#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 -1.07 1.61 -0.08 -1.26 -4.89 116.55 110.86 3kea n ASP 2 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 3kea n ASP 2 Cb 0.00 0.00 0.22 0.00 2.34 0.00 0.00 41.12 43.68 3kea n ASP 2 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3kea n LEU 3 N 0.00 3.39 0.19 -2.67 4.77 -1.26 -4.61 117.00 116.81 3kea n LEU 3 Ca 0.00 -1.66 0.14 0.00 -0.03 0.00 0.00 56.01 54.45 3kea n LEU 3 Cb 0.00 -0.29 0.64 0.00 -2.33 0.00 0.00 43.42 41.44 3kea n LEU 3 CO 0.00 0.78 0.91 0.77 -1.33 0.00 0.00 177.39 178.51 3kea h SER 4 N 3.88 0.00 -0.26 -1.43 4.64 -1.96 -1.54 113.55 116.88 3kea h SER 4 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kea h SER 4 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3kea h SER 4 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3kea n ARG 5 N -2.48 2.45 0.19 4.77 1.74 -1.26 -4.62 116.66 117.45 3kea n ARG 5 Ca 0.00 -2.17 0.17 0.00 -0.77 0.00 0.00 57.85 55.08 3kea n ARG 5 Cb 0.16 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 30.79 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 4.58 0.15 0.00 0.55 2.10 -1.62 0.26 117.51 123.53 3kea h ILE 6 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kea h ILE 6 Cb 1.00 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 3kea h ILE 6 CO 0.00 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.66 3kea n ASN 7 N -3.23 0.13 0.05 2.19 3.02 -1.26 -2.26 115.26 113.90 3kea n ASN 7 Ca 0.04 0.51 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 3kea n ASN 7 Cb 0.64 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.62 0.32 -1.27 3.41 -2.24 0.91 -5.01 114.28 108.78 3kea n THR 8 Ca 0.06 -0.46 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 3kea n THR 8 Cb 0.33 -0.10 0.11 0.00 -2.10 0.00 0.00 70.33 68.56 3kea n THR 8 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3kea n TRP 9 N -2.37 1.27 -3.41 4.78 7.02 -0.96 -5.03 117.44 118.73 3kea n TRP 9 Ca -0.01 0.40 -0.22 0.00 -1.02 0.00 0.00 57.50 56.66 3kea n TRP 9 Cb 0.53 -2.13 0.01 0.00 -2.42 0.00 0.00 31.31 27.30 3kea n TRP 9 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3kea s LYS 10 N -3.82 2.40 0.39 -0.99 2.47 -1.26 -4.91 119.74 114.02 3kea s LYS 10 Ca 0.75 -1.69 0.14 0.00 -1.56 0.00 0.00 55.97 53.60 3kea s LYS 10 Cb -0.32 -2.43 0.81 0.00 -1.46 0.00 0.00 37.83 34.43 3kea s LYS 10 CO 0.49 -0.57 1.87 0.77 0.16 0.00 0.00 175.35 178.07 3kea h SER 11 N 0.59 0.00 -0.06 1.43 0.02 -1.97 0.09 113.55 113.65 3kea h SER 11 Ca -0.36 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 3kea h SER 11 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3kea h SER 11 CO 0.50 0.32 -0.14 0.50 -1.14 0.00 0.00 176.83 176.87 3kea h LYS 12 N 0.00 0.20 -0.68 3.45 3.64 -1.98 1.04 116.57 122.25 3kea h LYS 12 Ca -0.00 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3kea h LYS 12 Cb 0.57 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3kea h LYS 12 CO 0.04 0.73 0.15 0.37 -2.27 0.00 0.00 179.45 178.47 3kea h GLN 13 N -0.29 1.10 0.03 1.90 4.15 -1.81 -1.66 115.11 118.52 3kea h GLN 13 Ca 0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 3kea h GLN 13 Cb 0.72 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3kea h GLN 13 CO 0.03 0.98 -0.02 1.25 -1.93 0.00 0.00 178.83 179.15 3kea h LEU 14 N 1.03 -0.04 -1.28 -2.39 5.85 -0.77 -1.52 115.31 116.20 3kea h LEU 14 Ca 0.21 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3kea h LEU 14 Cb 0.39 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3kea h LEU 14 CO 0.01 0.25 0.52 0.50 -0.34 0.00 0.00 178.44 179.37 3kea h LYS 15 N -0.33 0.86 -0.18 1.25 3.64 0.12 0.15 116.57 122.09 3kea h LYS 15 Ca -0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3kea h LYS 15 Cb 0.30 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3kea h LYS 15 CO 0.01 0.57 -0.06 1.03 -2.27 0.00 0.00 179.45 178.73 3kea h SER 16 N 0.89 0.36 -0.86 4.20 0.87 -1.24 -2.85 113.55 114.91 3kea h SER 16 Ca 0.33 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 3kea h SER 16 Cb 0.18 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3kea h SER 16 CO -0.11 0.66 0.44 0.15 -0.53 0.00 0.00 176.83 177.44 3kea h PHE 17 N 0.05 1.22 0.00 2.24 3.57 -0.58 -2.40 116.94 121.04 3kea h PHE 17 Ca 0.04 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kea h PHE 17 Cb 0.51 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3kea h PHE 17 CO 0.06 0.86 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.84 3kea h LEU 18 N 1.22 0.00 -0.08 0.59 3.38 -1.00 -1.73 115.31 117.69 3kea h LEU 18 Ca 0.30 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 3kea h LEU 18 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kea h LEU 18 CO -0.04 0.08 -0.52 0.28 0.09 0.00 0.00 178.44 178.33 3kea h SER 19 N 0.00 0.00 -3.78 -0.43 0.02 -1.20 -3.46 113.55 104.70 3kea h SER 19 Ca -0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 3kea h SER 19 Cb 0.45 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.16 3kea h SER 19 CO 0.01 0.52 0.17 -0.94 -1.14 0.00 0.00 176.83 175.44 3kea s SER 20 N -6.47 2.35 0.00 3.07 1.04 -0.65 -4.92 113.70 108.12 3kea s SER 20 Ca 0.04 1.23 0.29 0.00 0.48 0.00 0.00 55.95 57.98 3kea s SER 20 Cb 0.08 -1.91 1.37 0.00 0.10 0.00 0.00 66.02 65.65 3kea s SER 20 CO 0.74 -3.31 1.97 2.29 0.98 0.00 0.00 173.24 175.91 3kea n LYS 21 N -4.30 0.27 -0.04 4.02 2.85 -1.26 -3.52 118.16 116.18 3kea n LYS 21 Ca 0.05 0.01 0.13 0.00 -1.05 0.00 0.00 58.31 57.45 3kea n LYS 21 Cb 0.57 -1.50 0.37 0.00 -0.65 0.00 0.00 35.03 33.82 3kea n LYS 21 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3kea n ASP 22 N -1.36 2.06 0.06 -5.58 8.00 -1.26 -4.61 116.55 113.86 3kea n ASP 22 Ca 0.11 -1.71 0.10 0.00 0.71 0.00 0.00 54.79 54.01 3kea n ASP 22 Cb 0.27 -0.05 0.56 0.00 -0.02 0.00 0.00 41.12 41.88 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 3.05 0.95 -0.07 -3.53 1.03 -1.71 -2.41 112.91 110.23 3kea h THR 23 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.32 3kea h THR 23 Cb 0.65 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.42 3kea h THR 23 CO 0.00 0.04 0.00 0.49 -0.01 0.00 0.00 175.52 176.04 3kea n PHE 24 N -4.48 0.18 -2.43 0.00 3.72 -1.26 -4.73 117.46 108.46 3kea n PHE 24 Ca 0.04 -0.81 -0.31 0.00 -0.05 0.00 0.00 57.45 56.32 3kea n PHE 24 Cb 0.25 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.22 3.78 0.30 -1.08 1.02 -0.91 -4.84 119.74 115.78 3kea s LYS 25 Ca 0.24 0.69 -0.23 0.00 0.02 0.00 0.00 55.97 56.69 3kea s LYS 25 Cb 0.20 -2.22 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 3kea s LYS 25 CO 0.04 -0.27 0.87 0.00 -0.92 0.00 0.00 175.35 175.07 3kea s ALA 26 N -2.69 3.27 0.84 5.17 0.00 -1.26 -4.39 121.76 122.70 3kea s ALA 26 Ca 0.55 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3kea s ALA 26 Cb -0.10 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3kea s ALA 26 CO 0.38 0.23 0.00 -0.40 0.00 0.00 0.00 175.76 175.96 3kea n ASP 27 N 0.51 0.00 0.27 0.00 5.68 -0.10 -4.80 116.55 118.11 3kea n ASP 27 Ca 0.01 -0.62 0.14 0.00 -0.50 0.00 0.00 54.79 53.82 3kea n ASP 27 Cb 0.51 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.24 3kea n ASP 27 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 3kea h VAL 28 N -0.52 0.40 -0.00 2.12 -1.51 -1.90 -1.13 116.25 113.71 3kea h VAL 28 Ca 0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 3kea h VAL 28 Cb 0.00 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 3kea h VAL 28 CO 0.00 0.09 -0.23 1.41 -1.23 0.00 0.00 177.57 177.62 3kea n HIS 29 N -3.46 0.00 -0.61 5.19 8.25 -1.26 -4.95 115.22 118.38 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 0.25 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 1.37 0.63 3.30 -1.41 0.00 -0.43 -5.08 105.19 103.56 3kea n GLY 30 Ca 0.11 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 2.10 0.76 1.61 3.76 -1.26 -4.71 115.29 115.54 3kea s HIS 31 Ca 0.00 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.44 3kea s HIS 31 Cb 0.00 -1.26 0.11 0.00 1.11 0.00 0.00 32.58 32.54 3kea s HIS 31 CO 0.00 0.11 1.07 -1.54 -0.85 0.00 0.00 174.74 173.52 3kea s SER 32 N -1.18 4.35 0.20 1.40 1.04 -1.26 -0.93 113.70 117.32 3kea s SER 32 Ca 0.10 0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 3kea s SER 32 Cb -0.09 -0.67 0.14 0.00 0.10 0.00 0.00 66.02 65.49 3kea s SER 32 CO 0.02 -1.89 1.85 0.00 0.98 0.00 0.00 173.24 174.19 3kea h ALA 33 N -0.79 0.91 -0.77 5.32 0.00 -1.85 -2.78 119.26 119.31 3kea h ALA 33 Ca -0.42 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.42 3kea h ALA 33 Cb 1.29 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3kea h ALA 33 CO 0.50 0.38 0.50 1.03 0.00 0.00 0.00 179.25 181.67 3kea h SER 34 N 0.98 0.86 -0.41 0.00 0.87 -1.94 -1.73 113.55 112.18 3kea h SER 34 Ca 0.26 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 3kea h SER 34 Cb -0.04 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 61.63 3kea h SER 34 CO -0.05 0.61 -0.12 0.22 -0.53 0.00 0.00 176.83 176.97 3kea h TYR 35 N 1.02 -0.26 -0.40 2.24 3.20 -1.88 0.13 116.97 121.02 3kea h TYR 35 Ca 0.29 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 3kea h TYR 35 Cb -0.08 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3kea h TYR 35 CO -0.02 -0.20 -0.24 1.88 -1.64 0.00 0.00 178.16 177.94 3kea h TYR 36 N -0.02 0.93 -0.43 -3.82 0.05 -1.32 -0.72 116.97 111.63 3kea h TYR 36 Ca 0.20 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 3kea h TYR 36 Cb 0.32 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3kea h TYR 36 CO -0.38 0.97 0.19 0.00 -1.05 0.00 0.00 178.16 177.89 3kea h ALA 37 N 1.02 0.56 -0.03 3.88 0.00 -1.06 -2.34 119.26 121.29 3kea h ALA 37 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kea h ALA 37 Cb 0.77 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3kea h ALA 37 CO 0.06 0.15 0.00 0.82 0.00 0.00 0.00 179.25 180.28 3kea h ILE 38 N 0.55 1.23 -0.91 0.00 2.04 -0.84 0.10 117.51 119.69 3kea h ILE 38 Ca 0.15 -0.71 0.16 0.00 1.00 0.00 0.00 64.86 65.45 3kea h ILE 38 Cb 0.16 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 3kea h ILE 38 CO -0.01 0.19 0.58 0.00 0.00 0.00 0.00 178.15 178.91 3kea h ALA 39 N 0.73 1.86 -0.00 1.87 0.00 -1.04 0.54 119.26 123.22 3kea h ALA 39 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kea h ALA 39 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kea h ALA 39 CO 0.00 -0.12 -0.01 -3.47 0.00 0.00 0.00 179.25 175.65 3kea n ASP 40 N -4.57 0.10 -3.98 0.00 2.03 -0.89 -4.92 116.55 104.32 3kea n ASP 40 Ca 0.18 -0.77 -0.32 0.00 0.52 0.00 0.00 54.79 54.40 3kea n ASP 40 Cb 0.51 -0.08 0.01 0.00 -0.72 0.00 0.00 41.12 40.83 3kea n ASP 40 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3kea n ASN 41 N -1.02 -4.34 -4.32 1.67 5.15 0.18 -4.90 115.26 107.68 3kea n ASN 41 Ca 0.21 -0.82 -0.44 0.00 -0.60 0.00 0.00 54.58 52.93 3kea n ASN 41 Cb 0.17 -3.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.93 3kea n ASN 41 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3kea n ASN 42 N -2.74 5.14 -0.12 1.20 4.05 0.34 -4.84 115.26 118.29 3kea n ASN 42 Ca 0.05 -3.00 -0.05 0.00 0.45 0.00 0.00 54.58 52.04 3kea n ASN 42 Cb 0.51 -1.57 0.03 0.00 1.23 0.00 0.00 39.78 39.99 3kea n ASN 42 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 3kea h VAL 43 N 4.49 0.71 -0.55 3.44 2.07 -1.91 0.86 116.25 125.37 3kea h VAL 43 Ca 0.35 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.85 3kea h VAL 43 Cb 0.81 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3kea h VAL 43 CO 1.37 0.02 0.34 -0.09 0.02 0.00 0.00 177.57 179.23 3kea h ARG 44 N 0.11 0.67 -0.34 1.57 9.65 -1.97 -1.45 114.38 122.62 3kea h ARG 44 Ca 0.19 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.93 3kea h ARG 44 Cb 0.27 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3kea h ARG 44 CO -0.32 0.44 -0.18 1.25 2.80 0.00 0.00 179.97 183.97 3kea h LEU 45 N 0.69 0.74 -0.57 3.80 5.85 -1.85 -2.26 115.31 121.71 3kea h LEU 45 Ca 0.21 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.63 3kea h LEU 45 Cb -0.02 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 40.70 3kea h LEU 45 CO -0.08 0.99 -0.07 0.58 -0.34 0.00 0.00 178.44 179.52 3kea h VAL 46 N 0.49 0.48 -0.59 1.05 2.07 -0.56 -0.44 116.25 118.76 3kea h VAL 46 Ca 0.07 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 3kea h VAL 46 Cb 0.72 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3kea h VAL 46 CO 0.05 0.01 0.23 0.00 0.02 0.00 0.00 177.57 177.88 3kea h THR 48 N 0.82 1.00 -0.65 0.00 2.02 -0.98 0.11 112.91 115.22 3kea h THR 48 Ca 0.20 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3kea h THR 48 Cb 0.22 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3kea h THR 48 CO -0.01 0.12 0.22 -0.07 0.37 0.00 0.00 175.52 176.14 3kea h LEU 49 N 0.64 0.93 -0.37 2.58 3.38 -0.56 -2.05 115.31 119.87 3kea h LEU 49 Ca 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kea h LEU 49 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kea h LEU 49 CO -0.15 0.88 0.23 -0.07 0.09 0.00 0.00 178.44 179.43 3kea h LEU 50 N 0.93 0.44 -1.89 1.67 3.38 -0.32 -1.64 115.31 117.88 3kea h LEU 50 Ca 0.21 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3kea h LEU 50 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kea h LEU 50 CO -0.01 0.35 0.21 0.78 0.09 0.00 0.00 178.44 179.86 3kea h ASN 51 N 0.49 0.12 0.32 -0.43 2.35 -0.59 -0.64 115.58 117.20 3kea h ASN 51 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3kea h ASN 51 Cb -0.02 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3kea h ASN 51 CO -0.03 0.08 -0.09 0.00 -1.65 0.00 0.00 177.43 175.74 3kea n ALA 52 N -2.56 2.73 0.00 -0.83 0.00 -0.79 -4.92 120.51 114.14 3kea n ALA 52 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3kea n ALA 52 Cb 0.28 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.25 1.33 0.37 0.00 0.00 -0.25 -5.02 105.19 102.87 3kea n GLY 53 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 1.77 0.00 4.61 0.00 -1.41 -2.73 119.26 121.51 3kea h ALA 54 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kea h ALA 54 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kea h ALA 54 CO 0.00 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3kea n LEU 55 N -4.56 0.00 -0.50 0.00 4.77 -1.26 -2.52 117.00 112.92 3kea n LEU 55 Ca 0.17 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 3kea n LEU 55 Cb 0.43 -0.49 0.13 0.00 -2.33 0.00 0.00 43.42 41.15 3kea n LEU 55 CO 0.30 -0.06 0.46 0.29 -1.33 0.00 0.00 177.39 177.04 3kea n LYS 56 N -1.49 1.30 -1.17 3.23 5.02 -1.03 -4.26 118.16 119.75 3kea n LYS 56 Ca 0.06 -1.00 0.01 0.00 -2.02 0.00 0.00 58.31 55.36 3kea n LYS 56 Cb 0.29 -1.48 0.13 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.03 2.00 -4.75 4.39 3.02 -1.05 -5.07 115.26 113.83 3kea n ASN 57 Ca 0.11 -3.31 -0.41 0.00 -0.03 0.00 0.00 54.58 50.95 3kea n ASN 57 Cb 0.45 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 3kea n ASN 57 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kea s LEU 58 N -2.55 4.47 0.71 3.41 1.43 -1.22 -4.94 118.68 119.98 3kea s LEU 58 Ca 0.38 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.74 3kea s LEU 58 Cb 0.38 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 43.01 3kea s LEU 58 CO -0.08 -0.37 1.07 -0.76 0.23 0.00 0.00 176.35 176.45 3kea s LEU 59 N -0.83 2.87 0.37 1.79 1.43 -1.26 -4.98 118.68 118.07 3kea s LEU 59 Ca 0.51 0.93 0.06 0.00 -1.03 0.00 0.00 54.13 54.60 3kea s LEU 59 Cb -0.35 -3.66 0.77 0.00 0.03 0.00 0.00 46.19 42.98 3kea s LEU 59 CO 0.41 -1.43 1.97 -0.33 0.23 0.00 0.00 176.35 177.20 3kea h GLU 60 N -0.65 0.70 -0.50 1.70 4.39 -2.02 -2.21 114.58 115.99 3kea h GLU 60 Ca -0.45 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kea h GLU 60 Cb 1.27 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3kea h GLU 60 CO 0.63 0.46 0.00 0.27 -1.16 0.00 0.00 179.01 179.22 3kea n ASN 61 N -4.47 2.66 -4.57 1.42 6.94 -1.26 -4.90 115.26 111.07 3kea n ASN 61 Ca 0.10 -2.03 -0.40 0.00 -0.02 0.00 0.00 54.58 52.23 3kea n ASN 61 Cb 0.21 -0.34 -0.09 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.39 3.77 -0.59 -3.83 2.02 -0.83 -5.00 118.70 112.84 3kea s GLU 62 Ca 0.32 -0.17 0.05 0.00 0.02 0.00 0.00 54.97 55.19 3kea s GLU 62 Cb 0.17 -3.74 0.18 0.00 0.10 0.00 0.00 34.13 30.84 3kea s GLU 62 CO 0.21 -0.44 0.47 1.19 0.02 0.00 0.00 175.26 176.72 3kea n PHE 63 N 5.43 1.77 -0.07 1.61 3.72 -1.26 -4.84 117.46 123.82 3kea n PHE 63 Ca -0.08 -3.94 0.03 0.00 -0.05 0.00 0.00 57.45 53.41 3kea n PHE 63 Cb 0.50 -0.32 0.38 0.00 -0.94 0.00 0.00 39.48 39.09 3kea n PHE 63 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3kea h PRO 64 N 5.28 0.66 -0.28 -1.08 0.11 -1.99 -2.07 132.00 132.64 3kea h PRO 64 Ca 0.19 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 3kea h PRO 64 Cb 0.80 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3kea h PRO 64 CO 0.60 0.44 -0.35 1.25 -0.21 0.00 0.00 178.00 179.74 3kea h LEU 65 N 0.68 0.79 -1.14 2.35 5.85 -1.97 0.27 115.31 122.14 3kea h LEU 65 Ca 0.20 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3kea h LEU 65 Cb -0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3kea h LEU 65 CO -0.05 1.12 0.31 0.45 -0.34 0.00 0.00 178.44 179.94 3kea h HIS 66 N 0.47 0.90 -0.10 1.25 3.86 -1.82 -0.57 115.15 119.15 3kea h HIS 66 Ca 0.04 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3kea h HIS 66 Cb 0.93 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 3kea h HIS 66 CO 0.08 0.66 -0.14 0.37 0.86 0.00 0.00 177.93 179.76 3kea h GLN 67 N 0.91 0.26 0.00 2.45 4.15 -1.10 -3.19 115.11 118.59 3kea h GLN 67 Ca 0.22 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3kea h GLN 67 Cb 0.10 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3kea h GLN 67 CO -0.03 0.72 -0.07 0.00 -1.93 0.00 0.00 178.83 177.52 3kea h ALA 68 N 0.54 1.75 0.00 3.38 0.00 -0.09 -2.51 119.26 122.33 3kea h ALA 68 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kea h ALA 68 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kea h ALA 68 CO 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 3kea h ALA 69 N 1.93 1.21 -0.00 0.00 0.00 -1.10 -1.55 119.26 119.75 3kea h ALA 69 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kea h ALA 69 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kea h ALA 69 CO 0.01 0.05 -0.02 0.25 0.00 0.00 0.00 179.25 179.54 3kea n THR 70 N -3.43 0.00 -3.21 0.00 -2.24 -0.95 -3.91 114.28 100.55 3kea n THR 70 Ca -0.02 -0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 3kea n THR 70 Cb 0.15 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.68 4.50 0.11 3.22 1.43 -0.59 -5.00 118.68 119.68 3kea s LEU 71 Ca 0.25 1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 3kea s LEU 71 Cb 0.20 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 3kea s LEU 71 CO 0.48 0.22 1.51 -0.08 0.23 0.00 0.00 176.35 178.71 3kea h GLU 72 N 4.27 0.69 -6.27 1.70 4.81 -1.88 -3.41 114.58 114.49 3kea h GLU 72 Ca -0.49 -0.27 -0.55 0.00 -0.13 0.00 0.00 59.36 57.92 3kea h GLU 72 Cb 1.21 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 3kea h GLU 72 CO 0.64 0.86 1.14 0.34 -0.73 0.00 0.00 179.01 181.27 3kea s ASP 73 N -6.32 6.53 0.00 1.04 -1.08 -1.26 -4.83 116.67 110.75 3kea s ASP 73 Ca -0.13 2.25 0.30 0.00 -0.52 0.00 0.00 52.55 54.46 3kea s ASP 73 Cb 0.09 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.60 3kea s ASP 73 CO 0.80 -1.04 2.04 0.35 0.52 0.00 0.00 175.17 177.85 3kea n THR 74 N 5.71 0.00 0.04 1.71 -2.24 -1.26 -4.43 114.28 113.81 3kea n THR 74 Ca 0.19 -0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 3kea n THR 74 Cb 0.43 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.85 -0.04 -1.00 -0.78 1.63 -1.95 -0.76 116.57 114.53 3kea h LYS 75 Ca 0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 3kea h LYS 75 Cb 0.19 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.77 3kea h LYS 75 CO 0.00 -0.02 0.66 0.82 -3.45 0.00 0.00 179.45 177.45 3kea h ILE 76 N -0.04 1.16 -0.35 2.00 2.04 -1.94 0.10 117.51 120.48 3kea h ILE 76 Ca 0.01 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.47 3kea h ILE 76 Cb 0.05 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 35.89 3kea h ILE 76 CO -0.02 0.23 0.16 0.58 0.00 0.00 0.00 178.15 179.10 3kea h VAL 77 N 1.25 0.96 -0.24 1.67 2.07 -1.61 0.16 116.25 120.51 3kea h VAL 77 Ca 0.41 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.85 3kea h VAL 77 Cb 0.04 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3kea h VAL 77 CO -0.13 0.06 0.01 0.11 0.02 0.00 0.00 177.57 177.63 3kea h LYS 78 N 0.33 0.08 -0.17 1.57 1.57 -0.48 -1.89 116.57 117.59 3kea h LYS 78 Ca 0.15 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3kea h LYS 78 Cb 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3kea h LYS 78 CO -0.12 0.05 -0.02 0.82 -0.57 0.00 0.00 179.45 179.62 3kea h ILE 79 N 0.09 0.86 -0.34 1.86 1.08 -0.15 -1.53 117.51 119.38 3kea h ILE 79 Ca 0.11 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.53 3kea h ILE 79 Cb 0.14 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 3kea h ILE 79 CO -0.19 0.00 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.21 3kea h LEU 80 N 0.03 0.50 -0.46 1.44 3.38 -0.53 -1.28 115.31 118.38 3kea h LEU 80 Ca 0.08 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3kea h LEU 80 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kea h LEU 80 CO -0.15 0.57 -0.44 -0.07 0.09 0.00 0.00 178.44 178.44 3kea h LEU 81 N 0.51 0.84 -1.64 1.67 3.38 -1.12 -1.88 115.31 117.07 3kea h LEU 81 Ca 0.11 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3kea h LEU 81 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kea h LEU 81 CO 0.01 1.16 0.16 -0.26 0.09 0.00 0.00 178.44 179.60 3kea h PHE 82 N 0.63 0.38 0.00 1.13 0.04 -0.71 -1.93 116.94 116.49 3kea h PHE 82 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3kea h PHE 82 Cb 1.01 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.03 3kea h PHE 82 CO 0.06 0.27 0.00 0.43 -0.60 0.00 0.00 178.31 178.47 3kea n SER 83 N -4.46 0.00 0.00 2.17 7.64 -0.54 -4.91 113.62 113.53 3kea n SER 83 Ca 0.01 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3kea n SER 83 Cb 0.09 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.00 0.88 3.76 0.23 0.00 -0.72 -5.07 105.19 105.27 3kea n GLY 84 Ca 0.14 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 3.98 -0.35 0.99 1.43 -0.72 -4.98 118.68 119.02 3kea s LEU 85 Ca 0.00 2.75 -0.25 0.00 -1.03 0.00 0.00 54.13 55.60 3kea s LEU 85 Cb 0.00 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.10 3kea s LEU 85 CO 0.00 -1.32 0.86 -0.62 0.23 0.00 0.00 176.35 175.50 3kea s ASP 86 N -0.84 6.65 0.23 2.29 2.15 -1.26 -4.71 116.67 121.17 3kea s ASP 86 Ca 0.66 0.54 0.20 0.00 0.43 0.00 0.00 52.55 54.38 3kea s ASP 86 Cb -0.40 -2.43 0.93 0.00 -0.30 0.00 0.00 42.92 40.72 3kea s ASP 86 CO 0.49 -0.77 1.61 -0.90 -0.17 0.00 0.00 175.17 175.43 3kea n ASP 87 N 6.56 0.51 -0.86 -0.34 5.68 -1.26 -2.56 116.55 124.28 3kea n ASP 87 Ca 0.05 0.67 0.09 0.00 -0.50 0.00 0.00 54.79 55.10 3kea n ASP 87 Cb 0.48 -0.76 0.17 0.00 -1.14 0.00 0.00 41.12 39.86 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 -2.11 3.01 -4.76 -1.12 3.41 -1.26 -4.43 113.62 106.35 3kea n SER 88 Ca 0.01 -1.88 -0.41 0.00 -0.26 0.00 0.00 58.87 56.33 3kea n SER 88 Cb 0.14 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.19 4.34 0.28 4.33 0.74 -1.06 -4.89 119.66 122.20 3kea s GLN 89 Ca 0.29 2.22 -0.10 0.00 0.05 0.00 0.00 55.36 57.83 3kea s GLN 89 Cb 0.17 -3.08 -0.07 0.00 1.10 0.00 0.00 33.01 31.13 3kea s GLN 89 CO 0.23 -0.23 0.61 -0.06 -0.55 0.00 0.00 175.29 175.29 3kea s PHE 90 N -0.89 3.43 0.00 1.67 0.08 -1.26 -4.25 117.98 116.76 3kea s PHE 90 Ca 0.51 0.90 0.00 0.00 0.12 0.00 0.00 56.93 58.46 3kea s PHE 90 Cb -0.40 -2.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 3kea s PHE 90 CO 0.51 0.18 0.00 -0.40 -0.10 0.00 0.00 175.22 175.40 3kea n ASP 91 N -0.47 0.00 0.00 1.36 5.75 -0.36 -4.86 116.55 117.97 3kea n ASP 91 Ca 0.01 -0.62 0.04 0.00 -0.01 0.00 0.00 54.79 54.20 3kea n ASP 91 Cb 0.53 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.82 3kea n ASP 91 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3kea n ASP 92 N -1.87 0.00 -0.20 -1.12 5.75 -1.26 -1.88 116.55 115.97 3kea n ASP 92 Ca 0.00 0.21 0.02 0.00 -0.01 0.00 0.00 54.79 55.01 3kea n ASP 92 Cb 0.00 -0.31 0.04 0.00 -1.03 0.00 0.00 41.12 39.82 3kea n ASP 92 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kea n LYS 93 N -1.31 2.47 -1.05 0.11 5.02 -1.26 -5.00 118.16 117.14 3kea n LYS 93 Ca 0.04 -1.54 -0.02 0.00 -2.02 0.00 0.00 58.31 54.77 3kea n LYS 93 Cb 0.07 -1.08 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.12 0.52 3.68 0.72 0.00 -0.79 -4.92 105.19 104.28 3kea n GLY 94 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.89 4.98 0.77 1.61 0.02 -1.26 -2.28 114.94 115.87 3kea s ASN 95 Ca 0.00 -0.17 -0.09 0.00 -1.02 0.00 0.00 52.86 51.58 3kea s ASN 95 Cb 0.00 -1.18 0.08 0.00 0.02 0.00 0.00 41.25 40.17 3kea s ASN 95 CO 0.00 0.19 1.10 0.42 0.02 0.00 0.00 177.10 178.83 3kea s THR 96 N -1.27 2.14 0.29 1.60 -4.23 -1.26 -1.22 115.64 111.69 3kea s THR 96 Ca 0.24 -0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 3kea s THR 96 Cb -0.12 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.90 3kea s THR 96 CO 0.17 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.09 3kea h ALA 97 N -0.86 1.25 -0.88 3.99 0.00 -1.77 -2.87 119.26 118.11 3kea h ALA 97 Ca -0.45 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.37 3kea h ALA 97 Cb 1.31 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3kea h ALA 97 CO 0.60 0.52 0.57 1.25 0.00 0.00 0.00 179.25 182.19 3kea h LEU 98 N 0.75 0.78 -1.07 0.00 5.85 -1.94 -1.74 115.31 117.95 3kea h LEU 98 Ca 0.17 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3kea h LEU 98 Cb 0.29 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3kea h LEU 98 CO -0.00 0.45 0.62 0.22 -0.34 0.00 0.00 178.44 179.39 3kea h TYR 99 N 0.85 1.12 0.00 1.25 3.20 -1.88 0.13 116.97 121.65 3kea h TYR 99 Ca 0.41 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 62.13 3kea h TYR 99 Cb 0.44 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 3kea h TYR 99 CO -0.00 0.53 -0.85 1.88 -1.64 0.00 0.00 178.16 178.08 3kea h TYR 100 N 1.05 0.00 -0.54 -3.82 0.05 -1.42 -0.34 116.97 111.96 3kea h TYR 100 Ca 0.44 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.16 3kea h TYR 100 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3kea h TYR 100 CO -0.00 0.85 0.08 0.00 -1.05 0.00 0.00 178.16 178.04 3kea h ALA 101 N 1.15 0.71 -0.10 3.88 0.00 -0.78 -0.46 119.26 123.66 3kea h ALA 101 Ca -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3kea h ALA 101 Cb 1.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3kea h ALA 101 CO 0.11 0.46 0.04 0.28 0.00 0.00 0.00 179.25 180.14 3kea h VAL 102 N 0.78 1.15 0.00 0.00 2.07 -0.81 0.09 116.25 119.53 3kea h VAL 102 Ca 0.16 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3kea h VAL 102 Cb 0.42 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3kea h VAL 102 CO 0.01 0.13 -0.10 -0.78 0.02 0.00 0.00 177.57 176.86 3kea h ASP 103 N 0.01 0.00 0.23 0.57 3.58 -0.95 -0.11 116.42 119.74 3kea h ASP 103 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3kea h ASP 103 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3kea h ASP 103 CO -0.00 0.10 -0.32 -1.20 -2.88 0.00 0.00 179.24 174.94 3kea n SER 104 N -4.09 1.08 -3.61 2.28 7.64 -0.19 -4.97 113.62 111.76 3kea n SER 104 Ca -0.03 -0.90 -0.24 0.00 1.01 0.00 0.00 58.87 58.71 3kea n SER 104 Cb 0.18 0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.37 -0.55 3.96 0.23 0.00 -0.06 -5.06 105.19 105.08 3kea n GLY 105 Ca 0.11 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.33 5.94 0.00 1.61 0.02 -0.04 -5.03 114.94 114.11 3kea s ASN 106 Ca 0.59 0.22 0.00 0.00 -1.02 0.00 0.00 52.86 52.65 3kea s ASN 106 Cb -0.26 -1.56 0.00 0.00 0.02 0.00 0.00 41.25 39.45 3kea s ASN 106 CO 0.73 -0.58 0.00 0.00 0.02 0.00 0.00 177.10 177.27 3kea n GLN 108 N -1.94 0.00 -0.02 -0.60 1.13 -1.26 -0.99 117.38 113.70 3kea n GLN 108 Ca -0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 3kea n GLN 108 Cb 0.57 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.86 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 1.28 -0.10 5.09 2.02 -1.92 -2.22 112.91 117.06 3kea h THR 109 Ca 0.00 -1.96 0.04 0.00 0.77 0.00 0.00 66.41 65.27 3kea h THR 109 Cb 0.00 1.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 3kea h THR 109 CO 0.00 0.62 -0.27 0.58 0.37 0.00 0.00 175.52 176.82 3kea h VAL 110 N 0.54 0.38 -0.11 3.16 2.07 -1.38 -2.57 116.25 118.33 3kea h VAL 110 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kea h VAL 110 Cb 1.38 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3kea h VAL 110 CO 0.16 0.00 0.05 0.11 0.02 0.00 0.00 177.57 177.91 3kea h LYS 111 N -0.35 0.15 -0.13 1.57 1.57 -1.82 -2.41 116.57 115.16 3kea h LYS 111 Ca 0.09 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3kea h LYS 111 Cb 0.49 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3kea h LYS 111 CO -0.30 0.13 0.02 1.25 -0.57 0.00 0.00 179.45 179.97 3kea h LEU 112 N 0.16 0.21 -0.47 2.94 5.85 -1.08 -1.57 115.31 121.34 3kea h LEU 112 Ca 0.04 -0.27 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 3kea h LEU 112 Cb 0.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3kea h LEU 112 CO -0.01 0.42 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.63 3kea h PHE 113 N -0.02 0.63 -0.01 1.25 0.04 -1.27 -2.89 116.94 114.68 3kea h PHE 113 Ca 0.04 -0.25 -0.22 0.00 2.80 0.00 0.00 57.97 60.34 3kea h PHE 113 Cb 0.31 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3kea h PHE 113 CO 0.02 0.99 -0.92 0.28 -0.60 0.00 0.00 178.31 178.08 3kea h VAL 114 N 0.36 1.40 -0.02 -0.55 2.07 -1.42 -1.58 116.25 116.50 3kea h VAL 114 Ca -0.01 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.02 3kea h VAL 114 Cb 1.19 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3kea h VAL 114 CO 0.11 0.72 -0.39 0.11 0.02 0.00 0.00 177.57 178.14 3kea h LYS 115 N 0.24 0.03 -0.22 1.57 1.57 -1.34 -2.51 116.57 115.91 3kea h LYS 115 Ca -0.07 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3kea h LYS 115 Cb 1.55 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 3kea h LYS 115 CO 0.16 0.42 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.20 3kea h LYS 116 N 0.03 0.42 -0.66 3.15 3.64 -1.28 -3.44 116.57 118.42 3kea h LYS 116 Ca 0.00 -0.16 0.11 0.00 -1.27 0.00 0.00 60.65 59.33 3kea h LYS 116 Cb 0.71 -0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 32.30 3kea h LYS 116 CO 0.05 0.65 -0.22 1.21 -2.27 0.00 0.00 179.45 178.87 3kea s ASN 117 N -6.00 -1.07 0.57 4.20 3.04 -0.62 -5.04 114.94 110.02 3kea s ASN 117 Ca -0.14 0.08 0.25 0.00 0.04 0.00 0.00 52.86 53.09 3kea s ASN 117 Cb 0.07 1.65 1.65 0.00 -1.54 0.00 0.00 41.25 43.08 3kea s ASN 117 CO 0.75 -0.19 2.22 4.11 -3.04 0.00 0.00 177.10 180.95 3kea h TRP 118 N 7.56 0.00 0.00 0.43 5.08 -1.68 -2.37 115.95 124.96 3kea h TRP 118 Ca -0.04 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.92 3kea h TRP 118 Cb 1.18 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 3kea h TRP 118 CO 0.08 0.00 -0.05 0.00 -1.28 0.00 0.00 178.44 177.19 3kea h ARG 119 N 0.00 0.00 -2.45 0.12 3.08 -1.93 -3.41 114.38 109.79 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kea h ARG 119 CO 0.00 0.05 0.13 1.28 -1.07 0.00 0.00 179.97 180.35 3kea n LEU 120 N -3.44 0.00 0.00 3.04 4.77 -0.89 -3.57 117.00 116.91 3kea n LEU 120 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3kea n LEU 120 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kea n LEU 120 CO 0.26 -0.18 0.00 0.49 -1.33 0.00 0.00 177.39 176.63 3kea n PHE 122 N 1.92 0.00 -3.55 -1.77 3.01 -1.26 -4.67 117.46 111.13 3kea n PHE 122 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 3kea n PHE 122 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 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 3.55 0.00 1.38 2.02 -1.23 -4.93 117.35 118.14 3kea s TYR 123 Ca 0.00 0.71 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 3kea s TYR 123 Cb 0.00 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 3kea s TYR 123 CO 0.00 0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.79 3kea n GLY 124 N 2.79 0.82 0.27 0.71 0.00 -1.26 -4.27 105.19 104.25 3kea n GLY 124 Ca -0.13 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.34 3kea n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kea h LYS 125 N 0.00 0.39 -5.31 1.61 1.79 -1.77 -3.43 116.57 109.85 3kea h LYS 125 Ca 0.00 -0.02 -0.42 0.00 -2.18 0.00 0.00 60.65 58.03 3kea h LYS 125 Cb 0.00 -0.09 -0.14 0.00 -1.58 0.00 0.00 32.23 30.42 3kea h LYS 125 CO 0.00 0.26 -0.69 0.95 -1.08 0.00 0.00 179.45 178.89 3kea s THR 126 N -6.04 1.40 0.50 -0.16 -4.23 -1.26 -5.03 115.64 100.82 3kea s THR 126 Ca -0.13 -2.11 0.22 0.00 -1.18 0.00 0.00 61.69 58.49 3kea s THR 126 Cb 0.20 -2.21 0.37 0.00 1.34 0.00 0.00 72.50 72.20 3kea s THR 126 CO 0.76 -0.46 2.00 1.23 -0.54 0.00 0.00 174.62 177.61 3kea h GLY 127 N 2.50 0.15 1.38 3.99 0.00 -1.97 0.01 103.07 109.13 3kea h GLY 127 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kea h GLY 127 CO 0.64 0.02 -0.02 0.79 0.00 0.00 0.00 176.54 177.98 3kea n TRP 128 N -4.42 0.00 0.70 5.60 8.01 -1.26 -2.94 117.44 123.14 3kea n TRP 128 Ca 0.09 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.38 3kea n TRP 128 Cb 0.50 -0.23 0.11 0.00 -2.01 0.00 0.00 31.31 29.68 3kea n TRP 128 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3kea n LYS 129 N -1.19 1.94 -2.32 -0.99 5.02 -0.01 -4.68 118.16 115.92 3kea n LYS 129 Ca 0.16 -1.81 -0.36 0.00 -2.02 0.00 0.00 58.31 54.28 3kea n LYS 129 Cb 0.23 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.61 3.27 0.21 -0.18 -4.23 -1.15 -4.69 115.64 107.26 3kea s THR 130 Ca 0.26 0.89 -0.10 0.00 -1.18 0.00 0.00 61.69 61.56 3kea s THR 130 Cb 0.18 -3.42 0.15 0.00 1.34 0.00 0.00 72.50 70.75 3kea s THR 130 CO 0.26 -0.07 1.87 0.28 -0.54 0.00 0.00 174.62 176.41 3kea h SER 131 N 1.83 0.81 0.04 3.99 0.02 -1.83 -0.59 113.55 117.81 3kea h SER 131 Ca -0.49 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3kea h SER 131 Cb 1.24 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 3kea h SER 131 CO 0.59 0.57 -0.25 0.15 -1.14 0.00 0.00 176.83 176.76 3kea h PHE 132 N 0.96 -0.66 -0.94 3.45 3.57 -1.92 -1.20 116.94 120.19 3kea h PHE 132 Ca 0.28 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.81 3kea h PHE 132 Cb -0.05 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 3kea h PHE 132 CO -0.03 -0.34 0.63 -0.92 -2.23 0.00 0.00 178.31 175.42 3kea h TYR 133 N -0.40 1.19 -0.74 0.41 3.20 -1.76 -2.34 116.97 116.52 3kea h TYR 133 Ca 0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3kea h TYR 133 Cb 0.47 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3kea h TYR 133 CO -0.26 0.75 0.39 1.25 -1.64 0.00 0.00 178.16 178.65 3kea h HIS 134 N 1.28 1.04 -0.79 -3.82 2.76 -0.90 -2.66 115.15 112.06 3kea h HIS 134 Ca 0.35 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 3kea h HIS 134 Cb -0.15 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.44 3kea h HIS 134 CO -0.01 0.74 0.47 0.00 -1.30 0.00 0.00 177.93 177.83 3kea h ALA 135 N 1.20 1.01 0.00 5.26 0.00 -1.04 -1.54 119.26 124.15 3kea h ALA 135 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kea h ALA 135 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kea h ALA 135 CO -0.04 0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.98 3kea n VAL 136 N -4.46 0.10 0.00 0.00 0.31 -0.90 -1.09 118.33 112.28 3kea n VAL 136 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3kea n VAL 136 Cb 0.06 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 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 0.76 0.00 -4.01 7.52 4.77 -0.58 -4.50 117.00 120.96 3kea n LEU 138 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 3kea n LEU 138 Cb 0.06 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3kea n LEU 138 CO 0.00 0.00 -0.08 -3.20 -1.33 0.00 0.00 177.39 172.78 3kea n ASN 139 N 0.00 -2.31 -4.43 -1.43 5.15 -1.12 -4.93 115.26 106.19 3kea n ASN 139 Ca 0.00 -0.94 -0.44 0.00 -0.60 0.00 0.00 54.58 52.59 3kea n ASN 139 Cb 0.00 -3.23 -0.01 0.00 -0.53 0.00 0.00 39.78 36.01 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 -3.80 6.85 0.35 1.20 -1.08 -0.25 -4.88 116.67 115.05 3kea s ASP 140 Ca 0.38 -2.58 0.04 0.00 -0.52 0.00 0.00 52.55 49.88 3kea s ASP 140 Cb -0.20 -2.35 0.63 0.00 -1.46 0.00 0.00 42.92 39.54 3kea s ASP 140 CO 0.88 -0.82 1.91 -0.37 0.52 0.00 0.00 175.17 177.29 3kea h VAL 141 N 5.12 1.18 -0.09 1.11 -1.51 -1.92 -2.18 116.25 117.95 3kea h VAL 141 Ca 0.20 -0.67 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3kea h VAL 141 Cb 0.97 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3kea h VAL 141 CO 1.08 0.24 0.06 0.28 -1.23 0.00 0.00 177.57 178.00 3kea h SER 142 N 0.54 0.11 -0.25 4.19 0.02 -1.97 0.12 113.55 116.31 3kea h SER 142 Ca 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3kea h SER 142 Cb 0.24 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3kea h SER 142 CO -0.00 0.12 0.11 0.40 -1.14 0.00 0.00 176.83 176.33 3kea h ILE 143 N 0.10 1.15 -0.63 3.27 2.04 -1.84 -1.64 117.51 119.96 3kea h ILE 143 Ca 0.03 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 3kea h ILE 143 Cb 0.03 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kea h ILE 143 CO -0.01 0.15 0.12 0.58 0.00 0.00 0.00 178.15 178.99 3kea h VAL 144 N 0.27 1.26 -0.95 1.67 2.07 -1.34 0.11 116.25 119.34 3kea h VAL 144 Ca 0.09 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3kea h VAL 144 Cb 0.14 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3kea h VAL 144 CO -0.01 0.37 0.62 -1.28 0.02 0.00 0.00 177.57 177.29 3kea h SER 145 N 0.94 1.02 -0.09 0.57 0.87 -0.70 -0.92 113.55 115.24 3kea h SER 145 Ca 0.19 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3kea h SER 145 Cb 0.41 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3kea h SER 145 CO 0.01 0.69 -0.00 0.22 -0.53 0.00 0.00 176.83 177.21 3kea h TYR 146 N 1.17 0.17 -0.42 2.24 3.20 -0.47 -2.91 116.97 119.96 3kea h TYR 146 Ca 0.38 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.29 3kea h TYR 146 Cb 0.04 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 3kea h TYR 146 CO -0.00 0.43 0.04 0.74 -1.64 0.00 0.00 178.16 177.73 3kea h PHE 147 N -0.14 0.05 -0.32 -3.82 0.04 -0.38 -2.40 116.94 109.97 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 0.37 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 3kea h PHE 147 CO 0.04 -0.04 0.04 -0.07 -0.60 0.00 0.00 178.31 177.68 3kea h LEU 148 N 0.15 0.43 0.00 1.54 3.38 -1.22 -1.50 115.31 118.10 3kea h LEU 148 Ca 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kea h LEU 148 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kea h LEU 148 CO -0.31 0.47 0.00 -1.54 0.09 0.00 0.00 178.44 177.15 3kea n SER 149 N -4.33 0.00 -0.29 -0.43 3.41 -0.91 -2.72 113.62 108.35 3kea n SER 149 Ca 0.01 0.35 0.04 0.00 -0.26 0.00 0.00 58.87 59.01 3kea n SER 149 Cb 0.20 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.42 0.32 -2.73 4.33 -0.58 -0.58 -4.94 120.64 115.04 3kea n GLU 150 Ca 0.04 -0.91 -0.43 0.00 -0.42 0.00 0.00 57.16 55.45 3kea n GLU 150 Cb 0.14 -1.13 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.70 4.72 0.51 -3.67 1.01 -1.10 -4.91 121.20 117.06 3kea s ILE 151 Ca 0.09 1.88 -0.22 0.00 0.00 0.00 0.00 60.65 62.40 3kea s ILE 151 Cb 0.06 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 3kea s ILE 151 CO 0.11 -0.16 1.23 -2.16 0.00 0.00 0.00 174.94 173.95 3kea s PRO 152 N 3.12 3.45 0.48 2.79 0.04 -1.26 -4.91 135.00 138.71 3kea s PRO 152 Ca 0.41 1.91 0.20 0.00 0.04 0.00 0.00 61.00 63.56 3kea s PRO 152 Cb -0.15 -2.28 1.22 0.00 0.04 0.00 0.00 34.50 33.33 3kea s PRO 152 CO 0.07 -0.84 1.97 0.66 0.04 0.00 0.00 177.00 178.90 3kea h SER 153 N 1.68 0.19 0.01 6.66 4.64 -1.98 -1.32 113.55 123.42 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 1.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kea h SER 153 CO 0.58 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 177.00 3kea n THR 154 N -4.43 0.18 -4.90 2.95 -2.24 -1.26 -4.63 114.28 99.96 3kea n THR 154 Ca 0.11 0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.67 3kea n THR 154 Cb 0.53 -1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 67.60 3kea n THR 154 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3kea s PHE 155 N -2.10 1.80 -0.16 4.78 5.36 -0.50 -5.11 117.98 122.05 3kea s PHE 155 Ca 0.03 -0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 55.62 3kea s PHE 155 Cb 0.01 -1.14 -0.02 0.00 -0.34 0.00 0.00 43.02 41.54 3kea s PHE 155 CO 0.02 -0.00 -0.05 0.16 -1.46 0.00 0.00 175.22 173.89 3kea s ASP 156 N -0.63 4.60 0.04 6.13 -4.77 -1.26 -4.85 116.67 115.92 3kea s ASP 156 Ca 0.08 -0.20 -0.31 0.00 -3.30 0.00 0.00 52.55 48.82 3kea s ASP 156 Cb -0.08 -1.75 -0.07 0.00 -1.09 0.00 0.00 42.92 39.94 3kea s ASP 156 CO -0.00 0.14 1.45 -0.22 0.70 0.00 0.00 175.17 177.24 3kea s LEU 157 N 0.51 4.34 -0.02 2.11 0.20 -1.26 -4.94 118.68 119.62 3kea s LEU 157 Ca -0.04 2.24 -0.05 0.00 0.69 0.00 0.00 54.13 56.96 3kea s LEU 157 Cb -0.15 -3.57 -0.29 0.00 -0.43 0.00 0.00 46.19 41.76 3kea s LEU 157 CO 0.03 -0.74 0.78 0.00 -0.29 0.00 0.00 176.35 176.14 3kea h ALA 158 N 7.68 0.25 -0.05 5.97 0.00 -2.03 -3.34 119.26 127.74 3kea h ALA 158 Ca -0.40 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.38 3kea h ALA 158 Cb 1.19 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3kea h ALA 158 CO 0.90 1.12 0.00 -0.89 0.00 0.00 0.00 179.25 180.37 3kea n ILE 159 N -3.49 0.06 -0.46 0.00 5.41 -1.26 -4.29 119.36 115.33 3kea n ILE 159 Ca -0.19 -0.19 0.39 0.00 1.00 0.00 0.00 62.75 63.76 3kea n ILE 159 Cb 1.05 0.15 0.67 0.00 -0.71 0.00 0.00 39.64 40.80 3kea n ILE 159 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kea h LEU 160 N 1.51 0.22 0.20 1.39 5.85 -2.00 -1.03 115.31 121.45 3kea h LEU 160 Ca 0.00 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kea h LEU 160 Cb 0.32 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3kea h LEU 160 CO 0.00 -0.24 -0.16 0.25 -0.34 0.00 0.00 178.44 177.95 3kea h LEU 161 N 0.03 -0.42 -0.72 2.25 7.12 -1.91 -2.12 115.31 119.55 3kea h LEU 161 Ca 0.86 0.04 -0.06 0.00 0.13 0.00 0.00 57.88 58.85 3kea h LEU 161 Cb 2.74 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 43.00 3kea h LEU 161 CO -0.46 -0.25 -0.27 0.77 -0.13 0.00 0.00 178.44 178.10 3kea h SER 162 N -0.38 0.00 -0.31 1.25 4.64 -1.54 -2.35 113.55 114.86 3kea h SER 162 Ca -0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 3kea h SER 162 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3kea h SER 162 CO -0.02 0.27 -0.17 0.00 -0.87 0.00 0.00 176.83 176.05 3kea h ILE 164 N 0.41 1.24 0.11 0.00 2.04 -1.15 -2.03 117.51 118.14 3kea h ILE 164 Ca 0.07 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.06 3kea h ILE 164 Cb 0.70 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3kea h ILE 164 CO 0.05 0.31 -0.41 -0.74 0.00 0.00 0.00 178.15 177.36 3kea h HIS 165 N 0.61 -1.14 -0.45 1.37 2.76 -1.36 -0.25 115.15 116.70 3kea h HIS 165 Ca 0.14 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3kea h HIS 165 Cb 0.38 0.48 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 3kea h HIS 165 CO 0.03 -0.51 0.22 0.82 -1.30 0.00 0.00 177.93 177.19 3kea h ILE 166 N -0.64 1.18 -0.12 6.26 1.08 -1.40 0.23 117.51 124.10 3kea h ILE 166 Ca 0.02 -0.49 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 3kea h ILE 166 Cb 0.67 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 3kea h ILE 166 CO -0.24 0.19 -0.22 0.74 -0.69 0.00 0.00 178.15 177.93 3kea h THR 167 N 0.58 0.45 -0.28 -0.27 2.02 -1.27 -1.82 112.91 112.33 3kea h THR 167 Ca 0.15 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 3kea h THR 167 Cb 0.10 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3kea h THR 167 CO -0.02 0.00 -0.15 0.40 0.37 0.00 0.00 175.52 176.12 3kea h ILE 168 N -0.29 1.30 -1.00 3.11 2.04 -0.74 -1.87 117.51 120.06 3kea h ILE 168 Ca 0.10 -1.25 0.21 0.00 1.00 0.00 0.00 64.86 64.92 3kea h ILE 168 Cb 0.43 1.52 -0.11 0.00 -0.74 0.00 0.00 36.82 37.92 3kea h ILE 168 CO -0.29 0.40 0.60 0.50 0.00 0.00 0.00 178.15 179.36 3kea h LYS 169 N 0.33 0.68 -0.45 2.37 3.64 -0.40 -2.84 116.57 119.90 3kea h LYS 169 Ca 0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3kea h LYS 169 Cb 0.67 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3kea h LYS 169 CO 0.04 0.45 0.00 0.09 -2.27 0.00 0.00 179.45 177.76 3kea n ASN 170 N -4.81 3.25 -0.32 4.20 3.02 -0.70 -5.00 115.26 114.90 3kea n ASN 170 Ca 0.24 -2.03 -0.03 0.00 -0.03 0.00 0.00 54.58 52.73 3kea n ASN 170 Cb 0.63 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.79 0.27 3.42 7.41 0.00 -0.83 -4.97 105.19 111.28 3kea n GLY 171 Ca 0.15 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.14 3.76 0.12 1.61 3.76 -0.76 -4.88 115.29 116.75 3kea s HIS 172 Ca 0.00 -2.32 -0.19 0.00 -0.15 0.00 0.00 55.06 52.39 3kea s HIS 172 Cb 0.00 -4.16 -0.05 0.00 1.11 0.00 0.00 32.58 29.48 3kea s HIS 172 CO 0.00 -1.25 1.76 0.28 -0.85 0.00 0.00 174.74 174.68 3kea h VAL 173 N 4.33 1.00 -0.15 -0.90 2.07 -1.93 -3.43 116.25 117.24 3kea h VAL 173 Ca 0.27 -0.07 -0.26 0.00 0.82 0.00 0.00 66.70 67.46 3kea h VAL 173 Cb 0.87 0.76 0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3kea h VAL 173 CO 1.17 0.04 0.76 0.47 0.02 0.00 0.00 177.57 180.03 3kea n ASP 174 N -5.00 1.79 0.00 0.57 8.00 -1.26 -4.70 116.55 115.94 3kea n ASP 174 Ca -0.03 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.91 3kea n ASP 174 Cb 0.05 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 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 8.08 0.00 0.08 0.53 5.41 -1.26 -4.74 119.36 127.46 3kea n ILE 177 Ca 0.44 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.07 3kea n ILE 177 Cb 0.45 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.32 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 -0.17 -0.65 1.39 3.38 -1.96 -0.04 115.31 117.26 3kea h LEU 178 Ca 0.00 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kea h LEU 178 Cb 0.00 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3kea h LEU 178 CO 0.00 -0.10 0.21 -0.07 0.09 0.00 0.00 178.44 178.56 3kea h LEU 179 N -0.15 0.95 -0.70 1.67 3.38 -1.96 -1.91 115.31 116.59 3kea h LEU 179 Ca 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3kea h LEU 179 Cb 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3kea h LEU 179 CO -0.01 0.90 0.31 -0.07 0.09 0.00 0.00 178.44 179.66 3kea h LEU 180 N 0.94 0.94 -0.76 1.67 3.38 -1.95 -2.95 115.31 116.57 3kea h LEU 180 Ca 0.21 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3kea h LEU 180 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3kea h LEU 180 CO -0.01 0.83 0.15 0.44 0.09 0.00 0.00 178.44 179.95 3kea h ASP 181 N 0.99 1.04 0.00 -0.43 3.45 -0.89 -1.28 116.42 119.29 3kea h ASP 181 Ca 0.24 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3kea h ASP 181 Cb 0.16 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3kea h ASP 181 CO -0.03 1.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.65 3kea n TYR 182 N -4.23 0.00 0.00 4.55 9.36 -0.73 -1.29 117.16 124.82 3kea n TYR 182 Ca 0.05 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3kea n TYR 182 Cb 0.26 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 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 0.65 0.00 0.08 2.97 -1.04 -0.49 -2.26 114.28 114.19 3kea n THR 184 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 3kea n THR 184 Cb 0.08 0.00 0.40 0.00 -1.82 0.00 0.00 70.33 68.98 3kea n THR 184 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3kea h SER 185 N 0.00 0.31 -0.27 8.00 0.02 -1.45 -2.96 113.55 117.20 3kea h SER 185 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kea h SER 185 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3kea h SER 185 CO 0.00 0.38 0.00 0.35 -1.14 0.00 0.00 176.83 176.42 3kea n THR 186 N -4.34 2.30 -1.69 -2.27 -2.24 -0.96 -4.85 114.28 100.23 3kea n THR 186 Ca 0.00 -1.86 -0.42 0.00 -2.27 0.00 0.00 64.05 59.51 3kea n THR 186 Cb 0.21 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.46 4.14 0.23 3.42 5.15 -1.12 -4.73 115.26 121.90 3kea n ASN 187 Ca 0.22 -2.82 0.07 0.00 -0.60 0.00 0.00 54.58 51.45 3kea n ASN 187 Cb 0.90 -1.64 0.55 0.00 -0.53 0.00 0.00 39.78 39.06 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 3.95 0.97 -0.00 -0.44 1.35 -1.89 -0.73 112.91 116.11 3kea h THR 188 Ca 0.59 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3kea h THR 188 Cb 0.62 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3kea h THR 188 CO 1.88 0.19 -0.08 0.59 -0.25 0.00 0.00 175.52 177.85 3kea n ASN 189 N -4.06 0.33 -4.10 5.36 5.03 -1.26 -4.94 115.26 111.62 3kea n ASN 189 Ca -0.02 -0.46 -0.33 0.00 0.87 0.00 0.00 54.58 54.64 3kea n ASN 189 Cb 0.27 -0.12 -0.01 0.00 -1.02 0.00 0.00 39.78 38.89 3kea n ASN 189 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3kea n ASN 190 N -1.05 -3.34 -4.93 6.41 4.13 -0.28 -4.98 115.26 111.22 3kea n ASN 190 Ca 0.14 -0.94 -0.20 0.00 1.68 0.00 0.00 54.58 55.26 3kea n ASN 190 Cb 0.27 -3.13 0.05 0.00 -1.54 0.00 0.00 39.78 35.43 3kea n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3kea s SER 191 N -3.44 5.14 0.41 6.41 1.04 -1.26 -5.07 113.70 116.92 3kea s SER 191 Ca 0.62 -0.34 -0.25 0.00 0.48 0.00 0.00 55.95 56.46 3kea s SER 191 Cb -0.33 -0.42 -0.08 0.00 0.10 0.00 0.00 66.02 65.29 3kea s SER 191 CO 0.89 -1.24 1.22 -0.76 0.98 0.00 0.00 173.24 174.33 3kea s LEU 192 N -4.73 4.17 0.02 2.42 1.02 -1.26 -4.98 118.68 115.34 3kea s LEU 192 Ca 0.60 2.45 -0.30 0.00 0.02 0.00 0.00 54.13 56.90 3kea s LEU 192 Cb -0.08 -4.02 -0.05 0.00 0.02 0.00 0.00 46.19 42.06 3kea s LEU 192 CO 0.38 -0.79 1.29 -0.76 0.02 0.00 0.00 176.35 176.49 3kea s LEU 193 N -2.57 4.33 -0.42 1.79 1.43 0.13 -4.58 118.68 118.79 3kea s LEU 193 Ca 0.58 2.04 -0.26 0.00 -1.03 0.00 0.00 54.13 55.46 3kea s LEU 193 Cb -0.33 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.34 3kea s LEU 193 CO 0.42 -0.60 0.94 0.12 0.23 0.00 0.00 176.35 177.46 3kea s PHE 194 N 1.76 2.98 -0.34 0.29 5.36 -1.26 0.24 117.98 127.01 3kea s PHE 194 Ca 0.60 0.56 0.04 0.00 -0.96 0.00 0.00 56.93 57.18 3kea s PHE 194 Cb -0.30 -3.86 0.10 0.00 -0.34 0.00 0.00 43.02 38.62 3kea s PHE 194 CO 0.27 -1.00 0.05 0.42 -1.46 0.00 0.00 175.22 173.50 3kea s ILE 195 N 3.68 2.29 0.17 3.12 -1.09 -1.26 -5.00 121.20 123.11 3kea s ILE 195 Ca 0.38 -2.35 -0.15 0.00 -2.23 0.00 0.00 60.65 56.30 3kea s ILE 195 Cb -0.11 -2.69 0.09 0.00 -1.58 0.00 0.00 42.46 38.17 3kea s ILE 195 CO 0.23 -0.60 1.70 1.55 -1.23 0.00 0.00 174.94 176.59 3kea h PRO 196 N 7.61 0.12 -0.72 2.79 0.14 -1.95 -3.16 132.00 136.83 3kea h PRO 196 Ca -0.04 -0.01 -0.09 0.00 0.14 0.00 0.00 66.00 66.00 3kea h PRO 196 Cb 1.02 -0.03 -0.06 0.00 0.14 0.00 0.00 31.00 32.08 3kea h PRO 196 CO 0.52 0.08 0.12 -0.25 0.14 0.00 0.00 178.00 178.61 3kea n ASP 197 N -5.19 4.71 -0.32 1.44 8.00 -1.26 -4.31 116.55 119.61 3kea n ASP 197 Ca 0.03 -2.91 0.09 0.00 0.71 0.00 0.00 54.79 52.72 3kea n ASP 197 Cb 0.22 -0.69 0.20 0.00 -0.02 0.00 0.00 41.12 40.84 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 2.82 0.09 0.00 0.53 6.09 -1.98 0.24 117.51 125.31 3kea h ILE 198 Ca 0.12 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.59 3kea h ILE 198 Cb 1.93 0.07 -0.00 0.00 0.47 0.00 0.00 36.82 39.29 3kea h ILE 198 CO 0.53 0.00 -0.04 0.07 -3.07 0.00 0.00 178.15 175.64 3kea h LYS 199 N 0.02 0.00 -0.59 2.19 5.09 -1.89 -1.19 116.57 120.21 3kea h LYS 199 Ca 0.50 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 61.16 3kea h LYS 199 Cb 0.91 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.22 3kea h LYS 199 CO -0.90 0.04 0.04 1.25 -2.09 0.00 0.00 179.45 177.80 3kea h LEU 200 N 0.00 0.98 -0.27 7.07 5.85 -0.84 -2.04 115.31 126.06 3kea h LEU 200 Ca -0.00 -0.29 -0.19 0.00 0.84 0.00 0.00 57.88 58.24 3kea h LEU 200 Cb 0.09 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3kea h LEU 200 CO 0.01 1.03 -0.88 0.00 -0.34 0.00 0.00 178.44 178.25 3kea h ALA 201 N 0.99 0.53 0.11 1.25 0.00 -1.04 -2.49 119.26 118.62 3kea h ALA 201 Ca 0.17 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3kea h ALA 201 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kea h ALA 201 CO 0.02 0.98 -0.05 0.82 0.00 0.00 0.00 179.25 181.02 3kea h ILE 202 N 0.06 0.91 -0.60 0.00 1.08 -1.41 -0.80 117.51 116.75 3kea h ILE 202 Ca -0.03 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 3kea h ILE 202 Cb 1.53 0.96 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 3kea h ILE 202 CO 0.13 0.02 0.35 0.44 -0.69 0.00 0.00 178.15 178.40 3kea h ASP 203 N -0.19 0.73 1.92 1.72 3.45 -1.28 -1.64 116.42 121.13 3kea h ASP 203 Ca -0.02 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.39 3kea h ASP 203 Cb 0.15 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3kea h ASP 203 CO 0.03 0.57 -0.06 0.78 -1.57 0.00 0.00 179.24 178.98 3kea h ASN 204 N 0.83 0.00 -6.78 6.45 2.35 -1.44 -3.48 115.58 113.51 3kea h ASN 204 Ca 0.22 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.43 3kea h ASN 204 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3kea h ASN 204 CO -0.04 0.06 -1.01 1.17 -1.65 0.00 0.00 177.43 175.97 3kea n LYS 205 N -3.12 -0.70 -2.94 0.81 4.81 -0.31 -4.92 118.16 111.80 3kea n LYS 205 Ca 0.04 0.32 -0.43 0.00 -0.87 0.00 0.00 58.31 57.36 3kea n LYS 205 Cb 0.55 -2.71 -0.04 0.00 0.02 0.00 0.00 35.03 32.85 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 -3.37 6.20 0.18 3.14 -1.08 -1.20 -4.96 116.67 115.58 3kea s ASP 206 Ca 0.36 -1.00 -0.13 0.00 -0.52 0.00 0.00 52.55 51.25 3kea s ASP 206 Cb -0.19 -2.38 0.08 0.00 -1.46 0.00 0.00 42.92 38.97 3kea s ASP 206 CO 0.94 -1.29 1.81 0.40 0.52 0.00 0.00 175.17 177.54 3kea h ILE 207 N 5.96 1.17 0.00 4.11 5.03 -1.92 -0.33 117.51 131.53 3kea h ILE 207 Ca -0.29 -0.39 0.00 0.00 -0.12 0.00 0.00 64.86 64.06 3kea h ILE 207 Cb 1.08 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 35.27 3kea h ILE 207 CO 1.13 0.18 0.00 1.21 -0.68 0.00 0.00 178.15 179.99 3kea n GLU 208 N -4.64 0.08 0.00 2.37 2.13 -1.26 -0.60 120.64 118.72 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 0.06 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.56 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 0.66 0.00 -0.35 4.31 4.77 -0.14 -1.67 117.00 124.59 3kea n LEU 210 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3kea n LEU 210 Cb 0.03 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3kea n LEU 210 CO 0.00 0.00 1.23 1.56 -1.33 0.00 0.00 177.39 178.85 3kea h GLN 211 N 0.00 1.25 -0.31 3.23 4.20 -1.10 -0.50 115.11 121.87 3kea h GLN 211 Ca 0.00 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3kea h GLN 211 Cb 0.00 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3kea h GLN 211 CO 0.00 0.87 -0.06 0.00 -0.67 0.00 0.00 178.83 178.97 3kea h ALA 212 N 1.31 0.43 -0.50 3.87 0.00 -1.56 -3.05 119.26 119.75 3kea h ALA 212 Ca 0.33 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kea h ALA 212 Cb -0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3kea h ALA 212 CO -0.06 0.24 0.20 -0.07 0.00 0.00 0.00 179.25 179.56 3kea h LEU 213 N 0.37 0.22 0.00 0.00 3.38 -1.76 -2.88 115.31 114.64 3kea h LEU 213 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kea h LEU 213 Cb 0.54 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kea h LEU 213 CO 0.03 0.16 0.00 0.49 0.09 0.00 0.00 178.44 179.20 3kea n PHE 214 N -4.98 0.00 0.71 1.13 3.01 -0.22 -2.17 117.46 114.94 3kea n PHE 214 Ca 0.05 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.64 3kea n PHE 214 Cb 0.19 -0.11 0.47 0.00 -0.01 0.00 0.00 39.48 40.01 3kea n PHE 214 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3kea n LYS 215 N -1.11 0.18 -3.73 -1.08 5.02 -1.09 -4.89 118.16 111.46 3kea n LYS 215 Ca 0.14 0.17 -0.21 0.00 -2.02 0.00 0.00 58.31 56.40 3kea n LYS 215 Cb 0.11 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3kea n LYS 215 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3kea s TYR 216 N -3.09 2.90 -1.49 2.13 2.02 -0.92 -5.00 117.35 113.91 3kea s TYR 216 Ca 0.11 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 3kea s TYR 216 Cb 0.14 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3kea s TYR 216 CO 0.55 0.12 2.43 -0.25 -1.57 0.00 0.00 175.55 176.83 3kea n ASP 217 N -1.43 5.67 -4.84 2.29 8.00 -1.26 -4.95 116.55 120.03 3kea n ASP 217 Ca -0.01 -2.80 -0.33 0.00 0.71 0.00 0.00 54.79 52.37 3kea n ASP 217 Cb 0.60 -1.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.04 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 2.41 4.55 -0.65 0.53 -0.00 -1.26 -0.70 121.20 126.08 3kea s ILE 218 Ca 0.54 1.19 -0.27 0.00 -0.00 0.00 0.00 60.65 62.10 3kea s ILE 218 Cb 0.15 -3.62 0.00 0.00 -0.00 0.00 0.00 42.46 38.99 3kea s ILE 218 CO -0.07 -0.30 1.57 0.21 -0.00 0.00 0.00 174.94 176.35 3kea s ASN 219 N -2.35 5.75 0.00 4.36 3.84 0.14 -4.65 114.94 122.03 3kea s ASN 219 Ca 0.58 0.05 0.29 0.00 0.21 0.00 0.00 52.86 53.98 3kea s ASN 219 Cb -0.10 -2.54 1.18 0.00 -0.55 0.00 0.00 41.25 39.25 3kea s ASN 219 CO 0.17 -2.06 1.82 2.30 -2.79 0.00 0.00 177.10 176.55 3kea n ILE 220 N 6.85 0.00 -0.11 -5.21 -5.35 -1.26 -4.21 119.36 110.07 3kea n ILE 220 Ca 0.13 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.37 3kea n ILE 220 Cb 0.50 0.11 -0.15 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.09 4.28 4.01 -1.26 -4.30 117.16 119.41 3kea n TYR 221 Ca 0.17 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.89 3kea n TYR 221 Cb 0.29 -1.00 0.15 0.00 -0.31 0.00 0.00 39.34 38.47 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 -2.86 3.22 -0.00 7.72 3.41 -1.26 -3.34 113.62 120.51 3kea n SER 222 Ca -0.36 -2.53 0.02 0.00 -0.26 0.00 0.00 58.87 55.74 3kea n SER 222 Cb 1.12 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.09 2.41 -1.02 7.33 0.00 -1.26 -4.99 120.51 123.07 3kea n ALA 223 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 3kea n ALA 223 Cb 0.81 -0.12 -0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.11 -3.09 0.29 0.00 5.03 -1.21 -4.90 115.26 110.28 3kea n ASN 224 Ca 0.01 0.01 0.14 0.00 0.87 0.00 0.00 54.58 55.61 3kea n ASN 224 Cb 0.05 -0.64 0.88 0.00 -1.02 0.00 0.00 39.78 39.06 3kea n ASN 224 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3kea h LEU 225 N 0.00 0.00 -1.54 3.41 3.38 -1.83 -0.30 115.31 118.43 3kea h LEU 225 Ca -0.01 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.30 3kea h LEU 225 Cb 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 3kea h LEU 225 CO 0.02 0.00 0.78 1.05 0.09 0.00 0.00 178.44 180.38 3kea h GLU 226 N 0.00 0.21 -0.65 1.13 9.09 -1.90 0.54 114.58 122.99 3kea h GLU 226 Ca -0.00 -0.01 0.19 0.00 0.05 0.00 0.00 59.36 59.59 3kea h GLU 226 Cb 0.01 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.03 3kea h GLU 226 CO 0.00 0.14 0.71 -0.91 0.05 0.00 0.00 179.01 179.00 3kea h ASN 227 N 0.21 0.00 -0.01 3.06 4.21 -1.43 -2.87 115.58 118.75 3kea h ASN 227 Ca 0.66 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.17 3kea h ASN 227 Cb 2.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.23 3kea h ASN 227 CO -0.25 0.00 -0.10 0.55 -1.29 0.00 0.00 177.43 176.34 3kea n VAL 228 N -3.57 0.00 0.25 2.81 3.14 0.19 -4.55 118.33 116.59 3kea n VAL 228 Ca 0.13 -0.45 0.12 0.00 -2.96 0.00 0.00 64.34 61.18 3kea n VAL 228 Cb 0.94 1.16 0.64 0.00 -1.06 0.00 0.00 33.84 35.53 3kea n VAL 228 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3kea h LEU 229 N 1.53 0.00 -2.40 6.55 3.38 -1.46 -1.59 115.31 121.32 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 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kea h LEU 229 CO 0.00 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.87 3kea n LEU 230 N -3.55 3.52 -0.07 1.67 4.77 -1.26 -4.60 117.00 117.48 3kea n LEU 230 Ca -0.01 -1.58 -0.07 0.00 -0.03 0.00 0.00 56.01 54.32 3kea n LEU 230 Cb 0.30 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3kea n LEU 230 CO 0.31 0.78 -0.19 0.44 -1.33 0.00 0.00 177.39 177.40 3kea h ASP 231 N 4.38 0.00 -3.37 -1.43 3.32 -1.58 -3.48 116.42 114.27 3kea h ASP 231 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 57.03 56.55 3kea h ASP 231 Cb 0.98 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.18 3kea h ASP 231 CO 0.00 0.83 -0.68 -0.62 -1.72 0.00 0.00 179.24 177.06 3kea s ASP 232 N -5.93 0.37 0.04 6.45 -1.08 -1.25 -5.06 116.67 110.22 3kea s ASP 232 Ca -0.13 0.18 0.06 0.00 -0.52 0.00 0.00 52.55 52.13 3kea s ASP 232 Cb 0.02 0.05 -0.24 0.00 -1.46 0.00 0.00 42.92 41.29 3kea s ASP 232 CO 0.27 -0.18 0.99 0.00 0.52 0.00 0.00 175.17 176.77 3kea h ALA 233 N 7.73 0.44 -0.62 3.66 0.00 -1.92 0.15 119.26 128.68 3kea h ALA 233 Ca -0.32 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 53.45 3kea h ALA 233 Cb 1.12 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3kea h ALA 233 CO 0.33 1.31 0.29 1.49 0.00 0.00 0.00 179.25 182.67 3kea h GLU 234 N 0.02 0.90 -0.03 0.00 4.81 -1.98 -1.24 114.58 117.06 3kea h GLU 234 Ca -0.15 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 3kea h GLU 234 Cb 1.91 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 31.14 3kea h GLU 234 CO 0.13 0.73 -0.55 0.82 -0.73 0.00 0.00 179.01 179.41 3kea h ILE 235 N 0.86 1.42 -0.98 2.32 2.04 -1.92 -3.25 117.51 117.99 3kea h ILE 235 Ca 0.21 -1.99 0.15 0.00 1.00 0.00 0.00 64.86 64.23 3kea h ILE 235 Cb 0.13 2.49 -0.09 0.00 -0.74 0.00 0.00 36.82 38.61 3kea h ILE 235 CO -0.03 0.58 0.62 0.00 0.00 0.00 0.00 178.15 179.32 3kea h ALA 236 N 0.36 1.65 0.00 1.87 0.00 -0.66 -2.04 119.26 120.43 3kea h ALA 236 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kea h ALA 236 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kea h ALA 236 CO 0.11 0.06 0.00 1.17 0.00 0.00 0.00 179.25 180.59 3kea n LYS 237 N -4.65 0.33 0.00 0.00 4.81 -0.48 -1.85 118.16 116.32 3kea n LYS 237 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3kea n LYS 237 Cb 0.46 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.17 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 1.03 0.00 -0.26 3.15 5.41 -0.77 -1.93 119.36 125.99 3kea n ILE 239 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.69 3kea n ILE 239 Cb 0.16 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.15 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 1.23 -0.81 1.39 2.04 -1.64 -0.28 117.51 119.44 3kea h ILE 240 Ca 0.00 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.31 3kea h ILE 240 Cb 0.00 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 3kea h ILE 240 CO 0.00 0.26 0.53 -0.08 0.00 0.00 0.00 178.15 178.86 3kea h GLU 241 N 0.99 0.84 0.00 2.37 4.81 -1.65 -0.01 114.58 121.94 3kea h GLU 241 Ca 0.25 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3kea h GLU 241 Cb 0.09 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3kea h GLU 241 CO -0.03 0.56 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.58 3kea h LYS 242 N 0.87 -0.00 -0.80 1.92 1.63 -1.58 -1.98 116.57 116.62 3kea h LYS 242 Ca 0.35 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.31 3kea h LYS 242 Cb 0.25 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.78 3kea h LYS 242 CO -0.13 0.68 0.34 1.25 -3.45 0.00 0.00 179.45 178.15 3kea h HIS 243 N -0.70 0.58 -0.58 1.91 2.76 -1.03 0.14 115.15 118.24 3kea h HIS 243 Ca -0.00 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 3kea h HIS 243 Cb 0.69 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 3kea h HIS 243 CO 0.17 0.06 0.13 0.28 -1.30 0.00 0.00 177.93 177.27 3kea h VAL 244 N 0.47 1.25 -0.44 5.26 2.07 -0.92 -2.36 116.25 121.58 3kea h VAL 244 Ca 0.45 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3kea h VAL 244 Cb 0.72 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3kea h VAL 244 CO -0.43 0.34 0.04 1.05 0.02 0.00 0.00 177.57 178.60 3kea h GLU 245 N 0.83 0.69 0.00 1.57 4.11 -0.45 -2.81 114.58 118.52 3kea h GLU 245 Ca 0.18 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 3kea h GLU 245 Cb 0.37 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kea h GLU 245 CO 0.00 0.68 -0.13 1.88 0.07 0.00 0.00 179.01 181.51 3kea h TYR 246 N 0.66 0.00 0.00 2.06 0.05 -0.36 -1.39 116.97 117.99 3kea h TYR 246 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 3kea h TYR 246 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3kea h TYR 246 CO 0.02 0.13 -0.03 1.63 -1.05 0.00 0.00 178.16 178.85 3kea n LYS 247 N -4.16 0.08 -0.00 4.88 5.02 -0.92 -2.58 118.16 120.47 3kea n LYS 247 Ca -0.02 0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 3kea n LYS 247 Cb 0.21 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 3kea n LYS 247 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3kea n SER 248 N -1.73 0.89 -4.70 4.39 2.88 -0.70 -4.79 113.62 109.86 3kea n SER 248 Ca 0.06 -0.60 -0.39 0.00 -1.33 0.00 0.00 58.87 56.61 3kea n SER 248 Cb 0.37 1.10 -0.06 0.00 -0.75 0.00 0.00 64.21 64.87 3kea n SER 248 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3kea s ASP 249 N -2.24 6.78 0.49 -3.46 -1.08 -0.61 -4.94 116.67 111.61 3kea s ASP 249 Ca 0.02 0.94 0.25 0.00 -0.52 0.00 0.00 52.55 53.25 3kea s ASP 249 Cb 0.08 -2.35 1.26 0.00 -1.46 0.00 0.00 42.92 40.45 3kea s ASP 249 CO 0.44 -0.12 1.99 0.77 0.52 0.00 0.00 175.17 178.76 3kea h SER 250 N 6.97 0.00 0.16 -0.34 4.64 -1.91 0.43 113.55 123.50 3kea h SER 250 Ca -0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.93 3kea h SER 250 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3kea h SER 250 CO 0.76 0.17 -0.03 0.22 -0.87 0.00 0.00 176.83 177.08 3kea h TYR 251 N 0.00 0.00 0.00 4.77 3.20 -1.94 -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 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3kea h TYR 251 CO 0.00 0.03 -0.38 0.25 -1.64 0.00 0.00 178.16 176.42 3kea n THR 252 N -3.53 0.00 0.21 1.81 -2.24 -0.09 -4.85 114.28 105.58 3kea n THR 252 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 3kea n THR 252 Cb 0.13 0.16 0.44 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.69 -0.78 2.10 0.04 -1.55 116.57 115.69 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 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3kea h LYS 253 CO 0.00 0.29 0.00 -0.25 -2.00 0.00 0.00 179.45 177.49 3kea n ASP 254 N -4.05 4.06 -4.77 7.07 8.00 -1.26 -4.53 116.55 121.07 3kea n ASP 254 Ca -0.02 -2.15 -0.35 0.00 0.71 0.00 0.00 54.79 52.98 3kea n ASP 254 Cb 0.35 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.27 3.78 0.23 0.64 1.43 -0.58 -4.94 118.68 117.96 3kea s LEU 255 Ca 0.48 2.23 0.01 0.00 -1.03 0.00 0.00 54.13 55.82 3kea s LEU 255 Cb 0.27 -4.53 0.25 0.00 0.03 0.00 0.00 46.19 42.21 3kea s LEU 255 CO 0.29 -1.23 1.59 0.44 0.23 0.00 0.00 176.35 177.67 3kea h ASP 256 N 1.28 0.46 0.70 2.29 3.32 -1.93 -1.96 116.42 120.58 3kea h ASP 256 Ca -0.50 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.29 3kea h ASP 256 Cb 1.27 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3kea h ASP 256 CO 0.57 0.87 -0.16 -0.29 -1.72 0.00 0.00 179.24 178.51 3kea h ILE 257 N 0.34 0.48 0.00 0.35 2.10 -1.92 -0.84 117.51 118.02 3kea h ILE 257 Ca 0.02 -0.81 -0.11 0.00 1.08 0.00 0.00 64.86 65.04 3kea h ILE 257 Cb 0.97 1.56 -0.02 0.00 -1.09 0.00 0.00 36.82 38.24 3kea h ILE 257 CO 0.08 0.15 -0.69 0.58 -1.08 0.00 0.00 178.15 177.20 3kea h VAL 258 N 0.00 0.96 -0.35 2.19 2.07 -1.77 -3.31 116.25 116.05 3kea h VAL 258 Ca -0.00 -1.97 0.06 0.00 0.82 0.00 0.00 66.70 65.61 3kea h VAL 258 Cb 0.55 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 3kea h VAL 258 CO 0.02 0.33 -0.48 0.11 0.02 0.00 0.00 177.57 177.56 3kea h LYS 259 N -1.00 -0.38 -2.31 1.57 1.57 -1.32 -3.09 116.57 111.60 3kea h LYS 259 Ca -0.17 0.03 -0.81 0.00 -1.87 0.00 0.00 60.65 57.83 3kea h LYS 259 Cb 1.00 0.09 -0.27 0.00 0.08 0.00 0.00 32.23 33.13 3kea h LYS 259 CO -0.10 -0.26 1.06 0.09 -0.57 0.00 0.00 179.45 179.67 3kea n ASN 260 N -5.41 7.32 -4.92 0.86 3.02 -0.33 -4.99 115.26 110.81 3kea n ASN 260 Ca -0.02 -3.65 -0.28 0.00 -0.03 0.00 0.00 54.58 50.60 3kea n ASN 260 Cb 0.35 -1.18 -0.03 0.00 -0.61 0.00 0.00 39.78 38.31 3kea n ASN 260 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kea s ASN 261 N -1.32 6.41 0.00 6.41 2.20 -1.17 -4.84 114.94 122.62 3kea s ASN 261 Ca 0.39 0.54 0.22 0.00 -0.94 0.00 0.00 52.86 53.06 3kea s ASN 261 Cb 0.18 -2.07 0.52 0.00 -2.00 0.00 0.00 41.25 37.88 3kea s ASN 261 CO -0.11 -0.13 1.44 0.29 -2.94 0.00 0.00 177.10 175.66 3kea n LYS 262 N -0.86 2.30 -0.08 3.55 4.76 -1.26 -4.41 118.16 122.16 3kea n LYS 262 Ca -0.03 -1.98 -0.17 0.00 -2.87 0.00 0.00 58.31 53.26 3kea n LYS 262 Cb 0.54 -1.47 -0.12 0.00 -1.84 0.00 0.00 35.03 32.13 3kea n LYS 262 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3kea h LEU 263 N 3.72 0.00 -1.16 -0.35 4.07 -1.97 -3.36 115.31 116.25 3kea h LEU 263 Ca 0.00 -0.80 0.25 0.00 0.08 0.00 0.00 57.88 57.41 3kea h LEU 263 Cb 0.83 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.46 3kea h LEU 263 CO 0.00 1.17 0.63 0.44 -1.08 0.00 0.00 178.44 179.60 3kea h ASP 264 N -1.00 0.59 -0.04 -0.43 3.32 -1.98 0.13 116.42 116.99 3kea h ASP 264 Ca -0.12 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kea h ASP 264 Cb 1.09 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3kea h ASP 264 CO -0.08 0.11 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.39 3kea h GLU 265 N 0.52 -0.07 -0.82 3.56 4.57 -1.83 -1.98 114.58 118.52 3kea h GLU 265 Ca 0.62 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.82 3kea h GLU 265 Cb 1.32 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.88 3kea h GLU 265 CO -0.39 -0.05 0.54 0.82 -1.18 0.00 0.00 179.01 178.75 3kea h ILE 266 N -0.08 1.17 -0.54 2.32 1.08 -1.01 -2.11 117.51 118.35 3kea h ILE 266 Ca 0.01 -0.37 0.09 0.00 -0.39 0.00 0.00 64.86 64.20 3kea h ILE 266 Cb 0.10 0.01 -0.07 0.00 -3.07 0.00 0.00 36.82 33.78 3kea h ILE 266 CO -0.08 0.20 0.12 0.40 -0.69 0.00 0.00 178.15 178.10 3kea h ILE 267 N 1.07 0.70 0.00 -0.67 1.08 -0.90 -2.89 117.51 115.91 3kea h ILE 267 Ca 0.31 -0.09 -0.10 0.00 -0.39 0.00 0.00 64.86 64.59 3kea h ILE 267 Cb -0.07 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 3kea h ILE 267 CO -0.09 0.05 -0.48 0.77 -0.69 0.00 0.00 178.15 177.71 3kea h SER 268 N 0.27 0.00 1.75 1.72 4.64 -0.67 -3.06 113.55 118.20 3kea h SER 268 Ca 0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3kea h SER 268 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kea h SER 268 CO -0.35 0.48 -0.00 0.11 -0.87 0.00 0.00 176.83 176.20 3kea h LYS 269 N 0.00 0.00 -5.39 4.77 1.57 -1.29 -3.45 116.57 112.78 3kea h LYS 269 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.11 3kea h LYS 269 Cb 1.15 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.18 3kea h LYS 269 CO 0.06 0.00 -0.79 -0.80 -0.57 0.00 0.00 179.45 177.36 3kea s ASN 270 N -6.08 3.84 0.09 0.86 -0.87 -1.17 -5.03 114.94 106.59 3kea s ASN 270 Ca 0.05 -0.36 -0.25 0.00 -1.57 0.00 0.00 52.86 50.73 3kea s ASN 270 Cb 0.06 -1.52 -0.14 0.00 -0.02 0.00 0.00 41.25 39.63 3kea s ASN 270 CO 0.64 0.18 1.71 0.07 -2.57 0.00 0.00 177.10 177.12 3kea h LYS 271 N 6.62 -0.20 -0.62 -0.60 2.10 -1.87 -1.04 116.57 120.96 3kea h LYS 271 Ca -0.26 0.01 0.12 0.00 -2.00 0.00 0.00 60.65 58.53 3kea h LYS 271 Cb 1.21 0.05 -0.09 0.00 -0.90 0.00 0.00 32.23 32.50 3kea h LYS 271 CO 0.54 -0.13 0.13 1.05 -2.00 0.00 0.00 179.45 179.03 3kea h GLU 272 N -0.21 0.25 -0.42 0.07 4.11 -1.95 0.90 114.58 117.33 3kea h GLU 272 Ca -0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 3kea h GLU 272 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3kea h GLU 272 CO 0.00 0.17 0.10 -0.07 0.07 0.00 0.00 179.01 179.27 3kea h LEU 273 N 0.26 0.64 -0.85 3.06 4.07 -1.75 -2.99 115.31 117.76 3kea h LEU 273 Ca 0.33 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 3kea h LEU 273 Cb 0.50 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 3kea h LEU 273 CO -0.42 0.71 0.04 0.03 -1.08 0.00 0.00 178.44 177.72 3kea h ARG 274 N 0.54 0.90 0.00 1.13 3.08 -0.78 0.66 114.38 119.91 3kea h ARG 274 Ca 0.13 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3kea h ARG 274 Cb 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kea h ARG 274 CO 0.00 0.87 0.00 -0.11 -1.07 0.00 0.00 179.97 179.66 3kea n LEU 275 N -4.21 0.00 0.00 3.04 0.00 0.27 -1.68 117.00 114.42 3kea n LEU 275 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 3kea n LEU 275 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.72 3kea n LEU 275 CO 0.42 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.81 3kea n TYR 277 N -0.16 0.00 0.09 1.96 9.36 0.22 -2.30 117.16 126.33 3kea n TYR 277 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 3kea n TYR 277 Cb 0.00 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 38.75 3kea n TYR 277 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3kea h VAL 278 N 0.00 1.47 0.00 2.97 2.07 -1.59 -2.93 116.25 118.24 3kea h VAL 278 Ca 0.00 -2.44 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 3kea h VAL 278 Cb 0.00 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3kea h VAL 278 CO 0.00 0.71 -0.08 -1.13 0.02 0.00 0.00 177.57 177.09 3kea h ASN 279 N 0.11 0.00 0.89 0.57 -0.73 -1.72 -2.75 115.58 111.96 3kea h ASN 279 Ca -0.03 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 57.97 3kea h ASN 279 Cb 1.37 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.93 3kea h ASN 279 CO 0.12 0.08 -0.81 0.00 -0.37 0.00 0.00 177.43 176.44 3kea h VAL 281 N 0.00 0.00 0.00 0.00 2.07 -1.34 -3.50 116.25 113.49 3kea h VAL 281 Ca -0.01 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3kea h VAL 281 Cb 1.48 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3kea h VAL 281 CO 0.11 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.87