#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuu h HIS -1 N 0.00 0.00 -0.52 1.57 -0.00 -2.12 -3.11 115.15 110.97 2nuu h HIS -1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2nuu h HIS -1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2nuu h HIS -1 CO 0.00 0.43 0.00 -2.39 -0.00 0.00 0.00 177.93 175.97 2nuu n HIS 0 N -3.53 0.68 -1.90 6.12 -0.00 -1.26 -4.94 115.22 110.39 2nuu n HIS 0 Ca -0.00 -0.34 -0.33 0.00 -0.00 0.00 0.00 57.72 57.05 2nuu n HIS 0 Cb 0.55 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.57 2nuu n HIS 0 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2nuu s HIS 1 N -1.32 2.85 -0.05 -1.40 5.65 -1.18 -5.06 115.29 114.78 2nuu s HIS 1 Ca 0.41 1.52 -0.31 0.00 0.25 0.00 0.00 55.06 56.93 2nuu s HIS 1 Cb 0.22 -3.07 0.07 0.00 -1.18 0.00 0.00 32.58 28.63 2nuu s HIS 1 CO 0.30 -1.35 0.68 -3.38 -0.65 0.00 0.00 174.74 170.34 2nuu s HIS 2 N -2.44 -0.65 0.51 3.88 -0.00 -1.26 -5.09 115.29 110.24 2nuu s HIS 2 Ca 0.65 1.11 -0.20 0.00 -0.00 0.00 0.00 55.06 56.61 2nuu s HIS 2 Cb -0.18 0.41 -0.08 0.00 -0.00 0.00 0.00 32.58 32.74 2nuu s HIS 2 CO 0.40 -0.61 1.07 0.00 -0.00 0.00 0.00 174.74 175.60 2nuu s ALA 3 N -1.23 2.81 -0.15 -1.38 0.00 -1.26 -5.03 121.76 115.51 2nuu s ALA 3 Ca -0.11 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 2nuu s ALA 3 Cb -0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2nuu s ALA 3 CO 0.09 -0.48 0.13 0.54 0.00 0.00 0.00 175.76 176.04 2nuu s VAL 4 N -1.90 5.40 0.19 0.00 0.11 -1.26 -4.73 120.40 118.22 2nuu s VAL 4 Ca 0.69 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.62 2nuu s VAL 4 Cb -0.19 -3.39 -0.08 0.00 -1.53 0.00 0.00 36.38 31.19 2nuu s VAL 4 CO 0.23 0.55 1.08 0.00 -3.33 0.00 0.00 175.10 173.62 2nuu s ALA 5 N -0.49 3.36 -0.15 1.54 0.00 -1.26 -4.80 121.76 119.96 2nuu s ALA 5 Ca 0.12 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 2nuu s ALA 5 Cb -0.12 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2nuu s ALA 5 CO 0.02 -0.15 0.48 0.34 0.00 0.00 0.00 175.76 176.44 2nuu s ASP 6 N -0.30 6.62 0.48 0.00 -1.08 -0.33 -4.97 116.67 117.10 2nuu s ASP 6 Ca 0.48 0.74 0.20 0.00 -0.52 0.00 0.00 52.55 53.45 2nuu s ASP 6 Cb -0.29 -2.28 1.21 0.00 -1.46 0.00 0.00 42.92 40.10 2nuu s ASP 6 CO 0.35 -0.06 2.03 0.11 0.52 0.00 0.00 175.17 178.12 2nuu h LYS 7 N 6.99 0.00 -0.32 4.34 1.57 -1.96 -0.28 116.57 126.91 2nuu h LYS 7 Ca -0.38 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 2nuu h LYS 7 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2nuu h LYS 7 CO 0.75 0.16 -0.22 0.00 -0.57 0.00 0.00 179.45 179.56 2nuu h ALA 8 N 1.84 0.46 -0.09 3.86 0.00 -1.94 -0.29 119.26 123.11 2nuu h ALA 8 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2nuu h ALA 8 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2nuu h ALA 8 CO 0.02 0.43 -0.59 -0.44 0.00 0.00 0.00 179.25 178.67 2nuu h ASP 9 N 0.49 0.35 -0.25 0.00 3.32 -1.75 0.13 116.42 118.71 2nuu h ASP 9 Ca 0.06 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2nuu h ASP 9 Cb 0.78 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2nuu h ASP 9 CO 0.06 0.86 0.09 0.78 -1.72 0.00 0.00 179.24 179.32 2nuu h ASN 10 N 0.23 0.36 -0.02 6.45 2.35 -0.93 -0.36 115.58 123.66 2nuu h ASN 10 Ca -0.00 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2nuu h ASN 10 Cb 1.10 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 2nuu h ASN 10 CO 0.10 0.45 0.01 0.00 -1.65 0.00 0.00 177.43 176.33 2nuu h ALA 11 N 0.93 0.03 -0.19 -0.83 0.00 -0.88 -2.11 119.26 116.21 2nuu h ALA 11 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nuu h ALA 11 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2nuu h ALA 11 CO -0.00 -0.36 0.05 0.35 0.00 0.00 0.00 179.25 179.29 2nuu h PHE 12 N -0.18 0.09 0.00 0.00 3.57 -0.65 -2.45 116.94 117.32 2nuu h PHE 12 Ca 0.01 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2nuu h PHE 12 Cb 0.22 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2nuu h PHE 12 CO -0.00 0.04 -0.21 0.52 -2.23 0.00 0.00 178.31 176.44 2nuu h MET 13 N 0.14 0.00 0.10 1.11 2.86 -1.06 -0.20 114.93 117.87 2nuu h MET 13 Ca 0.08 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 2nuu h MET 13 Cb 0.06 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.74 2nuu h MET 13 CO -0.10 0.21 -0.90 0.52 1.06 0.00 0.00 176.91 177.70 2nuu h MET 14 N 0.00 0.43 -0.66 1.72 2.86 -1.22 -2.38 114.93 115.68 2nuu h MET 14 Ca -0.00 -0.60 -0.02 0.00 -2.06 0.00 0.00 59.70 57.02 2nuu h MET 14 Cb 0.66 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 2nuu h MET 14 CO 0.03 1.25 0.33 0.82 1.06 0.00 0.00 176.91 180.39 2nuu h ILE 15 N -0.10 1.22 -0.29 -1.22 1.08 -1.28 -1.66 117.51 115.26 2nuu h ILE 15 Ca -0.14 -0.61 -0.04 0.00 -0.39 0.00 0.00 64.86 63.68 2nuu h ILE 15 Cb 1.65 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.79 2nuu h ILE 15 CO 0.17 0.25 0.00 0.00 -0.69 0.00 0.00 178.15 177.89 2nuu h THR 17 N 0.43 1.26 -0.54 0.00 2.02 -0.86 -1.51 112.91 113.71 2nuu h THR 17 Ca 0.10 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 2nuu h THR 17 Cb 0.27 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2nuu h THR 17 CO 0.01 0.36 0.30 0.00 0.37 0.00 0.00 175.52 176.56 2nuu h ALA 18 N 0.89 1.52 -0.38 6.16 0.00 -0.59 -1.70 119.26 125.16 2nuu h ALA 18 Ca 0.12 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2nuu h ALA 18 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2nuu h ALA 18 CO 0.02 0.40 -0.37 -0.07 0.00 0.00 0.00 179.25 179.24 2nuu h LEU 19 N 0.74 0.99 -1.25 0.00 3.38 -1.01 -0.86 115.31 117.29 2nuu h LEU 19 Ca 0.19 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2nuu h LEU 19 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2nuu h LEU 19 CO -0.03 1.25 -0.28 0.58 0.09 0.00 0.00 178.44 180.05 2nuu h VAL 20 N 0.75 1.23 -0.07 1.22 2.07 -0.71 -2.10 116.25 118.63 2nuu h VAL 20 Ca 0.06 -1.11 -0.18 0.00 0.82 0.00 0.00 66.70 66.30 2nuu h VAL 20 Cb 0.97 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2nuu h VAL 20 CO 0.09 0.33 -0.72 -0.07 0.02 0.00 0.00 177.57 177.22 2nuu h LEU 21 N 0.14 0.44 -1.66 2.57 3.38 -1.16 -2.88 115.31 116.13 2nuu h LEU 21 Ca 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2nuu h LEU 21 Cb 0.57 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2nuu h LEU 21 CO 0.04 1.02 0.08 0.15 0.09 0.00 0.00 178.44 179.82 2nuu h PHE 22 N 0.25 0.29 -0.34 1.13 3.57 -0.52 0.15 116.94 121.47 2nuu h PHE 22 Ca -0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 2nuu h PHE 22 Cb 1.29 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 2nuu h PHE 22 CO 0.04 0.24 0.07 0.52 -2.23 0.00 0.00 178.31 176.95 2nuu h MET 23 N 0.30 0.50 0.00 1.11 2.86 -1.18 -1.35 114.93 117.16 2nuu h MET 23 Ca 0.08 -0.08 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 2nuu h MET 23 Cb 0.07 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2nuu h MET 23 CO -0.01 0.47 -1.65 2.41 1.06 0.00 0.00 176.91 179.19 2nuu n THR 24 N -4.34 1.53 -3.76 2.22 -1.04 -0.94 0.73 114.28 108.68 2nuu n THR 24 Ca 0.02 -0.13 -0.36 0.00 -2.04 0.00 0.00 64.05 61.53 2nuu n THR 24 Cb 0.19 -2.00 -0.11 0.00 -1.82 0.00 0.00 70.33 66.59 2nuu n THR 24 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2nuu s ILE 25 N -2.41 3.38 -2.23 12.58 -1.09 0.47 -3.34 121.20 128.57 2nuu s ILE 25 Ca -0.32 -2.22 0.20 0.00 -2.23 0.00 0.00 60.65 56.08 2nuu s ILE 25 Cb 0.09 -3.30 0.28 0.00 -1.58 0.00 0.00 42.46 37.95 2nuu s ILE 25 CO 0.55 -0.73 1.24 -0.81 -1.23 0.00 0.00 174.94 173.96 2nuu n PRO 26 N 4.40 2.10 0.00 2.79 -0.04 -1.15 -3.97 135.00 139.12 2nuu n PRO 26 Ca -0.01 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 2nuu n PRO 26 Cb 0.41 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2nuu n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nuu n GLY 27 N 1.19 -1.13 0.25 0.55 0.00 -0.52 -0.79 105.19 104.73 2nuu n GLY 27 Ca 0.15 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.48 2nuu n GLY 27 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nuu h ILE 28 N 0.00 0.99 -0.62 -0.61 6.09 0.24 -1.92 117.51 121.68 2nuu h ILE 28 Ca 0.00 -0.34 -0.08 0.00 -1.37 0.00 0.00 64.86 63.07 2nuu h ILE 28 Cb 0.00 1.19 -0.02 0.00 0.47 0.00 0.00 36.82 38.45 2nuu h ILE 28 CO 0.00 0.09 0.08 0.00 -3.07 0.00 0.00 178.15 175.25 2nuu h ALA 29 N 1.90 0.83 -0.17 0.18 0.00 -1.48 -0.49 119.26 120.03 2nuu h ALA 29 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 2nuu h ALA 29 Cb 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2nuu h ALA 29 CO 0.01 0.61 -0.56 -0.07 0.00 0.00 0.00 179.25 179.24 2nuu h LEU 30 N 0.96 0.79 0.30 0.00 3.38 -0.55 -0.39 115.31 119.80 2nuu h LEU 30 Ca 0.19 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2nuu h LEU 30 Cb 0.47 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2nuu h LEU 30 CO 0.02 1.25 -0.28 0.15 0.09 0.00 0.00 178.44 179.67 2nuu h PHE 31 N 0.37 -0.75 -0.34 1.13 3.57 -1.20 -1.52 116.94 118.20 2nuu h PHE 31 Ca -0.02 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2nuu h PHE 31 Cb 1.19 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2nuu h PHE 31 CO 0.09 -0.41 -0.19 1.88 -2.23 0.00 0.00 178.31 177.45 2nuu h TYR 32 N -0.61 0.85 -0.85 0.41 0.05 -1.17 -3.00 116.97 112.65 2nuu h TYR 32 Ca -0.01 -0.22 0.10 0.00 0.05 0.00 0.00 58.73 58.65 2nuu h TYR 32 Cb 0.55 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 38.02 2nuu h TYR 32 CO -0.17 0.94 0.49 0.78 -1.05 0.00 0.00 178.16 179.16 2nuu h GLY 33 N 0.50 1.33 2.00 3.88 0.00 -0.99 -1.70 103.07 108.09 2nuu h GLY 33 Ca 0.07 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 2nuu h GLY 33 CO 0.06 0.13 -0.50 -1.33 0.00 0.00 0.00 176.54 174.89 2nuu h GLY 34 N 0.82 0.00 2.00 4.60 0.00 -1.26 -3.17 103.07 106.06 2nuu h GLY 34 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 2nuu h GLY 34 CO -0.25 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.62 2nuu h LEU 35 N 0.00 0.00 0.00 3.11 3.38 -1.17 -2.39 115.31 118.24 2nuu h LEU 35 Ca -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.58 2nuu h LEU 35 Cb 0.91 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.68 2nuu h LEU 35 CO 0.07 0.08 -0.06 2.30 0.09 0.00 0.00 178.44 180.91 2nuu n ILE 36 N -3.17 0.00 -2.60 1.22 -5.35 -1.11 -3.73 119.36 104.63 2nuu n ILE 36 Ca 0.01 -1.52 -0.33 0.00 -0.27 0.00 0.00 62.75 60.64 2nuu n ILE 36 Cb 0.42 -0.60 -0.05 0.00 -1.74 0.00 0.00 39.64 37.67 2nuu n ILE 36 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2nuu s ARG 37 N -4.05 4.02 0.38 6.28 0.52 -1.26 -1.59 118.95 123.25 2nuu s ARG 37 Ca 0.47 1.12 0.16 0.00 -0.52 0.00 0.00 55.73 56.95 2nuu s ARG 37 Cb -0.04 -2.14 1.03 0.00 0.52 0.00 0.00 34.95 34.32 2nuu s ARG 37 CO 0.30 -0.22 1.78 0.78 0.02 0.00 0.00 175.30 177.96 2nuu h GLY 38 N 1.47 1.33 2.00 -3.53 0.00 -1.91 0.54 103.07 102.96 2nuu h GLY 38 Ca -0.48 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2nuu h GLY 38 CO 0.61 -0.12 0.00 0.58 0.00 0.00 0.00 176.54 177.60 2nuu n LYS 39 N -4.66 0.04 0.00 4.80 2.85 -1.26 -3.19 118.16 116.74 2nuu n LYS 39 Ca 0.24 0.32 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 2nuu n LYS 39 Cb 0.80 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 2nuu n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2nuu n ASN 40 N -1.68 0.97 -0.10 -5.58 3.02 0.14 -2.45 115.26 109.58 2nuu n ASN 40 Ca 0.03 -1.17 -0.07 0.00 -0.03 0.00 0.00 54.58 53.34 2nuu n ASN 40 Cb 0.16 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 2nuu n ASN 40 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2nuu h VAL 41 N 0.28 0.95 -0.97 2.41 3.04 -1.41 -2.67 116.25 117.88 2nuu h VAL 41 Ca 0.00 -0.11 0.08 0.00 -1.01 0.00 0.00 66.70 65.65 2nuu h VAL 41 Cb 0.21 0.59 -0.07 0.00 -2.01 0.00 0.00 31.29 30.01 2nuu h VAL 41 CO 0.00 0.06 0.63 -0.07 -1.01 0.00 0.00 177.57 177.18 2nuu h LEU 42 N 0.32 0.98 -1.16 3.16 3.38 -1.88 -0.99 115.31 119.12 2nuu h LEU 42 Ca 0.15 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2nuu h LEU 42 Cb 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2nuu h LEU 42 CO -0.13 0.60 0.58 0.77 0.09 0.00 0.00 178.44 180.35 2nuu h SER 43 N 1.09 0.92 -0.09 -0.43 4.64 -1.78 0.26 113.55 118.17 2nuu h SER 43 Ca 0.43 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 2nuu h SER 43 Cb 0.24 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2nuu h SER 43 CO -0.18 0.62 -0.12 -0.03 -0.87 0.00 0.00 176.83 176.25 2nuu h MET 44 N 1.07 0.24 -0.90 4.77 1.85 -1.06 -1.72 114.93 119.19 2nuu h MET 44 Ca 0.36 -0.14 0.02 0.00 -0.61 0.00 0.00 59.70 59.33 2nuu h MET 44 Cb 0.07 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.07 2nuu h MET 44 CO -0.11 0.70 0.59 -0.07 -0.40 0.00 0.00 176.91 177.61 2nuu h LEU 45 N -0.19 0.99 -0.22 3.39 3.38 -0.72 -1.50 115.31 120.44 2nuu h LEU 45 Ca 0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2nuu h LEU 45 Cb 0.67 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2nuu h LEU 45 CO 0.03 0.70 -0.15 0.74 0.09 0.00 0.00 178.44 179.85 2nuu h THR 46 N 1.17 1.31 -0.37 0.22 2.02 -0.52 -1.90 112.91 114.84 2nuu h THR 46 Ca 0.35 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.27 2nuu h THR 46 Cb -0.06 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2nuu h THR 46 CO -0.10 0.39 0.23 1.56 0.37 0.00 0.00 175.52 177.97 2nuu h GLN 47 N 0.19 0.46 -0.32 6.66 4.20 -1.06 0.80 115.11 126.05 2nuu h GLN 47 Ca 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2nuu h GLN 47 Cb 0.67 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2nuu h GLN 47 CO 0.04 0.30 0.12 0.28 -0.67 0.00 0.00 178.83 178.91 2nuu h VAL 48 N 0.47 1.19 -0.19 -0.54 2.07 -1.30 -0.16 116.25 117.78 2nuu h VAL 48 Ca 0.14 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2nuu h VAL 48 Cb -0.02 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2nuu h VAL 48 CO -0.05 0.20 0.08 0.74 0.02 0.00 0.00 177.57 178.55 2nuu h THR 49 N 0.36 1.16 -0.16 2.57 2.02 -1.05 -1.44 112.91 116.37 2nuu h THR 49 Ca 0.10 -0.49 -0.22 0.00 0.77 0.00 0.00 66.41 66.58 2nuu h THR 49 Cb 0.19 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2nuu h THR 49 CO -0.01 0.16 -0.76 0.58 0.37 0.00 0.00 175.52 175.86 2nuu h VAL 50 N 0.16 1.28 -0.28 3.16 2.07 -0.85 -2.36 116.25 119.43 2nuu h VAL 50 Ca 0.06 -1.95 -0.09 0.00 0.82 0.00 0.00 66.70 65.55 2nuu h VAL 50 Cb 0.17 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2nuu h VAL 50 CO -0.01 0.62 -0.21 0.71 0.02 0.00 0.00 177.57 178.71 2nuu h THR 51 N 0.54 1.26 -0.70 2.57 1.35 -1.03 -0.46 112.91 116.44 2nuu h THR 51 Ca -0.05 -1.20 0.03 0.00 -0.55 0.00 0.00 66.41 64.64 2nuu h THR 51 Cb 1.39 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.03 2nuu h THR 51 CO 0.16 0.39 0.43 0.15 -0.25 0.00 0.00 175.52 176.40 2nuu h PHE 52 N 0.47 0.81 -0.05 4.73 3.57 -1.23 0.11 116.94 125.35 2nuu h PHE 52 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2nuu h PHE 52 Cb 0.62 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2nuu h PHE 52 CO 0.02 0.46 0.01 0.00 -2.23 0.00 0.00 178.31 176.57 2nuu h ALA 53 N 1.30 0.06 -0.39 2.41 0.00 -0.81 -1.41 119.26 120.43 2nuu h ALA 53 Ca 0.28 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2nuu h ALA 53 Cb 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2nuu h ALA 53 CO -0.11 -0.31 0.07 1.25 0.00 0.00 0.00 179.25 180.15 2nuu h LEU 54 N -0.15 -0.00 -0.48 0.00 5.85 -0.76 -2.22 115.31 117.54 2nuu h LEU 54 Ca 0.01 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2nuu h LEU 54 Cb 0.26 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2nuu h LEU 54 CO 0.00 0.03 0.18 0.58 -0.34 0.00 0.00 178.44 178.90 2nuu h VAL 55 N 0.20 1.21 -0.41 1.05 2.07 -0.93 -1.41 116.25 118.03 2nuu h VAL 55 Ca 0.19 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2nuu h VAL 55 Cb 0.23 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2nuu h VAL 55 CO -0.25 0.25 0.12 0.00 0.02 0.00 0.00 177.57 177.71 2nuu h ILE 57 N 0.27 1.05 -0.80 0.00 1.08 -1.27 -2.94 117.51 114.89 2nuu h ILE 57 Ca 0.19 -0.73 0.09 0.00 -0.39 0.00 0.00 64.86 64.02 2nuu h ILE 57 Cb 0.20 1.50 -0.05 0.00 -3.07 0.00 0.00 36.82 35.40 2nuu h ILE 57 CO -0.22 0.17 0.52 -0.07 -0.69 0.00 0.00 178.15 177.87 2nuu h LEU 58 N -0.51 0.70 -0.40 1.44 3.38 -1.10 -1.19 115.31 117.63 2nuu h LEU 58 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nuu h LEU 58 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2nuu h LEU 58 CO 0.03 0.42 0.24 -0.25 0.09 0.00 0.00 178.44 178.97 2nuu h TRP 59 N 0.78 0.53 0.00 1.13 2.91 -0.91 -1.22 115.95 119.16 2nuu h TRP 59 Ca 0.36 -0.00 -0.14 0.00 1.13 0.00 0.00 58.89 60.24 2nuu h TRP 59 Cb 0.39 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2nuu h TRP 59 CO -0.00 0.38 -0.66 -0.39 -1.03 0.00 0.00 178.44 176.74 2nuu h VAL 60 N 0.53 1.31 0.18 2.65 -1.51 -1.23 -0.28 116.25 117.90 2nuu h VAL 60 Ca 0.14 -2.39 -0.01 0.00 -1.23 0.00 0.00 66.70 63.22 2nuu h VAL 60 Cb 0.01 2.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 2nuu h VAL 60 CO -0.03 0.65 -0.08 0.58 -1.23 0.00 0.00 177.57 177.46 2nuu h VAL 61 N 0.00 0.89 0.00 7.19 2.07 -1.03 -3.08 116.25 122.29 2nuu h VAL 61 Ca -0.01 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2nuu h VAL 61 Cb 1.29 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2nuu h VAL 61 CO 0.09 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2nuu n TYR 62 N -4.96 0.00 0.04 1.57 0.18 -0.70 -1.65 117.16 111.64 2nuu n TYR 62 Ca -0.08 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.58 2nuu n TYR 62 Cb 0.26 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.16 2nuu n TYR 62 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2nuu h GLY 63 N 0.00 -0.04 0.97 -7.48 0.00 -1.08 -1.81 103.07 93.63 2nuu h GLY 63 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2nuu h GLY 63 CO 0.00 -0.04 0.20 -1.82 0.00 0.00 0.00 176.54 174.88 2nuu h TYR 64 N -0.06 0.47 -0.22 5.60 3.20 -1.31 -0.63 116.97 124.02 2nuu h TYR 64 Ca 0.02 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2nuu h TYR 64 Cb 0.08 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2nuu h TYR 64 CO -0.11 0.35 0.11 1.03 -1.64 0.00 0.00 178.16 177.90 2nuu h SER 65 N 0.44 0.16 1.22 -2.11 0.87 -1.75 0.42 113.55 112.81 2nuu h SER 65 Ca 0.12 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2nuu h SER 65 Cb 0.03 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2nuu h SER 65 CO -0.02 0.13 0.00 -0.07 -0.53 0.00 0.00 176.83 176.33 2nuu h LEU 66 N 0.23 0.00 0.03 2.23 3.38 -1.20 -0.72 115.31 119.27 2nuu h LEU 66 Ca 0.09 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.67 2nuu h LEU 66 Cb 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2nuu h LEU 66 CO -0.06 0.00 -2.34 0.00 0.09 0.00 0.00 178.44 176.13 2nuu n ALA 67 N -1.89 1.28 -0.32 1.53 0.00 -0.25 -0.22 120.51 120.63 2nuu n ALA 67 Ca 0.03 -0.96 0.05 0.00 0.00 0.00 0.00 53.44 52.56 2nuu n ALA 67 Cb 0.35 -0.26 0.11 0.00 0.00 0.00 0.00 19.45 19.66 2nuu n ALA 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nuu n PHE 68 N -3.35 0.32 -3.27 0.00 3.01 0.14 -4.11 117.46 110.20 2nuu n PHE 68 Ca -0.42 -0.61 -0.29 0.00 1.01 0.00 0.00 57.45 57.14 2nuu n PHE 68 Cb 1.00 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 40.35 2nuu n PHE 68 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2nuu s GLY 69 N -1.33 1.87 0.34 1.37 0.00 -0.29 -4.98 107.32 104.29 2nuu s GLY 69 Ca 0.19 -0.51 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 2nuu s GLY 69 CO 0.08 -0.39 1.01 -1.83 0.00 0.00 0.00 173.10 171.96 2nuu s GLU 70 N -3.60 4.45 0.00 2.90 -1.05 -1.26 -3.77 118.70 116.37 2nuu s GLU 70 Ca 0.45 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 56.74 2nuu s GLU 70 Cb -0.11 -2.78 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 2nuu s GLU 70 CO 0.30 0.12 0.00 0.41 0.95 0.00 0.00 175.26 177.04 2nuu n GLY 71 N 0.61 -0.86 0.00 -3.83 0.00 -1.26 -3.42 105.19 96.43 2nuu n GLY 71 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2nuu n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nuu n ASN 72 N 0.00 0.00 0.07 1.61 0.23 -1.19 -4.98 115.26 111.00 2nuu n ASN 72 Ca 0.00 -0.26 0.13 0.00 -0.53 0.00 0.00 54.58 53.92 2nuu n ASN 72 Cb 0.00 0.00 0.48 0.00 -2.08 0.00 0.00 39.78 38.18 2nuu n ASN 72 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2nuu n ASN 73 N -0.79 0.53 -0.08 0.53 3.02 -1.26 -4.39 115.26 112.83 2nuu n ASN 73 Ca 0.00 0.55 -0.12 0.00 -0.03 0.00 0.00 54.58 54.97 2nuu n ASN 73 Cb 0.00 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.42 2nuu n ASN 73 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2nuu n PHE 74 N -1.99 0.00 -4.36 3.10 3.01 -1.26 -2.02 117.46 113.94 2nuu n PHE 74 Ca 0.06 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.33 2nuu n PHE 74 Cb 0.40 -0.57 -0.10 0.00 -0.01 0.00 0.00 39.48 39.19 2nuu n PHE 74 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2nuu s PHE 75 N -2.30 1.70 0.00 1.38 0.40 -1.26 -4.31 117.98 113.59 2nuu s PHE 75 Ca -0.21 -0.78 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2nuu s PHE 75 Cb 0.06 -0.95 0.00 0.00 0.51 0.00 0.00 43.02 42.64 2nuu s PHE 75 CO 0.33 0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.80 2nuu n GLY 76 N -0.46 1.52 3.51 4.36 0.00 0.70 -3.15 105.19 111.66 2nuu n GLY 76 Ca -0.06 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 2nuu n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s ASN 77 N -1.00 3.70 0.02 1.61 6.03 -1.11 -4.52 114.94 119.66 2nuu s ASN 77 Ca 0.00 -1.07 0.25 0.00 -1.03 0.00 0.00 52.86 51.00 2nuu s ASN 77 Cb 0.00 -0.34 0.48 0.00 -3.03 0.00 0.00 41.25 38.36 2nuu s ASN 77 CO 0.00 -0.06 1.40 -0.38 -2.03 0.00 0.00 177.10 176.03 2nuu n ILE 78 N -0.70 0.06 -0.27 0.54 5.41 -1.26 -3.30 119.36 119.84 2nuu n ILE 78 Ca -0.05 -0.05 0.23 0.00 1.00 0.00 0.00 62.75 63.88 2nuu n ILE 78 Cb 0.61 0.17 0.57 0.00 -0.71 0.00 0.00 39.64 40.28 2nuu n ILE 78 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2nuu h ASN 79 N 0.00 0.32 -1.85 4.38 -0.26 -1.96 -3.08 115.58 113.13 2nuu h ASN 79 Ca 0.00 0.05 -0.73 0.00 -0.56 0.00 0.00 56.30 55.06 2nuu h ASN 79 Cb 0.55 -0.01 -0.25 0.00 -1.06 0.00 0.00 38.32 37.54 2nuu h ASN 79 CO 0.00 0.10 0.97 0.79 -1.06 0.00 0.00 177.43 178.23 2nuu n TRP 80 N -4.48 2.73 -2.63 1.19 8.01 -1.26 -4.70 117.44 116.29 2nuu n TRP 80 Ca 0.22 -2.28 -0.41 0.00 -1.31 0.00 0.00 57.50 53.72 2nuu n TRP 80 Cb 0.85 -1.23 -0.04 0.00 -2.01 0.00 0.00 31.31 28.88 2nuu n TRP 80 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2nuu s LEU 81 N -3.75 4.51 -1.32 -0.99 1.02 -1.17 -3.03 118.68 113.96 2nuu s LEU 81 Ca 0.52 1.95 0.00 0.00 0.02 0.00 0.00 54.13 56.63 2nuu s LEU 81 Cb 0.41 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 43.02 2nuu s LEU 81 CO -0.37 -0.11 0.00 0.23 0.02 0.00 0.00 176.35 176.13 2nuu n MET 82 N 2.41 -1.78 -1.29 1.70 2.81 -0.66 0.05 117.12 120.36 2nuu n MET 82 Ca 0.02 0.74 -0.10 0.00 -1.81 0.00 0.00 57.70 56.55 2nuu n MET 82 Cb 0.47 -5.20 -0.04 0.00 -0.71 0.00 0.00 33.22 27.74 2nuu n MET 82 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2nuu n LEU 83 N -2.46 -0.47 -4.74 4.03 4.77 -1.17 -4.98 117.00 111.98 2nuu n LEU 83 Ca -0.15 0.24 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 2nuu n LEU 83 Cb 0.56 -2.10 0.08 0.00 -2.33 0.00 0.00 43.42 39.62 2nuu n LEU 83 CO 0.20 -0.76 0.79 -1.59 -1.33 0.00 0.00 177.39 174.70 2nuu s LYS 84 N -2.64 2.39 -0.18 3.23 -2.85 0.11 -2.86 119.74 116.95 2nuu s LYS 84 Ca 0.00 1.69 0.00 0.00 -1.00 0.00 0.00 55.97 56.66 2nuu s LYS 84 Cb 0.00 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2nuu s LYS 84 CO 0.00 -1.63 0.00 0.09 0.10 0.00 0.00 175.35 173.91 2nuu n ASN 85 N -2.49 -4.85 -4.12 0.03 3.02 -1.26 -4.39 115.26 101.19 2nuu n ASN 85 Ca 0.13 0.04 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 2nuu n ASN 85 Cb 0.50 -2.51 -0.12 0.00 -0.61 0.00 0.00 39.78 37.05 2nuu n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nuu s ILE 86 N -1.51 3.14 0.58 2.41 1.01 -1.13 -5.04 121.20 120.64 2nuu s ILE 86 Ca 0.00 -1.95 -0.21 0.00 0.00 0.00 0.00 60.65 58.49 2nuu s ILE 86 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2nuu s ILE 86 CO 0.00 -0.57 1.35 -0.62 0.00 0.00 0.00 174.94 175.10 2nuu n GLU 87 N 4.57 1.53 0.27 2.79 -0.58 -1.26 -4.89 120.64 123.07 2nuu n GLU 87 Ca -0.04 0.57 0.12 0.00 -0.42 0.00 0.00 57.16 57.40 2nuu n GLU 87 Cb 0.42 -2.58 0.76 0.00 -0.57 0.00 0.00 31.44 29.47 2nuu n GLU 87 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2nuu h LEU 88 N 1.17 0.00 -1.98 -4.62 5.85 -1.98 -1.76 115.31 111.99 2nuu h LEU 88 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2nuu h LEU 88 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2nuu h LEU 88 CO 0.56 0.08 0.00 0.35 -0.34 0.00 0.00 178.44 179.09 2nuu n THR 89 N -3.85 0.67 -1.99 1.05 -2.24 -1.26 -4.76 114.28 101.90 2nuu n THR 89 Ca -0.02 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.63 2nuu n THR 89 Cb 0.18 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 2nuu n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nuu s ALA 90 N -1.33 3.70 -0.20 6.98 0.00 -0.66 -4.93 121.76 125.31 2nuu s ALA 90 Ca 0.37 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 2nuu s ALA 90 Cb 0.19 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2nuu s ALA 90 CO 0.26 -0.74 -0.02 0.08 0.00 0.00 0.00 175.76 175.33 2nuu s VAL 91 N 0.70 3.69 -0.52 0.00 1.01 -1.26 -0.20 120.40 123.82 2nuu s VAL 91 Ca 0.65 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 2nuu s VAL 91 Cb -0.42 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 33.42 2nuu s VAL 91 CO 0.36 0.43 0.39 -0.32 0.00 0.00 0.00 175.10 175.95 2nuu s MET 92 N 1.16 2.57 4.55 2.72 0.00 0.61 -4.84 119.30 126.07 2nuu s MET 92 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 55.69 53.80 2nuu s MET 92 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 34.83 30.75 2nuu s MET 92 CO 0.00 -1.20 0.00 0.41 0.00 0.00 0.00 175.02 174.23 2nuu n GLY 93 N 4.66 1.63 0.42 2.11 0.00 -1.26 -3.03 105.19 109.72 2nuu n GLY 93 Ca -0.04 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.68 2nuu n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nuu n SER 94 N 7.65 1.47 -4.13 1.61 3.41 -1.26 -4.80 113.62 117.55 2nuu n SER 94 Ca 0.00 -2.82 -0.09 0.00 -0.26 0.00 0.00 58.87 55.70 2nuu n SER 94 Cb 0.00 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.48 2nuu n SER 94 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2nuu s ILE 95 N -1.87 0.28 0.41 -1.33 -4.36 -1.17 -1.18 121.20 111.99 2nuu s ILE 95 Ca 0.25 -1.88 -0.25 0.00 -0.26 0.00 0.00 60.65 58.51 2nuu s ILE 95 Cb 0.23 -1.78 -0.08 0.00 1.25 0.00 0.00 42.46 42.08 2nuu s ILE 95 CO -0.02 -0.75 1.16 -0.31 0.24 0.00 0.00 174.94 175.27 2nuu s TYR 96 N -3.90 3.03 0.40 1.37 1.51 -1.26 -0.28 117.35 118.21 2nuu s TYR 96 Ca 0.15 1.55 0.07 0.00 -1.01 0.00 0.00 57.07 57.83 2nuu s TYR 96 Cb 0.07 -3.38 0.82 0.00 -0.11 0.00 0.00 41.96 39.36 2nuu s TYR 96 CO -0.04 -1.33 2.02 0.37 -1.11 0.00 0.00 175.55 175.46 2nuu h GLN 97 N 2.49 0.51 -0.64 -0.62 4.15 -0.88 -1.80 115.11 118.31 2nuu h GLN 97 Ca -0.49 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 58.96 2nuu h GLN 97 Cb 1.24 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 2nuu h GLN 97 CO 0.62 0.39 0.43 1.88 -1.93 0.00 0.00 178.83 180.21 2nuu h TYR 98 N 0.51 0.59 -0.37 3.99 -1.99 -1.87 0.95 116.97 118.78 2nuu h TYR 98 Ca 0.13 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.75 2nuu h TYR 98 Cb 0.04 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 2nuu h TYR 98 CO 0.00 0.30 -0.26 0.82 -0.00 0.00 0.00 178.16 179.02 2nuu h ILE 99 N 0.57 1.28 -0.61 -2.88 2.04 -1.71 -2.42 117.51 113.79 2nuu h ILE 99 Ca 0.29 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.73 2nuu h ILE 99 Cb 0.38 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2nuu h ILE 99 CO -0.09 0.47 0.38 -0.74 0.00 0.00 0.00 178.15 178.17 2nuu h HIS 100 N 0.63 0.78 -0.22 1.37 2.76 -0.98 0.13 115.15 119.63 2nuu h HIS 100 Ca 0.07 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2nuu h HIS 100 Cb 0.84 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 2nuu h HIS 100 CO 0.06 0.52 -0.10 0.28 -1.30 0.00 0.00 177.93 177.40 2nuu h VAL 101 N 0.82 0.68 -0.40 5.26 2.07 -0.75 -1.06 116.25 122.88 2nuu h VAL 101 Ca 0.22 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 2nuu h VAL 101 Cb -0.05 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2nuu h VAL 101 CO -0.04 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.42 2nuu h ALA 102 N 1.13 1.02 0.11 1.67 0.00 -0.98 -0.76 119.26 121.44 2nuu h ALA 102 Ca 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2nuu h ALA 102 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2nuu h ALA 102 CO -0.26 0.59 -0.05 0.35 0.00 0.00 0.00 179.25 179.87 2nuu h PHE 103 N 0.66 -0.14 -0.06 0.00 3.57 -0.29 -1.97 116.94 118.70 2nuu h PHE 103 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2nuu h PHE 103 Cb 0.60 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2nuu h PHE 103 CO 0.03 0.18 -0.22 1.96 -2.23 0.00 0.00 178.31 178.03 2nuu h GLN 104 N -0.48 0.09 -0.59 1.11 1.08 -1.22 -2.55 115.11 112.56 2nuu h GLN 104 Ca -0.02 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2nuu h GLN 104 Cb 0.39 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 2nuu h GLN 104 CO 0.03 0.31 0.24 0.78 -0.95 0.00 0.00 178.83 179.24 2nuu h GLY 105 N 0.78 0.94 1.92 3.46 0.00 -1.00 -2.65 103.07 106.51 2nuu h GLY 105 Ca 0.02 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 2nuu h GLY 105 CO 0.03 0.48 -0.15 1.48 0.00 0.00 0.00 176.54 178.38 2nuu h SER 106 N 0.81 0.09 -0.37 0.19 4.64 -0.92 -2.41 113.55 115.58 2nuu h SER 106 Ca 0.20 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 2nuu h SER 106 Cb 0.19 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2nuu h SER 106 CO -0.02 0.26 0.11 -0.26 -0.87 0.00 0.00 176.83 176.06 2nuu h PHE 107 N 0.10 0.59 -0.95 4.77 -1.00 -1.39 -2.37 116.94 116.68 2nuu h PHE 107 Ca 0.02 -0.06 0.08 0.00 2.81 0.00 0.00 57.97 60.82 2nuu h PHE 107 Cb 0.33 -0.17 -0.07 0.00 3.61 0.00 0.00 35.95 39.65 2nuu h PHE 107 CO 0.00 0.57 0.60 0.00 -1.61 0.00 0.00 178.31 177.87 2nuu h ALA 108 N 0.96 1.35 0.05 2.45 0.00 -1.23 -2.14 119.26 120.70 2nuu h ALA 108 Ca 0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2nuu h ALA 108 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nuu h ALA 108 CO -0.00 0.32 -0.02 0.00 0.00 0.00 0.00 179.25 179.55 2nuu h ILE 110 N -0.27 1.20 -0.81 0.00 6.09 -1.21 -1.17 117.51 121.34 2nuu h ILE 110 Ca -0.01 -0.75 -0.02 0.00 -1.37 0.00 0.00 64.86 62.71 2nuu h ILE 110 Cb 0.24 0.79 -0.04 0.00 0.47 0.00 0.00 36.82 38.29 2nuu h ILE 110 CO 0.01 0.27 0.42 0.74 -3.07 0.00 0.00 178.15 176.52 2nuu h THR 111 N 0.63 1.25 -0.09 2.19 2.02 -1.33 -0.84 112.91 116.73 2nuu h THR 111 Ca 0.14 -0.64 -0.20 0.00 0.77 0.00 0.00 66.41 66.48 2nuu h THR 111 Cb 0.28 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2nuu h THR 111 CO 0.00 0.28 -0.76 0.58 0.37 0.00 0.00 175.52 175.99 2nuu h VAL 112 N 1.13 1.35 -0.45 3.16 2.07 -1.15 -3.19 116.25 119.17 2nuu h VAL 112 Ca 0.28 -2.12 0.04 0.00 0.82 0.00 0.00 66.70 65.72 2nuu h VAL 112 Cb 0.07 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2nuu h VAL 112 CO -0.04 0.65 0.22 1.23 0.02 0.00 0.00 177.57 179.64 2nuu h GLY 113 N 1.06 0.61 0.45 2.17 0.00 -0.75 -2.70 103.07 103.92 2nuu h GLY 113 Ca -0.04 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.24 2nuu h GLY 113 CO 0.14 0.10 0.38 1.41 0.00 0.00 0.00 176.54 178.57 2nuu h LEU 114 N 0.44 0.50 -0.65 3.11 3.38 -1.16 -2.76 115.31 118.17 2nuu h LEU 114 Ca 0.20 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.31 2nuu h LEU 114 Cb 0.11 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2nuu h LEU 114 CO -0.14 0.28 0.32 0.40 0.09 0.00 0.00 178.44 179.38 2nuu h ILE 115 N 0.64 0.87 -1.00 1.22 2.04 -1.49 -2.87 117.51 116.92 2nuu h ILE 115 Ca 0.37 -0.19 0.25 0.00 1.00 0.00 0.00 64.86 66.29 2nuu h ILE 115 Cb 0.40 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 2nuu h ILE 115 CO -0.28 0.10 0.66 0.58 0.00 0.00 0.00 178.15 179.21 2nuu h VAL 116 N 0.56 0.57 -0.38 1.67 2.07 -1.48 -1.78 116.25 117.50 2nuu h VAL 116 Ca 0.31 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.80 2nuu h VAL 116 Cb 0.30 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2nuu h VAL 116 CO -0.25 0.07 0.27 1.23 0.02 0.00 0.00 177.57 178.91 2nuu h GLY 117 N 0.37 0.09 1.63 2.17 0.00 -1.64 -1.67 103.07 104.03 2nuu h GLY 117 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2nuu h GLY 117 CO -0.23 0.02 -0.31 0.00 0.00 0.00 0.00 176.54 176.02 2nuu h ALA 118 N 1.81 0.82 -0.01 3.60 0.00 -1.52 -2.96 119.26 121.00 2nuu h ALA 118 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2nuu h ALA 118 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2nuu h ALA 118 CO -0.01 0.00 -0.37 1.28 0.00 0.00 0.00 179.25 180.14 2nuu n LEU 119 N -2.53 1.60 -4.42 0.00 4.77 -0.65 -4.35 117.00 111.42 2nuu n LEU 119 Ca 0.04 -0.54 -0.47 0.00 -0.03 0.00 0.00 56.01 55.00 2nuu n LEU 119 Cb 0.48 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 2nuu n LEU 119 CO 0.34 0.30 0.05 0.00 -1.33 0.00 0.00 177.39 176.75 2nuu n ALA 120 N -0.28 -2.52 -0.17 -1.18 0.00 -1.11 -3.38 120.51 111.87 2nuu n ALA 120 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 2nuu n ALA 120 Cb 0.42 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2nuu n ALA 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nuu n GLU 121 N 0.97 0.00 0.00 0.00 1.02 -1.26 -4.69 120.64 116.68 2nuu n GLU 121 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2nuu n GLU 121 Cb 0.27 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2nuu n GLU 121 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2nuu n ARG 122 N -2.00 0.00 -2.70 3.49 0.00 -1.24 -4.83 116.66 109.38 2nuu n ARG 122 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 2nuu n ARG 122 Cb 0.00 -0.32 -0.04 0.00 -0.00 0.00 0.00 32.46 32.10 2nuu n ARG 122 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2nuu s ILE 123 N 0.00 4.64 0.02 8.89 1.10 -1.22 -1.61 121.20 133.03 2nuu s ILE 123 Ca 0.00 0.96 -0.23 0.00 -0.51 0.00 0.00 60.65 60.87 2nuu s ILE 123 Cb 0.00 -3.70 -0.05 0.00 0.15 0.00 0.00 42.46 38.85 2nuu s ILE 123 CO 0.00 -0.54 0.71 -0.13 -2.11 0.00 0.00 174.94 172.87 2nuu s ARG 124 N -3.79 4.43 0.19 3.50 0.52 0.13 -4.69 118.95 119.24 2nuu s ARG 124 Ca 0.55 0.94 -0.12 0.00 -0.52 0.00 0.00 55.73 56.58 2nuu s ARG 124 Cb -0.10 -3.36 0.19 0.00 0.52 0.00 0.00 34.95 32.20 2nuu s ARG 124 CO 0.28 0.30 1.73 0.35 0.02 0.00 0.00 175.30 177.98 2nuu h PHE 125 N 5.71 0.23 0.00 -0.53 3.04 -1.94 -1.18 116.94 122.27 2nuu h PHE 125 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 2nuu h PHE 125 Cb 1.20 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.69 2nuu h PHE 125 CO 0.65 0.04 0.00 0.66 -2.02 0.00 0.00 178.31 177.64 2nuu h SER 126 N 0.29 0.00 -0.06 0.41 4.64 -1.93 -2.79 113.55 114.10 2nuu h SER 126 Ca 0.25 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 2nuu h SER 126 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2nuu h SER 126 CO -0.30 0.00 -0.58 0.00 -0.87 0.00 0.00 176.83 175.09 2nuu h ALA 127 N 2.11 0.15 -0.22 5.18 0.00 -1.48 -2.83 119.26 122.17 2nuu h ALA 127 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 2nuu h ALA 127 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2nuu h ALA 127 CO 0.00 0.40 -0.19 -0.24 0.00 0.00 0.00 179.25 179.22 2nuu h VAL 128 N 0.07 1.23 -0.22 0.00 3.04 -1.16 -1.01 116.25 118.20 2nuu h VAL 128 Ca -0.05 -1.06 -0.09 0.00 -1.01 0.00 0.00 66.70 64.49 2nuu h VAL 128 Cb 1.24 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.79 2nuu h VAL 128 CO 0.12 0.33 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.75 2nuu h LEU 129 N 0.34 0.56 -0.68 3.16 3.38 -1.56 -1.70 115.31 118.81 2nuu h LEU 129 Ca 0.06 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 2nuu h LEU 129 Cb 0.53 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2nuu h LEU 129 CO 0.03 0.90 0.18 0.40 0.09 0.00 0.00 178.44 180.05 2nuu h ILE 130 N 0.22 1.26 -0.65 1.22 2.04 -1.37 -2.76 117.51 117.47 2nuu h ILE 130 Ca 0.04 -0.93 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 2nuu h ILE 130 Cb 0.73 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2nuu h ILE 130 CO 0.05 0.36 0.09 0.15 0.00 0.00 0.00 178.15 178.79 2nuu h PHE 131 N 1.02 1.15 -0.83 1.37 3.57 -1.13 -3.02 116.94 119.07 2nuu h PHE 131 Ca 0.22 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2nuu h PHE 131 Cb 0.35 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2nuu h PHE 131 CO 0.03 0.98 0.43 0.28 -2.23 0.00 0.00 178.31 177.80 2nuu h VAL 132 N 1.01 1.25 -0.12 1.41 2.07 -1.16 0.04 116.25 120.76 2nuu h VAL 132 Ca 0.20 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2nuu h VAL 132 Cb 0.46 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2nuu h VAL 132 CO 0.02 0.29 0.05 0.58 0.02 0.00 0.00 177.57 178.53 2nuu h VAL 133 N 1.17 0.99 0.39 2.57 2.07 -1.37 -0.91 116.25 121.16 2nuu h VAL 133 Ca 0.29 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 2nuu h VAL 133 Cb 0.07 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2nuu h VAL 133 CO -0.04 0.02 -0.19 0.58 0.02 0.00 0.00 177.57 177.96 2nuu h VAL 134 N 0.11 0.57 -0.71 2.57 2.07 -1.41 -2.83 116.25 116.63 2nuu h VAL 134 Ca 0.05 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2nuu h VAL 134 Cb 0.02 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2nuu h VAL 134 CO -0.04 0.08 0.47 -0.25 0.02 0.00 0.00 177.57 177.85 2nuu h TRP 135 N -0.81 0.88 -0.05 1.57 7.01 -1.00 0.11 115.95 123.66 2nuu h TRP 135 Ca -0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2nuu h TRP 135 Cb 0.53 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2nuu h TRP 135 CO 0.01 0.55 -0.02 1.25 -2.79 0.00 0.00 178.44 177.44 2nuu h LEU 136 N 0.94 0.11 0.13 0.65 5.85 -1.23 -0.11 115.31 121.66 2nuu h LEU 136 Ca 0.26 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2nuu h LEU 136 Cb -0.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2nuu h LEU 136 CO -0.06 0.49 -0.06 0.74 -0.34 0.00 0.00 178.44 179.21 2nuu h THR 137 N -0.27 0.96 -0.11 1.05 2.02 -1.29 -1.97 112.91 113.30 2nuu h THR 137 Ca 0.01 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2nuu h THR 137 Cb 0.45 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2nuu h THR 137 CO 0.01 0.09 0.00 0.18 0.37 0.00 0.00 175.52 176.17 2nuu n LEU 138 N -5.09 2.13 0.12 2.58 4.77 0.35 -4.45 117.00 117.41 2nuu n LEU 138 Ca -0.09 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2nuu n LEU 138 Cb 0.16 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2nuu n LEU 138 CO 0.33 0.40 -0.00 -0.24 -1.33 0.00 0.00 177.39 176.55 2nuu n SER 139 N 0.65 0.19 0.17 -1.43 2.88 -0.10 -4.79 113.62 111.19 2nuu n SER 139 Ca 0.17 0.39 -0.14 0.00 -1.33 0.00 0.00 58.87 57.96 2nuu n SER 139 Cb 0.43 0.20 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 2nuu n SER 139 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2nuu h TYR 140 N 0.00 -0.51 0.14 0.66 3.20 -1.25 -1.76 116.97 117.46 2nuu h TYR 140 Ca 0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2nuu h TYR 140 Cb 0.01 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 2nuu h TYR 140 CO 0.00 -0.30 -0.44 0.82 -1.64 0.00 0.00 178.16 176.60 2nuu h ILE 141 N -0.46 0.12 -0.28 1.81 2.04 -1.58 0.17 117.51 119.33 2nuu h ILE 141 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2nuu h ILE 141 Cb 0.40 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2nuu h ILE 141 CO -0.00 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.69 2nuu h PRO 142 N -0.69 0.43 -0.25 2.37 0.13 -1.74 0.54 132.00 132.78 2nuu h PRO 142 Ca 0.01 -0.08 -0.19 0.00 -0.87 0.00 0.00 66.00 64.87 2nuu h PRO 142 Cb 0.71 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2nuu h PRO 142 CO -0.24 0.47 -0.60 0.82 -0.23 0.00 0.00 178.00 178.22 2nuu h ILE 143 N 0.42 1.28 -0.19 -3.56 2.04 -1.07 -0.92 117.51 115.50 2nuu h ILE 143 Ca 0.09 -1.78 -0.08 0.00 1.00 0.00 0.00 64.86 64.09 2nuu h ILE 143 Cb 0.29 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2nuu h ILE 143 CO 0.01 0.58 -0.22 0.00 0.00 0.00 0.00 178.15 178.52 2nuu h ALA 144 N 0.64 1.29 0.00 1.87 0.00 -0.33 -1.64 119.26 121.09 2nuu h ALA 144 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 2nuu h ALA 144 Cb 1.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2nuu h ALA 144 CO 0.13 0.47 -0.74 1.25 0.00 0.00 0.00 179.25 180.37 2nuu h HIS 145 N 0.30 0.00 -0.22 0.00 -0.00 -0.73 0.05 115.15 114.56 2nuu h HIS 145 Ca 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.24 2nuu h HIS 145 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.96 2nuu h HIS 145 CO 0.01 0.74 -0.58 0.52 -0.00 0.00 0.00 177.93 178.62 2nuu h MET 146 N 0.00 0.69 0.00 5.26 2.07 -0.52 -0.02 114.93 122.41 2nuu h MET 146 Ca -0.01 -0.45 -0.36 0.00 -2.07 0.00 0.00 59.70 56.81 2nuu h MET 146 Cb 1.31 0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 31.05 2nuu h MET 146 CO 0.10 1.08 -1.95 0.28 1.07 0.00 0.00 176.91 177.48 2nuu n VAL 147 N -3.97 1.54 0.67 -2.22 0.31 -0.68 -1.06 118.33 112.92 2nuu n VAL 147 Ca -0.04 -0.24 0.07 0.00 -0.01 0.00 0.00 64.34 64.12 2nuu n VAL 147 Cb 0.63 -1.93 -0.08 0.00 -0.91 0.00 0.00 33.84 31.54 2nuu n VAL 147 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2nuu n TRP 148 N -4.28 0.00 -0.41 3.52 8.01 -0.10 -4.31 117.44 119.88 2nuu n TRP 148 Ca -0.44 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 55.85 2nuu n TRP 148 Cb 0.80 -0.01 0.33 0.00 -2.01 0.00 0.00 31.31 30.42 2nuu n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2nuu n GLY 149 N 1.36 2.47 1.41 6.99 0.00 -0.58 -4.93 105.19 111.92 2nuu n GLY 149 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2nuu n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nuu n GLY 150 N 1.26 0.69 0.00 -0.02 0.00 -1.14 -4.87 105.19 101.12 2nuu n GLY 150 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2nuu n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nuu n GLY 151 N -2.57 -0.94 0.35 -0.02 0.00 -0.08 -4.57 105.19 97.35 2nuu n GLY 151 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.34 2nuu n GLY 151 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2nuu n LEU 152 N 0.00 -0.67 0.17 0.99 7.94 -0.85 -0.83 117.00 123.75 2nuu n LEU 152 Ca 0.00 1.54 0.04 0.00 -1.11 0.00 0.00 56.01 56.47 2nuu n LEU 152 Cb 0.00 -0.31 0.29 0.00 0.53 0.00 0.00 43.42 43.94 2nuu n LEU 152 CO 0.00 -1.34 0.63 -0.07 -1.11 0.00 0.00 177.39 175.50 2nuu h LEU 153 N 0.00 0.00 -0.26 -1.96 3.38 -1.64 -2.08 115.31 112.75 2nuu h LEU 153 Ca 0.26 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.02 2nuu h LEU 153 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2nuu h LEU 153 CO -0.86 0.44 -0.80 0.00 0.09 0.00 0.00 178.44 177.31 2nuu h ALA 154 N 1.56 0.43 0.00 1.53 0.00 0.12 -2.10 119.26 120.80 2nuu h ALA 154 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2nuu h ALA 154 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2nuu h ALA 154 CO 0.06 0.74 -0.22 0.66 0.00 0.00 0.00 179.25 180.49 2nuu h SER 155 N 0.36 0.00 0.58 0.00 4.64 -0.73 -2.46 113.55 115.95 2nuu h SER 155 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2nuu h SER 155 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2nuu h SER 155 CO 0.15 0.22 -0.30 1.41 -0.87 0.00 0.00 176.83 177.44 2nuu n HIS 156 N -3.75 0.00 -1.73 4.77 -0.00 -0.80 -4.97 115.22 108.74 2nuu n HIS 156 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2nuu n HIS 156 Cb 0.33 -0.29 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 2nuu n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2nuu n GLY 157 N 1.46 0.55 3.72 -1.41 0.00 -0.93 -4.98 105.19 103.60 2nuu n GLY 157 Ca 0.08 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 2nuu n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nuu s ALA 158 N -2.00 2.11 -0.34 4.61 0.00 -0.83 -4.99 121.76 120.32 2nuu s ALA 158 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2nuu s ALA 158 Cb 0.00 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 19.72 2nuu s ALA 158 CO 0.00 -1.90 0.06 -0.51 0.00 0.00 0.00 175.76 173.41 2nuu s LEU 159 N -5.14 4.51 -0.35 0.00 1.43 -1.26 -4.93 118.68 112.94 2nuu s LEU 159 Ca 0.75 -1.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.09 2nuu s LEU 159 Cb -0.30 -1.70 0.15 0.00 0.03 0.00 0.00 46.19 44.37 2nuu s LEU 159 CO 0.45 -0.37 0.38 -0.62 0.23 0.00 0.00 176.35 176.42 2nuu s ASP 160 N 1.30 0.95 0.03 2.29 -1.08 -1.26 -4.88 116.67 114.02 2nuu s ASP 160 Ca 0.03 -1.19 -0.30 0.00 -0.52 0.00 0.00 52.55 50.57 2nuu s ASP 160 Cb -0.20 0.73 -0.17 0.00 -1.46 0.00 0.00 42.92 41.82 2nuu s ASP 160 CO -0.05 -0.29 1.27 0.15 0.52 0.00 0.00 175.17 176.78 2nuu h PHE 161 N 7.45 -0.96 -0.02 -5.34 3.57 -1.59 -3.39 116.94 116.66 2nuu h PHE 161 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2nuu h PHE 161 Cb 1.08 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2nuu h PHE 161 CO 0.29 -0.59 -0.04 0.00 -2.23 0.00 0.00 178.31 175.75 2nuu n ALA 162 N -2.67 2.55 0.00 2.41 0.00 -0.26 -4.91 120.51 117.63 2nuu n ALA 162 Ca -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2nuu n ALA 162 Cb 0.42 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.43 2nuu n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nuu n GLY 163 N 0.77 1.00 0.35 0.00 0.00 -1.26 -4.85 105.19 101.20 2nuu n GLY 163 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2nuu n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nuu h GLY 164 N 0.00 1.08 0.00 -0.02 0.00 -1.89 -0.61 103.07 101.63 2nuu h GLY 164 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2nuu h GLY 164 CO 0.00 0.35 -0.74 -1.30 0.00 0.00 0.00 176.54 174.85 2nuu n THR 165 N -4.44 1.32 -0.36 4.70 -2.24 -1.26 -1.98 114.28 110.02 2nuu n THR 165 Ca 0.09 0.20 0.26 0.00 -2.27 0.00 0.00 64.05 62.34 2nuu n THR 165 Cb 0.09 -2.28 0.52 0.00 -2.10 0.00 0.00 70.33 66.56 2nuu n THR 165 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2nuu h VAL 166 N -0.90 0.36 0.00 2.28 2.07 -1.91 -1.92 116.25 116.22 2nuu h VAL 166 Ca 0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2nuu h VAL 166 Cb 0.74 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2nuu h VAL 166 CO 0.00 0.06 -0.54 0.52 0.02 0.00 0.00 177.57 177.62 2nuu n VAL 167 N -4.79 1.34 0.25 2.57 0.31 -0.28 -4.61 118.33 113.12 2nuu n VAL 167 Ca 0.30 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.79 2nuu n VAL 167 Cb 1.03 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 31.97 2nuu n VAL 167 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2nuu h HIS 168 N -0.49 -0.60 -0.34 3.52 3.86 -1.51 -1.93 115.15 117.66 2nuu h HIS 168 Ca -0.01 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 2nuu h HIS 168 Cb 0.53 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.18 2nuu h HIS 168 CO -0.20 -0.37 -0.06 0.82 0.86 0.00 0.00 177.93 178.97 2nuu h ILE 169 N -0.75 1.22 0.01 2.45 2.04 -1.46 0.45 117.51 121.48 2nuu h ILE 169 Ca -0.07 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 64.86 2nuu h ILE 169 Cb 0.49 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2nuu h ILE 169 CO 0.11 0.32 -0.13 -1.13 0.00 0.00 0.00 178.15 177.31 2nuu h ASN 170 N 0.53 -0.38 -0.12 1.72 -0.73 -1.41 -1.93 115.58 113.27 2nuu h ASN 170 Ca 0.10 0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.26 2nuu h ASN 170 Cb 0.44 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.19 2nuu h ASN 170 CO 0.02 -0.19 -0.22 0.00 -0.37 0.00 0.00 177.43 176.67 2nuu h ALA 171 N 0.72 0.18 -0.69 1.57 0.00 -1.18 -3.00 119.26 116.86 2nuu h ALA 171 Ca 0.04 -0.38 0.14 0.00 0.00 0.00 0.00 54.91 54.72 2nuu h ALA 171 Cb 0.28 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 2nuu h ALA 171 CO -0.12 0.14 0.16 0.00 0.00 0.00 0.00 179.25 179.42 2nuu h ALA 172 N 0.53 0.86 0.18 0.00 0.00 -0.80 0.07 119.26 120.09 2nuu h ALA 172 Ca 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2nuu h ALA 172 Cb 0.81 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2nuu h ALA 172 CO 0.05 -0.32 -0.09 0.82 0.00 0.00 0.00 179.25 179.71 2nuu h ILE 173 N 0.27 0.91 -0.98 0.00 1.08 -1.41 -1.07 117.51 116.32 2nuu h ILE 173 Ca 0.38 -0.46 0.15 0.00 -0.39 0.00 0.00 64.86 64.54 2nuu h ILE 173 Cb 0.61 1.19 -0.09 0.00 -3.07 0.00 0.00 36.82 35.46 2nuu h ILE 173 CO -0.47 0.11 0.61 0.00 -0.69 0.00 0.00 178.15 177.71 2nuu h ALA 174 N 0.31 1.68 -0.18 1.87 0.00 -1.26 -0.14 119.26 121.53 2nuu h ALA 174 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2nuu h ALA 174 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2nuu h ALA 174 CO 0.04 0.03 -0.20 0.78 0.00 0.00 0.00 179.25 179.90 2nuu h GLY 175 N 0.82 0.50 1.00 0.00 0.00 -0.82 -2.07 103.07 102.51 2nuu h GLY 175 Ca 0.51 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.33 2nuu h GLY 175 CO -0.29 0.47 0.55 -2.00 0.00 0.00 0.00 176.54 175.27 2nuu h LEU 176 N 0.11 0.95 -0.33 3.11 6.46 -0.28 -0.54 115.31 124.79 2nuu h LEU 176 Ca 0.03 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2nuu h LEU 176 Cb 0.75 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2nuu h LEU 176 CO 0.05 0.69 0.08 0.58 -0.62 0.00 0.00 178.44 179.22 2nuu h VAL 177 N 1.12 1.22 0.09 1.05 2.07 -1.07 -1.98 116.25 118.74 2nuu h VAL 177 Ca 0.30 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2nuu h VAL 177 Cb -0.12 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2nuu h VAL 177 CO -0.07 0.25 -0.19 1.23 0.02 0.00 0.00 177.57 178.81 2nuu h GLY 178 N 0.38 -1.10 -0.32 2.17 0.00 -0.69 -0.51 103.07 103.00 2nuu h GLY 178 Ca 0.10 0.52 0.23 0.00 0.00 0.00 0.00 47.33 48.18 2nuu h GLY 178 CO 0.00 -0.37 0.30 0.00 0.00 0.00 0.00 176.54 176.48 2nuu h ALA 179 N -1.28 1.33 -0.51 3.60 0.00 -1.14 0.27 119.26 121.54 2nuu h ALA 179 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2nuu h ALA 179 Cb 0.29 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2nuu h ALA 179 CO -0.08 -0.41 0.16 -0.92 0.00 0.00 0.00 179.25 178.00 2nuu h TYR 180 N 0.29 0.82 0.23 0.00 5.03 -1.05 0.12 116.97 122.42 2nuu h TYR 180 Ca 0.55 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.76 2nuu h TYR 180 Cb 1.08 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.13 2nuu h TYR 180 CO -0.20 0.71 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.17 2nuu h LEU 181 N 0.69 -0.26 -0.80 2.82 3.38 0.11 -3.22 115.31 118.03 2nuu h LEU 181 Ca 0.16 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2nuu h LEU 181 Cb 0.28 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2nuu h LEU 181 CO -0.00 0.03 -0.44 0.16 0.09 0.00 0.00 178.44 178.28 2nuu h ILE 182 N -0.57 1.32 0.00 1.22 3.07 -0.99 -3.50 117.51 118.06 2nuu h ILE 182 Ca -0.03 -1.60 0.00 0.00 1.55 0.00 0.00 64.86 64.78 2nuu h ILE 182 Cb 0.42 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2nuu h ILE 182 CO 0.05 0.49 0.00 0.61 -1.05 0.00 0.00 178.15 178.25 2nuu n GLY 183 N -0.06 -0.00 3.75 0.16 0.00 0.42 -5.00 105.19 104.46 2nuu n GLY 183 Ca -0.02 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 2nuu n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 184 N -1.07 2.91 0.52 1.61 1.02 -1.26 -4.83 119.74 118.64 2nuu s LYS 184 Ca 0.00 1.85 -0.20 0.00 0.02 0.00 0.00 55.97 57.64 2nuu s LYS 184 Cb 0.00 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.32 2nuu s LYS 184 CO 0.00 -1.26 1.09 1.03 -0.92 0.00 0.00 175.35 175.29 2nuu s ARG 185 N -3.35 3.53 0.19 1.68 0.52 -1.26 -4.94 118.95 115.31 2nuu s ARG 185 Ca 0.78 1.51 -0.31 0.00 -0.52 0.00 0.00 55.73 57.19 2nuu s ARG 185 Cb -0.31 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.02 2nuu s ARG 185 CO 0.34 -0.68 1.50 0.54 0.02 0.00 0.00 175.30 177.01 2nuu s VAL 186 N -1.85 2.71 0.00 3.52 0.11 -1.26 -2.28 120.40 121.35 2nuu s VAL 186 Ca 0.71 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 60.30 2nuu s VAL 186 Cb -0.21 -3.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2nuu s VAL 186 CO 0.24 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 2nuu n GLY 187 N 3.09 0.71 3.71 6.54 0.00 -1.26 -5.01 105.19 112.97 2nuu n GLY 187 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2nuu n GLY 187 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2nuu n PHE 188 N -2.03 2.67 -0.37 1.61 7.35 -0.97 -0.98 117.46 124.74 2nuu n PHE 188 Ca 0.00 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 2nuu n PHE 188 Cb 0.00 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.18 2nuu n PHE 188 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nuu n GLY 189 N 3.87 1.43 0.00 7.13 0.00 -1.26 -4.77 105.19 111.60 2nuu n GLY 189 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2nuu n GLY 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nuu n LYS 190 N -2.00 2.45 -4.28 1.61 4.01 -0.77 -5.10 118.16 114.09 2nuu n LYS 190 Ca 0.00 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.56 2nuu n LYS 190 Cb 0.00 -0.79 -0.08 0.00 -0.51 0.00 0.00 35.03 33.65 2nuu n LYS 190 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2nuu s GLU 191 N -1.31 2.15 -0.12 1.97 2.02 -0.15 -5.12 118.70 118.13 2nuu s GLU 191 Ca 0.00 -1.74 -0.21 0.00 0.02 0.00 0.00 54.97 53.04 2nuu s GLU 191 Cb 0.00 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2nuu s GLU 191 CO 0.00 0.09 0.61 0.00 0.02 0.00 0.00 175.26 175.98 2nuu s ALA 192 N -2.52 3.44 -0.61 5.21 0.00 -1.26 -4.88 121.76 121.14 2nuu s ALA 192 Ca 0.36 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.28 2nuu s ALA 192 Cb 0.00 -2.86 0.30 0.00 0.00 0.00 0.00 23.12 20.56 2nuu s ALA 192 CO 0.20 -0.20 0.87 1.19 0.00 0.00 0.00 175.76 177.82 2nuu n PHE 193 N 4.12 3.88 -2.65 0.00 3.01 -1.26 -5.08 117.46 119.48 2nuu n PHE 193 Ca -0.03 -4.06 -0.36 0.00 1.01 0.00 0.00 57.45 54.01 2nuu n PHE 193 Cb 0.51 -0.53 -0.05 0.00 -0.01 0.00 0.00 39.48 39.40 2nuu n PHE 193 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2nuu s LYS 194 N -3.04 4.29 0.12 -1.08 1.02 -1.26 -5.01 119.74 114.78 2nuu s LYS 194 Ca 0.45 1.40 -0.33 0.00 0.02 0.00 0.00 55.97 57.52 2nuu s LYS 194 Cb 0.22 -2.56 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 2nuu s LYS 194 CO -0.08 -0.01 1.73 -2.30 -0.92 0.00 0.00 175.35 173.77 2nuu n PRO 195 N 0.01 2.47 0.10 -1.68 -0.02 -1.24 -4.42 135.00 130.22 2nuu n PRO 195 Ca 0.04 0.90 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 2nuu n PRO 195 Cb 0.50 -2.73 0.25 0.00 -0.02 0.00 0.00 33.50 31.50 2nuu n PRO 195 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2nuu h HIS 196 N 7.40 0.25 -2.20 6.00 2.07 -0.76 -3.41 115.15 124.49 2nuu h HIS 196 Ca -0.46 -0.06 -0.43 0.00 -2.85 0.00 0.00 60.37 56.57 2nuu h HIS 196 Cb 1.24 -0.06 -0.34 0.00 2.57 0.00 0.00 27.41 30.82 2nuu h HIS 196 CO 0.72 0.57 -0.73 1.21 -3.07 0.00 0.00 177.93 176.63 2nuu s ASN 197 N -6.88 1.88 0.29 3.10 3.84 -1.16 -4.95 114.94 111.05 2nuu s ASN 197 Ca -0.04 -1.61 -0.01 0.00 0.21 0.00 0.00 52.86 51.40 2nuu s ASN 197 Cb 0.14 0.23 0.42 0.00 -0.55 0.00 0.00 41.25 41.49 2nuu s ASN 197 CO 0.76 -0.30 1.85 -0.07 -2.79 0.00 0.00 177.10 176.56 2nuu h LEU 198 N 7.30 0.79 -1.65 3.21 3.38 -1.80 -1.35 115.31 125.19 2nuu h LEU 198 Ca 0.01 -0.12 0.18 0.00 0.09 0.00 0.00 57.88 58.05 2nuu h LEU 198 Cb 1.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 2nuu h LEU 198 CO 0.25 0.73 0.54 -0.65 0.09 0.00 0.00 178.44 179.41 2nuu h PRO 199 N 0.84 0.31 -0.22 1.13 0.11 -1.97 -0.98 132.00 131.22 2nuu h PRO 199 Ca 0.19 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2nuu h PRO 199 Cb 0.22 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 2nuu h PRO 199 CO -0.01 0.20 -0.15 1.98 -0.21 0.00 0.00 178.00 179.81 2nuu h MET 200 N 0.32 0.48 -0.39 1.05 4.05 -1.60 -1.66 114.93 117.18 2nuu h MET 200 Ca 0.40 -0.23 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 2nuu h MET 200 Cb 1.09 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.84 2nuu h MET 200 CO -0.11 0.79 0.13 0.28 0.23 0.00 0.00 176.91 178.22 2nuu h VAL 201 N 0.18 0.87 -0.88 -5.77 2.07 -0.97 -0.89 116.25 110.86 2nuu h VAL 201 Ca 0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2nuu h VAL 201 Cb 0.67 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 2nuu h VAL 201 CO 0.04 0.05 0.55 0.15 0.02 0.00 0.00 177.57 178.38 2nuu h PHE 202 N 0.28 1.14 -0.54 1.57 3.57 -1.13 0.70 116.94 122.53 2nuu h PHE 202 Ca 0.18 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2nuu h PHE 202 Cb 0.17 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2nuu h PHE 202 CO -0.15 0.74 0.21 1.15 -2.23 0.00 0.00 178.31 178.02 2nuu h THR 203 N 1.20 1.22 -0.64 4.41 2.02 -0.75 -0.39 112.91 119.98 2nuu h THR 203 Ca 0.32 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 2nuu h THR 203 Cb -0.09 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2nuu h THR 203 CO -0.06 0.27 0.14 1.23 0.37 0.00 0.00 175.52 177.46 2nuu h GLY 204 N 0.74 1.12 0.97 2.16 0.00 -0.73 -1.94 103.07 105.39 2nuu h GLY 204 Ca 0.18 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2nuu h GLY 204 CO -0.01 0.67 -0.03 -0.84 0.00 0.00 0.00 176.54 176.33 2nuu h THR 205 N 0.96 0.96 -0.97 4.70 2.02 -0.58 -0.90 112.91 119.09 2nuu h THR 205 Ca 0.20 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.38 2nuu h THR 205 Cb 0.39 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 2nuu h THR 205 CO 0.01 0.02 0.62 0.00 0.37 0.00 0.00 175.52 176.54 2nuu h ALA 206 N 0.83 1.35 -0.15 6.16 0.00 -0.91 0.34 119.26 126.88 2nuu h ALA 206 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2nuu h ALA 206 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2nuu h ALA 206 CO 0.01 0.41 -0.55 0.82 0.00 0.00 0.00 179.25 179.95 2nuu h ILE 207 N 1.14 1.34 -0.47 0.00 2.04 -1.17 -0.73 117.51 119.65 2nuu h ILE 207 Ca 0.42 -1.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.40 2nuu h ILE 207 Cb 0.16 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2nuu h ILE 207 CO -0.17 0.55 0.03 -0.07 0.00 0.00 0.00 178.15 178.49 2nuu h LEU 208 N 0.33 0.78 0.43 1.44 3.38 -0.32 -0.99 115.31 120.36 2nuu h LEU 208 Ca 0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2nuu h LEU 208 Cb 1.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2nuu h LEU 208 CO 0.10 0.88 -0.21 0.22 0.09 0.00 0.00 178.44 179.52 2nuu h TYR 209 N 0.66 -0.54 -0.29 1.13 3.20 -0.74 -0.30 116.97 120.10 2nuu h TYR 209 Ca 0.14 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2nuu h TYR 209 Cb 0.46 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2nuu h TYR 209 CO 0.03 -0.31 0.17 0.82 -1.64 0.00 0.00 178.16 177.23 2nuu h ILE 210 N -0.62 1.11 0.00 1.81 1.08 -1.12 -2.46 117.51 117.31 2nuu h ILE 210 Ca -0.06 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.12 2nuu h ILE 210 Cb 0.47 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2nuu h ILE 210 CO 0.10 0.11 -0.07 1.23 -0.69 0.00 0.00 178.15 178.83 2nuu h GLY 211 N 0.36 0.00 2.00 5.37 0.00 -1.13 -2.50 103.07 107.17 2nuu h GLY 211 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2nuu h GLY 211 CO -0.02 0.00 0.00 -0.25 0.00 0.00 0.00 176.54 176.27 2nuu h TRP 212 N 0.00 0.00 -0.17 5.60 2.91 -0.54 -1.42 115.95 122.33 2nuu h TRP 212 Ca -0.00 0.00 -0.16 0.00 1.13 0.00 0.00 58.89 59.86 2nuu h TRP 212 Cb 0.12 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 2nuu h TRP 212 CO 0.00 0.00 -0.57 0.74 -1.03 0.00 0.00 178.44 177.58 2nuu h PHE 213 N 0.00 0.68 -0.18 2.65 0.04 -1.52 0.19 116.94 118.80 2nuu h PHE 213 Ca 0.00 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 2nuu h PHE 213 Cb 0.05 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2nuu h PHE 213 CO 0.00 0.98 -0.00 0.78 -0.60 0.00 0.00 178.31 179.47 2nuu h GLY 214 N 1.08 0.34 0.44 -1.45 0.00 -1.45 0.21 103.07 102.25 2nuu h GLY 214 Ca 0.00 -0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.11 2nuu h GLY 214 CO 0.11 0.23 -0.21 -2.75 0.00 0.00 0.00 176.54 173.92 2nuu h PHE 215 N 0.07 -0.55 0.00 5.60 3.57 -1.26 0.45 116.94 124.82 2nuu h PHE 215 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2nuu h PHE 215 Cb 0.39 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2nuu h PHE 215 CO 0.04 -0.29 -0.12 -0.91 -2.23 0.00 0.00 178.31 174.79 2nuu h ASN 216 N -0.30 0.00 -0.57 0.41 2.35 -0.60 -3.13 115.58 113.74 2nuu h ASN 216 Ca 0.08 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.40 2nuu h ASN 216 Cb 0.41 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2nuu h ASN 216 CO -0.23 0.75 0.10 0.00 -1.65 0.00 0.00 177.43 176.40 2nuu h ALA 217 N -0.64 1.04 0.00 -0.83 0.00 -0.69 -2.43 119.26 115.71 2nuu h ALA 217 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2nuu h ALA 217 Cb 0.46 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2nuu h ALA 217 CO -0.01 0.62 -0.10 0.78 0.00 0.00 0.00 179.25 180.53 2nuu h GLY 218 N 1.03 0.00 1.80 0.00 0.00 -0.05 -1.77 103.07 104.07 2nuu h GLY 218 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2nuu h GLY 218 CO 0.01 0.00 0.06 1.44 0.00 0.00 0.00 176.54 178.05 2nuu n SER 219 N -4.36 0.20 0.21 0.19 7.64 -0.91 -0.15 113.62 116.43 2nuu n SER 219 Ca -0.03 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.50 2nuu n SER 219 Cb 0.18 -0.57 0.31 0.00 -1.01 0.00 0.00 64.21 63.11 2nuu n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nuu h ALA 220 N 1.80 0.92 0.00 -0.43 0.00 -1.46 -3.47 119.26 116.61 2nuu h ALA 220 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2nuu h ALA 220 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2nuu h ALA 220 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2nuu n GLY 221 N 0.64 1.39 3.40 0.00 0.00 0.78 -4.93 105.19 106.47 2nuu n GLY 221 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2nuu n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nuu s THR 222 N -2.94 0.02 -1.26 2.61 -1.32 -1.26 -4.80 115.64 106.69 2nuu s THR 222 Ca 0.00 -0.19 -0.08 0.00 -1.21 0.00 0.00 61.69 60.21 2nuu s THR 222 Cb 0.00 -1.02 0.18 0.00 -1.51 0.00 0.00 72.50 70.15 2nuu s THR 222 CO 0.00 -0.11 1.89 0.00 -2.21 0.00 0.00 174.62 174.20 2nuu n ALA 223 N 0.01 5.55 -3.61 11.08 0.00 -1.26 -4.48 120.51 127.80 2nuu n ALA 223 Ca -0.17 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 48.91 2nuu n ALA 223 Cb 0.63 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.21 2nuu n ALA 223 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nuu n ASN 224 N 3.19 1.28 0.16 0.00 6.94 -1.26 -4.98 115.26 120.59 2nuu n ASN 224 Ca 0.41 -0.98 0.05 0.00 -0.02 0.00 0.00 54.58 54.05 2nuu n ASN 224 Cb 0.34 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.27 2nuu n ASN 224 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2nuu h GLU 225 N 0.00 0.19 -0.51 -3.83 9.09 -2.00 -2.12 114.58 115.41 2nuu h GLU 225 Ca 0.00 -0.02 -0.09 0.00 0.05 0.00 0.00 59.36 59.30 2nuu h GLU 225 Cb 0.00 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.04 2nuu h GLU 225 CO 0.00 0.21 -0.04 0.82 0.05 0.00 0.00 179.01 180.05 2nuu h ILE 226 N 0.19 1.26 -0.47 -1.06 1.08 -1.94 -0.40 117.51 116.17 2nuu h ILE 226 Ca 0.05 -1.11 -0.08 0.00 -0.39 0.00 0.00 64.86 63.32 2nuu h ILE 226 Cb 0.13 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 2nuu h ILE 226 CO 0.00 0.39 -0.05 0.00 -0.69 0.00 0.00 178.15 177.80 2nuu h ALA 227 N 1.14 1.03 -0.44 1.87 0.00 -1.62 -0.63 119.26 120.62 2nuu h ALA 227 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2nuu h ALA 227 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2nuu h ALA 227 CO 0.03 0.59 0.23 0.00 0.00 0.00 0.00 179.25 180.10 2nuu h ALA 228 N 1.20 0.56 -0.62 0.00 0.00 -0.96 -0.44 119.26 118.99 2nuu h ALA 228 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2nuu h ALA 228 Cb 0.52 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2nuu h ALA 228 CO 0.03 0.10 0.14 1.25 0.00 0.00 0.00 179.25 180.77 2nuu h LEU 229 N 0.57 0.93 -0.66 0.00 5.85 -0.75 -2.22 115.31 119.02 2nuu h LEU 229 Ca 0.15 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 2nuu h LEU 229 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2nuu h LEU 229 CO -0.02 0.90 -0.65 0.00 -0.34 0.00 0.00 178.44 178.33 2nuu h ALA 230 N 1.21 0.87 0.67 1.25 0.00 -0.92 -2.51 119.26 119.84 2nuu h ALA 230 Ca 0.20 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2nuu h ALA 230 Cb 0.35 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nuu h ALA 230 CO 0.00 0.79 -0.32 0.35 0.00 0.00 0.00 179.25 180.07 2nuu h PHE 231 N 0.07 -0.84 -0.52 0.00 3.04 -0.68 -2.10 116.94 115.91 2nuu h PHE 231 Ca -0.01 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.97 2nuu h PHE 231 Cb 1.16 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 39.90 2nuu h PHE 231 CO 0.01 -0.50 0.25 0.28 -2.02 0.00 0.00 178.31 176.33 2nuu h VAL 232 N -1.20 0.92 -0.26 1.41 2.07 -1.49 -0.73 116.25 116.97 2nuu h VAL 232 Ca -0.09 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2nuu h VAL 232 Cb 0.71 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2nuu h VAL 232 CO 0.15 0.09 0.18 0.78 0.02 0.00 0.00 177.57 178.79 2nuu h ASN 233 N 0.48 0.24 -0.12 0.57 2.35 -1.50 0.91 115.58 118.50 2nuu h ASN 233 Ca 0.24 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 2nuu h ASN 233 Cb 0.18 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2nuu h ASN 233 CO -0.19 0.17 -0.37 0.74 -1.65 0.00 0.00 177.43 176.13 2nuu h THR 234 N 0.28 1.29 -0.20 2.81 2.02 -0.42 -0.56 112.91 118.13 2nuu h THR 234 Ca 0.11 -1.52 -0.12 0.00 0.77 0.00 0.00 66.41 65.64 2nuu h THR 234 Cb 0.08 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2nuu h THR 234 CO -0.02 0.49 -0.36 0.58 0.37 0.00 0.00 175.52 176.58 2nuu h VAL 235 N 0.53 1.33 -0.07 3.16 2.07 -0.68 -2.99 116.25 119.60 2nuu h VAL 235 Ca 0.05 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 2nuu h VAL 235 Cb 0.88 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2nuu h VAL 235 CO 0.08 0.49 -0.00 0.58 0.02 0.00 0.00 177.57 178.73 2nuu h VAL 236 N 0.27 1.26 -0.59 2.57 2.07 -0.71 -2.57 116.25 118.55 2nuu h VAL 236 Ca 0.01 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2nuu h VAL 236 Cb 0.95 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 2nuu h VAL 236 CO 0.08 0.23 0.23 0.00 0.02 0.00 0.00 177.57 178.13 2nuu h ALA 237 N 0.71 0.77 0.57 1.67 0.00 -1.22 -1.17 119.26 120.59 2nuu h ALA 237 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2nuu h ALA 237 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nuu h ALA 237 CO 0.00 0.39 -0.29 1.15 0.00 0.00 0.00 179.25 180.51 2nuu h THR 238 N 0.82 0.42 -0.15 0.00 2.02 -1.57 0.46 112.91 114.90 2nuu h THR 238 Ca 0.20 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.42 2nuu h THR 238 Cb 0.21 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 2nuu h THR 238 CO -0.02 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.72 2nuu h ALA 239 N -0.35 -0.05 -1.01 6.16 0.00 -1.41 -0.31 119.26 122.29 2nuu h ALA 239 Ca -0.08 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2nuu h ALA 239 Cb 0.61 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2nuu h ALA 239 CO 0.12 -0.59 0.65 0.00 0.00 0.00 0.00 179.25 179.42 2nuu h ALA 240 N 0.90 1.42 -0.40 0.00 0.00 -1.08 -1.93 119.26 118.18 2nuu h ALA 240 Ca 0.10 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2nuu h ALA 240 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2nuu h ALA 240 CO -0.26 0.42 -0.35 0.00 0.00 0.00 0.00 179.25 179.05 2nuu h ALA 241 N 1.47 0.62 -0.41 0.00 0.00 -0.30 0.25 119.26 120.88 2nuu h ALA 241 Ca 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nuu h ALA 241 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2nuu h ALA 241 CO -0.19 0.68 0.27 0.82 0.00 0.00 0.00 179.25 180.83 2nuu h ILE 242 N 0.77 1.11 -0.35 0.00 2.04 -0.65 0.74 117.51 121.16 2nuu h ILE 242 Ca 0.07 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2nuu h ILE 242 Cb 0.94 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2nuu h ILE 242 CO 0.09 0.10 -0.13 -0.07 0.00 0.00 0.00 178.15 178.14 2nuu h LEU 243 N 0.56 0.72 -0.31 1.44 3.38 -1.27 -0.38 115.31 119.45 2nuu h LEU 243 Ca 0.15 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2nuu h LEU 243 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2nuu h LEU 243 CO -0.03 0.95 0.18 1.23 0.09 0.00 0.00 178.44 180.85 2nuu h GLY 244 N 0.49 0.42 0.77 0.83 0.00 -0.19 -0.95 103.07 104.44 2nuu h GLY 244 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2nuu h GLY 244 CO 0.04 0.12 -0.06 -0.25 0.00 0.00 0.00 176.54 176.39 2nuu h TRP 245 N 0.37 -0.16 -0.53 5.60 2.91 -0.82 -2.40 115.95 120.92 2nuu h TRP 245 Ca 0.12 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.19 2nuu h TRP 245 Cb -0.00 0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 28.65 2nuu h TRP 245 CO -0.08 0.10 0.26 0.82 -1.03 0.00 0.00 178.44 178.51 2nuu h ILE 246 N -0.40 0.94 0.00 2.65 1.08 -0.94 -1.06 117.51 119.78 2nuu h ILE 246 Ca -0.02 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 2nuu h ILE 246 Cb 0.33 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 2nuu h ILE 246 CO 0.03 0.09 -0.28 -0.26 -0.69 0.00 0.00 178.15 177.04 2nuu h PHE 247 N 0.50 0.00 0.32 1.37 0.04 -1.19 0.15 116.94 118.13 2nuu h PHE 247 Ca 0.24 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 2nuu h PHE 247 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2nuu h PHE 247 CO -0.11 0.28 -0.15 0.78 -0.60 0.00 0.00 178.31 178.50 2nuu h GLY 248 N 1.21 -0.45 0.67 -1.45 0.00 -0.82 -2.58 103.07 99.65 2nuu h GLY 248 Ca -0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.52 2nuu h GLY 248 CO 0.04 -0.16 -0.09 -2.09 0.00 0.00 0.00 176.54 174.23 2nuu h GLU 249 N -0.93 -0.11 -0.96 4.80 4.81 -1.08 0.55 114.58 121.65 2nuu h GLU 249 Ca -0.04 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2nuu h GLU 249 Cb 0.52 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 2nuu h GLU 249 CO 0.07 -0.08 0.62 2.35 -0.73 0.00 0.00 179.01 181.24 2nuu h TRP 250 N -0.12 1.08 0.19 0.92 2.91 -0.80 0.75 115.95 120.88 2nuu h TRP 250 Ca 0.06 0.03 -0.34 0.00 1.13 0.00 0.00 58.89 59.78 2nuu h TRP 250 Cb 0.21 -0.35 0.02 0.00 -0.51 0.00 0.00 29.16 28.53 2nuu h TRP 250 CO -0.19 0.47 -1.62 0.00 -1.03 0.00 0.00 178.44 176.06 2nuu h ALA 251 N 1.53 0.08 0.00 2.65 0.00 -1.02 -2.66 119.26 119.84 2nuu h ALA 251 Ca 0.46 -1.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.10 2nuu h ALA 251 Cb 0.43 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2nuu h ALA 251 CO -0.22 0.95 -1.35 -0.07 0.00 0.00 0.00 179.25 178.56 2nuu h LEU 252 N 0.11 0.00 0.00 0.00 4.07 0.35 -3.39 115.31 116.45 2nuu h LEU 252 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2nuu h LEU 252 Cb 2.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.84 2nuu h LEU 252 CO 0.21 0.85 -0.93 0.54 -1.08 0.00 0.00 178.44 178.03 2nuu n ARG 253 N -3.10 1.91 0.00 1.13 1.74 0.26 -5.04 116.66 113.55 2nuu n ARG 253 Ca -0.09 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 2nuu n ARG 253 Cb 0.95 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 2nuu n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nuu n GLY 254 N 1.78 1.86 3.24 -0.13 0.00 -0.99 -5.00 105.19 105.95 2nuu n GLY 254 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2nuu n GLY 254 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nuu s LYS 255 N -0.81 0.41 -0.35 1.61 1.02 -1.25 -4.91 119.74 115.46 2nuu s LYS 255 Ca 0.00 0.47 -0.28 0.00 0.02 0.00 0.00 55.97 56.18 2nuu s LYS 255 Cb 0.00 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.53 2nuu s LYS 255 CO 0.00 -0.05 1.02 -1.25 -0.92 0.00 0.00 175.35 174.14 2nuu s PRO 256 N 0.15 3.96 0.27 -1.68 0.04 -1.26 -3.90 135.00 132.57 2nuu s PRO 256 Ca -0.00 0.84 0.06 0.00 0.04 0.00 0.00 61.00 61.93 2nuu s PRO 256 Cb -0.02 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 2nuu s PRO 256 CO 0.01 -0.95 0.36 -1.54 0.04 0.00 0.00 177.00 174.91 2nuu s SER 257 N 1.80 6.01 0.18 6.66 1.04 -1.26 -5.03 113.70 123.11 2nuu s SER 257 Ca 0.43 -0.10 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 2nuu s SER 257 Cb -0.12 -1.54 0.09 0.00 0.10 0.00 0.00 66.02 64.55 2nuu s SER 257 CO 0.18 -0.18 1.54 0.25 0.98 0.00 0.00 173.24 176.00 2nuu h LEU 258 N 1.16 0.80 -1.70 2.42 5.85 -2.00 -2.12 115.31 119.72 2nuu h LEU 258 Ca -0.49 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 57.84 2nuu h LEU 258 Cb 1.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2nuu h LEU 258 CO 0.59 1.10 -0.11 0.25 -0.34 0.00 0.00 178.44 179.93 2nuu h LEU 259 N 0.61 0.05 -0.18 2.25 5.85 -1.96 -1.04 115.31 120.90 2nuu h LEU 259 Ca 0.05 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 2nuu h LEU 259 Cb 0.94 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2nuu h LEU 259 CO 0.09 0.16 -0.46 1.23 -0.34 0.00 0.00 178.44 179.12 2nuu h GLY 260 N 0.42 0.69 1.03 3.75 0.00 -1.89 -0.68 103.07 106.39 2nuu h GLY 260 Ca 0.01 -0.86 -0.07 0.00 0.00 0.00 0.00 47.33 46.41 2nuu h GLY 260 CO 0.01 0.77 0.09 0.00 0.00 0.00 0.00 176.54 177.41 2nuu h ALA 261 N 0.57 0.78 -0.02 3.60 0.00 -0.84 -0.78 119.26 122.56 2nuu h ALA 261 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2nuu h ALA 261 Cb 1.08 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2nuu h ALA 261 CO 0.10 0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.88 2nuu h SER 263 N -0.27 0.95 -0.45 0.00 0.02 -1.05 -2.08 113.55 110.68 2nuu h SER 263 Ca 0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nuu h SER 263 Cb 0.32 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2nuu h SER 263 CO 0.00 0.64 0.29 1.23 -1.14 0.00 0.00 176.83 177.85 2nuu h GLY 264 N 1.10 0.63 0.91 -3.77 0.00 -1.04 -0.41 103.07 100.49 2nuu h GLY 264 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.47 2nuu h GLY 264 CO -0.12 0.24 -0.05 0.00 0.00 0.00 0.00 176.54 176.61 2nuu h ALA 265 N 1.16 -0.06 -0.85 3.60 0.00 -0.90 0.62 119.26 122.83 2nuu h ALA 265 Ca 0.16 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2nuu h ALA 265 Cb -0.06 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2nuu h ALA 265 CO -0.03 -0.55 0.53 0.82 0.00 0.00 0.00 179.25 180.02 2nuu h ILE 266 N -0.09 1.07 -0.48 0.00 1.08 -1.22 0.11 117.51 117.99 2nuu h ILE 266 Ca 0.01 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 2nuu h ILE 266 Cb 0.10 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.82 2nuu h ILE 266 CO -0.03 0.18 0.26 0.00 -0.69 0.00 0.00 178.15 177.87 2nuu h ALA 267 N 1.38 0.61 -0.03 1.87 0.00 -0.49 0.90 119.26 123.51 2nuu h ALA 267 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2nuu h ALA 267 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2nuu h ALA 267 CO -0.15 0.14 0.00 0.78 0.00 0.00 0.00 179.25 180.02 2nuu h GLY 268 N 0.63 0.03 0.85 0.00 0.00 -0.03 0.30 103.07 104.86 2nuu h GLY 268 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.53 2nuu h GLY 268 CO -0.03 -0.00 0.43 1.41 0.00 0.00 0.00 176.54 178.35 2nuu h LEU 269 N 0.02 0.70 -0.33 3.11 3.38 -0.48 -0.16 115.31 121.54 2nuu h LEU 269 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2nuu h LEU 269 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2nuu h LEU 269 CO -0.02 0.48 -0.01 0.58 0.09 0.00 0.00 178.44 179.55 2nuu h VAL 270 N 0.83 1.26 -0.55 1.22 2.07 -0.63 -1.92 116.25 118.54 2nuu h VAL 270 Ca 0.28 -1.00 0.09 0.00 0.82 0.00 0.00 66.70 66.89 2nuu h VAL 270 Cb 0.04 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2nuu h VAL 270 CO -0.12 0.33 0.17 1.23 0.02 0.00 0.00 177.57 179.20 2nuu h GLY 271 N 0.40 0.73 1.42 2.17 0.00 0.42 -2.83 103.07 105.37 2nuu h GLY 271 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2nuu h GLY 271 CO 0.02 -0.03 -0.31 1.55 0.00 0.00 0.00 176.54 177.77 2nuu n VAL 272 N -5.04 0.05 -0.10 4.60 3.14 -0.15 -4.30 118.33 116.52 2nuu n VAL 272 Ca 0.07 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.32 2nuu n VAL 272 Cb 0.25 -0.09 -0.04 0.00 -1.06 0.00 0.00 33.84 32.90 2nuu n VAL 272 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2nuu h THR 273 N 0.00 0.14 0.00 1.55 2.02 -1.08 0.44 112.91 115.98 2nuu h THR 273 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2nuu h THR 273 Cb 0.53 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2nuu h THR 273 CO 0.00 0.00 -0.03 1.55 0.37 0.00 0.00 175.52 177.41 2nuu h PRO 274 N -0.34 0.00 0.00 6.66 0.13 -1.77 -0.67 132.00 136.01 2nuu h PRO 274 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2nuu h PRO 274 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2nuu h PRO 274 CO -0.54 0.03 -2.03 0.00 -0.23 0.00 0.00 178.00 175.23 2nuu n ALA 275 N -2.11 2.61 -0.34 -0.56 0.00 -0.55 -2.01 120.51 117.55 2nuu n ALA 275 Ca 0.01 -0.63 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 2nuu n ALA 275 Cb 0.36 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 2nuu n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nuu n GLY 277 N -1.34 0.21 0.01 0.00 0.00 -1.26 -3.84 105.19 98.97 2nuu n GLY 277 Ca 0.06 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2nuu n GLY 277 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2nuu n TYR 278 N 0.25 0.00 -4.06 1.61 4.01 -0.46 -4.91 117.16 113.60 2nuu n TYR 278 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.61 2nuu n TYR 278 Cb 0.23 -0.17 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 2nuu n TYR 278 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2nuu s ILE 279 N -2.43 2.88 0.70 -0.72 -4.36 -1.02 -0.83 121.20 115.41 2nuu s ILE 279 Ca -0.03 -1.66 -0.03 0.00 -0.26 0.00 0.00 60.65 58.67 2nuu s ILE 279 Cb 0.04 -2.99 0.09 0.00 1.25 0.00 0.00 42.46 40.86 2nuu s ILE 279 CO 0.28 -0.14 0.98 -0.83 0.24 0.00 0.00 174.94 175.47 2nuu s GLY 280 N -3.88 1.76 0.24 6.27 0.00 -0.89 -4.81 107.32 106.02 2nuu s GLY 280 Ca 0.39 -1.36 -0.06 0.00 0.00 0.00 0.00 44.72 43.69 2nuu s GLY 280 CO 0.23 -0.88 1.92 -0.24 0.00 0.00 0.00 173.10 174.13 2nuu h VAL 281 N -0.52 1.25 -0.55 1.40 3.04 -1.93 -2.18 116.25 116.75 2nuu h VAL 281 Ca -0.41 -0.48 -0.09 0.00 -1.01 0.00 0.00 66.70 64.71 2nuu h VAL 281 Cb 1.28 -0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 2nuu h VAL 281 CO 0.48 0.25 -0.02 1.23 -1.01 0.00 0.00 177.57 178.50 2nuu h GLY 282 N 1.33 1.05 1.31 3.17 0.00 -1.94 -2.59 103.07 105.40 2nuu h GLY 282 Ca 0.36 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 2nuu h GLY 282 CO -0.08 0.70 -0.00 -1.33 0.00 0.00 0.00 176.54 175.83 2nuu h GLY 283 N 0.99 0.90 1.56 4.60 0.00 -1.74 -2.48 103.07 106.90 2nuu h GLY 283 Ca 0.16 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2nuu h GLY 283 CO 0.03 0.57 -0.05 0.00 0.00 0.00 0.00 176.54 177.09 2nuu h ALA 284 N 1.22 1.29 -0.52 3.60 0.00 -1.18 -0.72 119.26 122.94 2nuu h ALA 284 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2nuu h ALA 284 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2nuu h ALA 284 CO 0.02 0.47 0.01 1.25 0.00 0.00 0.00 179.25 181.01 2nuu h LEU 285 N 0.51 0.85 -0.02 0.00 6.46 -1.07 0.44 115.31 122.48 2nuu h LEU 285 Ca 0.10 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2nuu h LEU 285 Cb 0.41 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2nuu h LEU 285 CO 0.02 0.90 -0.22 0.40 -0.62 0.00 0.00 178.44 178.92 2nuu h ILE 286 N 0.82 1.52 -1.00 4.05 2.04 -1.15 -2.17 117.51 121.61 2nuu h ILE 286 Ca 0.16 -1.82 0.04 0.00 1.00 0.00 0.00 64.86 64.23 2nuu h ILE 286 Cb 0.47 2.63 -0.06 0.00 -0.74 0.00 0.00 36.82 39.12 2nuu h ILE 286 CO 0.02 0.50 0.66 0.40 0.00 0.00 0.00 178.15 179.73 2nuu h ILE 287 N -0.45 1.17 0.37 -0.67 2.04 -1.11 -0.49 117.51 118.37 2nuu h ILE 287 Ca -0.02 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2nuu h ILE 287 Cb 0.93 -0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2nuu h ILE 287 CO 0.04 0.23 -0.27 1.23 0.00 0.00 0.00 178.15 179.39 2nuu h GLY 288 N 1.27 -0.66 1.01 5.37 0.00 -0.90 0.57 103.07 109.73 2nuu h GLY 288 Ca 0.40 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 48.03 2nuu h GLY 288 CO -0.13 -0.25 0.55 -2.08 0.00 0.00 0.00 176.54 174.62 2nuu h VAL 289 N -0.63 1.24 -0.24 4.60 2.07 -1.04 -1.64 116.25 120.62 2nuu h VAL 289 Ca -0.03 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2nuu h VAL 289 Cb 0.54 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2nuu h VAL 289 CO 0.01 0.25 -0.19 0.58 0.02 0.00 0.00 177.57 178.25 2nuu h VAL 290 N 1.22 1.31 -0.69 2.57 2.07 -0.92 -2.48 116.25 119.33 2nuu h VAL 290 Ca 0.32 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 2nuu h VAL 290 Cb -0.07 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2nuu h VAL 290 CO -0.06 0.41 0.27 0.00 0.02 0.00 0.00 177.57 178.21 2nuu h ALA 291 N 0.69 0.90 -0.97 1.67 0.00 -0.79 0.45 119.26 121.21 2nuu h ALA 291 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2nuu h ALA 291 Cb 0.72 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2nuu h ALA 291 CO 0.05 0.53 0.63 0.78 0.00 0.00 0.00 179.25 181.24 2nuu h GLY 292 N 0.99 1.42 1.53 0.00 0.00 -1.29 0.14 103.07 105.87 2nuu h GLY 292 Ca 0.23 -0.48 -0.29 0.00 0.00 0.00 0.00 47.33 46.80 2nuu h GLY 292 CO -0.02 0.40 -1.27 1.41 0.00 0.00 0.00 176.54 177.06 2nuu h LEU 293 N 1.21 0.54 -0.64 3.11 3.38 -0.98 -2.97 115.31 118.95 2nuu h LEU 293 Ca 0.39 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2nuu h LEU 293 Cb 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2nuu h LEU 293 CO -0.13 1.43 0.28 0.00 0.09 0.00 0.00 178.44 180.12 2nuu h ALA 294 N 0.49 0.83 -0.53 1.53 0.00 0.48 -2.16 119.26 119.89 2nuu h ALA 294 Ca -0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2nuu h ALA 294 Cb 1.99 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2nuu h ALA 294 CO 0.22 0.43 0.16 0.78 0.00 0.00 0.00 179.25 180.83 2nuu h GLY 295 N 0.90 0.90 0.61 0.00 0.00 -0.82 0.41 103.07 105.06 2nuu h GLY 295 Ca 0.22 -0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.07 2nuu h GLY 295 CO -0.02 0.50 0.21 -2.00 0.00 0.00 0.00 176.54 175.23 2nuu h LEU 296 N 0.74 0.25 -0.62 3.11 5.85 -1.33 -1.04 115.31 122.28 2nuu h LEU 296 Ca 0.17 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2nuu h LEU 296 Cb 0.29 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2nuu h LEU 296 CO -0.00 0.18 0.32 -0.25 -0.34 0.00 0.00 178.44 178.34 2nuu h TRP 297 N 0.41 0.87 -0.47 1.25 7.01 -1.03 -2.78 115.95 121.20 2nuu h TRP 297 Ca 0.23 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2nuu h TRP 297 Cb 0.20 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 2nuu h TRP 297 CO -0.14 0.64 0.21 0.78 -2.79 0.00 0.00 178.44 177.15 2nuu h GLY 298 N 0.84 0.64 1.94 2.65 0.00 0.28 0.78 103.07 110.20 2nuu h GLY 298 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2nuu h GLY 298 CO -0.03 0.08 -0.01 3.33 0.00 0.00 0.00 176.54 179.90 2nuu n VAL 299 N -4.93 0.00 0.00 4.60 0.24 -0.54 -2.23 118.33 115.47 2nuu n VAL 299 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2nuu n VAL 299 Cb 0.14 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 2nuu n VAL 299 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2nuu n THR 300 N -1.48 0.00 -0.03 3.34 -1.04 -0.95 -4.74 114.28 109.38 2nuu n THR 300 Ca 0.08 0.16 -0.05 0.00 -2.04 0.00 0.00 64.05 62.20 2nuu n THR 300 Cb 0.33 -1.06 -0.04 0.00 -1.82 0.00 0.00 70.33 67.75 2nuu n THR 300 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2nuu h MET 301 N 0.00 -0.05 -1.00 -2.82 2.07 -1.09 -3.23 114.93 108.81 2nuu h MET 301 Ca 0.00 0.00 0.25 0.00 -2.07 0.00 0.00 59.70 57.88 2nuu h MET 301 Cb 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 31.60 29.66 2nuu h MET 301 CO 0.00 0.22 0.66 1.25 1.07 0.00 0.00 176.91 180.10 2nuu h LEU 302 N -1.00 0.39 -0.95 1.22 7.12 -1.56 0.47 115.31 121.00 2nuu h LEU 302 Ca -0.01 0.06 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 2nuu h LEU 302 Cb 0.29 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 2nuu h LEU 302 CO 0.01 0.11 0.30 0.50 -0.13 0.00 0.00 178.44 179.23 2nuu h LYS 303 N 0.37 1.06 -0.00 1.25 3.64 -1.56 -2.89 116.57 118.43 2nuu h LYS 303 Ca 0.55 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.57 2nuu h LYS 303 Cb 1.44 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2nuu h LYS 303 CO -0.23 0.85 -0.72 0.00 -2.27 0.00 0.00 179.45 177.08 2nuu h ARG 304 N 1.04 0.50 -0.96 1.90 3.08 -0.16 -3.10 114.38 116.68 2nuu h ARG 304 Ca 0.24 -0.53 0.19 0.00 0.07 0.00 0.00 59.98 59.96 2nuu h ARG 304 Cb 0.18 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 2nuu h ARG 304 CO -0.02 1.17 0.61 1.25 -1.07 0.00 0.00 179.97 181.90 2nuu h LEU 305 N 0.04 0.62 0.00 3.04 7.12 -1.02 -2.25 115.31 122.85 2nuu h LEU 305 Ca -0.09 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2nuu h LEU 305 Cb 1.42 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 2nuu h LEU 305 CO 0.14 0.24 -0.77 0.00 -0.13 0.00 0.00 178.44 177.92 2nuu n LEU 306 N -4.63 0.74 -3.82 2.25 -0.00 -1.10 -5.01 117.00 105.42 2nuu n LEU 306 Ca 0.21 -0.24 -0.37 0.00 -0.00 0.00 0.00 56.01 55.61 2nuu n LEU 306 Cb 0.62 -0.12 0.04 0.00 -0.00 0.00 0.00 43.42 43.95 2nuu n LEU 306 CO 0.26 0.18 -0.11 -2.11 -0.00 0.00 0.00 177.39 175.62 2nuu n ARG 307 N -1.53 -0.86 -4.51 1.47 1.85 -0.85 -5.01 116.66 107.23 2nuu n ARG 307 Ca 0.05 0.32 -0.22 0.00 -1.00 0.00 0.00 57.85 57.00 2nuu n ARG 307 Cb 0.34 -3.54 -0.16 0.00 -1.05 0.00 0.00 32.46 28.05 2nuu n ARG 307 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2nuu s VAL 308 N -3.49 0.95 -0.66 8.89 1.01 -1.26 -5.05 120.40 120.79 2nuu s VAL 308 Ca 0.48 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 2nuu s VAL 308 Cb -0.21 -0.83 0.12 0.00 0.00 0.00 0.00 36.38 35.46 2nuu s VAL 308 CO 0.90 0.29 0.77 -0.62 0.00 0.00 0.00 175.10 176.44 2nuu s ASP 309 N 0.09 6.29 -0.55 3.32 2.15 -1.26 -4.96 116.67 121.75 2nuu s ASP 309 Ca -0.02 -1.62 0.02 0.00 0.43 0.00 0.00 52.55 51.36 2nuu s ASP 309 Cb -0.09 -2.31 0.14 0.00 -0.30 0.00 0.00 42.92 40.37 2nuu s ASP 309 CO 0.01 -1.07 0.31 -0.62 -0.17 0.00 0.00 175.17 173.63 2nuu s ASP 310 N 3.49 4.59 0.27 -0.34 2.15 -1.26 -4.81 116.67 120.75 2nuu s ASP 310 Ca 0.15 -2.98 -0.00 0.00 0.43 0.00 0.00 52.55 50.15 2nuu s ASP 310 Cb -0.20 -1.70 0.59 0.00 -0.30 0.00 0.00 42.92 41.30 2nuu s ASP 310 CO 0.03 -0.27 1.71 -0.65 -0.17 0.00 0.00 175.17 175.82 2nuu h PRO 311 N 6.64 0.39 -0.64 4.34 0.11 -1.77 -0.38 132.00 140.69 2nuu h PRO 311 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2nuu h PRO 311 Cb 0.91 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2nuu h PRO 311 CO 0.70 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 2nuu n ASP 313 N 0.79 -3.06 -0.24 0.00 8.00 -0.15 -4.89 116.55 116.99 2nuu n ASP 313 Ca 0.23 -0.92 -0.04 0.00 0.71 0.00 0.00 54.79 54.78 2nuu n ASP 313 Cb 0.90 -3.30 0.07 0.00 -0.02 0.00 0.00 41.12 38.77 2nuu n ASP 313 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2nuu h VAL 314 N -1.80 1.09 0.00 2.53 2.07 -1.90 -2.63 116.25 115.61 2nuu h VAL 314 Ca -0.60 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 66.49 2nuu h VAL 314 Cb 1.38 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2nuu h VAL 314 CO 0.70 0.15 -0.69 0.15 0.02 0.00 0.00 177.57 177.90 2nuu h PHE 315 N 0.83 0.00 -0.07 1.57 3.57 -1.90 -0.86 116.94 120.08 2nuu h PHE 315 Ca 0.27 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 2nuu h PHE 315 Cb 0.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2nuu h PHE 315 CO -0.05 0.69 -0.43 0.78 -2.23 0.00 0.00 178.31 177.07 2nuu h GLY 316 N 2.52 0.17 0.00 2.40 0.00 -1.75 -1.46 103.07 104.95 2nuu h GLY 316 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2nuu h GLY 316 CO 0.09 0.15 -0.16 -0.62 0.00 0.00 0.00 176.54 175.99 2nuu n VAL 317 N -4.01 0.26 0.04 4.60 0.31 -1.01 -4.21 118.33 114.30 2nuu n VAL 317 Ca -0.02 0.44 -0.00 0.00 -0.01 0.00 0.00 64.34 64.75 2nuu n VAL 317 Cb 0.48 -1.65 0.29 0.00 -0.91 0.00 0.00 33.84 32.06 2nuu n VAL 317 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2nuu h HIS 318 N -0.17 0.46 0.22 3.52 3.86 -1.35 0.15 115.15 121.84 2nuu h HIS 318 Ca 0.00 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2nuu h HIS 318 Cb 0.16 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2nuu h HIS 318 CO -0.07 0.53 -0.11 0.78 0.86 0.00 0.00 177.93 179.93 2nuu h GLY 319 N 0.87 -0.31 0.63 2.45 0.00 -1.35 -2.51 103.07 102.85 2nuu h GLY 319 Ca 0.08 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.54 2nuu h GLY 319 CO 0.02 -0.11 -0.21 -2.08 0.00 0.00 0.00 176.54 174.17 2nuu h VAL 320 N -0.89 0.53 0.00 4.60 2.07 -1.35 -1.56 116.25 119.66 2nuu h VAL 320 Ca -0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2nuu h VAL 320 Cb 0.23 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2nuu h VAL 320 CO 0.05 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.19 2nuu h GLY 322 N 1.37 0.52 0.97 0.00 0.00 -1.32 -0.81 103.07 103.80 2nuu h GLY 322 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2nuu h GLY 322 CO 0.06 0.46 0.03 -2.22 0.00 0.00 0.00 176.54 174.86 2nuu h ILE 323 N 0.17 1.04 -0.79 2.60 2.04 -1.12 0.93 117.51 122.39 2nuu h ILE 323 Ca 0.04 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2nuu h ILE 323 Cb 0.68 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2nuu h ILE 323 CO 0.04 0.03 0.50 0.58 0.00 0.00 0.00 178.15 179.31 2nuu h VAL 324 N 0.03 1.21 -0.38 1.67 2.07 -1.25 -1.73 116.25 117.87 2nuu h VAL 324 Ca 0.02 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 2nuu h VAL 324 Cb 0.03 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2nuu h VAL 324 CO -0.00 0.21 -0.36 1.23 0.02 0.00 0.00 177.57 178.67 2nuu h GLY 325 N 1.07 1.00 1.05 2.17 0.00 -0.99 -1.17 103.07 106.20 2nuu h GLY 325 Ca 0.29 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 2nuu h GLY 325 CO -0.06 0.91 0.35 0.00 0.00 0.00 0.00 176.54 177.74 2nuu h ILE 327 N 1.18 1.40 -0.25 0.00 2.04 -1.28 -3.26 117.51 117.34 2nuu h ILE 327 Ca 0.28 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2nuu h ILE 327 Cb 0.18 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2nuu h ILE 327 CO -0.03 0.32 0.11 0.24 0.00 0.00 0.00 178.15 178.80 2nuu h MET 328 N -0.46 0.34 -0.98 2.37 2.86 -1.09 -2.13 114.93 115.85 2nuu h MET 328 Ca 0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2nuu h MET 328 Cb 0.54 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 2nuu h MET 328 CO 0.00 0.28 0.64 1.15 1.06 0.00 0.00 176.91 180.04 2nuu h THR 329 N 0.35 1.12 0.00 2.22 2.02 -1.19 0.13 112.91 117.56 2nuu h THR 329 Ca 0.09 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2nuu h THR 329 Cb 0.06 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.30 2nuu h THR 329 CO -0.01 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.70 2nuu n GLY 330 N -1.38 -0.77 0.49 2.16 0.00 -0.80 -2.28 105.19 102.61 2nuu n GLY 330 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2nuu n GLY 330 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nuu n ILE 331 N -1.46 1.17 0.95 -0.61 5.41 0.15 -4.42 119.36 120.54 2nuu n ILE 331 Ca 0.03 0.03 0.07 0.00 1.00 0.00 0.00 62.75 63.87 2nuu n ILE 331 Cb 0.10 -1.90 0.39 0.00 -0.71 0.00 0.00 39.64 37.52 2nuu n ILE 331 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2nuu n PHE 332 N -3.92 0.00 0.21 1.39 3.72 0.23 -2.16 117.46 116.93 2nuu n PHE 332 Ca -0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.33 2nuu n PHE 332 Cb 0.50 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.19 2nuu n PHE 332 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nuu h ALA 333 N 2.82 0.95 -2.01 4.37 0.00 -1.68 -3.32 119.26 120.38 2nuu h ALA 333 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 2nuu h ALA 333 Cb 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.88 2nuu h ALA 333 CO 0.00 0.02 0.29 0.00 0.00 0.00 0.00 179.25 179.56 2nuu n ALA 334 N -2.11 -0.04 -0.32 0.00 0.00 -0.92 -0.60 120.51 116.51 2nuu n ALA 334 Ca 0.04 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 2nuu n ALA 334 Cb 0.54 -2.09 0.08 0.00 0.00 0.00 0.00 19.45 17.99 2nuu n ALA 334 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nuu h SER 335 N 2.89 1.02 0.60 0.00 4.64 -1.90 -0.45 113.55 120.35 2nuu h SER 335 Ca -0.42 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2nuu h SER 335 Cb 1.32 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2nuu h SER 335 CO 0.67 0.75 0.00 -1.54 -0.87 0.00 0.00 176.83 175.84 2nuu n SER 336 N -4.46 0.47 -1.23 4.97 3.41 -1.26 -1.56 113.62 113.96 2nuu n SER 336 Ca 0.09 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 2nuu n SER 336 Cb 0.03 -0.72 0.29 0.00 -0.26 0.00 0.00 64.21 63.55 2nuu n SER 336 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nuu n LEU 337 N -2.02 3.57 0.00 1.04 4.77 -0.89 -4.90 117.00 118.57 2nuu n LEU 337 Ca 0.02 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 2nuu n LEU 337 Cb 0.19 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2nuu n LEU 337 CO 0.17 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 2nuu n GLY 338 N 1.56 0.53 3.94 -0.72 0.00 -0.60 -4.58 105.19 105.32 2nuu n GLY 338 Ca 0.22 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 2nuu n GLY 338 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nuu s GLY 339 N -2.55 1.73 0.00 -0.02 0.00 -0.23 -2.08 107.32 104.17 2nuu s GLY 339 Ca 0.00 -1.16 0.30 0.00 0.00 0.00 0.00 44.72 43.85 2nuu s GLY 339 CO 0.00 -0.54 1.98 1.55 0.00 0.00 0.00 173.10 176.09 2nuu n VAL 340 N -3.37 0.00 0.00 1.40 3.14 -0.01 -4.34 118.33 115.16 2nuu n VAL 340 Ca 0.13 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2nuu n VAL 340 Cb 0.60 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 2nuu n VAL 340 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2nuu n GLY 341 N 1.32 -0.26 3.76 7.55 0.00 0.23 -4.92 105.19 112.86 2nuu n GLY 341 Ca 0.13 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 2nuu n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nuu s PHE 342 N -1.39 2.48 0.90 1.61 0.08 -1.26 -4.93 117.98 115.48 2nuu s PHE 342 Ca 0.00 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.48 2nuu s PHE 342 Cb 0.00 -3.08 0.11 0.00 -0.57 0.00 0.00 43.02 39.48 2nuu s PHE 342 CO 0.00 -1.94 1.01 0.00 -0.10 0.00 0.00 175.22 174.19 2nuu n ALA 343 N -3.62 -1.02 -1.67 5.36 0.00 -1.26 -4.84 120.51 113.46 2nuu n ALA 343 Ca 0.09 -0.52 -0.47 0.00 0.00 0.00 0.00 53.44 52.54 2nuu n ALA 343 Cb 0.53 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 2nuu n ALA 343 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nuu n GLU 344 N -3.56 2.18 0.00 0.00 -0.58 -1.26 -2.25 120.64 115.18 2nuu n GLU 344 Ca 0.11 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 2nuu n GLU 344 Cb 0.52 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 2nuu n GLU 344 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nuu n GLY 345 N 3.88 2.78 3.77 0.62 0.00 -1.26 -5.04 105.19 109.93 2nuu n GLY 345 Ca 0.20 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2nuu n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuu s VAL 346 N -1.33 2.75 0.10 1.61 1.01 -0.95 -5.07 120.40 118.52 2nuu s VAL 346 Ca 0.00 0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.70 2nuu s VAL 346 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2nuu s VAL 346 CO 0.00 0.07 -0.19 0.42 0.00 0.00 0.00 175.10 175.40 2nuu s THR 347 N -1.32 1.58 0.23 3.92 -4.23 -1.26 -4.76 115.64 109.80 2nuu s THR 347 Ca 0.58 -1.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2nuu s THR 347 Cb -0.36 -1.48 0.33 0.00 1.34 0.00 0.00 72.50 72.34 2nuu s THR 347 CO 0.45 -0.13 1.19 0.80 -0.54 0.00 0.00 174.62 176.39 2nuu n MET 348 N 1.03 -0.06 0.01 3.99 1.56 -1.26 -1.60 117.12 120.79 2nuu n MET 348 Ca -0.19 1.16 -0.11 0.00 -0.27 0.00 0.00 57.70 58.29 2nuu n MET 348 Cb 0.54 -1.80 -0.07 0.00 2.15 0.00 0.00 33.22 34.04 2nuu n MET 348 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2nuu h GLY 349 N 0.00 -1.22 0.67 -5.12 0.00 -1.97 0.25 103.07 95.68 2nuu h GLY 349 Ca 0.42 0.67 0.02 0.00 0.00 0.00 0.00 47.33 48.44 2nuu h GLY 349 CO -0.75 -0.31 -0.13 0.84 0.00 0.00 0.00 176.54 176.19 2nuu h HIS 350 N -0.45 -0.34 -1.00 5.60 6.17 -1.72 -2.44 115.15 120.96 2nuu h HIS 350 Ca 0.02 0.01 0.15 0.00 0.71 0.00 0.00 60.37 61.26 2nuu h HIS 350 Cb 0.51 0.15 -0.09 0.00 2.52 0.00 0.00 27.41 30.50 2nuu h HIS 350 CO -0.52 -0.20 0.62 0.37 0.71 0.00 0.00 177.93 178.91 2nuu h GLN 351 N -0.22 0.85 -1.01 5.26 5.75 -1.25 -0.41 115.11 124.08 2nuu h GLN 351 Ca 0.05 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2nuu h GLN 351 Cb 0.28 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 2nuu h GLN 351 CO -0.13 0.56 0.65 1.25 -2.65 0.00 0.00 178.83 178.51 2nuu h LEU 352 N 0.87 1.03 -0.18 -2.39 6.46 -0.01 -1.23 115.31 119.88 2nuu h LEU 352 Ca 0.53 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 58.17 2nuu h LEU 352 Cb 0.69 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2nuu h LEU 352 CO -0.31 0.65 -0.40 0.25 -0.62 0.00 0.00 178.44 178.01 2nuu h LEU 353 N 1.17 0.66 -1.05 2.25 6.46 -0.92 -2.69 115.31 121.19 2nuu h LEU 353 Ca 0.44 -0.56 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2nuu h LEU 353 Cb 0.19 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 2nuu h LEU 353 CO -0.18 1.10 0.50 0.58 -0.62 0.00 0.00 178.44 179.83 2nuu h VAL 354 N 0.25 1.24 -0.82 1.05 2.07 -0.91 0.66 116.25 119.79 2nuu h VAL 354 Ca 0.00 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2nuu h VAL 354 Cb 1.01 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2nuu h VAL 354 CO 0.09 0.25 0.35 1.56 0.02 0.00 0.00 177.57 179.85 2nuu h GLN 355 N 1.18 1.21 -0.19 1.57 1.08 -1.24 -0.30 115.11 118.41 2nuu h GLN 355 Ca 0.30 -0.20 -0.15 0.00 -1.45 0.00 0.00 58.65 57.15 2nuu h GLN 355 Cb -0.03 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 2nuu h GLN 355 CO -0.06 0.95 -0.51 -0.07 -0.95 0.00 0.00 178.83 178.20 2nuu h LEU 356 N 1.18 0.57 0.07 1.46 3.38 -0.82 -2.66 115.31 118.49 2nuu h LEU 356 Ca 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2nuu h LEU 356 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2nuu h LEU 356 CO -0.03 0.98 -0.03 -0.08 0.09 0.00 0.00 178.44 179.37 2nuu h GLU 357 N 0.41 -0.09 -0.95 1.13 4.81 0.71 -2.65 114.58 117.96 2nuu h GLU 357 Ca 0.02 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2nuu h GLU 357 Cb 1.03 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.35 2nuu h GLU 357 CO 0.09 0.10 0.57 0.77 -0.73 0.00 0.00 179.01 179.82 2nuu h SER 358 N -0.26 0.82 0.13 1.04 0.02 -1.02 -1.96 113.55 112.33 2nuu h SER 358 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2nuu h SER 358 Cb 0.22 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2nuu h SER 358 CO 0.02 0.43 -0.06 0.40 -1.14 0.00 0.00 176.83 176.48 2nuu h ILE 359 N 0.90 1.00 -0.59 3.27 2.04 -1.32 -2.37 117.51 120.44 2nuu h ILE 359 Ca 0.47 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2nuu h ILE 359 Cb 0.49 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2nuu h ILE 359 CO -0.27 0.13 0.37 0.00 0.00 0.00 0.00 178.15 178.37 2nuu h ALA 360 N 0.42 0.75 -0.68 1.87 0.00 -1.22 -1.22 119.26 119.18 2nuu h ALA 360 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nuu h ALA 360 Cb 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2nuu h ALA 360 CO 0.03 0.12 0.37 0.82 0.00 0.00 0.00 179.25 180.59 2nuu h ILE 361 N 0.74 1.21 -0.15 0.00 2.04 -1.37 -1.80 117.51 118.18 2nuu h ILE 361 Ca 0.23 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2nuu h ILE 361 Cb -0.02 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2nuu h ILE 361 CO -0.08 0.24 0.03 0.74 0.00 0.00 0.00 178.15 179.08 2nuu h THR 362 N 0.94 1.21 -0.22 -0.27 2.02 -1.13 0.62 112.91 116.08 2nuu h THR 362 Ca 0.24 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.81 2nuu h THR 362 Cb 0.05 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2nuu h THR 362 CO -0.04 0.20 -0.02 0.40 0.37 0.00 0.00 175.52 176.42 2nuu h ILE 363 N 0.04 0.82 -0.36 3.11 2.04 -1.01 0.14 117.51 122.28 2nuu h ILE 363 Ca 0.05 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.75 2nuu h ILE 363 Cb 0.27 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2nuu h ILE 363 CO 0.00 0.01 -0.33 0.58 0.00 0.00 0.00 178.15 178.41 2nuu h VAL 364 N 0.04 1.28 0.33 1.67 2.07 -1.32 -1.08 116.25 119.23 2nuu h VAL 364 Ca 0.11 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2nuu h VAL 364 Cb 0.15 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2nuu h VAL 364 CO -0.20 0.49 -0.16 -0.25 0.02 0.00 0.00 177.57 177.48 2nuu h TRP 365 N 0.66 -0.41 -0.53 1.57 2.91 -0.47 -1.78 115.95 117.90 2nuu h TRP 365 Ca 0.06 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.00 2nuu h TRP 365 Cb 0.91 0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.67 2nuu h TRP 365 CO 0.07 -0.18 0.04 1.03 -1.03 0.00 0.00 178.44 178.37 2nuu h SER 366 N -0.55 0.88 -0.21 2.65 0.87 -0.81 -2.42 113.55 113.96 2nuu h SER 366 Ca -0.04 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2nuu h SER 366 Cb 0.41 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2nuu h SER 366 CO 0.07 0.95 0.13 1.23 -0.53 0.00 0.00 176.83 178.68 2nuu h GLY 367 N 0.78 0.30 0.88 5.77 0.00 -1.17 0.13 103.07 109.75 2nuu h GLY 367 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2nuu h GLY 367 CO 0.02 0.12 0.05 -2.08 0.00 0.00 0.00 176.54 174.65 2nuu h VAL 368 N 0.26 1.23 -0.61 4.60 2.07 -1.33 -1.36 116.25 121.12 2nuu h VAL 368 Ca 0.08 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2nuu h VAL 368 Cb -0.00 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2nuu h VAL 368 CO -0.02 0.25 0.00 0.58 0.02 0.00 0.00 177.57 178.41 2nuu h VAL 369 N 0.30 1.26 -0.54 2.57 2.07 -1.34 -0.97 116.25 119.61 2nuu h VAL 369 Ca 0.09 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2nuu h VAL 369 Cb 0.33 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2nuu h VAL 369 CO 0.00 0.42 0.20 0.00 0.02 0.00 0.00 177.57 178.21 2nuu h ALA 370 N 1.02 0.70 -0.89 1.67 0.00 -0.66 0.10 119.26 121.20 2nuu h ALA 370 Ca 0.17 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2nuu h ALA 370 Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2nuu h ALA 370 CO 0.03 0.33 0.58 0.35 0.00 0.00 0.00 179.25 180.53 2nuu h PHE 371 N 0.73 1.09 0.11 0.00 3.57 -1.01 -0.03 116.94 121.41 2nuu h PHE 371 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2nuu h PHE 371 Cb 0.22 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2nuu h PHE 371 CO 0.01 0.64 -0.05 0.82 -2.23 0.00 0.00 178.31 177.49 2nuu h ILE 372 N 1.13 0.98 -0.07 1.41 2.04 -0.44 -2.56 117.51 120.02 2nuu h ILE 372 Ca 0.35 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2nuu h ILE 372 Cb -0.02 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2nuu h ILE 372 CO -0.11 0.09 -0.05 1.23 0.00 0.00 0.00 178.15 179.31 2nuu h GLY 373 N -0.32 0.01 1.11 5.37 0.00 -0.34 -1.59 103.07 107.31 2nuu h GLY 373 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.39 2nuu h GLY 373 CO 0.03 -0.06 0.56 -0.97 0.00 0.00 0.00 176.54 176.10 2nuu h TYR 374 N -0.05 1.05 -0.14 5.60 0.05 -1.06 -1.90 116.97 120.51 2nuu h TYR 374 Ca 0.04 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2nuu h TYR 374 Cb 0.12 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 2nuu h TYR 374 CO -0.15 0.64 0.02 0.87 -1.05 0.00 0.00 178.16 178.49 2nuu h LYS 375 N 1.11 0.24 -0.58 4.88 1.79 -1.13 -1.06 116.57 121.82 2nuu h LYS 375 Ca 0.32 -0.07 0.09 0.00 -2.18 0.00 0.00 60.65 58.81 2nuu h LYS 375 Cb -0.06 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.49 2nuu h LYS 375 CO -0.08 0.43 0.21 1.25 -1.08 0.00 0.00 179.45 180.18 2nuu h LEU 376 N 0.01 0.21 -0.11 2.94 7.12 -0.90 -0.59 115.31 123.99 2nuu h LEU 376 Ca 0.04 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.10 2nuu h LEU 376 Cb 0.31 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2nuu h LEU 376 CO 0.00 0.13 -0.03 0.00 -0.13 0.00 0.00 178.44 178.42 2nuu h ALA 377 N 1.40 0.15 -0.94 1.25 0.00 -1.29 -1.47 119.26 118.35 2nuu h ALA 377 Ca 0.29 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.09 2nuu h ALA 377 Cb 0.34 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2nuu h ALA 377 CO -0.29 -0.12 0.57 0.22 0.00 0.00 0.00 179.25 179.63 2nuu h ASP 378 N -0.12 0.83 -0.08 0.00 -0.00 -0.84 0.35 116.42 116.56 2nuu h ASP 378 Ca 0.03 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.10 2nuu h ASP 378 Cb 0.44 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 39.65 2nuu h ASP 378 CO 0.01 0.44 0.00 0.25 -0.00 0.00 0.00 179.24 179.94 2nuu h LEU 379 N 0.91 0.14 0.19 2.28 5.85 -1.04 -2.46 115.31 121.18 2nuu h LEU 379 Ca 0.47 -0.30 -0.26 0.00 0.84 0.00 0.00 57.88 58.63 2nuu h LEU 379 Cb 0.48 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.49 2nuu h LEU 379 CO -0.27 0.41 -1.14 0.71 -0.34 0.00 0.00 178.44 177.80 2nuu h THR 380 N -0.13 1.37 0.00 1.05 1.35 -0.56 -3.43 112.91 112.57 2nuu h THR 380 Ca 0.02 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 2nuu h THR 380 Cb 0.33 3.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 2nuu h THR 380 CO 0.00 0.76 0.00 1.33 -0.25 0.00 0.00 175.52 177.36 2nuu n VAL 381 N -3.94 0.00 0.00 6.82 0.24 0.12 -5.09 118.33 116.48 2nuu n VAL 381 Ca -0.16 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2nuu n VAL 381 Cb 0.94 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.51 2nuu n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nuu n GLY 382 N 0.31 -2.09 0.07 7.63 0.00 -0.85 -4.94 105.19 105.32 2nuu n GLY 382 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 2nuu n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nuu h LEU 383 N 0.00 0.00 -9.70 0.99 3.38 -1.80 -3.42 115.31 104.75 2nuu h LEU 383 Ca 0.00 -0.66 -0.64 0.00 0.09 0.00 0.00 57.88 56.67 2nuu h LEU 383 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2nuu h LEU 383 CO 0.00 0.89 -0.37 -0.60 0.09 0.00 0.00 178.44 178.45 2nuu s ARG 384 N -2.04 3.63 0.46 1.13 3.52 -1.26 0.20 118.95 124.58 2nuu s ARG 384 Ca -0.14 0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.30 2nuu s ARG 384 Cb -0.01 -3.15 -0.10 0.00 -1.56 0.00 0.00 34.95 30.12 2nuu s ARG 384 CO 0.48 0.70 0.99 0.14 -0.81 0.00 0.00 175.30 176.80 2nuu s VAL 385 N -1.15 4.13 0.62 7.11 -7.23 -0.63 -4.87 120.40 118.39 2nuu s VAL 385 Ca 0.22 1.31 -0.18 0.00 -1.81 0.00 0.00 61.98 61.53 2nuu s VAL 385 Cb -0.14 -3.54 -0.05 0.00 0.56 0.00 0.00 36.38 33.22 2nuu s VAL 385 CO 0.11 -0.30 0.85 -0.81 -0.31 0.00 0.00 175.10 174.64 2nuu n PRO 386 N -0.82 0.72 -0.33 4.82 -0.04 -1.26 -4.79 135.00 133.29 2nuu n PRO 386 Ca 0.08 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 2nuu n PRO 386 Cb 0.53 -2.06 0.25 0.00 -0.04 0.00 0.00 33.50 32.18 2nuu n PRO 386 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2nuu h GLU 387 N 0.26 0.77 -0.69 0.54 -0.00 -1.99 -2.36 114.58 111.12 2nuu h GLU 387 Ca -0.48 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.36 58.79 2nuu h GLU 387 Cb 1.37 -0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 29.91 2nuu h GLU 387 CO 0.49 0.51 0.26 1.49 -0.00 0.00 0.00 179.01 181.76 2nuu h GLU 388 N 0.80 1.04 0.00 1.06 4.81 -2.00 -1.74 114.58 118.54 2nuu h GLU 388 Ca 0.50 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2nuu h GLU 388 Cb 0.64 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2nuu h GLU 388 CO -0.33 0.87 0.00 1.96 -0.73 0.00 0.00 179.01 180.78 2nuu h GLN 389 N 0.98 0.00 0.17 1.92 4.20 -1.80 -1.43 115.11 119.15 2nuu h GLN 389 Ca 0.23 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.60 2nuu h GLN 389 Cb 0.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.02 2nuu h GLN 389 CO -0.02 0.00 -1.65 1.49 -0.67 0.00 0.00 178.83 177.99 2nuu h GLU 390 N 0.00 0.36 -0.08 1.46 4.81 -0.95 -2.57 114.58 117.60 2nuu h GLU 390 Ca 0.00 -0.61 -0.20 0.00 -0.13 0.00 0.00 59.36 58.42 2nuu h GLU 390 Cb 0.48 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2nuu h GLU 390 CO 0.00 1.25 -0.79 0.00 -0.73 0.00 0.00 179.01 178.75 2nuu h ARG 391 N 0.10 0.52 0.00 1.92 3.08 -0.99 -3.15 114.38 115.86 2nuu h ARG 391 Ca -0.30 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.30 2nuu h ARG 391 Cb 2.08 0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.23 2nuu h ARG 391 CO 0.18 1.08 -0.10 0.93 -1.07 0.00 0.00 179.97 180.99 2nuu h GLU 392 N 0.34 0.00 0.00 0.04 4.39 -1.40 -3.50 114.58 114.45 2nuu h GLU 392 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2nuu h GLU 392 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2nuu h GLU 392 CO 0.14 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.40 2nuu n GLY 393 N 1.18 2.33 0.18 -3.84 0.00 -0.97 -4.85 105.19 99.22 2nuu n GLY 393 Ca 0.04 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.56 2nuu n GLY 393 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nuu h LEU 394 N 0.00 0.00 -0.59 0.99 3.38 -1.67 -3.26 115.31 114.16 2nuu h LEU 394 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2nuu h LEU 394 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2nuu h LEU 394 CO 0.00 0.00 0.11 0.44 0.09 0.00 0.00 178.44 179.08 2nuu h ASP 395 N 0.00 0.93 0.00 -0.43 3.32 -1.76 -2.01 116.42 116.47 2nuu h ASP 395 Ca 0.00 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 2nuu h ASP 395 Cb 0.64 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2nuu h ASP 395 CO 0.00 0.94 -0.59 1.62 -1.72 0.00 0.00 179.24 179.49 2nuu h VAL 396 N 0.87 1.27 -0.03 -1.35 3.04 -1.62 -1.53 116.25 116.90 2nuu h VAL 396 Ca 0.18 -2.18 0.00 0.00 -1.01 0.00 0.00 66.70 63.69 2nuu h VAL 396 Cb 0.40 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 2nuu h VAL 396 CO 0.01 0.43 0.00 -0.46 -1.01 0.00 0.00 177.57 176.54 2nuu n ASN 397 N -4.54 0.88 -0.02 3.17 0.23 -1.23 -0.50 115.26 113.25 2nuu n ASN 397 Ca -0.20 -1.35 -0.02 0.00 -0.53 0.00 0.00 54.58 52.49 2nuu n ASN 397 Cb 0.55 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 2nuu n ASN 397 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2nuu n SER 398 N -0.29 4.01 0.00 0.53 7.64 -0.76 -4.76 113.62 119.98 2nuu n SER 398 Ca 0.20 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2nuu n SER 398 Cb 0.24 0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2nuu n SER 398 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2nuu n HIS 399 N -2.31 0.00 -4.05 1.43 8.25 -1.13 -5.03 115.22 112.37 2nuu n HIS 399 Ca -0.06 -0.06 -0.30 0.00 -0.26 0.00 0.00 57.72 57.04 2nuu n HIS 399 Cb 0.59 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 2nuu n HIS 399 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nuu n GLY 400 N -0.06 -0.36 3.20 -1.41 0.00 0.34 -4.93 105.19 101.98 2nuu n GLY 400 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2nuu n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nuu s GLU 401 N -6.69 0.64 -0.08 1.61 2.02 -0.63 -4.95 118.70 110.62 2nuu s GLU 401 Ca 0.40 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.07 2nuu s GLU 401 Cb -0.22 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.26 2nuu s GLU 401 CO 0.89 -0.18 -0.03 1.21 0.02 0.00 0.00 175.26 177.18 2nuu s ASN 402 N -1.50 4.99 0.05 -0.19 2.47 -1.26 -3.27 114.94 116.23 2nuu s ASN 402 Ca -0.12 0.07 -0.19 0.00 0.42 0.00 0.00 52.86 53.04 2nuu s ASN 402 Cb -0.05 -1.36 -0.14 0.00 -1.45 0.00 0.00 41.25 38.25 2nuu s ASN 402 CO 0.02 0.37 1.34 0.00 -3.72 0.00 0.00 177.10 175.11 2nuu h ALA 403 N 5.24 0.25 -3.30 1.71 0.00 -1.96 -3.44 119.26 117.77 2nuu h ALA 403 Ca -0.49 -0.36 -0.59 0.00 0.00 0.00 0.00 54.91 53.47 2nuu h ALA 403 Cb 1.18 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.55 2nuu h ALA 403 CO 0.54 0.19 -0.81 0.71 0.00 0.00 0.00 179.25 179.87 2nuu s TYR 404 N -4.24 2.10 0.29 0.00 2.02 -1.26 -5.12 117.35 111.13 2nuu s TYR 404 Ca -0.14 -1.30 0.11 0.00 -0.37 0.00 0.00 57.07 55.38 2nuu s TYR 404 Cb 0.06 -1.52 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 2nuu s TYR 404 CO 0.77 -0.67 -0.16 -0.80 -1.57 0.00 0.00 175.55 173.12 2nuu s ASN 405 N 1.50 3.51 0.00 2.29 0.01 -1.26 -5.23 114.94 115.75 2nuu s ASN 405 Ca 0.01 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.09 2nuu s ASN 405 Cb -0.15 -0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.22 2nuu s ASN 405 CO -0.09 -0.05 0.00 0.00 -1.51 0.00 0.00 177.10 175.45