#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he3 n LYS 28 N 0.00 2.59 -3.27 -1.46 3.00 -1.26 -5.09 118.16 112.67 3he3 n LYS 28 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 58.31 57.88 3he3 n LYS 28 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 35.03 34.08 3he3 n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3he3 n GLY 29 N 0.78 -0.54 3.31 3.14 0.00 -1.26 -4.91 105.19 105.71 3he3 n GLY 29 Ca 0.03 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 3he3 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3he3 s PHE 30 N -3.04 1.89 -0.02 1.61 0.40 0.22 -4.98 117.98 114.06 3he3 s PHE 30 Ca 0.00 -0.42 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 3he3 s PHE 30 Cb 0.00 -1.02 -0.33 0.00 0.51 0.00 0.00 43.02 42.18 3he3 s PHE 30 CO 0.00 0.25 0.87 -0.44 0.70 0.00 0.00 175.22 176.60 3he3 h ASP 31 N 3.91 0.65 -3.94 1.36 3.32 -1.50 -2.98 116.42 117.25 3he3 h ASP 31 Ca -0.46 -0.93 -0.43 0.00 0.02 0.00 0.00 57.03 55.23 3he3 h ASP 31 Cb 1.18 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 40.22 3he3 h ASP 31 CO 0.41 1.62 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.45 3he3 s TYR 32 N -2.53 1.00 -0.36 4.55 2.02 -0.92 -1.81 117.35 119.30 3he3 s TYR 32 Ca -0.13 -0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.28 3he3 s TYR 32 Cb 0.03 -0.68 0.06 0.00 -0.40 0.00 0.00 41.96 40.97 3he3 s TYR 32 CO 0.88 -0.07 0.13 -1.17 -1.57 0.00 0.00 175.55 173.75 3he3 s LEU 33 N -0.00 4.54 -0.27 -1.29 2.96 -0.49 -1.19 118.68 122.94 3he3 s LEU 33 Ca -0.00 -1.32 -0.12 0.00 -0.22 0.00 0.00 54.13 52.47 3he3 s LEU 33 Cb -0.07 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3he3 s LEU 33 CO 0.00 -0.38 0.22 -0.63 -1.32 0.00 0.00 176.35 174.24 3he3 s ILE 34 N 1.36 5.29 -0.41 6.68 1.01 0.13 -1.64 121.20 133.62 3he3 s ILE 34 Ca -0.00 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 3he3 s ILE 34 Cb -0.21 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3he3 s ILE 34 CO 0.02 0.26 0.37 -0.69 0.00 0.00 0.00 174.94 174.89 3he3 s VAL 35 N 1.63 5.18 0.00 2.92 1.01 0.11 -0.48 120.40 130.77 3he3 s VAL 35 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3he3 s VAL 35 Cb -0.15 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.25 3he3 s VAL 35 CO 0.09 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.44 3he3 n GLY 36 N 5.13 2.88 1.41 4.51 0.00 0.16 -1.50 105.19 117.78 3he3 n GLY 36 Ca -0.09 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 3he3 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he3 n ALA 37 N 1.36 4.64 -1.11 4.61 0.00 -1.26 -3.99 120.51 124.77 3he3 n ALA 37 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.21 3he3 n ALA 37 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3he3 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he3 n GLY 38 N -1.08 -0.26 0.31 0.00 0.00 -1.26 -0.30 105.19 102.60 3he3 n GLY 38 Ca 0.38 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 3he3 n GLY 38 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3he3 h PHE 39 N 0.00 1.04 0.85 1.61 -1.00 -1.94 -1.35 116.94 116.14 3he3 h PHE 39 Ca 0.00 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 3he3 h PHE 39 Cb 0.00 -0.34 0.01 0.00 3.61 0.00 0.00 35.95 39.23 3he3 h PHE 39 CO 0.00 0.70 -0.41 0.00 -1.61 0.00 0.00 178.31 176.99 3he3 h ALA 40 N 1.25 -1.14 -0.72 2.45 0.00 -1.91 -2.22 119.26 116.97 3he3 h ALA 40 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3he3 h ALA 40 Cb -0.03 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3he3 h ALA 40 CO -0.05 -1.13 0.20 0.78 0.00 0.00 0.00 179.25 179.05 3he3 h GLY 41 N -1.16 1.21 0.83 0.00 0.00 -1.68 -2.95 103.07 99.31 3he3 h GLY 41 Ca -0.12 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.37 3he3 h GLY 41 CO 0.19 0.69 -0.32 1.76 0.00 0.00 0.00 176.54 178.85 3he3 h SER 42 N 1.07 0.55 0.20 0.19 0.02 -1.27 -1.06 113.55 113.24 3he3 h SER 42 Ca 0.23 -0.56 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3he3 h SER 42 Cb 0.34 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3he3 h SER 42 CO -0.00 1.01 -0.26 0.58 -1.14 0.00 0.00 176.83 177.01 3he3 h VAL 43 N 0.11 0.43 -0.95 2.27 2.07 -1.44 0.92 116.25 119.66 3he3 h VAL 43 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3he3 h VAL 43 Cb 0.92 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3he3 h VAL 43 CO 0.07 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.21 3he3 h LEU 44 N -0.52 1.00 -0.13 2.57 3.38 -1.54 -1.40 115.31 118.66 3he3 h LEU 44 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3he3 h LEU 44 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3he3 h LEU 44 CO -0.10 0.66 0.07 0.00 0.09 0.00 0.00 178.44 179.16 3he3 h ALA 45 N 1.47 0.17 -0.64 1.53 0.00 -0.69 0.27 119.26 121.37 3he3 h ALA 45 Ca 0.40 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3he3 h ALA 45 Cb 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3he3 h ALA 45 CO -0.14 -0.30 0.40 1.49 0.00 0.00 0.00 179.25 180.69 3he3 h GLU 46 N 0.12 0.77 0.50 0.00 4.22 -0.27 0.24 114.58 120.15 3he3 h GLU 46 Ca 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3he3 h GLU 46 Cb 0.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3he3 h GLU 46 CO -0.01 0.51 -0.24 0.00 -2.18 0.00 0.00 179.01 177.09 3he3 h ARG 47 N 0.79 -0.64 -0.65 1.92 2.47 -1.14 -2.03 114.38 115.11 3he3 h ARG 47 Ca 0.25 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.15 3he3 h ARG 47 Cb -0.00 0.15 -0.11 0.00 -1.65 0.00 0.00 29.97 28.36 3he3 h ARG 47 CO -0.09 -0.34 0.01 -0.07 0.56 0.00 0.00 179.97 180.04 3he3 h LEU 48 N -1.03 -0.27 -0.81 3.04 4.07 -0.91 -2.14 115.31 117.25 3he3 h LEU 48 Ca -0.07 0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 3he3 h LEU 48 Cb 0.60 0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.58 3he3 h LEU 48 CO 0.11 -0.12 0.29 0.00 -1.08 0.00 0.00 178.44 177.64 3he3 h ALA 49 N 1.59 1.05 0.00 1.53 0.00 -0.95 -1.79 119.26 120.69 3he3 h ALA 49 Ca 0.34 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3he3 h ALA 49 Cb 0.56 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3he3 h ALA 49 CO -0.55 0.66 -0.00 0.66 0.00 0.00 0.00 179.25 180.02 3he3 h SER 50 N 1.13 0.00 -0.51 0.00 4.64 -0.72 -1.90 113.55 116.19 3he3 h SER 50 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 3he3 h SER 50 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3he3 h SER 50 CO -0.02 0.00 0.03 -1.54 -0.87 0.00 0.00 176.83 174.43 3he3 n SER 51 N -3.10 5.01 0.00 4.97 3.41 -0.70 -4.92 113.62 118.30 3he3 n SER 51 Ca -0.00 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 3he3 n SER 51 Cb 0.24 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3he3 n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3he3 n GLY 52 N 0.47 0.82 3.79 5.00 0.00 -0.71 -5.05 105.19 109.50 3he3 n GLY 52 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3he3 n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3he3 s GLN 53 N -0.71 3.85 -0.27 1.61 -1.52 -1.03 -5.00 119.66 116.60 3he3 s GLN 53 Ca 0.00 1.42 -0.17 0.00 -1.95 0.00 0.00 55.36 54.66 3he3 s GLN 53 Cb 0.00 -2.20 -0.03 0.00 -0.22 0.00 0.00 33.01 30.56 3he3 s GLN 53 CO 0.00 -0.40 0.48 1.03 -0.25 0.00 0.00 175.29 176.15 3he3 s ARG 54 N -3.06 4.02 -0.09 2.91 0.52 -1.26 -4.31 118.95 117.69 3he3 s ARG 54 Ca 0.65 0.21 0.03 0.00 -0.52 0.00 0.00 55.73 56.11 3he3 s ARG 54 Cb -0.18 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 3he3 s ARG 54 CO 0.22 -0.35 -0.18 0.08 0.02 0.00 0.00 175.30 175.09 3he3 s VAL 55 N 2.25 2.65 -0.29 3.52 1.01 0.64 -1.36 120.40 128.82 3he3 s VAL 55 Ca 0.19 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3he3 s VAL 55 Cb -0.16 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3he3 s VAL 55 CO 0.10 0.56 0.03 -0.22 0.00 0.00 0.00 175.10 175.56 3he3 s LEU 56 N -0.03 3.72 -0.22 3.92 2.96 -0.33 -1.18 118.68 127.52 3he3 s LEU 56 Ca -0.05 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 52.92 3he3 s LEU 56 Cb -0.14 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3he3 s LEU 56 CO 0.04 -0.20 0.05 -0.51 -1.32 0.00 0.00 176.35 174.41 3he3 s ILE 57 N 1.41 4.32 0.10 6.68 2.07 0.33 -0.70 121.20 135.41 3he3 s ILE 57 Ca 0.00 -0.18 0.09 0.00 -1.41 0.00 0.00 60.65 59.16 3he3 s ILE 57 Cb -0.18 -2.98 -0.04 0.00 0.13 0.00 0.00 42.46 39.39 3he3 s ILE 57 CO 0.00 0.39 -0.21 0.54 -1.91 0.00 0.00 174.94 173.75 3he3 s VAL 58 N 1.12 2.59 -0.11 4.00 0.11 0.37 -0.48 120.40 128.01 3he3 s VAL 58 Ca 0.04 -1.51 -0.10 0.00 -2.93 0.00 0.00 61.98 57.47 3he3 s VAL 58 Cb -0.14 -2.15 0.03 0.00 -1.53 0.00 0.00 36.38 32.59 3he3 s VAL 58 CO 0.03 0.16 0.29 -0.62 -3.33 0.00 0.00 175.10 171.63 3he3 s ASP 59 N -1.91 -0.30 0.52 3.54 -1.08 -0.42 0.38 116.67 117.40 3he3 s ASP 59 Ca 0.16 0.58 0.31 0.00 -0.52 0.00 0.00 52.55 53.08 3he3 s ASP 59 Cb -0.10 0.59 1.20 0.00 -1.46 0.00 0.00 42.92 43.15 3he3 s ASP 59 CO 0.07 -0.11 1.92 0.08 0.52 0.00 0.00 175.17 177.66 3he3 h ARG 60 N 5.64 0.00 -7.13 4.34 0.11 -1.85 -0.98 114.38 114.51 3he3 h ARG 60 Ca -0.26 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.35 3he3 h ARG 60 Cb 1.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.28 3he3 h ARG 60 CO 0.32 0.04 0.34 1.03 0.10 0.00 0.00 179.97 181.80 3he3 s ARG 61 N -3.62 3.96 0.00 0.08 0.52 -1.26 -3.74 118.95 114.88 3he3 s ARG 61 Ca 0.02 0.91 0.19 0.00 -0.52 0.00 0.00 55.73 56.32 3he3 s ARG 61 Cb 0.09 -2.18 0.96 0.00 0.52 0.00 0.00 34.95 34.34 3he3 s ARG 61 CO 0.57 -0.21 1.57 -2.30 0.02 0.00 0.00 175.30 174.95 3he3 n PRO 62 N -1.43 0.29 -4.21 3.54 -0.02 -1.26 -1.97 135.00 129.93 3he3 n PRO 62 Ca 0.06 0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3he3 n PRO 62 Cb 0.54 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.42 3he3 n PRO 62 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3he3 s HIS 63 N -2.53 1.09 0.64 6.00 -3.43 -1.26 -4.79 115.29 111.00 3he3 s HIS 63 Ca 0.18 -0.85 -0.02 0.00 -0.80 0.00 0.00 55.06 53.57 3he3 s HIS 63 Cb 0.13 -0.59 0.07 0.00 -1.43 0.00 0.00 32.58 30.75 3he3 s HIS 63 CO 0.28 -0.05 0.91 0.96 -2.00 0.00 0.00 174.74 174.84 3he3 s ILE 64 N -3.49 2.42 0.00 -5.38 -4.36 -1.26 -4.65 121.20 104.48 3he3 s ILE 64 Ca 0.15 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 3he3 s ILE 64 Cb 0.04 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.84 3he3 s ILE 64 CO -0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.77 3he3 n GLY 65 N -2.66 1.45 7.00 6.27 0.00 0.59 -4.64 105.19 113.20 3he3 n GLY 65 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3he3 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3he3 n GLY 66 N -1.55 3.52 0.21 -0.02 0.00 -1.18 -1.91 105.19 104.27 3he3 n GLY 66 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.03 3he3 n GLY 66 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3he3 h ASN 67 N 0.00 0.00 0.03 1.61 2.35 -1.93 -3.10 115.58 114.54 3he3 h ASN 67 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3he3 h ASN 67 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3he3 h ASN 67 CO 0.00 0.26 -0.01 0.00 -1.65 0.00 0.00 177.43 176.03 3he3 n ALA 68 N -2.24 2.65 -1.61 -0.83 0.00 -0.80 -4.58 120.51 113.11 3he3 n ALA 68 Ca 0.00 -0.31 -0.48 0.00 0.00 0.00 0.00 53.44 52.65 3he3 n ALA 68 Cb 0.46 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 3he3 n ALA 68 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3he3 n TYR 69 N -0.49 1.59 -4.13 0.00 9.36 -1.17 -4.59 117.16 117.73 3he3 n TYR 69 Ca 0.21 0.59 -0.16 0.00 3.32 0.00 0.00 57.90 61.85 3he3 n TYR 69 Cb 0.23 -2.35 -0.12 0.00 -0.63 0.00 0.00 39.34 36.48 3he3 n TYR 69 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 3he3 s ASP 70 N 0.21 1.37 0.18 2.98 3.84 -1.26 -4.14 116.67 119.84 3he3 s ASP 70 Ca 0.74 -0.60 -0.17 0.00 -0.00 0.00 0.00 52.55 52.53 3he3 s ASP 70 Cb -0.81 -0.02 0.03 0.00 -1.38 0.00 0.00 42.92 40.74 3he3 s ASP 70 CO 0.50 -0.13 0.48 0.00 -0.00 0.00 0.00 175.17 176.02 3he3 s TYR 72 N -3.86 3.64 0.08 0.00 2.02 -1.26 -0.53 117.35 117.43 3he3 s TYR 72 Ca 0.08 1.39 -0.01 0.00 -0.37 0.00 0.00 57.07 58.16 3he3 s TYR 72 Cb 0.00 -2.86 0.02 0.00 -0.40 0.00 0.00 41.96 38.72 3he3 s TYR 72 CO -0.05 0.13 0.12 -0.40 -1.57 0.00 0.00 175.55 173.78 3he3 n ASP 73 N 3.50 0.07 0.24 2.29 5.68 -0.47 -4.88 116.55 122.99 3he3 n ASP 73 Ca -0.00 -1.08 0.07 0.00 -0.50 0.00 0.00 54.79 53.27 3he3 n ASP 73 Cb 0.51 -0.08 0.56 0.00 -1.14 0.00 0.00 41.12 40.97 3he3 n ASP 73 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3he3 h ASP 74 N -0.12 0.00 0.68 -1.12 3.32 -1.98 -1.50 116.42 115.70 3he3 h ASP 74 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3he3 h ASP 74 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3he3 h ASP 74 CO 0.03 0.11 -0.15 0.00 -1.72 0.00 0.00 179.24 177.51 3he3 n ALA 75 N -2.51 2.75 -0.49 3.45 0.00 -1.26 -4.90 120.51 117.55 3he3 n ALA 75 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3he3 n ALA 75 Cb 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3he3 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he3 n GLY 76 N 1.43 0.72 3.70 0.00 0.00 -0.57 -5.00 105.19 105.47 3he3 n GLY 76 Ca 0.09 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3he3 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3he3 s VAL 77 N -2.00 5.32 -0.08 1.61 1.01 -1.26 -4.81 120.40 120.18 3he3 s VAL 77 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 3he3 s VAL 77 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3he3 s VAL 77 CO 0.00 0.37 1.63 -0.22 0.00 0.00 0.00 175.10 176.88 3he3 s LEU 78 N 0.73 4.24 0.41 3.92 2.96 -1.26 -1.37 118.68 128.32 3he3 s LEU 78 Ca 0.13 2.12 0.03 0.00 -0.22 0.00 0.00 54.13 56.19 3he3 s LEU 78 Cb -0.13 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 3he3 s LEU 78 CO 0.03 -0.97 0.10 0.27 -1.32 0.00 0.00 176.35 174.46 3he3 s ILE 79 N 4.22 0.74 -0.36 6.68 -4.36 0.30 -4.77 121.20 123.67 3he3 s ILE 79 Ca 0.72 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.14 3he3 s ILE 79 Cb -0.31 -2.37 0.10 0.00 1.25 0.00 0.00 42.46 41.13 3he3 s ILE 79 CO 0.29 0.00 0.08 -1.00 0.24 0.00 0.00 174.94 174.55 3he3 s HIS 80 N -3.17 3.73 0.53 1.37 3.76 -1.26 -2.24 115.29 118.01 3he3 s HIS 80 Ca 0.23 -2.92 0.30 0.00 -0.15 0.00 0.00 55.06 52.52 3he3 s HIS 80 Cb 0.03 -2.98 1.46 0.00 1.11 0.00 0.00 32.58 32.20 3he3 s HIS 80 CO 0.13 -0.95 1.91 -1.35 -0.85 0.00 0.00 174.74 173.63 3he3 h PRO 81 N 7.65 0.01 -0.62 8.40 0.11 -1.92 -1.28 132.00 144.36 3he3 h PRO 81 Ca -0.05 -0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.73 3he3 h PRO 81 Cb 1.02 -0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.93 3he3 h PRO 81 CO 0.55 0.01 0.20 0.66 -0.21 0.00 0.00 178.00 179.21 3he3 n TYR 82 N -4.29 1.91 0.00 0.65 4.02 -1.26 -4.92 117.16 113.27 3he3 n TYR 82 Ca 0.17 -1.75 0.00 0.00 -0.01 0.00 0.00 57.90 56.31 3he3 n TYR 82 Cb 0.89 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 3he3 n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3he3 n GLY 83 N -1.13 1.48 3.65 2.72 0.00 -0.48 -4.94 105.19 106.49 3he3 n GLY 83 Ca 0.44 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3he3 n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3he3 s PRO 84 N -2.87 3.90 -0.41 1.61 0.04 -1.26 -4.74 135.00 131.28 3he3 s PRO 84 Ca 0.00 2.48 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 3he3 s PRO 84 Cb 0.00 -4.21 0.11 0.00 0.04 0.00 0.00 34.50 30.44 3he3 s PRO 84 CO 0.00 -1.23 0.20 -1.01 0.04 0.00 0.00 177.00 175.00 3he3 s HIS 85 N 5.37 3.59 -0.23 0.56 3.76 -1.26 -5.09 115.29 121.99 3he3 s HIS 85 Ca 0.91 -2.42 -0.11 0.00 -0.15 0.00 0.00 55.06 53.29 3he3 s HIS 85 Cb -0.40 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.03 3he3 s HIS 85 CO 0.40 -0.97 0.18 0.42 -0.85 0.00 0.00 174.74 173.92 3he3 s ILE 86 N 1.14 5.35 -0.05 0.60 1.09 -1.26 -5.07 121.20 122.99 3he3 s ILE 86 Ca 0.08 0.23 -0.22 0.00 -1.10 0.00 0.00 60.65 59.64 3he3 s ILE 86 Cb -0.23 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 3he3 s ILE 86 CO -0.04 0.34 0.66 0.12 -0.10 0.00 0.00 174.94 175.93 3he3 s PHE 87 N 1.02 3.60 -0.04 3.97 5.36 -1.26 -4.97 117.98 125.66 3he3 s PHE 87 Ca 0.09 1.22 -0.21 0.00 -0.96 0.00 0.00 56.93 57.06 3he3 s PHE 87 Cb -0.13 -2.75 0.04 0.00 -0.34 0.00 0.00 43.02 39.84 3he3 s PHE 87 CO 0.04 0.15 0.46 -3.38 -1.46 0.00 0.00 175.22 171.04 3he3 s HIS 88 N 0.56 -0.39 -0.08 10.12 -3.43 -1.26 -3.13 115.29 117.68 3he3 s HIS 88 Ca 0.35 0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 54.99 3he3 s HIS 88 Cb -0.18 0.22 0.09 0.00 -1.43 0.00 0.00 32.58 31.29 3he3 s HIS 88 CO 0.17 -0.46 0.80 -0.08 -2.00 0.00 0.00 174.74 173.18 3he3 s THR 89 N -1.15 0.00 -1.89 -5.38 -1.32 -0.25 -4.51 115.64 101.14 3he3 s THR 89 Ca -0.12 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.58 3he3 s THR 89 Cb -0.03 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.94 3he3 s THR 89 CO 0.06 0.00 1.03 0.59 -2.21 0.00 0.00 174.62 174.09 3he3 n ASN 90 N 0.72 1.91 -4.51 8.08 3.02 -1.26 -1.08 115.26 122.14 3he3 n ASN 90 Ca -0.15 -1.46 -0.43 0.00 -0.03 0.00 0.00 54.58 52.51 3he3 n ASN 90 Cb 0.58 0.50 -0.07 0.00 -0.61 0.00 0.00 39.78 40.18 3he3 n ASN 90 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3he3 s SER 91 N -2.39 6.30 0.29 6.41 0.15 -1.26 -4.86 113.70 118.33 3he3 s SER 91 Ca 0.17 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.43 3he3 s SER 91 Cb 0.17 -2.30 0.55 0.00 -1.71 0.00 0.00 66.02 62.73 3he3 s SER 91 CO 0.55 -0.73 1.85 0.50 1.20 0.00 0.00 173.24 176.61 3he3 h LYS 92 N 8.83 0.98 -0.34 5.44 3.64 -1.99 -2.29 116.57 130.84 3he3 h LYS 92 Ca -0.26 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 58.91 3he3 h LYS 92 Cb 1.10 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3he3 h LYS 92 CO 0.87 0.65 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.86 3he3 h ASP 93 N 1.01 0.88 -0.51 4.20 3.32 -1.99 -0.20 116.42 123.13 3he3 h ASP 93 Ca 0.48 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3he3 h ASP 93 Cb 0.43 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3he3 h ASP 93 CO -0.24 1.17 0.06 0.58 -1.72 0.00 0.00 179.24 179.09 3he3 h VAL 94 N 0.68 1.25 -0.35 -1.35 2.07 -1.91 -1.73 116.25 114.91 3he3 h VAL 94 Ca 0.05 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3he3 h VAL 94 Cb 0.97 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3he3 h VAL 94 CO 0.09 0.35 -0.02 0.15 0.02 0.00 0.00 177.57 178.16 3he3 h PHE 95 N 0.74 0.70 0.00 1.57 3.04 -1.18 -1.84 116.94 119.97 3he3 h PHE 95 Ca 0.15 -0.13 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 3he3 h PHE 95 Cb 0.43 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 3he3 h PHE 95 CO 0.03 0.76 -0.34 0.93 -2.02 0.00 0.00 178.31 177.67 3he3 h GLU 96 N 0.44 0.00 -0.11 1.11 5.08 -1.03 -0.35 114.58 119.73 3he3 h GLU 96 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3he3 h GLU 96 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3he3 h GLU 96 CO 0.02 0.34 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.35 3he3 h TYR 97 N 0.00 0.31 -0.29 4.33 3.20 -1.12 -3.11 116.97 120.29 3he3 h TYR 97 Ca -0.00 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 3he3 h TYR 97 Cb 0.74 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3he3 h TYR 97 CO 0.00 0.68 0.11 -0.07 -1.64 0.00 0.00 178.16 177.23 3he3 h LEU 98 N -0.14 0.36 -1.28 2.82 4.07 -1.11 -2.24 115.31 117.79 3he3 h LEU 98 Ca 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3he3 h LEU 98 Cb 0.62 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3he3 h LEU 98 CO 0.03 0.34 0.00 -1.20 -1.08 0.00 0.00 178.44 176.52 3he3 n SER 99 N -4.41 0.57 0.14 -0.43 7.64 -0.16 -1.41 113.62 115.56 3he3 n SER 99 Ca 0.01 0.74 0.13 0.00 1.01 0.00 0.00 58.87 60.76 3he3 n SER 99 Cb 0.14 -0.82 0.46 0.00 -1.01 0.00 0.00 64.21 62.97 3he3 n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3he3 h ARG 100 N 0.00 0.00 0.00 1.43 3.08 -1.45 -3.31 114.38 114.13 3he3 h ARG 100 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3he3 h ARG 100 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3he3 h ARG 100 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3he3 n PHE 101 N -2.40 0.00 -3.52 3.04 3.01 -0.50 -5.06 117.46 112.03 3he3 n PHE 101 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.32 3he3 n PHE 101 Cb 0.34 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.75 3he3 n PHE 101 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3he3 s THR 102 N -0.04 0.00 0.63 4.37 -1.32 -1.17 -4.48 115.64 113.64 3he3 s THR 102 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 3he3 s THR 102 Cb 0.00 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.04 3he3 s THR 102 CO 0.00 0.00 0.90 -1.61 -2.21 0.00 0.00 174.62 171.70 3he3 s GLU 103 N -1.26 2.35 0.09 7.08 2.02 -1.26 -4.53 118.70 123.19 3he3 s GLU 103 Ca -0.10 -0.52 0.09 0.00 0.02 0.00 0.00 54.97 54.46 3he3 s GLU 103 Cb -0.00 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 3he3 s GLU 103 CO 0.09 -0.99 -0.24 -1.58 0.02 0.00 0.00 175.26 172.56 3he3 s TRP 104 N -3.01 2.05 -0.34 1.61 0.52 -1.26 -0.31 118.94 118.19 3he3 s TRP 104 Ca 0.59 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 56.29 3he3 s TRP 104 Cb -0.10 -1.16 0.07 0.00 -1.15 0.00 0.00 33.47 31.13 3he3 s TRP 104 CO 0.42 0.21 0.09 0.50 0.02 0.00 0.00 176.95 178.18 3he3 s ARG 105 N -1.67 2.28 0.01 4.98 3.52 0.55 -4.71 118.95 123.91 3he3 s ARG 105 Ca 0.10 -1.46 -0.36 0.00 -0.13 0.00 0.00 55.73 53.88 3he3 s ARG 105 Cb -0.10 -3.36 -0.15 0.00 -1.56 0.00 0.00 34.95 29.78 3he3 s ARG 105 CO 0.04 -0.79 1.55 -2.30 -0.81 0.00 0.00 175.30 172.98 3he3 n PRO 106 N 4.63 1.53 -3.66 5.12 -0.02 -1.26 -0.98 135.00 140.37 3he3 n PRO 106 Ca -0.09 0.56 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3he3 n PRO 106 Cb 0.43 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 3he3 n PRO 106 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3he3 s TYR 107 N 1.63 -1.02 -0.38 6.00 5.04 -1.04 -4.87 117.35 122.72 3he3 s TYR 107 Ca 0.87 1.91 -0.06 0.00 -2.44 0.00 0.00 57.07 57.34 3he3 s TYR 107 Cb -0.87 0.55 0.08 0.00 0.35 0.00 0.00 41.96 42.06 3he3 s TYR 107 CO 0.49 -0.54 0.18 -0.65 -1.34 0.00 0.00 175.55 173.69 3he3 s GLN 108 N 2.31 2.42 0.32 4.97 -0.21 -1.26 -3.95 119.66 124.27 3he3 s GLN 108 Ca -0.06 -1.48 -0.29 0.00 0.02 0.00 0.00 55.36 53.55 3he3 s GLN 108 Cb -0.10 -3.58 -0.12 0.00 1.00 0.00 0.00 33.01 30.21 3he3 s GLN 108 CO -0.17 -0.88 1.46 1.58 -2.12 0.00 0.00 175.29 175.16 3he3 n HIS 109 N 4.77 2.67 -4.48 0.91 -0.00 -1.26 -4.90 115.22 112.92 3he3 n HIS 109 Ca -0.09 0.41 -0.21 0.00 -0.00 0.00 0.00 57.72 57.83 3he3 n HIS 109 Cb 0.43 -2.51 -0.16 0.00 -0.00 0.00 0.00 29.99 27.75 3he3 n HIS 109 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3he3 s ARG 110 N -1.34 1.12 -0.04 1.57 0.52 -1.26 -1.33 118.95 118.19 3he3 s ARG 110 Ca 0.59 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 55.49 3he3 s ARG 110 Cb -0.53 -1.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 3he3 s ARG 110 CO 0.57 0.15 -0.23 0.08 0.02 0.00 0.00 175.30 175.89 3he3 s VAL 111 N 0.13 1.86 0.07 3.52 1.01 -1.26 -3.62 120.40 122.12 3he3 s VAL 111 Ca -0.03 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.03 3he3 s VAL 111 Cb -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3he3 s VAL 111 CO 0.01 0.52 -0.08 -0.76 0.00 0.00 0.00 175.10 174.80 3he3 s LEU 112 N -0.30 3.13 -0.11 3.92 1.02 -0.90 -2.99 118.68 122.44 3he3 s LEU 112 Ca 0.02 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 53.90 3he3 s LEU 112 Cb -0.11 -1.88 -0.02 0.00 0.02 0.00 0.00 46.19 44.20 3he3 s LEU 112 CO 0.01 0.21 -0.13 0.00 0.02 0.00 0.00 176.35 176.46 3he3 s ALA 113 N -1.15 2.62 -0.91 4.21 0.00 0.21 0.05 121.76 126.80 3he3 s ALA 113 Ca 0.20 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 3he3 s ALA 113 Cb -0.11 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.92 3he3 s ALA 113 CO 0.12 0.31 1.28 0.45 0.00 0.00 0.00 175.76 177.91 3he3 s SER 114 N 0.15 6.44 -0.07 0.00 0.15 -0.15 -0.52 113.70 119.70 3he3 s SER 114 Ca -0.07 -1.40 0.03 0.00 0.70 0.00 0.00 55.95 55.21 3he3 s SER 114 Cb -0.15 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 3he3 s SER 114 CO 0.05 -1.43 -0.16 -0.69 1.20 0.00 0.00 173.24 172.21 3he3 s VAL 115 N 4.36 1.40 -1.36 4.45 1.01 -0.16 -4.47 120.40 125.63 3he3 s VAL 115 Ca 0.38 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3he3 s VAL 115 Cb -0.05 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3he3 s VAL 115 CO -0.04 0.41 0.15 0.47 0.00 0.00 0.00 175.10 176.10 3he3 n ASP 116 N 3.64 -4.77 -0.10 3.32 9.92 -1.26 -0.43 116.55 126.87 3he3 n ASP 116 Ca -0.21 -0.01 -0.01 0.00 -0.53 0.00 0.00 54.79 54.03 3he3 n ASP 116 Cb 0.52 -3.98 -0.01 0.00 -0.64 0.00 0.00 41.12 37.02 3he3 n ASP 116 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3he3 n GLY 117 N -1.01 0.50 3.57 0.44 0.00 -1.26 -5.03 105.19 102.40 3he3 n GLY 117 Ca -0.15 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3he3 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3he3 s GLN 118 N -1.03 2.05 -0.46 1.61 -0.21 0.42 -5.10 119.66 116.95 3he3 s GLN 118 Ca 0.00 -1.42 -0.11 0.00 0.02 0.00 0.00 55.36 53.85 3he3 s GLN 118 Cb 0.00 -2.08 0.10 0.00 1.00 0.00 0.00 33.01 32.03 3he3 s GLN 118 CO 0.00 0.39 0.34 -0.51 -2.12 0.00 0.00 175.29 173.39 3he3 s LEU 119 N -3.24 5.53 0.05 2.90 1.43 -1.26 -0.98 118.68 123.12 3he3 s LEU 119 Ca 0.28 -1.65 0.07 0.00 -1.03 0.00 0.00 54.13 51.80 3he3 s LEU 119 Cb -0.07 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 3he3 s LEU 119 CO 0.17 -0.64 -0.16 -0.76 0.23 0.00 0.00 176.35 175.18 3he3 s LEU 120 N 1.46 2.75 0.10 1.79 1.02 0.32 -4.78 118.68 121.33 3he3 s LEU 120 Ca 0.04 -0.40 -0.31 0.00 0.02 0.00 0.00 54.13 53.48 3he3 s LEU 120 Cb -0.25 -1.60 -0.09 0.00 0.02 0.00 0.00 46.19 44.27 3he3 s LEU 120 CO 0.02 0.24 1.76 -2.84 0.02 0.00 0.00 176.35 175.55 3he3 s PRO 121 N -1.60 4.16 -0.09 1.29 0.02 -1.26 0.67 135.00 138.19 3he3 s PRO 121 Ca 0.16 2.49 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3he3 s PRO 121 Cb -0.11 -3.60 0.01 0.00 0.02 0.00 0.00 34.50 30.82 3he3 s PRO 121 CO 0.07 -0.80 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.25 3he3 s ILE 122 N 2.72 1.68 0.60 2.83 1.10 -1.16 -3.95 121.20 125.02 3he3 s ILE 122 Ca 0.78 -0.79 -0.20 0.00 -0.51 0.00 0.00 60.65 59.94 3he3 s ILE 122 Cb -0.43 -1.49 -0.03 0.00 0.15 0.00 0.00 42.46 40.66 3he3 s ILE 122 CO 0.35 0.48 1.29 -2.65 -2.11 0.00 0.00 174.94 172.30 3he3 n PRO 123 N 3.76 1.34 -1.68 3.50 -0.02 -1.26 -4.39 135.00 136.25 3he3 n PRO 123 Ca -0.20 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.35 3he3 n PRO 123 Cb 0.52 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 3he3 n PRO 123 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3he3 n ILE 124 N -1.52 0.39 -3.64 4.25 5.41 -1.25 -4.85 119.36 118.13 3he3 n ILE 124 Ca 0.13 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3he3 n ILE 124 Cb 0.46 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 3he3 n ILE 124 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3he3 n ASN 125 N 5.68 0.50 -0.10 4.38 0.23 -1.26 -0.64 115.26 124.05 3he3 n ASN 125 Ca 0.19 -0.64 -0.06 0.00 -0.53 0.00 0.00 54.58 53.53 3he3 n ASN 125 Cb 0.35 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.06 3he3 n ASN 125 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3he3 h LEU 126 N 0.00 0.04 -1.23 -4.53 6.46 -1.09 -2.44 115.31 112.53 3he3 h LEU 126 Ca 0.00 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.73 3he3 h LEU 126 Cb 0.00 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 3he3 h LEU 126 CO 0.00 0.06 -0.38 0.44 -0.62 0.00 0.00 178.44 177.94 3he3 h ASP 127 N 0.21 0.00 0.54 1.25 3.32 -1.94 -1.51 116.42 118.29 3he3 h ASP 127 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3he3 h ASP 127 Cb 0.17 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3he3 h ASP 127 CO -0.20 0.38 -0.26 0.74 -1.72 0.00 0.00 179.24 178.18 3he3 h THR 128 N 0.00 0.42 -0.66 0.35 2.02 -1.74 0.13 112.91 113.43 3he3 h THR 128 Ca -0.00 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.97 3he3 h THR 128 Cb 0.70 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3he3 h THR 128 CO 0.05 0.04 0.38 0.58 0.37 0.00 0.00 175.52 176.94 3he3 h VAL 129 N -0.89 1.02 -0.25 3.16 2.07 -1.38 -0.91 116.25 119.08 3he3 h VAL 129 Ca -0.07 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3he3 h VAL 129 Cb 0.62 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3he3 h VAL 129 CO 0.12 0.13 0.06 0.78 0.02 0.00 0.00 177.57 178.69 3he3 h ASN 130 N 0.73 0.37 0.60 0.57 2.35 -1.20 -2.45 115.58 116.56 3he3 h ASN 130 Ca 0.28 -0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 3he3 h ASN 130 Cb 0.11 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3he3 h ASN 130 CO -0.14 0.50 -0.68 0.03 -1.65 0.00 0.00 177.43 175.48 3he3 h ARG 131 N 0.22 0.07 -0.04 0.81 3.08 -0.84 -1.39 114.38 116.29 3he3 h ARG 131 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3he3 h ARG 131 Cb 0.27 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3he3 h ARG 131 CO 0.00 0.73 -0.04 1.25 -1.07 0.00 0.00 179.97 180.84 3he3 h LEU 132 N 0.05 0.11 -0.19 3.04 5.85 -1.09 -3.34 115.31 119.74 3he3 h LEU 132 Ca -0.01 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3he3 h LEU 132 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3he3 h LEU 132 CO 0.09 0.57 -0.89 -1.22 -0.34 0.00 0.00 178.44 176.65 3he3 n TYR 133 N -4.77 0.00 -1.63 1.25 4.01 -0.93 -4.97 117.16 110.12 3he3 n TYR 133 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3he3 n TYR 133 Cb 0.28 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 3he3 n TYR 133 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3he3 n GLY 134 N 1.48 0.38 3.94 2.72 0.00 -0.60 -5.06 105.19 108.05 3he3 n GLY 134 Ca 0.05 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 3he3 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3he3 s LEU 135 N 0.00 2.97 -0.31 0.99 1.43 -0.75 -5.02 118.68 117.99 3he3 s LEU 135 Ca 0.00 0.39 0.13 0.00 -1.03 0.00 0.00 54.13 53.62 3he3 s LEU 135 Cb 0.00 -3.11 0.47 0.00 0.03 0.00 0.00 46.19 43.58 3he3 s LEU 135 CO 0.00 -1.43 1.13 0.59 0.23 0.00 0.00 176.35 176.86 3he3 n ASN 136 N -2.76 3.46 -4.77 2.29 3.02 -1.26 -4.69 115.26 110.55 3he3 n ASN 136 Ca 0.07 -3.09 -0.32 0.00 -0.03 0.00 0.00 54.58 51.22 3he3 n ASN 136 Cb 0.60 -0.42 0.07 0.00 -0.61 0.00 0.00 39.78 39.42 3he3 n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3he3 s LEU 137 N -3.60 3.17 0.29 3.41 1.43 -1.26 -5.07 118.68 117.05 3he3 s LEU 137 Ca 0.40 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.43 3he3 s LEU 137 Cb 0.39 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 3he3 s LEU 137 CO -0.02 -1.83 0.36 0.42 0.23 0.00 0.00 176.35 175.51 3he3 s THR 138 N -2.72 4.42 0.31 5.49 -4.23 -1.26 -4.93 115.64 112.72 3he3 s THR 138 Ca 0.63 -1.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.10 3he3 s THR 138 Cb -0.18 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.46 3he3 s THR 138 CO 0.51 -0.24 1.68 0.28 -0.54 0.00 0.00 174.62 176.30 3he3 h SER 139 N 1.13 0.40 -0.04 3.99 0.02 -1.97 0.10 113.55 117.18 3he3 h SER 139 Ca -0.48 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3he3 h SER 139 Cb 1.24 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 3he3 h SER 139 CO 0.58 -0.06 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.94 3he3 h PHE 140 N 0.37 0.09 -0.34 3.45 0.04 -1.94 -3.08 116.94 115.53 3he3 h PHE 140 Ca 0.64 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.37 3he3 h PHE 140 Cb 1.33 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.44 3he3 h PHE 140 CO -0.09 0.40 0.11 1.96 -0.60 0.00 0.00 178.31 180.09 3he3 h GLN 141 N -0.24 0.48 0.00 1.51 4.20 -1.57 -2.73 115.11 116.76 3he3 h GLN 141 Ca 0.01 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3he3 h GLN 141 Cb 0.36 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3he3 h GLN 141 CO 0.00 0.42 -0.36 -0.24 -0.67 0.00 0.00 178.83 177.99 3he3 h VAL 142 N 0.48 0.96 -0.17 -0.54 3.04 -0.96 -1.55 116.25 117.51 3he3 h VAL 142 Ca 0.12 -1.38 -0.01 0.00 -1.01 0.00 0.00 66.70 64.41 3he3 h VAL 142 Cb 0.14 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 3he3 h VAL 142 CO -0.01 0.35 0.05 -0.08 -1.01 0.00 0.00 177.57 176.87 3he3 h GLU 143 N 0.00 0.27 -0.35 4.17 4.81 -1.40 -1.47 114.58 120.61 3he3 h GLU 143 Ca -0.00 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3he3 h GLU 143 Cb 0.78 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3he3 h GLU 143 CO 0.05 0.40 -0.12 0.93 -0.73 0.00 0.00 179.01 179.53 3he3 h GLU 144 N 0.09 0.60 -0.61 1.92 5.08 -1.55 -2.27 114.58 117.83 3he3 h GLU 144 Ca 0.05 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3he3 h GLU 144 Cb 0.24 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3he3 h GLU 144 CO -0.00 0.71 0.37 0.35 -1.00 0.00 0.00 179.01 179.44 3he3 h PHE 145 N 0.55 0.81 -0.58 4.33 3.57 -1.04 -1.18 116.94 123.40 3he3 h PHE 145 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3he3 h PHE 145 Cb 0.53 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 3he3 h PHE 145 CO 0.02 0.55 0.34 0.74 -2.23 0.00 0.00 178.31 177.73 3he3 h PHE 146 N 0.83 0.78 -0.09 0.41 0.04 -1.07 -2.33 116.94 115.52 3he3 h PHE 146 Ca 0.22 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.01 3he3 h PHE 146 Cb -0.02 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 3he3 h PHE 146 CO -0.02 0.55 0.07 0.00 -0.60 0.00 0.00 178.31 178.32 3he3 h ALA 147 N 1.16 1.90 0.00 2.45 0.00 -0.79 0.88 119.26 124.86 3he3 h ALA 147 Ca 0.21 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3he3 h ALA 147 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3he3 h ALA 147 CO -0.04 -0.12 -0.54 0.66 0.00 0.00 0.00 179.25 179.22 3he3 h SER 148 N 0.00 0.00 0.00 0.00 4.64 -0.68 -3.33 113.55 114.18 3he3 h SER 148 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 3he3 h SER 148 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3he3 h SER 148 CO -0.00 0.15 -1.91 1.33 -0.87 0.00 0.00 176.83 175.54 3he3 n VAL 149 N -2.98 0.45 -1.66 0.95 0.24 -0.91 -5.00 118.33 109.42 3he3 n VAL 149 Ca 0.01 -0.51 -0.45 0.00 -2.04 0.00 0.00 64.34 61.36 3he3 n VAL 149 Cb 0.61 -0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 3he3 n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3he3 n ALA 150 N -2.30 0.81 -2.63 2.33 0.00 0.26 -4.19 120.51 114.79 3he3 n ALA 150 Ca -0.12 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.34 3he3 n ALA 150 Cb 0.68 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 3he3 n ALA 150 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3he3 s GLU 151 N -0.77 4.22 0.08 0.00 2.02 -0.74 -4.88 118.70 118.63 3he3 s GLU 151 Ca 0.66 0.45 -0.10 0.00 0.02 0.00 0.00 54.97 55.99 3he3 s GLU 151 Cb -0.66 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.14 3he3 s GLU 151 CO 0.53 0.34 0.40 0.21 0.02 0.00 0.00 175.26 176.76 3he3 s LYS 152 N 0.04 3.76 -0.06 1.61 2.47 -1.26 -3.57 119.74 122.73 3he3 s LYS 152 Ca 0.25 0.18 0.02 0.00 -1.56 0.00 0.00 55.97 54.86 3he3 s LYS 152 Cb -0.16 -2.99 0.01 0.00 -1.46 0.00 0.00 37.83 33.24 3he3 s LYS 152 CO 0.11 0.55 -0.12 0.08 0.16 0.00 0.00 175.35 176.14 3he3 s VAL 153 N -1.41 1.06 0.02 4.02 1.01 -1.26 -5.06 120.40 118.79 3he3 s VAL 153 Ca 0.33 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 3he3 s VAL 153 Cb -0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3he3 s VAL 153 CO 0.18 0.33 1.13 -0.33 0.00 0.00 0.00 175.10 176.41 3he3 h GLU 154 N 6.84 -0.15 -5.05 2.72 3.07 -2.03 -3.41 114.58 116.58 3he3 h GLU 154 Ca -0.32 0.01 -0.63 0.00 -0.50 0.00 0.00 59.36 57.92 3he3 h GLU 154 Cb 1.18 0.03 -0.34 0.00 -0.84 0.00 0.00 28.75 28.79 3he3 h GLU 154 CO 0.48 -0.10 -0.86 -1.14 -1.40 0.00 0.00 179.01 175.99 3he3 s GLN 155 N -3.62 2.64 -0.26 2.33 0.74 -1.26 -5.10 119.66 115.13 3he3 s GLN 155 Ca -0.04 -0.73 -0.23 0.00 0.05 0.00 0.00 55.36 54.41 3he3 s GLN 155 Cb 0.01 -2.09 -0.01 0.00 1.10 0.00 0.00 33.01 32.03 3he3 s GLN 155 CO 0.14 0.07 0.76 0.08 -0.55 0.00 0.00 175.29 175.79 3he3 s VAL 156 N 0.62 4.87 0.00 1.34 1.01 -1.26 -4.89 120.40 122.10 3he3 s VAL 156 Ca -0.13 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3he3 s VAL 156 Cb -0.16 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3he3 s VAL 156 CO 0.04 -0.08 0.00 0.54 0.00 0.00 0.00 175.10 175.60 3he3 n ARG 157 N 5.96 0.00 -2.86 2.72 1.74 -1.26 -4.97 116.66 117.99 3he3 n ARG 157 Ca 0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.93 3he3 n ARG 157 Cb 0.48 -0.69 0.03 0.00 -1.02 0.00 0.00 32.46 31.25 3he3 n ARG 157 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3he3 s THR 158 N -1.82 2.81 0.16 0.55 -4.23 -1.26 -1.00 115.64 110.85 3he3 s THR 158 Ca 0.00 -0.86 0.35 0.00 -1.18 0.00 0.00 61.69 60.00 3he3 s THR 158 Cb 0.00 -2.95 0.40 0.00 1.34 0.00 0.00 72.50 71.29 3he3 s THR 158 CO 0.00 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.39 3he3 h SER 159 N 0.37 0.00 0.02 3.99 0.02 0.27 -2.42 113.55 115.80 3he3 h SER 159 Ca -0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3he3 h SER 159 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3he3 h SER 159 CO 0.47 0.00 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.07 3he3 h GLU 160 N 0.00 -0.03 -0.47 3.45 4.81 -1.78 -3.32 114.58 117.25 3he3 h GLU 160 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3he3 h GLU 160 Cb 0.44 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3he3 h GLU 160 CO 0.00 0.56 0.07 -0.44 -0.73 0.00 0.00 179.01 178.47 3he3 h ASP 161 N -0.64 -0.05 -0.56 1.04 3.32 -1.77 -0.51 116.42 117.24 3he3 h ASP 161 Ca -0.00 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3he3 h ASP 161 Cb 0.60 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 3he3 h ASP 161 CO 0.00 0.00 0.37 -0.37 -1.72 0.00 0.00 179.24 177.53 3he3 h VAL 162 N 0.20 1.09 0.00 -1.35 -1.51 -1.62 -1.14 116.25 111.92 3he3 h VAL 162 Ca 0.24 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 3he3 h VAL 162 Cb 0.32 0.34 -0.00 0.00 -2.13 0.00 0.00 31.29 29.82 3he3 h VAL 162 CO -0.33 0.13 -0.34 0.58 -1.23 0.00 0.00 177.57 176.38 3he3 h VAL 163 N 0.69 0.26 -0.79 7.19 2.07 -1.53 -3.36 116.25 120.79 3he3 h VAL 163 Ca 0.22 -1.25 0.18 0.00 0.82 0.00 0.00 66.70 66.68 3he3 h VAL 163 Cb 0.04 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3he3 h VAL 163 CO -0.06 0.09 0.53 0.58 0.02 0.00 0.00 177.57 178.74 3he3 h VAL 164 N -1.00 0.71 0.00 2.57 2.07 -1.12 0.14 116.25 119.62 3he3 h VAL 164 Ca -0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3he3 h VAL 164 Cb 0.44 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3he3 h VAL 164 CO -0.02 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.08 3he3 n SER 165 N -4.44 0.00 -0.00 0.57 3.41 -0.43 -1.80 113.62 110.93 3he3 n SER 165 Ca 0.16 -0.35 -0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3he3 n SER 165 Cb 0.66 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3he3 n SER 165 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3he3 n LYS 166 N -1.20 0.60 -0.07 4.33 5.02 0.36 -4.62 118.16 122.59 3he3 n LYS 166 Ca 0.16 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.47 3he3 n LYS 166 Cb 0.19 -1.01 0.03 0.00 -0.02 0.00 0.00 35.03 34.22 3he3 n LYS 166 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3he3 n VAL 167 N -2.44 0.91 -0.26 -0.18 0.24 -0.38 -4.65 118.33 111.56 3he3 n VAL 167 Ca -0.01 -1.00 0.04 0.00 -2.04 0.00 0.00 64.34 61.32 3he3 n VAL 167 Cb 0.51 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 33.29 3he3 n VAL 167 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3he3 n GLY 168 N -0.58 -1.59 0.08 7.63 0.00 -1.05 -4.27 105.19 105.40 3he3 n GLY 168 Ca 0.04 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 3he3 n GLY 168 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3he3 h ARG 169 N -0.25 0.00 0.07 1.61 2.43 -1.80 -3.05 114.38 113.39 3he3 h ARG 169 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3he3 h ARG 169 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3he3 h ARG 169 CO 0.00 0.80 -0.04 0.22 -1.51 0.00 0.00 179.97 179.45 3he3 h ASP 170 N 0.00 -0.08 -0.36 -3.80 -0.00 -1.94 -0.36 116.42 109.88 3he3 h ASP 170 Ca -0.07 -0.43 -0.01 0.00 -0.00 0.00 0.00 57.03 56.51 3he3 h ASP 170 Cb 1.76 0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 41.09 3he3 h ASP 170 CO 0.11 0.42 0.19 -0.07 -0.00 0.00 0.00 179.24 179.89 3he3 h LEU 171 N -0.61 0.48 -0.60 2.28 3.38 -1.74 -1.11 115.31 117.39 3he3 h LEU 171 Ca -0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3he3 h LEU 171 Cb 0.51 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3he3 h LEU 171 CO 0.02 0.41 0.39 0.22 0.09 0.00 0.00 178.44 179.57 3he3 h TYR 172 N 0.54 0.75 -0.47 1.13 3.20 -1.41 -2.30 116.97 118.40 3he3 h TYR 172 Ca 0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3he3 h TYR 172 Cb 0.05 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3he3 h TYR 172 CO 0.00 0.47 -0.00 -0.91 -1.64 0.00 0.00 178.16 176.08 3he3 h ASN 173 N 0.80 0.75 0.96 -2.11 2.35 0.14 -0.94 115.58 117.53 3he3 h ASN 173 Ca 0.22 -0.18 -0.21 0.00 -0.55 0.00 0.00 56.30 55.58 3he3 h ASN 173 Cb -0.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 3he3 h ASN 173 CO -0.05 0.82 -1.07 0.11 -1.65 0.00 0.00 177.43 175.59 3he3 h LYS 174 N 0.73 0.00 0.00 0.81 1.57 -1.14 -3.37 116.57 115.17 3he3 h LYS 174 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3he3 h LYS 174 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3he3 h LYS 174 CO 0.02 0.86 -1.22 1.19 -0.57 0.00 0.00 179.45 179.73 3he3 n PHE 175 N -3.28 0.00 -0.03 -1.35 3.01 -0.88 -4.75 117.46 110.17 3he3 n PHE 175 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.38 3he3 n PHE 175 Cb 0.94 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 40.24 3he3 n PHE 175 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3he3 n PHE 176 N -1.93 0.00 0.25 1.38 3.72 -0.66 -4.58 117.46 115.64 3he3 n PHE 176 Ca -0.04 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.21 3he3 n PHE 176 Cb 0.40 -0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 38.62 3he3 n PHE 176 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3he3 h ARG 177 N -0.08 -0.60 -0.52 -1.08 2.43 -1.37 -0.14 114.38 113.02 3he3 h ARG 177 Ca -0.15 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3he3 h ARG 177 Cb 1.20 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 3he3 h ARG 177 CO -0.05 -0.33 0.23 0.78 -1.51 0.00 0.00 179.97 179.09 3he3 h GLY 178 N -0.76 0.82 0.98 2.80 0.00 -1.76 -1.79 103.07 103.36 3he3 h GLY 178 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3he3 h GLY 178 CO 0.10 0.40 0.02 -1.82 0.00 0.00 0.00 176.54 175.24 3he3 h TYR 179 N 0.70 0.03 -0.51 5.60 3.20 -1.42 -2.47 116.97 122.09 3he3 h TYR 179 Ca 0.18 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3he3 h TYR 179 Cb 0.16 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3he3 h TYR 179 CO -0.00 0.04 0.29 1.15 -1.64 0.00 0.00 178.16 178.00 3he3 h THR 180 N 0.02 1.17 -0.24 1.81 2.02 -0.85 -1.07 112.91 115.77 3he3 h THR 180 Ca 0.01 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3he3 h THR 180 Cb 0.01 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3he3 h THR 180 CO -0.00 0.18 0.11 0.03 0.37 0.00 0.00 175.52 176.21 3he3 h ARG 181 N 0.68 0.33 0.07 6.66 3.08 -1.27 -0.37 114.38 123.56 3he3 h ARG 181 Ca 0.18 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 59.92 3he3 h ARG 181 Cb 0.03 -0.07 0.03 0.00 0.08 0.00 0.00 29.97 30.04 3he3 h ARG 181 CO -0.03 0.26 -1.16 -0.22 -1.07 0.00 0.00 179.97 177.75 3he3 h LYS 182 N 0.33 0.66 -0.16 0.04 3.64 -0.92 -1.18 116.57 118.98 3he3 h LYS 182 Ca 0.09 -0.80 -0.21 0.00 -1.27 0.00 0.00 60.65 58.45 3he3 h LYS 182 Cb 0.04 0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3he3 h LYS 182 CO -0.01 1.36 -0.75 0.37 -2.27 0.00 0.00 179.45 178.15 3he3 h GLN 183 N 0.33 0.74 0.00 1.90 5.75 -0.80 -3.37 115.11 119.66 3he3 h GLN 183 Ca -0.16 -0.59 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 3he3 h GLN 183 Cb 1.83 0.12 0.00 0.00 1.07 0.00 0.00 27.48 30.49 3he3 h GLN 183 CO 0.22 1.20 -0.74 0.91 -2.65 0.00 0.00 178.83 177.78 3he3 n TRP 184 N -3.93 0.00 -1.95 3.99 7.02 -0.19 -4.80 117.44 117.59 3he3 n TRP 184 Ca -0.07 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.22 3he3 n TRP 184 Cb 0.73 -0.06 -0.05 0.00 -2.42 0.00 0.00 31.31 29.51 3he3 n TRP 184 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3he3 n GLY 185 N 1.40 0.75 2.84 6.99 0.00 -0.45 -4.97 105.19 111.75 3he3 n GLY 185 Ca 0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3he3 n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3he3 s LEU 186 N -4.90 1.66 0.66 0.99 1.02 -1.25 -5.05 118.68 111.82 3he3 s LEU 186 Ca 0.00 0.02 -0.17 0.00 0.02 0.00 0.00 54.13 54.00 3he3 s LEU 186 Cb 0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 46.19 46.19 3he3 s LEU 186 CO 0.00 -0.05 1.19 -0.62 0.02 0.00 0.00 176.35 176.90 3he3 s ASP 187 N 0.38 4.79 0.55 2.29 2.15 -1.26 -3.55 116.67 122.02 3he3 s ASP 187 Ca -0.03 2.32 0.22 0.00 0.43 0.00 0.00 52.55 55.49 3he3 s ASP 187 Cb -0.05 -2.59 1.51 0.00 -0.30 0.00 0.00 42.92 41.50 3he3 s ASP 187 CO -0.01 -1.86 2.18 -0.65 -0.17 0.00 0.00 175.17 174.66 3he3 h PRO 188 N 0.29 0.00 0.00 4.34 0.11 -1.92 -0.35 132.00 134.48 3he3 h PRO 188 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3he3 h PRO 188 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3he3 h PRO 188 CO 0.53 0.00 -0.09 0.66 -0.21 0.00 0.00 178.00 178.89 3he3 h SER 189 N 0.00 0.00 -0.06 -2.05 4.64 -1.91 -1.83 113.55 112.34 3he3 h SER 189 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3he3 h SER 189 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3he3 h SER 189 CO -0.00 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 3he3 n GLU 190 N -3.76 1.60 -4.39 4.77 1.02 -0.14 -4.74 120.64 115.00 3he3 n GLU 190 Ca -0.02 -0.89 -0.29 0.00 -0.02 0.00 0.00 57.16 55.94 3he3 n GLU 190 Cb 0.19 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.04 3he3 n GLU 190 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3he3 s LEU 191 N -1.84 2.37 0.57 -4.62 1.43 -0.75 -4.81 118.68 111.02 3he3 s LEU 191 Ca 0.37 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.52 3he3 s LEU 191 Cb 0.20 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 3he3 s LEU 191 CO 0.31 0.17 1.26 -0.62 0.23 0.00 0.00 176.35 177.71 3he3 s ASP 192 N -2.13 5.26 0.63 2.29 2.15 -0.71 -0.00 116.67 124.16 3he3 s ASP 192 Ca 0.15 2.53 0.34 0.00 0.43 0.00 0.00 52.55 56.01 3he3 s ASP 192 Cb -0.10 -2.61 1.90 0.00 -0.30 0.00 0.00 42.92 41.81 3he3 s ASP 192 CO 0.07 -1.56 2.15 0.00 -0.17 0.00 0.00 175.17 175.66 3he3 h ALA 193 N 1.18 1.43 0.00 3.66 0.00 -1.16 -2.11 119.26 122.26 3he3 h ALA 193 Ca -0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3he3 h ALA 193 Cb 1.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3he3 h ALA 193 CO 0.56 -0.20 -0.03 0.66 0.00 0.00 0.00 179.25 180.24 3he3 h SER 194 N 0.00 0.00 0.23 0.00 4.64 -1.89 -1.99 113.55 114.54 3he3 h SER 194 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3he3 h SER 194 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3he3 h SER 194 CO -0.00 0.03 -0.11 0.58 -0.87 0.00 0.00 176.83 176.46 3he3 h VAL 195 N 0.00 0.00 0.00 0.95 2.07 -1.75 -3.28 116.25 114.25 3he3 h VAL 195 Ca -0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3he3 h VAL 195 Cb 0.09 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3he3 h VAL 195 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 3he3 n THR 196 N -3.61 0.74 0.50 2.57 -2.24 -1.23 -1.85 114.28 109.16 3he3 n THR 196 Ca -0.04 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 3he3 n THR 196 Cb 0.12 -0.95 0.29 0.00 -2.10 0.00 0.00 70.33 67.70 3he3 n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3he3 n ALA 197 N -1.79 1.64 0.02 6.98 0.00 -0.75 -2.80 120.51 123.81 3he3 n ALA 197 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3he3 n ALA 197 Cb 0.31 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 18.80 3he3 n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3he3 h ARG 198 N 0.00 0.48 -4.07 0.00 3.08 -1.42 -3.34 114.38 109.11 3he3 h ARG 198 Ca 0.00 -0.15 -0.70 0.00 0.07 0.00 0.00 59.98 59.21 3he3 h ARG 198 Cb 0.20 -0.05 -0.35 0.00 0.08 0.00 0.00 29.97 29.85 3he3 h ARG 198 CO 0.00 0.62 -0.46 0.54 -1.07 0.00 0.00 179.97 179.61 3he3 s VAL 199 N -4.69 3.53 0.46 2.04 0.11 -1.12 -5.09 120.40 115.64 3he3 s VAL 199 Ca -0.07 -2.45 -0.21 0.00 -2.93 0.00 0.00 61.98 56.31 3he3 s VAL 199 Cb 0.14 -3.36 -0.08 0.00 -1.53 0.00 0.00 36.38 31.55 3he3 s VAL 199 CO 0.78 -0.78 1.05 -2.16 -3.33 0.00 0.00 175.10 170.66 3he3 s PRO 200 N 0.61 3.89 0.27 1.54 0.04 -1.26 -4.95 135.00 135.14 3he3 s PRO 200 Ca 0.12 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 3he3 s PRO 200 Cb -0.22 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 3he3 s PRO 200 CO -0.04 -0.37 0.66 0.99 0.04 0.00 0.00 177.00 178.29 3he3 s THR 201 N -1.86 4.76 0.19 1.26 2.01 -1.26 -4.59 115.64 116.14 3he3 s THR 201 Ca 0.65 0.82 0.10 0.00 0.31 0.00 0.00 61.69 63.57 3he3 s THR 201 Cb -0.19 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3he3 s THR 201 CO 0.23 -0.07 -0.21 -0.13 -0.69 0.00 0.00 174.62 173.75 3he3 s ARG 202 N -2.73 1.41 0.00 4.92 0.52 0.18 -5.02 118.95 118.23 3he3 s ARG 202 Ca 0.49 -1.49 0.19 0.00 -0.52 0.00 0.00 55.73 54.41 3he3 s ARG 202 Cb -0.12 -1.58 -0.20 0.00 0.52 0.00 0.00 34.95 33.57 3he3 s ARG 202 CO 0.19 0.33 0.81 0.25 0.02 0.00 0.00 175.30 176.90 3he3 n THR 203 N 0.21 0.00 -1.10 0.02 -2.24 -1.26 -4.12 114.28 105.80 3he3 n THR 203 Ca -0.12 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3he3 n THR 203 Cb 0.57 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 3he3 n THR 203 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3he3 n ASN 204 N -1.42 0.00 -0.34 3.42 0.23 -1.26 -4.32 115.26 111.57 3he3 n ASN 204 Ca 0.04 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.17 3he3 n ASN 204 Cb 0.30 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.17 3he3 n ASN 204 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3he3 n ARG 205 N 0.00 1.51 -2.20 -3.83 1.74 -1.26 -0.74 116.66 111.88 3he3 n ARG 205 Ca 0.00 -2.85 -0.42 0.00 -0.77 0.00 0.00 57.85 53.81 3he3 n ARG 205 Cb 0.00 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.84 3he3 n ARG 205 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3he3 s ASP 206 N -2.92 6.84 -0.02 0.55 -1.08 -1.26 -4.92 116.67 113.86 3he3 s ASP 206 Ca 0.35 2.18 0.07 0.00 -0.52 0.00 0.00 52.55 54.63 3he3 s ASP 206 Cb 0.32 -2.57 0.18 0.00 -1.46 0.00 0.00 42.92 39.39 3he3 s ASP 206 CO 0.00 -0.71 1.14 -0.46 0.52 0.00 0.00 175.17 175.66 3he3 n ASN 207 N 5.03 2.52 -4.81 -0.34 6.94 -1.26 -4.87 115.26 118.47 3he3 n ASN 207 Ca 0.13 -2.15 -0.34 0.00 -0.02 0.00 0.00 54.58 52.20 3he3 n ASN 207 Cb 0.43 -0.16 -0.06 0.00 -2.36 0.00 0.00 39.78 37.63 3he3 n ASN 207 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3he3 s ARG 208 N -1.27 4.12 0.29 -3.83 3.00 -1.26 -4.41 118.95 115.60 3he3 s ARG 208 Ca 0.14 1.22 0.12 0.00 0.00 0.00 0.00 55.73 57.21 3he3 s ARG 208 Cb 0.09 -2.21 0.41 0.00 0.00 0.00 0.00 34.95 33.25 3he3 s ARG 208 CO 0.07 -0.13 1.64 -0.92 0.00 0.00 0.00 175.30 175.96 3he3 h TYR 209 N 1.91 0.00 -4.37 -0.53 3.20 -1.50 -3.44 116.97 112.25 3he3 h TYR 209 Ca -0.49 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 60.73 3he3 h TYR 209 Cb 1.19 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 39.19 3he3 h TYR 209 CO 0.60 0.58 -0.87 -0.06 -1.64 0.00 0.00 178.16 176.77 3he3 s PHE 210 N -3.63 2.09 -0.72 -3.82 0.40 -1.26 -4.88 117.98 106.15 3he3 s PHE 210 Ca -0.01 -0.39 0.16 0.00 -0.60 0.00 0.00 56.93 56.09 3he3 s PHE 210 Cb 0.13 -1.29 0.66 0.00 0.51 0.00 0.00 43.02 43.02 3he3 s PHE 210 CO 0.75 0.05 1.57 0.00 0.70 0.00 0.00 175.22 178.29 3he3 n ALA 211 N 2.12 3.13 -1.72 5.36 0.00 -1.26 -4.95 120.51 123.19 3he3 n ALA 211 Ca -0.16 -1.77 -0.38 0.00 0.00 0.00 0.00 53.44 51.13 3he3 n ALA 211 Cb 0.52 -0.90 0.05 0.00 0.00 0.00 0.00 19.45 19.12 3he3 n ALA 211 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3he3 n ASP 212 N 0.61 2.18 -0.12 0.00 10.43 -1.26 -4.93 116.55 123.45 3he3 n ASP 212 Ca 0.24 0.91 -0.09 0.00 2.57 0.00 0.00 54.79 58.42 3he3 n ASP 212 Cb 0.90 -1.54 -0.01 0.00 1.84 0.00 0.00 41.12 42.32 3he3 n ASP 212 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 3he3 h THR 213 N 1.00 1.15 -3.65 -3.53 2.02 -1.88 -3.40 112.91 104.61 3he3 h THR 213 Ca -0.50 -0.38 -0.70 0.00 0.77 0.00 0.00 66.41 65.60 3he3 h THR 213 Cb 1.33 0.70 -0.28 0.00 -1.74 0.00 0.00 68.15 68.16 3he3 h THR 213 CO 0.55 0.15 -0.59 -0.31 0.37 0.00 0.00 175.52 175.69 3he3 s TYR 214 N -5.86 3.26 -0.21 3.16 1.51 -0.24 -5.02 117.35 113.95 3he3 s TYR 214 Ca -0.13 -1.41 -0.01 0.00 -1.01 0.00 0.00 57.07 54.51 3he3 s TYR 214 Cb 0.10 -2.34 0.06 0.00 -0.11 0.00 0.00 41.96 39.67 3he3 s TYR 214 CO 0.73 -0.73 -0.01 -0.65 -1.11 0.00 0.00 175.55 173.78 3he3 s GLN 215 N 1.41 1.18 0.04 -0.62 -0.21 -1.26 -1.09 119.66 119.11 3he3 s GLN 215 Ca -0.01 -0.70 -0.26 0.00 0.02 0.00 0.00 55.36 54.41 3he3 s GLN 215 Cb -0.20 -2.34 0.06 0.00 1.00 0.00 0.00 33.01 31.54 3he3 s GLN 215 CO 0.03 -0.61 0.60 0.00 -2.12 0.00 0.00 175.29 173.19 3he3 s ALA 216 N 1.62 -1.56 0.02 6.09 0.00 -1.18 -2.48 121.76 124.26 3he3 s ALA 216 Ca -0.03 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 3he3 s ALA 216 Cb -0.18 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3he3 s ALA 216 CO -0.07 -0.52 0.15 -1.64 0.00 0.00 0.00 175.76 173.68 3he3 s MET 217 N -2.31 3.28 0.03 0.00 -1.94 -0.15 -4.27 119.30 113.94 3he3 s MET 217 Ca -0.06 -0.44 -0.31 0.00 -1.71 0.00 0.00 55.69 53.17 3he3 s MET 217 Cb -0.01 -2.98 -0.10 0.00 2.01 0.00 0.00 34.83 33.76 3he3 s MET 217 CO -0.00 0.64 1.94 -2.30 -0.01 0.00 0.00 175.02 175.29 3he3 n PRO 218 N 0.75 2.76 -0.26 2.03 -0.02 -1.26 -0.33 135.00 138.66 3he3 n PRO 218 Ca -0.09 1.01 0.03 0.00 -2.02 0.00 0.00 63.50 62.43 3he3 n PRO 218 Cb 0.52 -2.94 0.11 0.00 -0.02 0.00 0.00 33.50 31.17 3he3 n PRO 218 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3he3 h LEU 219 N 10.13 -0.62 -3.12 2.45 5.85 -0.95 -1.16 115.31 127.89 3he3 h LEU 219 Ca -0.49 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3he3 h LEU 219 Cb 1.24 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.71 3he3 h LEU 219 CO 0.94 -0.24 0.00 1.41 -0.34 0.00 0.00 178.44 180.21 3he3 n HIS 220 N -5.46 0.98 0.00 1.25 8.25 -1.26 -4.93 115.22 114.05 3he3 n HIS 220 Ca 0.11 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 3he3 n HIS 220 Cb 0.42 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3he3 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3he3 n GLY 221 N 0.30 2.18 0.09 -1.41 0.00 -0.44 -4.54 105.19 101.37 3he3 n GLY 221 Ca 0.20 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 3he3 n GLY 221 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3he3 h TYR 222 N 0.00 0.18 -1.01 1.61 -1.99 -1.83 -2.95 116.97 110.99 3he3 h TYR 222 Ca 0.00 -0.04 0.18 0.00 2.00 0.00 0.00 58.73 60.87 3he3 h TYR 222 Cb 0.00 -0.05 -0.10 0.00 2.00 0.00 0.00 36.73 38.58 3he3 h TYR 222 CO 0.00 0.46 0.62 1.15 -0.00 0.00 0.00 178.16 180.39 3he3 h THR 223 N -0.15 0.75 -0.57 -2.88 2.02 -1.81 0.37 112.91 110.65 3he3 h THR 223 Ca 0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3he3 h THR 223 Cb 0.39 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3he3 h THR 223 CO 0.01 0.15 0.31 0.03 0.37 0.00 0.00 175.52 176.38 3he3 h ARG 224 N 0.81 0.79 -0.10 6.66 2.47 -1.78 -0.30 114.38 122.94 3he3 h ARG 224 Ca 0.56 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 59.18 3he3 h ARG 224 Cb 0.82 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 3he3 h ARG 224 CO -0.36 0.61 0.02 1.98 0.56 0.00 0.00 179.97 182.79 3he3 h MET 225 N 0.76 0.16 -0.94 0.04 4.05 -0.28 -2.80 114.93 115.92 3he3 h MET 225 Ca 0.20 -0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.64 3he3 h MET 225 Cb 0.05 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.77 3he3 h MET 225 CO -0.03 0.35 0.60 0.74 0.23 0.00 0.00 176.91 178.80 3he3 h PHE 226 N -0.06 1.11 -0.78 1.39 -1.00 -0.41 -0.88 116.94 116.31 3he3 h PHE 226 Ca 0.03 0.03 0.11 0.00 2.81 0.00 0.00 57.97 60.95 3he3 h PHE 226 Cb 0.26 -0.36 -0.05 0.00 3.61 0.00 0.00 35.95 39.40 3he3 h PHE 226 CO 0.01 0.59 0.51 1.96 -1.61 0.00 0.00 178.31 179.77 3he3 h GLN 227 N 1.11 0.62 -0.08 1.51 4.20 -0.86 -0.93 115.11 120.69 3he3 h GLN 227 Ca 0.40 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.90 3he3 h GLN 227 Cb 0.13 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3he3 h GLN 227 CO -0.16 0.41 -0.68 -0.91 -0.67 0.00 0.00 178.83 176.82 3he3 h ASN 228 N 0.64 0.41 0.47 1.46 2.35 -0.93 -2.80 115.58 117.19 3he3 h ASN 228 Ca 0.37 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3he3 h ASN 228 Cb 0.56 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3he3 h ASN 228 CO -0.14 0.97 -0.29 0.24 -1.65 0.00 0.00 177.43 176.56 3he3 h MET 229 N 0.25 0.00 -0.43 0.81 2.86 -0.57 -3.13 114.93 114.71 3he3 h MET 229 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3he3 h MET 229 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3he3 h MET 229 CO 0.11 0.29 0.00 1.28 1.06 0.00 0.00 176.91 179.65 3he3 n LEU 230 N -3.85 3.29 0.18 1.22 4.77 -0.79 -4.27 117.00 117.55 3he3 n LEU 230 Ca -0.02 -1.73 0.04 0.00 -0.03 0.00 0.00 56.01 54.27 3he3 n LEU 230 Cb 0.37 -0.29 0.33 0.00 -2.33 0.00 0.00 43.42 41.51 3he3 n LEU 230 CO 0.36 0.77 0.67 0.77 -1.33 0.00 0.00 177.39 178.62 3he3 h SER 231 N 3.47 0.00 -1.19 -1.43 4.64 -1.44 -3.44 113.55 114.15 3he3 h SER 231 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3he3 h SER 231 Cb 0.86 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.07 3he3 h SER 231 CO 0.00 0.41 -0.56 -0.24 -0.87 0.00 0.00 176.83 175.57 3he3 n SER 232 N -3.72 -1.38 0.02 4.97 2.88 -1.26 -4.84 113.62 110.30 3he3 n SER 232 Ca -0.01 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.71 3he3 n SER 232 Cb 0.49 -0.96 0.42 0.00 -0.75 0.00 0.00 64.21 63.41 3he3 n SER 232 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3he3 n PRO 233 N 1.03 0.04 -0.13 -1.46 -0.02 -1.26 -2.15 135.00 131.04 3he3 n PRO 233 Ca 0.16 0.20 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 3he3 n PRO 233 Cb 0.28 -1.56 0.27 0.00 -0.02 0.00 0.00 33.50 32.47 3he3 n PRO 233 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3he3 n ASN 234 N -1.62 1.77 -4.09 2.55 3.02 -1.26 -4.77 115.26 110.86 3he3 n ASN 234 Ca 0.04 -1.85 -0.33 0.00 -0.03 0.00 0.00 54.58 52.42 3he3 n ASN 234 Cb 0.23 -0.17 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 3he3 n ASN 234 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3he3 s ILE 235 N -1.66 2.31 -0.17 2.41 1.01 -0.92 -0.26 121.20 123.92 3he3 s ILE 235 Ca 0.28 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.26 3he3 s ILE 235 Cb 0.15 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3he3 s ILE 235 CO 0.21 -0.01 0.21 -0.54 0.00 0.00 0.00 174.94 174.82 3he3 s LYS 236 N 1.14 4.13 -0.18 2.79 -0.14 -0.32 -4.87 119.74 122.28 3he3 s LYS 236 Ca -0.08 -0.05 -0.05 0.00 -1.36 0.00 0.00 55.97 54.43 3he3 s LYS 236 Cb -0.20 -3.39 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 3he3 s LYS 236 CO -0.05 0.34 0.01 0.08 -0.76 0.00 0.00 175.35 174.97 3he3 s VAL 237 N 0.21 4.20 -0.16 3.17 1.01 -1.26 -0.52 120.40 127.06 3he3 s VAL 237 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3he3 s VAL 237 Cb -0.12 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.40 3he3 s VAL 237 CO 0.02 0.45 -0.17 -0.32 0.00 0.00 0.00 175.10 175.08 3he3 s MET 238 N 0.64 2.65 0.33 2.72 1.75 0.37 -4.97 119.30 122.78 3he3 s MET 238 Ca 0.00 -0.70 0.09 0.00 -1.25 0.00 0.00 55.69 53.83 3he3 s MET 238 Cb -0.14 -2.33 -0.05 0.00 2.84 0.00 0.00 34.83 35.16 3he3 s MET 238 CO 0.02 -0.20 0.04 -0.51 -0.65 0.00 0.00 175.02 173.72 3he3 s LEU 239 N 1.33 3.09 -1.52 4.11 1.43 -1.26 -1.30 118.68 124.55 3he3 s LEU 239 Ca 0.04 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3he3 s LEU 239 Cb -0.13 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3he3 s LEU 239 CO -0.11 -0.21 0.03 -3.20 0.23 0.00 0.00 176.35 173.09 3he3 n ASN 240 N -0.99 -5.24 -3.77 2.29 5.15 -0.47 -4.91 115.26 107.31 3he3 n ASN 240 Ca -0.04 -0.03 -0.26 0.00 -0.60 0.00 0.00 54.58 53.65 3he3 n ASN 240 Cb 0.61 -4.30 -0.17 0.00 -0.53 0.00 0.00 39.78 35.39 3he3 n ASN 240 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3he3 s THR 241 N -2.91 0.53 0.18 -0.44 2.01 -0.62 -4.91 115.64 109.48 3he3 s THR 241 Ca 0.01 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.43 3he3 s THR 241 Cb -0.01 -0.85 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 3he3 s THR 241 CO 0.02 0.03 1.25 -0.62 -0.69 0.00 0.00 174.62 174.61 3he3 s ASP 242 N 1.88 6.99 0.41 3.53 -1.08 -1.26 -2.96 116.67 124.18 3he3 s ASP 242 Ca 0.02 2.29 0.13 0.00 -0.52 0.00 0.00 52.55 54.47 3he3 s ASP 242 Cb -0.15 -2.60 0.98 0.00 -1.46 0.00 0.00 42.92 39.69 3he3 s ASP 242 CO -0.07 -0.46 1.93 0.10 0.52 0.00 0.00 175.17 177.19 3he3 h TYR 243 N 5.51 0.55 0.00 -5.34 -0.00 -1.94 0.12 116.97 115.86 3he3 h TYR 243 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.30 3he3 h TYR 243 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.77 3he3 h TYR 243 CO 0.63 0.23 0.00 0.00 -0.00 0.00 0.00 178.16 179.02 3he3 h ARG 244 N 0.49 0.00 0.00 0.10 3.08 -2.00 -2.05 114.38 114.00 3he3 h ARG 244 Ca 0.35 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.30 3he3 h ARG 244 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3he3 h ARG 244 CO -0.12 0.00 -0.49 0.93 -1.07 0.00 0.00 179.97 179.22 3he3 h GLU 245 N 0.00 0.00 0.00 0.04 5.08 -1.13 -3.35 114.58 115.22 3he3 h GLU 245 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3he3 h GLU 245 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3he3 h GLU 245 CO 0.00 0.49 0.00 0.44 -1.00 0.00 0.00 179.01 178.94 3he3 n ILE 246 N -3.41 0.00 0.27 3.13 -6.64 -1.01 -4.74 119.36 106.97 3he3 n ILE 246 Ca 0.01 -0.44 0.14 0.00 -1.77 0.00 0.00 62.75 60.68 3he3 n ILE 246 Cb 0.64 1.08 0.79 0.00 -1.44 0.00 0.00 39.64 40.71 3he3 n ILE 246 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3he3 h ALA 247 N 0.00 1.36 0.00 -1.28 0.00 -1.52 -2.27 119.26 115.55 3he3 h ALA 247 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3he3 h ALA 247 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3he3 h ALA 247 CO 0.00 0.10 -0.63 -0.44 0.00 0.00 0.00 179.25 178.28 3he3 h ASP 248 N 0.00 0.00 0.00 0.00 3.32 -1.85 -3.37 116.42 114.52 3he3 h ASP 248 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3he3 h ASP 248 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3he3 h ASP 248 CO 0.01 0.63 -0.06 2.22 -1.72 0.00 0.00 179.24 180.32 3he3 n PHE 249 N -3.29 0.00 -4.11 4.55 -1.74 -1.08 -4.98 117.46 106.81 3he3 n PHE 249 Ca 0.01 -0.40 -0.34 0.00 -0.56 0.00 0.00 57.45 56.16 3he3 n PHE 249 Cb 0.78 -0.06 -0.14 0.00 1.52 0.00 0.00 39.48 41.58 3he3 n PHE 249 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3he3 s ILE 250 N -0.97 3.27 -0.18 1.97 -1.09 -0.87 -5.09 121.20 118.23 3he3 s ILE 250 Ca 0.06 -0.54 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 3he3 s ILE 250 Cb 0.05 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 3he3 s ILE 250 CO 0.01 0.45 1.32 -2.84 -1.23 0.00 0.00 174.94 172.65 3he3 s PRO 251 N 1.19 4.16 0.02 2.79 0.02 -1.26 -4.87 135.00 137.06 3he3 s PRO 251 Ca 0.02 1.66 -0.03 0.00 0.02 0.00 0.00 61.00 62.67 3he3 s PRO 251 Cb -0.14 -3.81 -0.01 0.00 0.02 0.00 0.00 34.50 30.55 3he3 s PRO 251 CO -0.02 -0.80 0.04 -0.59 -0.33 0.00 0.00 177.00 175.30 3he3 s PHE 252 N 3.75 0.22 -0.13 6.54 -0.12 -1.26 -0.61 117.98 126.38 3he3 s PHE 252 Ca 0.57 -0.49 -0.17 0.00 -0.05 0.00 0.00 56.93 56.80 3he3 s PHE 252 Cb -0.22 -0.17 -0.25 0.00 -0.63 0.00 0.00 43.02 41.75 3he3 s PHE 252 CO 0.18 -0.28 0.47 1.96 -0.05 0.00 0.00 175.22 177.50 3he3 h GLN 253 N 4.14 0.18 -4.04 1.99 1.08 -1.29 -3.48 115.11 113.69 3he3 h GLN 253 Ca -0.32 -0.31 -0.24 0.00 -1.45 0.00 0.00 58.65 56.33 3he3 h GLN 253 Cb 1.19 0.12 -0.25 0.00 -0.05 0.00 0.00 27.48 28.49 3he3 h GLN 253 CO 0.46 1.15 -0.72 -1.58 -0.95 0.00 0.00 178.83 177.19 3he3 s HIS 254 N -2.45 0.26 -0.11 2.96 2.46 -0.75 -4.93 115.29 112.74 3he3 s HIS 254 Ca -0.22 -0.25 0.01 0.00 0.47 0.00 0.00 55.06 55.07 3he3 s HIS 254 Cb 0.05 -0.17 -0.02 0.00 -0.13 0.00 0.00 32.58 32.30 3he3 s HIS 254 CO 0.73 -0.07 -0.13 1.41 -2.47 0.00 0.00 174.74 174.21 3he3 s MET 255 N -0.69 3.18 -0.33 2.88 1.75 -0.33 -1.40 119.30 124.36 3he3 s MET 255 Ca -0.06 -0.68 -0.07 0.00 -1.25 0.00 0.00 55.69 53.63 3he3 s MET 255 Cb -0.05 -2.58 0.03 0.00 2.84 0.00 0.00 34.83 35.06 3he3 s MET 255 CO -0.00 0.32 0.11 0.42 -0.65 0.00 0.00 175.02 175.22 3he3 s ILE 256 N 0.06 3.98 -0.19 10.11 1.01 -0.65 -0.35 121.20 135.17 3he3 s ILE 256 Ca -0.05 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 3he3 s ILE 256 Cb -0.14 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3he3 s ILE 256 CO 0.04 -0.09 0.05 -0.47 0.00 0.00 0.00 174.94 174.48 3he3 s TYR 257 N 1.46 3.19 -0.10 3.97 5.04 -0.14 0.04 117.35 130.81 3he3 s TYR 257 Ca 0.01 -0.07 0.14 0.00 -2.44 0.00 0.00 57.07 54.71 3he3 s TYR 257 Cb -0.19 -2.10 0.22 0.00 0.35 0.00 0.00 41.96 40.24 3he3 s TYR 257 CO 0.03 0.02 1.11 0.25 -1.34 0.00 0.00 175.55 175.62 3he3 n THR 258 N 3.84 1.45 -2.11 4.34 -2.24 -0.56 -2.72 114.28 116.27 3he3 n THR 258 Ca -0.16 -1.73 -0.06 0.00 -2.27 0.00 0.00 64.05 59.82 3he3 n THR 258 Cb 0.52 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3he3 n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3he3 n GLY 259 N -1.09 0.35 3.77 3.38 0.00 -1.26 -4.22 105.19 106.12 3he3 n GLY 259 Ca 0.12 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3he3 n GLY 259 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3he3 s PRO 260 N -3.18 4.10 0.15 1.61 0.02 -1.26 -1.66 135.00 134.78 3he3 s PRO 260 Ca 0.17 2.43 -0.08 0.00 0.02 0.00 0.00 61.00 63.54 3he3 s PRO 260 Cb -0.01 -2.94 -0.03 0.00 0.02 0.00 0.00 34.50 31.55 3he3 s PRO 260 CO 0.11 -0.48 1.40 0.28 -0.33 0.00 0.00 177.00 177.98 3he3 h VAL 261 N 2.86 1.31 -0.37 3.83 2.07 -1.77 -3.14 116.25 121.04 3he3 h VAL 261 Ca -0.50 -1.92 -0.10 0.00 0.82 0.00 0.00 66.70 65.00 3he3 h VAL 261 Cb 1.24 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 3he3 h VAL 261 CO 0.64 0.60 -0.18 -2.24 0.02 0.00 0.00 177.57 176.41 3he3 h ASP 262 N 0.48 0.69 -0.24 0.57 2.03 -1.92 -2.75 116.42 115.28 3he3 h ASP 262 Ca -0.02 -0.23 -0.09 0.00 -0.73 0.00 0.00 57.03 55.97 3he3 h ASP 262 Cb 1.26 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.55 3he3 h ASP 262 CO 0.13 0.88 -0.14 0.00 -1.03 0.00 0.00 179.24 179.08 3he3 h ALA 263 N 1.18 1.07 -0.32 4.15 0.00 -1.95 0.20 119.26 123.59 3he3 h ALA 263 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3he3 h ALA 263 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3he3 h ALA 263 CO 0.05 0.57 0.17 0.35 0.00 0.00 0.00 179.25 180.39 3he3 h PHE 264 N 0.60 0.43 -0.61 0.00 3.57 -1.44 -1.77 116.94 117.72 3he3 h PHE 264 Ca 0.10 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 3he3 h PHE 264 Cb 0.58 -0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.08 3he3 h PHE 264 CO 0.03 0.31 0.19 1.19 -2.23 0.00 0.00 178.31 177.79 3he3 n PHE 265 N -4.45 2.01 -2.70 0.41 3.01 -1.07 -4.94 117.46 109.73 3he3 n PHE 265 Ca 0.02 -1.23 -0.19 0.00 1.01 0.00 0.00 57.45 57.06 3he3 n PHE 265 Cb 0.10 -0.60 0.02 0.00 -0.01 0.00 0.00 39.48 38.98 3he3 n PHE 265 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3he3 n ASP 266 N -0.40 -5.44 -4.00 4.37 8.00 -0.67 -2.63 116.55 115.78 3he3 n ASP 266 Ca 0.37 -0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 3he3 n ASP 266 Cb 1.26 -4.36 0.01 0.00 -0.02 0.00 0.00 41.12 38.01 3he3 n ASP 266 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3he3 n PHE 267 N -4.23 -2.14 0.21 1.24 3.72 0.69 -4.87 117.46 112.08 3he3 n PHE 267 Ca -0.14 0.88 0.07 0.00 -0.05 0.00 0.00 57.45 58.20 3he3 n PHE 267 Cb 0.63 -3.70 0.43 0.00 -0.94 0.00 0.00 39.48 35.90 3he3 n PHE 267 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3he3 n TYR 269 N -3.61 0.68 0.00 0.00 4.01 -1.26 -5.07 117.16 111.91 3he3 n TYR 269 Ca -0.01 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 3he3 n TYR 269 Cb 0.43 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 3he3 n TYR 269 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3he3 n GLY 270 N 1.20 2.09 3.70 2.72 0.00 -0.90 -4.99 105.19 109.01 3he3 n GLY 270 Ca 0.19 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3he3 n GLY 270 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3he3 s LYS 271 N -2.57 4.23 -0.08 1.61 2.47 -1.26 -4.81 119.74 119.33 3he3 s LYS 271 Ca 0.00 2.25 -0.30 0.00 -1.56 0.00 0.00 55.97 56.37 3he3 s LYS 271 Cb 0.00 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.95 3he3 s LYS 271 CO 0.00 -0.62 1.17 -0.51 0.16 0.00 0.00 175.35 175.55 3he3 s LEU 272 N 1.86 4.25 0.12 5.43 1.43 -1.26 -4.99 118.68 125.53 3he3 s LEU 272 Ca 0.70 1.74 -0.31 0.00 -1.03 0.00 0.00 54.13 55.23 3he3 s LEU 272 Cb -0.40 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.17 3he3 s LEU 272 CO 0.31 -0.59 1.70 -2.84 0.23 0.00 0.00 176.35 175.16 3he3 s PRO 273 N 2.38 4.17 -0.06 1.29 0.02 -1.26 -4.99 135.00 136.55 3he3 s PRO 273 Ca 0.54 2.46 0.04 0.00 0.02 0.00 0.00 61.00 64.06 3he3 s PRO 273 Cb -0.23 -3.46 0.00 0.00 0.02 0.00 0.00 34.50 30.84 3he3 s PRO 273 CO 0.20 -0.75 -0.17 0.71 -0.33 0.00 0.00 177.00 176.66 3he3 s TYR 274 N 2.24 1.78 0.31 6.54 1.51 -1.26 -3.72 117.35 124.75 3he3 s TYR 274 Ca 0.76 -0.59 -0.26 0.00 -1.01 0.00 0.00 57.07 55.96 3he3 s TYR 274 Cb -0.44 -1.22 -0.10 0.00 -0.11 0.00 0.00 41.96 40.09 3he3 s TYR 274 CO 0.33 -0.24 0.93 0.50 -1.11 0.00 0.00 175.55 175.96 3he3 s ARG 275 N 0.27 4.58 0.51 -0.62 6.06 0.75 -4.84 118.95 125.66 3he3 s ARG 275 Ca -0.09 1.30 0.00 0.00 -2.50 0.00 0.00 55.73 54.44 3he3 s ARG 275 Cb -0.14 -2.84 0.00 0.00 0.06 0.00 0.00 34.95 32.04 3he3 s ARG 275 CO 0.04 0.31 0.02 0.45 -2.50 0.00 0.00 175.30 173.61 3he3 n SER 276 N 0.64 3.37 -3.84 -2.12 2.88 -0.44 -1.32 113.62 112.79 3he3 n SER 276 Ca 0.01 -3.21 -0.11 0.00 -1.33 0.00 0.00 58.87 54.23 3he3 n SER 276 Cb 0.50 0.33 -0.09 0.00 -0.75 0.00 0.00 64.21 64.20 3he3 n SER 276 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3he3 s LEU 277 N 0.00 1.34 -0.05 2.46 1.43 -1.26 -1.49 118.68 121.11 3he3 s LEU 277 Ca 0.02 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 3he3 s LEU 277 Cb -0.00 0.92 -0.01 0.00 0.03 0.00 0.00 46.19 47.12 3he3 s LEU 277 CO 0.01 -0.48 -0.25 -0.70 0.23 0.00 0.00 176.35 175.16 3he3 s GLU 278 N -1.97 2.48 -0.20 1.70 2.12 0.30 -4.85 118.70 118.29 3he3 s GLU 278 Ca -0.10 -0.91 -0.02 0.00 0.36 0.00 0.00 54.97 54.31 3he3 s GLU 278 Cb -0.04 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3he3 s GLU 278 CO -0.01 0.42 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.96 3he3 s PHE 279 N -0.25 2.87 -0.37 5.30 0.40 -1.26 -0.09 117.98 124.59 3he3 s PHE 279 Ca -0.01 -1.19 -0.11 0.00 -0.60 0.00 0.00 56.93 55.02 3he3 s PHE 279 Cb -0.13 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.41 3he3 s PHE 279 CO 0.03 -0.62 0.21 1.03 0.70 0.00 0.00 175.22 176.56 3he3 s ARG 280 N 1.32 2.87 0.08 0.44 0.52 -0.46 -4.96 118.95 118.76 3he3 s ARG 280 Ca 0.04 -1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 54.05 3he3 s ARG 280 Cb -0.14 -3.74 -0.06 0.00 0.52 0.00 0.00 34.95 31.53 3he3 s ARG 280 CO -0.06 -0.68 0.49 -1.01 0.02 0.00 0.00 175.30 174.05 3he3 s HIS 281 N 1.57 3.68 0.02 -0.53 3.76 -1.26 -0.90 115.29 121.62 3he3 s HIS 281 Ca 0.02 1.04 -0.00 0.00 -0.15 0.00 0.00 55.06 55.97 3he3 s HIS 281 Cb -0.19 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.15 3he3 s HIS 281 CO 0.07 0.54 -0.02 -1.21 -0.85 0.00 0.00 174.74 173.26 3he3 s GLU 282 N -1.55 0.32 -0.02 1.40 2.02 -0.16 -5.00 118.70 115.72 3he3 s GLU 282 Ca 0.31 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.78 3he3 s GLU 282 Cb -0.16 0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.16 3he3 s GLU 282 CO 0.17 -0.05 -0.24 0.99 0.02 0.00 0.00 175.26 176.15 3he3 s THR 283 N -1.46 2.25 0.02 3.63 2.01 -1.26 -0.79 115.64 120.03 3he3 s THR 283 Ca -0.16 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 60.85 3he3 s THR 283 Cb -0.10 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 3he3 s THR 283 CO -0.01 0.57 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.30 3he3 s HIS 284 N -0.65 1.67 0.00 4.92 3.76 0.10 -4.98 115.29 120.10 3he3 s HIS 284 Ca 0.10 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.63 3he3 s HIS 284 Cb -0.10 -1.02 -0.17 0.00 1.11 0.00 0.00 32.58 32.40 3he3 s HIS 284 CO -0.00 0.05 2.75 -0.25 -0.85 0.00 0.00 174.74 176.43 3he3 n ASP 285 N 2.10 4.31 -3.68 1.40 8.00 -1.26 -2.14 116.55 125.28 3he3 n ASP 285 Ca -0.17 -2.27 -0.16 0.00 0.71 0.00 0.00 54.79 52.91 3he3 n ASP 285 Cb 0.54 -1.11 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 3he3 n ASP 285 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3he3 s THR 286 N 1.14 0.00 -0.13 -3.53 -1.32 -1.26 -4.96 115.64 105.58 3he3 s THR 286 Ca 0.43 -1.92 0.20 0.00 -1.21 0.00 0.00 61.69 59.19 3he3 s THR 286 Cb 0.20 -2.50 -0.19 0.00 -1.51 0.00 0.00 72.50 68.50 3he3 s THR 286 CO 0.00 0.00 0.66 -0.62 -2.21 0.00 0.00 174.62 172.45 3he3 n GLU 287 N -0.48 0.64 -3.68 7.08 1.02 -1.26 -2.40 120.64 121.57 3he3 n GLU 287 Ca 0.04 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3he3 n GLU 287 Cb 0.64 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 3he3 n GLU 287 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3he3 s GLN 288 N -3.22 0.49 -0.07 3.49 0.74 -1.26 -4.76 119.66 115.08 3he3 s GLN 288 Ca -0.05 0.92 0.07 0.00 0.05 0.00 0.00 55.36 56.35 3he3 s GLN 288 Cb 0.11 0.03 -0.10 0.00 1.10 0.00 0.00 33.01 34.15 3he3 s GLN 288 CO 0.84 -0.15 0.04 -0.11 -0.55 0.00 0.00 175.29 175.36 3he3 n LEU 289 N 4.25 0.00 -4.37 3.68 7.94 -1.26 -5.03 117.00 122.21 3he3 n LEU 289 Ca -0.22 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.42 3he3 n LEU 289 Cb 0.56 0.18 -0.12 0.00 0.53 0.00 0.00 43.42 44.57 3he3 n LEU 289 CO 0.05 0.18 -0.53 -0.76 -1.11 0.00 0.00 177.39 175.22 3he3 s LEU 290 N -4.49 2.38 0.29 -1.96 1.43 -1.26 -5.04 118.68 110.03 3he3 s LEU 290 Ca -0.04 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3he3 s LEU 290 Cb 0.03 -1.05 0.43 0.00 0.03 0.00 0.00 46.19 45.62 3he3 s LEU 290 CO 0.33 0.09 1.67 -0.65 0.23 0.00 0.00 176.35 178.02 3he3 h PRO 291 N 3.57 0.10 0.00 1.29 0.11 -1.96 -3.47 132.00 131.64 3he3 h PRO 291 Ca -0.47 -0.06 -0.48 0.00 0.11 0.00 0.00 66.00 65.11 3he3 h PRO 291 Cb 1.19 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 3he3 h PRO 291 CO 0.44 0.60 -0.43 0.25 -0.21 0.00 0.00 178.00 178.65 3he3 n THR 292 N -3.93 0.00 -0.23 -1.15 -2.24 -1.26 -5.05 114.28 100.42 3he3 n THR 292 Ca -0.02 -2.22 -0.01 0.00 -2.27 0.00 0.00 64.05 59.53 3he3 n THR 292 Cb 0.54 0.94 0.10 0.00 -2.10 0.00 0.00 70.33 69.81 3he3 n THR 292 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3he3 h GLY 293 N 1.67 0.99 -5.14 3.38 0.00 -1.85 -3.42 103.07 98.70 3he3 h GLY 293 Ca -0.26 -0.26 -0.22 0.00 0.00 0.00 0.00 47.33 46.59 3he3 h GLY 293 CO 0.40 0.16 -0.72 -1.59 0.00 0.00 0.00 176.54 174.79 3he3 s THR 294 N -6.09 0.19 -0.11 4.70 2.01 -1.25 -0.98 115.64 114.11 3he3 s THR 294 Ca -0.13 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.28 3he3 s THR 294 Cb 0.16 -0.26 0.02 0.00 0.01 0.00 0.00 72.50 72.42 3he3 s THR 294 CO 0.76 -0.27 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.58 3he3 s VAL 295 N -0.89 1.45 0.02 3.82 1.01 -0.45 -2.12 120.40 123.23 3he3 s VAL 295 Ca -0.08 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 3he3 s VAL 295 Cb -0.06 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 3he3 s VAL 295 CO -0.00 0.43 0.40 0.20 0.00 0.00 0.00 175.10 176.12 3he3 s ASN 296 N 1.02 6.75 -0.76 3.32 -0.87 0.11 -1.83 114.94 122.68 3he3 s ASN 296 Ca -0.06 0.91 0.03 0.00 -1.57 0.00 0.00 52.86 52.17 3he3 s ASN 296 Cb -0.15 -2.23 0.18 0.00 -0.02 0.00 0.00 41.25 39.04 3he3 s ASN 296 CO -0.02 0.29 0.58 -0.31 -2.57 0.00 0.00 177.10 175.07 3he3 s TYR 297 N -1.16 3.68 0.43 2.20 2.02 0.39 -0.98 117.35 123.94 3he3 s TYR 297 Ca 0.26 -3.26 0.10 0.00 -0.37 0.00 0.00 57.07 53.79 3he3 s TYR 297 Cb -0.16 -2.86 0.95 0.00 -0.40 0.00 0.00 41.96 39.49 3he3 s TYR 297 CO 0.14 -0.60 2.06 -1.35 -1.57 0.00 0.00 175.55 174.23 3he3 h PRO 298 N 5.56 0.44 0.00 -1.71 0.11 -1.82 -3.32 132.00 131.26 3he3 h PRO 298 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3he3 h PRO 298 Cb 0.77 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3he3 h PRO 298 CO 0.76 0.29 0.00 0.09 -0.21 0.00 0.00 178.00 178.93 3he3 n ASN 299 N -4.48 1.00 -4.06 -2.05 3.02 -1.26 -2.19 115.26 105.24 3he3 n ASN 299 Ca 0.04 -1.36 -0.11 0.00 -0.03 0.00 0.00 54.58 53.12 3he3 n ASN 299 Cb 0.13 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.19 3he3 n ASN 299 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3he3 s ASP 300 N -0.36 0.67 0.24 6.41 -0.00 -1.25 -5.12 116.67 117.25 3he3 s ASP 300 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 52.55 51.88 3he3 s ASP 300 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 42.92 43.01 3he3 s ASP 300 CO 0.00 -0.33 0.00 -1.22 -0.00 0.00 0.00 175.17 173.62 3he3 n TYR 301 N 1.09 -1.75 0.08 4.23 4.01 -1.26 -4.70 117.16 118.86 3he3 n TYR 301 Ca -0.20 0.93 -0.16 0.00 -0.16 0.00 0.00 57.90 58.30 3he3 n TYR 301 Cb 0.57 -1.59 -0.14 0.00 -0.31 0.00 0.00 39.34 37.86 3he3 n TYR 301 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3he3 h ALA 302 N -0.64 0.20 -2.38 -0.72 0.00 -1.97 -3.46 119.26 110.29 3he3 h ALA 302 Ca -0.05 -1.01 -0.49 0.00 0.00 0.00 0.00 54.91 53.37 3he3 h ALA 302 Cb 0.63 0.15 0.05 0.00 0.00 0.00 0.00 17.79 18.62 3he3 h ALA 302 CO 0.02 1.07 0.39 1.52 0.00 0.00 0.00 179.25 182.25 3he3 s TYR 303 N -2.64 2.92 -0.04 0.00 -0.85 -1.26 -4.67 117.35 110.82 3he3 s TYR 303 Ca -0.06 1.54 0.13 0.00 -0.52 0.00 0.00 57.07 58.15 3he3 s TYR 303 Cb 0.07 -3.08 -0.19 0.00 0.38 0.00 0.00 41.96 39.15 3he3 s TYR 303 CO 0.87 -1.11 0.87 1.79 -1.52 0.00 0.00 175.55 176.44 3he3 h THR 304 N 0.91 0.94 -2.28 -3.49 1.35 -1.53 -3.44 112.91 105.37 3he3 h THR 304 Ca -0.48 -2.66 0.17 0.00 -0.55 0.00 0.00 66.41 62.88 3he3 h THR 304 Cb 1.23 2.42 -0.10 0.00 -1.73 0.00 0.00 68.15 69.96 3he3 h THR 304 CO 0.58 0.54 0.50 0.00 -0.25 0.00 0.00 175.52 176.88 3he3 s ARG 305 N -2.71 1.06 0.06 4.72 1.70 -1.26 -0.46 118.95 122.06 3he3 s ARG 305 Ca -0.03 -0.54 0.06 0.00 -0.47 0.00 0.00 55.73 54.75 3he3 s ARG 305 Cb 0.08 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 3he3 s ARG 305 CO 0.82 -0.48 -0.17 0.08 -1.08 0.00 0.00 175.30 174.47 3he3 s VAL 306 N -3.20 1.34 0.02 4.99 1.01 -0.76 -2.49 120.40 121.31 3he3 s VAL 306 Ca 0.10 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.89 3he3 s VAL 306 Cb -0.01 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3he3 s VAL 306 CO -0.01 -0.01 -0.06 -0.44 0.00 0.00 0.00 175.10 174.58 3he3 s SER 307 N -1.42 0.69 -0.27 3.32 0.01 -0.96 -1.34 113.70 113.74 3he3 s SER 307 Ca 0.03 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 3he3 s SER 307 Cb -0.09 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.15 3he3 s SER 307 CO 0.02 -0.06 -0.02 -0.70 0.41 0.00 0.00 173.24 172.90 3he3 s GLU 308 N -0.76 2.85 0.43 12.44 2.12 -0.15 -1.67 118.70 133.96 3he3 s GLU 308 Ca -0.03 -0.98 0.16 0.00 0.36 0.00 0.00 54.97 54.47 3he3 s GLU 308 Cb -0.05 -3.11 0.95 0.00 0.26 0.00 0.00 34.13 32.17 3he3 s GLU 308 CO 0.00 -0.44 1.93 0.74 -0.54 0.00 0.00 175.26 176.95 3he3 h PHE 309 N 8.07 0.00 -0.61 5.30 -1.00 -1.81 -2.67 116.94 124.22 3he3 h PHE 309 Ca -0.31 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.51 3he3 h PHE 309 Cb 1.11 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.63 3he3 h PHE 309 CO 0.59 0.25 0.41 0.87 -1.61 0.00 0.00 178.31 178.82 3he3 h LYS 310 N 0.00 0.66 -0.70 1.51 1.57 -1.86 0.34 116.57 118.09 3he3 h LYS 310 Ca -0.00 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3he3 h LYS 310 Cb 0.47 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3he3 h LYS 310 CO 0.03 0.44 0.46 0.45 -0.57 0.00 0.00 179.45 180.26 3he3 h HIS 311 N 0.68 0.79 0.14 -1.35 3.86 -1.83 0.37 115.15 117.80 3he3 h HIS 311 Ca 0.25 0.02 -0.33 0.00 -1.16 0.00 0.00 60.37 59.15 3he3 h HIS 311 Cb 0.15 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3he3 h HIS 311 CO -0.00 0.45 -1.74 0.82 0.86 0.00 0.00 177.93 178.32 3he3 h ILE 312 N 0.80 0.84 0.01 2.45 2.04 -1.18 -3.37 117.51 119.10 3he3 h ILE 312 Ca 0.29 -2.40 -0.26 0.00 1.00 0.00 0.00 64.86 63.49 3he3 h ILE 312 Cb 0.12 2.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 3he3 h ILE 312 CO -0.08 0.81 -1.38 0.71 0.00 0.00 0.00 178.15 178.21 3he3 h THR 313 N -0.07 1.26 -0.07 -0.27 1.35 -1.02 -3.46 112.91 110.63 3he3 h THR 313 Ca -0.37 -3.03 -0.03 0.00 -0.55 0.00 0.00 66.41 62.43 3he3 h THR 313 Cb 1.95 2.64 -0.01 0.00 -1.73 0.00 0.00 68.15 71.00 3he3 h THR 313 CO 0.09 0.74 -0.03 0.61 -0.25 0.00 0.00 175.52 176.69 3he3 n GLY 314 N 1.48 0.51 3.77 5.82 0.00 0.13 -5.01 105.19 111.88 3he3 n GLY 314 Ca -0.09 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 3he3 n GLY 314 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3he3 s GLN 315 N -1.47 3.87 -0.09 1.61 0.74 -1.24 -5.02 119.66 118.07 3he3 s GLN 315 Ca 0.00 2.08 -0.11 0.00 0.05 0.00 0.00 55.36 57.39 3he3 s GLN 315 Cb 0.00 -2.66 -0.05 0.00 1.10 0.00 0.00 33.01 31.40 3he3 s GLN 315 CO 0.00 -0.55 0.25 0.50 -0.55 0.00 0.00 175.29 174.94 3he3 s ARG 316 N -2.36 3.74 -0.17 1.67 3.52 -1.26 -4.87 118.95 119.21 3he3 s ARG 316 Ca 0.59 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.97 3he3 s ARG 316 Cb -0.36 -3.24 0.14 0.00 -1.56 0.00 0.00 34.95 29.93 3he3 s ARG 316 CO 0.46 0.66 1.07 -1.58 -0.81 0.00 0.00 175.30 175.11 3he3 s HIS 317 N -0.81 -0.28 -0.73 5.12 2.46 -1.26 -5.03 115.29 114.76 3he3 s HIS 317 Ca 0.18 0.42 0.25 0.00 0.47 0.00 0.00 55.06 56.39 3he3 s HIS 317 Cb -0.14 0.47 0.62 0.00 -0.13 0.00 0.00 32.58 33.41 3he3 s HIS 317 CO 0.07 -0.29 1.57 -2.39 -2.47 0.00 0.00 174.74 171.23 3he3 n HIS 318 N 0.50 0.64 -4.62 3.88 1.44 -1.26 -4.82 115.22 110.98 3he3 n HIS 318 Ca -0.07 0.19 -0.31 0.00 -2.01 0.00 0.00 57.72 55.51 3he3 n HIS 318 Cb 0.59 -0.74 -0.07 0.00 0.12 0.00 0.00 29.99 29.88 3he3 n HIS 318 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 3he3 s GLN 319 N -3.12 2.18 -0.05 -1.40 -0.21 -1.24 -3.98 119.66 111.83 3he3 s GLN 319 Ca 0.09 -2.31 -0.05 0.00 0.02 0.00 0.00 55.36 53.12 3he3 s GLN 319 Cb 0.14 -1.62 0.01 0.00 1.00 0.00 0.00 33.01 32.54 3he3 s GLN 319 CO 0.65 -0.35 0.13 -0.08 -2.12 0.00 0.00 175.29 173.53 3he3 s THR 320 N -2.84 -0.00 -0.05 -0.19 -1.32 -0.91 -4.77 115.64 105.56 3he3 s THR 320 Ca 0.13 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.66 3he3 s THR 320 Cb 0.02 -0.20 -0.02 0.00 -1.51 0.00 0.00 72.50 70.79 3he3 s THR 320 CO 0.07 0.00 -0.16 -0.44 -2.21 0.00 0.00 174.62 171.88 3he3 s SER 321 N 0.09 3.84 0.18 8.08 0.01 -1.26 -0.72 113.70 123.92 3he3 s SER 321 Ca -0.00 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.03 3he3 s SER 321 Cb -0.01 -0.85 -0.05 0.00 0.21 0.00 0.00 66.02 65.33 3he3 s SER 321 CO 0.00 0.32 -0.04 0.68 0.41 0.00 0.00 173.24 174.61 3he3 s VAL 322 N -0.59 1.00 -0.04 3.43 -7.23 0.03 -2.60 120.40 114.41 3he3 s VAL 322 Ca 0.08 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 3he3 s VAL 322 Cb -0.11 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.76 3he3 s VAL 322 CO 0.01 -0.53 -0.05 0.54 -0.31 0.00 0.00 175.10 174.76 3he3 s VAL 323 N -3.44 0.54 -0.15 1.32 0.11 -0.67 -0.99 120.40 117.12 3he3 s VAL 323 Ca 0.22 -0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3he3 s VAL 323 Cb 0.05 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 3he3 s VAL 323 CO 0.04 0.21 0.19 -0.31 -3.33 0.00 0.00 175.10 171.90 3he3 s TYR 324 N 0.66 3.50 -0.21 1.54 2.02 -0.08 -2.27 117.35 122.51 3he3 s TYR 324 Ca -0.09 0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 57.02 3he3 s TYR 324 Cb -0.12 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 3he3 s TYR 324 CO 0.00 0.43 0.09 -1.21 -1.57 0.00 0.00 175.55 173.30 3he3 s GLU 325 N -0.12 3.92 -0.21 -0.62 2.02 -1.04 -1.35 118.70 121.30 3he3 s GLU 325 Ca 0.13 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 3he3 s GLU 325 Cb -0.12 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.79 3he3 s GLU 325 CO 0.02 0.11 -0.12 0.71 0.02 0.00 0.00 175.26 176.00 3he3 s TYR 326 N 0.85 2.92 0.45 1.61 1.51 0.88 -1.38 117.35 124.19 3he3 s TYR 326 Ca 0.05 -1.42 -0.25 0.00 -1.01 0.00 0.00 57.07 54.44 3he3 s TYR 326 Cb -0.13 -2.01 -0.08 0.00 -0.11 0.00 0.00 41.96 39.63 3he3 s TYR 326 CO 0.03 -0.71 1.34 -2.14 -1.11 0.00 0.00 175.55 172.96 3he3 s PRO 327 N 1.35 3.69 0.02 -1.71 0.02 -1.26 0.11 135.00 137.23 3he3 s PRO 327 Ca 0.04 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.29 3he3 s PRO 327 Cb -0.14 -2.59 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 3he3 s PRO 327 CO -0.08 -0.74 -0.05 1.03 -0.33 0.00 0.00 177.00 176.83 3he3 s ARG 328 N -2.48 0.39 0.03 5.54 1.81 -0.56 -4.79 118.95 118.89 3he3 s ARG 328 Ca 0.62 -0.51 -0.15 0.00 -1.72 0.00 0.00 55.73 53.96 3he3 s ARG 328 Cb -0.40 -0.18 -0.36 0.00 -0.45 0.00 0.00 34.95 33.57 3he3 s ARG 328 CO 0.50 0.03 0.99 0.00 -0.68 0.00 0.00 175.30 176.14 3he3 h ALA 329 N 5.05 -0.15 -2.89 2.13 0.00 -1.92 -1.16 119.26 120.32 3he3 h ALA 329 Ca -0.32 -0.87 -0.60 0.00 0.00 0.00 0.00 54.91 53.12 3he3 h ALA 329 Cb 1.20 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 3he3 h ALA 329 CO 0.44 0.71 -0.54 -1.21 0.00 0.00 0.00 179.25 178.65 3he3 s GLU 330 N -2.60 3.13 0.00 0.00 8.01 -1.26 -4.60 118.70 121.38 3he3 s GLU 330 Ca -0.09 -0.65 0.00 0.00 0.01 0.00 0.00 54.97 54.24 3he3 s GLU 330 Cb 0.04 -2.83 0.00 0.00 -4.31 0.00 0.00 34.13 27.03 3he3 s GLU 330 CO 0.94 0.55 0.00 0.41 0.01 0.00 0.00 175.26 177.18 3he3 n GLY 331 N 0.06 0.88 3.70 -1.39 0.00 -1.26 -4.74 105.19 102.44 3he3 n GLY 331 Ca -0.07 -2.10 -0.44 0.00 0.00 0.00 0.00 46.02 43.41 3he3 n GLY 331 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3he3 n ASP 332 N 1.72 3.20 -4.67 1.61 8.00 -1.26 -4.84 116.55 120.31 3he3 n ASP 332 Ca 0.00 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.22 3he3 n ASP 332 Cb 0.00 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 39.58 3he3 n ASP 332 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3he3 s PRO 333 N -0.43 4.16 -0.08 -0.24 0.02 -1.26 -4.46 135.00 132.71 3he3 s PRO 333 Ca 0.67 2.45 -0.02 0.00 0.02 0.00 0.00 61.00 64.11 3he3 s PRO 333 Cb -0.59 -4.01 -0.04 0.00 0.02 0.00 0.00 34.50 29.89 3he3 s PRO 333 CO 0.49 -0.89 -0.09 0.66 -0.33 0.00 0.00 177.00 176.84 3he3 n TYR 334 N 7.07 0.00 -4.79 6.54 0.53 -0.43 -5.03 117.16 121.05 3he3 n TYR 334 Ca 0.18 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.74 3he3 n TYR 334 Cb 0.41 -0.28 -0.15 0.00 -1.03 0.00 0.00 39.34 38.29 3he3 n TYR 334 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 3he3 s TYR 335 N -2.14 2.73 0.61 -0.72 1.51 -0.74 -4.96 117.35 113.64 3he3 s TYR 335 Ca -0.10 -0.93 -0.18 0.00 -1.01 0.00 0.00 57.07 54.85 3he3 s TYR 335 Cb 0.04 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3he3 s TYR 335 CO 0.14 -0.38 1.20 -2.14 -1.11 0.00 0.00 175.55 173.27 3he3 s PRO 336 N 0.54 2.86 -0.69 -1.71 0.02 -1.26 -0.18 135.00 134.58 3he3 s PRO 336 Ca -0.11 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 62.66 3he3 s PRO 336 Cb -0.16 -1.92 0.18 0.00 0.02 0.00 0.00 34.50 32.62 3he3 s PRO 336 CO 0.04 -1.28 0.53 0.08 -0.33 0.00 0.00 177.00 176.04 3he3 s VAL 337 N -1.68 4.07 -0.44 3.83 1.01 -1.24 -4.79 120.40 121.15 3he3 s VAL 337 Ca 0.76 -3.01 -0.27 0.00 0.00 0.00 0.00 61.98 59.47 3he3 s VAL 337 Cb -0.30 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3he3 s VAL 337 CO 0.35 -0.93 2.07 -2.84 0.00 0.00 0.00 175.10 173.75 3he3 s PRO 338 N -0.20 2.72 0.13 2.72 0.02 -1.26 -4.73 135.00 134.41 3he3 s PRO 338 Ca 0.18 1.28 -0.18 0.00 0.02 0.00 0.00 61.00 62.31 3he3 s PRO 338 Cb -0.17 -4.40 0.04 0.00 0.02 0.00 0.00 34.50 29.99 3he3 s PRO 338 CO -0.05 -2.58 0.45 -0.98 -0.33 0.00 0.00 177.00 173.51 3he3 s ARG 339 N 6.96 1.10 0.21 5.54 1.70 -1.26 -1.73 118.95 131.47 3he3 s ARG 339 Ca 0.85 -0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 55.37 3he3 s ARG 339 Cb -0.20 0.49 0.28 0.00 -0.57 0.00 0.00 34.95 34.96 3he3 s ARG 339 CO 0.28 -0.44 1.66 -1.35 -1.08 0.00 0.00 175.30 174.36 3he3 h PRO 340 N 2.34 0.09 -0.49 3.89 0.11 -1.92 -0.70 132.00 135.32 3he3 h PRO 340 Ca -0.34 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 3he3 h PRO 340 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3he3 h PRO 340 CO 0.45 0.06 -0.08 1.05 -0.21 0.00 0.00 178.00 179.27 3he3 h GLU 341 N 0.09 0.88 -0.33 1.05 4.11 -1.97 -1.56 114.58 116.85 3he3 h GLU 341 Ca 0.32 -0.29 -0.14 0.00 0.07 0.00 0.00 59.36 59.32 3he3 h GLU 341 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3he3 h GLU 341 CO -0.54 0.93 -0.35 -0.91 0.07 0.00 0.00 179.01 178.20 3he3 h ASN 342 N 0.80 0.79 -0.97 3.06 2.35 -1.68 -1.42 115.58 118.50 3he3 h ASN 342 Ca 0.14 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.57 3he3 h ASN 342 Cb 0.59 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3he3 h ASN 342 CO 0.04 1.06 0.64 0.00 -1.65 0.00 0.00 177.43 177.52 3he3 h ALA 343 N 0.98 1.25 0.32 -0.83 0.00 -0.93 0.16 119.26 120.19 3he3 h ALA 343 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3he3 h ALA 343 Cb 0.89 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3he3 h ALA 343 CO 0.08 0.59 -0.15 1.49 0.00 0.00 0.00 179.25 181.26 3he3 h GLU 344 N 1.29 -0.41 -0.69 0.00 4.57 -0.97 -0.78 114.58 117.58 3he3 h GLU 344 Ca 0.36 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.62 3he3 h GLU 344 Cb -0.11 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 3he3 h GLU 344 CO -0.09 -0.25 0.41 1.25 -1.18 0.00 0.00 179.01 179.15 3he3 h LEU 345 N -0.47 0.63 -1.31 1.64 6.46 -1.00 -2.39 115.31 118.86 3he3 h LEU 345 Ca -0.04 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 3he3 h LEU 345 Cb 0.35 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3he3 h LEU 345 CO 0.07 0.41 0.06 0.22 -0.62 0.00 0.00 178.44 178.59 3he3 h TYR 346 N 0.76 0.53 -0.68 1.25 3.20 -0.38 -2.44 116.97 119.22 3he3 h TYR 346 Ca 0.30 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.17 3he3 h TYR 346 Cb 0.14 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3he3 h TYR 346 CO -0.06 0.49 0.45 -0.22 -1.64 0.00 0.00 178.16 177.17 3he3 h LYS 347 N 0.51 0.78 0.05 1.82 3.64 -0.61 0.12 116.57 122.87 3he3 h LYS 347 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3he3 h LYS 347 Cb 0.24 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3he3 h LYS 347 CO 0.00 0.52 -0.02 0.87 -2.27 0.00 0.00 179.45 178.54 3he3 h LYS 348 N 0.80 -0.06 -0.32 1.90 1.79 -1.42 -2.33 116.57 116.93 3he3 h LYS 348 Ca 0.27 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.68 3he3 h LYS 348 Cb 0.08 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3he3 h LYS 348 CO -0.08 0.05 -0.09 1.88 -1.08 0.00 0.00 179.45 180.13 3he3 h TYR 349 N -0.15 0.57 -0.35 -1.35 -1.99 -1.36 -2.71 116.97 109.62 3he3 h TYR 349 Ca -0.01 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.61 3he3 h TYR 349 Cb 0.14 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 3he3 h TYR 349 CO -0.04 0.61 0.09 1.49 -0.00 0.00 0.00 178.16 180.30 3he3 h GLU 350 N 0.50 0.50 -0.40 4.88 4.81 -0.52 -0.80 114.58 123.54 3he3 h GLU 350 Ca 0.10 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3he3 h GLU 350 Cb 0.46 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3he3 h GLU 350 CO 0.02 0.47 0.07 0.00 -0.73 0.00 0.00 179.01 178.84 3he3 h ALA 351 N 1.60 0.54 -0.61 2.92 0.00 -1.10 -1.53 119.26 121.08 3he3 h ALA 351 Ca 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3he3 h ALA 351 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3he3 h ALA 351 CO -0.00 0.25 0.27 -0.07 0.00 0.00 0.00 179.25 179.69 3he3 h LEU 352 N 0.52 0.79 0.23 0.00 3.38 -1.30 -1.98 115.31 116.96 3he3 h LEU 352 Ca 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3he3 h LEU 352 Cb 0.37 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3he3 h LEU 352 CO 0.01 0.69 -0.11 0.00 0.09 0.00 0.00 178.44 179.12 3he3 h ALA 353 N 1.43 -0.31 -0.78 1.53 0.00 -0.95 -1.20 119.26 118.97 3he3 h ALA 353 Ca 0.21 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3he3 h ALA 353 Cb 0.13 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3he3 h ALA 353 CO -0.02 -0.56 0.52 -0.44 0.00 0.00 0.00 179.25 178.74 3he3 h ASP 354 N -0.55 0.48 0.70 0.00 3.45 -1.18 -0.84 116.42 118.49 3he3 h ASP 354 Ca -0.03 0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.33 3he3 h ASP 354 Cb 0.40 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3he3 h ASP 354 CO 0.05 0.25 -0.58 0.00 -1.57 0.00 0.00 179.24 177.39 3he3 h ALA 355 N 1.63 0.94 -1.81 3.45 0.00 -1.03 -3.44 119.26 119.01 3he3 h ALA 355 Ca 0.38 -0.53 -0.62 0.00 0.00 0.00 0.00 54.91 54.15 3he3 h ALA 355 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3he3 h ALA 355 CO -0.14 0.73 1.31 0.00 0.00 0.00 0.00 179.25 181.15 3he3 n ALA 356 N -2.39 1.25 0.09 0.00 0.00 -0.32 -4.89 120.51 114.26 3he3 n ALA 356 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 3he3 n ALA 356 Cb 0.61 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.39 3he3 n ALA 356 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3he3 h GLN 357 N 11.85 -0.26 -1.12 0.00 5.75 -1.86 -3.30 115.11 126.19 3he3 h GLN 357 Ca -0.41 0.02 -0.65 0.00 -0.15 0.00 0.00 58.65 57.46 3he3 h GLN 357 Cb 1.27 0.06 -0.34 0.00 1.07 0.00 0.00 27.48 29.54 3he3 h GLN 357 CO 0.97 -0.17 0.29 -0.25 -2.65 0.00 0.00 178.83 177.02 3he3 n ASP 358 N -2.94 6.65 -4.06 -0.69 9.92 -1.26 -4.92 116.55 119.24 3he3 n ASP 358 Ca -0.03 -3.78 -0.23 0.00 -0.53 0.00 0.00 54.79 50.22 3he3 n ASP 358 Cb 0.11 -0.77 -0.16 0.00 -0.64 0.00 0.00 41.12 39.67 3he3 n ASP 358 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3he3 s VAL 359 N -4.86 1.10 -0.09 2.53 1.01 -1.24 -1.19 120.40 117.66 3he3 s VAL 359 Ca 0.58 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3he3 s VAL 359 Cb 0.46 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 3he3 s VAL 359 CO -0.07 0.33 -0.22 -0.89 0.00 0.00 0.00 175.10 174.25 3he3 s THR 360 N 0.15 2.32 -0.23 3.92 2.01 0.53 -4.87 115.64 119.47 3he3 s THR 360 Ca -0.04 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 3he3 s THR 360 Cb -0.10 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3he3 s THR 360 CO 0.01 0.56 0.10 -0.36 -0.69 0.00 0.00 174.62 174.24 3he3 s PHE 361 N 0.10 3.21 -0.07 4.92 0.40 -1.26 -0.97 117.98 124.30 3he3 s PHE 361 Ca -0.10 -0.04 -0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3he3 s PHE 361 Cb -0.16 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.19 3he3 s PHE 361 CO 0.06 -0.06 0.20 0.54 0.70 0.00 0.00 175.22 176.65 3he3 s VAL 362 N 1.07 0.00 0.00 -0.44 0.11 -1.10 -4.86 120.40 115.18 3he3 s VAL 362 Ca 0.05 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 3he3 s VAL 362 Cb -0.14 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3he3 s VAL 362 CO 0.04 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 3he3 n GLY 363 N 2.93 2.73 0.37 6.54 0.00 -1.26 -4.19 105.19 112.31 3he3 n GLY 363 Ca -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 3he3 n GLY 363 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3he3 h ARG 364 N 0.00 1.25 0.20 1.61 2.43 -1.89 -2.58 114.38 115.41 3he3 h ARG 364 Ca 0.00 -0.08 -0.31 0.00 -0.81 0.00 0.00 59.98 58.78 3he3 h ARG 364 Cb 0.00 -0.28 0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3he3 h ARG 364 CO 0.00 0.83 -1.45 -0.07 -1.51 0.00 0.00 179.97 177.77 3he3 h LEU 365 N 1.29 0.66 -0.72 3.80 3.38 -1.82 -1.44 115.31 120.46 3he3 h LEU 365 Ca 0.37 -0.92 -0.14 0.00 0.09 0.00 0.00 57.88 57.28 3he3 h LEU 365 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3he3 h LEU 365 CO -0.10 1.68 -0.57 0.00 0.09 0.00 0.00 178.44 179.55 3he3 h ALA 366 N 0.10 0.91 -0.18 1.53 0.00 -1.30 -3.02 119.26 117.30 3he3 h ALA 366 Ca -0.27 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3he3 h ALA 366 Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3he3 h ALA 366 CO 0.20 0.70 0.00 0.25 0.00 0.00 0.00 179.25 180.40 3he3 n THR 367 N -3.90 0.34 -3.59 0.00 -2.24 -0.98 -4.45 114.28 99.46 3he3 n THR 367 Ca -0.02 -0.67 -0.21 0.00 -2.27 0.00 0.00 64.05 60.88 3he3 n THR 367 Cb 0.59 1.05 0.07 0.00 -2.10 0.00 0.00 70.33 69.93 3he3 n THR 367 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3he3 n TYR 368 N 0.91 -2.30 -5.17 4.78 9.36 -0.97 -4.99 117.16 118.78 3he3 n TYR 368 Ca 0.12 0.93 -0.32 0.00 3.32 0.00 0.00 57.90 61.95 3he3 n TYR 368 Cb 0.43 -4.78 -0.17 0.00 -0.63 0.00 0.00 39.34 34.20 3he3 n TYR 368 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3he3 s ARG 369 N -5.89 3.04 -1.02 2.98 0.52 -0.58 -4.92 118.95 113.08 3he3 s ARG 369 Ca 0.22 -0.86 -0.23 0.00 -0.52 0.00 0.00 55.73 54.34 3he3 s ARG 369 Cb -0.10 -2.33 -0.13 0.00 0.52 0.00 0.00 34.95 32.91 3he3 s ARG 369 CO 0.76 0.21 1.93 0.98 0.02 0.00 0.00 175.30 179.19 3he3 n TYR 370 N 3.46 2.29 -4.06 -0.53 4.19 -1.26 -4.54 117.16 116.71 3he3 n TYR 370 Ca -0.19 -1.47 -0.34 0.00 3.31 0.00 0.00 57.90 59.21 3he3 n TYR 370 Cb 0.53 -2.29 -0.07 0.00 0.49 0.00 0.00 39.34 38.00 3he3 n TYR 370 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 3he3 s TYR 371 N 9.45 3.39 0.60 2.98 2.02 -1.26 -5.12 117.35 129.40 3he3 s TYR 371 Ca 0.66 0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 57.59 3he3 s TYR 371 Cb 0.04 -1.82 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3he3 s TYR 371 CO 0.14 0.60 0.94 -0.80 -1.57 0.00 0.00 175.55 174.86 3he3 s ASN 372 N -1.41 5.80 0.18 2.29 0.01 -1.26 -4.89 114.94 115.66 3he3 s ASN 372 Ca 0.20 0.96 -0.18 0.00 -0.71 0.00 0.00 52.86 53.12 3he3 s ASN 372 Cb -0.12 -1.99 0.13 0.00 0.41 0.00 0.00 41.25 39.69 3he3 s ASN 372 CO 0.10 -0.99 1.62 0.24 -1.51 0.00 0.00 177.10 176.55 3he3 h MET 373 N -0.22 -0.11 -0.61 -0.60 2.86 -1.93 -1.22 114.93 113.09 3he3 h MET 373 Ca -0.45 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 3he3 h MET 373 Cb 1.23 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 3he3 h MET 373 CO 0.62 -0.08 0.30 0.38 1.06 0.00 0.00 176.91 179.19 3he3 h ASP 374 N -0.12 0.77 -0.55 1.22 -0.00 -1.95 -0.35 116.42 115.44 3he3 h ASP 374 Ca 0.23 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.03 57.12 3he3 h ASP 374 Cb 0.48 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 3he3 h ASP 374 CO -0.56 0.65 0.10 1.56 -0.00 0.00 0.00 179.24 180.99 3he3 h GLN 375 N 0.86 0.91 -0.56 4.15 4.20 -1.68 -0.83 115.11 122.15 3he3 h GLN 375 Ca 0.22 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3he3 h GLN 375 Cb 0.08 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3he3 h GLN 375 CO -0.03 0.87 0.28 0.28 -0.67 0.00 0.00 178.83 179.56 3he3 h VAL 376 N 0.80 1.20 -0.95 -0.54 2.07 -0.39 -0.23 116.25 118.21 3he3 h VAL 376 Ca 0.17 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3he3 h VAL 376 Cb 0.39 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3he3 h VAL 376 CO 0.01 0.22 0.63 0.58 0.02 0.00 0.00 177.57 179.03 3he3 h VAL 377 N 0.76 1.22 -0.40 2.57 2.07 -0.81 -0.31 116.25 121.35 3he3 h VAL 377 Ca 0.19 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3he3 h VAL 377 Cb 0.10 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 3he3 h VAL 377 CO -0.03 0.23 0.01 0.00 0.02 0.00 0.00 177.57 177.81 3he3 h ALA 378 N 1.36 0.54 -0.76 1.67 0.00 -0.79 -0.88 119.26 120.40 3he3 h ALA 378 Ca 0.36 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3he3 h ALA 378 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3he3 h ALA 378 CO -0.09 0.31 0.49 0.37 0.00 0.00 0.00 179.25 180.33 3he3 h GLN 379 N 0.53 0.95 -0.37 0.00 4.15 -0.39 -0.01 115.11 119.98 3he3 h GLN 379 Ca 0.12 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 3he3 h GLN 379 Cb 0.46 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3he3 h GLN 379 CO 0.02 0.63 -0.27 0.00 -1.93 0.00 0.00 178.83 177.28 3he3 h ALA 380 N 1.30 0.53 -0.77 3.38 0.00 -0.88 -0.93 119.26 121.90 3he3 h ALA 380 Ca 0.30 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3he3 h ALA 380 Cb -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3he3 h ALA 380 CO -0.09 0.54 0.51 -0.07 0.00 0.00 0.00 179.25 180.14 3he3 h LEU 381 N 0.63 0.88 -0.66 0.00 3.38 -0.82 -0.78 115.31 117.95 3he3 h LEU 381 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3he3 h LEU 381 Cb 0.85 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3he3 h LEU 381 CO 0.07 0.64 0.27 0.00 0.09 0.00 0.00 178.44 179.51 3he3 h ALA 382 N 1.28 0.85 -0.59 1.53 0.00 -0.79 -2.61 119.26 118.94 3he3 h ALA 382 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3he3 h ALA 382 Cb -0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3he3 h ALA 382 CO -0.06 0.47 0.17 1.15 0.00 0.00 0.00 179.25 180.97 3he3 h THR 383 N 0.93 1.25 -0.31 0.00 2.02 -0.78 -1.97 112.91 114.05 3he3 h THR 383 Ca 0.22 -0.86 0.07 0.00 0.77 0.00 0.00 66.41 66.61 3he3 h THR 383 Cb 0.20 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3he3 h THR 383 CO -0.02 0.32 0.22 0.15 0.37 0.00 0.00 175.52 176.56 3he3 h PHE 384 N 0.84 0.11 -0.21 3.16 3.57 -0.94 -2.35 116.94 121.12 3he3 h PHE 384 Ca 0.19 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.49 3he3 h PHE 384 Cb 0.31 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3he3 h PHE 384 CO 0.02 0.06 -0.67 0.00 -2.23 0.00 0.00 178.31 175.49 3he3 h ARG 385 N 0.11 0.80 0.90 1.11 3.08 -0.98 -1.72 114.38 117.67 3he3 h ARG 385 Ca 0.14 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.57 3he3 h ARG 385 Cb 0.43 0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.59 3he3 h ARG 385 CO -0.02 1.20 -0.43 0.00 -1.07 0.00 0.00 179.97 179.66 3he3 h ARG 386 N 0.58 -1.16 -1.42 0.04 3.08 -1.17 -0.84 114.38 113.48 3he3 h ARG 386 Ca -0.02 0.08 0.41 0.00 0.07 0.00 0.00 59.98 60.52 3he3 h ARG 386 Cb 1.29 0.26 -0.07 0.00 0.08 0.00 0.00 29.97 31.53 3he3 h ARG 386 CO 0.14 -0.77 1.01 -0.07 -1.07 0.00 0.00 179.97 179.21 3he3 h LEU 387 N -1.24 0.04 0.00 3.04 4.07 -1.50 0.16 115.31 119.88 3he3 h LEU 387 Ca -0.12 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3he3 h LEU 387 Cb 0.92 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.67 3he3 h LEU 387 CO 0.20 -0.01 -0.82 -0.61 -1.08 0.00 0.00 178.44 176.13 3he3 h GLN 388 N 0.03 0.00 0.00 1.13 5.75 -0.85 -3.48 115.11 117.69 3he3 h GLN 388 Ca 0.69 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.19 3he3 h GLN 388 Cb 2.69 0.00 0.00 0.00 1.07 0.00 0.00 27.48 31.24 3he3 h GLN 388 CO -0.05 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.54 3he3 n GLY 389 N 1.19 1.50 0.00 2.39 0.00 0.55 -5.07 105.19 105.76 3he3 n GLY 389 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.18 3he3 n GLY 389 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14