#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kea n ASP 2 N 0.00 0.00 -0.72 1.61 4.64 -1.26 -4.99 116.55 115.83 3kea n ASP 2 Ca 0.00 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.53 3kea n ASP 2 Cb 0.00 0.00 0.17 0.00 -1.04 0.00 0.00 41.12 40.25 3kea n ASP 2 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3kea n LEU 3 N 0.00 2.39 0.17 -2.67 4.77 -1.26 -4.59 117.00 115.80 3kea n LEU 3 Ca 0.00 -0.81 0.11 0.00 -0.03 0.00 0.00 56.01 55.28 3kea n LEU 3 Cb 0.00 -0.01 0.60 0.00 -2.33 0.00 0.00 43.42 41.68 3kea n LEU 3 CO 0.00 0.41 0.84 -1.54 -1.33 0.00 0.00 177.39 175.76 3kea n SER 4 N 0.70 0.57 -0.95 -1.43 3.41 -1.26 -0.89 113.62 113.77 3kea n SER 4 Ca 0.14 0.77 0.08 0.00 -0.26 0.00 0.00 58.87 59.60 3kea n SER 4 Cb 0.51 -0.84 0.22 0.00 -0.26 0.00 0.00 64.21 63.84 3kea n SER 4 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kea n ARG 5 N -2.27 2.73 -0.18 4.33 1.74 -1.26 -4.64 116.66 117.11 3kea n ARG 5 Ca -0.01 -2.28 0.24 0.00 -0.77 0.00 0.00 57.85 55.02 3kea n ARG 5 Cb 0.03 -1.40 0.63 0.00 -1.02 0.00 0.00 32.46 30.71 3kea n ARG 5 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3kea h ILE 6 N 3.07 0.63 0.00 0.55 2.10 -1.36 0.13 117.51 122.62 3kea h ILE 6 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 3kea h ILE 6 Cb 0.84 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3kea h ILE 6 CO 0.00 0.03 0.00 0.59 -1.08 0.00 0.00 178.15 177.69 3kea n ASN 7 N -4.38 0.06 -0.28 2.19 3.02 -1.26 -2.24 115.26 112.37 3kea n ASN 7 Ca 0.17 0.52 0.08 0.00 -0.03 0.00 0.00 54.58 55.32 3kea n ASN 7 Cb 0.80 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3kea n ASN 7 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kea n THR 8 N -1.57 0.00 -1.91 3.41 -2.24 0.44 -4.99 114.28 107.41 3kea n THR 8 Ca 0.03 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 3kea n THR 8 Cb 0.17 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 3kea n THR 8 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3kea s TRP 9 N -1.97 2.60 0.55 4.78 0.52 -0.95 -5.04 118.94 119.43 3kea s TRP 9 Ca 0.11 1.34 -0.02 0.00 0.02 0.00 0.00 56.10 57.55 3kea s TRP 9 Cb 0.12 -3.79 0.02 0.00 -1.15 0.00 0.00 33.47 28.67 3kea s TRP 9 CO 0.44 -2.55 0.81 -1.59 0.02 0.00 0.00 176.95 174.08 3kea s LYS 10 N -2.41 2.73 0.20 4.98 -2.85 -1.26 -4.92 119.74 116.20 3kea s LYS 10 Ca 0.60 -0.44 -0.19 0.00 -1.00 0.00 0.00 55.97 54.95 3kea s LYS 10 Cb -0.41 -2.41 0.17 0.00 -2.06 0.00 0.00 37.83 33.12 3kea s LYS 10 CO 0.52 -0.66 1.59 0.77 0.10 0.00 0.00 175.35 177.66 3kea h SER 11 N 0.01 -1.11 -0.42 0.03 0.02 -1.99 -2.64 113.55 107.44 3kea h SER 11 Ca -0.44 0.24 0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3kea h SER 11 Cb 1.28 0.58 -0.09 0.00 0.14 0.00 0.00 62.40 64.31 3kea h SER 11 CO 0.57 -0.29 -0.19 0.50 -1.14 0.00 0.00 176.83 176.28 3kea h LYS 12 N -0.12 -0.10 -0.41 3.45 3.64 -1.98 0.23 116.57 121.28 3kea h LYS 12 Ca 0.26 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 3kea h LYS 12 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3kea h LYS 12 CO -0.73 -0.07 -0.25 0.37 -2.27 0.00 0.00 179.45 176.51 3kea h GLN 13 N -0.10 0.85 -0.19 1.90 4.15 -1.88 -2.01 115.11 117.83 3kea h GLN 13 Ca 0.20 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 3kea h GLN 13 Cb 0.42 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3kea h GLN 13 CO -0.49 1.01 -0.07 1.25 -1.93 0.00 0.00 178.83 178.60 3kea h LEU 14 N 0.74 0.39 -0.91 -2.39 5.85 -1.18 -1.60 115.31 116.20 3kea h LEU 14 Ca 0.09 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.44 3kea h LEU 14 Cb 0.79 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3kea h LEU 14 CO 0.07 0.69 0.60 0.50 -0.34 0.00 0.00 178.44 179.96 3kea h LYS 15 N 0.08 1.17 -0.27 1.25 3.64 -0.50 0.93 116.57 122.88 3kea h LYS 15 Ca 0.05 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3kea h LYS 15 Cb 0.53 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3kea h LYS 15 CO 0.02 0.77 0.01 1.03 -2.27 0.00 0.00 179.45 179.01 3kea h SER 16 N 1.20 0.45 -0.81 4.20 0.87 -1.39 -2.87 113.55 115.20 3kea h SER 16 Ca 0.34 -0.30 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3kea h SER 16 Cb -0.09 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.69 3kea h SER 16 CO -0.09 0.64 0.49 0.15 -0.53 0.00 0.00 176.83 177.49 3kea h PHE 17 N 0.25 0.90 0.00 2.24 3.57 -0.21 -1.58 116.94 122.11 3kea h PHE 17 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3kea h PHE 17 Cb 0.40 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3kea h PHE 17 CO 0.03 0.44 0.00 -0.07 -2.23 0.00 0.00 178.31 176.49 3kea h LEU 18 N 0.89 0.00 -0.23 0.59 3.38 -0.79 -1.91 115.31 117.24 3kea h LEU 18 Ca 0.36 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.16 3kea h LEU 18 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3kea h LEU 18 CO -0.18 0.00 -0.79 0.28 0.09 0.00 0.00 178.44 177.84 3kea h SER 19 N 0.00 0.00 -3.88 -0.43 0.02 -1.08 -3.46 113.55 104.71 3kea h SER 19 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3kea h SER 19 Cb 0.62 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.33 3kea h SER 19 CO 0.00 0.79 0.19 -0.94 -1.14 0.00 0.00 176.83 175.73 3kea s SER 20 N -6.68 2.73 0.00 3.07 1.04 -0.72 -4.92 113.70 108.22 3kea s SER 20 Ca 0.01 1.42 0.23 0.00 0.48 0.00 0.00 55.95 58.09 3kea s SER 20 Cb 0.10 -2.10 1.20 0.00 0.10 0.00 0.00 66.02 65.32 3kea s SER 20 CO 0.79 -3.10 1.77 2.29 0.98 0.00 0.00 173.24 175.97 3kea n LYS 21 N -4.18 0.36 0.00 4.02 0.00 -1.26 -3.33 118.16 113.77 3kea n LYS 21 Ca 0.06 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.55 3kea n LYS 21 Cb 0.56 -1.50 0.19 0.00 -0.00 0.00 0.00 35.03 34.27 3kea n LYS 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3kea n ASP 22 N -1.26 1.96 0.28 -5.58 8.00 -1.26 -4.67 116.55 114.02 3kea n ASP 22 Ca 0.12 -1.49 0.15 0.00 0.71 0.00 0.00 54.79 54.27 3kea n ASP 22 Cb 0.18 0.21 0.85 0.00 -0.02 0.00 0.00 41.12 42.34 3kea n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kea h THR 23 N 2.70 0.49 -0.01 -3.53 1.03 -1.71 -2.07 112.91 109.81 3kea h THR 23 Ca 0.00 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3kea h THR 23 Cb 0.72 1.17 -0.00 0.00 -1.07 0.00 0.00 68.15 68.97 3kea h THR 23 CO 0.00 0.06 -0.21 0.49 -0.01 0.00 0.00 175.52 175.85 3kea n PHE 24 N -3.67 0.02 -2.68 0.00 3.72 -1.26 -4.71 117.46 108.88 3kea n PHE 24 Ca -0.02 -1.21 -0.29 0.00 -0.05 0.00 0.00 57.45 55.88 3kea n PHE 24 Cb 0.16 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 3kea n PHE 24 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kea s LYS 25 N -3.03 3.62 0.32 -1.08 -0.14 -0.78 -4.82 119.74 113.83 3kea s LYS 25 Ca 0.35 0.31 -0.19 0.00 -1.36 0.00 0.00 55.97 55.07 3kea s LYS 25 Cb 0.32 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 34.01 3kea s LYS 25 CO -0.01 -0.16 0.81 0.00 -0.76 0.00 0.00 175.35 175.23 3kea s ALA 26 N -2.63 3.27 0.81 5.17 0.00 -1.26 -4.36 121.76 122.75 3kea s ALA 26 Ca 0.49 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3kea s ALA 26 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3kea s ALA 26 CO 0.41 0.26 0.00 -0.40 0.00 0.00 0.00 175.76 176.03 3kea n ASP 27 N 0.04 0.00 0.29 0.00 3.85 0.66 -4.81 116.55 116.59 3kea n ASP 27 Ca 0.02 -0.78 0.18 0.00 -0.71 0.00 0.00 54.79 53.50 3kea n ASP 27 Cb 0.52 0.00 0.85 0.00 -1.35 0.00 0.00 41.12 41.14 3kea n ASP 27 CO 0.00 0.00 0.00 -0.37 -1.01 0.00 0.00 177.20 175.82 3kea h VAL 28 N -0.63 0.09 -0.01 2.12 -1.51 -1.94 -0.66 116.25 113.71 3kea h VAL 28 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 3kea h VAL 28 Cb 0.00 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3kea h VAL 28 CO 0.00 0.02 -0.28 1.41 -1.23 0.00 0.00 177.57 177.49 3kea n HIS 29 N -3.17 0.00 -0.54 5.19 8.25 -1.26 -4.95 115.22 118.74 3kea n HIS 29 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3kea n HIS 29 Cb 0.23 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3kea n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kea n GLY 30 N 1.36 0.68 3.48 -1.41 0.00 -0.26 -5.08 105.19 103.96 3kea n GLY 30 Ca 0.11 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 3kea n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kea s HIS 31 N -2.00 2.59 0.74 1.61 3.76 -1.26 -4.67 115.29 116.06 3kea s HIS 31 Ca 0.00 -0.23 -0.07 0.00 -0.15 0.00 0.00 55.06 54.61 3kea s HIS 31 Cb 0.00 -1.46 0.09 0.00 1.11 0.00 0.00 32.58 32.32 3kea s HIS 31 CO 0.00 0.29 1.05 -1.54 -0.85 0.00 0.00 174.74 173.69 3kea s SER 32 N -1.58 4.53 0.22 1.40 1.04 -1.26 -0.24 113.70 117.81 3kea s SER 32 Ca 0.16 0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.82 3kea s SER 32 Cb -0.11 -0.85 0.17 0.00 0.10 0.00 0.00 66.02 65.33 3kea s SER 32 CO 0.07 -1.78 1.82 0.00 0.98 0.00 0.00 173.24 174.33 3kea h ALA 33 N -0.72 1.05 -0.48 5.32 0.00 -1.84 -2.82 119.26 119.78 3kea h ALA 33 Ca -0.43 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.37 3kea h ALA 33 Cb 1.30 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3kea h ALA 33 CO 0.55 0.59 0.25 1.03 0.00 0.00 0.00 179.25 181.67 3kea h SER 34 N 1.15 0.37 -0.23 0.00 0.87 -1.95 -2.06 113.55 111.70 3kea h SER 34 Ca 0.28 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.93 3kea h SER 34 Cb 0.08 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 3kea h SER 34 CO -0.04 0.26 -0.28 0.22 -0.53 0.00 0.00 176.83 176.46 3kea h TYR 35 N 0.49 -0.76 -0.39 2.24 3.20 -1.89 0.20 116.97 120.06 3kea h TYR 35 Ca 0.21 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3kea h TYR 35 Cb 0.10 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3kea h TYR 35 CO -0.09 -0.35 0.11 1.88 -1.64 0.00 0.00 178.16 178.07 3kea h TYR 36 N -0.30 0.58 -0.22 -3.82 0.05 -1.32 -0.75 116.97 111.19 3kea h TYR 36 Ca 0.13 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 3kea h TYR 36 Cb 0.50 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 3kea h TYR 36 CO -0.42 0.49 -0.14 0.00 -1.05 0.00 0.00 178.16 177.04 3kea h ALA 37 N 1.56 0.31 -0.18 3.88 0.00 -0.81 -2.39 119.26 121.64 3kea h ALA 37 Ca 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3kea h ALA 37 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kea h ALA 37 CO -0.01 0.19 0.09 0.82 0.00 0.00 0.00 179.25 180.35 3kea h ILE 38 N 0.18 1.11 -0.72 0.00 2.04 -0.89 0.21 117.51 119.44 3kea h ILE 38 Ca 0.04 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3kea h ILE 38 Cb 0.66 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3kea h ILE 38 CO 0.04 0.10 0.47 0.00 0.00 0.00 0.00 178.15 178.76 3kea h ALA 39 N 0.98 1.69 -0.15 1.87 0.00 -1.04 -0.09 119.26 122.52 3kea h ALA 39 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kea h ALA 39 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kea h ALA 39 CO -0.01 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 3kea n ASP 40 N -4.48 1.17 -3.95 0.00 10.43 -0.91 -4.93 116.55 113.89 3kea n ASP 40 Ca 0.10 -1.74 -0.31 0.00 2.57 0.00 0.00 54.79 55.42 3kea n ASP 40 Cb 0.21 -0.10 0.02 0.00 1.84 0.00 0.00 41.12 43.09 3kea n ASP 40 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kea n ASN 41 N 0.04 -4.50 -4.44 -2.24 5.15 -0.05 -4.90 115.26 104.32 3kea n ASN 41 Ca 0.13 -0.81 -0.44 0.00 -0.60 0.00 0.00 54.58 52.86 3kea n ASN 41 Cb 0.23 -3.75 -0.00 0.00 -0.53 0.00 0.00 39.78 35.73 3kea n ASN 41 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3kea s ASN 42 N -3.35 7.04 0.16 1.20 3.84 0.72 -4.84 114.94 119.71 3kea s ASN 42 Ca 0.65 -2.94 -0.16 0.00 0.21 0.00 0.00 52.86 50.63 3kea s ASN 42 Cb -0.33 -2.37 0.05 0.00 -0.55 0.00 0.00 41.25 38.05 3kea s ASN 42 CO 0.84 -0.73 1.78 0.58 -2.79 0.00 0.00 177.10 176.78 3kea h VAL 43 N 4.70 0.99 -0.45 -5.21 2.07 -1.90 0.16 116.25 116.61 3kea h VAL 43 Ca 0.28 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.67 3kea h VAL 43 Cb 0.90 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3kea h VAL 43 CO 1.19 0.07 0.28 -0.09 0.02 0.00 0.00 177.57 179.04 3kea h ARG 44 N 0.40 0.54 -0.11 1.57 9.65 -1.97 -0.99 114.38 123.47 3kea h ARG 44 Ca 0.16 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 3kea h ARG 44 Cb 0.06 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3kea h ARG 44 CO -0.11 0.36 0.00 1.25 2.80 0.00 0.00 179.97 184.27 3kea h LEU 45 N 0.56 0.18 -0.66 3.80 5.85 -1.83 -2.03 115.31 121.18 3kea h LEU 45 Ca 0.17 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.72 3kea h LEU 45 Cb -0.02 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 40.84 3kea h LEU 45 CO -0.06 0.44 -0.21 0.58 -0.34 0.00 0.00 178.44 178.85 3kea h VAL 46 N -0.08 0.28 -0.66 1.05 2.07 -0.40 0.54 116.25 119.06 3kea h VAL 46 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3kea h VAL 46 Cb 0.34 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3kea h VAL 46 CO 0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 3kea h THR 48 N 1.01 1.18 -0.68 0.00 2.02 -0.54 0.26 112.91 116.17 3kea h THR 48 Ca 0.20 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 3kea h THR 48 Cb 0.44 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3kea h THR 48 CO 0.01 0.18 0.22 -0.07 0.37 0.00 0.00 175.52 176.23 3kea h LEU 49 N 1.00 0.98 -0.66 2.58 3.38 -0.32 -2.12 115.31 120.16 3kea h LEU 49 Ca 0.28 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3kea h LEU 49 Cb -0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3kea h LEU 49 CO -0.07 0.93 0.23 -0.07 0.09 0.00 0.00 178.44 179.55 3kea h LEU 50 N 0.99 0.94 -1.81 1.67 3.38 -0.22 -2.12 115.31 118.13 3kea h LEU 50 Ca 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kea h LEU 50 Cb 0.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kea h LEU 50 CO -0.01 0.88 -0.04 0.78 0.09 0.00 0.00 178.44 180.14 3kea h ASN 51 N 0.94 0.06 0.61 -0.43 2.35 -0.22 -1.40 115.58 117.49 3kea h ASN 51 Ca 0.22 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3kea h ASN 51 Cb 0.26 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3kea h ASN 51 CO -0.01 0.11 -0.08 0.00 -1.65 0.00 0.00 177.43 175.80 3kea n ALA 52 N -2.52 2.62 0.00 -0.83 0.00 -0.82 -4.94 120.51 114.02 3kea n ALA 52 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3kea n ALA 52 Cb 0.15 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3kea n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kea n GLY 53 N 1.36 1.73 0.33 0.00 0.00 -0.53 -5.02 105.19 103.06 3kea n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kea n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kea h ALA 54 N 0.00 1.44 0.00 4.61 0.00 -1.52 -2.80 119.26 120.99 3kea h ALA 54 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kea h ALA 54 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kea h ALA 54 CO 0.00 0.48 0.00 1.28 0.00 0.00 0.00 179.25 181.01 3kea n LEU 55 N -4.40 0.46 -0.01 0.00 4.77 -1.26 -2.38 117.00 114.19 3kea n LEU 55 Ca 0.07 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 3kea n LEU 55 Cb 0.08 -0.45 0.31 0.00 -2.33 0.00 0.00 43.42 41.03 3kea n LEU 55 CO 0.37 -0.24 0.54 0.29 -1.33 0.00 0.00 177.39 177.02 3kea n LYS 56 N -1.96 0.05 -1.10 3.23 5.02 -1.06 -4.19 118.16 118.15 3kea n LYS 56 Ca 0.05 -0.03 0.02 0.00 -2.02 0.00 0.00 58.31 56.33 3kea n LYS 56 Cb 0.32 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.96 3kea n LYS 56 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kea n ASN 57 N -1.45 1.93 -4.77 4.39 4.13 -1.00 -5.08 115.26 113.42 3kea n ASN 57 Ca 0.06 -3.34 -0.39 0.00 1.68 0.00 0.00 54.58 52.59 3kea n ASN 57 Cb 0.34 -0.45 -0.02 0.00 -1.54 0.00 0.00 39.78 38.11 3kea n ASN 57 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kea s LEU 58 N -2.55 4.20 0.84 3.41 1.43 -1.20 -4.93 118.68 119.88 3kea s LEU 58 Ca 0.38 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.79 3kea s LEU 58 Cb 0.38 -3.98 0.09 0.00 0.03 0.00 0.00 46.19 42.71 3kea s LEU 58 CO -0.08 -0.72 1.14 -0.76 0.23 0.00 0.00 176.35 176.16 3kea s LEU 59 N -2.47 2.37 0.44 1.79 1.43 -1.26 -4.98 118.68 116.00 3kea s LEU 59 Ca 0.57 0.95 0.29 0.00 -1.03 0.00 0.00 54.13 54.91 3kea s LEU 59 Cb -0.33 -3.43 1.01 0.00 0.03 0.00 0.00 46.19 43.47 3kea s LEU 59 CO 0.41 -2.10 1.83 1.05 0.23 0.00 0.00 176.35 177.78 3kea h GLU 60 N -1.18 0.00 -0.42 1.70 9.09 -2.02 -2.23 114.58 119.52 3kea h GLU 60 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3kea h GLU 60 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 3kea h GLU 60 CO 0.63 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.96 3kea n ASN 61 N -2.86 3.15 -4.57 3.06 6.94 -1.26 -4.97 115.26 114.75 3kea n ASN 61 Ca 0.02 -1.96 -0.35 0.00 -0.02 0.00 0.00 54.58 52.27 3kea n ASN 61 Cb 0.36 -0.28 -0.11 0.00 -2.36 0.00 0.00 39.78 37.39 3kea n ASN 61 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kea s GLU 62 N -1.03 3.85 -0.55 -3.83 2.02 -0.84 -5.02 118.70 113.30 3kea s GLU 62 Ca 0.30 -0.40 0.04 0.00 0.02 0.00 0.00 54.97 54.93 3kea s GLU 62 Cb 0.16 -3.21 0.16 0.00 0.10 0.00 0.00 34.13 31.34 3kea s GLU 62 CO 0.21 0.14 0.40 -0.06 0.02 0.00 0.00 175.26 175.97 3kea s PHE 63 N 0.73 2.40 0.45 1.61 0.08 -1.26 -4.82 117.98 117.17 3kea s PHE 63 Ca 0.03 -2.83 0.13 0.00 0.12 0.00 0.00 56.93 54.38 3kea s PHE 63 Cb -0.13 -1.91 1.02 0.00 -0.57 0.00 0.00 43.02 41.43 3kea s PHE 63 CO 0.02 -0.69 2.03 -1.35 -0.10 0.00 0.00 175.22 175.13 3kea h PRO 64 N 5.68 0.09 -0.18 0.24 0.11 -1.99 -1.84 132.00 134.11 3kea h PRO 64 Ca 0.17 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 3kea h PRO 64 Cb 0.84 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3kea h PRO 64 CO 0.55 0.18 -0.10 1.25 -0.21 0.00 0.00 178.00 179.68 3kea h LEU 65 N 0.09 0.41 -1.17 2.35 5.85 -1.97 0.19 115.31 121.06 3kea h LEU 65 Ca 0.02 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3kea h LEU 65 Cb 0.21 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3kea h LEU 65 CO 0.01 0.74 0.56 0.45 -0.34 0.00 0.00 178.44 179.87 3kea h HIS 66 N 0.08 1.05 -0.17 1.25 3.86 -1.80 -0.28 115.15 119.14 3kea h HIS 66 Ca 0.04 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 3kea h HIS 66 Cb 0.59 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 3kea h HIS 66 CO 0.07 0.64 -0.20 0.37 0.86 0.00 0.00 177.93 179.66 3kea h GLN 67 N 1.11 0.43 0.00 2.45 4.15 -1.18 -3.18 115.11 118.89 3kea h GLN 67 Ca 0.33 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 3kea h GLN 67 Cb -0.05 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 3kea h GLN 67 CO -0.08 0.82 -0.13 0.00 -1.93 0.00 0.00 178.83 177.51 3kea h ALA 68 N 0.61 1.42 0.00 3.38 0.00 -0.25 -2.75 119.26 121.66 3kea h ALA 68 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kea h ALA 68 Cb 0.75 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kea h ALA 68 CO 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 3kea h ALA 69 N 1.87 1.02 0.00 0.00 0.00 -1.03 -2.16 119.26 118.97 3kea h ALA 69 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kea h ALA 69 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kea h ALA 69 CO 0.02 0.02 -0.12 0.25 0.00 0.00 0.00 179.25 179.41 3kea n THR 70 N -3.14 0.12 -2.89 0.00 -2.24 -1.04 -3.83 114.28 101.25 3kea n THR 70 Ca -0.01 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 3kea n THR 70 Cb 0.22 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 3kea n THR 70 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kea s LEU 71 N -3.32 4.52 0.09 3.22 1.43 -0.81 -4.99 118.68 118.81 3kea s LEU 71 Ca 0.12 1.73 -0.16 0.00 -1.03 0.00 0.00 54.13 54.80 3kea s LEU 71 Cb 0.17 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.73 3kea s LEU 71 CO 0.58 0.11 1.45 -0.08 0.23 0.00 0.00 176.35 178.64 3kea h GLU 72 N 3.89 0.61 -6.34 1.70 4.81 -1.89 -3.41 114.58 113.95 3kea h GLU 72 Ca -0.47 -0.27 -0.54 0.00 -0.13 0.00 0.00 59.36 57.95 3kea h GLU 72 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3kea h GLU 72 CO 0.66 0.85 1.04 0.34 -0.73 0.00 0.00 179.01 181.17 3kea s ASP 73 N -6.32 6.66 0.00 1.04 -1.08 -1.26 -4.82 116.67 110.89 3kea s ASP 73 Ca -0.13 2.31 0.17 0.00 -0.52 0.00 0.00 52.55 54.38 3kea s ASP 73 Cb 0.08 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.79 3kea s ASP 73 CO 0.80 -0.89 1.54 0.35 0.52 0.00 0.00 175.17 177.48 3kea n THR 74 N 5.15 0.12 -0.11 1.71 -2.24 -1.26 -4.43 114.28 113.21 3kea n THR 74 Ca 0.16 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 3kea n THR 74 Cb 0.42 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3kea n THR 74 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kea h LYS 75 N 1.03 0.55 -0.68 -0.78 1.63 -1.95 -1.38 116.57 114.99 3kea h LYS 75 Ca 0.00 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3kea h LYS 75 Cb 0.23 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3kea h LYS 75 CO 0.00 0.65 0.40 0.82 -3.45 0.00 0.00 179.45 177.87 3kea h ILE 76 N 0.37 1.20 -0.11 2.00 1.08 -1.93 0.39 117.51 120.51 3kea h ILE 76 Ca 0.10 -0.46 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3kea h ILE 76 Cb 0.38 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 3kea h ILE 76 CO 0.01 0.21 0.04 0.58 -0.69 0.00 0.00 178.15 178.30 3kea h VAL 77 N 0.95 1.15 -0.35 1.67 2.07 -1.75 0.14 116.25 120.12 3kea h VAL 77 Ca 0.24 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.39 3kea h VAL 77 Cb -0.01 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3kea h VAL 77 CO -0.04 0.13 -0.01 0.11 0.02 0.00 0.00 177.57 177.77 3kea h LYS 78 N 0.02 0.08 -0.24 1.57 1.57 -0.91 -1.79 116.57 116.87 3kea h LYS 78 Ca 0.04 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3kea h LYS 78 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3kea h LYS 78 CO -0.00 0.05 0.12 0.82 -0.57 0.00 0.00 179.45 179.87 3kea h ILE 79 N 0.08 1.00 -0.21 1.86 1.08 -0.47 -1.67 117.51 119.18 3kea h ILE 79 Ca 0.17 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.51 3kea h ILE 79 Cb 0.24 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3kea h ILE 79 CO -0.30 0.05 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.07 3kea h LEU 80 N 0.26 0.31 -0.21 1.44 3.38 -0.54 -1.57 115.31 118.37 3kea h LEU 80 Ca 0.09 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3kea h LEU 80 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kea h LEU 80 CO -0.06 0.42 -0.56 -0.07 0.09 0.00 0.00 178.44 178.26 3kea h LEU 81 N 0.32 0.86 -1.67 1.67 3.38 -1.05 -1.95 115.31 116.87 3kea h LEU 81 Ca 0.07 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3kea h LEU 81 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kea h LEU 81 CO 0.01 1.28 0.24 -0.26 0.09 0.00 0.00 178.44 179.80 3kea h PHE 82 N 0.48 0.42 0.00 1.13 0.05 -0.90 -0.76 116.94 117.37 3kea h PHE 82 Ca -0.01 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3kea h PHE 82 Cb 1.17 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 38.98 3kea h PHE 82 CO 0.09 0.26 0.00 0.43 -0.18 0.00 0.00 178.31 178.91 3kea n SER 83 N -4.48 0.00 0.00 2.17 7.64 -0.63 -4.89 113.62 113.43 3kea n SER 83 Ca 0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.16 3kea n SER 83 Cb 0.09 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 3kea n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kea n GLY 84 N 0.92 1.04 3.76 0.23 0.00 -0.29 -5.08 105.19 105.76 3kea n GLY 84 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kea n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kea s LEU 85 N 0.00 3.84 -0.29 0.99 1.43 -0.75 -4.97 118.68 118.93 3kea s LEU 85 Ca 0.00 2.55 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 3kea s LEU 85 Cb 0.00 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 3kea s LEU 85 CO 0.00 -1.42 0.63 -0.62 0.23 0.00 0.00 176.35 175.16 3kea s ASP 86 N -1.22 6.52 0.27 2.29 2.15 -1.26 -4.70 116.67 120.73 3kea s ASP 86 Ca 0.71 0.53 0.24 0.00 0.43 0.00 0.00 52.55 54.46 3kea s ASP 86 Cb -0.35 -2.33 1.00 0.00 -0.30 0.00 0.00 42.92 40.94 3kea s ASP 86 CO 0.41 -0.43 1.73 -0.90 -0.17 0.00 0.00 175.17 175.80 3kea n ASP 87 N 5.81 0.71 -1.16 -0.34 5.68 -1.26 -2.72 116.55 123.26 3kea n ASP 87 Ca -0.01 0.67 0.11 0.00 -0.50 0.00 0.00 54.79 55.07 3kea n ASP 87 Cb 0.49 -0.82 0.24 0.00 -1.14 0.00 0.00 41.12 39.88 3kea n ASP 87 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3kea n SER 88 N -2.28 3.54 -4.77 -1.12 3.41 -1.26 -4.42 113.62 106.72 3kea n SER 88 Ca 0.02 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 3kea n SER 88 Cb 0.24 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3kea n SER 88 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3kea s GLN 89 N -1.29 4.33 0.23 4.33 0.74 -1.10 -4.92 119.66 121.98 3kea s GLN 89 Ca 0.40 2.25 -0.09 0.00 0.05 0.00 0.00 55.36 57.97 3kea s GLN 89 Cb 0.22 -3.07 -0.07 0.00 1.10 0.00 0.00 33.01 31.19 3kea s GLN 89 CO 0.31 -0.25 0.54 -0.06 -0.55 0.00 0.00 175.29 175.27 3kea s PHE 90 N -0.94 3.43 0.00 1.67 0.08 -1.26 -4.26 117.98 116.71 3kea s PHE 90 Ca 0.51 0.82 0.00 0.00 0.12 0.00 0.00 56.93 58.38 3kea s PHE 90 Cb -0.40 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3kea s PHE 90 CO 0.52 0.27 0.00 -0.40 -0.10 0.00 0.00 175.22 175.51 3kea n ASP 91 N -0.21 0.00 0.00 1.36 5.68 -0.56 -4.87 116.55 117.95 3kea n ASP 91 Ca 0.00 -0.33 0.08 0.00 -0.50 0.00 0.00 54.79 54.04 3kea n ASP 91 Cb 0.52 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.98 3kea n ASP 91 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kea n ASP 92 N -0.98 0.00 -0.03 -1.12 5.68 -1.26 -1.97 116.55 116.86 3kea n ASP 92 Ca 0.00 -0.98 0.01 0.00 -0.50 0.00 0.00 54.79 53.32 3kea n ASP 92 Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 3kea n ASP 92 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kea n LYS 93 N -0.84 2.90 -1.32 0.11 5.02 -1.26 -5.00 118.16 117.78 3kea n LYS 93 Ca 0.12 -1.58 -0.03 0.00 -2.02 0.00 0.00 58.31 54.80 3kea n LYS 93 Cb 0.05 -1.04 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 3kea n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kea n GLY 94 N -0.51 0.52 3.63 0.72 0.00 -0.83 -4.92 105.19 103.80 3kea n GLY 94 Ca 0.01 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 3kea n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kea s ASN 95 N -2.95 4.79 0.83 1.61 0.01 -1.26 -2.23 114.94 115.75 3kea s ASN 95 Ca 0.00 -0.14 -0.10 0.00 -0.71 0.00 0.00 52.86 51.91 3kea s ASN 95 Cb 0.00 -1.14 0.13 0.00 0.41 0.00 0.00 41.25 40.65 3kea s ASN 95 CO 0.00 0.25 1.16 0.42 -1.51 0.00 0.00 177.10 177.42 3kea s THR 96 N -1.09 2.10 0.22 1.60 -4.23 -1.26 -1.50 115.64 111.48 3kea s THR 96 Ca 0.20 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 3kea s THR 96 Cb -0.11 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 3kea s THR 96 CO 0.11 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.78 3kea h ALA 97 N -1.07 0.85 -0.89 3.99 0.00 -1.77 -3.09 119.26 117.27 3kea h ALA 97 Ca -0.43 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 54.16 3kea h ALA 97 Cb 1.27 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3kea h ALA 97 CO 0.48 0.64 0.58 1.25 0.00 0.00 0.00 179.25 182.20 3kea h LEU 98 N 0.48 0.74 -0.89 0.00 5.85 -1.93 -2.04 115.31 117.52 3kea h LEU 98 Ca 0.04 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3kea h LEU 98 Cb 0.89 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3kea h LEU 98 CO 0.08 0.41 0.58 0.22 -0.34 0.00 0.00 178.44 179.38 3kea h TYR 99 N 0.81 1.08 0.00 1.25 3.20 -1.91 -0.28 116.97 121.12 3kea h TYR 99 Ca 0.43 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.17 3kea h TYR 99 Cb 0.55 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3kea h TYR 99 CO -0.00 0.62 -0.74 1.88 -1.64 0.00 0.00 178.16 178.28 3kea h TYR 100 N 1.12 0.00 -0.54 -3.82 0.05 -1.48 0.79 116.97 113.10 3kea h TYR 100 Ca 0.36 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.05 3kea h TYR 100 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3kea h TYR 100 CO -0.02 0.74 0.01 0.00 -1.05 0.00 0.00 178.16 177.85 3kea h ALA 101 N 1.26 0.72 0.13 3.88 0.00 -0.75 -0.29 119.26 124.20 3kea h ALA 101 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3kea h ALA 101 Cb 1.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kea h ALA 101 CO 0.10 0.54 -0.06 0.28 0.00 0.00 0.00 179.25 180.10 3kea h VAL 102 N 0.82 0.91 0.00 0.00 2.07 -0.73 0.05 116.25 119.36 3kea h VAL 102 Ca 0.15 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3kea h VAL 102 Cb 0.52 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3kea h VAL 102 CO 0.03 0.03 -0.07 -0.78 0.02 0.00 0.00 177.57 176.80 3kea h ASP 103 N -0.24 0.00 0.25 0.57 3.58 -0.76 0.91 116.42 120.72 3kea h ASP 103 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3kea h ASP 103 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3kea h ASP 103 CO 0.03 0.07 -0.61 -1.20 -2.88 0.00 0.00 179.24 174.65 3kea n SER 104 N -3.81 0.90 -2.77 2.28 7.64 -0.13 -4.98 113.62 112.76 3kea n SER 104 Ca -0.02 -0.72 -0.19 0.00 1.01 0.00 0.00 58.87 58.95 3kea n SER 104 Cb 0.17 0.48 0.05 0.00 -1.01 0.00 0.00 64.21 63.90 3kea n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kea n GLY 105 N 1.47 -0.27 3.95 0.23 0.00 0.31 -5.06 105.19 105.82 3kea n GLY 105 Ca 0.07 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 3kea n GLY 105 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kea s ASN 106 N -3.05 5.82 0.00 1.61 0.02 -0.13 -5.02 114.94 114.18 3kea s ASN 106 Ca 0.38 0.38 0.00 0.00 -1.02 0.00 0.00 52.86 52.60 3kea s ASN 106 Cb -0.17 -1.59 0.00 0.00 0.02 0.00 0.00 41.25 39.51 3kea s ASN 106 CO 0.47 -0.75 0.00 0.00 0.02 0.00 0.00 177.10 176.84 3kea n GLN 108 N -2.16 0.00 0.05 -0.60 1.13 -1.26 -1.16 117.38 113.38 3kea n GLN 108 Ca 0.02 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 3kea n GLN 108 Cb 0.58 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.90 3kea n GLN 108 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3kea h THR 109 N 0.00 1.37 0.15 5.09 2.02 -1.92 -1.97 112.91 117.64 3kea h THR 109 Ca 0.00 -2.27 0.01 0.00 0.77 0.00 0.00 66.41 64.93 3kea h THR 109 Cb 0.00 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3kea h THR 109 CO 0.00 0.68 -0.26 0.58 0.37 0.00 0.00 175.52 176.89 3kea h VAL 110 N 0.30 0.42 -0.25 3.16 2.07 -1.46 -2.58 116.25 117.90 3kea h VAL 110 Ca -0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kea h VAL 110 Cb 1.47 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3kea h VAL 110 CO 0.15 0.00 0.17 0.11 0.02 0.00 0.00 177.57 178.03 3kea h LYS 111 N -0.49 0.19 -0.11 1.57 1.57 -1.82 -2.18 116.57 115.30 3kea h LYS 111 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3kea h LYS 111 Cb 0.50 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kea h LYS 111 CO -0.13 0.12 0.03 1.25 -0.57 0.00 0.00 179.45 180.15 3kea h LEU 112 N 0.19 0.15 -0.20 2.94 6.46 -1.10 -1.45 115.31 122.30 3kea h LEU 112 Ca 0.11 -0.19 -0.22 0.00 -0.12 0.00 0.00 57.88 57.45 3kea h LEU 112 Cb 0.19 -0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3kea h LEU 112 CO -0.02 0.31 -0.88 -0.26 -0.62 0.00 0.00 178.44 176.97 3kea h PHE 113 N -0.01 0.76 -0.13 1.25 0.04 -1.20 -2.97 116.94 114.67 3kea h PHE 113 Ca 0.03 -0.38 -0.14 0.00 2.80 0.00 0.00 57.97 60.29 3kea h PHE 113 Cb 0.21 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3kea h PHE 113 CO -0.01 1.19 -0.52 0.28 -0.60 0.00 0.00 178.31 178.65 3kea h VAL 114 N 0.33 1.34 -0.15 -0.55 2.07 -1.38 -1.88 116.25 116.03 3kea h VAL 114 Ca -0.07 -1.78 -0.08 0.00 0.82 0.00 0.00 66.70 65.59 3kea h VAL 114 Cb 1.50 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3kea h VAL 114 CO 0.16 0.54 -0.28 0.11 0.02 0.00 0.00 177.57 178.12 3kea h LYS 115 N 0.29 0.27 0.69 1.57 1.57 -1.30 -2.65 116.57 117.01 3kea h LYS 115 Ca 0.01 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3kea h LYS 115 Cb 1.02 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.31 3kea h LYS 115 CO 0.09 0.54 -0.33 0.87 -0.57 0.00 0.00 179.45 180.05 3kea h LYS 116 N 0.24 -0.89 -2.32 3.15 1.57 -1.31 -3.44 116.57 113.58 3kea h LYS 116 Ca 0.04 0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3kea h LYS 116 Cb 0.63 0.20 -0.24 0.00 0.08 0.00 0.00 32.23 32.90 3kea h LYS 116 CO 0.05 -0.56 -0.20 0.54 -0.57 0.00 0.00 179.45 178.71 3kea s ASN 117 N -4.48 -0.69 0.58 0.86 4.22 -0.74 -5.03 114.94 109.66 3kea s ASN 117 Ca -0.16 1.22 0.28 0.00 -2.14 0.00 0.00 52.86 52.06 3kea s ASN 117 Cb 0.02 1.37 1.76 0.00 1.28 0.00 0.00 41.25 45.68 3kea s ASN 117 CO 0.50 -0.22 2.24 4.11 -2.04 0.00 0.00 177.10 181.69 3kea h TRP 118 N 7.51 0.00 0.00 1.54 5.08 -1.71 -2.18 115.95 126.19 3kea h TRP 118 Ca -0.26 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.69 3kea h TRP 118 Cb 1.16 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.32 3kea h TRP 118 CO 0.19 0.01 -0.08 0.00 -1.28 0.00 0.00 178.44 177.27 3kea h ARG 119 N 0.00 0.00 -2.54 0.12 3.08 -1.93 -3.41 114.38 109.70 3kea h ARG 119 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kea h ARG 119 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kea h ARG 119 CO 0.00 0.08 0.17 1.28 -1.07 0.00 0.00 179.97 180.43 3kea n LEU 120 N -3.73 0.00 0.00 3.04 4.77 -0.82 -3.61 117.00 116.65 3kea n LEU 120 Ca -0.02 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3kea n LEU 120 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3kea n LEU 120 CO 0.29 -0.22 0.00 0.49 -1.33 0.00 0.00 177.39 176.62 3kea n PHE 122 N 2.06 0.00 -3.36 -1.77 3.01 -1.26 -4.67 117.46 111.46 3kea n PHE 122 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.08 3kea n PHE 122 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 3kea n PHE 122 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3kea s TYR 123 N 0.00 3.68 0.00 1.38 2.02 -1.24 -4.91 117.35 118.29 3kea s TYR 123 Ca 0.00 1.05 0.00 0.00 -0.37 0.00 0.00 57.07 57.75 3kea s TYR 123 Cb 0.00 -2.44 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 3kea s TYR 123 CO 0.00 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.86 3kea n GLY 124 N 2.26 1.63 0.37 0.71 0.00 -1.26 -4.25 105.19 104.66 3kea n GLY 124 Ca -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3kea n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kea h LYS 125 N 0.00 1.20 -6.01 1.61 3.64 -1.74 -3.43 116.57 111.83 3kea h LYS 125 Ca 0.00 -0.07 -0.59 0.00 -1.27 0.00 0.00 60.65 58.72 3kea h LYS 125 Cb 0.00 -0.27 -0.14 0.00 -0.41 0.00 0.00 32.23 31.41 3kea h LYS 125 CO 0.00 0.80 -0.72 0.99 -2.27 0.00 0.00 179.45 178.24 3kea s THR 126 N -6.05 2.28 0.45 1.00 2.01 -1.26 -5.02 115.64 109.05 3kea s THR 126 Ca -0.12 -2.30 0.17 0.00 0.31 0.00 0.00 61.69 59.74 3kea s THR 126 Cb 0.19 -2.41 0.36 0.00 0.01 0.00 0.00 72.50 70.65 3kea s THR 126 CO 0.81 -0.34 1.95 1.23 -0.69 0.00 0.00 174.62 177.59 3kea h GLY 127 N 2.21 0.52 1.89 4.40 0.00 -1.97 -1.18 103.07 108.94 3kea h GLY 127 Ca -0.41 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3kea h GLY 127 CO 0.64 0.06 0.00 0.79 0.00 0.00 0.00 176.54 178.03 3kea n TRP 128 N -4.45 0.00 0.60 5.60 7.02 -1.26 -2.83 117.44 122.11 3kea n TRP 128 Ca 0.12 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.71 3kea n TRP 128 Cb 0.50 -0.44 0.14 0.00 -2.42 0.00 0.00 31.31 29.08 3kea n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3kea n LYS 129 N -1.44 2.15 -2.44 -0.99 5.02 -0.45 -4.70 118.16 115.31 3kea n LYS 129 Ca 0.09 -1.96 -0.36 0.00 -2.02 0.00 0.00 58.31 54.05 3kea n LYS 129 Cb 0.30 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3kea n LYS 129 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3kea s THR 130 N -1.59 3.51 0.34 -0.18 -4.23 -1.13 -4.64 115.64 107.71 3kea s THR 130 Ca 0.30 1.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.92 3kea s THR 130 Cb 0.19 -3.53 0.22 0.00 1.34 0.00 0.00 72.50 70.72 3kea s THR 130 CO 0.28 -0.06 1.95 0.28 -0.54 0.00 0.00 174.62 176.53 3kea h SER 131 N 2.10 0.66 -0.13 3.99 0.02 -1.83 -0.93 113.55 117.41 3kea h SER 131 Ca -0.49 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3kea h SER 131 Cb 1.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3kea h SER 131 CO 0.61 0.56 0.08 0.15 -1.14 0.00 0.00 176.83 177.09 3kea h PHE 132 N 0.73 0.17 -0.42 3.45 3.57 -1.92 -1.57 116.94 120.95 3kea h PHE 132 Ca 0.18 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 3kea h PHE 132 Cb 0.08 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3kea h PHE 132 CO 0.01 0.16 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.11 3kea h TYR 133 N 0.14 0.95 -0.50 0.41 3.20 -1.67 -2.27 116.97 117.23 3kea h TYR 133 Ca 0.05 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 3kea h TYR 133 Cb 0.04 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3kea h TYR 133 CO -0.05 0.97 0.14 1.25 -1.64 0.00 0.00 178.16 178.83 3kea h HIS 134 N 0.73 0.82 -0.53 -3.82 2.76 -1.19 -2.63 115.15 111.30 3kea h HIS 134 Ca 0.10 -0.09 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 3kea h HIS 134 Cb 0.75 -0.24 -0.06 0.00 1.55 0.00 0.00 27.41 29.41 3kea h HIS 134 CO 0.04 0.73 0.18 0.00 -1.30 0.00 0.00 177.93 177.58 3kea h ALA 135 N 1.00 0.65 0.00 5.26 0.00 -1.17 -1.14 119.26 123.86 3kea h ALA 135 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kea h ALA 135 Cb 0.31 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kea h ALA 135 CO -0.00 -0.23 0.00 0.28 0.00 0.00 0.00 179.25 179.30 3kea n VAL 136 N -5.02 0.02 0.00 0.00 0.31 -0.87 -1.45 118.33 111.32 3kea n VAL 136 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3kea n VAL 136 Cb 0.23 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 3kea n VAL 136 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kea n LEU 138 N 0.73 0.00 -3.67 7.52 4.77 -0.43 -4.52 117.00 121.40 3kea n LEU 138 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3kea n LEU 138 Cb 0.02 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3kea n LEU 138 CO 0.00 0.00 0.07 -3.20 -1.33 0.00 0.00 177.39 172.93 3kea n ASN 139 N 0.00 -4.89 -4.51 -1.43 5.15 -1.11 -4.91 115.26 103.56 3kea n ASN 139 Ca 0.00 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 52.93 3kea n ASN 139 Cb 0.00 -3.93 -0.01 0.00 -0.53 0.00 0.00 39.78 35.32 3kea n ASN 139 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3kea s ASP 140 N -3.10 6.87 0.41 1.20 -1.08 -0.53 -4.85 116.67 115.59 3kea s ASP 140 Ca 0.56 -2.51 0.07 0.00 -0.52 0.00 0.00 52.55 50.15 3kea s ASP 140 Cb -0.28 -2.48 0.86 0.00 -1.46 0.00 0.00 42.92 39.56 3kea s ASP 140 CO 0.70 -1.02 2.06 0.58 0.52 0.00 0.00 175.17 178.01 3kea h VAL 141 N 5.36 1.11 -0.18 1.11 2.07 -1.91 -2.02 116.25 121.80 3kea h VAL 141 Ca 0.33 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3kea h VAL 141 Cb 0.91 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3kea h VAL 141 CO 1.32 0.11 0.05 0.28 0.02 0.00 0.00 177.57 179.34 3kea h SER 142 N 0.54 0.27 -0.29 0.57 0.02 -1.98 -0.84 113.55 111.84 3kea h SER 142 Ca 0.14 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3kea h SER 142 Cb -0.05 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3kea h SER 142 CO -0.03 0.42 0.12 0.40 -1.14 0.00 0.00 176.83 176.59 3kea h ILE 143 N 0.10 1.17 -0.66 3.27 1.08 -1.86 -2.10 117.51 118.52 3kea h ILE 143 Ca 0.06 -0.53 -0.07 0.00 -0.39 0.00 0.00 64.86 63.92 3kea h ILE 143 Cb 0.25 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 3kea h ILE 143 CO -0.00 0.18 0.12 0.58 -0.69 0.00 0.00 178.15 178.34 3kea h VAL 144 N 0.32 1.26 -1.00 1.67 2.07 -1.36 0.16 116.25 119.37 3kea h VAL 144 Ca 0.10 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.65 3kea h VAL 144 Cb 0.18 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3kea h VAL 144 CO -0.01 0.38 0.65 -1.28 0.02 0.00 0.00 177.57 177.34 3kea h SER 145 N 1.00 1.07 -0.10 0.57 0.87 -1.13 -0.85 113.55 114.99 3kea h SER 145 Ca 0.20 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3kea h SER 145 Cb 0.42 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3kea h SER 145 CO 0.01 0.72 -0.04 0.22 -0.53 0.00 0.00 176.83 177.21 3kea h TYR 146 N 1.24 0.22 -0.42 2.24 3.20 -0.67 -2.76 116.97 120.01 3kea h TYR 146 Ca 0.41 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.31 3kea h TYR 146 Cb 0.06 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3kea h TYR 146 CO -0.00 0.53 -0.05 0.74 -1.64 0.00 0.00 178.16 177.74 3kea h PHE 147 N -0.15 -0.11 -0.17 -3.82 0.04 -0.34 -2.13 116.94 110.26 3kea h PHE 147 Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3kea h PHE 147 Cb 0.47 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 3kea h PHE 147 CO 0.06 -0.13 -0.08 -0.07 -0.60 0.00 0.00 178.31 177.49 3kea h LEU 148 N 0.06 0.23 0.00 1.54 3.38 -1.18 -1.38 115.31 117.97 3kea h LEU 148 Ca 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kea h LEU 148 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kea h LEU 148 CO -0.39 0.35 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 3kea n SER 149 N -4.31 0.00 -0.22 -0.43 3.41 -0.81 -2.71 113.62 108.54 3kea n SER 149 Ca -0.01 0.37 0.03 0.00 -0.26 0.00 0.00 58.87 59.01 3kea n SER 149 Cb 0.23 -0.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.77 3kea n SER 149 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kea n GLU 150 N -1.44 0.56 -2.62 4.33 -0.58 -0.54 -4.96 120.64 115.39 3kea n GLU 150 Ca 0.04 -0.77 -0.43 0.00 -0.42 0.00 0.00 57.16 55.59 3kea n GLU 150 Cb 0.15 -1.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.92 3kea n GLU 150 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3kea s ILE 151 N -0.66 4.63 0.47 -3.67 1.01 -1.08 -4.89 121.20 117.01 3kea s ILE 151 Ca 0.07 1.94 -0.23 0.00 0.00 0.00 0.00 60.65 62.42 3kea s ILE 151 Cb 0.05 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 3kea s ILE 151 CO 0.10 -0.09 1.22 -2.16 0.00 0.00 0.00 174.94 174.02 3kea s PRO 152 N 2.68 3.66 0.49 2.79 0.04 -1.26 -4.89 135.00 138.51 3kea s PRO 152 Ca 0.48 1.93 0.23 0.00 0.04 0.00 0.00 61.00 63.67 3kea s PRO 152 Cb -0.18 -2.43 1.27 0.00 0.04 0.00 0.00 34.50 33.20 3kea s PRO 152 CO 0.13 -0.67 1.94 0.66 0.04 0.00 0.00 177.00 179.09 3kea h SER 153 N 2.02 0.16 0.00 6.66 4.64 -1.98 -1.08 113.55 123.98 3kea h SER 153 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kea h SER 153 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kea h SER 153 CO 0.60 0.08 0.00 0.41 -0.87 0.00 0.00 176.83 177.05 3kea n THR 154 N -4.40 0.00 -4.42 2.95 -1.04 -1.26 -4.62 114.28 101.48 3kea n THR 154 Ca 0.14 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.95 3kea n THR 154 Cb 0.66 -1.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.03 3kea n THR 154 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3kea s PHE 155 N -1.98 0.96 -0.26 -1.42 5.36 -0.41 -5.11 117.98 115.12 3kea s PHE 155 Ca 0.00 -0.21 -0.04 0.00 -0.96 0.00 0.00 56.93 55.71 3kea s PHE 155 Cb 0.00 -0.61 0.01 0.00 -0.34 0.00 0.00 43.02 42.08 3kea s PHE 155 CO 0.00 -0.01 0.00 0.16 -1.46 0.00 0.00 175.22 173.91 3kea s ASP 156 N -0.41 4.67 -0.09 6.13 -4.77 -1.26 -4.81 116.67 116.11 3kea s ASP 156 Ca 0.03 -0.67 -0.32 0.00 -3.30 0.00 0.00 52.55 48.29 3kea s ASP 156 Cb -0.05 -1.78 -0.10 0.00 -1.09 0.00 0.00 42.92 39.91 3kea s ASP 156 CO -0.00 -0.12 2.00 -0.11 0.70 0.00 0.00 175.17 177.64 3kea n LEU 157 N 4.79 3.55 -0.00 2.11 0.00 -1.26 -4.91 117.00 121.29 3kea n LEU 157 Ca -0.16 0.76 -0.18 0.00 0.00 0.00 0.00 56.01 56.43 3kea n LEU 157 Cb 0.48 -1.45 -0.10 0.00 0.00 0.00 0.00 43.42 42.36 3kea n LEU 157 CO 0.29 -0.14 0.24 0.00 0.00 0.00 0.00 177.39 177.79 3kea h ALA 158 N 11.03 0.15 -0.16 1.96 0.00 -2.04 -3.37 119.26 126.84 3kea h ALA 158 Ca -0.46 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3kea h ALA 158 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kea h ALA 158 CO 0.95 0.49 0.00 0.44 0.00 0.00 0.00 179.25 181.13 3kea n ILE 159 N -4.10 0.21 -0.26 0.00 -5.35 -1.26 -4.36 119.36 104.24 3kea n ILE 159 Ca -0.09 -0.23 0.31 0.00 -0.27 0.00 0.00 62.75 62.47 3kea n ILE 159 Cb 0.71 0.10 0.72 0.00 -1.74 0.00 0.00 39.64 39.44 3kea n ILE 159 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3kea h LEU 160 N 1.08 0.03 -0.02 7.28 5.85 -1.99 -2.71 115.31 124.84 3kea h LEU 160 Ca 0.00 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.48 3kea h LEU 160 Cb 0.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kea h LEU 160 CO 0.00 0.01 -1.10 -0.07 -0.34 0.00 0.00 178.44 176.94 3kea h LEU 161 N 0.03 0.38 -0.82 2.25 3.38 -1.93 -2.55 115.31 116.05 3kea h LEU 161 Ca 0.50 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kea h LEU 161 Cb 1.96 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 3kea h LEU 161 CO -0.02 1.24 -0.31 0.28 0.09 0.00 0.00 178.44 179.71 3kea h SER 162 N 0.10 0.53 -0.13 -0.43 0.02 -1.84 -2.53 113.55 109.28 3kea h SER 162 Ca -0.10 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3kea h SER 162 Cb 1.79 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.18 3kea h SER 162 CO 0.18 0.82 -0.01 0.00 -1.14 0.00 0.00 176.83 176.68 3kea h ILE 164 N -0.05 1.02 0.10 0.00 2.04 -1.45 -1.71 117.51 117.47 3kea h ILE 164 Ca 0.04 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3kea h ILE 164 Cb 0.40 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3kea h ILE 164 CO 0.01 0.11 -0.28 -0.74 0.00 0.00 0.00 178.15 177.25 3kea h HIS 165 N 0.59 -0.76 -0.53 1.37 2.76 -1.42 -0.59 115.15 116.57 3kea h HIS 165 Ca 0.22 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.31 3kea h HIS 165 Cb 0.06 0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 3kea h HIS 165 CO -0.08 -0.39 -0.05 0.97 -1.30 0.00 0.00 177.93 177.09 3kea h ILE 166 N -0.49 1.26 0.24 6.26 6.09 -1.32 -0.44 117.51 129.12 3kea h ILE 166 Ca 0.03 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.37 3kea h ILE 166 Cb 0.52 0.90 -0.02 0.00 0.47 0.00 0.00 36.82 38.70 3kea h ILE 166 CO -0.17 0.41 -0.22 0.74 -3.07 0.00 0.00 178.15 175.83 3kea h THR 167 N 0.86 0.52 -0.10 2.19 2.02 -1.18 -2.12 112.91 115.09 3kea h THR 167 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3kea h THR 167 Cb 0.57 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3kea h THR 167 CO 0.03 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.35 3kea h ILE 168 N -0.49 1.18 -0.92 3.11 1.08 -0.93 -1.62 117.51 118.92 3kea h ILE 168 Ca -0.01 -0.57 0.23 0.00 -0.39 0.00 0.00 64.86 64.13 3kea h ILE 168 Cb 0.45 1.37 -0.13 0.00 -3.07 0.00 0.00 36.82 35.44 3kea h ILE 168 CO -0.04 0.16 0.43 0.50 -0.69 0.00 0.00 178.15 178.52 3kea h LYS 169 N -0.03 0.41 -0.45 2.37 3.64 -1.08 -2.68 116.57 118.75 3kea h LYS 169 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3kea h LYS 169 Cb 0.23 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3kea h LYS 169 CO -0.00 0.27 0.00 0.09 -2.27 0.00 0.00 179.45 177.54 3kea n ASN 170 N -5.02 3.19 -0.41 4.20 3.02 -0.80 -5.00 115.26 114.44 3kea n ASN 170 Ca 0.24 -2.00 -0.03 0.00 -0.03 0.00 0.00 54.58 52.75 3kea n ASN 170 Cb 0.69 -0.30 -0.00 0.00 -0.61 0.00 0.00 39.78 39.57 3kea n ASN 170 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kea n GLY 171 N 0.80 0.28 3.41 7.41 0.00 -0.67 -4.96 105.19 111.45 3kea n GLY 171 Ca 0.15 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 3kea n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kea s HIS 172 N -2.23 3.62 0.19 1.61 3.76 -0.83 -4.88 115.29 116.52 3kea s HIS 172 Ca 0.01 -2.03 -0.02 0.00 -0.15 0.00 0.00 55.06 52.86 3kea s HIS 172 Cb -0.00 -4.10 0.09 0.00 1.11 0.00 0.00 32.58 29.68 3kea s HIS 172 CO 0.01 -1.24 1.47 -0.39 -0.85 0.00 0.00 174.74 173.74 3kea h VAL 173 N 4.78 1.35 -0.18 -0.90 -1.51 -1.93 -3.44 116.25 114.42 3kea h VAL 173 Ca 0.20 -1.95 -0.36 0.00 -1.23 0.00 0.00 66.70 63.36 3kea h VAL 173 Cb 0.95 1.94 0.02 0.00 -2.13 0.00 0.00 31.29 32.07 3kea h VAL 173 CO 1.06 0.60 1.11 0.47 -1.23 0.00 0.00 177.57 179.58 3kea n ASP 174 N -3.90 2.13 0.00 4.19 8.00 -1.26 -4.70 116.55 121.00 3kea n ASP 174 Ca -0.04 -2.61 0.00 0.00 0.71 0.00 0.00 54.79 52.86 3kea n ASP 174 Cb 0.65 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 3kea n ASP 174 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3kea n ILE 177 N 7.62 0.00 -0.06 0.53 5.41 -1.26 -4.75 119.36 126.84 3kea n ILE 177 Ca 0.45 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 64.12 3kea n ILE 177 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.36 3kea n ILE 177 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3kea h LEU 178 N 0.00 0.16 -0.73 1.39 3.38 -1.97 0.88 115.31 118.41 3kea h LEU 178 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3kea h LEU 178 Cb 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3kea h LEU 178 CO 0.00 0.13 0.14 -0.07 0.09 0.00 0.00 178.44 178.72 3kea h LEU 179 N 0.24 1.05 -0.75 1.67 3.38 -1.96 -1.96 115.31 116.97 3kea h LEU 179 Ca 0.10 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3kea h LEU 179 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3kea h LEU 179 CO -0.08 1.02 -0.22 -0.07 0.09 0.00 0.00 178.44 179.18 3kea h LEU 180 N 1.04 0.73 -0.73 1.67 3.38 -1.94 -2.99 115.31 116.47 3kea h LEU 180 Ca 0.21 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3kea h LEU 180 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kea h LEU 180 CO 0.01 0.93 -0.16 0.44 0.09 0.00 0.00 178.44 179.75 3kea h ASP 181 N 0.63 0.81 0.00 -0.43 3.32 -0.67 -1.43 116.42 118.65 3kea h ASP 181 Ca 0.09 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3kea h ASP 181 Cb 0.71 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3kea h ASP 181 CO 0.05 0.97 0.00 0.00 -1.72 0.00 0.00 179.24 178.54 3kea n TYR 182 N -4.14 0.00 0.00 4.55 9.36 -0.75 -1.60 117.16 124.58 3kea n TYR 182 Ca 0.01 -0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.12 3kea n TYR 182 Cb 0.40 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 3kea n TYR 182 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3kea n THR 184 N 0.58 0.00 0.24 2.97 -1.04 -0.54 -1.99 114.28 114.50 3kea n THR 184 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3kea n THR 184 Cb 0.15 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 68.96 3kea n THR 184 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3kea h SER 185 N 0.00 0.00 -0.32 8.00 4.64 -1.56 -2.89 113.55 121.41 3kea h SER 185 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kea h SER 185 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kea h SER 185 CO 0.00 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3kea n THR 186 N -3.08 2.24 -2.34 2.95 -2.24 -0.84 -4.86 114.28 106.11 3kea n THR 186 Ca 0.03 -1.72 -0.43 0.00 -2.27 0.00 0.00 64.05 59.66 3kea n THR 186 Cb 0.47 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3kea n THR 186 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kea n ASN 187 N -0.22 4.65 0.12 3.42 5.15 -1.09 -4.75 115.26 122.54 3kea n ASN 187 Ca 0.22 -2.91 -0.01 0.00 -0.60 0.00 0.00 54.58 51.27 3kea n ASN 187 Cb 0.90 -1.69 0.11 0.00 -0.53 0.00 0.00 39.78 38.57 3kea n ASN 187 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3kea h THR 188 N 4.90 1.39 -0.33 -0.44 1.35 -1.89 -2.56 112.91 115.32 3kea h THR 188 Ca 0.47 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 3kea h THR 188 Cb 0.79 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3kea h THR 188 CO 1.58 0.66 0.00 -0.46 -0.25 0.00 0.00 175.52 177.05 3kea n ASN 189 N -3.60 2.31 -4.09 5.36 6.94 -1.26 -4.96 115.26 115.96 3kea n ASN 189 Ca -0.00 -1.89 -0.33 0.00 -0.02 0.00 0.00 54.58 52.34 3kea n ASN 189 Cb 0.69 -0.22 -0.01 0.00 -2.36 0.00 0.00 39.78 37.89 3kea n ASN 189 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3kea n ASN 190 N 0.75 -3.62 -5.00 0.53 3.02 -0.97 -4.98 115.26 104.99 3kea n ASN 190 Ca 0.16 -0.92 -0.19 0.00 -0.03 0.00 0.00 54.58 53.60 3kea n ASN 190 Cb 0.40 -3.21 0.04 0.00 -0.61 0.00 0.00 39.78 36.41 3kea n ASN 190 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kea s SER 191 N -3.39 5.30 0.53 6.41 1.04 -1.26 -5.06 113.70 117.27 3kea s SER 191 Ca 0.65 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 56.27 3kea s SER 191 Cb -0.35 -0.18 -0.05 0.00 0.10 0.00 0.00 66.02 65.55 3kea s SER 191 CO 0.89 -1.12 1.20 -0.76 0.98 0.00 0.00 173.24 174.43 3kea s LEU 192 N -4.56 3.82 -0.10 2.42 1.43 -1.26 -4.96 118.68 115.46 3kea s LEU 192 Ca 0.59 2.38 -0.30 0.00 -1.03 0.00 0.00 54.13 55.78 3kea s LEU 192 Cb -0.08 -4.43 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 3kea s LEU 192 CO 0.37 -1.31 1.04 -0.76 0.23 0.00 0.00 176.35 175.92 3kea s LEU 193 N -3.61 4.24 -0.57 1.79 1.43 0.24 -4.64 118.68 117.56 3kea s LEU 193 Ca 0.71 1.57 -0.28 0.00 -1.03 0.00 0.00 54.13 55.10 3kea s LEU 193 Cb -0.30 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.39 3kea s LEU 193 CO 0.35 -0.48 1.19 0.12 0.23 0.00 0.00 176.35 177.75 3kea s PHE 194 N 2.12 2.63 -0.36 0.29 5.36 -1.26 -0.12 117.98 126.64 3kea s PHE 194 Ca 0.49 0.44 -0.09 0.00 -0.96 0.00 0.00 56.93 56.81 3kea s PHE 194 Cb -0.19 -4.51 0.03 0.00 -0.34 0.00 0.00 43.02 38.01 3kea s PHE 194 CO 0.18 -1.56 0.16 0.42 -1.46 0.00 0.00 175.22 172.96 3kea s ILE 195 N 4.90 4.20 0.07 3.12 1.09 -1.26 -5.01 121.20 128.31 3kea s ILE 195 Ca 0.43 -0.99 -0.37 0.00 -1.10 0.00 0.00 60.65 58.62 3kea s ILE 195 Cb -0.07 -3.36 -0.20 0.00 -1.06 0.00 0.00 42.46 37.77 3kea s ILE 195 CO 0.26 -0.21 1.57 1.55 -0.10 0.00 0.00 174.94 178.01 3kea h PRO 196 N 8.33 -1.20 -1.03 2.79 0.13 -1.94 -3.28 132.00 135.81 3kea h PRO 196 Ca -0.24 0.08 -0.28 0.00 -0.87 0.00 0.00 66.00 64.69 3kea h PRO 196 Cb 1.09 0.27 -0.16 0.00 0.13 0.00 0.00 31.00 32.33 3kea h PRO 196 CO 0.64 -0.80 0.36 -0.25 -0.23 0.00 0.00 178.00 177.72 3kea n ASP 197 N -5.64 3.59 -0.31 1.44 8.00 -1.26 -4.38 116.55 117.99 3kea n ASP 197 Ca -0.15 -2.87 0.11 0.00 0.71 0.00 0.00 54.79 52.59 3kea n ASP 197 Cb 0.51 -0.70 0.33 0.00 -0.02 0.00 0.00 41.12 41.24 3kea n ASP 197 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3kea h ILE 198 N 0.56 0.83 -0.96 0.53 2.10 -2.00 -0.04 117.51 118.52 3kea h ILE 198 Ca 0.34 -0.27 0.21 0.00 1.08 0.00 0.00 64.86 66.22 3kea h ILE 198 Cb 1.93 -0.02 -0.08 0.00 -1.09 0.00 0.00 36.82 37.56 3kea h ILE 198 CO 0.60 0.14 0.62 0.11 -1.08 0.00 0.00 178.15 178.55 3kea h LYS 199 N 0.78 0.51 -0.62 2.19 6.56 -1.90 -1.42 116.57 122.67 3kea h LYS 199 Ca 0.49 -0.03 -0.07 0.00 -1.06 0.00 0.00 60.65 59.98 3kea h LYS 199 Cb 0.71 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.23 3kea h LYS 199 CO -0.26 0.34 0.13 -0.07 -2.06 0.00 0.00 179.45 177.53 3kea h LEU 200 N 0.52 0.97 -0.38 2.94 3.38 -1.35 -1.64 115.31 119.75 3kea h LEU 200 Ca 0.53 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 58.09 3kea h LEU 200 Cb 1.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3kea h LEU 200 CO -0.26 0.96 -0.43 0.00 0.09 0.00 0.00 178.44 178.80 3kea h ALA 201 N 1.04 0.56 0.02 1.53 0.00 -1.16 -2.22 119.26 119.03 3kea h ALA 201 Ca 0.19 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3kea h ALA 201 Cb 0.39 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kea h ALA 201 CO 0.01 0.68 -0.21 0.82 0.00 0.00 0.00 179.25 180.54 3kea h ILE 202 N 0.73 0.50 -0.72 0.00 1.08 -1.37 0.45 117.51 118.18 3kea h ILE 202 Ca 0.05 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3kea h ILE 202 Cb 1.02 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 3kea h ILE 202 CO 0.10 0.00 0.48 0.44 -0.69 0.00 0.00 178.15 178.48 3kea h ASP 203 N -0.36 0.82 1.74 1.72 3.32 -1.21 -1.57 116.42 120.89 3kea h ASP 203 Ca 0.05 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3kea h ASP 203 Cb 0.42 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3kea h ASP 203 CO -0.18 0.59 -0.26 0.78 -1.72 0.00 0.00 179.24 178.45 3kea h ASN 204 N 0.97 0.00 -6.29 6.45 2.35 -1.31 -3.48 115.58 114.27 3kea h ASN 204 Ca 0.27 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.58 3kea h ASN 204 Cb -0.09 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.36 3kea h ASN 204 CO -0.06 0.09 -0.93 1.17 -1.65 0.00 0.00 177.43 176.05 3kea n LYS 205 N -3.05 -1.13 -3.12 0.81 4.81 0.14 -4.92 118.16 111.71 3kea n LYS 205 Ca 0.03 0.46 -0.44 0.00 -0.87 0.00 0.00 58.31 57.48 3kea n LYS 205 Cb 0.57 -3.95 -0.05 0.00 0.02 0.00 0.00 35.03 31.62 3kea n LYS 205 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3kea s ASP 206 N -3.44 6.21 0.18 3.14 3.68 -1.21 -4.96 116.67 120.28 3kea s ASP 206 Ca 0.45 -1.06 -0.12 0.00 2.13 0.00 0.00 52.55 53.95 3kea s ASP 206 Cb -0.17 -2.31 0.09 0.00 -1.45 0.00 0.00 42.92 39.08 3kea s ASP 206 CO 0.87 -1.00 1.76 0.40 0.13 0.00 0.00 175.17 177.33 3kea h ILE 207 N 5.89 1.22 0.00 4.11 1.08 -1.92 -0.78 117.51 127.12 3kea h ILE 207 Ca -0.28 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3kea h ILE 207 Cb 1.09 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 3kea h ILE 207 CO 1.02 0.25 0.00 1.21 -0.69 0.00 0.00 178.15 179.94 3kea n GLU 208 N -4.50 0.24 0.00 2.37 2.13 -1.26 -1.01 120.64 118.60 3kea n GLU 208 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3kea n GLU 208 Cb 0.13 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.61 3kea n GLU 208 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kea n LEU 210 N 0.59 0.00 -0.36 4.31 4.77 -0.30 -1.72 117.00 124.29 3kea n LEU 210 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kea n LEU 210 Cb 0.08 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 3kea n LEU 210 CO 0.00 0.00 1.28 1.56 -1.33 0.00 0.00 177.39 178.90 3kea h GLN 211 N 0.00 1.21 -0.20 3.23 4.20 -1.32 -1.12 115.11 121.10 3kea h GLN 211 Ca 0.00 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 3kea h GLN 211 Cb 0.00 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.50 3kea h GLN 211 CO 0.00 0.80 -0.14 0.00 -0.67 0.00 0.00 178.83 178.82 3kea h ALA 212 N 1.43 0.29 -0.55 3.87 0.00 -1.58 -3.08 119.26 119.63 3kea h ALA 212 Ca 0.39 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3kea h ALA 212 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 3kea h ALA 212 CO -0.12 0.16 0.17 -0.07 0.00 0.00 0.00 179.25 179.39 3kea h LEU 213 N 0.14 0.13 0.00 0.00 3.38 -1.76 -2.95 115.31 114.25 3kea h LEU 213 Ca 0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kea h LEU 213 Cb 0.65 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3kea h LEU 213 CO 0.04 0.09 0.00 0.49 0.09 0.00 0.00 178.44 179.15 3kea n PHE 214 N -5.05 0.00 0.45 1.13 3.72 -0.45 -1.98 117.46 115.29 3kea n PHE 214 Ca 0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 3kea n PHE 214 Cb 0.25 -0.13 0.39 0.00 -0.94 0.00 0.00 39.48 39.05 3kea n PHE 214 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3kea h LYS 215 N 0.00 0.00 -6.18 -1.08 1.57 -1.43 -3.46 116.57 105.98 3kea h LYS 215 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3kea h LYS 215 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3kea h LYS 215 CO 0.00 0.00 -0.49 0.71 -0.57 0.00 0.00 179.45 179.10 3kea s TYR 216 N -3.22 2.92 -1.48 -1.35 2.02 -0.84 -5.02 117.35 110.39 3kea s TYR 216 Ca 0.08 -0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.39 3kea s TYR 216 Cb 0.10 -1.65 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3kea s TYR 216 CO 0.57 0.31 2.34 -0.25 -1.57 0.00 0.00 175.55 176.95 3kea n ASP 217 N -1.27 4.87 -4.83 2.29 8.00 -1.26 -4.94 116.55 119.41 3kea n ASP 217 Ca -0.04 -2.82 -0.34 0.00 0.71 0.00 0.00 54.79 52.31 3kea n ASP 217 Cb 0.59 -1.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 3kea n ASP 217 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kea s ILE 218 N 2.77 4.52 -0.77 0.53 -4.36 -1.26 -0.60 121.20 122.03 3kea s ILE 218 Ca 0.51 1.26 -0.26 0.00 -0.26 0.00 0.00 60.65 61.90 3kea s ILE 218 Cb 0.14 -3.69 0.02 0.00 1.25 0.00 0.00 42.46 40.19 3kea s ILE 218 CO -0.08 -0.13 1.41 0.21 0.24 0.00 0.00 174.94 176.59 3kea s ASN 219 N -2.08 6.05 0.00 4.36 3.84 0.84 -4.66 114.94 123.28 3kea s ASN 219 Ca 0.55 -0.49 0.30 0.00 0.21 0.00 0.00 52.86 53.43 3kea s ASN 219 Cb -0.12 -2.56 1.50 0.00 -0.55 0.00 0.00 41.25 39.53 3kea s ASN 219 CO 0.17 -1.90 2.00 2.30 -2.79 0.00 0.00 177.10 176.88 3kea n ILE 220 N 6.63 0.00 -0.11 -5.21 -5.35 -1.26 -4.19 119.36 109.86 3kea n ILE 220 Ca 0.11 -0.10 -0.13 0.00 -0.27 0.00 0.00 62.75 62.36 3kea n ILE 220 Cb 0.50 -0.08 -0.14 0.00 -1.74 0.00 0.00 39.64 38.18 3kea n ILE 220 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3kea n TYR 221 N -0.57 0.00 -0.18 4.28 4.01 -1.26 -4.29 117.16 119.15 3kea n TYR 221 Ca 0.21 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.84 3kea n TYR 221 Cb 0.22 -0.96 0.11 0.00 -0.31 0.00 0.00 39.34 38.40 3kea n TYR 221 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kea n SER 222 N -2.97 3.42 -0.04 7.72 3.41 -1.26 -3.54 113.62 120.36 3kea n SER 222 Ca -0.38 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 3kea n SER 222 Cb 1.06 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 64.34 3kea n SER 222 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kea n ALA 223 N -0.32 2.35 -3.81 7.33 0.00 -1.26 -5.01 120.51 119.80 3kea n ALA 223 Ca 0.31 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.77 3kea n ALA 223 Cb 1.10 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 20.53 3kea n ALA 223 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kea n ASN 224 N -0.09 -4.95 -0.21 0.00 4.13 -1.23 -4.87 115.26 108.05 3kea n ASN 224 Ca 0.01 -1.02 0.12 0.00 1.68 0.00 0.00 54.58 55.37 3kea n ASN 224 Cb 0.10 -2.26 0.25 0.00 -1.54 0.00 0.00 39.78 36.33 3kea n ASN 224 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kea n LEU 225 N -3.63 1.05 0.23 3.41 4.77 -1.26 -3.65 117.00 117.92 3kea n LEU 225 Ca -0.19 -0.29 0.12 0.00 -0.03 0.00 0.00 56.01 55.62 3kea n LEU 225 Cb 0.62 -0.12 0.42 0.00 -2.33 0.00 0.00 43.42 42.00 3kea n LEU 225 CO 0.67 0.21 0.82 1.05 -1.33 0.00 0.00 177.39 178.81 3kea h GLU 226 N 1.01 0.00 0.00 3.23 9.09 -1.89 -2.63 114.58 123.39 3kea h GLU 226 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3kea h GLU 226 Cb 0.54 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3kea h GLU 226 CO 0.00 0.15 -0.04 -0.91 0.05 0.00 0.00 179.01 178.26 3kea h ASN 227 N 0.00 0.00 -0.08 3.06 2.35 -1.95 -3.14 115.58 115.82 3kea h ASN 227 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kea h ASN 227 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3kea h ASN 227 CO 0.02 0.04 0.00 1.33 -1.65 0.00 0.00 177.43 177.17 3kea n VAL 228 N -3.18 0.08 0.31 2.81 0.24 -0.99 -4.46 118.33 113.14 3kea n VAL 228 Ca -0.00 -0.54 0.16 0.00 -2.04 0.00 0.00 64.34 61.92 3kea n VAL 228 Cb 0.29 1.35 0.69 0.00 -1.47 0.00 0.00 33.84 34.71 3kea n VAL 228 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kea h LEU 229 N 4.02 0.00 -2.80 1.34 3.38 -1.59 -1.79 115.31 117.88 3kea h LEU 229 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kea h LEU 229 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kea h LEU 229 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 3kea n LEU 230 N -2.80 3.49 -0.02 1.67 4.77 -1.26 -4.69 117.00 118.17 3kea n LEU 230 Ca 0.00 -1.99 -0.01 0.00 -0.03 0.00 0.00 56.01 53.99 3kea n LEU 230 Cb 0.24 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3kea n LEU 230 CO 0.23 0.87 -0.08 0.44 -1.33 0.00 0.00 177.39 177.52 3kea h ASP 231 N 3.29 0.00 -3.27 -1.43 3.32 -1.60 -3.48 116.42 113.25 3kea h ASP 231 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3kea h ASP 231 Cb 0.87 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.07 3kea h ASP 231 CO 0.00 0.19 -0.82 -0.62 -1.72 0.00 0.00 179.24 176.27 3kea s ASP 232 N -4.04 2.22 0.13 6.45 2.15 -1.25 -5.05 116.67 117.28 3kea s ASP 232 Ca -0.03 -0.37 -0.06 0.00 0.43 0.00 0.00 52.55 52.51 3kea s ASP 232 Cb 0.00 -0.97 -0.08 0.00 -0.30 0.00 0.00 42.92 41.58 3kea s ASP 232 CO 0.05 -0.02 1.33 0.00 -0.17 0.00 0.00 175.17 176.36 3kea h ALA 233 N 7.55 0.39 -0.70 3.66 0.00 -1.92 0.02 119.26 128.26 3kea h ALA 233 Ca -0.31 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 53.97 3kea h ALA 233 Cb 1.16 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3kea h ALA 233 CO 0.47 0.75 0.45 1.49 0.00 0.00 0.00 179.25 182.41 3kea h GLU 234 N 0.33 0.86 -0.04 0.00 4.81 -1.99 -0.12 114.58 118.44 3kea h GLU 234 Ca -0.07 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 3kea h GLU 234 Cb 1.48 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 30.68 3kea h GLU 234 CO 0.16 0.57 -0.82 0.82 -0.73 0.00 0.00 179.01 179.01 3kea h ILE 235 N 0.89 1.33 -0.81 2.32 2.04 -1.93 -3.19 117.51 118.16 3kea h ILE 235 Ca 0.27 -2.10 0.09 0.00 1.00 0.00 0.00 64.86 64.13 3kea h ILE 235 Cb -0.02 2.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.34 3kea h ILE 235 CO -0.09 0.64 0.45 0.00 0.00 0.00 0.00 178.15 179.15 3kea h ALA 236 N 0.41 1.15 0.00 1.87 0.00 -0.86 -2.19 119.26 119.64 3kea h ALA 236 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kea h ALA 236 Cb 1.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kea h ALA 236 CO 0.16 0.08 0.00 1.17 0.00 0.00 0.00 179.25 180.66 3kea n LYS 237 N -4.76 0.05 0.00 0.00 4.81 -0.07 -1.48 118.16 116.71 3kea n LYS 237 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3kea n LYS 237 Cb 0.28 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3kea n LYS 237 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3kea n ILE 239 N 0.95 0.00 -0.12 3.15 5.41 -0.83 -1.49 119.36 126.44 3kea n ILE 239 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3kea n ILE 239 Cb 0.02 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.94 3kea n ILE 239 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3kea h ILE 240 N 0.00 1.18 -0.90 1.39 2.04 -1.54 0.09 117.51 119.78 3kea h ILE 240 Ca 0.00 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3kea h ILE 240 Cb 0.00 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3kea h ILE 240 CO 0.00 0.20 0.58 -0.08 0.00 0.00 0.00 178.15 178.85 3kea h GLU 241 N 0.42 0.89 0.12 2.37 4.81 -1.52 0.17 114.58 121.85 3kea h GLU 241 Ca 0.12 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kea h GLU 241 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kea h GLU 241 CO -0.01 0.59 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.58 3kea h LYS 242 N 0.92 -0.16 -0.39 1.92 1.63 -1.69 -2.39 116.57 116.42 3kea h LYS 242 Ca 0.41 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.30 3kea h LYS 242 Cb 0.37 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.96 3kea h LYS 242 CO -0.17 0.26 -0.08 1.25 -3.45 0.00 0.00 179.45 177.26 3kea h HIS 243 N -0.63 -0.17 -0.46 1.91 2.76 -0.74 0.51 115.15 118.33 3kea h HIS 243 Ca -0.02 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 3kea h HIS 243 Cb 0.49 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.54 3kea h HIS 243 CO 0.07 -0.15 0.20 0.28 -1.30 0.00 0.00 177.93 177.03 3kea h VAL 244 N 0.02 0.91 -0.59 5.26 2.07 -0.72 -2.02 116.25 121.18 3kea h VAL 244 Ca 0.19 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3kea h VAL 244 Cb 0.28 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3kea h VAL 244 CO -0.38 0.07 0.30 -0.33 0.02 0.00 0.00 177.57 177.25 3kea h GLU 245 N 0.39 0.55 0.00 1.57 5.08 -0.81 -2.30 114.58 119.07 3kea h GLU 245 Ca 0.21 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3kea h GLU 245 Cb 0.17 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kea h GLU 245 CO -0.18 0.36 -0.15 1.88 -1.00 0.00 0.00 179.01 179.92 3kea h TYR 246 N 0.56 0.00 0.00 4.33 0.05 -0.24 -1.43 116.97 120.24 3kea h TYR 246 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 3kea h TYR 246 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3kea h TYR 246 CO -0.10 0.15 0.00 1.63 -1.05 0.00 0.00 178.16 178.79 3kea n LYS 247 N -4.01 0.19 0.00 4.88 5.02 -0.85 -2.45 118.16 120.94 3kea n LYS 247 Ca -0.02 0.17 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 3kea n LYS 247 Cb 0.23 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 3kea n LYS 247 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kea n SER 248 N -2.07 0.83 -4.68 4.39 3.41 -0.81 -4.78 113.62 109.91 3kea n SER 248 Ca 0.06 -0.92 -0.41 0.00 -0.26 0.00 0.00 58.87 57.35 3kea n SER 248 Cb 0.40 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 3kea n SER 248 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kea s ASP 249 N -1.20 6.94 0.54 4.04 -1.08 -0.60 -4.93 116.67 120.37 3kea s ASP 249 Ca 0.05 1.14 0.27 0.00 -0.52 0.00 0.00 52.55 53.48 3kea s ASP 249 Cb 0.05 -2.43 1.54 0.00 -1.46 0.00 0.00 42.92 40.62 3kea s ASP 249 CO 0.19 -0.28 2.13 0.77 0.52 0.00 0.00 175.17 178.51 3kea h SER 250 N 7.15 0.00 0.43 -0.34 4.64 -1.91 0.75 113.55 124.27 3kea h SER 250 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3kea h SER 250 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kea h SER 250 CO 0.80 0.08 -0.07 0.22 -0.87 0.00 0.00 176.83 176.98 3kea h TYR 251 N 0.00 0.00 0.00 4.77 3.20 -1.93 -3.37 116.97 119.64 3kea h TYR 251 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3kea h TYR 251 Cb 0.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3kea h TYR 251 CO 0.00 0.07 -0.43 0.25 -1.64 0.00 0.00 178.16 176.41 3kea n THR 252 N -3.42 0.00 0.26 1.81 -2.24 -0.17 -4.86 114.28 105.65 3kea n THR 252 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 3kea n THR 252 Cb 0.22 0.02 0.71 0.00 -2.10 0.00 0.00 70.33 69.18 3kea n THR 252 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3kea h LYS 253 N 0.00 0.00 -0.48 -0.78 2.10 0.76 -1.80 116.57 116.37 3kea h LYS 253 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kea h LYS 253 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3kea h LYS 253 CO 0.00 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 3kea n ASP 254 N -3.76 3.40 -4.77 7.07 8.00 -1.26 -4.56 116.55 120.67 3kea n ASP 254 Ca -0.02 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.12 3kea n ASP 254 Cb 0.23 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 3kea n ASP 254 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kea s LEU 255 N -1.13 4.35 0.31 0.64 1.43 -0.68 -4.91 118.68 118.69 3kea s LEU 255 Ca 0.37 2.55 0.02 0.00 -1.03 0.00 0.00 54.13 56.04 3kea s LEU 255 Cb 0.20 -3.78 0.59 0.00 0.03 0.00 0.00 46.19 43.24 3kea s LEU 255 CO 0.27 -0.57 1.90 -0.78 0.23 0.00 0.00 176.35 177.39 3kea h ASP 256 N 3.15 0.86 -0.03 2.29 1.82 -1.93 -0.37 116.42 122.20 3kea h ASP 256 Ca -0.49 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.12 3kea h ASP 256 Cb 1.23 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.07 3kea h ASP 256 CO 0.64 0.52 -0.11 -0.29 -1.61 0.00 0.00 179.24 178.39 3kea h ILE 257 N 0.95 1.19 0.11 2.25 6.09 -1.92 -1.53 117.51 124.65 3kea h ILE 257 Ca 0.41 -0.82 -0.25 0.00 -1.37 0.00 0.00 64.86 62.83 3kea h ILE 257 Cb 0.33 1.16 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 3kea h ILE 257 CO -0.17 0.26 -1.28 0.58 -3.07 0.00 0.00 178.15 174.47 3kea h VAL 258 N 0.30 1.12 -0.16 2.19 2.07 -1.66 -3.31 116.25 116.80 3kea h VAL 258 Ca 0.06 -2.41 0.03 0.00 0.82 0.00 0.00 66.70 65.20 3kea h VAL 258 Cb 0.38 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3kea h VAL 258 CO 0.02 0.69 0.00 0.11 0.02 0.00 0.00 177.57 178.41 3kea h LYS 259 N -0.36 0.06 -2.18 1.57 1.79 -1.04 -3.24 116.57 113.16 3kea h LYS 259 Ca -0.27 -0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.52 3kea h LYS 259 Cb 1.70 -0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 31.97 3kea h LYS 259 CO 0.06 0.04 -0.02 0.09 -1.08 0.00 0.00 179.45 178.53 3kea n ASN 260 N -5.12 5.59 -4.87 0.86 5.03 -0.58 -5.02 115.26 111.16 3kea n ASN 260 Ca -0.03 -3.70 -0.31 0.00 0.87 0.00 0.00 54.58 51.41 3kea n ASN 260 Cb 0.09 -0.77 -0.04 0.00 -1.02 0.00 0.00 39.78 38.04 3kea n ASN 260 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kea s ASN 261 N -2.68 6.58 0.00 6.41 2.20 -1.23 -4.91 114.94 121.32 3kea s ASN 261 Ca 0.46 1.17 0.20 0.00 -0.94 0.00 0.00 52.86 53.75 3kea s ASN 261 Cb 0.27 -2.34 0.54 0.00 -2.00 0.00 0.00 41.25 37.73 3kea s ASN 261 CO -0.16 -0.36 1.45 0.29 -2.94 0.00 0.00 177.10 175.39 3kea n LYS 262 N -1.09 2.40 -0.03 3.55 5.02 -1.26 -4.40 118.16 122.35 3kea n LYS 262 Ca 0.03 -2.17 -0.10 0.00 -2.02 0.00 0.00 58.31 54.05 3kea n LYS 262 Cb 0.54 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 3kea n LYS 262 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kea h LEU 263 N 3.71 -0.05 -1.64 -0.35 4.07 -1.97 -3.34 115.31 115.73 3kea h LEU 263 Ca 0.00 -0.60 0.30 0.00 0.08 0.00 0.00 57.88 57.66 3kea h LEU 263 Cb 0.84 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.52 3kea h LEU 263 CO 0.00 0.70 0.75 0.44 -1.08 0.00 0.00 178.44 179.25 3kea h ASP 264 N -0.92 0.24 -0.27 -0.43 3.32 -1.98 0.99 116.42 117.37 3kea h ASP 264 Ca -0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kea h ASP 264 Cb 0.65 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3kea h ASP 264 CO 0.01 0.04 0.12 -0.08 -1.72 0.00 0.00 179.24 177.61 3kea h GLU 265 N 0.21 0.38 -0.01 3.56 4.57 -1.83 -2.19 114.58 119.28 3kea h GLU 265 Ca 0.58 -0.06 -0.22 0.00 -1.18 0.00 0.00 59.36 58.49 3kea h GLU 265 Cb 1.86 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.38 3kea h GLU 265 CO -0.18 0.38 -0.91 0.82 -1.18 0.00 0.00 179.01 177.95 3kea h ILE 266 N 0.29 1.42 -0.70 2.32 2.04 -0.98 -3.06 117.51 118.84 3kea h ILE 266 Ca 0.09 -2.45 -0.03 0.00 1.00 0.00 0.00 64.86 63.47 3kea h ILE 266 Cb 0.13 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 3kea h ILE 266 CO -0.01 0.73 0.33 0.40 0.00 0.00 0.00 178.15 179.60 3kea h ILE 267 N 0.21 1.23 -0.16 -0.67 2.04 -1.21 -3.09 117.51 115.87 3kea h ILE 267 Ca -0.07 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 3kea h ILE 267 Cb 1.54 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3kea h ILE 267 CO 0.15 0.28 -0.41 0.28 0.00 0.00 0.00 178.15 178.45 3kea h SER 268 N 0.98 0.38 1.49 1.72 0.02 -1.39 -3.11 113.55 113.64 3kea h SER 268 Ca 0.24 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kea h SER 268 Cb 0.13 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3kea h SER 268 CO -0.03 0.75 0.00 0.11 -1.14 0.00 0.00 176.83 176.53 3kea h LYS 269 N 0.30 0.00 -6.63 3.45 1.79 -1.46 -3.46 116.57 110.57 3kea h LYS 269 Ca 0.03 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.81 3kea h LYS 269 Cb 0.85 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.28 3kea h LYS 269 CO 0.07 0.00 -0.82 -0.80 -1.08 0.00 0.00 179.45 176.82 3kea s ASN 270 N -5.45 3.72 -0.03 0.86 -0.87 -1.18 -5.06 114.94 106.93 3kea s ASN 270 Ca 0.06 -0.48 -0.14 0.00 -1.57 0.00 0.00 52.86 50.73 3kea s ASN 270 Cb 0.08 -0.55 -0.32 0.00 -0.02 0.00 0.00 41.25 40.44 3kea s ASN 270 CO 0.59 0.24 0.78 0.50 -2.57 0.00 0.00 177.10 176.64 3kea h LYS 271 N 4.41 0.44 -0.66 -0.60 3.11 -1.88 -2.44 116.57 118.95 3kea h LYS 271 Ca -0.48 -0.75 -0.01 0.00 -2.81 0.00 0.00 60.65 56.60 3kea h LYS 271 Cb 1.16 0.28 -0.03 0.00 -1.00 0.00 0.00 32.23 32.63 3kea h LYS 271 CO 0.46 1.36 0.37 1.49 -2.81 0.00 0.00 179.45 180.33 3kea h GLU 272 N 0.07 0.91 -0.36 1.90 4.57 -1.97 -2.12 114.58 117.58 3kea h GLU 272 Ca -0.31 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 57.74 3kea h GLU 272 Cb 2.09 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 30.48 3kea h GLU 272 CO 0.20 0.68 0.08 -0.07 -1.18 0.00 0.00 179.01 178.72 3kea h LEU 273 N 0.90 0.48 -0.18 1.64 3.38 -1.82 -2.48 115.31 117.23 3kea h LEU 273 Ca 0.23 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3kea h LEU 273 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kea h LEU 273 CO -0.04 0.49 0.02 0.03 0.09 0.00 0.00 178.44 179.04 3kea h ARG 274 N 0.52 0.30 0.00 1.13 3.08 -1.12 -0.58 114.38 117.70 3kea h ARG 274 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kea h ARG 274 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3kea h ARG 274 CO -0.00 0.48 0.00 -0.11 -1.07 0.00 0.00 179.97 179.26 3kea n LEU 275 N -4.76 0.00 0.00 3.04 7.94 -0.83 -1.88 117.00 120.52 3kea n LEU 275 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3kea n LEU 275 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.14 3kea n LEU 275 CO 0.36 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.64 3kea n TYR 277 N 0.16 0.00 0.28 1.96 9.36 -0.23 -2.15 117.16 126.54 3kea n TYR 277 Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 3kea n TYR 277 Cb 0.00 0.00 0.82 0.00 -0.63 0.00 0.00 39.34 39.53 3kea n TYR 277 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 3kea h VAL 278 N 0.00 0.26 0.00 2.97 3.04 -1.64 -0.75 116.25 120.12 3kea h VAL 278 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3kea h VAL 278 Cb 0.00 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3kea h VAL 278 CO 0.00 0.06 -0.09 0.78 -1.01 0.00 0.00 177.57 177.31 3kea h ASN 279 N 0.00 0.00 0.11 3.17 -0.26 -1.70 -3.12 115.58 113.78 3kea h ASN 279 Ca -0.00 -0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.50 3kea h ASN 279 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.61 3kea h ASN 279 CO 0.01 0.00 -0.91 0.00 -1.06 0.00 0.00 177.43 175.47 3kea h VAL 281 N 0.36 1.00 0.00 0.00 2.07 -1.38 -3.50 116.25 114.81 3kea h VAL 281 Ca -0.08 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kea h VAL 281 Cb 1.54 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3kea h VAL 281 CO 0.17 0.05 0.00 1.17 0.02 0.00 0.00 177.57 178.98