2.17 -1.09 -1.26 -0.11 121.20 124.83 2iei s ILE 170 Ca 0.13 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2iei s ILE 170 Cb -0.10 -3.54 0.03 0.00 -1.58 0.00 0.00 42.46 37.26 2iei s ILE 170 CO 0.03 -0.02 -0.12 0.00 -1.23 0.00 0.00 174.94 173.60 2iei n GLY 172 N 4.80 0.79 2.41 0.00 0.00 -1.26 -1.48 105.19 110.45 2iei n GLY 172 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 0.84 3.64 -0.02 0.00 -1.26 -5.04 105.19 102.36 2iei n GLY 173 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.31 2.97 -0.08 1.61 0.52 -0.55 -3.77 118.94 116.33 2iei s TRP 174 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 56.10 55.83 2iei s TRP 174 Cb 0.00 -1.61 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2iei s TRP 174 CO 0.00 0.42 1.51 -1.14 0.02 0.00 0.00 176.95 177.77 2iei s GLN 175 N -1.63 4.20 -0.06 4.98 0.74 -1.26 -1.02 119.66 125.61 2iei s GLN 175 Ca 0.19 2.01 -0.03 0.00 0.05 0.00 0.00 55.36 57.58 2iei s GLN 175 Cb -0.11 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.07 2iei s GLN 175 CO 0.10 -0.78 0.09 -1.64 -0.55 0.00 0.00 175.29 172.50 2iei s MET 176 N 3.75 3.19 -0.21 1.67 -1.94 0.84 -4.94 119.30 121.66 2iei s MET 176 Ca 0.67 -0.34 -0.06 0.00 -1.71 0.00 0.00 55.69 54.25 2iei s MET 176 Cb -0.30 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 2iei s MET 176 CO 0.25 0.71 0.02 -1.21 -0.01 0.00 0.00 175.02 174.78 2iei s GLU 177 N -1.28 3.68 0.05 2.03 8.01 -1.26 -1.82 118.70 128.11 2iei s GLU 177 Ca 0.18 -0.48 0.09 0.00 0.01 0.00 0.00 54.97 54.77 2iei s GLU 177 Cb -0.12 -3.15 -0.03 0.00 -4.31 0.00 0.00 34.13 26.52 2iei s GLU 177 CO 0.08 0.02 -0.26 -1.21 0.01 0.00 0.00 175.26 173.90 2iei s GLU 178 N 1.01 1.71 0.25 1.61 2.02 -0.23 -5.00 118.70 120.06 2iei s GLU 178 Ca 0.03 -1.10 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 2iei s GLU 178 Cb -0.14 -1.90 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 2iei s GLU 178 CO 0.02 0.49 1.53 0.00 0.02 0.00 0.00 175.26 177.32 2iei s ALA 179 N -0.82 3.71 -1.28 5.21 0.00 -1.26 -0.73 121.76 126.59 2iei s ALA 179 Ca 0.11 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.36 2iei s ALA 179 Cb -0.10 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.54 2iei s ALA 179 CO 0.02 -0.84 1.71 -3.47 0.00 0.00 0.00 175.76 173.18 2iei n ASP 180 N 2.60 4.94 -3.23 0.00 2.03 -1.26 -4.68 116.55 116.95 2iei n ASP 180 Ca 0.09 -2.97 -0.30 0.00 0.52 0.00 0.00 54.79 52.13 2iei n ASP 180 Cb 0.39 -1.61 -0.02 0.00 -0.72 0.00 0.00 41.12 39.15 2iei n ASP 180 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2iei n ASP 181 N 6.13 6.80 0.29 1.67 2.03 -1.26 -3.05 116.55 129.17 2iei n ASP 181 Ca 0.43 -2.44 0.19 0.00 0.52 0.00 0.00 54.79 53.49 2iei n ASP 181 Cb 0.42 -1.32 0.89 0.00 -0.72 0.00 0.00 41.12 40.39 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 5.65 0.00 -0.02 -0.67 5.08 -1.90 -2.22 115.95 121.87 2iei h TRP 182 Ca 0.68 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.65 2iei h TRP 182 Cb 0.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 2iei h TRP 182 CO 1.92 0.00 -0.00 1.28 -1.28 0.00 0.00 178.44 180.36 2iei n LEU 183 N -3.02 2.01 -0.30 0.11 4.77 -1.26 -4.63 117.00 114.68 2iei n LEU 183 Ca -0.01 -0.67 0.08 0.00 -0.03 0.00 0.00 56.01 55.38 2iei n LEU 183 Cb 0.20 -0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.49 2iei n LEU 183 CO 0.23 0.34 0.79 -0.09 -1.33 0.00 0.00 177.39 177.33 2iei h ARG 184 N 3.16 0.06 -0.48 3.23 2.43 -1.78 -0.14 114.38 120.86 2iei h ARG 184 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2iei h ARG 184 Cb 0.67 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2iei h ARG 184 CO 0.00 0.04 0.00 0.66 -1.51 0.00 0.00 179.97 179.16 2iei n TYR 185 N -5.43 1.33 0.00 2.20 4.01 -1.26 -5.07 117.16 112.94 2iei n TYR 185 Ca 0.17 -0.70 0.00 0.00 -0.16 0.00 0.00 57.90 57.20 2iei n TYR 185 Cb 0.57 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.44 -0.57 3.20 2.72 0.00 -0.07 -4.96 105.19 105.96 2iei n GLY 186 Ca 0.23 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.54 5.34 0.50 1.61 2.47 -1.26 -4.95 114.94 117.11 2iei s ASN 187 Ca 0.00 -1.58 0.32 0.00 0.42 0.00 0.00 52.86 52.02 2iei s ASN 187 Cb 0.00 -1.87 1.33 0.00 -1.45 0.00 0.00 41.25 39.26 2iei s ASN 187 CO 0.00 -0.46 1.94 -0.65 -3.72 0.00 0.00 177.10 174.21 2iei h PRO 188 N 8.20 0.00 -0.41 0.43 0.11 -2.00 -3.13 132.00 135.20 2iei h PRO 188 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2iei h PRO 188 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2iei h PRO 188 CO 0.68 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.38 2iei n TRP 189 N -2.92 0.54 -4.48 0.65 7.02 -1.26 -4.84 117.44 112.15 2iei n TRP 189 Ca 0.01 -0.27 -0.29 0.00 -1.02 0.00 0.00 57.50 55.92 2iei n TRP 189 Cb 0.28 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.04 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 -1.46 1.48 -0.24 -0.99 -1.05 -1.19 -4.24 118.70 111.01 2iei s GLU 190 Ca 0.31 -1.31 0.01 0.00 -0.15 0.00 0.00 54.97 53.84 2iei s GLU 190 Cb 0.17 -1.92 0.06 0.00 -0.44 0.00 0.00 34.13 32.00 2iei s GLU 190 CO 0.22 0.46 -0.04 0.21 0.95 0.00 0.00 175.26 177.06 2iei s LYS 191 N -1.92 1.58 0.43 -4.83 2.47 0.11 -4.94 119.74 112.65 2iei s LYS 191 Ca 0.14 -1.04 -0.25 0.00 -1.56 0.00 0.00 55.97 53.26 2iei s LYS 191 Cb -0.10 -2.60 -0.09 0.00 -1.46 0.00 0.00 37.83 33.58 2iei s LYS 191 CO 0.05 -0.63 1.33 0.00 0.16 0.00 0.00 175.35 176.26 2iei n ALA 192 N 4.66 1.56 -3.60 3.13 0.00 -1.26 -0.79 120.51 124.21 2iei n ALA 192 Ca -0.11 0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 2iei n ALA 192 Cb 0.44 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 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 -0.02 1.43 0.01 0.00 5.12 0.01 -4.87 116.66 118.34 2iei n ARG 193 Ca 0.06 -4.06 0.04 0.00 -1.93 0.00 0.00 57.85 51.96 2iei n ARG 193 Cb 0.40 -2.01 0.42 0.00 -1.16 0.00 0.00 32.46 30.11 2iei n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2iei h PRO 194 N 5.06 0.52 0.00 5.56 0.13 -1.94 -2.34 132.00 138.98 2iei h PRO 194 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2iei h PRO 194 Cb 0.79 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2iei h PRO 194 CO 0.63 0.37 0.02 1.05 -0.23 0.00 0.00 178.00 179.83 2iei h GLU 195 N 0.53 0.00 -0.38 0.86 9.09 -1.96 -2.06 114.58 120.65 2iei h GLU 195 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 2iei h GLU 195 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 2iei h GLU 195 CO -0.03 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.22 2iei n PHE 196 N -2.92 1.04 -1.83 2.06 3.72 -0.88 -5.00 117.46 113.65 2iei n PHE 196 Ca -0.03 -0.73 -0.41 0.00 -0.05 0.00 0.00 57.45 56.23 2iei n PHE 196 Cb 0.08 -0.26 -0.01 0.00 -0.94 0.00 0.00 39.48 38.35 2iei n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2iei s THR 197 N -2.23 2.18 0.06 4.37 2.01 -0.78 -4.66 115.64 116.60 2iei s THR 197 Ca 0.41 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.61 2iei s THR 197 Cb 0.30 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2iei s THR 197 CO 0.14 0.03 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.21 2iei s LEU 198 N -0.82 2.27 -0.04 4.42 1.02 -0.85 -4.95 118.68 119.73 2iei s LEU 198 Ca 0.60 -0.59 -0.26 0.00 0.02 0.00 0.00 54.13 53.90 2iei s LEU 198 Cb -0.46 -0.42 -0.03 0.00 0.02 0.00 0.00 46.19 45.29 2iei s LEU 198 CO 0.50 -0.11 0.82 -2.16 0.02 0.00 0.00 176.35 175.43 2iei s PRO 199 N -1.67 4.49 -0.12 1.29 0.05 -1.26 -0.34 135.00 137.45 2iei s PRO 199 Ca -0.04 1.12 -0.02 0.00 0.05 0.00 0.00 61.00 62.11 2iei s PRO 199 Cb -0.10 -3.45 -0.03 0.00 0.05 0.00 0.00 34.50 30.97 2iei s PRO 199 CO 0.02 0.02 -0.06 0.08 0.05 0.00 0.00 177.00 177.11 2iei s VAL 200 N 0.88 3.74 0.01 -0.36 1.01 -0.01 -4.88 120.40 120.79 2iei s VAL 200 Ca 0.44 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2iei s VAL 200 Cb -0.19 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2iei s VAL 200 CO 0.23 0.54 0.03 -1.00 0.00 0.00 0.00 175.10 174.90 2iei s HIS 201 N -0.13 3.15 0.06 5.22 3.76 -1.26 -0.67 115.29 125.42 2iei s HIS 201 Ca 0.02 0.12 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 2iei s HIS 201 Cb -0.13 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 2iei s HIS 201 CO 0.03 0.50 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.30 2iei s PHE 202 N -1.15 0.66 0.00 1.40 0.08 0.60 -4.96 117.98 114.61 2iei s PHE 202 Ca 0.22 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.46 2iei s PHE 202 Cb -0.12 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 2iei s PHE 202 CO 0.13 -0.20 0.00 0.66 -0.10 0.00 0.00 175.22 175.71 2iei n TYR 203 N 0.57 0.00 -4.74 0.36 4.01 0.68 -0.54 117.16 117.50 2iei n TYR 203 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2iei n TYR 203 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.16 3.08 2.72 0.00 -1.25 -4.53 105.19 105.05 2iei n GLY 204 Ca 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 0.53 -0.23 1.61 1.70 -0.15 -4.81 118.95 117.61 2iei s ARG 205 Ca 0.00 -0.88 -0.18 0.00 -0.47 0.00 0.00 55.73 54.20 2iei s ARG 205 Cb 0.00 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2iei s ARG 205 CO 0.00 -0.11 0.49 0.08 -1.08 0.00 0.00 175.30 174.68 2iei s VAL 206 N -2.80 5.11 0.31 4.99 1.01 -1.26 -0.84 120.40 126.91 2iei s VAL 206 Ca -0.03 0.87 0.10 0.00 0.00 0.00 0.00 61.98 62.92 2iei s VAL 206 Cb -0.00 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2iei s VAL 206 CO -0.06 0.15 -0.14 -1.83 0.00 0.00 0.00 175.10 173.23 2iei s GLU 207 N 1.86 1.74 -0.17 2.72 -1.05 0.06 -4.97 118.70 118.88 2iei s GLU 207 Ca 0.22 -1.85 0.01 0.00 -0.15 0.00 0.00 54.97 53.19 2iei s GLU 207 Cb -0.15 -1.70 0.02 0.00 -0.44 0.00 0.00 34.13 31.85 2iei s GLU 207 CO 0.09 0.22 -0.18 -1.01 0.95 0.00 0.00 175.26 175.33 2iei s HIS 208 N -2.59 2.63 0.03 4.83 3.76 -1.26 -0.43 115.29 122.27 2iei s HIS 208 Ca 0.31 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.68 2iei s HIS 208 Cb -0.01 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.85 2iei s HIS 208 CO 0.16 -0.78 0.04 0.25 -0.85 0.00 0.00 174.74 173.56 2iei n THR 209 N 4.66 0.00 0.30 1.30 -2.24 -0.35 -5.00 114.28 112.95 2iei n THR 209 Ca -0.20 -0.10 0.17 0.00 -2.27 0.00 0.00 64.05 61.65 2iei n THR 209 Cb 0.50 -1.01 0.79 0.00 -2.10 0.00 0.00 70.33 68.51 2iei n THR 209 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2iei h SER 210 N 0.00 0.00 0.00 3.42 4.64 -2.02 -3.29 113.55 116.30 2iei h SER 210 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2iei h SER 210 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2iei h SER 210 CO 0.02 0.00 -0.86 0.00 -0.87 0.00 0.00 176.83 175.12 2iei n GLN 211 N -2.85 1.42 -3.60 4.77 6.02 -1.26 -5.12 117.38 116.76 2iei n GLN 211 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2iei n GLN 211 Cb 0.20 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.52 2iei n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2iei n GLY 212 N 2.11 -1.01 3.79 1.08 0.00 -1.24 -5.12 105.19 104.81 2iei n GLY 212 Ca -0.00 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.00 3.25 -0.02 4.61 0.00 -1.26 -1.21 121.76 126.13 2iei s ALA 213 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2iei s ALA 213 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2iei s ALA 213 CO 0.00 0.21 -0.08 0.21 0.00 0.00 0.00 175.76 176.11 2iei s LYS 214 N -2.16 0.77 -0.45 0.00 2.47 0.43 -4.78 119.74 116.03 2iei s LYS 214 Ca 0.50 -0.25 -0.18 0.00 -1.56 0.00 0.00 55.97 54.47 2iei s LYS 214 Cb -0.17 -0.74 0.03 0.00 -1.46 0.00 0.00 37.83 35.49 2iei s LYS 214 CO 0.22 0.11 0.50 -0.46 0.16 0.00 0.00 175.35 175.88 2iei s TRP 215 N 0.14 3.14 0.38 4.03 -0.00 -1.26 -0.76 118.94 124.60 2iei s TRP 215 Ca -0.02 -0.41 0.06 0.00 -0.00 0.00 0.00 56.10 55.73 2iei s TRP 215 Cb -0.07 -3.12 -0.07 0.00 -0.00 0.00 0.00 33.47 30.21 2iei s TRP 215 CO 0.00 -0.80 0.02 0.14 -0.00 0.00 0.00 176.95 176.31 2iei s VAL 216 N 2.30 1.77 -1.48 5.86 -7.23 -0.02 -4.82 120.40 116.77 2iei s VAL 216 Ca 0.13 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2iei s VAL 216 Cb -0.18 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2iei s VAL 216 CO 0.13 -0.01 0.00 -0.67 -0.31 0.00 0.00 175.10 174.24 2iei n ASP 217 N -0.88 -4.99 -4.88 4.85 -0.08 -1.26 -0.98 116.55 108.34 2iei n ASP 217 Ca -0.04 0.02 -0.30 0.00 -1.51 0.00 0.00 54.79 52.96 2iei n ASP 217 Cb 0.67 -4.08 0.01 0.00 2.34 0.00 0.00 41.12 40.06 2iei n ASP 217 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2iei s THR 218 N -2.82 4.72 -0.03 5.18 -4.23 -1.26 -3.89 115.64 113.31 2iei s THR 218 Ca 0.00 0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 61.01 2iei s THR 218 Cb 0.00 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 2iei s THR 218 CO 0.00 -1.06 0.57 -1.10 -0.54 0.00 0.00 174.62 172.49 2iei s GLN 219 N -5.08 4.30 -0.15 3.99 -0.21 0.30 -4.88 119.66 117.94 2iei s GLN 219 Ca 0.53 0.67 -0.07 0.00 0.02 0.00 0.00 55.36 56.51 2iei s GLN 219 Cb -0.11 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 2iei s GLN 219 CO 0.52 0.34 0.10 0.08 -2.12 0.00 0.00 175.29 174.21 2iei s VAL 220 N -0.05 5.18 -0.11 1.09 1.01 -1.26 -0.29 120.40 125.96 2iei s VAL 220 Ca 0.30 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2iei s VAL 220 Cb -0.17 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.93 2iei s VAL 220 CO 0.16 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.92 2iei s VAL 221 N -0.42 1.78 0.44 2.92 1.01 0.15 -4.42 120.40 121.86 2iei s VAL 221 Ca 0.11 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 2iei s VAL 221 Cb -0.12 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 2iei s VAL 221 CO 0.02 0.50 1.00 -0.76 0.00 0.00 0.00 175.10 175.86 2iei s LEU 222 N 0.76 3.98 -0.25 3.92 1.43 0.83 -0.83 118.68 128.52 2iei s LEU 222 Ca -0.10 1.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2iei s LEU 222 Cb -0.16 -4.43 0.04 0.00 0.03 0.00 0.00 46.19 41.67 2iei s LEU 222 CO 0.01 -0.53 -0.11 0.00 0.23 0.00 0.00 176.35 175.95 2iei s ALA 223 N -1.95 2.57 -0.32 4.21 0.00 0.54 -1.34 121.76 125.47 2iei s ALA 223 Ca 0.62 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2iei s ALA 223 Cb -0.15 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 2iei s ALA 223 CO 0.20 -0.95 0.17 1.41 0.00 0.00 0.00 175.76 176.59 2iei s MET 224 N 1.20 3.30 0.10 0.00 1.75 0.15 -2.01 119.30 123.79 2iei s MET 224 Ca -0.04 -0.75 -0.30 0.00 -1.25 0.00 0.00 55.69 53.35 2iei s MET 224 Cb -0.18 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.81 2iei s MET 224 CO -0.06 -0.46 0.99 -1.25 -0.65 0.00 0.00 175.02 173.59 2iei s PRO 225 N 1.62 4.65 -0.09 4.11 0.04 -1.26 -0.05 135.00 144.02 2iei s PRO 225 Ca 0.05 1.48 0.04 0.00 0.04 0.00 0.00 61.00 62.61 2iei s PRO 225 Cb -0.17 -3.38 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 2iei s PRO 225 CO 0.07 0.14 -0.23 0.71 0.04 0.00 0.00 177.00 177.73 2iei s TYR 226 N 0.20 2.43 -0.17 0.56 1.51 -0.00 -0.81 117.35 121.07 2iei s TYR 226 Ca 0.48 -0.95 -0.07 0.00 -1.01 0.00 0.00 57.07 55.52 2iei s TYR 226 Cb -0.24 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 2iei s TYR 226 CO 0.30 -0.37 0.07 -0.51 -1.11 0.00 0.00 175.55 173.92 2iei s ASP 227 N 0.29 5.70 -0.14 2.29 1.11 0.03 -0.32 116.67 125.63 2iei s ASP 227 Ca -0.16 0.13 -0.01 0.00 0.18 0.00 0.00 52.55 52.69 2iei s ASP 227 Cb -0.17 -1.95 -0.01 0.00 1.07 0.00 0.00 42.92 41.86 2iei s ASP 227 CO 0.08 0.21 -0.11 -0.89 1.18 0.00 0.00 175.17 175.63 2iei s THR 228 N 0.16 3.15 0.30 -1.27 2.01 -0.18 0.07 115.64 119.88 2iei s THR 228 Ca 0.05 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 2iei s THR 228 Cb -0.12 -2.34 -0.10 0.00 0.01 0.00 0.00 72.50 69.95 2iei s THR 228 CO 0.00 0.51 1.24 -2.16 -0.69 0.00 0.00 174.62 173.53 2iei s PRO 229 N 0.49 4.45 -0.38 4.92 0.04 -1.26 -1.37 135.00 141.89 2iei s PRO 229 Ca -0.08 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2iei s PRO 229 Cb -0.15 -3.12 0.11 0.00 0.04 0.00 0.00 34.50 31.37 2iei s PRO 229 CO 0.04 -0.07 0.10 0.08 0.04 0.00 0.00 177.00 177.19 2iei s VAL 230 N -1.01 2.36 0.32 -0.36 1.01 0.31 -4.89 120.40 118.15 2iei s VAL 230 Ca 0.48 -2.56 -0.27 0.00 0.00 0.00 0.00 61.98 59.64 2iei s VAL 230 Cb -0.37 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 2iei s VAL 230 CO 0.48 -0.64 1.02 -2.16 0.00 0.00 0.00 175.10 173.79 2iei s PRO 231 N 0.64 4.51 0.41 2.72 0.04 -1.26 -0.31 135.00 141.75 2iei s PRO 231 Ca 0.12 1.54 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 2iei s PRO 231 Cb -0.21 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 2iei s PRO 231 CO -0.06 0.17 0.70 0.20 0.04 0.00 0.00 177.00 178.04 2iei s GLY 232 N -1.33 1.63 -0.57 0.56 0.00 -0.10 -4.77 107.32 102.74 2iei s GLY 232 Ca 0.50 -0.52 -0.27 0.00 0.00 0.00 0.00 44.72 44.42 2iei s GLY 232 CO 0.31 -0.38 1.88 -0.47 0.00 0.00 0.00 173.10 174.44 2iei s TYR 233 N -2.47 1.65 -1.32 1.90 5.04 -1.26 -4.05 117.35 116.84 2iei s TYR 233 Ca 0.46 0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 2iei s TYR 233 Cb -0.10 -4.06 0.03 0.00 0.35 0.00 0.00 41.96 38.17 2iei s TYR 233 CO 0.38 -2.38 0.31 0.54 -1.34 0.00 0.00 175.55 173.05 2iei n ARG 234 N 9.08 -3.20 -0.01 4.97 3.00 -0.34 -4.84 116.66 125.31 2iei n ARG 234 Ca 0.22 0.67 0.01 0.00 -0.01 0.00 0.00 57.85 58.73 2iei n ARG 234 Cb 0.52 -5.37 0.01 0.00 0.00 0.00 0.00 32.46 27.62 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 -2.16 1.74 -0.87 0.55 6.94 -1.26 -4.91 115.26 115.29 2iei n ASN 235 Ca -0.10 -1.64 -0.11 0.00 -0.02 0.00 0.00 54.58 52.70 2iei n ASN 235 Cb 0.60 -0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 37.95 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 -0.20 -5.35 -4.75 0.53 3.02 -1.26 -0.87 115.26 106.39 2iei n ASN 236 Ca 0.01 0.28 -0.36 0.00 -0.03 0.00 0.00 54.58 54.48 2iei n ASN 236 Cb 0.18 -3.85 -0.07 0.00 -0.61 0.00 0.00 39.78 35.43 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 -2.10 5.35 -0.23 2.41 1.01 -1.26 -4.75 120.40 120.82 2iei s VAL 237 Ca 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 2iei s VAL 237 Cb 0.00 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.89 2iei s VAL 237 CO 0.00 0.43 -0.00 -0.69 0.00 0.00 0.00 175.10 174.84 2iei s VAL 238 N 0.23 1.15 0.22 2.92 1.01 -1.26 -0.92 120.40 123.75 2iei s VAL 238 Ca 0.14 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2iei s VAL 238 Cb -0.12 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.74 2iei s VAL 238 CO 0.02 -0.22 0.30 0.59 0.00 0.00 0.00 175.10 175.78 2iei n ASN 239 N 4.80 0.21 -4.02 3.32 3.02 0.57 -4.69 115.26 118.47 2iei n ASN 239 Ca -0.09 -1.22 -0.21 0.00 -0.03 0.00 0.00 54.58 53.02 2iei n ASN 239 Cb 0.45 -0.21 -0.16 0.00 -0.61 0.00 0.00 39.78 39.25 2iei n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2iei s THR 240 N -1.11 0.89 -0.30 3.41 2.01 -1.25 -0.53 115.64 118.75 2iei s THR 240 Ca 0.18 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 2iei s THR 240 Cb -0.01 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 2iei s THR 240 CO 0.12 0.28 0.12 -0.32 -0.69 0.00 0.00 174.62 174.13 2iei s MET 241 N 0.22 3.25 -0.31 4.92 1.75 -0.47 -1.60 119.30 127.07 2iei s MET 241 Ca -0.04 -0.76 -0.13 0.00 -1.25 0.00 0.00 55.69 53.50 2iei s MET 241 Cb -0.10 -3.48 -0.03 0.00 2.84 0.00 0.00 34.83 34.06 2iei s MET 241 CO 0.01 -0.42 0.29 0.50 -0.65 0.00 0.00 175.02 174.75 2iei s ARG 242 N 1.57 3.76 -0.16 4.11 3.52 0.23 -1.01 118.95 130.97 2iei s ARG 242 Ca 0.04 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 2iei s ARG 242 Cb -0.17 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 2iei s ARG 242 CO 0.05 -0.36 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.51 2iei s LEU 243 N 1.90 2.40 -0.05 -0.88 1.43 0.57 -1.79 118.68 122.26 2iei s LEU 243 Ca 0.10 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2iei s LEU 243 Cb -0.16 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 2iei s LEU 243 CO 0.11 0.07 0.55 0.26 0.23 0.00 0.00 176.35 177.57 2iei s TRP 244 N 0.90 3.62 -0.04 0.29 0.52 -0.45 -0.82 118.94 122.95 2iei s TRP 244 Ca -0.04 1.09 0.03 0.00 0.02 0.00 0.00 56.10 57.20 2iei s TRP 244 Cb -0.15 -2.59 -0.03 0.00 -1.15 0.00 0.00 33.47 29.55 2iei s TRP 244 CO -0.02 0.29 -0.10 -1.12 0.02 0.00 0.00 176.95 176.02 2iei s SER 245 N 0.11 4.38 0.12 2.95 0.01 0.92 -0.88 113.70 121.32 2iei s SER 245 Ca 0.30 -0.13 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 2iei s SER 245 Cb -0.17 -1.01 -0.07 0.00 0.21 0.00 0.00 66.02 64.99 2iei s SER 245 CO 0.15 0.33 0.79 0.00 0.41 0.00 0.00 173.24 174.92 2iei s ALA 246 N -0.83 3.40 -0.05 1.44 0.00 -1.26 0.31 121.76 124.77 2iei s ALA 246 Ca 0.13 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2iei s ALA 246 Cb -0.11 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.04 2iei s ALA 246 CO 0.03 0.18 0.11 0.21 0.00 0.00 0.00 175.76 176.29 2iei s LYS 247 N -0.66 0.06 0.36 0.00 2.20 -0.45 -4.69 119.74 116.56 2iei s LYS 247 Ca 0.38 0.31 -0.28 0.00 -0.36 0.00 0.00 55.97 56.02 2iei s LYS 247 Cb -0.22 -0.18 -0.10 0.00 -1.51 0.00 0.00 37.83 35.81 2iei s LYS 247 CO 0.25 -0.16 1.37 0.00 -0.36 0.00 0.00 175.35 176.46 2iei s ALA 248 N 1.08 3.49 0.03 3.13 0.00 -1.26 -0.12 121.76 128.10 2iei s ALA 248 Ca -0.09 1.37 -0.25 0.00 0.00 0.00 0.00 51.96 53.00 2iei s ALA 248 Cb -0.11 -3.53 -0.18 0.00 0.00 0.00 0.00 23.12 19.30 2iei s ALA 248 CO -0.05 -0.82 1.47 -1.35 0.00 0.00 0.00 175.76 175.01 2iei h PRO 249 N 3.13 -0.04 0.00 0.00 0.11 -1.96 -3.45 132.00 129.80 2iei h PRO 249 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2iei h PRO 249 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2iei h PRO 249 CO 0.64 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.07 2iei n GLY 261 N -0.39 0.00 0.14 -0.55 0.00 -1.26 -5.12 105.19 98.00 2iei n GLY 261 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 2iei n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2iei h TYR 262 N 0.00 0.14 -0.20 1.61 3.20 -2.06 -1.26 116.97 118.40 2iei h TYR 262 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2iei h TYR 262 Cb 0.00 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 2iei h TYR 262 CO 0.00 0.05 -0.05 0.82 -1.64 0.00 0.00 178.16 177.34 2iei h ILE 263 N 0.20 0.80 -0.40 1.81 1.08 -2.05 -1.66 117.51 117.28 2iei h ILE 263 Ca 0.14 -0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.54 2iei h ILE 263 Cb 0.13 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 2iei h ILE 263 CO -0.16 0.00 -0.01 -0.61 -0.69 0.00 0.00 178.15 176.68 2iei h GLN 264 N 0.00 0.64 -0.42 2.37 5.75 -1.94 -0.91 115.11 120.60 2iei h GLN 264 Ca 0.10 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2iei h GLN 264 Cb 0.15 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2iei h GLN 264 CO -0.21 0.67 0.27 0.00 -2.65 0.00 0.00 178.83 176.91 2iei h ALA 265 N 1.39 0.54 -0.30 3.38 0.00 -0.81 0.24 119.26 123.70 2iei h ALA 265 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2iei h ALA 265 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2iei h ALA 265 CO 0.02 -0.03 0.10 0.28 0.00 0.00 0.00 179.25 179.62 2iei h VAL 266 N 0.55 1.19 -0.63 0.00 2.07 -0.78 -3.05 116.25 115.60 2iei h VAL 266 Ca 0.16 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2iei h VAL 266 Cb -0.04 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2iei h VAL 266 CO -0.05 0.20 0.42 -0.07 0.02 0.00 0.00 177.57 178.09 2iei h LEU 267 N 0.32 0.72 0.00 2.57 3.38 -0.98 -2.62 115.31 118.70 2iei h LEU 267 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2iei h LEU 267 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2iei h LEU 267 CO -0.01 0.52 0.00 0.47 0.09 0.00 0.00 178.44 179.51 2iei n ASP 268 N -4.65 0.00 0.18 -0.43 8.00 0.82 -1.45 116.55 119.02 2iei n ASP 268 Ca 0.05 0.38 0.10 0.00 0.71 0.00 0.00 54.79 56.03 2iei n ASP 268 Cb 0.02 -0.40 0.63 0.00 -0.02 0.00 0.00 41.12 41.35 2iei n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2iei h ARG 269 N 0.00 0.05 -1.09 -1.24 3.08 -1.42 -2.17 114.38 111.60 2iei h ARG 269 Ca 0.00 -0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.36 2iei h ARG 269 Cb 0.06 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2iei h ARG 269 CO 0.00 0.04 0.78 -0.91 -1.07 0.00 0.00 179.97 178.80 2iei h ASN 270 N 0.06 0.04 0.06 7.04 2.35 -1.46 -2.78 115.58 120.88 2iei h ASN 270 Ca 0.07 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2iei h ASN 270 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2iei h ASN 270 CO -0.01 0.01 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.68 2iei h LEU 271 N 0.04 -0.07 -0.37 1.61 3.38 -1.63 0.34 115.31 118.61 2iei h LEU 271 Ca 0.53 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2iei h LEU 271 Cb 2.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 2iei h LEU 271 CO -0.03 0.21 0.09 0.00 0.09 0.00 0.00 178.44 178.79 2iei h ALA 272 N 0.56 0.48 0.00 1.53 0.00 -1.71 -3.13 119.26 116.98 2iei h ALA 272 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2iei h ALA 272 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2iei h ALA 272 CO 0.01 0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.35 2iei h GLU 273 N 0.44 0.00 -0.00 0.00 5.08 -1.32 -2.19 114.58 116.59 2iei h GLU 273 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2iei h GLU 273 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2iei h GLU 273 CO 0.00 0.00 0.04 -0.91 -1.00 0.00 0.00 179.01 177.14 2iei h ASN 274 N 0.00 0.00 -0.89 1.42 2.35 -0.27 -3.08 115.58 115.11 2iei h ASN 274 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2iei h ASN 274 Cb 0.39 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.68 2iei h ASN 274 CO 0.00 0.00 0.52 0.40 -1.65 0.00 0.00 177.43 176.70 2iei h ILE 275 N 0.00 0.86 -0.64 2.81 2.04 -1.56 -2.43 117.51 118.60 2iei h ILE 275 Ca 0.00 -0.28 -0.36 0.00 1.00 0.00 0.00 64.86 65.22 2iei h ILE 275 Cb 0.08 -0.02 -0.21 0.00 -0.74 0.00 0.00 36.82 35.92 2iei h ILE 275 CO -0.00 0.15 0.18 -1.54 0.00 0.00 0.00 178.15 176.94 2iei n SER 276 N -4.73 3.52 -0.00 1.72 3.41 -1.16 -4.68 113.62 111.70 2iei n SER 276 Ca 0.16 -3.74 -0.22 0.00 -0.26 0.00 0.00 58.87 54.81 2iei n SER 276 Cb 0.35 -0.71 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 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 1.18 0.24 -3.66 4.33 2.43 -1.55 -2.21 114.38 115.14 2iei h ARG 277 Ca 0.40 -0.41 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 2iei h ARG 277 Cb 1.93 0.15 -0.29 0.00 -0.42 0.00 0.00 29.97 31.34 2iei h ARG 277 CO 0.75 1.20 -0.71 0.54 -1.51 0.00 0.00 179.97 180.23 2iei s VAL 278 N -2.51 -0.01 0.07 0.20 0.11 -1.26 0.06 120.40 117.06 2iei s VAL 278 Ca -0.22 0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.58 2iei s VAL 278 Cb 0.06 -0.04 -0.07 0.00 -1.53 0.00 0.00 36.38 34.80 2iei s VAL 278 CO 0.75 0.02 1.32 -0.22 -3.33 0.00 0.00 175.10 173.65 2iei s LEU 279 N 0.27 4.36 0.01 2.54 2.96 -0.91 -4.99 118.68 122.92 2iei s LEU 279 Ca -0.02 2.17 -0.30 0.00 -0.22 0.00 0.00 54.13 55.75 2iei s LEU 279 Cb -0.03 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 2iei s LEU 279 CO -0.01 -0.60 1.58 -0.31 -1.32 0.00 0.00 176.35 175.69 2iei s TYR 280 N 1.34 2.42 -0.46 5.38 1.51 -1.26 -4.81 117.35 121.47 2iei s TYR 280 Ca 0.62 0.43 0.03 0.00 -1.01 0.00 0.00 57.07 57.14 2iei s TYR 280 Cb -0.33 -3.86 0.24 0.00 -0.11 0.00 0.00 41.96 37.90 2iei s TYR 280 CO 0.29 -3.44 1.10 -0.35 -1.11 0.00 0.00 175.55 172.03 2iei n PRO 281 N 6.00 1.86 -2.65 -1.71 -0.04 -1.26 -4.84 135.00 132.36 2iei n PRO 281 Ca 0.15 -1.01 -0.41 0.00 -0.04 0.00 0.00 63.50 62.20 2iei n PRO 281 Cb 0.42 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 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 -0.01 7.41 -0.02 3.54 0.02 -1.26 -4.57 114.94 120.05 2iei s ASN 282 Ca 0.18 1.90 -0.04 0.00 -1.02 0.00 0.00 52.86 53.88 2iei s ASN 282 Cb 0.15 -2.59 -0.01 0.00 0.02 0.00 0.00 41.25 38.81 2iei s ASN 282 CO 0.04 -0.13 -0.08 -0.67 0.02 0.00 0.00 177.10 176.28 2iei n ASP 283 N 2.68 0.72 -1.84 -1.22 -0.08 -1.26 -4.80 116.55 110.75 2iei n ASP 283 Ca 0.03 0.11 -0.01 0.00 -1.51 0.00 0.00 54.79 53.41 2iei n ASP 283 Cb 0.48 -0.39 0.33 0.00 2.34 0.00 0.00 41.12 43.87 2iei n ASP 283 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2iei n ASN 284 N -3.20 4.93 -4.06 1.67 3.02 -1.26 -4.98 115.26 111.38 2iei n ASN 284 Ca -0.03 -3.15 -0.12 0.00 -0.03 0.00 0.00 54.58 51.25 2iei n ASN 284 Cb 0.13 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.48 2iei n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2iei s PHE 285 N -2.93 0.64 -0.25 3.10 5.36 -1.26 -3.84 117.98 118.80 2iei s PHE 285 Ca 0.54 -0.56 -0.04 0.00 -0.96 0.00 0.00 56.93 55.91 2iei s PHE 285 Cb 0.42 -0.39 0.01 0.00 -0.34 0.00 0.00 43.02 42.73 2iei s PHE 285 CO 0.13 -0.11 -0.01 0.12 -1.46 0.00 0.00 175.22 173.89 2iei s PHE 286 N -1.67 3.05 -0.22 10.12 5.36 0.22 -4.80 117.98 130.04 2iei s PHE 286 Ca -0.08 -1.15 -0.06 0.00 -0.96 0.00 0.00 56.93 54.68 2iei s PHE 286 Cb -0.08 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 2iei s PHE 286 CO -0.01 -0.61 0.03 -1.21 -1.46 0.00 0.00 175.22 171.96 2iei s GLU 287 N 1.43 3.62 -0.12 10.12 2.02 -1.26 -4.97 118.70 129.55 2iei s GLU 287 Ca 0.03 -0.50 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 2iei s GLU 287 Cb -0.16 -3.18 -0.20 0.00 0.10 0.00 0.00 34.13 30.69 2iei s GLU 287 CO -0.02 -0.08 2.91 0.41 0.02 0.00 0.00 175.26 178.50 2iei n GLY 288 N 4.56 2.67 3.71 -1.39 0.00 -1.26 -4.91 105.19 108.57 2iei n GLY 288 Ca -0.17 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 1.56 4.56 0.35 1.61 3.01 -1.26 -4.96 119.74 124.61 2iei s LYS 289 Ca 0.53 1.36 0.02 0.00 -1.01 0.00 0.00 55.97 56.87 2iei s LYS 289 Cb 0.24 -3.45 0.62 0.00 -1.01 0.00 0.00 37.83 34.23 2iei s LYS 289 CO -0.00 -0.01 1.98 1.49 0.51 0.00 0.00 175.35 179.32 2iei h GLU 290 N 6.65 0.79 0.00 1.68 4.81 -2.00 -0.38 114.58 126.12 2iei h GLU 290 Ca -0.41 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2iei h GLU 290 Cb 1.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2iei h GLU 290 CO 0.75 0.56 -0.20 1.25 -0.73 0.00 0.00 179.01 180.63 2iei h LEU 291 N 0.80 0.00 -0.14 1.64 5.85 -1.99 -1.79 115.31 119.68 2iei h LEU 291 Ca 0.21 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 2iei h LEU 291 Cb -0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2iei h LEU 291 CO -0.04 0.20 -0.21 -0.09 -0.34 0.00 0.00 178.44 177.96 2iei h ARG 292 N 0.00 0.40 -0.92 1.25 1.12 -1.45 -1.97 114.38 112.81 2iei h ARG 292 Ca -0.00 -0.24 0.05 0.00 -1.11 0.00 0.00 59.98 58.68 2iei h ARG 292 Cb 0.36 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.29 2iei h ARG 292 CO 0.03 0.82 0.60 1.25 -3.11 0.00 0.00 179.97 179.56 2iei h LEU 293 N 0.01 0.96 -0.72 3.80 5.85 -1.23 -1.82 115.31 122.17 2iei h LEU 293 Ca 0.01 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2iei h LEU 293 Cb 0.78 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2iei h LEU 293 CO 0.05 0.64 0.27 0.11 -0.34 0.00 0.00 178.44 179.17 2iei h LYS 294 N 1.11 1.09 -0.29 1.25 1.57 -1.20 -1.10 116.57 118.99 2iei h LYS 294 Ca 0.38 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2iei h LYS 294 Cb 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2iei h LYS 294 CO -0.13 0.90 0.11 1.96 -0.57 0.00 0.00 179.45 181.72 2iei h GLN 295 N 1.04 0.23 -0.51 3.15 4.20 -0.79 0.87 115.11 123.30 2iei h GLN 295 Ca 0.24 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2iei h GLN 295 Cb 0.23 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2iei h GLN 295 CO -0.02 0.15 0.32 0.93 -0.67 0.00 0.00 178.83 179.55 2iei h GLU 296 N 0.24 0.69 -0.09 1.46 5.08 -0.97 -2.30 114.58 118.68 2iei h GLU 296 Ca 0.13 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.21 2iei h GLU 296 Cb 0.09 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.20 2iei h GLU 296 CO -0.13 0.49 -0.84 -0.92 -1.00 0.00 0.00 179.01 176.61 2iei h TYR 297 N 0.69 0.92 -0.29 4.33 3.20 -1.07 -2.91 116.97 121.84 2iei h TYR 297 Ca 0.19 -0.43 0.03 0.00 3.14 0.00 0.00 58.73 61.65 2iei h TYR 297 Cb -0.03 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 2iei h TYR 297 CO -0.03 1.25 -0.39 0.35 -1.64 0.00 0.00 178.16 177.70 2iei h PHE 298 N 0.43 -1.20 -0.73 -3.82 3.57 -0.63 0.20 116.94 114.76 2iei h PHE 298 Ca -0.07 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2iei h PHE 298 Cb 1.46 0.56 -0.05 0.00 2.79 0.00 0.00 35.95 40.71 2iei h PHE 298 CO 0.08 -0.34 0.45 -0.24 -2.23 0.00 0.00 178.31 176.03 2iei h VAL 299 N -0.28 1.07 -0.05 1.41 3.04 -1.50 -2.78 116.25 117.15 2iei h VAL 299 Ca 0.05 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2iei h VAL 299 Cb 0.42 0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2iei h VAL 299 CO -0.42 0.16 0.02 0.58 -1.01 0.00 0.00 177.57 176.90 2iei h VAL 300 N 0.87 1.16 -0.27 1.51 2.07 -1.27 -1.46 116.25 118.87 2iei h VAL 300 Ca 0.30 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2iei h VAL 300 Cb 0.07 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2iei h VAL 300 CO -0.13 0.14 0.10 0.00 0.02 0.00 0.00 177.57 177.69 2iei h ALA 301 N 0.83 0.35 -0.23 1.67 0.00 -0.58 -1.55 119.26 119.75 2iei h ALA 301 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2iei h ALA 301 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2iei h ALA 301 CO -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.22 2iei h ALA 302 N 0.94 0.30 -0.07 0.00 0.00 -1.56 -2.48 119.26 116.39 2iei h ALA 302 Ca 0.09 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2iei h ALA 302 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2iei h ALA 302 CO -0.01 0.02 -0.11 1.15 0.00 0.00 0.00 179.25 180.30 2iei h THR 303 N 0.17 0.69 -0.74 0.00 2.02 -1.24 -1.45 112.91 112.36 2iei h THR 303 Ca 0.07 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 2iei h THR 303 Cb 0.38 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2iei h THR 303 CO 0.01 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 176.04 2iei h LEU 304 N -0.16 1.09 -0.87 2.58 3.38 -1.30 0.64 115.31 120.68 2iei h LEU 304 Ca 0.07 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.94 2iei h LEU 304 Cb 0.25 -0.29 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2iei h LEU 304 CO -0.17 1.02 0.49 1.56 0.09 0.00 0.00 178.44 181.43 2iei h GLN 305 N 1.10 0.74 -0.12 1.13 4.20 -1.30 -1.84 115.11 119.01 2iei h GLN 305 Ca 0.24 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 2iei h GLN 305 Cb 0.33 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2iei h GLN 305 CO -0.00 0.49 -0.14 0.22 -0.67 0.00 0.00 178.83 178.72 2iei h ASP 306 N 0.76 0.34 -0.77 1.46 3.58 -0.09 -2.67 116.42 119.03 2iei h ASP 306 Ca 0.44 -0.50 0.07 0.00 0.42 0.00 0.00 57.03 57.47 2iei h ASP 306 Cb 0.51 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.40 2iei h ASP 306 CO -0.30 0.77 0.44 0.40 -2.88 0.00 0.00 179.24 177.67 2iei h ILE 307 N -0.08 0.96 -0.02 2.25 2.04 -0.78 -2.39 117.51 119.49 2iei h ILE 307 Ca 0.02 -0.27 -0.18 0.00 1.00 0.00 0.00 64.86 65.43 2iei h ILE 307 Cb 0.68 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2iei h ILE 307 CO 0.03 0.14 -0.78 0.40 0.00 0.00 0.00 178.15 177.95 2iei h ILE 308 N 0.79 1.46 -0.34 -0.67 2.04 -1.34 -2.21 117.51 117.24 2iei h ILE 308 Ca 0.35 -2.39 -0.05 0.00 1.00 0.00 0.00 64.86 63.78 2iei h ILE 308 Cb 0.25 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2iei h ILE 308 CO -0.21 0.70 0.03 -0.09 0.00 0.00 0.00 178.15 178.59 2iei h ARG 309 N 0.13 0.58 0.00 2.37 2.43 -1.18 -1.36 114.38 117.35 2iei h ARG 309 Ca -0.03 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 2iei h ARG 309 Cb 1.36 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2iei h ARG 309 CO 0.12 0.67 -0.35 0.00 -1.51 0.00 0.00 179.97 178.90 2iei h ARG 310 N 0.40 0.00 -0.21 0.20 3.08 -1.42 -1.36 114.38 115.06 2iei h ARG 310 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2iei h ARG 310 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2iei h ARG 310 CO 0.01 0.35 -0.02 0.35 -1.07 0.00 0.00 179.97 179.59 2iei h PHE 311 N 0.00 0.42 0.00 3.04 3.57 -1.23 -3.02 116.94 119.72 2iei h PHE 311 Ca -0.00 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 2iei h PHE 311 Cb 0.65 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2iei h PHE 311 CO 0.00 0.60 -0.16 0.87 -2.23 0.00 0.00 178.31 177.39 2iei h LYS 312 N 0.13 0.00 -1.20 1.11 1.79 -0.99 -3.51 116.57 113.90 2iei h LYS 312 Ca 0.06 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.13 2iei h LYS 312 Cb 0.44 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.90 2iei h LYS 312 CO 0.01 0.16 0.51 0.43 -1.08 0.00 0.00 179.45 179.48 2iei n SER 313 N -3.87 5.41 0.00 0.86 7.64 -0.54 -5.10 113.62 118.03 2iei n SER 313 Ca -0.02 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.67 2iei n SER 313 Cb 0.25 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2iei n SER 313 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2iei n ASN 325 N -0.28 0.00 -0.13 6.43 3.02 -1.26 -5.05 115.26 117.99 2iei n ASN 325 Ca 0.40 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 55.09 2iei n ASN 325 Cb 0.89 0.00 0.74 0.00 -0.61 0.00 0.00 39.78 40.80 2iei n ASN 325 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2iei n PHE 326 N 0.00 0.02 -0.04 3.10 3.72 -1.26 -3.29 117.46 119.70 2iei n PHE 326 Ca 0.00 -0.01 -0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2iei n PHE 326 Cb 0.00 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.61 0.57 0.04 4.37 3.32 -2.02 -2.91 116.42 120.40 2iei h ASP 327 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2iei h ASP 327 Cb 0.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2iei h ASP 327 CO 0.00 0.60 -0.04 0.00 -1.72 0.00 0.00 179.24 178.08 2iei n ALA 328 N -2.47 2.66 -0.14 3.45 0.00 -1.21 -4.32 120.51 118.48 2iei n ALA 328 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2iei n ALA 328 Cb 0.22 -1.21 0.04 0.00 0.00 0.00 0.00 19.45 18.50 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 1.85 -0.07 0.00 0.00 3.57 -1.69 -1.84 116.94 118.76 2iei h PHE 329 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2iei h PHE 329 Cb 0.44 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2iei h PHE 329 CO 0.00 -0.12 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.56 2iei h PRO 330 N 0.09 0.00 -0.00 6.41 0.11 -1.79 0.34 132.00 137.16 2iei h PRO 330 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2iei h PRO 330 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2iei h PRO 330 CO -0.40 0.05 -0.35 -0.25 -0.21 0.00 0.00 178.00 176.83 2iei n ASP 331 N -3.35 0.51 -0.00 -2.05 8.00 -0.73 -4.05 116.55 114.87 2iei n ASP 331 Ca -0.02 -0.27 0.02 0.00 0.71 0.00 0.00 54.79 55.23 2iei n ASP 331 Cb 0.20 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.37 2iei n ASP 331 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2iei n LYS 332 N -1.32 3.01 -4.16 -1.24 4.76 -0.73 -4.40 118.16 114.09 2iei n LYS 332 Ca 0.08 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.29 2iei n LYS 332 Cb 0.33 -0.86 -0.17 0.00 -1.84 0.00 0.00 35.03 32.49 2iei n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2iei s VAL 333 N -1.76 0.61 -0.12 -0.18 1.01 0.11 -0.70 120.40 119.36 2iei s VAL 333 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2iei s VAL 333 Cb 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2iei s VAL 333 CO 0.13 0.25 -0.21 0.00 0.00 0.00 0.00 175.10 175.28 2iei s ALA 334 N 1.04 2.31 -0.30 5.51 0.00 -0.08 -4.48 121.76 125.76 2iei s ALA 334 Ca -0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 2iei s ALA 334 Cb -0.14 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.03 2iei s ALA 334 CO -0.00 0.15 0.02 0.42 0.00 0.00 0.00 175.76 176.35 2iei s ILE 335 N 0.55 3.31 -0.26 0.00 1.01 -0.33 0.90 121.20 126.38 2iei s ILE 335 Ca -0.12 -1.13 -0.12 0.00 0.00 0.00 0.00 60.65 59.27 2iei s ILE 335 Cb -0.17 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2iei s ILE 335 CO 0.04 -0.03 0.23 -1.58 0.00 0.00 0.00 174.94 173.60 2iei s GLN 336 N 1.34 4.01 -0.51 2.79 2.00 -0.01 -1.58 119.66 127.70 2iei s GLN 336 Ca -0.02 -0.20 -0.19 0.00 -2.00 0.00 0.00 55.36 52.94 2iei s GLN 336 Cb -0.19 -3.62 0.06 0.00 0.80 0.00 0.00 33.01 30.06 2iei s GLN 336 CO -0.00 -0.13 0.64 -0.51 -0.50 0.00 0.00 175.29 174.79 2iei s LEU 337 N 1.60 4.94 -0.73 3.68 1.43 0.90 -1.27 118.68 129.24 2iei s LEU 337 Ca 0.09 -0.90 -0.26 0.00 -1.03 0.00 0.00 54.13 52.03 2iei s LEU 337 Cb -0.15 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2iei s LEU 337 CO 0.09 -0.92 1.51 0.21 0.23 0.00 0.00 176.35 177.47 2iei s ASN 338 N 2.73 5.85 0.66 2.29 2.47 -0.68 -1.33 114.94 126.92 2iei s ASN 338 Ca 0.16 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.16 2iei s ASN 338 Cb -0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 2iei s ASN 338 CO 0.12 -2.03 0.00 -0.67 -3.72 0.00 0.00 177.10 170.80 2iei n ASP 339 N 10.63 -3.51 -0.19 -4.21 -0.08 -0.43 -4.10 116.55 114.66 2iei n ASP 339 Ca 0.12 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.54 2iei n ASP 339 Cb 0.50 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.49 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 -1.03 0.00 -0.22 5.18 -2.24 -1.26 -4.34 114.28 110.37 2iei n THR 340 Ca 0.00 -0.10 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2iei n THR 340 Cb 0.00 0.12 0.11 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.95 0.56 -0.26 4.78 3.86 -1.95 0.63 115.15 123.71 2iei h HIS 341 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2iei h HIS 341 Cb 0.41 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 2iei h HIS 341 CO 0.00 0.21 0.01 -0.35 0.86 0.00 0.00 177.93 178.65 2iei n PRO 342 N -4.89 2.71 0.15 2.45 -0.04 -1.26 -4.59 135.00 129.52 2iei n PRO 342 Ca 0.09 -1.40 0.13 0.00 -0.04 0.00 0.00 63.50 62.29 2iei n PRO 342 Cb 0.25 -1.84 0.67 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.74 0.00 0.00 3.54 4.64 -1.12 -1.28 113.55 121.07 2iei h SER 343 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2iei h SER 343 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2iei h SER 343 CO 0.23 0.00 0.36 -0.07 -0.87 0.00 0.00 176.83 176.48 2iei h LEU 344 N 0.00 0.00 -1.86 5.97 4.07 -1.81 -1.74 115.31 119.94 2iei h LEU 344 Ca 0.11 0.00 0.11 0.00 0.08 0.00 0.00 57.88 58.18 2iei h LEU 344 Cb 0.44 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 2iei h LEU 344 CO -0.00 0.00 0.34 0.00 -1.08 0.00 0.00 178.44 177.70 2iei h ALA 345 N 1.22 2.25 0.74 1.53 0.00 -1.60 -0.32 119.26 123.08 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 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2iei h ALA 345 CO 0.00 -0.38 -0.35 0.82 0.00 0.00 0.00 179.25 179.34 2iei h ILE 346 N 0.16 0.00 0.00 0.00 2.04 -1.56 -0.12 117.51 118.02 2iei h ILE 346 Ca 0.23 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 2iei h ILE 346 Cb 0.71 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2iei h ILE 346 CO -0.03 0.00 -0.19 1.55 0.00 0.00 0.00 178.15 179.48 2iei h PRO 347 N -1.20 0.00 -0.22 2.37 0.13 -1.71 -2.39 132.00 128.98 2iei h PRO 347 Ca -0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.93 2iei h PRO 347 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2iei h PRO 347 CO 0.17 0.19 -0.27 1.49 -0.23 0.00 0.00 178.00 179.35 2iei h GLU 348 N 0.00 0.57 -0.63 0.86 4.57 -1.04 -0.09 114.58 118.82 2iei h GLU 348 Ca -0.00 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 2iei h GLU 348 Cb 0.42 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 2iei h GLU 348 CO 0.02 0.92 0.25 1.25 -1.18 0.00 0.00 179.01 180.27 2iei h LEU 349 N 0.26 0.88 -0.69 1.64 5.85 -0.94 -1.49 115.31 120.82 2iei h LEU 349 Ca 0.03 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2iei h LEU 349 Cb 0.83 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2iei h LEU 349 CO 0.06 0.81 0.38 0.24 -0.34 0.00 0.00 178.44 179.60 2iei h MET 350 N 0.89 0.69 0.06 1.25 2.86 -1.40 -1.65 114.93 117.64 2iei h MET 350 Ca 0.21 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2iei h MET 350 Cb 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2iei h MET 350 CO -0.02 0.45 -0.03 -0.09 1.06 0.00 0.00 176.91 178.29 2iei h ARG 351 N 0.71 -0.08 -0.63 1.72 2.43 -0.47 -0.31 114.38 117.74 2iei h ARG 351 Ca 0.31 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 2iei h ARG 351 Cb 0.19 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2iei h ARG 351 CO -0.18 -0.01 0.32 0.28 -1.51 0.00 0.00 179.97 178.86 2iei h VAL 352 N -0.13 1.21 -0.48 0.20 2.07 -1.22 0.20 116.25 118.10 2iei h VAL 352 Ca -0.01 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 2iei h VAL 352 Cb 0.11 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2iei h VAL 352 CO 0.01 0.24 -0.14 -0.07 0.02 0.00 0.00 177.57 177.63 2iei h LEU 353 N 0.86 0.96 0.00 2.57 3.38 -1.13 0.12 115.31 122.07 2iei h LEU 353 Ca 0.22 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2iei h LEU 353 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2iei h LEU 353 CO -0.03 1.11 -0.42 0.58 0.09 0.00 0.00 178.44 179.77 2iei h VAL 354 N 0.80 0.38 0.00 1.22 2.07 -0.97 -0.73 116.25 119.02 2iei h VAL 354 Ca 0.12 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 2iei h VAL 354 Cb 0.70 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2iei h VAL 354 CO 0.05 0.13 -0.80 0.44 0.02 0.00 0.00 177.57 177.41 2iei h ASP 355 N -1.00 0.00 0.00 0.57 3.32 -0.76 -2.94 116.42 115.61 2iei h ASP 355 Ca -0.06 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.69 2iei h ASP 355 Cb 0.55 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 2iei h ASP 355 CO -0.04 0.80 -2.03 0.18 -1.72 0.00 0.00 179.24 176.43 2iei n LEU 356 N -3.58 1.91 0.01 1.55 4.77 -1.04 -4.67 117.00 115.95 2iei n LEU 356 Ca -0.01 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2iei n LEU 356 Cb 0.77 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 41.52 2iei n LEU 356 CO 0.44 0.53 0.43 -0.62 -1.33 0.00 0.00 177.39 176.85 2iei n GLU 357 N -3.55 0.05 -1.32 3.23 -0.58 0.40 -4.98 120.64 113.90 2iei n GLU 357 Ca -0.35 0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.31 2iei n GLU 357 Cb 0.79 -1.53 -0.04 0.00 -0.57 0.00 0.00 31.44 30.09 2iei n GLU 357 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2iei n ARG 358 N -1.61 -0.68 -1.82 3.49 1.85 -0.39 -4.94 116.66 112.56 2iei n ARG 358 Ca 0.05 0.83 -0.33 0.00 -1.00 0.00 0.00 57.85 57.40 2iei n ARG 358 Cb 0.35 -4.75 0.04 0.00 -1.05 0.00 0.00 32.46 27.06 2iei n ARG 358 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2iei s LEU 359 N -2.23 3.41 0.58 2.89 1.43 -0.56 -4.98 118.68 119.20 2iei s LEU 359 Ca 0.00 1.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.85 2iei s LEU 359 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 2iei s LEU 359 CO 0.00 -1.50 1.12 1.51 0.23 0.00 0.00 176.35 177.71 2iei s ASP 360 N -2.69 5.56 0.19 2.29 1.47 -1.26 -4.45 116.67 117.78 2iei s ASP 360 Ca 0.66 2.11 -0.14 0.00 1.18 0.00 0.00 52.55 56.36 2iei s ASP 360 Cb -0.19 -2.57 0.20 0.00 -0.34 0.00 0.00 42.92 40.02 2iei s ASP 360 CO 0.41 -1.33 1.66 -0.25 0.68 0.00 0.00 175.17 176.34 2iei h TRP 361 N 0.85 -0.14 -0.30 2.11 2.91 -1.97 -1.21 115.95 118.19 2iei h TRP 361 Ca -0.49 0.04 -0.00 0.00 1.13 0.00 0.00 58.89 59.57 2iei h TRP 361 Cb 1.26 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 30.04 2iei h TRP 361 CO 0.52 -0.17 0.19 -0.44 -1.03 0.00 0.00 178.44 177.51 2iei h ASP 362 N 0.06 0.36 -0.31 2.65 3.32 -1.99 -0.15 116.42 120.37 2iei h ASP 362 Ca 0.26 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2iei h ASP 362 Cb 0.40 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2iei h ASP 362 CO -0.49 0.30 0.08 0.50 -1.72 0.00 0.00 179.24 177.92 2iei h LYS 363 N 0.39 0.49 -0.76 3.56 3.11 -1.88 -1.94 116.57 119.53 2iei h LYS 363 Ca 0.11 -0.11 0.10 0.00 -2.81 0.00 0.00 60.65 57.93 2iei h LYS 363 Cb 0.00 -0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.09 2iei h LYS 363 CO -0.02 0.55 0.41 0.00 -2.81 0.00 0.00 179.45 177.57 2iei h ALA 364 N 0.92 1.07 -0.66 5.00 0.00 -1.05 -1.88 119.26 122.66 2iei h ALA 364 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2iei h ALA 364 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2iei h ALA 364 CO -0.00 0.01 0.24 2.35 0.00 0.00 0.00 179.25 181.85 2iei h TRP 365 N 0.68 1.00 -0.29 0.00 2.91 -0.80 -0.84 115.95 118.60 2iei h TRP 365 Ca 0.37 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.32 2iei h TRP 365 Cb 0.38 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 2iei h TRP 365 CO -0.09 0.78 0.16 1.49 -1.03 0.00 0.00 178.44 179.75 2iei h GLU 366 N 0.96 0.40 -0.48 2.65 4.81 -0.67 -1.82 114.58 120.43 2iei h GLU 366 Ca 0.22 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 2iei h GLU 366 Cb 0.22 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2iei h GLU 366 CO -0.02 0.35 0.27 0.28 -0.73 0.00 0.00 179.01 179.16 2iei h VAL 367 N 0.35 1.02 0.30 0.32 2.07 -0.93 -2.50 116.25 116.88 2iei h VAL 367 Ca 0.10 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2iei h VAL 367 Cb 0.06 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2iei h VAL 367 CO -0.02 0.10 -0.15 0.74 0.02 0.00 0.00 177.57 178.27 2iei h THR 368 N 0.54 0.73 -0.70 2.57 2.02 -1.02 -1.68 112.91 115.36 2iei h THR 368 Ca 0.20 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2iei h THR 368 Cb 0.05 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2iei h THR 368 CO -0.11 0.07 0.33 0.58 0.37 0.00 0.00 175.52 176.76 2iei h VAL 369 N -0.58 1.23 0.00 3.16 2.07 -1.36 -0.44 116.25 120.35 2iei h VAL 369 Ca -0.04 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 2iei h VAL 369 Cb 0.42 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2iei h VAL 369 CO 0.07 0.28 -0.25 0.11 0.02 0.00 0.00 177.57 177.80 2iei h LYS 370 N 0.99 0.00 0.19 1.57 1.57 -1.40 -2.16 116.57 117.33 2iei h LYS 370 Ca 0.24 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.69 2iei h LYS 370 Cb 0.13 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.46 2iei h LYS 370 CO -0.03 0.25 -1.60 1.15 -0.57 0.00 0.00 179.45 178.65 2iei h THR 371 N 0.00 1.06 -3.11 -0.16 2.02 -0.82 -3.47 112.91 108.43 2iei h THR 371 Ca -0.00 -2.54 -0.59 0.00 0.77 0.00 0.00 66.41 64.04 2iei h THR 371 Cb 0.63 2.85 -0.05 0.00 -1.74 0.00 0.00 68.15 69.84 2iei h THR 371 CO 0.03 0.82 -0.15 0.00 0.37 0.00 0.00 175.52 176.59 2iei s ALA 373 N -1.17 -0.01 -0.11 0.00 0.00 -0.61 -1.64 121.76 118.22 2iei s ALA 373 Ca 0.28 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.91 2iei s ALA 373 Cb -0.17 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2iei s ALA 373 CO 0.16 -0.14 -0.22 -0.47 0.00 0.00 0.00 175.76 175.09 2iei s TYR 374 N -1.16 2.47 -0.20 0.00 5.04 -0.50 -0.07 117.35 122.92 2iei s TYR 374 Ca -0.13 -1.08 -0.06 0.00 -2.44 0.00 0.00 57.07 53.37 2iei s TYR 374 Cb -0.08 -1.67 -0.03 0.00 0.35 0.00 0.00 41.96 40.54 2iei s TYR 374 CO -0.00 -0.46 0.02 0.99 -1.34 0.00 0.00 175.55 174.76 2iei s THR 375 N 0.52 4.16 0.01 4.34 2.01 -0.44 -1.72 115.64 124.52 2iei s THR 375 Ca -0.15 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 2iei s THR 375 Cb -0.17 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 2iei s THR 375 CO 0.05 0.43 0.33 0.21 -0.69 0.00 0.00 174.62 174.95 2iei s ASN 376 N 0.89 6.61 0.00 3.53 3.84 -0.39 -1.31 114.94 128.11 2iei s ASN 376 Ca 0.02 0.73 0.00 0.00 0.21 0.00 0.00 52.86 53.82 2iei s ASN 376 Cb -0.14 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 2iei s ASN 376 CO 0.02 0.27 0.18 1.41 -2.79 0.00 0.00 177.10 176.19 2iei n HIS 377 N 1.35 0.00 -3.49 0.43 8.25 -1.26 -3.94 115.22 116.56 2iei n HIS 377 Ca -0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 2iei n HIS 377 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.61 0.00 -0.34 1.59 -1.32 -1.26 -4.49 115.64 109.21 2iei s THR 378 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 2iei s THR 378 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 2iei s THR 378 CO 0.00 0.00 0.31 0.52 -2.21 0.00 0.00 174.62 173.24 2iei n VAL 379 N -0.21 0.00 -1.68 5.08 0.31 -1.26 -5.02 118.33 115.56 2iei n VAL 379 Ca -0.11 -0.32 -0.51 0.00 -0.01 0.00 0.00 64.34 63.39 2iei n VAL 379 Cb 0.62 0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 34.48 2iei n VAL 379 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2iei n ILE 380 N -1.19 0.47 -0.25 2.52 5.41 -1.26 -4.85 119.36 120.20 2iei n ILE 380 Ca 0.01 -0.10 0.07 0.00 1.00 0.00 0.00 62.75 63.73 2iei n ILE 380 Cb 0.12 -1.66 0.31 0.00 -0.71 0.00 0.00 39.64 37.70 2iei n ILE 380 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2iei h PRO 381 N 8.89 0.82 0.00 0.38 0.13 -1.95 -1.76 132.00 138.51 2iei h PRO 381 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2iei h PRO 381 Cb 1.29 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2iei h PRO 381 CO 0.96 0.54 0.00 0.93 -0.23 0.00 0.00 178.00 180.20 2iei h GLU 382 N 0.85 0.00 0.00 0.86 3.07 -1.89 -2.74 114.58 114.73 2iei h GLU 382 Ca 0.38 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.04 2iei h GLU 382 Cb 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 2iei h GLU 382 CO -0.15 0.00 -0.93 0.00 -1.40 0.00 0.00 179.01 176.53 2iei h ALA 383 N 2.12 0.47 -2.40 3.43 0.00 -1.42 0.66 119.26 122.11 2iei h ALA 383 Ca 0.00 -0.84 -0.57 0.00 0.00 0.00 0.00 54.91 53.50 2iei h ALA 383 Cb 0.34 -0.15 0.07 0.00 0.00 0.00 0.00 17.79 18.05 2iei h ALA 383 CO 0.00 1.15 0.79 -0.11 0.00 0.00 0.00 179.25 181.09 2iei n LEU 384 N -3.44 3.39 -4.66 0.00 7.94 -1.04 -4.29 117.00 114.89 2iei n LEU 384 Ca -0.00 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 2iei n LEU 384 Cb 0.88 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 43.32 2iei n LEU 384 CO 0.46 -0.21 0.65 -1.61 -1.11 0.00 0.00 177.39 175.56 2iei s GLU 385 N 0.44 4.27 -0.42 1.96 2.02 -1.26 -4.77 118.70 120.95 2iei s GLU 385 Ca 0.74 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.79 2iei s GLU 385 Cb -0.62 -3.60 0.16 0.00 0.10 0.00 0.00 34.13 30.18 2iei s GLU 385 CO 0.41 -0.40 0.32 1.03 0.02 0.00 0.00 175.26 176.65 2iei s ARG 386 N 2.39 0.94 0.10 1.61 0.52 -1.26 -2.09 118.95 121.17 2iei s ARG 386 Ca 0.38 -2.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.25 2iei s ARG 386 Cb -0.16 -1.54 -0.07 0.00 0.52 0.00 0.00 34.95 33.70 2iei s ARG 386 CO 0.11 -1.34 1.21 -1.58 0.02 0.00 0.00 175.30 173.72 2iei s TRP 387 N 0.17 3.42 0.23 -0.53 0.52 -0.98 -4.70 118.94 117.08 2iei s TRP 387 Ca 0.29 1.31 -0.31 0.00 0.02 0.00 0.00 56.10 57.42 2iei s TRP 387 Cb -0.02 -3.44 -0.11 0.00 -1.15 0.00 0.00 33.47 28.75 2iei s TRP 387 CO -0.15 -1.34 1.55 -2.14 0.02 0.00 0.00 176.95 174.89 2iei s PRO 388 N 0.66 4.20 0.45 4.98 0.02 -1.26 -0.95 135.00 143.09 2iei s PRO 388 Ca 0.57 2.42 0.23 0.00 0.02 0.00 0.00 61.00 64.24 2iei s PRO 388 Cb -0.31 -3.10 1.22 0.00 0.02 0.00 0.00 34.50 32.34 2iei s PRO 388 CO 0.31 -0.57 1.85 0.28 -0.33 0.00 0.00 177.00 178.55 2iei h VAL 389 N 3.68 0.60 -0.48 3.83 2.07 -1.02 -0.98 116.25 123.96 2iei h VAL 389 Ca -0.45 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2iei h VAL 389 Cb 1.21 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2iei h VAL 389 CO 0.84 0.05 0.06 0.45 0.02 0.00 0.00 177.57 178.99 2iei h HIS 390 N 0.27 0.78 -0.12 1.57 3.86 -1.90 -1.58 115.15 118.04 2iei h HIS 390 Ca 0.48 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.47 2iei h HIS 390 Cb 1.43 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2iei h HIS 390 CO -0.00 0.70 -0.45 1.25 0.86 0.00 0.00 177.93 180.29 2iei h LEU 391 N 0.72 0.60 -0.74 2.43 5.85 -1.55 -3.02 115.31 119.59 2iei h LEU 391 Ca 0.15 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 2iei h LEU 391 Cb 0.36 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2iei h LEU 391 CO 0.01 1.12 0.15 -0.07 -0.34 0.00 0.00 178.44 179.30 2iei h LEU 392 N 0.12 1.05 -1.09 2.25 3.38 -1.44 -2.16 115.31 117.42 2iei h LEU 392 Ca -0.02 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2iei h LEU 392 Cb 1.08 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 2iei h LEU 392 CO 0.09 1.02 0.62 -0.08 0.09 0.00 0.00 178.44 180.18 2iei h GLU 393 N 1.04 1.09 0.18 1.13 4.81 -1.29 0.24 114.58 121.79 2iei h GLU 393 Ca 0.21 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 59.11 2iei h GLU 393 Cb 0.39 -0.25 0.02 0.00 0.63 0.00 0.00 28.75 29.55 2iei h GLU 393 CO 0.01 0.72 -1.25 1.15 -0.73 0.00 0.00 179.01 178.91 2iei h THR 394 N 1.12 1.29 0.10 0.32 2.02 -1.39 -3.21 112.91 113.17 2iei h THR 394 Ca 0.40 -2.57 -0.32 0.00 0.77 0.00 0.00 66.41 64.69 2iei h THR 394 Cb 0.13 3.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 2iei h THR 394 CO -0.14 0.76 -1.67 0.25 0.37 0.00 0.00 175.52 175.09 2iei h LEU 395 N -0.13 0.34 -5.68 2.58 5.85 -1.33 -3.38 115.31 113.56 2iei h LEU 395 Ca -0.23 -0.56 -0.47 0.00 0.84 0.00 0.00 57.88 57.45 2iei h LEU 395 Cb 1.90 -0.11 -0.40 0.00 0.37 0.00 0.00 40.66 42.42 2iei h LEU 395 CO 0.19 1.48 -1.12 0.18 -0.34 0.00 0.00 178.44 178.83 2iei n LEU 396 N -3.40 1.52 0.01 2.25 4.77 0.84 -0.23 117.00 122.76 2iei n LEU 396 Ca -0.20 -4.86 0.10 0.00 -0.03 0.00 0.00 56.01 51.02 2iei n LEU 396 Cb 1.05 0.47 0.53 0.00 -2.33 0.00 0.00 43.42 43.14 2iei n LEU 396 CO 0.48 2.16 1.16 1.55 -1.33 0.00 0.00 177.39 181.41 2iei h PRO 397 N 2.98 0.31 -0.10 3.23 0.13 -1.54 -1.11 132.00 135.91 2iei h PRO 397 Ca 0.07 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.98 2iei h PRO 397 Cb 0.95 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2iei h PRO 397 CO 0.55 0.20 -0.77 -0.09 -0.23 0.00 0.00 178.00 177.67 2iei h ARG 398 N 0.32 0.55 -0.53 0.86 9.65 -1.89 -2.98 114.38 120.35 2iei h ARG 398 Ca 0.19 -0.46 -0.12 0.00 -1.10 0.00 0.00 59.98 58.50 2iei h ARG 398 Cb 0.36 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 2iei h ARG 398 CO -0.04 1.08 -0.14 0.45 2.80 0.00 0.00 179.97 184.12 2iei h HIS 399 N 0.37 1.16 -0.63 2.20 3.86 -1.57 -2.21 115.15 118.32 2iei h HIS 399 Ca -0.04 -0.25 0.05 0.00 -1.16 0.00 0.00 60.37 58.96 2iei h HIS 399 Cb 1.37 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.51 2iei h HIS 399 CO 0.06 1.08 0.36 1.25 0.86 0.00 0.00 177.93 181.54 2iei h LEU 400 N 0.90 0.55 -0.05 2.43 6.46 -1.49 0.36 115.31 124.48 2iei h LEU 400 Ca 0.13 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2iei h LEU 400 Cb 0.72 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 2iei h LEU 400 CO 0.05 0.37 -0.06 1.56 -0.62 0.00 0.00 178.44 179.74 2iei h GLN 401 N 0.68 -0.09 -0.62 1.25 4.20 -1.36 -1.72 115.11 117.46 2iei h GLN 401 Ca 0.27 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 2iei h GLN 401 Cb 0.12 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2iei h GLN 401 CO -0.15 -0.06 0.23 0.82 -0.67 0.00 0.00 178.83 179.00 2iei h ILE 402 N -0.09 1.22 0.30 2.54 2.04 -0.95 -1.39 117.51 121.17 2iei h ILE 402 Ca 0.04 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2iei h ILE 402 Cb 0.15 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2iei h ILE 402 CO -0.10 0.28 -0.22 0.40 0.00 0.00 0.00 178.15 178.51 2iei h ILE 403 N 0.89 0.53 -0.75 -0.67 2.04 0.04 0.11 117.51 119.71 2iei h ILE 403 Ca 0.21 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.16 2iei h ILE 403 Cb 0.20 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2iei h ILE 403 CO -0.02 0.00 0.49 1.88 0.00 0.00 0.00 178.15 180.51 2iei h TYR 404 N -0.52 0.73 -0.28 1.37 0.05 -1.03 0.22 116.97 117.50 2iei h TYR 404 Ca -0.02 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2iei h TYR 404 Cb 0.45 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 2iei h TYR 404 CO -0.12 0.35 -0.32 1.49 -1.05 0.00 0.00 178.16 178.51 2iei h GLU 405 N 0.69 0.72 -0.21 4.88 4.57 -0.86 -1.01 114.58 123.36 2iei h GLU 405 Ca 0.34 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2iei h GLU 405 Cb 0.41 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 2iei h GLU 405 CO -0.12 1.01 0.05 0.82 -1.18 0.00 0.00 179.01 179.59 2iei h ILE 406 N 0.46 0.92 0.09 2.32 2.04 -0.09 -2.47 117.51 120.78 2iei h ILE 406 Ca 0.04 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2iei h ILE 406 Cb 0.90 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2iei h ILE 406 CO 0.08 0.02 -0.21 -1.13 0.00 0.00 0.00 178.15 176.91 2iei h ASN 407 N 0.14 -0.60 -0.42 1.72 -1.24 -0.46 0.89 115.58 115.61 2iei h ASN 407 Ca 0.09 0.07 0.07 0.00 0.71 0.00 0.00 56.30 57.25 2iei h ASN 407 Cb 0.08 0.23 -0.06 0.00 0.73 0.00 0.00 38.32 39.30 2iei h ASN 407 CO -0.12 -0.29 0.03 -0.61 -1.29 0.00 0.00 177.43 175.15 2iei h GLN 408 N -0.39 0.14 -0.14 6.67 4.15 -1.17 0.18 115.11 124.55 2iei h GLN 408 Ca 0.03 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 2iei h GLN 408 Cb 0.42 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2iei h GLN 408 CO -0.13 0.10 -0.34 0.00 -1.93 0.00 0.00 178.83 176.52 2iei h ARG 409 N 0.15 0.29 -0.31 1.69 3.08 -1.19 -0.31 114.38 117.78 2iei h ARG 409 Ca 0.20 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 2iei h ARG 409 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2iei h ARG 409 CO -0.31 0.60 -0.35 0.35 -1.07 0.00 0.00 179.97 179.19 2iei h PHE 410 N 0.25 0.94 -0.05 3.04 3.57 -0.26 -2.89 116.94 121.54 2iei h PHE 410 Ca 0.03 -0.29 -0.22 0.00 3.53 0.00 0.00 57.97 61.02 2iei h PHE 410 Cb 0.73 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2iei h PHE 410 CO 0.01 1.07 -0.85 -0.07 -2.23 0.00 0.00 178.31 176.25 2iei h LEU 411 N 0.54 0.63 -0.76 0.59 3.38 -0.49 -1.69 115.31 117.52 2iei h LEU 411 Ca 0.04 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 57.72 2iei h LEU 411 Cb 0.93 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 2iei h LEU 411 CO 0.08 1.24 0.23 0.78 0.09 0.00 0.00 178.44 180.86 2iei h ASN 412 N 0.32 0.11 0.24 -0.43 -0.26 -1.13 0.68 115.58 115.10 2iei h ASN 412 Ca -0.06 0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2iei h ASN 412 Cb 1.47 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 38.88 2iei h ASN 412 CO 0.15 -0.00 -0.18 -0.09 -1.06 0.00 0.00 177.43 176.25 2iei h ARG 413 N 0.32 -0.41 -0.46 0.81 9.65 -1.24 -2.03 114.38 121.03 2iei h ARG 413 Ca 0.43 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.39 2iei h ARG 413 Cb 0.73 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.35 2iei h ARG 413 CO -0.49 -0.27 0.18 0.28 2.80 0.00 0.00 179.97 182.47 2iei h VAL 414 N -0.42 0.88 -0.47 0.20 2.07 -0.72 -1.52 116.25 116.26 2iei h VAL 414 Ca -0.01 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2iei h VAL 414 Cb 0.37 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2iei h VAL 414 CO -0.01 0.07 0.32 0.00 0.02 0.00 0.00 177.57 177.96 2iei h ALA 415 N 1.29 1.77 -0.28 1.67 0.00 -0.76 -0.55 119.26 122.41 2iei h ALA 415 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2iei h ALA 415 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2iei h ALA 415 CO -0.20 0.18 -0.41 0.00 0.00 0.00 0.00 179.25 178.81 2iei h ALA 416 N 1.72 0.42 0.02 0.00 0.00 -0.55 -2.73 119.26 118.15 2iei h ALA 416 Ca 0.19 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2iei h ALA 416 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2iei h ALA 416 CO -0.05 0.54 -0.99 0.00 0.00 0.00 0.00 179.25 178.75 2iei h ALA 417 N 0.68 0.32 -2.15 0.00 0.00 -0.84 -3.38 119.26 113.90 2iei h ALA 417 Ca 0.03 -0.73 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 2iei h ALA 417 Cb 1.01 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.38 2iei h ALA 417 CO 0.10 0.83 -0.83 1.19 0.00 0.00 0.00 179.25 180.54 2iei n PHE 418 N -3.72 1.76 -1.94 0.00 3.72 -0.26 -5.11 117.46 111.91 2iei n PHE 418 Ca -0.07 -3.88 -0.42 0.00 -0.05 0.00 0.00 57.45 53.03 2iei n PHE 418 Cb 0.86 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 2iei n PHE 418 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2iei s PRO 419 N -1.81 4.22 0.00 -1.08 0.04 -1.03 -2.32 135.00 133.03 2iei s PRO 419 Ca 0.37 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2iei s PRO 419 Cb 0.15 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2iei s PRO 419 CO -0.07 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2iei n GLY 420 N 3.44 0.74 3.36 0.56 0.00 -1.26 -5.00 105.19 107.03 2iei n GLY 420 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 5.27 -0.13 1.61 -0.08 -0.98 -4.82 116.55 117.42 2iei n ASP 421 Ca 0.00 -3.01 -0.11 0.00 -1.51 0.00 0.00 54.79 50.16 2iei n ASP 421 Cb 0.00 -1.53 -0.02 0.00 2.34 0.00 0.00 41.12 41.91 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 4.39 1.26 -0.81 5.18 2.07 -1.94 -2.68 116.25 123.72 2iei h VAL 422 Ca 0.31 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2iei h VAL 422 Cb 0.83 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2iei h VAL 422 CO 1.27 0.34 0.49 0.44 0.02 0.00 0.00 177.57 180.13 2iei h ASP 423 N 0.48 0.97 -0.97 0.57 3.32 -2.01 -1.51 116.42 117.28 2iei h ASP 423 Ca 0.10 -0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.20 2iei h ASP 423 Cb 0.49 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 2iei h ASP 423 CO 0.02 0.75 0.62 -0.09 -1.72 0.00 0.00 179.24 178.82 2iei h ARG 424 N 1.11 0.92 -0.14 3.56 2.43 -1.93 -1.71 114.38 118.63 2iei h ARG 424 Ca 0.29 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2iei h ARG 424 Cb -0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 2iei h ARG 424 CO -0.05 0.61 0.06 -0.07 -1.51 0.00 0.00 179.97 179.01 2iei h LEU 425 N 0.95 0.19 -1.25 3.80 3.38 -0.94 -1.74 115.31 119.70 2iei h LEU 425 Ca 0.47 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2iei h LEU 425 Cb 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2iei h LEU 425 CO -0.24 0.28 -0.29 0.08 0.09 0.00 0.00 178.44 178.36 2iei h ARG 426 N 0.09 0.13 0.00 1.13 0.11 -1.22 -1.57 114.38 113.05 2iei h ARG 426 Ca 0.05 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2iei h ARG 426 Cb 0.15 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 2iei h ARG 426 CO -0.00 0.42 -0.16 0.00 0.10 0.00 0.00 179.97 180.32 2iei h ARG 427 N 0.12 0.00 0.00 0.08 3.08 -1.14 -3.28 114.38 113.24 2iei h ARG 427 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2iei h ARG 427 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2iei h ARG 427 CO 0.04 0.16 -1.54 -1.33 -1.07 0.00 0.00 179.97 176.23 2iei n MET 428 N -3.23 0.68 -1.70 0.04 2.81 -0.67 -5.01 117.12 110.04 2iei n MET 428 Ca 0.01 -0.12 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 2iei n MET 428 Cb 0.47 -1.43 0.01 0.00 -0.71 0.00 0.00 33.22 31.57 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 -1.92 2.55 0.16 7.83 2.88 -0.61 -4.88 113.62 119.62 2iei n SER 429 Ca -0.01 1.10 0.13 0.00 -1.33 0.00 0.00 58.87 58.76 2iei n SER 429 Cb 0.43 -1.51 0.46 0.00 -0.75 0.00 0.00 64.21 62.85 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 2.03 0.00 -8.88 2.46 3.38 -1.91 -3.43 115.31 108.96 2iei h LEU 430 Ca -0.48 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.86 2iei h LEU 430 Cb 1.30 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.85 2iei h LEU 430 CO 0.60 0.00 -0.60 -0.69 0.09 0.00 0.00 178.44 177.84 2iei s VAL 431 N -3.30 4.54 -0.17 1.22 1.01 -1.26 -0.40 120.40 122.03 2iei s VAL 431 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2iei s VAL 431 Cb 0.10 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2iei s VAL 431 CO 0.51 0.41 0.07 -1.61 0.00 0.00 0.00 175.10 174.48 2iei s GLU 432 N 0.92 3.85 0.61 2.72 2.02 0.11 -4.97 118.70 123.95 2iei s GLU 432 Ca 0.04 -0.31 -0.10 0.00 0.02 0.00 0.00 54.97 54.62 2iei s GLU 432 Cb -0.14 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2iei s GLU 432 CO 0.03 0.38 0.99 -1.21 0.02 0.00 0.00 175.26 175.46 2iei s GLU 433 N 0.08 3.44 0.00 1.61 0.41 -1.26 -2.14 118.70 120.83 2iei s GLU 433 Ca 0.06 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 2iei s GLU 433 Cb -0.12 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 2iei s GLU 433 CO 0.00 -0.58 0.00 0.41 -0.49 0.00 0.00 175.26 174.60 2iei n GLY 434 N -2.69 -0.74 0.34 -1.39 0.00 -1.26 -4.87 105.19 94.58 2iei n GLY 434 Ca 0.05 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 44.70 2iei n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iei h ALA 435 N 0.00 1.95 -3.25 4.61 0.00 -2.07 -3.35 119.26 117.16 2iei h ALA 435 Ca 0.00 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 2iei h ALA 435 Cb 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 17.79 17.43 2iei h ALA 435 CO 0.00 -0.33 -0.79 0.08 0.00 0.00 0.00 179.25 178.21 2iei s VAL 436 N -4.75 0.82 0.20 0.00 1.01 -1.26 -5.13 120.40 111.30 2iei s VAL 436 Ca -0.05 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 2iei s VAL 436 Cb 0.16 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 2iei s VAL 436 CO 0.59 0.22 1.30 -0.54 0.00 0.00 0.00 175.10 176.68 2iei s LYS 437 N 1.77 4.39 0.02 2.72 1.02 -1.26 -4.82 119.74 123.59 2iei s LYS 437 Ca 0.03 2.05 0.01 0.00 0.02 0.00 0.00 55.97 58.09 2iei s LYS 437 Cb -0.14 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 2iei s LYS 437 CO -0.07 -0.24 -0.05 1.03 -0.92 0.00 0.00 175.35 175.09 2iei s ARG 438 N -0.20 0.40 -0.22 1.68 0.52 -0.91 -0.35 118.95 119.86 2iei s ARG 438 Ca 0.56 -0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 55.10 2iei s ARG 438 Cb -0.36 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.85 2iei s ARG 438 CO 0.39 0.05 0.61 0.42 0.02 0.00 0.00 175.30 176.79 2iei s ILE 439 N -0.83 5.01 -0.40 1.52 -1.09 -0.13 0.05 121.20 125.34 2iei s ILE 439 Ca -0.06 1.13 -0.27 0.00 -2.23 0.00 0.00 60.65 59.22 2iei s ILE 439 Cb -0.06 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.91 2iei s ILE 439 CO -0.00 0.08 1.00 0.21 -1.23 0.00 0.00 174.94 175.00 2iei s ASN 440 N 1.32 6.68 0.32 3.58 3.84 0.46 -2.31 114.94 128.83 2iei s ASN 440 Ca 0.27 0.56 0.16 0.00 0.21 0.00 0.00 52.86 54.06 2iei s ASN 440 Cb -0.16 -2.50 0.44 0.00 -0.55 0.00 0.00 41.25 38.49 2iei s ASN 440 CO 0.09 -0.99 1.62 0.24 -2.79 0.00 0.00 177.10 175.28 2iei h MET 441 N 8.68 0.00 -0.40 0.43 2.86 -1.73 -2.62 114.93 122.16 2iei h MET 441 Ca -0.23 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 2iei h MET 441 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2iei h MET 441 CO 1.03 0.49 -0.18 0.00 1.06 0.00 0.00 176.91 179.32 2iei h ALA 442 N 1.51 0.56 -0.92 6.32 0.00 -1.92 -0.14 119.26 124.67 2iei h ALA 442 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2iei h ALA 442 Cb 1.09 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2iei h ALA 442 CO 0.06 0.50 0.57 0.45 0.00 0.00 0.00 179.25 180.83 2iei h HIS 443 N 0.63 1.20 -0.09 0.00 3.86 -1.91 -2.04 115.15 116.80 2iei h HIS 443 Ca 0.09 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2iei h HIS 443 Cb 0.73 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2iei h HIS 443 CO 0.06 0.78 -0.06 1.25 0.86 0.00 0.00 177.93 180.82 2iei h LEU 444 N 1.26 -0.20 -0.43 2.43 6.46 -1.15 -2.15 115.31 121.52 2iei h LEU 444 Ca 0.33 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.14 2iei h LEU 444 Cb -0.08 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2iei h LEU 444 CO -0.06 -0.09 0.28 0.00 -0.62 0.00 0.00 178.44 177.94 2iei h ILE 446 N 0.58 1.22 -0.92 0.00 2.04 -1.34 0.17 117.51 119.26 2iei h ILE 446 Ca 0.16 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.38 2iei h ILE 446 Cb -0.05 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2iei h ILE 446 CO -0.03 0.25 0.60 0.00 0.00 0.00 0.00 178.15 178.96 2iei h ALA 447 N 0.98 1.51 -0.36 1.87 0.00 -1.13 -2.99 119.26 119.14 2iei h ALA 447 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2iei h ALA 447 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2iei h ALA 447 CO -0.00 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2iei n GLY 448 N -1.39 1.67 3.63 0.00 0.00 -0.61 -4.96 105.19 103.53 2iei n GLY 448 Ca 0.14 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.40 4.73 0.13 1.61 0.01 0.02 -3.82 113.70 114.98 2iei s SER 449 Ca 0.35 -0.21 0.24 0.00 1.31 0.00 0.00 55.95 57.64 2iei s SER 449 Cb 0.21 -1.07 0.25 0.00 0.21 0.00 0.00 66.02 65.62 2iei s SER 449 CO 0.29 0.22 1.24 1.12 0.41 0.00 0.00 173.24 176.52 2iei h HIS 450 N 3.92 0.00 -3.84 2.43 2.07 -0.63 -3.46 115.15 115.64 2iei h HIS 450 Ca -0.48 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 56.75 2iei h HIS 450 Cb 1.17 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 30.87 2iei h HIS 450 CO 0.60 0.00 -0.74 0.00 -3.07 0.00 0.00 177.93 174.72 2iei s ALA 451 N -3.20 0.26 -0.07 6.11 0.00 -1.26 -4.43 121.76 119.17 2iei s ALA 451 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2iei s ALA 451 Cb 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.21 2iei s ALA 451 CO 0.74 0.06 -0.09 0.08 0.00 0.00 0.00 175.76 176.54 2iei s VAL 452 N -0.13 0.96 0.08 0.00 1.01 0.14 -1.41 120.40 121.05 2iei s VAL 452 Ca 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2iei s VAL 452 Cb -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2iei s VAL 452 CO -0.00 0.32 -0.12 0.54 0.00 0.00 0.00 175.10 175.84 2iei s ASN 453 N 0.93 1.52 0.60 3.32 4.22 -0.70 -0.43 114.94 124.39 2iei s ASN 453 Ca -0.10 -0.66 0.06 0.00 -2.14 0.00 0.00 52.86 50.02 2iei s ASN 453 Cb -0.15 -0.02 0.09 0.00 1.28 0.00 0.00 41.25 42.45 2iei s ASN 453 CO 0.01 -0.14 0.83 -0.83 -2.04 0.00 0.00 177.10 174.93 2iei s GLY 454 N -1.92 1.76 0.00 0.45 0.00 -1.18 -1.27 107.32 105.16 2iei s GLY 454 Ca -0.01 -1.94 0.14 0.00 0.00 0.00 0.00 44.72 42.90 2iei s GLY 454 CO 0.02 -1.48 1.02 3.33 0.00 0.00 0.00 173.10 175.98 2iei n VAL 455 N -2.39 0.23 -3.58 1.40 0.24 -1.25 -2.44 118.33 110.54 2iei n VAL 455 Ca 0.14 -0.62 -0.15 0.00 -2.04 0.00 0.00 64.34 61.68 2iei n VAL 455 Cb 0.61 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 34.02 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 -1.11 -1.79 0.26 2.33 0.00 -1.26 0.11 121.76 120.29 2iei s ALA 456 Ca 0.19 1.70 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 2iei s ALA 456 Cb 0.12 -0.67 0.38 0.00 0.00 0.00 0.00 23.12 22.95 2iei s ALA 456 CO 0.18 -0.35 1.58 -0.09 0.00 0.00 0.00 175.76 177.08 2iei h ARG 457 N 4.01 -0.01 -0.56 0.00 2.43 -1.89 0.22 114.38 118.60 2iei h ARG 457 Ca -0.28 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 2iei h ARG 457 Cb 1.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2iei h ARG 457 CO 0.21 -0.00 0.19 0.97 -1.51 0.00 0.00 179.97 179.82 2iei h ILE 458 N -0.01 1.23 -0.22 1.20 2.10 -1.89 -2.58 117.51 117.35 2iei h ILE 458 Ca 0.42 -0.77 -0.05 0.00 1.08 0.00 0.00 64.86 65.54 2iei h ILE 458 Cb 0.65 0.69 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 2iei h ILE 458 CO -0.93 0.29 -0.05 -0.74 -1.08 0.00 0.00 178.15 175.65 2iei h HIS 459 N 0.77 0.48 -0.35 2.19 2.76 -1.22 -1.93 115.15 117.84 2iei h HIS 459 Ca 0.18 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2iei h HIS 459 Cb 0.26 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 2iei h HIS 459 CO 0.01 0.66 0.24 0.77 -1.30 0.00 0.00 177.93 178.31 2iei h SER 460 N 0.16 0.30 -0.28 3.26 0.02 -1.12 -1.14 113.55 114.75 2iei h SER 460 Ca 0.06 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.82 2iei h SER 460 Cb 0.50 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2iei h SER 460 CO 0.02 0.20 -0.55 -0.33 -1.14 0.00 0.00 176.83 175.04 2iei h GLU 461 N 0.35 0.87 0.00 3.45 4.39 -1.27 -3.01 114.58 119.35 2iei h GLU 461 Ca 0.15 -0.56 -0.08 0.00 0.34 0.00 0.00 59.36 59.20 2iei h GLU 461 Cb 0.15 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 2iei h GLU 461 CO -0.03 1.19 -0.39 -0.84 -1.16 0.00 0.00 179.01 177.78 2iei h ILE 462 N 0.65 0.99 -0.20 3.13 3.07 -0.51 -1.85 117.51 122.79 2iei h ILE 462 Ca 0.01 -1.50 -0.00 0.00 1.55 0.00 0.00 64.86 64.92 2iei h ILE 462 Cb 1.16 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 2iei h ILE 462 CO 0.12 0.38 0.12 -0.07 -1.05 0.00 0.00 178.15 177.66 2iei h LEU 463 N 0.00 0.24 -1.81 0.16 3.38 -1.28 0.21 115.31 116.21 2iei h LEU 463 Ca -0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2iei h LEU 463 Cb 0.85 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 2iei h LEU 463 CO 0.05 0.20 -0.15 0.11 0.09 0.00 0.00 178.44 178.74 2iei h LYS 464 N 0.25 0.00 0.00 1.13 1.57 -1.32 -1.14 116.57 117.06 2iei h LYS 464 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2iei h LYS 464 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2iei h LYS 464 CO -0.01 0.15 -1.67 0.36 -0.57 0.00 0.00 179.45 177.71 2iei n LYS 465 N -3.78 0.59 0.00 3.15 2.85 -0.73 -4.08 118.16 116.16 2iei n LYS 465 Ca -0.02 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2iei n LYS 465 Cb 0.25 -1.38 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 2iei n LYS 465 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2iei n THR 466 N -2.01 0.00 0.08 0.58 -2.24 0.04 -4.75 114.28 105.98 2iei n THR 466 Ca -0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2iei n THR 466 Cb 0.41 -0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.42 -0.08 2.28 2.10 -1.67 -3.11 117.51 118.44 2iei h ILE 467 Ca 0.00 -2.21 -0.04 0.00 1.08 0.00 0.00 64.86 63.69 2iei h ILE 467 Cb 0.00 2.17 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 2iei h ILE 467 CO 0.00 0.65 -0.30 0.49 -1.08 0.00 0.00 178.15 177.92 2iei n PHE 468 N -3.80 0.26 -0.24 2.19 3.72 -0.44 -4.83 117.46 114.32 2iei n PHE 468 Ca -0.03 -1.39 0.03 0.00 -0.05 0.00 0.00 57.45 56.00 2iei n PHE 468 Cb 0.70 -0.28 0.15 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.84 0.44 -0.23 -1.08 3.64 -1.46 -1.09 116.57 117.63 2iei h LYS 469 Ca 0.04 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2iei h LYS 469 Cb 1.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2iei h LYS 469 CO 0.09 0.29 -0.33 -0.44 -2.27 0.00 0.00 179.45 176.79 2iei h ASP 470 N 0.45 0.50 0.24 4.20 3.32 -1.87 -2.18 116.42 121.08 2iei h ASP 470 Ca 0.37 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 2iei h ASP 470 Cb 0.51 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2iei h ASP 470 CO -0.36 0.81 -0.72 -0.26 -1.72 0.00 0.00 179.24 176.99 2iei h PHE 471 N 0.42 0.56 -0.39 4.55 0.04 -1.78 -2.25 116.94 118.09 2iei h PHE 471 Ca 0.05 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.50 2iei h PHE 471 Cb 0.78 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.83 2iei h PHE 471 CO 0.03 1.00 -0.08 -0.92 -0.60 0.00 0.00 178.31 177.73 2iei h TYR 472 N 0.29 0.71 -0.06 -0.55 3.20 -1.14 0.27 116.97 119.69 2iei h TYR 472 Ca -0.03 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.60 2iei h TYR 472 Cb 1.29 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2iei h TYR 472 CO 0.04 0.72 -0.54 0.93 -1.64 0.00 0.00 178.16 177.68 2iei h GLU 473 N 0.61 0.18 0.04 1.82 5.08 -1.21 -1.29 114.58 119.80 2iei h GLU 473 Ca 0.11 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2iei h GLU 473 Cb 0.51 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2iei h GLU 473 CO 0.03 0.67 -0.54 1.25 -1.00 0.00 0.00 179.01 179.42 2iei h LEU 474 N 0.14 0.40 -6.30 1.33 6.46 -1.24 -3.42 115.31 112.68 2iei h LEU 474 Ca 0.00 -0.84 -0.58 0.00 -0.12 0.00 0.00 57.88 56.34 2iei h LEU 474 Cb 0.99 -0.13 -0.39 0.00 -0.73 0.00 0.00 40.66 40.41 2iei h LEU 474 CO 0.08 1.20 -0.98 -0.62 -0.62 0.00 0.00 178.44 177.49 2iei n GLU 475 N -4.29 0.49 0.24 1.25 1.02 0.07 -4.97 120.64 114.45 2iei n GLU 475 Ca -0.11 -3.30 0.10 0.00 -0.02 0.00 0.00 57.16 53.83 2iei n GLU 475 Cb 0.66 -1.60 0.61 0.00 -0.02 0.00 0.00 31.44 31.09 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 5.12 0.00 0.00 3.49 0.13 -1.44 -2.86 132.00 136.44 2iei h PRO 476 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 2iei h PRO 476 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2iei h PRO 476 CO 0.43 0.18 -0.13 1.12 -0.23 0.00 0.00 178.00 179.37 2iei h HIS 477 N 0.00 0.00 0.00 1.56 2.07 -1.93 -3.03 115.15 113.82 2iei h HIS 477 Ca -0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 2iei h HIS 477 Cb 0.47 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.43 2iei h HIS 477 CO 0.00 0.13 -0.71 0.87 -3.07 0.00 0.00 177.93 175.16 2iei h LYS 478 N 0.00 0.00 -5.59 5.12 1.57 -1.72 -3.46 116.57 112.50 2iei h LYS 478 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2iei h LYS 478 Cb 0.38 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 2iei h LYS 478 CO 0.02 0.71 0.24 -0.06 -0.57 0.00 0.00 179.45 179.79 2iei s PHE 479 N -3.05 3.28 0.46 -1.35 0.40 -1.15 0.28 117.98 116.86 2iei s PHE 479 Ca 0.01 0.86 0.03 0.00 -0.60 0.00 0.00 56.93 57.24 2iei s PHE 479 Cb 0.10 -2.92 -0.01 0.00 0.51 0.00 0.00 43.02 40.69 2iei s PHE 479 CO 0.77 -0.37 0.11 1.04 0.70 0.00 0.00 175.22 177.47 2iei n GLN 480 N 5.82 0.61 -4.69 0.44 6.02 0.43 -4.97 117.38 121.04 2iei n GLN 480 Ca 0.01 -3.70 -0.24 0.00 -0.01 0.00 0.00 57.00 53.06 2iei n GLN 480 Cb 0.49 1.69 -0.15 0.00 1.02 0.00 0.00 30.24 33.29 2iei n GLN 480 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2iei s ASN 481 N -3.72 2.07 -0.35 1.08 3.04 -1.26 -3.13 114.94 112.67 2iei s ASN 481 Ca 0.15 -0.39 0.00 0.00 0.04 0.00 0.00 52.86 52.67 2iei s ASN 481 Cb 0.01 -0.20 0.14 0.00 -1.54 0.00 0.00 41.25 39.66 2iei s ASN 481 CO 0.11 0.17 0.23 -0.54 -3.04 0.00 0.00 177.10 174.03 2iei s LYS 482 N -0.72 0.54 0.18 0.43 -0.14 -1.02 -4.96 119.74 114.04 2iei s LYS 482 Ca 0.06 -1.20 -0.33 0.00 -1.36 0.00 0.00 55.97 53.13 2iei s LYS 482 Cb -0.07 -1.19 -0.13 0.00 -1.68 0.00 0.00 37.83 34.76 2iei s LYS 482 CO 0.00 -1.20 1.60 2.41 -0.76 0.00 0.00 175.35 177.41 2iei n THR 483 N 4.14 0.04 -0.94 2.17 -1.04 -1.26 -4.27 114.28 113.13 2iei n THR 483 Ca 0.11 -0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.77 2iei n THR 483 Cb 0.39 -1.64 0.11 0.00 -1.82 0.00 0.00 70.33 67.37 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 3.48 -1.32 -4.17 8.00 5.03 0.12 -4.64 115.26 121.75 2iei n ASN 484 Ca 0.16 0.43 -0.12 0.00 0.87 0.00 0.00 54.58 55.93 2iei n ASN 484 Cb 0.30 -1.27 -0.10 0.00 -1.02 0.00 0.00 39.78 37.70 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 -1.94 1.32 0.04 7.41 0.00 -1.26 -4.82 107.32 108.06 2iei s GLY 485 Ca 0.62 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2iei s GLY 485 CO 0.62 -1.32 -0.09 -0.26 0.00 0.00 0.00 173.10 172.06 2iei s ILE 486 N -4.14 0.64 -0.09 0.90 -4.36 -0.74 -4.59 121.20 108.81 2iei s ILE 486 Ca 0.36 -0.99 -0.30 0.00 -0.26 0.00 0.00 60.65 59.46 2iei s ILE 486 Cb 0.06 -0.66 -0.02 0.00 1.25 0.00 0.00 42.46 43.09 2iei s ILE 486 CO 0.11 -0.27 1.12 0.28 0.24 0.00 0.00 174.94 176.42 2iei s THR 487 N -1.17 4.48 -0.77 8.37 -1.32 -1.26 -1.08 115.64 122.89 2iei s THR 487 Ca -0.07 1.78 0.17 0.00 -1.21 0.00 0.00 61.69 62.36 2iei s THR 487 Cb -0.09 -4.14 0.16 0.00 -1.51 0.00 0.00 72.50 66.92 2iei s THR 487 CO 0.01 -0.01 1.52 -0.81 -2.21 0.00 0.00 174.62 173.11 2iei n PRO 488 N 5.22 0.08 0.00 7.08 -0.04 -1.26 -1.01 135.00 145.06 2iei n PRO 488 Ca 0.10 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2iei n PRO 488 Cb 0.47 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 2iei n PRO 488 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2iei n ARG 489 N -1.80 0.00 -0.36 0.54 3.00 -1.26 -2.00 116.66 114.78 2iei n ARG 489 Ca 0.02 0.21 0.05 0.00 -0.01 0.00 0.00 57.85 58.12 2iei n ARG 489 Cb 0.16 -0.94 0.21 0.00 0.00 0.00 0.00 32.46 31.89 2iei n ARG 489 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2iei h ARG 490 N 0.00 1.00 -0.56 5.56 2.43 -1.97 -0.82 114.38 120.02 2iei h ARG 490 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2iei h ARG 490 Cb 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2iei h ARG 490 CO 0.00 0.66 0.00 0.91 -1.51 0.00 0.00 179.97 180.03 2iei n TRP 491 N -4.60 0.83 0.00 2.20 7.02 -0.18 -3.06 117.44 119.65 2iei n TRP 491 Ca 0.17 -0.38 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 2iei n TRP 491 Cb 0.28 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 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 0.96 -0.01 -0.08 -0.99 7.94 -1.01 -4.76 117.00 119.05 2iei n LEU 492 Ca 0.18 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.15 2iei n LEU 492 Cb 0.52 0.18 0.42 0.00 0.53 0.00 0.00 43.42 45.07 2iei n LEU 492 CO 0.14 -0.50 1.19 0.58 -1.11 0.00 0.00 177.39 177.69 2iei h VAL 493 N 0.00 1.03 0.00 1.96 2.07 -0.76 0.25 116.25 120.80 2iei h VAL 493 Ca 0.00 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2iei h VAL 493 Cb 0.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2iei h VAL 493 CO 0.00 0.11 -0.49 0.25 0.02 0.00 0.00 177.57 177.46 2iei h LEU 494 N 0.59 0.00 0.00 2.57 6.46 -1.35 -3.32 115.31 120.27 2iei h LEU 494 Ca 0.23 -0.58 -0.16 0.00 -0.12 0.00 0.00 57.88 57.25 2iei h LEU 494 Cb 0.19 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 2iei h LEU 494 CO -0.07 1.07 -0.99 0.00 -0.62 0.00 0.00 178.44 177.84 2iei n ASN 496 N -3.13 2.65 -0.17 0.00 2.85 0.86 -4.84 115.26 113.47 2iei n ASN 496 Ca -0.04 -3.27 0.01 0.00 -0.11 0.00 0.00 54.58 51.17 2iei n ASN 496 Cb 0.83 -0.62 0.28 0.00 1.24 0.00 0.00 39.78 41.51 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 3.56 0.90 -0.28 1.20 0.13 -1.66 -1.28 132.00 134.57 2iei h PRO 497 Ca 0.13 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 2iei h PRO 497 Cb 0.72 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 2iei h PRO 497 CO 0.69 0.60 0.10 0.78 -0.23 0.00 0.00 178.00 179.94 2iei h GLY 498 N 0.93 0.34 0.91 1.56 0.00 -1.91 -0.33 103.07 104.58 2iei h GLY 498 Ca 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 2iei h GLY 498 CO -0.05 0.03 -0.04 -2.00 0.00 0.00 0.00 176.54 174.48 2iei h LEU 499 N 0.22 -0.10 -1.07 3.11 5.85 -1.78 -2.54 115.31 119.00 2iei h LEU 499 Ca 0.12 -0.08 0.26 0.00 0.84 0.00 0.00 57.88 59.03 2iei h LEU 499 Cb 0.09 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 2iei h LEU 499 CO -0.12 0.01 0.61 0.00 -0.34 0.00 0.00 178.44 178.60 2iei h ALA 500 N 0.71 1.90 -0.05 1.25 0.00 -1.06 -2.31 119.26 119.70 2iei h ALA 500 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2iei h ALA 500 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2iei h ALA 500 CO 0.02 -0.38 -0.19 1.49 0.00 0.00 0.00 179.25 180.19 2iei h GLU 501 N 0.52 0.21 0.00 0.00 4.57 -0.70 -1.95 114.58 117.22 2iei h GLU 501 Ca 0.65 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.63 2iei h GLU 501 Cb 1.34 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 2iei h GLU 501 CO -0.46 0.80 -0.20 -0.84 -1.18 0.00 0.00 179.01 177.13 2iei h ILE 502 N -0.34 0.79 -0.04 2.32 3.07 -1.17 -1.72 117.51 120.42 2iei h ILE 502 Ca -0.01 -0.81 -0.03 0.00 1.55 0.00 0.00 64.86 65.56 2iei h ILE 502 Cb 0.83 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2iei h ILE 502 CO 0.04 0.20 -0.09 0.40 -1.05 0.00 0.00 178.15 177.65 2iei h ILE 503 N 0.00 1.44 0.00 0.16 2.04 -1.41 -3.25 117.51 116.49 2iei h ILE 503 Ca -0.00 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 2iei h ILE 503 Cb 0.47 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 2iei h ILE 503 CO 0.03 0.39 -0.21 0.00 0.00 0.00 0.00 178.15 178.36 2iei h ALA 504 N 0.44 1.34 0.00 1.87 0.00 -1.07 -2.20 119.26 119.65 2iei h ALA 504 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2iei h ALA 504 Cb 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2iei h ALA 504 CO 0.02 0.27 -0.07 0.93 0.00 0.00 0.00 179.25 180.40 2iei h GLU 505 N 0.00 0.00 0.02 0.00 5.08 -1.35 0.15 114.58 118.48 2iei h GLU 505 Ca -0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 2iei h GLU 505 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2iei h GLU 505 CO 0.03 0.07 -2.23 0.54 -1.00 0.00 0.00 179.01 176.42 2iei n ARG 506 N -3.56 0.64 -0.00 2.33 5.12 -0.87 -4.77 116.66 115.55 2iei n ARG 506 Ca -0.02 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 2iei n ARG 506 Cb 0.19 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 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 -3.80 0.11 -1.00 0.55 -5.35 -0.94 -5.13 119.36 103.80 2iei n ILE 507 Ca -0.44 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 2iei n ILE 507 Cb 0.92 0.96 0.00 0.00 -1.74 0.00 0.00 39.64 39.78 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 -0.01 -2.53 0.65 3.28 0.00 0.52 -4.57 105.19 102.53 2iei n GLY 508 Ca 0.00 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.51 1.84 0.28 1.61 1.02 -1.26 -4.24 120.64 119.37 2iei n GLU 509 Ca 0.00 -1.31 0.11 0.00 -0.02 0.00 0.00 57.16 55.95 2iei n GLU 509 Cb 0.00 -1.47 0.77 0.00 -0.02 0.00 0.00 31.44 30.71 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 3.19 0.00 0.00 3.49 4.81 -1.98 -2.79 114.58 121.30 2iei h GLU 510 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2iei h GLU 510 Cb 0.71 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 2iei h GLU 510 CO 0.00 0.02 -0.06 0.10 -0.73 0.00 0.00 179.01 178.34 2iei h TYR 511 N 0.00 0.00 -0.77 0.92 -0.00 -1.80 -3.09 116.97 112.22 2iei h TYR 511 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 58.73 58.86 2iei h TYR 511 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 36.69 2iei h TYR 511 CO 0.00 0.06 0.36 0.82 -0.00 0.00 0.00 178.16 179.40 2iei h ILE 512 N 0.00 0.74 -0.21 -0.90 1.08 -1.84 -1.55 117.51 114.83 2iei h ILE 512 Ca -0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2iei h ILE 512 Cb 0.14 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2iei h ILE 512 CO 0.01 0.10 0.00 -1.54 -0.69 0.00 0.00 178.15 176.03 2iei n SER 513 N -4.92 3.44 -2.95 1.72 3.41 -1.19 -4.66 113.62 108.47 2iei n SER 513 Ca 0.14 -2.91 -0.14 0.00 -0.26 0.00 0.00 58.87 55.70 2iei n SER 513 Cb 0.38 -0.48 0.02 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 -0.61 -1.08 0.18 4.04 2.03 -0.62 -5.04 116.55 115.46 2iei n ASP 514 Ca 0.19 -3.25 0.12 0.00 0.52 0.00 0.00 54.79 52.37 2iei n ASP 514 Cb 0.78 0.72 0.66 0.00 -0.72 0.00 0.00 41.12 42.56 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 3.36 0.00 -2.23 -2.67 5.85 -1.74 -1.37 115.31 116.51 2iei h LEU 515 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2iei h LEU 515 Cb 1.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2iei h LEU 515 CO 0.33 0.00 -0.05 0.44 -0.34 0.00 0.00 178.44 178.82 2iei h ASP 516 N 0.00 0.00 0.28 1.25 3.32 -1.85 -2.49 116.42 116.93 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 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2iei h ASP 516 CO 0.00 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 2iei n GLN 517 N -3.50 0.17 0.33 3.56 6.02 -0.52 -2.10 117.38 121.34 2iei n GLN 517 Ca -0.02 0.56 0.22 0.00 -0.01 0.00 0.00 57.00 57.75 2iei n GLN 517 Cb 0.17 -1.94 1.18 0.00 1.02 0.00 0.00 30.24 30.67 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 -1.34 1.08 3.38 -1.68 -1.55 115.31 115.20 2iei h LEU 518 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2iei h LEU 518 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2iei h LEU 518 CO 0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 2iei h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.83 -0.91 114.38 116.86 2iei h ARG 519 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2iei h ARG 519 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2iei h ARG 519 CO 0.00 0.00 -0.10 0.87 -1.07 0.00 0.00 179.97 179.67 2iei h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.53 -2.75 116.57 113.90 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2iei h LYS 520 CO 0.00 0.10 0.00 1.28 -0.57 0.00 0.00 179.45 180.26 2iei n LEU 521 N -3.46 0.59 0.08 2.94 4.77 -0.34 -2.67 117.00 118.91 2iei n LEU 521 Ca -0.01 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 2iei n LEU 521 Cb 0.26 -0.49 0.52 0.00 -2.33 0.00 0.00 43.42 41.38 2iei n LEU 521 CO 0.29 -0.38 1.13 -0.07 -1.33 0.00 0.00 177.39 177.03 2iei h LEU 522 N 0.00 0.28 -1.78 2.23 3.38 -1.65 -1.61 115.31 116.16 2iei h LEU 522 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2iei h LEU 522 Cb 0.46 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2iei h LEU 522 CO 0.00 0.20 -0.10 0.28 0.09 0.00 0.00 178.44 178.91 2iei h SER 523 N 0.33 0.00 -0.57 -0.43 0.02 -1.72 -2.99 113.55 108.19 2iei h SER 523 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2iei h SER 523 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2iei h SER 523 CO -0.02 0.10 0.00 -1.22 -1.14 0.00 0.00 176.83 174.54 2iei n TYR 524 N -3.38 1.06 0.22 3.45 4.02 -0.61 -4.47 117.16 117.45 2iei n TYR 524 Ca -0.01 -0.46 0.08 0.00 -0.01 0.00 0.00 57.90 57.50 2iei n TYR 524 Cb 0.27 -0.12 0.52 0.00 -0.02 0.00 0.00 39.34 40.00 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 3.47 0.89 -0.34 -0.72 3.04 -1.57 -2.11 116.25 118.90 2iei h VAL 525 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 2iei h VAL 525 Cb 1.06 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 2iei h VAL 525 CO 0.11 0.24 0.00 0.47 -1.01 0.00 0.00 177.57 177.38 2iei n ASP 526 N -3.84 3.37 -4.66 3.17 8.00 -1.26 -4.89 116.55 116.44 2iei n ASP 526 Ca -0.02 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.08 2iei n ASP 526 Cb 0.33 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.51 7.09 0.26 -2.24 -1.08 -0.80 -4.95 116.67 113.45 2iei s ASP 527 Ca 0.36 1.38 -0.04 0.00 -0.52 0.00 0.00 52.55 53.73 2iei s ASP 527 Cb 0.22 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.46 2iei s ASP 527 CO 0.31 -0.68 1.89 -0.33 0.52 0.00 0.00 175.17 176.87 2iei h GLU 528 N 7.51 1.13 -0.30 4.34 4.39 -1.93 -2.19 114.58 127.52 2iei h GLU 528 Ca -0.19 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.27 2iei h GLU 528 Cb 1.06 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2iei h GLU 528 CO 0.98 0.82 -0.24 0.00 -1.16 0.00 0.00 179.01 179.41 2iei h ALA 529 N 1.35 0.44 -0.48 3.43 0.00 -1.95 -2.47 119.26 119.58 2iei h ALA 529 Ca 0.29 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2iei h ALA 529 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2iei h ALA 529 CO -0.05 0.42 -0.17 0.35 0.00 0.00 0.00 179.25 179.81 2iei h PHE 530 N 0.45 1.04 -0.10 0.00 3.57 -1.83 0.75 116.94 120.82 2iei h PHE 530 Ca 0.06 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 2iei h PHE 530 Cb 0.80 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 2iei h PHE 530 CO 0.07 1.01 0.06 0.82 -2.23 0.00 0.00 178.31 178.04 2iei h ILE 531 N 0.81 1.07 -0.47 1.41 2.04 -1.44 0.37 117.51 121.31 2iei h ILE 531 Ca 0.12 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2iei h ILE 531 Cb 0.71 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2iei h ILE 531 CO 0.05 0.07 0.24 0.03 0.00 0.00 0.00 178.15 178.54 2iei h ARG 532 N 0.09 0.46 -0.51 2.37 3.08 -1.30 -2.15 114.38 116.41 2iei h ARG 532 Ca 0.04 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2iei h ARG 532 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2iei h ARG 532 CO -0.01 0.31 0.05 -0.44 -1.07 0.00 0.00 179.97 178.80 2iei h ASP 533 N 0.47 0.85 -0.59 7.04 3.32 -0.61 0.37 116.42 127.27 2iei h ASP 533 Ca 0.20 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2iei h ASP 533 Cb 0.10 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2iei h ASP 533 CO -0.14 0.92 0.28 0.58 -1.72 0.00 0.00 179.24 179.16 2iei h VAL 534 N 0.75 1.21 -0.57 -1.35 2.07 -0.84 -1.73 116.25 115.79 2iei h VAL 534 Ca 0.15 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 2iei h VAL 534 Cb 0.46 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2iei h VAL 534 CO 0.02 0.25 -0.05 0.00 0.02 0.00 0.00 177.57 177.80 2iei h ALA 535 N 1.11 0.82 -0.40 1.67 0.00 -1.23 -2.83 119.26 118.41 2iei h ALA 535 Ca 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2iei h ALA 535 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2iei h ALA 535 CO -0.02 0.67 0.25 -0.22 0.00 0.00 0.00 179.25 179.92 2iei h LYS 536 N 0.93 0.49 -0.10 0.00 3.64 -0.66 -2.09 116.57 118.79 2iei h LYS 536 Ca 0.16 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2iei h LYS 536 Cb 0.61 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2iei h LYS 536 CO 0.04 0.33 -0.56 -0.39 -2.27 0.00 0.00 179.45 176.60 2iei h VAL 537 N 0.51 1.36 0.01 2.00 -1.51 -1.30 -1.75 116.25 115.57 2iei h VAL 537 Ca 0.15 -1.86 -0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2iei h VAL 537 Cb -0.03 1.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2iei h VAL 537 CO -0.05 0.56 -0.01 0.50 -1.23 0.00 0.00 177.57 177.34 2iei h LYS 538 N 0.23 -0.02 -0.99 5.19 1.63 -1.39 -0.86 116.57 120.36 2iei h LYS 538 Ca 0.00 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 2iei h LYS 538 Cb 1.05 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.61 2iei h LYS 538 CO 0.09 0.33 0.63 0.37 -3.45 0.00 0.00 179.45 177.42 2iei h GLN 539 N -0.36 1.03 -0.61 1.90 5.75 -1.36 -0.02 115.11 121.44 2iei h GLN 539 Ca -0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2iei h GLN 539 Cb 0.35 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2iei h GLN 539 CO 0.00 0.68 0.37 0.93 -2.65 0.00 0.00 178.83 178.16 2iei h GLU 540 N 1.06 0.82 -0.54 1.69 5.08 -1.18 -1.07 114.58 120.44 2iei h GLU 540 Ca 0.46 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.67 2iei h GLU 540 Cb 0.34 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2iei h GLU 540 CO -0.21 0.59 0.03 -0.91 -1.00 0.00 0.00 179.01 177.51 2iei h ASN 541 N 0.82 0.87 0.00 1.42 2.35 -0.38 -2.02 115.58 118.64 2iei h ASN 541 Ca 0.22 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 2iei h ASN 541 Cb -0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2iei h ASN 541 CO -0.04 0.91 -0.24 0.11 -1.65 0.00 0.00 177.43 176.52 2iei h LYS 542 N 0.84 0.39 -0.23 0.81 1.57 -0.72 -1.93 116.57 117.31 2iei h LYS 542 Ca 0.16 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 2iei h LYS 542 Cb 0.45 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2iei h LYS 542 CO 0.02 0.61 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.84 2iei h LEU 543 N 0.35 0.87 -0.39 2.94 3.38 -0.98 -1.88 115.31 119.60 2iei h LEU 543 Ca 0.05 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2iei h LEU 543 Cb 0.62 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2iei h LEU 543 CO 0.04 1.27 0.16 0.11 0.09 0.00 0.00 178.44 180.11 2iei h LYS 544 N 0.58 0.59 -0.38 1.13 1.57 -1.17 -1.03 116.57 117.85 2iei h LYS 544 Ca -0.00 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 2iei h LYS 544 Cb 1.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 2iei h LYS 544 CO 0.13 0.56 -0.20 0.35 -0.57 0.00 0.00 179.45 179.72 2iei h PHE 545 N 0.49 0.82 -0.09 -1.35 3.57 -1.38 -0.77 116.94 118.23 2iei h PHE 545 Ca 0.13 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 2iei h PHE 545 Cb 0.19 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2iei h PHE 545 CO -0.00 0.87 -0.21 0.00 -2.23 0.00 0.00 178.31 176.74 2iei h ALA 546 N 1.13 1.48 -0.07 2.41 0.00 -1.17 -0.94 119.26 122.10 2iei h ALA 546 Ca 0.10 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 2iei h ALA 546 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2iei h ALA 546 CO 0.05 0.38 -0.84 0.00 0.00 0.00 0.00 179.25 178.84 2iei h ALA 547 N 1.64 0.39 -0.31 0.00 0.00 -0.89 -2.83 119.26 117.27 2iei h ALA 547 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.31 2iei h ALA 547 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2iei h ALA 547 CO 0.03 0.74 0.16 -0.92 0.00 0.00 0.00 179.25 179.26 2iei h TYR 548 N 0.36 0.30 -0.60 0.00 5.03 -0.60 -0.39 116.97 121.07 2iei h TYR 548 Ca -0.06 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.19 2iei h TYR 548 Cb 1.45 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.62 2iei h TYR 548 CO 0.07 0.17 0.09 -0.07 -1.32 0.00 0.00 178.16 177.09 2iei h LEU 549 N 0.33 0.96 -0.52 2.82 4.07 -1.26 -1.26 115.31 120.45 2iei h LEU 549 Ca 0.13 -0.26 -0.11 0.00 0.08 0.00 0.00 57.88 57.71 2iei h LEU 549 Cb 0.03 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 2iei h LEU 549 CO -0.08 0.98 -0.12 -0.08 -1.08 0.00 0.00 178.44 178.06 2iei h GLU 550 N 0.91 1.00 0.30 1.13 4.57 -1.38 -2.17 114.58 118.93 2iei h GLU 550 Ca 0.18 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2iei h GLU 550 Cb 0.44 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2iei h GLU 550 CO 0.01 1.06 -0.14 -0.09 -1.18 0.00 0.00 179.01 178.67 2iei h ARG 551 N 0.86 -0.39 0.00 1.92 2.43 -0.98 -2.62 114.38 115.60 2iei h ARG 551 Ca 0.13 0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.15 2iei h ARG 551 Cb 0.69 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2iei h ARG 551 CO 0.05 -0.05 -0.85 1.49 -1.51 0.00 0.00 179.97 179.10 2iei h GLU 552 N -0.86 0.00 0.00 0.20 4.81 -1.33 -3.38 114.58 114.02 2iei h GLU 552 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2iei h GLU 552 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2iei h GLU 552 CO 0.07 0.85 0.00 0.66 -0.73 0.00 0.00 179.01 179.86 2iei n TYR 553 N -3.48 0.00 0.00 0.92 4.01 -0.82 -5.09 117.16 112.70 2iei n TYR 553 Ca -0.00 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2iei n TYR 553 Cb 0.83 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2iei n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2iei n LYS 554 N -0.23 0.00 -3.63 -0.72 4.76 -0.99 -4.97 118.16 112.38 2iei n LYS 554 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2iei n LYS 554 Cb 0.29 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.42 2iei n LYS 554 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2iei s HIS 556 N 3.27 -0.89 0.14 2.13 2.46 -1.26 -4.95 115.29 116.19 2iei s HIS 556 Ca 0.00 1.73 0.06 0.00 0.47 0.00 0.00 55.06 57.32 2iei s HIS 556 Cb 0.00 0.53 -0.04 0.00 -0.13 0.00 0.00 32.58 32.94 2iei s HIS 556 CO 0.00 -0.44 -0.14 0.96 -2.47 0.00 0.00 174.74 172.65 2iei s ILE 557 N 1.68 1.39 -0.34 0.89 -4.36 -1.26 -5.08 121.20 114.12 2iei s ILE 557 Ca -0.09 -1.81 -0.26 0.00 -0.26 0.00 0.00 60.65 58.23 2iei s ILE 557 Cb -0.05 -1.64 0.01 0.00 1.25 0.00 0.00 42.46 42.03 2iei s ILE 557 CO -0.18 -0.46 0.94 0.21 0.24 0.00 0.00 174.94 175.69 2iei s ASN 558 N -2.62 6.74 0.50 4.36 2.47 -1.26 -4.93 114.94 120.19 2iei s ASN 558 Ca 0.11 0.72 0.32 0.00 0.42 0.00 0.00 52.86 54.44 2iei s ASN 558 Cb -0.04 -2.47 1.39 0.00 -1.45 0.00 0.00 41.25 38.68 2iei s ASN 558 CO 0.03 -0.81 1.96 -0.65 -3.72 0.00 0.00 177.10 173.91 2iei h PRO 559 N 8.31 0.00 -1.97 0.43 0.11 -2.00 -3.03 132.00 133.84 2iei h PRO 559 Ca -0.23 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.12 2iei h PRO 559 Cb 1.08 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.92 2iei h PRO 559 CO 0.98 0.00 1.06 0.09 -0.21 0.00 0.00 178.00 179.92 2iei n ASN 560 N -2.89 7.54 -4.26 -2.05 5.03 -1.26 -4.91 115.26 112.46 2iei n ASN 560 Ca 0.01 -3.84 -0.15 0.00 0.87 0.00 0.00 54.58 51.47 2iei n ASN 560 Cb 0.26 -1.07 -0.10 0.00 -1.02 0.00 0.00 39.78 37.85 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 -1.09 1.91 0.13 6.41 1.04 -1.15 -4.84 113.70 116.12 2iei s SER 561 Ca 0.52 -0.99 -0.31 0.00 0.48 0.00 0.00 55.95 55.65 2iei s SER 561 Cb 0.44 -0.03 -0.09 0.00 0.10 0.00 0.00 66.02 66.44 2iei s SER 561 CO -0.41 -0.29 1.53 -0.22 0.98 0.00 0.00 173.24 174.83 2iei s LEU 562 N -3.12 4.37 -0.54 2.42 0.20 0.17 -4.76 118.68 117.43 2iei s LEU 562 Ca 0.17 2.51 -0.20 0.00 0.69 0.00 0.00 54.13 57.30 2iei s LEU 562 Cb 0.01 -3.59 0.06 0.00 -0.43 0.00 0.00 46.19 42.25 2iei s LEU 562 CO 0.02 -0.79 0.72 -0.36 -0.29 0.00 0.00 176.35 175.65 2iei s PHE 563 N 1.39 2.97 -0.44 5.38 0.40 -1.26 -0.20 117.98 126.22 2iei s PHE 563 Ca 0.69 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 2iei s PHE 563 Cb -0.41 -3.76 0.08 0.00 0.51 0.00 0.00 43.02 39.44 2iei s PHE 563 CO 0.31 -1.17 0.31 0.34 0.70 0.00 0.00 175.22 175.70 2iei s ASP 564 N 2.93 5.82 -0.16 1.36 -1.08 -0.80 -0.63 116.67 124.10 2iei s ASP 564 Ca 0.18 -1.43 -0.00 0.00 -0.52 0.00 0.00 52.55 50.77 2iei s ASP 564 Cb -0.19 -2.06 -0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2iei s ASP 564 CO 0.12 -0.57 -0.15 -0.69 0.52 0.00 0.00 175.17 174.40 2iei s VAL 565 N 1.50 2.68 -0.31 1.11 1.01 -0.04 -1.14 120.40 125.22 2iei s VAL 565 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2iei s VAL 565 Cb -0.23 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.09 2iei s VAL 565 CO 0.04 0.51 0.02 -1.58 0.00 0.00 0.00 175.10 174.08 2iei s GLN 566 N 0.92 1.49 -0.11 2.72 0.74 -0.46 -1.29 119.66 123.67 2iei s GLN 566 Ca -0.03 -1.52 0.01 0.00 0.05 0.00 0.00 55.36 53.87 2iei s GLN 566 Cb -0.15 -2.86 0.02 0.00 1.10 0.00 0.00 33.01 31.12 2iei s GLN 566 CO -0.02 -0.83 -0.14 0.14 -0.55 0.00 0.00 175.29 173.89 2iei s VAL 567 N 1.13 1.43 0.00 1.34 -7.23 -1.26 -1.19 120.40 114.62 2iei s VAL 567 Ca 0.05 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 2iei s VAL 567 Cb -0.19 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.43 2iei s VAL 567 CO -0.10 0.43 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 2iei n LYS 568 N 4.30 0.00 -1.66 4.82 2.85 -0.99 -4.98 118.16 122.50 2iei n LYS 568 Ca -0.18 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.69 2iei n LYS 568 Cb 0.51 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.94 2iei n LYS 568 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2iei n ARG 569 N -0.29 1.15 -3.03 -1.58 3.00 -1.26 -3.97 116.66 110.68 2iei n ARG 569 Ca 0.00 0.44 -0.40 0.00 -0.00 0.00 0.00 57.85 57.89 2iei n ARG 569 Cb 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 32.46 30.11 2iei n ARG 569 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2iei s ILE 570 N -1.42 5.01 -0.13 5.15 -1.09 -0.73 -4.90 121.20 123.09 2iei s ILE 570 Ca 0.75 1.43 -0.30 0.00 -2.23 0.00 0.00 60.65 60.30 2iei s ILE 570 Cb -0.42 -4.04 0.12 0.00 -1.58 0.00 0.00 42.46 36.53 2iei s ILE 570 CO 0.47 0.18 0.95 -2.28 -1.23 0.00 0.00 174.94 173.03 2iei s HIS 571 N 1.28 -0.40 0.24 3.97 2.46 -1.26 -4.70 115.29 116.88 2iei s HIS 571 Ca 0.36 0.64 -0.05 0.00 0.47 0.00 0.00 55.06 56.48 2iei s HIS 571 Cb -0.17 0.45 0.40 0.00 -0.13 0.00 0.00 32.58 33.13 2iei s HIS 571 CO 0.15 -0.39 1.76 0.93 -2.47 0.00 0.00 174.74 174.73 2iei h GLU 572 N 2.55 0.55 0.00 2.88 5.08 -1.96 -2.62 114.58 121.06 2iei h GLU 572 Ca -0.20 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2iei h GLU 572 Cb 1.17 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2iei h GLU 572 CO 0.32 0.37 -0.14 0.10 -1.00 0.00 0.00 179.01 178.66 2iei h TYR 573 N 0.57 0.00 0.00 4.33 -0.00 -1.96 -0.74 116.97 119.17 2iei h TYR 573 Ca 0.39 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 59.01 2iei h TYR 573 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.19 2iei h TYR 573 CO -0.12 0.14 -0.50 0.87 -0.00 0.00 0.00 178.16 178.55 2iei h LYS 574 N 0.00 0.00 -4.59 0.10 6.56 -1.83 -3.13 116.57 113.68 2iei h LYS 574 Ca -0.00 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.34 2iei h LYS 574 Cb 0.28 0.00 0.12 0.00 -0.57 0.00 0.00 32.23 32.06 2iei h LYS 574 CO 0.02 0.50 -0.54 0.54 -2.06 0.00 0.00 179.45 177.91 2iei n ARG 575 N -3.62 -5.08 0.33 3.15 1.74 -0.28 -3.98 116.66 108.91 2iei n ARG 575 Ca -0.01 0.61 0.21 0.00 -0.77 0.00 0.00 57.85 57.89 2iei n ARG 575 Cb 0.58 -4.93 1.13 0.00 -1.02 0.00 0.00 32.46 28.22 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 -1.55 0.00 -0.06 5.56 7.50 -1.83 -2.29 115.11 122.44 2iei h GLN 576 Ca -0.42 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.57 2iei h GLN 576 Cb 1.25 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.77 2iei h GLN 576 CO 0.37 0.00 -0.67 1.25 -1.50 0.00 0.00 178.83 178.28 2iei h LEU 577 N 0.00 0.31 -0.68 1.46 5.85 -1.90 -1.69 115.31 118.67 2iei h LEU 577 Ca -0.00 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2iei h LEU 577 Cb 0.03 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2iei h LEU 577 CO 0.00 0.90 0.03 0.25 -0.34 0.00 0.00 178.44 179.27 2iei h LEU 578 N 0.19 1.02 -0.59 2.25 5.85 -1.79 -2.08 115.31 120.16 2iei h LEU 578 Ca -0.02 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.46 2iei h LEU 578 Cb 1.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2iei h LEU 578 CO 0.11 1.06 0.34 -1.13 -0.34 0.00 0.00 178.44 178.47 2iei h ASN 579 N 0.97 0.54 -0.86 1.25 -0.00 -1.45 -2.06 115.58 113.96 2iei h ASN 579 Ca 0.18 0.01 0.01 0.00 -0.00 0.00 0.00 56.30 56.50 2iei h ASN 579 Cb 0.52 -0.10 -0.04 0.00 -0.00 0.00 0.00 38.32 38.70 2iei h ASN 579 CO 0.02 0.37 0.56 0.00 -0.00 0.00 0.00 177.43 178.38 2iei h LEU 581 N 1.17 0.90 -0.32 0.00 3.38 -1.05 -1.58 115.31 117.81 2iei h LEU 581 Ca 0.31 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2iei h LEU 581 Cb -0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 2iei h LEU 581 CO -0.07 0.85 -0.24 -0.74 0.09 0.00 0.00 178.44 178.33 2iei h HIS 582 N 0.94 0.86 -0.47 1.13 2.76 -0.98 -2.17 115.15 117.22 2iei h HIS 582 Ca 0.21 -0.24 0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2iei h HIS 582 Cb 0.28 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.01 2iei h HIS 582 CO 0.02 0.98 0.26 0.28 -1.30 0.00 0.00 177.93 178.16 2iei h VAL 583 N 0.49 1.01 -0.55 5.26 2.07 -0.88 -0.31 116.25 123.34 2iei h VAL 583 Ca 0.06 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 2iei h VAL 583 Cb 0.80 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2iei h VAL 583 CO 0.06 0.09 -0.12 0.40 0.02 0.00 0.00 177.57 178.03 2iei h ILE 584 N 0.51 1.27 -0.21 4.57 2.04 -1.32 -1.42 117.51 122.96 2iei h ILE 584 Ca 0.20 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.81 2iei h ILE 584 Cb 0.06 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2iei h ILE 584 CO -0.11 0.45 -0.03 0.74 0.00 0.00 0.00 178.15 179.20 2iei h THR 585 N 0.92 0.82 -0.72 -0.27 2.02 -1.06 0.92 112.91 115.55 2iei h THR 585 Ca 0.14 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.35 2iei h THR 585 Cb 0.69 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 2iei h THR 585 CO 0.05 0.01 0.47 -0.07 0.37 0.00 0.00 175.52 176.35 2iei h LEU 586 N 0.03 0.73 -0.23 2.58 3.38 -0.85 -0.22 115.31 120.74 2iei h LEU 586 Ca 0.10 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2iei h LEU 586 Cb 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2iei h LEU 586 CO -0.19 0.50 -0.23 0.22 0.09 0.00 0.00 178.44 178.83 2iei h TYR 587 N 0.85 0.67 -0.45 1.13 3.20 -0.64 -3.06 116.97 118.67 2iei h TYR 587 Ca 0.29 -0.20 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 2iei h TYR 587 Cb 0.09 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2iei h TYR 587 CO -0.00 0.89 -0.10 -0.91 -1.64 0.00 0.00 178.16 176.40 2iei h ASN 588 N 0.25 0.80 -0.20 -2.11 2.35 -0.44 -2.55 115.58 113.67 2iei h ASN 588 Ca 0.04 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 2iei h ASN 588 Cb 0.78 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2iei h ASN 588 CO 0.06 0.92 0.02 0.03 -1.65 0.00 0.00 177.43 176.82 2iei h ARG 589 N 0.73 0.45 0.00 0.81 3.08 -1.09 -1.42 114.38 116.94 2iei h ARG 589 Ca 0.12 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2iei h ARG 589 Cb 0.59 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2iei h ARG 589 CO 0.04 0.46 -0.71 -0.84 -1.07 0.00 0.00 179.97 177.85 2iei h ILE 590 N 0.44 1.31 0.00 2.04 -0.00 -1.40 -2.37 117.51 117.53 2iei h ILE 590 Ca 0.10 -2.62 -0.13 0.00 -0.00 0.00 0.00 64.86 62.21 2iei h ILE 590 Cb 0.25 2.50 -0.02 0.00 -0.00 0.00 0.00 36.82 39.55 2iei h ILE 590 CO 0.00 0.70 -0.63 0.11 -0.00 0.00 0.00 178.15 178.33 2iei h LYS 591 N 0.00 0.00 0.15 0.16 1.79 -1.04 -1.97 116.57 115.66 2iei h LYS 591 Ca -0.01 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 2iei h LYS 591 Cb 1.44 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.10 2iei h LYS 591 CO 0.09 0.63 -1.27 1.57 -1.08 0.00 0.00 179.45 179.39 2iei h LYS 592 N 0.00 0.34 -2.42 3.15 2.10 -1.31 -3.40 116.57 115.04 2iei h LYS 592 Ca -0.01 -0.57 -0.60 0.00 -2.00 0.00 0.00 60.65 57.48 2iei h LYS 592 Cb 1.36 0.21 -0.41 0.00 -0.90 0.00 0.00 32.23 32.49 2iei h LYS 592 CO 0.08 1.26 -0.74 0.39 -2.00 0.00 0.00 179.45 178.45 2iei n GLU 593 N -3.59 1.67 0.17 0.07 -0.58 -0.89 -4.99 120.64 112.50 2iei n GLU 593 Ca -0.10 -4.14 0.04 0.00 -0.42 0.00 0.00 57.16 52.54 2iei n GLU 593 Cb 1.03 -1.98 0.47 0.00 -0.57 0.00 0.00 31.44 30.38 2iei n GLU 593 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2iei h PRO 594 N 4.67 0.13 0.00 3.49 0.11 -1.57 -2.62 132.00 136.20 2iei h PRO 594 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2iei h PRO 594 Cb 0.76 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2iei h PRO 594 CO 0.67 0.25 -0.28 0.09 -0.21 0.00 0.00 178.00 178.52 2iei n ASN 595 N -4.34 0.59 -4.72 -2.05 5.03 -1.26 -4.87 115.26 103.65 2iei n ASN 595 Ca -0.01 0.30 -0.42 0.00 0.87 0.00 0.00 54.58 55.32 2iei n ASN 595 Cb 0.22 -0.29 -0.03 0.00 -1.02 0.00 0.00 39.78 38.67 2iei n ASN 595 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2iei s LYS 596 N -3.09 4.37 0.30 3.52 2.20 -0.99 -4.98 119.74 121.07 2iei s LYS 596 Ca 0.10 1.94 -0.29 0.00 -0.36 0.00 0.00 55.97 57.36 2iei s LYS 596 Cb 0.14 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 33.08 2iei s LYS 596 CO 0.64 -0.35 1.31 0.12 -0.36 0.00 0.00 175.35 176.71 2iei s PHE 597 N 1.04 3.10 -0.01 4.03 5.36 -1.26 -5.04 117.98 125.21 2iei s PHE 597 Ca 0.62 1.36 0.03 0.00 -0.96 0.00 0.00 56.93 57.98 2iei s PHE 597 Cb -0.34 -3.66 -0.01 0.00 -0.34 0.00 0.00 43.02 38.68 2iei s PHE 597 CO 0.30 -1.88 -0.10 0.14 -1.46 0.00 0.00 175.22 172.22 2iei s VAL 598 N -0.84 0.79 -0.04 3.12 -7.23 -1.26 -5.11 120.40 109.83 2iei s VAL 598 Ca 0.51 -0.42 -0.31 0.00 -1.81 0.00 0.00 61.98 59.95 2iei s VAL 598 Cb -0.39 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 35.79 2iei s VAL 598 CO 0.49 0.23 2.00 0.52 -0.31 0.00 0.00 175.10 178.02 2iei n VAL 599 N 2.92 0.65 -1.72 1.32 0.31 -1.26 -4.89 118.33 115.66 2iei n VAL 599 Ca -0.14 -0.18 -0.43 0.00 -0.01 0.00 0.00 64.34 63.58 2iei n VAL 599 Cb 0.56 -2.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 2iei n VAL 599 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2iei n PRO 600 N 7.51 2.55 -4.59 5.55 -0.02 -1.26 -4.88 135.00 139.86 2iei n PRO 600 Ca 0.23 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 62.39 2iei n PRO 600 Cb 0.38 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.04 2iei n PRO 600 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2iei s ARG 601 N -0.14 1.21 -0.36 -0.52 0.52 -0.74 0.44 118.95 119.36 2iei s ARG 601 Ca 0.67 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 55.15 2iei s ARG 601 Cb -0.54 -1.23 0.10 0.00 0.52 0.00 0.00 34.95 33.80 2iei s ARG 601 CO 0.45 0.32 0.10 0.99 0.02 0.00 0.00 175.30 177.19 2iei s THR 602 N -0.65 2.69 -0.35 0.02 2.01 0.72 -1.92 115.64 118.16 2iei s THR 602 Ca 0.05 -2.18 -0.21 0.00 0.31 0.00 0.00 61.69 59.66 2iei s THR 602 Cb -0.07 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2iei s THR 602 CO 0.01 -0.60 0.69 -0.69 -0.69 0.00 0.00 174.62 173.34 2iei s VAL 603 N 1.01 4.84 -0.18 3.82 1.01 0.66 -1.90 120.40 129.67 2iei s VAL 603 Ca 0.09 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2iei s VAL 603 Cb -0.21 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2iei s VAL 603 CO -0.06 -0.32 -0.08 -0.04 0.00 0.00 0.00 175.10 174.59 2iei s MET 604 N 2.84 3.38 -0.11 2.72 -1.94 -0.29 -1.04 119.30 124.86 2iei s MET 604 Ca 0.27 -0.65 0.03 0.00 -1.71 0.00 0.00 55.69 53.64 2iei s MET 604 Cb -0.14 -2.83 0.00 0.00 2.01 0.00 0.00 34.83 33.87 2iei s MET 604 CO 0.15 -0.01 -0.23 0.42 -0.01 0.00 0.00 175.02 175.34 2iei s ILE 605 N 0.96 2.13 0.05 2.53 1.01 -0.60 -1.36 121.20 125.91 2iei s ILE 605 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.68 2iei s ILE 605 Cb -0.15 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2iei s ILE 605 CO -0.00 0.56 -0.10 -0.83 0.00 0.00 0.00 174.94 174.56 2iei s GLY 606 N 0.44 0.61 0.00 6.18 0.00 -0.33 0.20 107.32 114.43 2iei s GLY 606 Ca -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2iei s GLY 606 CO 0.06 -0.85 0.00 0.61 0.00 0.00 0.00 173.10 172.92 2iei n GLY 607 N 1.48 3.61 3.87 0.20 0.00 -1.25 -2.34 105.19 110.76 2iei n GLY 607 Ca -0.22 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.32 3.63 -0.01 1.61 1.02 -1.26 -4.76 119.74 117.65 2iei s LYS 608 Ca 0.00 0.03 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 2iei s LYS 608 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2iei s LYS 608 CO 0.00 0.67 0.15 0.00 -0.92 0.00 0.00 175.35 175.25 2iei s ALA 609 N -1.23 3.84 0.08 5.17 0.00 -1.26 -1.77 121.76 126.59 2iei s ALA 609 Ca 0.25 -0.79 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 2iei s ALA 609 Cb -0.14 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.11 2iei s ALA 609 CO 0.14 0.72 1.53 0.00 0.00 0.00 0.00 175.76 178.15 2iei s ALA 610 N -1.27 3.66 0.65 0.00 0.00 -1.26 -4.88 121.76 118.66 2iei s ALA 610 Ca 0.25 1.14 0.28 0.00 0.00 0.00 0.00 51.96 53.63 2iei s ALA 610 Cb -0.12 -3.63 1.52 0.00 0.00 0.00 0.00 23.12 20.88 2iei s ALA 610 CO 0.16 -0.91 1.86 -1.35 0.00 0.00 0.00 175.76 175.53 2iei h PRO 611 N 7.67 0.00 0.14 0.00 0.11 -1.98 -0.53 132.00 137.41 2iei h PRO 611 Ca -0.41 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.34 2iei h PRO 611 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2iei h PRO 611 CO 0.91 0.00 -1.91 0.78 -0.21 0.00 0.00 178.00 177.56 2iei h GLY 612 N 0.00 0.34 -7.13 -0.55 0.00 -1.96 -3.46 103.07 90.31 2iei h GLY 612 Ca 0.03 -0.87 -0.58 0.00 0.00 0.00 0.00 47.33 45.90 2iei h GLY 612 CO -0.00 0.77 1.56 2.98 0.00 0.00 0.00 176.54 181.84 2iei n TYR 613 N -3.54 1.21 0.05 5.60 4.19 -0.21 -4.85 117.16 119.61 2iei n TYR 613 Ca -0.30 0.32 -0.18 0.00 3.31 0.00 0.00 57.90 61.05 2iei n TYR 613 Cb 1.05 -2.48 -0.09 0.00 0.49 0.00 0.00 39.34 38.31 2iei n TYR 613 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 2iei h HIS 614 N 13.53 0.94 -0.50 2.98 -0.00 -1.90 -3.05 115.15 127.16 2iei h HIS 614 Ca -0.18 -0.51 -0.11 0.00 -0.00 0.00 0.00 60.37 59.57 2iei h HIS 614 Cb 1.32 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.60 2iei h HIS 614 CO 1.00 1.34 -0.12 1.98 -0.00 0.00 0.00 177.93 182.13 2iei h MET 615 N 0.36 0.93 -0.46 5.26 1.85 -1.97 -2.04 114.93 118.86 2iei h MET 615 Ca -0.12 -0.34 -0.11 0.00 -0.61 0.00 0.00 59.70 58.53 2iei h MET 615 Cb 1.66 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.61 2iei h MET 615 CO 0.19 0.99 -0.14 0.00 -0.40 0.00 0.00 176.91 177.56 2iei h ALA 616 N 1.03 0.89 -0.43 0.39 0.00 -1.91 -1.90 119.26 117.33 2iei h ALA 616 Ca 0.13 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2iei h ALA 616 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2iei h ALA 616 CO 0.05 0.63 -0.06 0.87 0.00 0.00 0.00 179.25 180.74 2iei h LYS 617 N 0.76 0.74 -0.67 0.00 1.57 -1.44 -2.60 116.57 114.93 2iei h LYS 617 Ca 0.12 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 2iei h LYS 617 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2iei h LYS 617 CO 0.05 0.79 0.21 0.52 -0.57 0.00 0.00 179.45 180.45 2iei h MET 618 N 0.68 1.04 -0.29 3.15 2.86 -1.17 -2.76 114.93 118.44 2iei h MET 618 Ca 0.13 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2iei h MET 618 Cb 0.51 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 2iei h MET 618 CO 0.03 0.90 0.12 0.82 1.06 0.00 0.00 176.91 179.84 2iei h ILE 619 N 0.98 0.96 -0.62 -1.22 2.04 -1.11 0.26 117.51 118.80 2iei h ILE 619 Ca 0.22 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2iei h ILE 619 Cb 0.29 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2iei h ILE 619 CO -0.01 0.05 0.39 0.40 0.00 0.00 0.00 178.15 178.98 2iei h ILE 620 N 0.26 1.10 -0.09 -0.67 2.04 -1.41 -0.80 117.51 117.95 2iei h ILE 620 Ca 0.12 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 2iei h ILE 620 Cb 0.07 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2iei h ILE 620 CO -0.10 0.14 -0.38 0.50 0.00 0.00 0.00 178.15 178.31 2iei h LYS 621 N 0.78 0.19 -0.54 2.37 1.63 -1.26 -2.37 116.57 117.37 2iei h LYS 621 Ca 0.24 -0.08 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 2iei h LYS 621 Cb -0.02 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2iei h LYS 621 CO -0.09 0.55 0.02 1.25 -3.45 0.00 0.00 179.45 177.73 2iei h LEU 622 N 0.16 0.88 -0.44 5.20 7.12 -0.20 0.61 115.31 128.64 2iei h LEU 622 Ca 0.02 -0.22 -0.06 0.00 0.13 0.00 0.00 57.88 57.75 2iei h LEU 622 Cb 0.75 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 2iei h LEU 622 CO 0.06 0.93 0.04 0.40 -0.13 0.00 0.00 178.44 179.74 2iei h ILE 623 N 0.85 1.25 -0.21 4.05 2.04 -0.88 -1.72 117.51 122.88 2iei h ILE 623 Ca 0.16 -0.95 -0.14 0.00 1.00 0.00 0.00 64.86 64.93 2iei h ILE 623 Cb 0.47 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2iei h ILE 623 CO 0.02 0.33 -0.47 0.71 0.00 0.00 0.00 178.15 178.74 2iei h THR 624 N 0.60 1.31 -0.61 -0.27 1.35 -1.35 -2.26 112.91 111.68 2iei h THR 624 Ca 0.13 -1.67 -0.06 0.00 -0.55 0.00 0.00 66.41 64.26 2iei h THR 624 Cb 0.43 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 2iei h THR 624 CO 0.01 0.52 0.14 0.00 -0.25 0.00 0.00 175.52 175.94 2iei h ALA 625 N 1.05 0.80 0.91 6.62 0.00 -0.72 0.88 119.26 128.81 2iei h ALA 625 Ca 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2iei h ALA 625 Cb 0.98 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2iei h ALA 625 CO 0.09 0.52 -0.44 0.82 0.00 0.00 0.00 179.25 180.24 2iei h ILE 626 N 0.89 0.10 -1.08 0.00 2.04 -1.34 -2.81 117.51 115.31 2iei h ILE 626 Ca 0.19 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.41 2iei h ILE 626 Cb 0.37 0.10 -0.15 0.00 -0.74 0.00 0.00 36.82 36.40 2iei h ILE 626 CO 0.00 0.00 0.63 1.23 0.00 0.00 0.00 178.15 180.02 2iei h GLY 627 N -1.23 1.89 1.85 5.37 0.00 -1.21 0.99 103.07 110.73 2iei h GLY 627 Ca -0.13 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2iei h GLY 627 CO 0.20 -0.52 -0.22 -0.55 0.00 0.00 0.00 176.54 175.45 2iei h ASP 628 N 0.21 0.17 0.00 0.19 3.32 -0.56 -1.28 116.42 118.46 2iei h ASP 628 Ca 0.77 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.70 2iei h ASP 628 Cb 1.99 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.48 2iei h ASP 628 CO -0.58 0.41 -0.49 0.58 -1.72 0.00 0.00 179.24 177.44 2iei h VAL 629 N 0.17 0.83 -0.90 -1.35 2.07 -0.74 -3.38 116.25 112.94 2iei h VAL 629 Ca 0.03 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.77 2iei h VAL 629 Cb 0.49 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2iei h VAL 629 CO 0.03 0.28 0.58 0.58 0.02 0.00 0.00 177.57 179.07 2iei h VAL 630 N -1.00 1.24 0.00 2.57 2.07 -1.26 -2.54 116.25 117.32 2iei h VAL 630 Ca -0.11 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2iei h VAL 630 Cb 0.81 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2iei h VAL 630 CO -0.07 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.35 2iei n ASN 631 N -4.39 0.00 0.00 0.57 4.13 -0.49 -3.44 115.26 111.65 2iei n ASN 631 Ca 0.10 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2iei n ASN 631 Cb 0.03 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 2iei n ASN 631 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2iei n HIS 632 N -1.26 0.00 -2.57 3.10 8.25 -0.99 -4.91 115.22 116.83 2iei n HIS 632 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 2iei n HIS 632 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -0.01 6.69 0.59 0.41 -1.08 -1.00 -4.93 116.67 117.35 2iei s ASP 633 Ca 0.00 0.73 0.29 0.00 -0.52 0.00 0.00 52.55 53.04 2iei s ASP 633 Cb 0.00 -2.55 1.71 0.00 -1.46 0.00 0.00 42.92 40.62 2iei s ASP 633 CO 0.00 -1.15 2.16 -0.65 0.52 0.00 0.00 175.17 176.05 2iei h PRO 634 N 9.04 0.00 0.00 4.34 0.11 -1.93 -0.24 132.00 143.33 2iei h PRO 634 Ca -0.23 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.81 2iei h PRO 634 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2iei h PRO 634 CO 1.09 0.00 -0.32 0.28 -0.21 0.00 0.00 178.00 178.84 2iei h VAL 635 N 0.00 0.75 0.00 3.15 2.07 -1.96 -3.33 116.25 116.93 2iei h VAL 635 Ca 0.05 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 2iei h VAL 635 Cb 0.29 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2iei h VAL 635 CO -0.00 0.31 -0.45 0.58 0.02 0.00 0.00 177.57 178.03 2iei h VAL 636 N 0.00 0.21 0.00 2.57 2.07 -1.37 -3.49 116.25 116.25 2iei h VAL 636 Ca -0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2iei h VAL 636 Cb 0.86 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2iei h VAL 636 CO 0.04 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.31 2iei n GLY 637 N 1.63 3.01 0.00 2.17 0.00 -0.94 -1.91 105.19 109.15 2iei n GLY 637 Ca -0.09 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.87 2iei n GLY 637 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2iei n ASP 638 N 2.54 0.00 0.06 1.61 8.00 -1.26 -3.74 116.55 123.77 2iei n ASP 638 Ca 0.00 -0.38 -0.18 0.00 0.71 0.00 0.00 54.79 54.94 2iei n ASP 638 Cb 0.00 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 2iei n ASP 638 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2iei h ARG 639 N 0.00 0.57 -3.43 -1.24 3.08 -1.73 -3.44 114.38 108.21 2iei h ARG 639 Ca 0.00 -0.64 -0.29 0.00 0.07 0.00 0.00 59.98 59.12 2iei h ARG 639 Cb 0.04 0.19 -0.34 0.00 0.08 0.00 0.00 29.97 29.94 2iei h ARG 639 CO 0.00 1.25 -0.70 -1.17 -1.07 0.00 0.00 179.97 178.28 2iei s LEU 640 N -7.91 0.87 -0.02 3.04 2.96 -1.24 -1.80 118.68 114.58 2iei s LEU 640 Ca -0.08 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2iei s LEU 640 Cb 0.07 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.79 2iei s LEU 640 CO 0.90 -0.15 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.50 2iei s ARG 641 N 1.24 1.33 -0.18 1.98 1.81 -0.81 -4.67 118.95 119.66 2iei s ARG 641 Ca -0.07 -0.55 0.01 0.00 -1.72 0.00 0.00 55.73 53.39 2iei s ARG 641 Cb -0.13 -1.26 0.03 0.00 -0.45 0.00 0.00 34.95 33.15 2iei s ARG 641 CO -0.04 0.30 -0.13 0.08 -0.68 0.00 0.00 175.30 174.84 2iei s VAL 642 N -0.26 1.65 -0.03 3.52 1.01 -1.26 -0.24 120.40 124.79 2iei s VAL 642 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2iei s VAL 642 Cb -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2iei s VAL 642 CO -0.00 0.32 -0.10 -0.63 0.00 0.00 0.00 175.10 174.69 2iei s ILE 643 N 1.42 0.83 -0.31 2.22 1.01 -0.20 -4.38 121.20 121.80 2iei s ILE 643 Ca 0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 2iei s ILE 643 Cb -0.15 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 2iei s ILE 643 CO -0.10 0.26 0.60 0.12 0.00 0.00 0.00 174.94 175.83 2iei s PHE 644 N 0.15 3.21 -0.56 3.97 5.36 -1.26 -1.56 117.98 127.29 2iei s PHE 644 Ca -0.03 0.51 -0.28 0.00 -0.96 0.00 0.00 56.93 56.18 2iei s PHE 644 Cb -0.08 -2.97 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 2iei s PHE 644 CO 0.01 -0.48 1.38 -0.51 -1.46 0.00 0.00 175.22 174.16 2iei s LEU 645 N 2.57 3.42 0.39 6.12 1.02 0.13 -4.95 118.68 127.38 2iei s LEU 645 Ca 0.24 0.29 -0.27 0.00 0.02 0.00 0.00 54.13 54.41 2iei s LEU 645 Cb -0.15 -3.09 -0.09 0.00 0.02 0.00 0.00 46.19 42.88 2iei s LEU 645 CO 0.12 -1.66 1.32 -0.70 0.02 0.00 0.00 176.35 175.45 2iei s GLU 646 N 5.40 4.05 -1.35 1.70 2.12 -1.26 -4.03 118.70 125.33 2iei s GLU 646 Ca 0.51 2.21 -0.05 0.00 0.36 0.00 0.00 54.97 58.00 2iei s GLU 646 Cb -0.10 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.48 2iei s GLU 646 CO 0.25 -0.45 0.95 -1.71 -0.54 0.00 0.00 175.26 173.76 2iei n ASN 647 N 0.27 -3.40 -4.68 -1.70 5.15 -1.25 -4.91 115.26 104.76 2iei n ASN 647 Ca 0.03 -0.70 -0.45 0.00 -0.60 0.00 0.00 54.58 52.85 2iei n ASN 647 Cb 0.43 -4.48 -0.04 0.00 -0.53 0.00 0.00 39.78 35.16 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 -4.51 2.44 -3.94 1.20 9.36 -1.26 -4.85 117.16 115.61 2iei n TYR 648 Ca -0.15 -0.08 -0.12 0.00 3.32 0.00 0.00 57.90 60.87 2iei n TYR 648 Cb 0.61 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.62 2iei n TYR 648 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2iei n ARG 649 N 6.05 0.79 0.07 2.98 1.85 -1.26 -4.74 116.66 122.39 2iei n ARG 649 Ca 0.20 -2.46 -0.12 0.00 -1.00 0.00 0.00 57.85 54.48 2iei n ARG 649 Cb 0.34 2.55 -0.05 0.00 -1.05 0.00 0.00 32.46 34.25 2iei n ARG 649 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2iei h VAL 650 N 1.94 0.71 -0.71 8.89 2.07 -1.95 -0.68 116.25 126.52 2iei h VAL 650 Ca -0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.36 2iei h VAL 650 Cb 1.13 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2iei h VAL 650 CO 0.36 0.00 0.47 0.77 0.02 0.00 0.00 177.57 179.20 2iei h SER 651 N -0.22 0.45 -0.09 0.57 4.64 -1.97 -1.95 113.55 114.99 2iei h SER 651 Ca 0.03 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 2iei h SER 651 Cb 0.26 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2iei h SER 651 CO -0.09 0.26 -0.75 0.25 -0.87 0.00 0.00 176.83 175.63 2iei h LEU 652 N 0.49 0.86 -0.65 5.97 5.85 -1.69 -3.18 115.31 122.97 2iei h LEU 652 Ca 0.34 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2iei h LEU 652 Cb 0.64 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2iei h LEU 652 CO -0.11 1.34 0.26 0.00 -0.34 0.00 0.00 178.44 179.59 2iei h ALA 653 N 0.65 0.86 0.00 1.25 0.00 -0.41 -0.25 119.26 121.35 2iei h ALA 653 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2iei h ALA 653 Cb 1.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2iei h ALA 653 CO 0.15 -0.18 0.00 0.93 0.00 0.00 0.00 179.25 180.15 2iei h GLU 654 N 0.44 0.00 0.00 0.00 5.08 -1.40 -1.23 114.58 117.48 2iei h GLU 654 Ca 0.33 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2iei h GLU 654 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2iei h GLU 654 CO -0.32 0.00 -1.20 1.63 -1.00 0.00 0.00 179.01 178.12 2iei n LYS 655 N -2.59 0.53 0.03 2.33 5.02 -0.20 -4.53 118.16 118.75 2iei n LYS 655 Ca -0.01 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.60 2iei n LYS 655 Cb 0.08 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 2iei n LYS 655 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2iei h VAL 656 N -1.00 1.34 -0.18 -0.18 2.07 -1.18 -3.35 116.25 113.77 2iei h VAL 656 Ca -0.25 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2iei h VAL 656 Cb 1.06 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2iei h VAL 656 CO -0.15 0.66 0.09 0.40 0.02 0.00 0.00 177.57 178.60 2iei h ILE 657 N 0.36 1.12 -0.33 4.57 2.04 -1.46 -0.80 117.51 123.00 2iei h ILE 657 Ca -0.06 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2iei h ILE 657 Cb 1.44 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2iei h ILE 657 CO 0.15 0.11 0.51 -0.65 0.00 0.00 0.00 178.15 178.28 2iei h PRO 658 N 0.18 0.00 -0.01 2.37 0.11 -1.79 -2.54 132.00 130.32 2iei h PRO 658 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2iei h PRO 658 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2iei h PRO 658 CO -0.01 0.00 -0.53 0.00 -0.21 0.00 0.00 178.00 177.26 2iei n ALA 659 N -2.16 3.68 -1.77 -0.75 0.00 -0.35 -4.70 120.51 114.45 2iei n ALA 659 Ca 0.06 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 2iei n ALA 659 Cb 0.66 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.56 3.26 -0.24 0.00 0.00 -0.92 -4.63 121.76 116.66 2iei s ALA 660 Ca 0.18 0.66 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 2iei s ALA 660 Cb 0.18 -3.24 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 2iei s ALA 660 CO 0.61 0.03 -0.14 -0.25 0.00 0.00 0.00 175.76 176.01 2iei n ASP 661 N 0.77 1.97 -4.14 0.00 8.00 -0.04 -4.03 116.55 119.07 2iei n ASP 661 Ca 0.01 0.20 -0.33 0.00 0.71 0.00 0.00 54.79 55.38 2iei n ASP 661 Cb 0.48 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.69 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 -7.23 2.44 -0.41 0.64 2.96 0.20 0.59 118.68 117.86 2iei s LEU 662 Ca -0.34 -0.71 -0.26 0.00 -0.22 0.00 0.00 54.13 52.60 2iei s LEU 662 Cb 0.11 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.28 2iei s LEU 662 CO 0.57 -0.03 0.96 -0.55 -1.32 0.00 0.00 176.35 175.98 2iei s SER 663 N 1.30 6.62 -0.24 3.68 0.15 0.25 -0.86 113.70 124.60 2iei s SER 663 Ca 0.03 0.43 -0.27 0.00 0.70 0.00 0.00 55.95 56.85 2iei s SER 663 Cb -0.14 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2iei s SER 663 CO -0.10 -0.97 0.93 -1.61 1.20 0.00 0.00 173.24 172.68 2iei s GLU 664 N 3.70 4.21 -0.40 5.44 0.41 -0.41 -1.76 118.70 129.90 2iei s GLU 664 Ca 0.39 1.12 0.07 0.00 -0.41 0.00 0.00 54.97 56.14 2iei s GLU 664 Cb -0.11 -3.65 0.23 0.00 -1.78 0.00 0.00 34.13 28.82 2iei s GLU 664 CO 0.23 -0.58 0.48 1.04 -0.49 0.00 0.00 175.26 175.93 2iei n GLN 665 N 6.17 0.57 -0.80 1.61 1.13 -0.69 -4.74 117.38 120.63 2iei n GLN 665 Ca 0.09 -3.18 -0.04 0.00 -1.94 0.00 0.00 57.00 51.93 2iei n GLN 665 Cb 0.47 -1.34 0.20 0.00 0.11 0.00 0.00 30.24 29.68 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 1.81 2.54 -2.15 5.09 -5.35 -1.26 -2.73 119.36 117.31 2iei n ILE 666 Ca 0.23 -2.77 -0.41 0.00 -0.27 0.00 0.00 62.75 59.53 2iei n ILE 666 Cb 0.52 -0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 2iei n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2iei s SER 667 N -2.56 6.82 0.08 7.28 1.04 -1.26 -4.68 113.70 120.43 2iei s SER 667 Ca 0.44 2.51 -0.37 0.00 0.48 0.00 0.00 55.95 59.02 2iei s SER 667 Cb 0.41 -2.62 -0.17 0.00 0.10 0.00 0.00 66.02 63.73 2iei s SER 667 CO -0.01 -0.57 1.21 0.41 0.98 0.00 0.00 173.24 175.27 2iei n THR 668 N 2.25 0.23 -1.64 2.02 -1.04 -1.18 -4.67 114.28 110.25 2iei n THR 668 Ca 0.05 -0.06 -0.47 0.00 -2.04 0.00 0.00 64.05 61.53 2iei n THR 668 Cb 0.42 -0.58 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 2iei n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2iei n ALA 669 N 1.98 0.55 0.00 2.41 0.00 -1.26 -2.39 120.51 121.80 2iei n ALA 669 Ca 0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2iei n ALA 669 Cb 0.17 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 2.66 2.91 0.13 0.00 0.00 -1.26 -4.77 105.19 104.85 2iei n GLY 670 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2iei n GLY 670 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2iei h THR 671 N 0.00 0.75 -3.27 2.61 1.35 -1.82 -3.44 112.91 109.09 2iei h THR 671 Ca 0.00 -2.46 -0.64 0.00 -0.55 0.00 0.00 66.41 62.77 2iei h THR 671 Cb 0.00 2.56 -0.14 0.00 -1.73 0.00 0.00 68.15 68.84 2iei h THR 671 CO 0.00 0.83 0.36 -0.70 -0.25 0.00 0.00 175.52 175.76 2iei s GLU 672 N -2.57 3.27 0.18 4.72 2.56 -1.26 -4.71 118.70 120.88 2iei s GLU 672 Ca -0.18 -0.46 -0.15 0.00 0.00 0.00 0.00 54.97 54.18 2iei s GLU 672 Cb 0.07 -4.05 0.16 0.00 2.00 0.00 0.00 34.13 32.30 2iei s GLU 672 CO 0.80 -1.35 1.67 0.00 -0.56 0.00 0.00 175.26 175.82 2iei h ALA 673 N 9.16 0.37 0.00 6.30 0.00 -1.85 -3.07 119.26 130.17 2iei h ALA 673 Ca -0.26 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2iei h ALA 673 Cb 1.08 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2iei h ALA 673 CO 1.03 -0.43 0.00 0.45 0.00 0.00 0.00 179.25 180.30 2iei n SER 674 N -5.30 -0.00 0.00 0.00 2.88 -1.26 -4.22 113.62 105.72 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 0.26 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 1.79 -0.91 0.00 0.46 0.00 -1.26 -0.39 105.19 104.88 2iei n GLY 675 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.41 0.00 -0.31 2.61 -2.24 -1.26 -4.80 114.28 107.86 2iei n THR 676 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 2iei n THR 676 Cb 0.00 -0.10 0.29 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.56 0.08 3.38 0.00 -1.96 -0.76 103.07 105.37 2iei h GLY 677 Ca 0.00 -0.25 0.19 0.00 0.00 0.00 0.00 47.33 47.27 2iei h GLY 677 CO 0.00 -0.14 0.54 3.45 0.00 0.00 0.00 176.54 180.39 2iei h ASN 678 N 0.57 0.66 0.15 0.19 -0.00 -1.94 -1.53 115.58 113.68 2iei h ASN 678 Ca 0.54 0.11 -0.15 0.00 -0.00 0.00 0.00 56.30 56.80 2iei h ASN 678 Cb 0.90 -0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.21 2iei h ASN 678 CO -0.43 0.21 -0.54 0.24 -0.00 0.00 0.00 177.43 176.91 2iei h MET 679 N 0.67 0.42 -0.31 4.14 2.86 -1.47 -2.96 114.93 118.27 2iei h MET 679 Ca 0.56 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2iei h MET 679 Cb 0.90 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2iei h MET 679 CO -0.41 0.85 0.01 0.87 1.06 0.00 0.00 176.91 179.29 2iei h LYS 680 N 0.32 0.55 -0.87 1.72 1.57 -0.98 -2.43 116.57 116.45 2iei h LYS 680 Ca 0.01 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2iei h LYS 680 Cb 1.04 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 2iei h LYS 680 CO 0.09 0.68 0.57 0.74 -0.57 0.00 0.00 179.45 180.96 2iei h PHE 681 N 0.35 1.03 -0.52 -1.35 0.04 -1.47 -2.18 116.94 112.84 2iei h PHE 681 Ca 0.09 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 2iei h PHE 681 Cb 0.43 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 2iei h PHE 681 CO 0.03 0.59 0.00 1.98 -0.60 0.00 0.00 178.31 180.31 2iei h MET 682 N 1.06 0.92 0.00 1.51 4.05 -1.32 -1.21 114.93 119.93 2iei h MET 682 Ca 0.35 -0.29 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 2iei h MET 682 Cb 0.06 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2iei h MET 682 CO -0.11 0.94 -0.25 1.25 0.23 0.00 0.00 176.91 178.98 2iei h LEU 683 N 0.79 0.00 -1.34 3.39 5.85 -1.29 -3.28 115.31 119.43 2iei h LEU 683 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2iei h LEU 683 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2iei h LEU 683 CO 0.03 0.25 -0.25 0.59 -0.34 0.00 0.00 178.44 178.72 2iei n ASN 684 N -3.24 2.32 0.00 1.25 3.02 -0.83 -4.93 115.26 112.85 2iei n ASN 684 Ca 0.02 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 2iei n ASN 684 Cb 0.55 0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 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 1.37 1.82 3.90 7.41 0.00 -0.96 -4.77 105.19 113.98 2iei n GLY 685 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 3.95 0.55 4.61 0.00 -0.50 -4.80 121.76 123.57 2iei s ALA 686 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2iei s ALA 686 Cb 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.16 2iei s ALA 686 CO 0.00 0.74 1.00 -0.51 0.00 0.00 0.00 175.76 176.99 2iei s LEU 687 N -1.92 3.50 -0.17 0.00 1.02 0.20 -4.44 118.68 116.87 2iei s LEU 687 Ca 0.27 1.51 -0.00 0.00 0.02 0.00 0.00 54.13 55.93 2iei s LEU 687 Cb -0.13 -4.48 0.00 0.00 0.02 0.00 0.00 46.19 41.60 2iei s LEU 687 CO 0.18 -0.68 -0.14 -0.89 0.02 0.00 0.00 176.35 174.85 2iei s THR 688 N -2.80 2.68 -0.32 5.49 2.01 -1.26 0.85 115.64 122.29 2iei s THR 688 Ca 0.57 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2iei s THR 688 Cb -0.10 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 2iei s THR 688 CO 0.39 0.50 0.22 -0.51 -0.69 0.00 0.00 174.62 174.53 2iei s ILE 689 N 1.05 5.27 0.30 1.82 2.07 -0.72 -1.31 121.20 129.67 2iei s ILE 689 Ca -0.01 -0.10 -0.16 0.00 -1.41 0.00 0.00 60.65 58.98 2iei s ILE 689 Cb -0.15 -3.64 0.02 0.00 0.13 0.00 0.00 42.46 38.82 2iei s ILE 689 CO -0.04 0.08 0.64 -0.83 -1.91 0.00 0.00 174.94 172.89 2iei s GLY 690 N 1.73 0.31 0.38 1.50 0.00 -0.58 -1.71 107.32 108.95 2iei s GLY 690 Ca 0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2iei s GLY 690 CO 0.11 -0.37 0.60 -0.51 0.00 0.00 0.00 173.10 172.93 2iei s THR 691 N -3.56 5.05 -1.16 0.90 -4.23 -1.11 -1.77 115.64 109.76 2iei s THR 691 Ca 0.17 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 2iei s THR 691 Cb -0.04 -3.86 -0.07 0.00 1.34 0.00 0.00 72.50 69.88 2iei s THR 691 CO 0.10 -0.62 2.37 0.23 -0.54 0.00 0.00 174.62 176.15 2iei n MET 692 N -1.89 2.59 -4.60 3.99 2.81 -1.26 -4.72 117.12 114.03 2iei n MET 692 Ca -0.04 -1.79 -0.28 0.00 -1.81 0.00 0.00 57.70 53.79 2iei n MET 692 Cb 0.56 -2.65 -0.14 0.00 -0.71 0.00 0.00 33.22 30.28 2iei n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2iei s ASP 693 N 3.15 2.94 1.29 7.83 2.15 -1.26 -4.69 116.67 128.08 2iei s ASP 693 Ca 0.51 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2iei s ASP 693 Cb 0.13 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 2iei s ASP 693 CO -0.03 0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 2iei n GLY 694 N 1.44 3.12 0.00 2.66 0.00 -1.16 -1.71 105.19 109.54 2iei n GLY 694 Ca -0.18 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 9.90 2.52 -0.36 4.61 0.00 0.48 -3.31 120.51 134.35 2iei n ALA 695 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 53.44 53.32 2iei n ALA 695 Cb 0.00 -1.50 0.19 0.00 0.00 0.00 0.00 19.45 18.15 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 1.01 -0.18 0.00 -0.26 -1.52 -0.52 115.58 114.12 2iei h ASN 696 Ca 0.00 0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.79 2iei h ASN 696 Cb 0.23 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.26 2iei h ASN 696 CO 0.00 0.64 -0.05 0.58 -1.06 0.00 0.00 177.43 177.53 2iei h VAL 697 N 1.14 0.80 -0.02 2.81 2.07 -1.67 -0.70 116.25 120.68 2iei h VAL 697 Ca 0.43 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.80 2iei h VAL 697 Cb 0.21 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2iei h VAL 697 CO -0.18 0.00 -0.70 -0.33 0.02 0.00 0.00 177.57 176.38 2iei h GLU 698 N -0.02 0.12 0.23 1.57 5.08 -1.69 -1.08 114.58 118.80 2iei h GLU 698 Ca 0.09 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2iei h GLU 698 Cb 0.15 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2iei h GLU 698 CO -0.19 0.78 -0.11 0.52 -1.00 0.00 0.00 179.01 179.00 2iei h MET 699 N 0.08 -0.30 -1.01 2.33 2.86 -0.92 -0.42 114.93 117.56 2iei h MET 699 Ca -0.02 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 2iei h MET 699 Cb 1.25 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.90 2iei h MET 699 CO 0.10 -0.13 0.65 0.00 1.06 0.00 0.00 176.91 178.59 2iei h ALA 700 N 0.36 1.43 -0.18 6.32 0.00 -1.07 -1.83 119.26 124.29 2iei h ALA 700 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2iei h ALA 700 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2iei h ALA 700 CO 0.05 0.39 0.07 1.49 0.00 0.00 0.00 179.25 181.26 2iei h GLU 701 N 1.14 0.27 -0.19 0.00 4.81 -0.98 0.46 114.58 120.08 2iei h GLU 701 Ca 0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2iei h GLU 701 Cb 0.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2iei h GLU 701 CO -0.20 0.33 0.12 0.93 -0.73 0.00 0.00 179.01 179.47 2iei h GLU 702 N 0.14 0.25 0.02 1.92 4.39 -0.84 -3.22 114.58 117.24 2iei h GLU 702 Ca 0.06 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.52 2iei h GLU 702 Cb 0.16 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2iei h GLU 702 CO -0.01 0.18 -1.06 0.00 -1.16 0.00 0.00 179.01 176.96 2iei h ALA 703 N 1.06 0.34 0.00 3.43 0.00 -1.31 -3.47 119.26 119.30 2iei h ALA 703 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2iei h ALA 703 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2iei h ALA 703 CO -0.01 1.23 0.00 0.41 0.00 0.00 0.00 179.25 180.88 2iei n GLY 704 N 1.38 2.19 0.31 0.00 0.00 0.16 -4.70 105.19 104.53 2iei n GLY 704 Ca -0.02 -1.42 0.21 0.00 0.00 0.00 0.00 46.02 44.79 2iei n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2iei h GLU 705 N 0.00 0.00 -0.31 1.61 5.08 -1.84 0.12 114.58 119.24 2iei h GLU 705 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2iei h GLU 705 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2iei h GLU 705 CO 0.00 0.00 0.04 0.93 -1.00 0.00 0.00 179.01 178.98 2iei h GLU 706 N 0.00 0.46 -0.68 2.33 3.07 -1.89 -3.05 114.58 114.81 2iei h GLU 706 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2iei h GLU 706 Cb 0.01 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2iei h GLU 706 CO 0.00 0.45 0.00 0.09 -1.40 0.00 0.00 179.01 178.15 2iei n ASN 707 N -4.34 3.33 -4.01 1.42 3.02 0.03 -4.89 115.26 109.82 2iei n ASN 707 Ca 0.01 -2.40 -0.14 0.00 -0.03 0.00 0.00 54.58 52.02 2iei n ASN 707 Cb 0.20 -0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.86 0.57 -1.18 3.10 0.40 -1.15 -4.78 117.98 113.08 2iei s PHE 708 Ca 0.30 -0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.26 2iei s PHE 708 Cb 0.21 -0.35 0.24 0.00 0.51 0.00 0.00 43.02 43.63 2iei s PHE 708 CO 0.11 -0.05 1.64 1.19 0.70 0.00 0.00 175.22 178.82 2iei n PHE 709 N 2.18 2.81 -2.62 0.36 3.72 -0.43 -4.99 117.46 118.50 2iei n PHE 709 Ca -0.18 -2.77 -0.41 0.00 -0.05 0.00 0.00 57.45 54.04 2iei n PHE 709 Cb 0.56 -1.62 -0.04 0.00 -0.94 0.00 0.00 39.48 37.44 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 -1.14 4.25 0.28 4.37 1.01 -1.26 -1.53 121.20 127.18 2iei s ILE 710 Ca 0.35 1.84 -0.02 0.00 0.00 0.00 0.00 60.65 62.82 2iei s ILE 710 Cb 0.06 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2iei s ILE 710 CO 0.05 0.27 0.33 0.72 0.00 0.00 0.00 174.94 176.31 2iei s PHE 711 N 0.10 1.09 0.13 3.97 -0.71 -0.73 -4.96 117.98 116.86 2iei s PHE 711 Ca 0.49 -1.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 2iei s PHE 711 Cb -0.26 -0.30 0.00 0.00 -1.21 0.00 0.00 43.02 41.25 2iei s PHE 711 CO 0.31 -0.90 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2iei n GLY 712 N -0.45 -2.08 3.73 1.99 0.00 -1.26 -4.27 105.19 102.85 2iei n GLY 712 Ca 0.02 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2iei n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2iei n MET 713 N -2.23 2.34 -2.53 1.61 2.81 -1.26 -4.86 117.12 113.00 2iei n MET 713 Ca 0.00 0.82 -0.24 0.00 -1.81 0.00 0.00 57.70 56.47 2iei n MET 713 Cb 0.25 -2.46 0.12 0.00 -0.71 0.00 0.00 33.22 30.42 2iei n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2iei s ARG 714 N -1.92 1.58 0.10 0.03 1.81 -1.26 -4.45 118.95 114.83 2iei s ARG 714 Ca 0.55 -1.06 -0.28 0.00 -1.72 0.00 0.00 55.73 53.21 2iei s ARG 714 Cb -0.53 -2.29 -0.13 0.00 -0.45 0.00 0.00 34.95 31.55 2iei s ARG 714 CO 0.62 -1.54 1.65 0.28 -0.68 0.00 0.00 175.30 175.63 2iei h VAL 715 N -0.63 0.48 -0.89 3.52 2.07 -1.86 -1.98 116.25 116.97 2iei h VAL 715 Ca -0.37 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.38 2iei h VAL 715 Cb 1.26 0.48 -0.16 0.00 -1.52 0.00 0.00 31.29 31.36 2iei h VAL 715 CO 0.40 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 177.71 2iei h GLU 716 N -0.54 0.08 -0.55 1.57 5.08 -1.97 0.07 114.58 118.32 2iei h GLU 716 Ca -0.01 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2iei h GLU 716 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2iei h GLU 716 CO -0.03 0.05 0.12 -0.44 -1.00 0.00 0.00 179.01 177.71 2iei h ASP 717 N 0.08 0.80 -0.51 1.42 3.32 -1.77 -2.86 116.42 116.90 2iei h ASP 717 Ca 0.52 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 2iei h ASP 717 Cb 1.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2iei h ASP 717 CO -0.78 0.80 -0.09 0.58 -1.72 0.00 0.00 179.24 178.03 2iei h VAL 718 N 0.82 1.27 0.00 -1.35 2.07 -0.30 -2.82 116.25 115.94 2iei h VAL 718 Ca 0.18 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2iei h VAL 718 Cb 0.32 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2iei h VAL 718 CO 0.00 0.43 0.00 0.47 0.02 0.00 0.00 177.57 178.49 2iei n ASP 719 N -4.15 0.13 -0.34 0.57 8.00 -0.82 -1.74 116.55 118.20 2iei n ASP 719 Ca 0.02 -0.77 0.08 0.00 0.71 0.00 0.00 54.79 54.83 2iei n ASP 719 Cb 0.39 -0.07 0.17 0.00 -0.02 0.00 0.00 41.12 41.59 2iei n ASP 719 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2iei n ARG 720 N -0.22 1.59 0.15 -1.24 3.00 -1.06 -4.83 116.66 114.04 2iei n ARG 720 Ca 0.00 -2.79 0.00 0.00 -0.01 0.00 0.00 57.85 55.05 2iei n ARG 720 Cb 0.03 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 30.91 2iei n ARG 720 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2iei n LEU 721 N -1.24 -1.95 0.13 0.55 -0.00 -0.71 -5.12 117.00 108.66 2iei n LEU 721 Ca 0.18 0.57 0.00 0.00 -0.00 0.00 0.00 56.01 56.76 2iei n LEU 721 Cb 0.70 1.96 0.00 0.00 -0.00 0.00 0.00 43.42 46.08 2iei n LEU 721 CO 0.03 -0.24 0.00 -0.90 -0.00 0.00 0.00 177.39 176.28 2iei n ASP 722 N -3.24 -2.36 -4.50 1.45 3.85 -1.04 -5.17 116.55 105.53 2iei n ASP 722 Ca 0.00 0.53 -0.43 0.00 -0.71 0.00 0.00 54.79 54.18 2iei n ASP 722 Cb 0.00 2.39 -0.07 0.00 -1.35 0.00 0.00 41.12 42.09 2iei n ASP 722 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 2iei s ASN 727 N -1.58 6.30 0.48 -1.12 2.47 -1.26 -4.53 114.94 115.70 2iei s ASN 727 Ca 0.00 -0.45 0.27 0.00 0.42 0.00 0.00 52.86 53.11 2iei s ASN 727 Cb 0.00 -2.32 1.10 0.00 -1.45 0.00 0.00 41.25 38.58 2iei s ASN 727 CO 0.00 -0.83 1.89 0.00 -3.72 0.00 0.00 177.10 174.45 2iei h ALA 728 N 8.92 1.03 -0.90 1.71 0.00 -1.88 -3.13 119.26 125.01 2iei h ALA 728 Ca -0.26 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.61 2iei h ALA 728 Cb 1.09 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2iei h ALA 728 CO 0.92 0.17 0.56 0.37 0.00 0.00 0.00 179.25 181.27 2iei h GLN 729 N 0.00 0.94 -0.94 0.00 5.75 -1.91 -2.37 115.11 116.58 2iei h GLN 729 Ca -0.00 -0.06 0.10 0.00 -0.15 0.00 0.00 58.65 58.54 2iei h GLN 729 Cb 0.64 -0.21 -0.08 0.00 1.07 0.00 0.00 27.48 28.90 2iei h GLN 729 CO 0.02 0.62 0.58 0.93 -2.65 0.00 0.00 178.83 178.33 2iei h GLU 730 N 0.97 0.92 -0.11 1.69 5.08 -1.95 -2.61 114.58 118.56 2iei h GLU 730 Ca 0.41 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2iei h GLU 730 Cb 0.27 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2iei h GLU 730 CO -0.21 0.61 -0.12 1.88 -1.00 0.00 0.00 179.01 180.17 2iei h TYR 731 N 0.95 0.33 -0.86 4.33 0.05 -1.62 -2.86 116.97 117.29 2iei h TYR 731 Ca 0.45 -0.10 0.17 0.00 0.05 0.00 0.00 58.73 59.30 2iei h TYR 731 Cb 0.40 -0.07 -0.10 0.00 1.01 0.00 0.00 36.73 37.96 2iei h TYR 731 CO -0.02 0.69 0.42 -0.92 -1.05 0.00 0.00 178.16 177.28 2iei h TYR 732 N -0.12 0.73 0.11 4.88 5.03 -1.20 -1.57 116.97 124.82 2iei h TYR 732 Ca 0.02 0.04 -0.27 0.00 2.58 0.00 0.00 58.73 61.09 2iei h TYR 732 Cb 0.64 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.73 2iei h TYR 732 CO 0.09 0.12 -1.23 -0.44 -1.32 0.00 0.00 178.16 175.38 2iei h ASP 733 N 0.56 0.38 1.62 -2.11 3.32 -1.52 -3.30 116.42 115.36 2iei h ASP 733 Ca 0.49 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2iei h ASP 733 Cb 0.76 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2iei h ASP 733 CO -0.41 1.32 0.00 0.03 -1.72 0.00 0.00 179.24 178.46 2iei h ARG 734 N 0.07 0.00 -4.29 3.56 -0.00 -1.23 -3.42 114.38 109.07 2iei h ARG 734 Ca -0.13 0.00 -0.65 0.00 -0.50 0.00 0.00 59.98 58.71 2iei h ARG 734 Cb 1.95 0.00 -0.40 0.00 0.00 0.00 0.00 29.97 31.52 2iei h ARG 734 CO 0.19 0.00 -0.71 0.42 0.00 0.00 0.00 179.97 179.88 2iei s ILE 735 N -3.23 2.16 0.47 2.04 1.01 -0.62 -5.00 121.20 118.03 2iei s ILE 735 Ca 0.08 -2.43 0.13 0.00 0.00 0.00 0.00 60.65 58.42 2iei s ILE 735 Cb 0.08 -2.58 0.28 0.00 0.01 0.00 0.00 42.46 40.25 2iei s ILE 735 CO 0.61 -0.65 2.10 -0.65 0.00 0.00 0.00 174.94 176.35 2iei h PRO 736 N 7.43 0.23 -0.14 2.79 0.11 -1.82 -1.67 132.00 138.92 2iei h PRO 736 Ca -0.06 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 2iei h PRO 736 Cb 0.99 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2iei h PRO 736 CO 0.54 0.15 -0.27 0.93 -0.21 0.00 0.00 178.00 179.14 2iei h GLU 737 N 0.23 0.43 -0.49 1.05 5.08 -1.94 -2.45 114.58 116.50 2iei h GLU 737 Ca 0.08 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2iei h GLU 737 Cb 0.04 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2iei h GLU 737 CO -0.02 0.88 0.27 1.25 -1.00 0.00 0.00 179.01 180.39 2iei h LEU 738 N 0.04 0.41 -0.36 1.33 5.85 -1.82 -2.74 115.31 118.01 2iei h LEU 738 Ca 0.01 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2iei h LEU 738 Cb 0.87 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 2iei h LEU 738 CO 0.06 0.29 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.13 2iei h ARG 739 N 0.53 -0.16 -1.00 1.25 2.43 -1.30 -2.48 114.38 113.65 2iei h ARG 739 Ca 0.21 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 2iei h ARG 739 Cb 0.08 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.59 2iei h ARG 739 CO -0.13 -0.11 0.64 0.37 -1.51 0.00 0.00 179.97 179.23 2iei h GLN 740 N -0.17 0.99 -0.22 0.20 4.15 -1.13 -1.27 115.11 117.65 2iei h GLN 740 Ca 0.18 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.39 2iei h GLN 740 Cb 0.45 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2iei h GLN 740 CO -0.47 0.65 -0.44 0.82 -1.93 0.00 0.00 178.83 177.46 2iei h ILE 741 N 1.02 1.31 0.00 2.39 2.04 -1.34 -2.04 117.51 120.89 2iei h ILE 741 Ca 0.49 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2iei h ILE 741 Cb 0.45 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2iei h ILE 741 CO -0.25 0.52 -0.22 0.40 0.00 0.00 0.00 178.15 178.59 2iei h ILE 742 N 0.40 0.67 -0.03 -0.67 2.04 -1.03 -1.02 117.51 117.87 2iei h ILE 742 Ca 0.01 -0.99 -0.15 0.00 1.00 0.00 0.00 64.86 64.73 2iei h ILE 742 Cb 1.05 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2iei h ILE 742 CO 0.10 0.22 -0.67 -0.33 0.00 0.00 0.00 178.15 177.47 2iei h GLU 743 N 0.00 0.14 -0.10 2.37 4.39 -1.05 -2.93 114.58 117.40 2iei h GLU 743 Ca -0.00 -0.11 -0.21 0.00 0.34 0.00 0.00 59.36 59.38 2iei h GLU 743 Cb 0.62 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2iei h GLU 743 CO 0.03 0.75 -0.77 1.96 -1.16 0.00 0.00 179.01 179.82 2iei h GLN 744 N 0.10 0.58 -0.18 2.33 4.20 -0.56 -2.38 115.11 119.20 2iei h GLN 744 Ca -0.01 -0.48 -0.07 0.00 0.06 0.00 0.00 58.65 58.14 2iei h GLN 744 Cb 1.19 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 2iei h GLN 744 CO 0.10 1.11 -0.18 -0.07 -0.67 0.00 0.00 178.83 179.12 2iei h LEU 745 N 0.39 0.46 -0.08 1.46 3.38 -1.28 -0.67 115.31 118.99 2iei h LEU 745 Ca -0.05 -0.48 -0.25 0.00 0.09 0.00 0.00 57.88 57.20 2iei h LEU 745 Cb 1.37 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.01 2iei h LEU 745 CO 0.14 0.85 -1.00 0.77 0.09 0.00 0.00 178.44 179.29 2iei h SER 746 N 0.09 0.76 0.87 -0.43 4.64 -1.61 -3.29 113.55 114.58 2iei h SER 746 Ca 0.03 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2iei h SER 746 Cb 0.72 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2iei h SER 746 CO 0.04 1.41 0.00 -1.54 -0.87 0.00 0.00 176.83 175.87 2iei n SER 747 N -3.81 0.00 -0.28 4.97 3.41 -0.89 -4.62 113.62 112.39 2iei n SER 747 Ca -0.09 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2iei n SER 747 Cb 0.86 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2iei n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iei n GLY 748 N 1.34 0.98 0.18 5.00 0.00 -1.16 -4.91 105.19 106.62 2iei n GLY 748 Ca 0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.64 -0.16 1.61 3.57 -1.39 -3.28 116.94 117.93 2iei h PHE 749 Ca 0.00 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2iei h PHE 749 Cb 0.60 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2iei h PHE 749 CO 0.00 1.08 0.00 1.19 -2.23 0.00 0.00 178.31 178.35 2iei n PHE 750 N -3.83 0.19 -3.23 0.41 3.72 -1.25 -4.61 117.46 108.86 2iei n PHE 750 Ca -0.05 -0.09 -0.14 0.00 -0.05 0.00 0.00 57.45 57.12 2iei n PHE 750 Cb 0.74 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.23 2iei n PHE 750 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2iei s SER 751 N -1.76 0.31 0.00 4.37 1.04 -1.24 -4.67 113.70 111.76 2iei s SER 751 Ca 0.34 -1.77 -0.25 0.00 0.48 0.00 0.00 55.95 54.74 2iei s SER 751 Cb 0.20 0.85 -0.19 0.00 0.10 0.00 0.00 66.02 66.98 2iei s SER 751 CO 0.30 -0.19 1.37 -0.65 0.98 0.00 0.00 173.24 175.05 2iei h PRO 752 N 6.38 0.00 0.00 4.02 0.11 -1.81 -2.95 132.00 137.75 2iei h PRO 752 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2iei h PRO 752 Cb 1.06 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2iei h PRO 752 CO 0.18 0.39 0.00 0.87 -0.21 0.00 0.00 178.00 179.22 2iei h LYS 753 N -0.38 0.00 -2.47 1.05 6.56 -1.97 -3.33 116.57 116.03 2iei h LYS 753 Ca 0.00 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.99 2iei h LYS 753 Cb 0.39 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 31.64 2iei h LYS 753 CO 0.00 0.00 -0.74 1.04 -2.06 0.00 0.00 179.45 177.69 2iei n GLN 754 N -3.05 1.58 -0.20 3.15 6.02 -1.15 -5.00 117.38 118.74 2iei n GLN 754 Ca 0.01 -4.10 0.11 0.00 -0.01 0.00 0.00 57.00 53.01 2iei n GLN 754 Cb 0.32 -1.98 0.42 0.00 1.02 0.00 0.00 30.24 30.02 2iei n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2iei h PRO 755 N 4.78 0.58 -0.39 -1.09 0.11 -1.64 -2.25 132.00 132.10 2iei h PRO 755 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2iei h PRO 755 Cb 0.77 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2iei h PRO 755 CO 0.65 0.38 0.00 -0.25 -0.21 0.00 0.00 178.00 178.58 2iei n ASP 756 N -4.51 3.27 -0.32 -2.05 8.00 -1.26 -3.04 116.55 116.64 2iei n ASP 756 Ca 0.14 -1.93 0.21 0.00 0.71 0.00 0.00 54.79 53.92 2iei n ASP 756 Cb 0.41 -0.25 0.43 0.00 -0.02 0.00 0.00 41.12 41.69 2iei n ASP 756 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2iei h LEU 757 N 3.76 0.33 -3.85 0.64 5.85 -1.74 -0.13 115.31 120.17 2iei h LEU 757 Ca 0.00 0.20 -0.41 0.00 0.84 0.00 0.00 57.88 58.51 2iei h LEU 757 Cb 0.88 0.20 -0.24 0.00 0.37 0.00 0.00 40.66 41.87 2iei h LEU 757 CO 0.00 -0.17 0.47 0.49 -0.34 0.00 0.00 178.44 178.89 2iei n PHE 758 N -5.13 2.65 0.01 1.25 3.72 -1.26 -4.50 117.46 114.19 2iei n PHE 758 Ca 0.29 -1.68 0.01 0.00 -0.05 0.00 0.00 57.45 56.03 2iei n PHE 758 Cb 0.92 -0.83 0.34 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.34 0.51 -0.13 -1.08 2.10 -1.29 -2.54 116.57 115.48 2iei h LYS 759 Ca 0.50 -0.08 -0.12 0.00 -2.00 0.00 0.00 60.65 58.94 2iei h LYS 759 Cb 2.59 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 33.82 2iei h LYS 759 CO 0.93 0.48 -0.47 -0.44 -2.00 0.00 0.00 179.45 177.95 2iei h ASP 760 N 0.50 0.33 -0.08 7.07 3.32 -1.82 -1.39 116.42 124.36 2iei h ASP 760 Ca 0.12 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2iei h ASP 760 Cb 0.21 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2iei h ASP 760 CO -0.00 0.75 -0.12 0.40 -1.72 0.00 0.00 179.24 178.56 2iei h ILE 761 N 0.25 1.39 0.10 0.35 2.04 -1.84 -2.42 117.51 117.38 2iei h ILE 761 Ca 0.02 -1.35 0.02 0.00 1.00 0.00 0.00 64.86 64.54 2iei h ILE 761 Cb 0.92 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2iei h ILE 761 CO 0.08 0.38 -0.23 0.58 0.00 0.00 0.00 178.15 178.95 2iei h VAL 762 N -0.23 0.48 -0.95 1.67 2.07 -1.41 -0.51 116.25 117.35 2iei h VAL 762 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2iei h VAL 762 Cb 0.67 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2iei h VAL 762 CO 0.03 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.10 2iei h ASN 763 N -0.42 0.99 -0.20 0.57 -1.24 -1.32 -1.02 115.58 112.95 2iei h ASN 763 Ca 0.03 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.96 2iei h ASN 763 Cb 0.45 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 2iei h ASN 763 CO -0.14 0.65 -0.21 -0.03 -1.29 0.00 0.00 177.43 176.41 2iei h MET 764 N 1.14 0.49 -0.92 6.67 4.05 -1.16 -1.16 114.93 124.04 2iei h MET 764 Ca 0.40 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2iei h MET 764 Cb 0.11 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 2iei h MET 764 CO -0.15 0.84 0.54 -0.07 0.23 0.00 0.00 176.91 178.30 2iei h LEU 765 N 0.15 1.12 -0.28 3.39 3.38 -0.80 0.14 115.31 122.42 2iei h LEU 765 Ca 0.03 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 2iei h LEU 765 Cb 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2iei h LEU 765 CO 0.05 0.87 -0.86 0.24 0.09 0.00 0.00 178.44 178.83 2iei h MET 766 N 1.27 0.33 0.00 1.13 2.86 -1.16 -3.42 114.93 115.95 2iei h MET 766 Ca 0.33 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2iei h MET 766 Cb -0.03 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2iei h MET 766 CO -0.06 1.01 -0.65 0.72 1.06 0.00 0.00 176.91 178.99 2iei n HIS 767 N -3.74 0.00 -1.84 -0.22 8.25 -0.44 -4.18 115.22 113.05 2iei n HIS 767 Ca -0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.35 2iei n HIS 767 Cb 0.79 0.00 0.12 0.00 1.12 0.00 0.00 29.99 32.02 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 -1.99 1.12 -2.85 4.41 8.25 0.29 -5.00 115.22 119.46 2iei n HIS 768 Ca 0.00 -1.76 -0.43 0.00 -0.26 0.00 0.00 57.72 55.27 2iei n HIS 768 Cb 0.33 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 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 -3.35 6.42 0.16 0.41 2.15 -0.13 -4.86 116.67 117.46 2iei s ASP 769 Ca 0.43 -0.12 0.25 0.00 0.43 0.00 0.00 52.55 53.54 2iei s ASP 769 Cb 0.39 -2.43 0.92 0.00 -0.30 0.00 0.00 42.92 41.49 2iei s ASP 769 CO -0.03 -1.10 1.76 0.54 -0.17 0.00 0.00 175.17 176.17 2iei n ARG 770 N 7.21 0.17 -0.78 4.34 1.74 -1.26 -3.80 116.66 124.27 2iei n ARG 770 Ca 0.04 0.24 0.03 0.00 -0.77 0.00 0.00 57.85 57.38 2iei n ARG 770 Cb 0.48 -1.74 0.18 0.00 -1.02 0.00 0.00 32.46 30.37 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 -2.04 0.29 -3.46 -1.55 3.72 -1.26 -5.03 117.46 108.13 2iei n PHE 771 Ca 0.05 -1.54 -0.04 0.00 -0.05 0.00 0.00 57.45 55.87 2iei n PHE 771 Cb 0.33 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 2iei n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2iei n LYS 772 N -1.02 -0.77 -0.10 -1.08 2.85 -1.25 -4.80 118.16 111.99 2iei n LYS 772 Ca 0.21 -0.33 -0.11 0.00 -1.05 0.00 0.00 58.31 57.03 2iei n LYS 772 Cb 0.73 0.43 -0.03 0.00 -0.65 0.00 0.00 35.03 35.51 2iei n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2iei h VAL 773 N 2.16 1.24 -0.09 0.58 2.07 -1.92 -2.93 116.25 117.36 2iei h VAL 773 Ca -0.06 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.62 2iei h VAL 773 Cb 0.13 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2iei h VAL 773 CO 0.04 0.28 0.08 -0.26 0.02 0.00 0.00 177.57 177.74 2iei h PHE 774 N 0.32 0.00 0.00 1.57 -1.00 -1.89 -2.57 116.94 113.36 2iei h PHE 774 Ca 0.09 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.72 2iei h PHE 774 Cb 0.38 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 2iei h PHE 774 CO 0.03 0.00 -0.69 0.00 -1.61 0.00 0.00 178.31 176.03 2iei h ALA 775 N 1.92 0.85 -0.01 2.45 0.00 -1.88 -3.24 119.26 119.35 2iei h ALA 775 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2iei h ALA 775 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2iei h ALA 775 CO -0.00 0.87 -0.49 -0.25 0.00 0.00 0.00 179.25 179.38 2iei n ASP 776 N -3.71 1.53 -0.21 0.00 8.00 -1.05 -4.65 116.55 116.46 2iei n ASP 776 Ca -0.01 -1.26 0.02 0.00 0.71 0.00 0.00 54.79 54.24 2iei n ASP 776 Cb 0.68 0.60 0.13 0.00 -0.02 0.00 0.00 41.12 42.51 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 0.32 -0.10 1.24 3.20 -1.49 -0.49 116.97 121.16 2iei h TYR 777 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2iei h TYR 777 Cb 0.57 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 2iei h TYR 777 CO 0.00 0.02 -0.02 0.93 -1.64 0.00 0.00 178.16 177.45 2iei h GLU 778 N 0.34 0.19 -0.31 1.82 3.07 -1.82 -1.92 114.58 115.94 2iei h GLU 778 Ca 0.34 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 2iei h GLU 778 Cb 0.48 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 2iei h GLU 778 CO -0.38 0.49 -0.02 0.93 -1.40 0.00 0.00 179.01 178.63 2iei h GLU 779 N -0.13 0.48 -0.13 2.33 4.39 -1.83 -2.80 114.58 116.89 2iei h GLU 779 Ca 0.03 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2iei h GLU 779 Cb 0.42 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2iei h GLU 779 CO 0.01 0.52 0.05 -0.92 -1.16 0.00 0.00 179.01 177.51 2iei h TYR 780 N 0.46 0.19 -0.28 4.33 3.20 -0.85 -0.28 116.97 123.75 2iei h TYR 780 Ca 0.10 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 2iei h TYR 780 Cb 0.33 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2iei h TYR 780 CO 0.01 0.28 -0.06 0.28 -1.64 0.00 0.00 178.16 177.03 2iei h VAL 781 N 0.06 1.28 -0.73 1.81 2.07 -1.30 0.37 116.25 119.80 2iei h VAL 781 Ca 0.04 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2iei h VAL 781 Cb 0.16 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2iei h VAL 781 CO -0.00 0.34 0.35 0.11 0.02 0.00 0.00 177.57 178.39 2iei h LYS 782 N 0.29 1.05 -0.13 1.57 6.56 -1.53 -0.11 116.57 124.27 2iei h LYS 782 Ca 0.07 -0.15 -0.08 0.00 -1.06 0.00 0.00 60.65 59.42 2iei h LYS 782 Cb 0.53 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2iei h LYS 782 CO 0.03 0.82 -0.29 0.00 -2.06 0.00 0.00 179.45 177.95 2iei h GLN 784 N 0.22 0.00 -0.34 0.00 1.08 -0.40 -2.33 115.11 113.34 2iei h GLN 784 Ca 0.03 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 2iei h GLN 784 Cb 0.63 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2iei h GLN 784 CO 0.05 0.37 -0.35 0.93 -0.95 0.00 0.00 178.83 178.88 2iei h GLU 785 N 0.00 0.76 0.00 1.46 5.08 -0.45 -2.84 114.58 118.59 2iei h GLU 785 Ca -0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2iei h GLU 785 Cb 0.89 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2iei h GLU 785 CO 0.05 0.99 0.00 0.00 -1.00 0.00 0.00 179.01 179.05 2iei h ARG 786 N 0.64 0.00 0.03 2.33 3.08 -1.21 -1.53 114.38 117.73 2iei h ARG 786 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2iei h ARG 786 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2iei h ARG 786 CO 0.08 0.00 -0.01 0.28 -1.07 0.00 0.00 179.97 179.24 2iei h VAL 787 N 0.00 1.28 -0.60 2.04 2.07 -1.35 -2.83 116.25 116.86 2iei h VAL 787 Ca 0.00 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2iei h VAL 787 Cb 0.73 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2iei h VAL 787 CO 0.00 0.25 0.17 0.28 0.02 0.00 0.00 177.57 178.29 2iei h SER 788 N -0.48 0.90 -0.71 0.57 0.02 -1.36 -1.18 113.55 111.31 2iei h SER 788 Ca -0.00 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2iei h SER 788 Cb 0.45 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2iei h SER 788 CO 0.01 0.89 0.45 0.00 -1.14 0.00 0.00 176.83 177.03 2iei h ALA 789 N 1.05 0.92 -0.54 3.77 0.00 -1.36 -1.83 119.26 121.27 2iei h ALA 789 Ca 0.19 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2iei h ALA 789 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2iei h ALA 789 CO -0.00 0.25 -0.12 1.25 0.00 0.00 0.00 179.25 180.63 2iei h LEU 790 N 0.89 1.02 -1.07 0.00 5.85 -1.27 -3.19 115.31 117.53 2iei h LEU 790 Ca 0.28 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2iei h LEU 790 Cb -0.01 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 2iei h LEU 790 CO -0.10 1.13 0.63 0.22 -0.34 0.00 0.00 178.44 179.98 2iei h TYR 791 N 0.90 1.18 0.00 1.25 3.20 -0.56 0.10 116.97 123.04 2iei h TYR 791 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2iei h TYR 791 Cb 0.68 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2iei h TYR 791 CO 0.05 0.72 0.00 0.36 -1.64 0.00 0.00 178.16 177.64 2iei n LYS 792 N -4.41 0.50 -3.82 1.82 2.85 -0.75 -3.53 118.16 110.81 2iei n LYS 792 Ca 0.12 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.10 2iei n LYS 792 Cb 0.05 -1.29 -0.11 0.00 -0.65 0.00 0.00 35.03 33.03 2iei n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2iei n ASN 793 N -0.79 3.11 -0.31 -5.58 2.85 0.35 -5.01 115.26 109.89 2iei n ASN 793 Ca 0.07 -3.24 0.07 0.00 -0.11 0.00 0.00 54.58 51.36 2iei n ASN 793 Cb 0.03 -0.74 0.22 0.00 1.24 0.00 0.00 39.78 40.53 2iei n ASN 793 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2iei h PRO 794 N 5.20 0.70 -0.33 1.20 0.11 -1.74 0.59 132.00 137.73 2iei h PRO 794 Ca 0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2iei h PRO 794 Cb 0.74 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2iei h PRO 794 CO 0.73 0.46 0.14 -0.09 -0.21 0.00 0.00 178.00 179.03 2iei h ARG 795 N 0.72 0.49 0.00 1.05 2.43 -1.92 -2.03 114.38 115.11 2iei h ARG 795 Ca 0.46 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.41 2iei h ARG 795 Cb 0.59 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2iei h ARG 795 CO -0.33 0.48 -0.66 0.93 -1.51 0.00 0.00 179.97 178.88 2iei h GLU 796 N 0.38 0.00 0.40 0.20 4.39 -1.61 -0.16 114.58 118.18 2iei h GLU 796 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2iei h GLU 796 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2iei h GLU 796 CO -0.01 0.66 -0.28 2.35 -1.16 0.00 0.00 179.01 180.57 2iei h TRP 797 N 0.00 -0.74 -0.66 4.33 2.91 -0.92 -2.70 115.95 118.18 2iei h TRP 797 Ca -0.01 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 2iei h TRP 797 Cb 1.34 0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 30.23 2iei h TRP 797 CO 0.00 -0.42 0.29 1.15 -1.03 0.00 0.00 178.44 178.43 2iei h THR 798 N -0.67 1.22 -0.59 2.65 2.02 -1.16 -1.84 112.91 114.55 2iei h THR 798 Ca -0.04 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 2iei h THR 798 Cb 0.56 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 2iei h THR 798 CO 0.02 0.27 0.28 0.03 0.37 0.00 0.00 175.52 176.48 2iei h ARG 799 N 0.94 0.85 -0.46 6.66 3.08 -1.02 -0.21 114.38 124.21 2iei h ARG 799 Ca 0.23 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2iei h ARG 799 Cb 0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2iei h ARG 799 CO -0.03 0.69 0.11 1.98 -1.07 0.00 0.00 179.97 181.66 2iei h MET 800 N 0.80 0.73 -0.31 0.04 4.05 -1.25 -2.01 114.93 116.98 2iei h MET 800 Ca 0.20 -0.18 0.07 0.00 -0.28 0.00 0.00 59.70 59.51 2iei h MET 800 Cb 0.13 -0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 2iei h MET 800 CO -0.02 0.73 -0.19 0.28 0.23 0.00 0.00 176.91 177.93 2iei h VAL 801 N 0.61 0.46 -0.56 -5.77 2.07 -1.07 -0.10 116.25 111.88 2iei h VAL 801 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 2iei h VAL 801 Cb 0.32 0.46 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 2iei h VAL 801 CO 0.00 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 177.84 2iei h ILE 802 N -0.16 0.43 -0.21 4.57 2.04 -0.76 0.22 117.51 123.64 2iei h ILE 802 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 2iei h ILE 802 Cb 0.40 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2iei h ILE 802 CO -0.40 0.00 0.06 0.03 0.00 0.00 0.00 178.15 177.84 2iei h ARG 803 N -0.01 0.29 0.21 2.37 3.08 -0.63 -0.88 114.38 118.82 2iei h ARG 803 Ca 0.27 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2iei h ARG 803 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2iei h ARG 803 CO -0.58 0.27 -0.10 -0.91 -1.07 0.00 0.00 179.97 177.58 2iei h ASN 804 N 0.30 -0.24 -0.85 7.04 2.35 0.80 -3.23 115.58 121.74 2iei h ASN 804 Ca 0.07 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2iei h ASN 804 Cb 0.10 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 2iei h ASN 804 CO -0.00 0.18 0.56 0.40 -1.65 0.00 0.00 177.43 176.92 2iei h ILE 805 N -0.71 1.19 0.00 2.81 2.04 -0.41 -2.85 117.51 119.57 2iei h ILE 805 Ca -0.03 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2iei h ILE 805 Cb 0.49 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2iei h ILE 805 CO 0.05 0.20 -0.08 0.00 0.00 0.00 0.00 178.15 178.32 2iei h ALA 806 N 1.33 1.09 -0.27 1.87 0.00 -1.28 -2.75 119.26 119.26 2iei h ALA 806 Ca 0.32 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2iei h ALA 806 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2iei h ALA 806 CO -0.08 0.10 -0.00 0.25 0.00 0.00 0.00 179.25 179.51 2iei n THR 807 N -3.31 2.32 1.36 0.00 -2.24 -1.09 -1.94 114.28 109.38 2iei n THR 807 Ca -0.01 -2.04 0.14 0.00 -2.27 0.00 0.00 64.05 59.88 2iei n THR 807 Cb 0.27 -0.27 0.56 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.67 0.57 -0.31 3.42 3.41 -1.04 -4.42 113.62 114.59 2iei n SER 808 Ca 0.23 -0.61 0.13 0.00 -0.26 0.00 0.00 58.87 58.36 2iei n SER 808 Cb 0.91 -0.03 0.31 0.00 -0.26 0.00 0.00 64.21 65.13 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 4.96 1.53 1.85 5.00 0.00 -1.80 -1.42 103.07 113.20 2iei h GLY 809 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2iei h GLY 809 CO 0.00 -0.26 0.08 1.70 0.00 0.00 0.00 176.54 178.06 2iei h LYS 810 N 0.41 0.19 -0.86 4.80 3.64 -1.87 -2.79 116.57 120.09 2iei h LYS 810 Ca 0.56 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.89 2iei h LYS 810 Cb 1.05 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2iei h LYS 810 CO -0.52 0.15 0.04 1.19 -2.27 0.00 0.00 179.45 178.04 2iei n PHE 811 N -4.49 0.89 -2.62 1.91 3.72 -0.53 -4.71 117.46 111.63 2iei n PHE 811 Ca -0.01 -0.40 -0.40 0.00 -0.05 0.00 0.00 57.45 56.59 2iei n PHE 811 Cb 0.10 -0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 38.28 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 -0.25 7.47 0.09 4.37 0.15 -1.05 -1.80 113.70 122.68 2iei s SER 812 Ca 0.22 2.10 0.20 0.00 0.70 0.00 0.00 55.95 59.17 2iei s SER 812 Cb 0.17 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.68 2iei s SER 812 CO 0.06 0.02 1.62 -1.54 1.20 0.00 0.00 173.24 174.60 2iei n SER 813 N 1.35 0.25 -0.21 5.45 3.41 -0.24 -2.35 113.62 121.28 2iei n SER 813 Ca -0.02 0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 59.05 2iei n SER 813 Cb 0.46 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.82 2iei n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2iei h ASP 814 N 0.00 1.06 -0.44 4.04 3.32 -1.91 -0.63 116.42 121.85 2iei h ASP 814 Ca 0.00 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 2iei h ASP 814 Cb 0.35 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2iei h ASP 814 CO 0.00 1.12 0.02 -0.09 -1.72 0.00 0.00 179.24 178.57 2iei h ARG 815 N 0.97 0.77 -0.38 3.56 1.12 -1.76 -1.57 114.38 117.09 2iei h ARG 815 Ca 0.17 -0.23 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2iei h ARG 815 Cb 0.59 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.46 2iei h ARG 815 CO 0.04 0.82 0.25 1.15 -3.11 0.00 0.00 179.97 179.12 2iei h THR 816 N 0.62 1.10 -0.23 0.20 2.02 -1.44 -2.83 112.91 112.34 2iei h THR 816 Ca 0.13 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 2iei h THR 816 Cb 0.46 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2iei h THR 816 CO 0.02 0.09 -0.30 0.40 0.37 0.00 0.00 175.52 176.10 2iei h ILE 817 N 0.51 1.32 -0.82 3.11 1.08 -1.08 -1.95 117.51 119.69 2iei h ILE 817 Ca 0.14 -1.50 0.18 0.00 -0.39 0.00 0.00 64.86 63.29 2iei h ILE 817 Cb -0.06 1.75 -0.11 0.00 -3.07 0.00 0.00 36.82 35.33 2iei h ILE 817 CO -0.03 0.47 0.30 0.00 -0.69 0.00 0.00 178.15 178.20 2iei h ALA 818 N 0.64 1.19 0.13 1.87 0.00 -1.30 0.71 119.26 122.51 2iei h ALA 818 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2iei h ALA 818 Cb 0.88 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2iei h ALA 818 CO 0.07 -0.30 -0.06 1.96 0.00 0.00 0.00 179.25 180.91 2iei h GLN 819 N 0.37 -0.17 -0.52 0.00 4.20 -1.24 -0.21 115.11 117.54 2iei h GLN 819 Ca 0.48 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.31 2iei h GLN 819 Cb 0.84 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.56 2iei h GLN 819 CO -0.50 0.08 -0.11 1.88 -0.67 0.00 0.00 178.83 179.51 2iei h TYR 820 N -0.42 -0.24 0.05 2.96 -1.99 -0.89 0.47 116.97 116.92 2iei h TYR 820 Ca -0.02 0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.77 2iei h TYR 820 Cb 0.33 0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 2iei h TYR 820 CO 0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 178.16 177.87 2iei h ALA 821 N 1.51 -0.14 -0.06 3.88 0.00 -0.70 0.90 119.26 124.66 2iei h ALA 821 Ca 0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2iei h ALA 821 Cb 0.39 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2iei h ALA 821 CO -0.52 -0.60 -0.23 0.00 0.00 0.00 0.00 179.25 177.90 2iei h ARG 822 N -0.18 0.26 0.00 0.00 3.08 -0.64 0.70 114.38 117.61 2iei h ARG 822 Ca 0.02 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2iei h ARG 822 Cb 0.19 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2iei h ARG 822 CO -0.05 0.84 -1.08 0.39 -1.07 0.00 0.00 179.97 179.00 2iei n GLU 823 N -4.52 0.53 0.04 0.04 1.02 0.16 -4.28 120.64 113.63 2iei n GLU 823 Ca -0.08 0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2iei n GLU 823 Cb 0.45 -1.74 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.45 1.20 0.09 -3.67 5.41 0.00 -4.90 119.36 115.04 2iei n ILE 824 Ca 0.00 0.38 -0.05 0.00 1.00 0.00 0.00 62.75 64.08 2iei n ILE 824 Cb 0.52 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.04 0.04 -1.73 1.39 6.55 -0.88 -3.48 115.95 117.80 2iei h TRP 825 Ca -0.00 -0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 2iei h TRP 825 Cb 0.09 -0.00 0.01 0.00 -0.86 0.00 0.00 29.16 28.39 2iei h TRP 825 CO -0.02 0.86 -0.05 0.41 -1.05 0.00 0.00 178.44 178.59 2iei n GLY 826 N 0.89 0.65 3.13 1.49 0.00 0.23 -4.94 105.19 106.64 2iei n GLY 826 Ca -0.01 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.02 0.76 -0.31 1.61 -7.23 -0.31 -5.01 120.40 106.89 2iei s VAL 827 Ca 0.02 -1.47 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 2iei s VAL 827 Cb -0.01 -1.13 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 2iei s VAL 827 CO 0.05 -0.53 0.16 -0.70 -0.31 0.00 0.00 175.10 173.76 2iei s GLU 828 N -2.48 3.37 0.50 4.82 -6.30 -1.26 -3.55 118.70 113.81 2iei s GLU 828 Ca 0.01 -0.70 -0.23 0.00 -2.50 0.00 0.00 54.97 51.55 2iei s GLU 828 Cb -0.04 -3.58 -0.06 0.00 0.00 0.00 0.00 34.13 30.44 2iei s GLU 828 CO -0.01 -0.41 1.30 -1.25 0.02 0.00 0.00 175.26 174.91 2iei s PRO 829 N 1.63 3.43 -0.04 4.30 0.04 -1.26 -4.92 135.00 138.17 2iei s PRO 829 Ca 0.05 2.09 -0.03 0.00 0.04 0.00 0.00 61.00 63.15 2iei s PRO 829 Cb -0.17 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.02 2iei s PRO 829 CO 0.07 -0.92 0.10 -1.12 0.04 0.00 0.00 177.00 175.17 2iei s SER 830 N -1.04 -0.08 -0.03 6.66 0.01 -0.31 -5.02 113.70 113.88 2iei s SER 830 Ca 0.67 0.20 0.13 0.00 1.31 0.00 0.00 55.95 58.27 2iei s SER 830 Cb -0.37 0.16 0.44 0.00 0.21 0.00 0.00 66.02 66.47 2iei s SER 830 CO 0.44 -0.07 1.34 0.54 0.41 0.00 0.00 173.24 175.90 2iei n ARG 831 N 3.44 2.38 -1.65 12.44 1.74 -1.26 -2.87 116.66 130.87 2iei n ARG 831 Ca -0.17 -1.77 -0.45 0.00 -0.77 0.00 0.00 57.85 54.69 2iei n ARG 831 Cb 0.57 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 2iei n ARG 831 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2iei n GLN 832 N 0.79 1.87 -2.35 5.56 6.02 -1.26 -4.94 117.38 123.06 2iei n GLN 832 Ca 0.16 0.66 -0.33 0.00 -0.01 0.00 0.00 57.00 57.49 2iei n GLN 832 Cb 0.49 -2.26 -0.02 0.00 1.02 0.00 0.00 30.24 29.46 2iei n GLN 832 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2iei s ARG 833 N -0.69 3.76 0.18 -1.09 0.52 -1.26 -4.91 118.95 115.45 2iei s ARG 833 Ca 0.66 1.10 0.04 0.00 -0.52 0.00 0.00 55.73 57.02 2iei s ARG 833 Cb -0.67 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2iei s ARG 833 CO 0.53 -0.43 0.25 -1.17 0.02 0.00 0.00 175.30 174.50 2iei s LEU 834 N -4.03 4.17 0.50 2.53 2.96 -0.05 -5.01 118.68 119.75 2iei s LEU 834 Ca 0.62 0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 54.35 2iei s LEU 834 Cb -0.13 -2.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.76 2iei s LEU 834 CO 0.30 0.03 1.24 -2.84 -1.32 0.00 0.00 176.35 173.76 2iei s PRO 835 N -3.38 3.49 0.00 0.98 0.02 -1.26 -4.65 135.00 130.19 2iei s PRO 835 Ca 0.33 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.32 2iei s PRO 835 Cb -0.10 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.09 2iei s PRO 835 CO 0.27 -0.83 0.00 0.00 -0.33 0.00 0.00 177.00 176.11