#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he3 n GLY 29 N 0.00 0.25 2.91 3.14 0.00 -1.26 -5.10 105.19 105.13 3he3 n GLY 29 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.16 -0.05 0.00 1.61 0.40 -0.68 -5.00 117.98 114.43 3he3 s PHE 30 Ca 0.00 0.13 -0.22 0.00 -0.60 0.00 0.00 56.93 56.24 3he3 s PHE 30 Cb 0.00 0.00 -0.19 0.00 0.51 0.00 0.00 43.02 43.35 3he3 s PHE 30 CO 0.00 -0.03 1.21 -0.44 0.70 0.00 0.00 175.22 176.66 3he3 h ASP 31 N 6.16 0.33 -4.06 1.36 3.32 -1.53 -2.58 116.42 119.43 3he3 h ASP 31 Ca -0.26 -0.61 -0.51 0.00 0.02 0.00 0.00 57.03 55.67 3he3 h ASP 31 Cb 1.20 -0.10 -0.30 0.00 0.22 0.00 0.00 39.33 40.35 3he3 h ASP 31 CO 0.48 0.89 -0.82 -0.31 -1.72 0.00 0.00 179.24 177.75 3he3 s TYR 32 N -3.78 1.42 -0.24 4.55 2.02 -1.03 -1.47 117.35 118.82 3he3 s TYR 32 Ca -0.15 -0.33 -0.07 0.00 -0.37 0.00 0.00 57.07 56.15 3he3 s TYR 32 Cb 0.03 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 3he3 s TYR 32 CO 0.75 -0.08 0.05 -1.17 -1.57 0.00 0.00 175.55 173.53 3he3 s LEU 33 N -0.13 3.35 -0.26 -1.29 2.96 -0.07 -1.67 118.68 121.57 3he3 s LEU 33 Ca 0.01 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3he3 s LEU 33 Cb -0.08 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 3he3 s LEU 33 CO 0.00 -0.03 0.04 -0.63 -1.32 0.00 0.00 176.35 174.41 3he3 s ILE 34 N 1.59 3.83 -0.47 6.68 1.01 0.12 -1.16 121.20 132.80 3he3 s ILE 34 Ca 0.06 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 3he3 s ILE 34 Cb -0.15 -2.86 0.04 0.00 0.01 0.00 0.00 42.46 39.50 3he3 s ILE 34 CO 0.02 0.25 0.56 -0.69 0.00 0.00 0.00 174.94 175.08 3he3 s VAL 35 N 1.51 4.95 0.00 2.92 1.01 0.33 -0.50 120.40 130.63 3he3 s VAL 35 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3he3 s VAL 35 Cb -0.16 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3he3 s VAL 35 CO 0.01 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.08 3he3 n GLY 36 N 5.13 2.74 1.04 4.51 0.00 0.83 -1.73 105.19 117.71 3he3 n GLY 36 Ca -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.67 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 1.49 3.70 -1.00 4.61 0.00 -1.26 -3.92 120.51 124.13 3he3 n ALA 37 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.69 3he3 n ALA 37 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.87 -1.68 0.20 0.00 0.00 -1.26 -1.57 105.19 100.00 3he3 n GLY 38 Ca 0.28 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.57 0.24 0.40 1.61 -1.00 -1.94 -0.83 116.94 114.84 3he3 h PHE 39 Ca 0.00 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 3he3 h PHE 39 Cb 0.00 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.53 3he3 h PHE 39 CO 0.00 0.05 -0.19 0.00 -1.61 0.00 0.00 178.31 176.56 3he3 h ALA 40 N 1.35 -0.53 -0.54 2.45 0.00 -1.92 -0.93 119.26 119.14 3he3 h ALA 40 Ca 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3he3 h ALA 40 Cb 0.28 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3he3 h ALA 40 CO -0.27 -0.76 0.23 0.78 0.00 0.00 0.00 179.25 179.22 3he3 h GLY 41 N -0.60 0.86 0.88 0.00 0.00 -1.66 -3.05 103.07 99.50 3he3 h GLY 41 Ca -0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 3he3 h GLY 41 CO 0.09 0.43 -0.30 1.76 0.00 0.00 0.00 176.54 178.53 3he3 h SER 42 N 0.73 0.61 -0.90 0.19 0.02 -1.12 -1.84 113.55 111.24 3he3 h SER 42 Ca 0.18 -0.52 0.06 0.00 -0.84 0.00 0.00 61.79 60.67 3he3 h SER 42 Cb 0.18 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 3he3 h SER 42 CO -0.02 1.01 0.57 0.58 -1.14 0.00 0.00 176.83 177.83 3he3 h VAL 43 N 0.23 1.08 -0.30 2.27 2.07 -1.20 -1.50 116.25 118.90 3he3 h VAL 43 Ca 0.02 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 3he3 h VAL 43 Cb 0.87 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3he3 h VAL 43 CO 0.07 0.19 -0.37 -0.07 0.02 0.00 0.00 177.57 177.41 3he3 h LEU 44 N 1.06 0.84 -0.57 2.57 3.38 -1.50 -2.55 115.31 118.54 3he3 h LEU 44 Ca 0.38 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.94 3he3 h LEU 44 Cb 0.13 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3he3 h LEU 44 CO -0.16 1.17 0.23 0.00 0.09 0.00 0.00 178.44 179.77 3he3 h ALA 45 N 0.70 0.74 -0.33 1.53 0.00 -0.79 0.72 119.26 121.83 3he3 h ALA 45 Ca 0.04 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3he3 h ALA 45 Cb 0.96 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3he3 h ALA 45 CO 0.09 -0.16 -0.22 1.49 0.00 0.00 0.00 179.25 180.45 3he3 h GLU 46 N 0.44 0.64 -0.01 0.00 4.22 -1.26 -0.94 114.58 117.67 3he3 h GLU 46 Ca 0.28 -0.24 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 3he3 h GLU 46 Cb 0.30 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3he3 h GLU 46 CO -0.26 0.81 -0.02 0.00 -2.18 0.00 0.00 179.01 177.37 3he3 h ARG 47 N 0.56 0.03 -0.70 1.92 2.47 -0.97 -1.85 114.38 115.84 3he3 h ARG 47 Ca 0.08 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 3he3 h ARG 47 Cb 0.68 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 3he3 h ARG 47 CO 0.05 0.56 0.39 -0.07 0.56 0.00 0.00 179.97 181.46 3he3 h LEU 48 N -0.50 0.87 -1.02 3.04 4.07 -0.87 -2.61 115.31 118.29 3he3 h LEU 48 Ca 0.00 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 3he3 h LEU 48 Cb 0.56 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 3he3 h LEU 48 CO 0.00 0.71 -0.37 0.00 -1.08 0.00 0.00 178.44 177.70 3he3 h ALA 49 N 1.20 1.18 0.00 1.53 0.00 -1.23 -1.23 119.26 120.71 3he3 h ALA 49 Ca 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3he3 h ALA 49 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3he3 h ALA 49 CO -0.04 0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 3he3 n SER 50 N -4.06 0.06 -0.56 0.00 3.41 -0.70 -2.31 113.62 109.46 3he3 n SER 50 Ca -0.01 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 3he3 n SER 50 Cb 0.44 -0.52 0.17 0.00 -0.26 0.00 0.00 64.21 64.04 3he3 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3he3 n SER 51 N -1.56 3.10 0.00 4.04 3.41 -0.94 -4.98 113.62 116.69 3he3 n SER 51 Ca 0.05 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 3he3 n SER 51 Cb 0.23 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.36 0.46 3.73 5.00 0.00 -0.98 -5.06 105.19 107.99 3he3 n GLY 52 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.90 4.66 -0.30 1.61 -1.52 -0.51 -4.98 119.66 117.72 3he3 s GLN 53 Ca 0.00 1.59 -0.28 0.00 -1.95 0.00 0.00 55.36 54.72 3he3 s GLN 53 Cb 0.00 -3.32 0.01 0.00 -0.22 0.00 0.00 33.01 29.48 3he3 s GLN 53 CO 0.00 0.16 1.02 1.03 -0.25 0.00 0.00 175.29 177.25 3he3 s ARG 54 N -0.26 4.10 -0.09 2.91 0.52 -1.26 -3.95 118.95 120.91 3he3 s ARG 54 Ca 0.48 1.06 0.02 0.00 -0.52 0.00 0.00 55.73 56.77 3he3 s ARG 54 Cb -0.27 -3.71 -0.02 0.00 0.52 0.00 0.00 34.95 31.47 3he3 s ARG 54 CO 0.32 -0.80 -0.13 0.08 0.02 0.00 0.00 175.30 174.79 3he3 s VAL 55 N 3.43 3.08 -0.29 3.52 1.01 0.73 -1.39 120.40 130.48 3he3 s VAL 55 Ca 0.43 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3he3 s VAL 55 Cb -0.13 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.04 3he3 s VAL 55 CO 0.13 0.56 0.01 -0.22 0.00 0.00 0.00 175.10 175.57 3he3 s LEU 56 N -0.22 3.71 -0.21 3.92 2.96 -0.67 -0.66 118.68 127.52 3he3 s LEU 56 Ca 0.01 -1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 52.80 3he3 s LEU 56 Cb -0.13 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3he3 s LEU 56 CO 0.03 -0.22 0.09 -0.51 -1.32 0.00 0.00 176.35 174.42 3he3 s ILE 57 N 1.33 4.86 0.11 6.68 2.07 0.17 -0.71 121.20 135.72 3he3 s ILE 57 Ca -0.02 -0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.32 3he3 s ILE 57 Cb -0.18 -3.22 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 3he3 s ILE 57 CO -0.01 0.41 -0.24 0.54 -1.91 0.00 0.00 174.94 173.73 3he3 s VAL 58 N 0.77 1.97 -0.11 4.00 0.11 0.35 -0.79 120.40 126.69 3he3 s VAL 58 Ca 0.05 -1.63 -0.10 0.00 -2.93 0.00 0.00 61.98 57.37 3he3 s VAL 58 Cb -0.13 -1.76 0.03 0.00 -1.53 0.00 0.00 36.38 32.99 3he3 s VAL 58 CO 0.02 0.03 0.30 -0.62 -3.33 0.00 0.00 175.10 171.50 3he3 s ASP 59 N -1.94 -0.31 0.43 3.54 -1.08 -0.36 -0.12 116.67 116.83 3he3 s ASP 59 Ca 0.10 0.59 0.29 0.00 -0.52 0.00 0.00 52.55 53.02 3he3 s ASP 59 Cb -0.10 0.61 1.13 0.00 -1.46 0.00 0.00 42.92 43.09 3he3 s ASP 59 CO 0.05 -0.11 1.85 0.08 0.52 0.00 0.00 175.17 177.56 3he3 h ARG 60 N 5.65 0.00 -7.26 4.34 0.11 -1.74 -1.49 114.38 113.98 3he3 h ARG 60 Ca -0.26 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.31 3he3 h ARG 60 Cb 1.19 0.00 0.05 0.00 1.11 0.00 0.00 29.97 32.32 3he3 h ARG 60 CO 0.32 0.00 0.35 1.03 0.10 0.00 0.00 179.97 181.76 3he3 s ARG 61 N -3.48 3.57 0.00 0.08 0.52 -1.26 -3.89 118.95 114.48 3he3 s ARG 61 Ca 0.03 0.61 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 3he3 s ARG 61 Cb 0.09 -2.15 0.03 0.00 0.52 0.00 0.00 34.95 33.44 3he3 s ARG 61 CO 0.51 -0.49 1.02 -2.30 0.02 0.00 0.00 175.30 174.06 3he3 n PRO 62 N -2.64 1.06 -3.87 3.54 -0.02 -1.26 -0.92 135.00 130.89 3he3 n PRO 62 Ca 0.05 -0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 3he3 n PRO 62 Cb 0.54 -1.02 -0.06 0.00 -0.02 0.00 0.00 33.50 32.94 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 -1.97 0.19 0.81 6.00 -3.43 -1.26 -4.81 115.29 110.82 3he3 s HIS 63 Ca 0.02 -0.55 -0.08 0.00 -0.80 0.00 0.00 55.06 53.65 3he3 s HIS 63 Cb 0.01 0.12 0.14 0.00 -1.43 0.00 0.00 32.58 31.42 3he3 s HIS 63 CO 0.01 -0.79 1.12 0.96 -2.00 0.00 0.00 174.74 174.04 3he3 s ILE 64 N -3.93 2.12 0.00 -5.38 -4.36 -1.26 -4.67 121.20 103.71 3he3 s ILE 64 Ca 0.14 -0.31 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 3he3 s ILE 64 Cb 0.02 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.92 3he3 s ILE 64 CO -0.01 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.78 3he3 n GLY 65 N -3.19 1.18 7.00 6.27 0.00 -0.61 -4.57 105.19 111.26 3he3 n GLY 65 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 1.84 0.35 -0.02 0.00 -1.24 -1.66 105.19 102.45 3he3 n GLY 66 Ca 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 8.96 0.00 0.22 1.61 2.35 -1.96 -2.42 115.58 124.33 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 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.77 3he3 n ALA 68 N -2.42 2.63 -1.75 -0.83 0.00 -0.67 -4.38 120.51 113.09 3he3 n ALA 68 Ca 0.04 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3he3 n ALA 68 Cb 0.40 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.03 2.76 -4.10 0.00 9.36 -0.92 -4.62 117.16 118.61 3he3 n TYR 69 Ca 0.20 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.71 3he3 n TYR 69 Cb 0.18 -2.52 -0.11 0.00 -0.63 0.00 0.00 39.34 36.26 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 0.01 1.03 0.30 2.98 3.84 -1.26 -4.06 116.67 119.51 3he3 s ASP 70 Ca 0.57 -0.66 -0.09 0.00 -0.00 0.00 0.00 52.55 52.37 3he3 s ASP 70 Cb -0.51 0.04 0.01 0.00 -1.38 0.00 0.00 42.92 41.07 3he3 s ASP 70 CO 0.59 -0.24 0.53 0.00 -0.00 0.00 0.00 175.17 176.04 3he3 s TYR 72 N -3.39 3.27 1.08 0.00 2.02 -1.26 -1.02 117.35 118.04 3he3 s TYR 72 Ca 0.24 0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 57.09 3he3 s TYR 72 Cb -0.01 -2.46 0.24 0.00 -0.40 0.00 0.00 41.96 39.33 3he3 s TYR 72 CO 0.14 -0.13 1.22 0.16 -1.57 0.00 0.00 175.55 175.37 3he3 s ASP 73 N 1.50 2.03 0.52 2.29 1.47 -0.48 -4.82 116.67 119.18 3he3 s ASP 73 Ca 0.12 0.42 0.27 0.00 1.18 0.00 0.00 52.55 54.54 3he3 s ASP 73 Cb -0.15 -0.55 1.39 0.00 -0.34 0.00 0.00 42.92 43.27 3he3 s ASP 73 CO 0.09 -3.42 1.95 0.44 0.68 0.00 0.00 175.17 174.91 3he3 h ASP 74 N -2.11 0.04 0.69 2.11 5.19 -1.98 0.18 116.42 120.54 3he3 h ASP 74 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3he3 h ASP 74 Cb 1.26 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 3he3 h ASP 74 CO 0.35 0.02 -0.10 0.00 -3.12 0.00 0.00 179.24 176.39 3he3 n ALA 75 N -2.66 2.65 -0.92 3.45 0.00 -1.26 -4.91 120.51 116.86 3he3 n ALA 75 Ca 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3he3 n ALA 75 Cb 0.74 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.40 0.74 3.80 0.00 0.00 0.05 -5.01 105.19 106.18 3he3 n GLY 76 Ca 0.10 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 5.01 -0.44 1.61 1.01 -1.26 -4.86 120.40 119.47 3he3 s VAL 77 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 3he3 s VAL 77 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3he3 s VAL 77 CO 0.00 0.57 1.20 -0.22 0.00 0.00 0.00 175.10 176.64 3he3 s LEU 78 N -1.12 3.66 0.38 3.92 2.96 -1.26 -1.38 118.68 125.84 3he3 s LEU 78 Ca 0.16 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.74 3he3 s LEU 78 Cb -0.12 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 3he3 s LEU 78 CO 0.05 -1.25 0.04 0.27 -1.32 0.00 0.00 176.35 174.14 3he3 s ILE 79 N 4.59 1.50 -0.34 6.68 -4.36 -0.19 -4.73 121.20 124.34 3he3 s ILE 79 Ca 0.51 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.90 3he3 s ILE 79 Cb -0.09 -2.82 0.09 0.00 1.25 0.00 0.00 42.46 40.89 3he3 s ILE 79 CO 0.30 0.00 0.07 -1.00 0.24 0.00 0.00 174.94 174.55 3he3 s HIS 80 N -3.02 3.52 0.47 1.37 3.76 -1.26 -2.38 115.29 117.75 3he3 s HIS 80 Ca 0.33 -2.42 0.24 0.00 -0.15 0.00 0.00 55.06 53.06 3he3 s HIS 80 Cb 0.08 -2.70 1.27 0.00 1.11 0.00 0.00 32.58 32.34 3he3 s HIS 80 CO 0.16 -0.91 1.87 -1.35 -0.85 0.00 0.00 174.74 173.66 3he3 h PRO 81 N 7.88 0.21 -0.70 8.40 0.11 -1.89 -2.21 132.00 143.79 3he3 h PRO 81 Ca -0.13 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.51 3he3 h PRO 81 Cb 1.04 -0.05 -0.26 0.00 0.11 0.00 0.00 31.00 31.84 3he3 h PRO 81 CO 0.58 0.14 0.07 0.66 -0.21 0.00 0.00 178.00 179.23 3he3 n TYR 82 N -4.41 2.32 0.00 0.65 4.02 -1.26 -4.91 117.16 113.57 3he3 n TYR 82 Ca 0.19 -2.18 0.00 0.00 -0.01 0.00 0.00 57.90 55.89 3he3 n TYR 82 Cb 0.81 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 -0.97 0.14 3.67 2.72 0.00 -0.83 -4.93 105.19 104.98 3he3 n GLY 83 Ca 0.47 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.63 4.16 -0.44 1.61 0.04 -1.26 -4.73 135.00 131.75 3he3 s PRO 84 Ca 0.00 2.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.46 3he3 s PRO 84 Cb 0.00 -3.98 0.12 0.00 0.04 0.00 0.00 34.50 30.68 3he3 s PRO 84 CO 0.00 -0.89 0.25 -1.01 0.04 0.00 0.00 177.00 175.40 3he3 s HIS 85 N 3.92 3.54 -0.22 0.56 3.76 -1.26 -5.07 115.29 120.52 3he3 s HIS 85 Ca 0.82 -2.32 -0.13 0.00 -0.15 0.00 0.00 55.06 53.28 3he3 s HIS 85 Cb -0.40 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 29.95 3he3 s HIS 85 CO 0.37 -0.97 0.27 0.42 -0.85 0.00 0.00 174.74 173.97 3he3 s ILE 86 N 1.10 5.29 -0.09 0.60 1.09 -1.26 -5.06 121.20 122.87 3he3 s ILE 86 Ca 0.08 0.42 -0.22 0.00 -1.10 0.00 0.00 60.65 59.83 3he3 s ILE 86 Cb -0.23 -3.60 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 3he3 s ILE 86 CO -0.03 0.30 0.66 0.12 -0.10 0.00 0.00 174.94 175.89 3he3 s PHE 87 N 1.18 3.55 -0.12 3.97 5.36 -1.26 -4.97 117.98 125.69 3he3 s PHE 87 Ca 0.13 1.17 -0.14 0.00 -0.96 0.00 0.00 56.93 57.12 3he3 s PHE 87 Cb -0.14 -2.77 0.04 0.00 -0.34 0.00 0.00 43.02 39.81 3he3 s PHE 87 CO 0.06 0.08 0.38 -3.38 -1.46 0.00 0.00 175.22 170.90 3he3 s HIS 88 N 0.87 -0.39 0.03 10.12 -3.43 -1.26 -3.14 115.29 118.09 3he3 s HIS 88 Ca 0.35 0.92 -0.21 0.00 -0.80 0.00 0.00 55.06 55.32 3he3 s HIS 88 Cb -0.17 0.14 0.05 0.00 -1.43 0.00 0.00 32.58 31.17 3he3 s HIS 88 CO 0.16 -0.24 0.49 -0.08 -2.00 0.00 0.00 174.74 173.07 3he3 s THR 89 N -0.03 0.04 -1.36 -5.38 -1.32 -0.71 -4.55 115.64 102.32 3he3 s THR 89 Ca -0.02 -0.30 0.22 0.00 -1.21 0.00 0.00 61.69 60.38 3he3 s THR 89 Cb -0.03 -0.93 -0.15 0.00 -1.51 0.00 0.00 72.50 69.88 3he3 s THR 89 CO 0.01 -0.17 0.97 0.59 -2.21 0.00 0.00 174.62 173.81 3he3 n ASN 90 N 0.59 1.36 -4.57 8.08 3.02 -1.26 -1.49 115.26 120.98 3he3 n ASN 90 Ca -0.19 -1.18 -0.43 0.00 -0.03 0.00 0.00 54.58 52.76 3he3 n ASN 90 Cb 0.59 0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 40.53 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 -2.82 6.51 0.13 6.41 0.15 -1.26 -4.85 113.70 117.97 3he3 s SER 91 Ca 0.12 0.20 -0.19 0.00 0.70 0.00 0.00 55.95 56.77 3he3 s SER 91 Cb 0.17 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.06 3he3 s SER 91 CO 0.77 -0.83 1.72 0.50 1.20 0.00 0.00 173.24 176.59 3he3 h LYS 92 N 8.70 0.06 -0.63 5.44 3.64 -2.00 -2.03 116.57 129.74 3he3 h LYS 92 Ca -0.25 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3he3 h LYS 92 Cb 1.09 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 3he3 h LYS 92 CO 0.94 0.04 0.23 -0.44 -2.27 0.00 0.00 179.45 177.95 3he3 h ASP 93 N 0.06 0.21 -0.14 4.20 3.32 -1.99 -0.58 116.42 121.49 3he3 h ASP 93 Ca 0.10 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3he3 h ASP 93 Cb 0.14 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3he3 h ASP 93 CO -0.18 0.11 0.04 0.58 -1.72 0.00 0.00 179.24 178.07 3he3 h VAL 94 N 0.40 1.19 -0.73 -1.35 2.07 -1.88 -0.28 116.25 115.66 3he3 h VAL 94 Ca 0.33 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3he3 h VAL 94 Cb 0.43 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3he3 h VAL 94 CO -0.34 0.18 0.42 0.15 0.02 0.00 0.00 177.57 177.99 3he3 h PHE 95 N 0.04 0.98 -0.04 1.57 3.04 -0.95 -1.72 116.94 119.87 3he3 h PHE 95 Ca 0.05 -0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.76 3he3 h PHE 95 Cb 0.24 -0.32 0.01 0.00 2.56 0.00 0.00 35.95 38.43 3he3 h PHE 95 CO 0.00 0.67 -0.89 0.93 -2.02 0.00 0.00 178.31 177.00 3he3 h GLU 96 N 1.02 0.52 0.32 1.11 5.08 -0.96 -0.46 114.58 121.21 3he3 h GLU 96 Ca 0.26 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3he3 h GLU 96 Cb -0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3he3 h GLU 96 CO -0.05 1.14 -0.17 -0.92 -1.00 0.00 0.00 179.01 178.02 3he3 h TYR 97 N 0.32 -0.43 -0.26 4.33 3.20 -0.80 -2.57 116.97 120.76 3he3 h TYR 97 Ca -0.07 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 3he3 h TYR 97 Cb 1.51 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 3he3 h TYR 97 CO 0.07 -0.27 0.14 -0.07 -1.64 0.00 0.00 178.16 176.40 3he3 h LEU 98 N -0.45 0.31 -2.09 2.82 4.07 -1.34 -2.14 115.31 116.49 3he3 h LEU 98 Ca -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3he3 h LEU 98 Cb 0.36 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3he3 h LEU 98 CO 0.06 0.25 0.21 0.28 -1.08 0.00 0.00 178.44 178.16 3he3 h SER 99 N 0.36 0.00 1.46 -0.43 0.02 -0.65 -1.02 113.55 113.28 3he3 h SER 99 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3he3 h SER 99 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3he3 h SER 99 CO -0.02 0.00 -0.06 0.03 -1.14 0.00 0.00 176.83 175.65 3he3 h ARG 100 N 0.00 0.00 -0.04 3.45 3.08 -1.37 -3.27 114.38 116.23 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 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 -2.30 0.06 -3.54 3.04 3.01 -0.40 -5.05 117.46 112.27 3he3 n PHE 101 Ca 0.05 -0.31 -0.08 0.00 1.01 0.00 0.00 57.45 58.12 3he3 n PHE 101 Cb 0.44 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 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 -0.69 0.00 0.54 4.37 -1.32 -1.16 -4.32 115.64 113.06 3he3 s THR 102 Ca 0.04 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.59 3he3 s THR 102 Cb 0.02 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.08 3he3 s THR 102 CO 0.03 0.00 0.74 -1.61 -2.21 0.00 0.00 174.62 171.57 3he3 s GLU 103 N -2.47 2.42 -0.01 7.08 2.02 -1.26 -4.53 118.70 121.95 3he3 s GLU 103 Ca 0.04 -1.41 0.05 0.00 0.02 0.00 0.00 54.97 53.67 3he3 s GLU 103 Cb -0.01 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.57 3he3 s GLU 103 CO -0.06 -0.73 -0.15 -1.58 0.02 0.00 0.00 175.26 172.77 3he3 s TRP 104 N -2.62 1.35 -0.36 1.61 0.52 -1.26 -0.22 118.94 117.96 3he3 s TRP 104 Ca 0.60 -0.26 -0.12 0.00 0.02 0.00 0.00 56.10 56.34 3he3 s TRP 104 Cb -0.07 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.38 3he3 s TRP 104 CO 0.38 -0.03 0.22 0.50 0.02 0.00 0.00 176.95 178.04 3he3 s ARG 105 N -0.34 3.12 0.28 4.98 3.52 0.71 -4.74 118.95 126.48 3he3 s ARG 105 Ca 0.06 -0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 3he3 s ARG 105 Cb -0.06 -3.77 -0.12 0.00 -1.56 0.00 0.00 34.95 29.44 3he3 s ARG 105 CO -0.01 -0.59 1.63 -2.30 -0.81 0.00 0.00 175.30 173.22 3he3 n PRO 106 N 5.06 2.74 -3.65 5.12 -0.02 -1.26 -0.19 135.00 142.79 3he3 n PRO 106 Ca -0.12 0.98 -0.05 0.00 -2.02 0.00 0.00 63.50 62.28 3he3 n PRO 106 Cb 0.48 -2.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.12 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 0.19 -1.12 -0.31 6.00 5.04 -0.85 -4.85 117.35 121.45 3he3 s TYR 107 Ca 0.66 2.12 -0.03 0.00 -2.44 0.00 0.00 57.07 57.38 3he3 s TYR 107 Cb -0.49 0.66 0.05 0.00 0.35 0.00 0.00 41.96 42.53 3he3 s TYR 107 CO 0.46 -0.56 0.03 -0.65 -1.34 0.00 0.00 175.55 173.48 3he3 s GLN 108 N 2.13 2.43 0.25 4.97 -0.21 -1.26 -3.76 119.66 124.22 3he3 s GLN 108 Ca -0.08 -1.29 -0.30 0.00 0.02 0.00 0.00 55.36 53.71 3he3 s GLN 108 Cb -0.08 -3.26 -0.09 0.00 1.00 0.00 0.00 33.01 30.58 3he3 s GLN 108 CO -0.19 -0.66 1.27 -1.58 -2.12 0.00 0.00 175.29 172.01 3he3 s HIS 109 N 1.27 3.25 -0.04 0.91 5.65 -1.26 -4.95 115.29 120.13 3he3 s HIS 109 Ca -0.04 1.37 0.03 0.00 0.25 0.00 0.00 55.06 56.67 3he3 s HIS 109 Cb -0.20 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.64 3he3 s HIS 109 CO -0.01 -1.62 -0.11 1.03 -0.65 0.00 0.00 174.74 173.38 3he3 s ARG 110 N -0.87 1.27 0.07 2.88 0.52 -1.26 -1.43 118.95 120.12 3he3 s ARG 110 Ca 0.52 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.42 3he3 s ARG 110 Cb -0.37 -1.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.94 3he3 s ARG 110 CO 0.43 0.13 -0.22 0.08 0.02 0.00 0.00 175.30 175.74 3he3 s VAL 111 N 0.24 1.76 -0.07 3.52 1.01 -1.26 -3.71 120.40 121.88 3he3 s VAL 111 Ca -0.05 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.60 3he3 s VAL 111 Cb -0.11 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3he3 s VAL 111 CO 0.01 0.13 -0.16 -0.76 0.00 0.00 0.00 175.10 174.33 3he3 s LEU 112 N -1.47 1.77 -0.14 3.92 1.02 -1.00 -2.90 118.68 119.88 3he3 s LEU 112 Ca 0.08 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 53.73 3he3 s LEU 112 Cb -0.09 -0.99 -0.05 0.00 0.02 0.00 0.00 46.19 45.08 3he3 s LEU 112 CO 0.03 0.07 0.28 0.00 0.02 0.00 0.00 176.35 176.75 3he3 s ALA 113 N 0.56 3.63 -0.90 4.21 0.00 0.41 0.06 121.76 129.74 3he3 s ALA 113 Ca -0.16 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.12 3he3 s ALA 113 Cb -0.16 -2.34 0.07 0.00 0.00 0.00 0.00 23.12 20.69 3he3 s ALA 113 CO 0.05 0.18 1.26 0.45 0.00 0.00 0.00 175.76 177.70 3he3 s SER 114 N 0.17 6.44 -0.12 0.00 0.15 0.14 -1.50 113.70 118.97 3he3 s SER 114 Ca 0.17 -1.40 0.01 0.00 0.70 0.00 0.00 55.95 55.43 3he3 s SER 114 Cb -0.13 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.70 3he3 s SER 114 CO 0.04 -1.42 -0.15 -0.69 1.20 0.00 0.00 173.24 172.22 3he3 s VAL 115 N 4.29 1.52 -1.38 4.45 1.01 -0.63 -4.53 120.40 125.13 3he3 s VAL 115 Ca 0.37 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3he3 s VAL 115 Cb -0.05 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3he3 s VAL 115 CO -0.03 0.45 0.88 0.47 0.00 0.00 0.00 175.10 176.86 3he3 n ASP 116 N 4.35 -6.07 -0.38 3.32 8.00 -1.26 -2.14 116.55 122.36 3he3 n ASP 116 Ca -0.18 -0.40 -0.05 0.00 0.71 0.00 0.00 54.79 54.86 3he3 n ASP 116 Cb 0.51 -4.78 -0.02 0.00 -0.02 0.00 0.00 41.12 36.80 3he3 n ASP 116 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3he3 n GLY 117 N -1.73 0.70 3.59 0.44 0.00 -1.26 -5.01 105.19 101.92 3he3 n GLY 117 Ca -0.05 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.90 1.94 -0.38 1.61 -0.21 -0.91 -5.11 119.66 114.69 3he3 s GLN 118 Ca 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 55.36 53.48 3he3 s GLN 118 Cb 0.00 -1.79 0.10 0.00 1.00 0.00 0.00 33.01 32.32 3he3 s GLN 118 CO 0.00 0.12 0.16 -0.51 -2.12 0.00 0.00 175.29 172.94 3he3 s LEU 119 N -3.66 4.98 0.08 2.90 1.43 -1.26 -1.60 118.68 121.55 3he3 s LEU 119 Ca 0.34 -1.90 0.06 0.00 -1.03 0.00 0.00 54.13 51.59 3he3 s LEU 119 Cb 0.02 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3he3 s LEU 119 CO 0.18 -0.48 -0.05 -0.76 0.23 0.00 0.00 176.35 175.46 3he3 s LEU 120 N 1.15 3.24 0.26 1.79 1.02 -0.56 -4.85 118.68 120.72 3he3 s LEU 120 Ca 0.06 -0.26 -0.31 0.00 0.02 0.00 0.00 54.13 53.64 3he3 s LEU 120 Cb -0.22 -1.98 -0.13 0.00 0.02 0.00 0.00 46.19 43.88 3he3 s LEU 120 CO -0.04 0.19 1.45 -2.65 0.02 0.00 0.00 176.35 175.32 3he3 n PRO 121 N 0.77 2.20 -3.89 1.29 -0.02 -1.26 -0.44 135.00 133.65 3he3 n PRO 121 Ca -0.13 0.78 -0.18 0.00 -2.02 0.00 0.00 63.50 61.96 3he3 n PRO 121 Cb 0.52 -2.47 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 3he3 n PRO 121 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3he3 s ILE 122 N -0.09 0.18 0.51 4.25 1.10 -1.14 -4.04 121.20 121.97 3he3 s ILE 122 Ca 0.67 0.12 -0.21 0.00 -0.51 0.00 0.00 60.65 60.72 3he3 s ILE 122 Cb -0.61 -0.30 -0.09 0.00 0.15 0.00 0.00 42.46 41.61 3he3 s ILE 122 CO 0.50 0.16 0.75 -2.65 -2.11 0.00 0.00 174.94 171.60 3he3 n PRO 123 N 4.37 0.83 -1.77 3.50 -0.02 -1.26 -4.35 135.00 136.29 3he3 n PRO 123 Ca -0.22 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.15 3he3 n PRO 123 Cb 0.50 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3he3 n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3he3 s ILE 124 N -1.51 2.39 0.02 4.25 1.01 -1.26 -4.88 121.20 121.22 3he3 s ILE 124 Ca 0.68 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3he3 s ILE 124 Cb -0.50 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 3he3 s ILE 124 CO 0.54 0.01 0.01 -0.46 0.00 0.00 0.00 174.94 175.04 3he3 n ASN 125 N 4.72 0.46 -0.18 3.58 0.23 -1.26 -1.12 115.26 121.69 3he3 n ASN 125 Ca 0.16 -1.09 -0.00 0.00 -0.53 0.00 0.00 54.58 53.12 3he3 n ASN 125 Cb 0.37 0.05 0.09 0.00 -2.08 0.00 0.00 39.78 38.22 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 -0.07 -0.85 -4.53 6.46 -1.37 -0.65 115.31 114.30 3he3 h LEU 126 Ca -0.01 0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 3he3 h LEU 126 Cb 0.05 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 3he3 h LEU 126 CO 0.02 -0.02 -0.16 0.44 -0.62 0.00 0.00 178.44 178.10 3he3 h ASP 127 N 0.21 0.68 -0.45 1.25 3.32 -1.93 0.00 116.42 119.50 3he3 h ASP 127 Ca 0.29 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.16 3he3 h ASP 127 Cb 0.43 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3he3 h ASP 127 CO -0.40 0.85 0.25 0.74 -1.72 0.00 0.00 179.24 178.96 3he3 h THR 128 N 0.62 1.01 0.58 0.35 2.02 -1.47 -0.35 112.91 115.67 3he3 h THR 128 Ca 0.10 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3he3 h THR 128 Cb 0.62 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3he3 h THR 128 CO 0.04 0.09 -0.28 0.58 0.37 0.00 0.00 175.52 176.33 3he3 h VAL 129 N 0.50 0.19 -0.82 3.16 2.07 -0.96 -1.84 116.25 118.56 3he3 h VAL 129 Ca 0.19 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.43 3he3 h VAL 129 Cb 0.05 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.01 3he3 h VAL 129 CO -0.11 0.03 0.43 0.78 0.02 0.00 0.00 177.57 178.72 3he3 h ASN 130 N -1.11 0.56 0.03 0.57 2.35 -0.97 -1.96 115.58 115.05 3he3 h ASN 130 Ca -0.08 0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 3he3 h ASN 130 Cb 0.64 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3he3 h ASN 130 CO 0.13 0.28 -0.74 0.03 -1.65 0.00 0.00 177.43 175.48 3he3 h ARG 131 N 0.67 0.62 -0.62 0.81 3.08 -1.12 0.19 114.38 118.01 3he3 h ARG 131 Ca 0.42 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 3he3 h ARG 131 Cb 0.51 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3he3 h ARG 131 CO -0.31 1.12 0.02 1.25 -1.07 0.00 0.00 179.97 180.97 3he3 h LEU 132 N 0.43 1.05 -1.18 3.04 5.85 -0.83 -3.26 115.31 120.41 3he3 h LEU 132 Ca -0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3he3 h LEU 132 Cb 1.34 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3he3 h LEU 132 CO 0.14 1.09 -0.16 -1.22 -0.34 0.00 0.00 178.44 177.95 3he3 n TYR 133 N -4.18 0.00 -2.96 1.25 4.01 -0.78 -4.98 117.16 109.52 3he3 n TYR 133 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 3he3 n TYR 133 Cb 0.34 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.97 -0.00 3.99 2.72 0.00 0.05 -5.03 105.19 107.89 3he3 n GLY 134 Ca 0.07 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.58 3.52 -0.33 0.99 1.43 0.45 -5.01 118.68 115.16 3he3 s LEU 135 Ca 0.28 -0.17 0.12 0.00 -1.03 0.00 0.00 54.13 53.33 3he3 s LEU 135 Cb -0.12 -2.80 0.46 0.00 0.03 0.00 0.00 46.19 43.76 3he3 s LEU 135 CO 0.34 -0.89 1.10 0.59 0.23 0.00 0.00 176.35 177.72 3he3 n ASN 136 N -2.06 3.45 -4.78 2.29 3.02 -1.26 -4.62 115.26 111.29 3he3 n ASN 136 Ca 0.07 -3.17 -0.36 0.00 -0.03 0.00 0.00 54.58 51.09 3he3 n ASN 136 Cb 0.59 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 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 -3.53 3.98 0.69 3.41 1.43 -1.26 -5.07 118.68 118.34 3he3 s LEU 137 Ca 0.40 2.09 -0.00 0.00 -1.03 0.00 0.00 54.13 55.59 3he3 s LEU 137 Cb 0.40 -4.35 0.11 0.00 0.03 0.00 0.00 46.19 42.38 3he3 s LEU 137 CO -0.04 -0.77 0.96 0.42 0.23 0.00 0.00 176.35 177.15 3he3 s THR 138 N -1.73 2.21 0.28 5.49 -4.23 -1.26 -4.88 115.64 111.51 3he3 s THR 138 Ca 0.64 -0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 3he3 s THR 138 Cb -0.22 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.26 3he3 s THR 138 CO 0.27 0.00 1.94 0.28 -0.54 0.00 0.00 174.62 176.57 3he3 h SER 139 N -0.44 1.02 -0.41 3.99 0.02 -1.98 -1.22 113.55 114.54 3he3 h SER 139 Ca -0.37 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.44 3he3 h SER 139 Cb 1.27 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 3he3 h SER 139 CO 0.42 0.76 -0.14 -0.26 -1.14 0.00 0.00 176.83 176.47 3he3 h PHE 140 N 1.20 0.93 -0.46 3.45 0.04 -1.95 -3.22 116.94 116.92 3he3 h PHE 140 Ca 0.32 -0.21 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 3he3 h PHE 140 Cb -0.10 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 3he3 h PHE 140 CO 0.00 0.96 -0.16 1.96 -0.60 0.00 0.00 178.31 180.47 3he3 h GLN 141 N 0.64 0.93 0.00 1.51 4.20 -1.84 -3.03 115.11 117.51 3he3 h GLN 141 Ca 0.10 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 3he3 h GLN 141 Cb 0.68 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3he3 h GLN 141 CO 0.05 1.04 -0.07 -0.24 -0.67 0.00 0.00 178.83 178.94 3he3 h VAL 142 N 0.77 0.48 -0.42 -0.54 3.04 -1.26 -0.79 116.25 117.53 3he3 h VAL 142 Ca 0.11 -0.33 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 3he3 h VAL 142 Cb 0.72 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 3he3 h VAL 142 CO 0.06 0.07 -0.18 -0.08 -1.01 0.00 0.00 177.57 176.43 3he3 h GLU 143 N 0.00 0.86 -0.29 4.17 4.81 -1.54 -2.35 114.58 120.22 3he3 h GLU 143 Ca -0.00 -0.36 -0.16 0.00 -0.13 0.00 0.00 59.36 58.70 3he3 h GLU 143 Cb 0.22 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3he3 h GLU 143 CO 0.01 1.00 -0.47 0.93 -0.73 0.00 0.00 179.01 179.75 3he3 h GLU 144 N 0.68 0.79 -0.84 1.92 5.08 -1.25 -2.59 114.58 118.37 3he3 h GLU 144 Ca 0.10 -0.46 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 3he3 h GLU 144 Cb 0.73 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 3he3 h GLU 144 CO 0.06 1.09 0.50 0.35 -1.00 0.00 0.00 179.01 180.00 3he3 h PHE 145 N 0.63 0.92 -0.63 4.33 3.57 -1.18 -1.37 116.94 123.20 3he3 h PHE 145 Ca 0.03 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3he3 h PHE 145 Cb 1.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3he3 h PHE 145 CO 0.06 0.42 0.10 0.74 -2.23 0.00 0.00 178.31 177.40 3he3 h PHE 146 N 0.88 1.11 -0.42 0.41 0.04 -1.30 -2.79 116.94 114.87 3he3 h PHE 146 Ca 0.39 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 3he3 h PHE 146 Cb 0.27 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3he3 h PHE 146 CO -0.05 0.95 0.24 0.00 -0.60 0.00 0.00 178.31 178.85 3he3 h ALA 147 N 1.03 1.63 -0.00 2.45 0.00 -0.91 0.18 119.26 123.64 3he3 h ALA 147 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3he3 h ALA 147 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3he3 h ALA 147 CO 0.01 0.32 -0.11 -1.13 0.00 0.00 0.00 179.25 178.34 3he3 n SER 148 N -4.44 0.22 -0.00 0.00 3.41 -0.61 -3.61 113.62 108.59 3he3 n SER 148 Ca 0.03 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3he3 n SER 148 Cb 0.09 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 3he3 n SER 148 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3he3 n VAL 149 N -1.28 0.00 -1.90 -3.33 0.24 -0.93 -5.02 118.33 106.10 3he3 n VAL 149 Ca 0.11 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 3he3 n VAL 149 Cb 0.30 0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 33.26 3he3 n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3he3 s ALA 150 N -1.80 3.73 0.48 2.33 0.00 0.58 -4.00 121.76 123.08 3he3 s ALA 150 Ca -0.00 1.30 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 3he3 s ALA 150 Cb 0.01 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 3he3 s ALA 150 CO 0.04 -1.01 1.01 -1.21 0.00 0.00 0.00 175.76 174.59 3he3 s GLU 151 N 2.13 3.92 -0.05 0.00 2.02 -0.92 -4.92 118.70 120.88 3he3 s GLU 151 Ca 0.74 1.24 -0.15 0.00 0.02 0.00 0.00 54.97 56.82 3he3 s GLU 151 Cb -0.42 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 3he3 s GLU 151 CO 0.32 -0.31 0.40 0.21 0.02 0.00 0.00 175.26 175.91 3he3 s LYS 152 N -3.32 4.05 -0.07 1.61 2.36 -1.26 -4.19 119.74 118.93 3he3 s LYS 152 Ca 0.65 0.36 0.00 0.00 -2.55 0.00 0.00 55.97 54.43 3he3 s LYS 152 Cb -0.13 -3.30 0.02 0.00 -1.05 0.00 0.00 37.83 33.37 3he3 s LYS 152 CO 0.19 0.50 -0.04 0.08 1.55 0.00 0.00 175.35 177.63 3he3 s VAL 153 N -0.46 0.64 0.14 4.02 1.01 -1.26 -5.03 120.40 119.46 3he3 s VAL 153 Ca 0.23 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 3he3 s VAL 153 Cb -0.16 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.54 3he3 s VAL 153 CO 0.11 0.28 1.70 -0.08 0.00 0.00 0.00 175.10 177.10 3he3 h GLU 154 N 7.70 0.63 -3.71 2.72 4.57 -2.03 -3.41 114.58 121.04 3he3 h GLU 154 Ca -0.30 -0.11 -0.51 0.00 -1.18 0.00 0.00 59.36 57.26 3he3 h GLU 154 Cb 1.14 -0.10 -0.39 0.00 -0.16 0.00 0.00 28.75 29.24 3he3 h GLU 154 CO 0.39 0.57 -0.77 -0.65 -1.18 0.00 0.00 179.01 177.38 3he3 s GLN 155 N -5.59 0.81 -0.40 1.92 -0.21 -1.26 -5.10 119.66 109.83 3he3 s GLN 155 Ca -0.13 -0.33 -0.29 0.00 0.02 0.00 0.00 55.36 54.64 3he3 s GLN 155 Cb 0.10 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.28 3he3 s GLN 155 CO 0.76 -0.52 1.51 0.08 -2.12 0.00 0.00 175.29 174.99 3he3 s VAL 156 N 1.83 3.79 0.00 1.09 1.01 -1.26 -4.78 120.40 122.08 3he3 s VAL 156 Ca 0.01 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 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 -0.07 -0.69 0.00 0.54 0.00 0.00 0.00 175.10 174.88 3he3 n ARG 157 N 8.19 0.00 -3.32 2.72 1.74 -1.26 -4.94 116.66 119.79 3he3 n ARG 157 Ca 0.18 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.08 3he3 n ARG 157 Cb 0.48 -0.88 -0.00 0.00 -1.02 0.00 0.00 32.46 31.04 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 -1.83 3.51 0.46 0.55 -4.23 -1.26 -0.44 115.64 112.40 3he3 s THR 158 Ca 0.00 -1.05 0.23 0.00 -1.18 0.00 0.00 61.69 59.68 3he3 s THR 158 Cb 0.00 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 70.90 3he3 s THR 158 CO 0.00 -0.09 2.08 0.28 -0.54 0.00 0.00 174.62 176.35 3he3 h SER 159 N 0.83 0.00 -0.26 3.99 0.02 -0.28 -1.69 113.55 116.15 3he3 h SER 159 Ca -0.43 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3he3 h SER 159 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3he3 h SER 159 CO 0.50 0.12 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.23 3he3 h GLU 160 N 0.00 0.47 -0.21 3.45 4.81 -1.50 -3.24 114.58 118.36 3he3 h GLU 160 Ca -0.00 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3he3 h GLU 160 Cb 0.26 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3he3 h GLU 160 CO 0.02 0.64 0.11 -0.44 -0.73 0.00 0.00 179.01 178.61 3he3 h ASP 161 N 0.24 0.17 -0.83 1.04 3.32 -1.61 -0.49 116.42 118.26 3he3 h ASP 161 Ca 0.07 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3he3 h ASP 161 Cb 0.43 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3he3 h ASP 161 CO 0.02 0.13 0.54 -0.37 -1.72 0.00 0.00 179.24 177.84 3he3 h VAL 162 N 0.23 1.17 0.10 -1.35 -1.51 -1.59 -1.69 116.25 111.63 3he3 h VAL 162 Ca 0.09 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 3he3 h VAL 162 Cb 0.02 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.17 3he3 h VAL 162 CO -0.06 0.20 -0.05 0.58 -1.23 0.00 0.00 177.57 177.01 3he3 h VAL 163 N 1.09 0.00 -0.99 7.19 2.07 -1.54 -3.32 116.25 120.75 3he3 h VAL 163 Ca 0.32 -0.65 0.28 0.00 0.82 0.00 0.00 66.70 67.47 3he3 h VAL 163 Cb -0.06 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.66 3he3 h VAL 163 CO -0.09 0.00 0.71 0.58 0.02 0.00 0.00 177.57 178.79 3he3 h VAL 164 N -0.79 0.51 0.00 2.57 2.07 -1.15 -0.00 116.25 119.47 3he3 h VAL 164 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3he3 h VAL 164 Cb 0.11 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3he3 h VAL 164 CO 0.02 0.01 -0.18 -1.54 0.02 0.00 0.00 177.57 175.90 3he3 n SER 165 N -4.27 0.22 -0.07 0.57 3.41 -0.63 -2.16 113.62 110.69 3he3 n SER 165 Ca 0.21 0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.96 3he3 n SER 165 Cb 1.03 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.68 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 -1.55 0.33 0.00 4.33 4.01 -0.10 -4.52 118.16 120.66 3he3 n LYS 166 Ca 0.06 0.09 0.02 0.00 -0.51 0.00 0.00 58.31 57.97 3he3 n LYS 166 Cb 0.35 -1.22 -0.00 0.00 -0.51 0.00 0.00 35.03 33.64 3he3 n LYS 166 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3he3 n VAL 167 N -3.01 0.00 -0.01 -0.18 0.24 -0.68 -4.56 118.33 110.12 3he3 n VAL 167 Ca -0.24 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 3he3 n VAL 167 Cb 0.74 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 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 0.67 -4.03 0.07 7.63 0.00 -1.03 -4.48 105.19 104.01 3he3 n GLY 168 Ca 0.02 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 0.01 0.25 1.61 9.65 -1.79 -3.16 114.38 120.95 3he3 h ARG 169 Ca 0.00 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3he3 h ARG 169 Cb 0.00 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3he3 h ARG 169 CO 0.00 0.89 -0.12 0.22 2.80 0.00 0.00 179.97 183.76 3he3 h ASP 170 N 0.00 -0.28 -0.95 -3.80 -0.00 -1.93 -1.66 116.42 107.79 3he3 h ASP 170 Ca -0.08 -0.19 0.13 0.00 -0.00 0.00 0.00 57.03 56.88 3he3 h ASP 170 Cb 1.84 0.07 -0.08 0.00 -0.00 0.00 0.00 39.33 41.16 3he3 h ASP 170 CO 0.12 0.22 0.61 -0.07 -0.00 0.00 0.00 179.24 180.12 3he3 h LEU 171 N -0.98 0.82 -0.08 2.28 3.38 -1.79 0.63 115.31 119.57 3he3 h LEU 171 Ca -0.03 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3he3 h LEU 171 Cb 0.45 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3he3 h LEU 171 CO 0.06 0.43 -0.05 0.22 0.09 0.00 0.00 178.44 179.19 3he3 h TYR 172 N 0.88 -0.12 -0.86 1.13 3.20 -1.57 -0.65 116.97 118.98 3he3 h TYR 172 Ca 0.47 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.35 3he3 h TYR 172 Cb 0.57 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 3he3 h TYR 172 CO -0.00 -0.08 0.52 -0.91 -1.64 0.00 0.00 178.16 176.05 3he3 h ASN 173 N -0.05 1.03 0.40 -2.11 2.35 -0.14 -0.27 115.58 116.79 3he3 h ASN 173 Ca 0.05 -0.06 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 3he3 h ASN 173 Cb 0.12 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3he3 h ASN 173 CO -0.11 0.78 -1.01 0.11 -1.65 0.00 0.00 177.43 175.56 3he3 h LYS 174 N 1.18 0.38 0.00 0.81 1.57 -0.55 -3.36 116.57 116.61 3he3 h LYS 174 Ca 0.31 -0.45 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 3he3 h LYS 174 Cb -0.06 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3he3 h LYS 174 CO -0.06 1.13 -1.60 1.19 -0.57 0.00 0.00 179.45 179.54 3he3 n PHE 175 N -3.70 0.00 -0.02 -1.35 3.01 -0.29 -4.78 117.46 110.33 3he3 n PHE 175 Ca -0.07 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.34 3he3 n PHE 175 Cb 0.87 -0.40 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 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 -2.20 0.00 0.19 1.38 3.72 -0.35 -4.58 117.46 115.63 3he3 n PHE 176 Ca -0.11 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.12 3he3 n PHE 176 Cb 0.64 -0.16 -0.10 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.17 -0.83 -0.24 -1.08 2.43 -1.27 0.12 114.38 113.35 3he3 h ARG 177 Ca -0.11 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3he3 h ARG 177 Cb 1.05 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 3he3 h ARG 177 CO -0.07 -0.55 -0.03 0.78 -1.51 0.00 0.00 179.97 178.59 3he3 h GLY 178 N -0.86 0.20 0.67 2.80 0.00 -1.76 -1.73 103.07 102.39 3he3 h GLY 178 Ca -0.03 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.39 3he3 h GLY 178 CO -0.18 -0.07 0.01 -1.82 0.00 0.00 0.00 176.54 174.47 3he3 h TYR 179 N 0.03 -0.00 -0.37 5.60 3.20 -1.14 -2.22 116.97 122.08 3he3 h TYR 179 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3he3 h TYR 179 Cb 0.16 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3he3 h TYR 179 CO -0.22 -0.03 0.14 1.15 -1.64 0.00 0.00 178.16 177.56 3he3 h THR 180 N 0.08 1.19 -0.90 1.81 2.02 -0.50 -0.63 112.91 115.98 3he3 h THR 180 Ca 0.11 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3he3 h THR 180 Cb 0.13 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3he3 h THR 180 CO -0.17 0.21 0.60 0.03 0.37 0.00 0.00 175.52 176.56 3he3 h ARG 181 N 0.45 1.16 -0.05 6.66 3.08 -1.22 0.73 114.38 125.20 3he3 h ARG 181 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3he3 h ARG 181 Cb 0.20 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3he3 h ARG 181 CO -0.01 0.77 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.43 3he3 h LYS 182 N 1.20 0.09 -0.29 0.04 3.64 -1.05 -1.70 116.57 118.50 3he3 h LYS 182 Ca 0.34 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3he3 h LYS 182 Cb -0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3he3 h LYS 182 CO -0.08 0.43 -0.05 0.37 -2.27 0.00 0.00 179.45 177.85 3he3 h GLN 183 N -0.25 0.55 0.00 1.90 5.75 -0.79 -3.36 115.11 118.91 3he3 h GLN 183 Ca 0.01 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.23 3he3 h GLN 183 Cb 0.39 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3he3 h GLN 183 CO 0.00 0.73 -1.98 0.91 -2.65 0.00 0.00 178.83 175.85 3he3 n TRP 184 N -4.52 0.00 -1.01 3.99 7.02 0.22 -4.84 117.44 118.30 3he3 n TRP 184 Ca -0.03 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3he3 n TRP 184 Cb 0.30 -0.56 -0.00 0.00 -2.42 0.00 0.00 31.31 28.63 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 1.53 0.47 3.14 6.99 0.00 -0.64 -5.02 105.19 111.66 3he3 n GLY 185 Ca -0.10 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.08 2.39 0.39 0.99 1.02 -1.25 -5.05 118.68 117.09 3he3 s LEU 186 Ca 0.00 -0.79 -0.24 0.00 0.02 0.00 0.00 54.13 53.12 3he3 s LEU 186 Cb 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 46.19 45.91 3he3 s LEU 186 CO 0.00 -0.30 1.01 -0.62 0.02 0.00 0.00 176.35 176.46 3he3 s ASP 187 N -2.36 6.90 0.51 2.29 2.15 -1.26 -3.39 116.67 121.51 3he3 s ASP 187 Ca 0.03 1.93 0.22 0.00 0.43 0.00 0.00 52.55 55.16 3he3 s ASP 187 Cb -0.03 -2.58 1.21 0.00 -0.30 0.00 0.00 42.92 41.22 3he3 s ASP 187 CO -0.01 -0.39 1.64 -0.65 -0.17 0.00 0.00 175.17 175.59 3he3 h PRO 188 N 2.51 0.00 -0.00 4.34 0.11 -1.92 0.57 132.00 137.62 3he3 h PRO 188 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3he3 h PRO 188 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3he3 h PRO 188 CO 0.63 0.00 -0.20 -1.13 -0.21 0.00 0.00 178.00 177.08 3he3 n SER 189 N -2.51 0.28 -1.12 -2.05 3.41 -1.26 -0.70 113.62 109.67 3he3 n SER 189 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.72 3he3 n SER 189 Cb 0.35 -0.14 0.19 0.00 -0.26 0.00 0.00 64.21 64.35 3he3 n SER 189 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3he3 n GLU 190 N -1.38 2.47 -4.46 4.33 1.02 0.20 -4.84 120.64 117.97 3he3 n GLU 190 Ca 0.08 -2.22 -0.24 0.00 -0.02 0.00 0.00 57.16 54.76 3he3 n GLU 190 Cb 0.32 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.59 2.60 0.51 -4.62 1.43 -1.21 -4.77 118.68 111.03 3he3 s LEU 191 Ca 0.36 -1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 3he3 s LEU 191 Cb 0.22 -1.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.24 3he3 s LEU 191 CO 0.31 0.04 1.08 -0.62 0.23 0.00 0.00 176.35 177.40 3he3 s ASP 192 N -3.47 6.08 0.65 2.29 2.15 0.03 -2.01 116.67 122.40 3he3 s ASP 192 Ca 0.30 2.05 0.41 0.00 0.43 0.00 0.00 52.55 55.74 3he3 s ASP 192 Cb -0.05 -2.57 2.25 0.00 -0.30 0.00 0.00 42.92 42.25 3he3 s ASP 192 CO 0.15 -0.97 2.27 0.00 -0.17 0.00 0.00 175.17 176.45 3he3 h ALA 193 N 1.44 1.06 0.00 3.66 0.00 -0.89 -2.31 119.26 122.21 3he3 h ALA 193 Ca -0.50 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3he3 h ALA 193 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3he3 h ALA 193 CO 0.58 -0.06 -0.04 0.66 0.00 0.00 0.00 179.25 180.39 3he3 h SER 194 N 0.00 0.00 0.31 0.00 4.64 -1.90 -2.16 113.55 114.45 3he3 h SER 194 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3he3 h SER 194 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3he3 h SER 194 CO 0.00 0.04 -0.15 0.58 -0.87 0.00 0.00 176.83 176.43 3he3 h VAL 195 N 0.00 0.00 0.00 0.95 2.07 -1.78 -3.25 116.25 114.24 3he3 h VAL 195 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 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 0.01 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.95 3he3 n THR 196 N -3.80 0.59 0.52 2.57 -2.24 -1.24 -2.40 114.28 108.27 3he3 n THR 196 Ca -0.05 0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3he3 n THR 196 Cb 0.16 -0.80 0.42 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.62 1.78 0.24 6.98 0.00 -0.81 -2.35 120.51 124.74 3he3 n ALA 197 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3he3 n ALA 197 Cb 0.29 -1.34 0.62 0.00 0.00 0.00 0.00 19.45 19.02 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 0.00 -2.39 0.00 3.08 -1.51 -3.30 114.38 110.26 3he3 h ARG 198 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3he3 h ARG 198 Cb 0.37 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.04 3he3 h ARG 198 CO 0.00 0.17 -0.15 0.28 -1.07 0.00 0.00 179.97 179.20 3he3 n VAL 199 N -3.81 3.43 -2.04 2.04 0.31 -0.99 -5.07 118.33 112.19 3he3 n VAL 199 Ca -0.02 -5.50 -0.39 0.00 -0.01 0.00 0.00 64.34 58.42 3he3 n VAL 199 Cb 0.27 -1.98 -0.00 0.00 -0.91 0.00 0.00 33.84 31.21 3he3 n VAL 199 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3he3 s PRO 200 N -2.79 3.95 0.50 5.55 0.02 -1.25 -4.84 135.00 136.15 3he3 s PRO 200 Ca 0.39 2.17 -0.16 0.00 0.02 0.00 0.00 61.00 63.42 3he3 s PRO 200 Cb 0.14 -2.75 -0.08 0.00 0.02 0.00 0.00 34.50 31.83 3he3 s PRO 200 CO 0.00 -0.51 0.95 0.99 -0.33 0.00 0.00 177.00 178.11 3he3 s THR 201 N -1.26 4.57 0.10 0.99 2.01 -1.26 -4.66 115.64 116.13 3he3 s THR 201 Ca 0.57 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.76 3he3 s THR 201 Cb -0.38 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 3he3 s THR 201 CO 0.49 -0.67 -0.17 -0.13 -0.69 0.00 0.00 174.62 173.45 3he3 s ARG 202 N -4.05 1.00 0.00 4.92 0.52 -0.28 -5.02 118.95 116.05 3he3 s ARG 202 Ca 0.58 -1.11 0.22 0.00 -0.52 0.00 0.00 55.73 54.89 3he3 s ARG 202 Cb -0.10 -1.09 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 3he3 s ARG 202 CO 0.32 0.24 1.06 0.25 0.02 0.00 0.00 175.30 177.18 3he3 n THR 203 N 1.02 0.00 -1.95 0.02 -2.24 -1.26 -4.07 114.28 105.80 3he3 n THR 203 Ca -0.19 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3he3 n THR 203 Cb 0.55 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 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 -0.02 0.00 -0.40 3.42 0.23 -1.26 -4.45 115.26 112.78 3he3 n ASN 204 Ca 0.09 -0.23 0.07 0.00 -0.53 0.00 0.00 54.58 53.97 3he3 n ASN 204 Cb 0.45 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.23 2.45 -1.81 -3.83 1.74 -1.26 -1.38 116.66 112.33 3he3 n ARG 205 Ca 0.00 -2.31 -0.42 0.00 -0.77 0.00 0.00 57.85 54.35 3he3 n ARG 205 Cb 0.00 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.82 6.47 0.00 0.55 -1.08 -1.26 -4.91 116.67 114.62 3he3 s ASP 206 Ca 0.26 2.75 0.06 0.00 -0.52 0.00 0.00 52.55 55.10 3he3 s ASP 206 Cb 0.20 -2.59 0.15 0.00 -1.46 0.00 0.00 42.92 39.22 3he3 s ASP 206 CO 0.07 -0.92 1.07 -0.46 0.52 0.00 0.00 175.17 175.44 3he3 n ASN 207 N 4.31 2.36 -4.84 -0.34 6.94 -1.26 -4.85 115.26 117.59 3he3 n ASN 207 Ca 0.15 -1.88 -0.32 0.00 -0.02 0.00 0.00 54.58 52.51 3he3 n ASN 207 Cb 0.37 -0.11 -0.03 0.00 -2.36 0.00 0.00 39.78 37.65 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 -0.92 3.90 0.24 -3.83 3.00 -1.26 -4.33 118.95 115.74 3he3 s ARG 208 Ca 0.12 1.00 0.10 0.00 0.00 0.00 0.00 55.73 56.95 3he3 s ARG 208 Cb 0.06 -2.13 0.22 0.00 0.00 0.00 0.00 34.95 33.11 3he3 s ARG 208 CO 0.09 -0.32 1.53 -0.92 0.00 0.00 0.00 175.30 175.68 3he3 h TYR 209 N 0.93 0.00 -4.00 -0.53 3.20 -1.52 -3.42 116.97 111.64 3he3 h TYR 209 Ca -0.47 0.00 -0.60 0.00 3.14 0.00 0.00 58.73 60.80 3he3 h TYR 209 Cb 1.19 0.00 -0.23 0.00 1.54 0.00 0.00 36.73 39.23 3he3 h TYR 209 CO 0.63 0.70 -0.84 -0.06 -1.64 0.00 0.00 178.16 176.95 3he3 s PHE 210 N -3.35 1.93 -1.46 -3.82 0.40 -1.26 -4.86 117.98 105.57 3he3 s PHE 210 Ca -0.00 -0.40 0.17 0.00 -0.60 0.00 0.00 56.93 56.09 3he3 s PHE 210 Cb 0.12 -1.08 0.47 0.00 0.51 0.00 0.00 43.02 43.04 3he3 s PHE 210 CO 0.77 0.21 1.39 0.00 0.70 0.00 0.00 175.22 178.29 3he3 n ALA 211 N 1.25 2.28 -1.58 5.36 0.00 -1.26 -4.96 120.51 121.60 3he3 n ALA 211 Ca -0.19 -1.22 -0.40 0.00 0.00 0.00 0.00 53.44 51.64 3he3 n ALA 211 Cb 0.53 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 1.08 0.65 -0.29 0.00 10.43 -1.26 -4.92 116.55 122.25 3he3 n ASP 212 Ca 0.18 0.93 -0.06 0.00 2.57 0.00 0.00 54.79 58.42 3he3 n ASP 212 Cb 0.52 -1.31 0.06 0.00 1.84 0.00 0.00 41.12 42.23 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 1.07 1.26 -3.45 -3.53 2.02 -1.88 -3.41 112.91 104.99 3he3 h THR 213 Ca -0.45 -0.79 -0.67 0.00 0.77 0.00 0.00 66.41 65.27 3he3 h THR 213 Cb 1.36 0.30 -0.30 0.00 -1.74 0.00 0.00 68.15 67.77 3he3 h THR 213 CO 0.54 0.33 -0.73 -0.31 0.37 0.00 0.00 175.52 175.72 3he3 s TYR 214 N -5.59 3.02 -0.15 3.16 1.51 -0.56 -5.03 117.35 113.71 3he3 s TYR 214 Ca -0.12 -1.25 -0.03 0.00 -1.01 0.00 0.00 57.07 54.66 3he3 s TYR 214 Cb 0.16 -2.09 0.05 0.00 -0.11 0.00 0.00 41.96 39.96 3he3 s TYR 214 CO 0.83 -0.65 0.04 -0.65 -1.11 0.00 0.00 175.55 174.02 3he3 s GLN 215 N 1.40 0.46 -0.06 -0.62 -0.21 -1.26 -1.74 119.66 117.64 3he3 s GLN 215 Ca 0.03 -0.15 -0.29 0.00 0.02 0.00 0.00 55.36 54.96 3he3 s GLN 215 Cb -0.16 -1.64 0.10 0.00 1.00 0.00 0.00 33.01 32.32 3he3 s GLN 215 CO -0.04 -0.54 0.87 0.00 -2.12 0.00 0.00 175.29 173.47 3he3 s ALA 216 N 1.97 -1.84 0.04 6.09 0.00 -1.19 -2.00 121.76 124.83 3he3 s ALA 216 Ca 0.02 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3he3 s ALA 216 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3he3 s ALA 216 CO -0.07 -0.51 0.07 -1.64 0.00 0.00 0.00 175.76 173.61 3he3 s MET 217 N -2.14 2.95 -0.10 0.00 -1.94 0.73 -4.16 119.30 114.64 3he3 s MET 217 Ca -0.00 -0.59 -0.33 0.00 -1.71 0.00 0.00 55.69 53.05 3he3 s MET 217 Cb -0.01 -2.78 -0.11 0.00 2.01 0.00 0.00 34.83 33.95 3he3 s MET 217 CO -0.03 0.61 1.95 -2.30 -0.01 0.00 0.00 175.02 175.24 3he3 n PRO 218 N 0.86 2.21 -0.31 2.03 -0.02 -1.26 -0.20 135.00 138.31 3he3 n PRO 218 Ca -0.11 0.79 0.17 0.00 -2.02 0.00 0.00 63.50 62.33 3he3 n PRO 218 Cb 0.52 -2.75 0.36 0.00 -0.02 0.00 0.00 33.50 31.61 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 10.18 0.04 -3.01 2.45 5.85 -0.89 0.20 115.31 130.13 3he3 h LEU 219 Ca -0.47 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3he3 h LEU 219 Cb 1.27 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3he3 h LEU 219 CO 0.95 -0.22 0.00 1.41 -0.34 0.00 0.00 178.44 180.24 3he3 n HIS 220 N -5.25 0.54 0.00 1.25 8.25 -1.26 -4.90 115.22 113.85 3he3 n HIS 220 Ca 0.25 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 3he3 n HIS 220 Cb 0.82 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 0.02 2.32 0.30 -1.41 0.00 0.06 -4.52 105.19 101.95 3he3 n GLY 221 Ca 0.14 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 1.14 -0.67 1.61 -1.99 -1.82 -3.04 116.97 112.20 3he3 h TYR 222 Ca 0.00 -0.21 0.01 0.00 2.00 0.00 0.00 58.73 60.53 3he3 h TYR 222 Cb 0.00 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.40 3he3 h TYR 222 CO 0.00 1.02 0.44 1.15 -0.00 0.00 0.00 178.16 180.78 3he3 h THR 223 N 0.93 1.17 -0.72 -2.88 2.02 -1.82 0.13 112.91 111.73 3he3 h THR 223 Ca 0.16 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.06 3he3 h THR 223 Cb 0.59 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3he3 h THR 223 CO 0.04 0.17 0.45 0.03 0.37 0.00 0.00 175.52 176.58 3he3 h ARG 224 N 0.90 0.86 -0.19 6.66 2.47 -1.78 0.07 114.38 123.37 3he3 h ARG 224 Ca 0.25 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3he3 h ARG 224 Cb -0.10 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.02 3he3 h ARG 224 CO -0.06 0.57 0.12 1.98 0.56 0.00 0.00 179.97 183.15 3he3 h MET 225 N 0.89 0.26 -0.53 0.04 4.05 -1.14 -2.63 114.93 115.87 3he3 h MET 225 Ca 0.29 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.65 3he3 h MET 225 Cb 0.01 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 3he3 h MET 225 CO -0.11 0.19 0.15 0.74 0.23 0.00 0.00 176.91 178.12 3he3 h PHE 226 N 0.25 0.80 -0.79 1.39 -1.00 -0.37 -2.13 116.94 115.09 3he3 h PHE 226 Ca 0.07 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 3he3 h PHE 226 Cb -0.00 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 3he3 h PHE 226 CO -0.06 0.66 0.32 1.96 -1.61 0.00 0.00 178.31 179.58 3he3 h GLN 227 N 0.77 1.18 -0.82 1.51 4.20 -0.81 -1.09 115.11 120.03 3he3 h GLN 227 Ca 0.17 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3he3 h GLN 227 Cb 0.24 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 3he3 h GLN 227 CO -0.01 0.95 0.38 -0.91 -0.67 0.00 0.00 178.83 178.58 3he3 h ASN 228 N 1.15 1.09 -0.50 1.46 2.35 -1.09 -2.75 115.58 117.29 3he3 h ASN 228 Ca 0.26 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3he3 h ASN 228 Cb 0.21 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3he3 h ASN 228 CO -0.02 0.93 0.18 0.24 -1.65 0.00 0.00 177.43 177.11 3he3 h MET 229 N 1.18 0.81 -0.64 0.81 2.86 -0.73 -2.97 114.93 116.24 3he3 h MET 229 Ca 0.28 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3he3 h MET 229 Cb 0.14 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3he3 h MET 229 CO -0.03 0.70 0.00 1.28 1.06 0.00 0.00 176.91 179.91 3he3 n LEU 230 N -4.31 4.65 0.01 1.22 4.77 -0.48 -4.36 117.00 118.51 3he3 n LEU 230 Ca 0.04 -2.35 0.13 0.00 -0.03 0.00 0.00 56.01 53.80 3he3 n LEU 230 Cb 0.19 -0.59 0.35 0.00 -2.33 0.00 0.00 43.42 41.04 3he3 n LEU 230 CO 0.39 0.68 0.60 -1.54 -1.33 0.00 0.00 177.39 176.19 3he3 n SER 231 N 0.84 0.40 -4.74 -1.43 3.41 -1.05 -4.80 113.62 106.25 3he3 n SER 231 Ca 0.24 0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.50 3he3 n SER 231 Cb 0.92 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.87 3he3 n SER 231 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3he3 n SER 232 N -1.62 2.93 0.31 4.04 2.88 -1.26 -4.89 113.62 116.01 3he3 n SER 232 Ca 0.06 1.08 0.20 0.00 -1.33 0.00 0.00 58.87 58.87 3he3 n SER 232 Cb 0.36 -1.57 1.03 0.00 -0.75 0.00 0.00 64.21 63.28 3he3 n SER 232 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3he3 h PRO 233 N 1.99 0.00 -0.00 -1.46 0.11 -1.96 -2.01 132.00 128.67 3he3 h PRO 233 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3he3 h PRO 233 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3he3 h PRO 233 CO 0.59 0.02 -0.04 0.09 -0.21 0.00 0.00 178.00 178.45 3he3 n ASN 234 N -3.26 0.19 -4.41 -2.05 3.02 -1.26 -4.76 115.26 102.73 3he3 n ASN 234 Ca -0.02 -0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 53.70 3he3 n ASN 234 Cb 0.13 -0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.42 4.00 -0.18 2.41 1.01 -0.76 -0.19 121.20 125.07 3he3 s ILE 235 Ca 0.32 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.63 3he3 s ILE 235 Cb 0.21 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 3he3 s ILE 235 CO 0.45 0.38 0.03 -0.54 0.00 0.00 0.00 174.94 175.26 3he3 s LYS 236 N 1.45 3.88 -0.18 2.79 -0.14 0.17 -4.87 119.74 122.83 3he3 s LYS 236 Ca 0.05 -0.40 -0.05 0.00 -1.36 0.00 0.00 55.97 54.21 3he3 s LYS 236 Cb -0.15 -3.13 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 3he3 s LYS 236 CO 0.01 0.26 -0.00 0.08 -0.76 0.00 0.00 175.35 174.94 3he3 s VAL 237 N 0.39 4.08 -0.09 3.17 1.01 -1.26 -0.66 120.40 127.04 3he3 s VAL 237 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3he3 s VAL 237 Cb -0.13 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3he3 s VAL 237 CO 0.01 0.45 -0.20 -0.32 0.00 0.00 0.00 175.10 175.04 3he3 s MET 238 N 0.68 2.57 0.33 2.72 1.75 0.03 -4.99 119.30 122.38 3he3 s MET 238 Ca -0.00 -0.73 0.07 0.00 -1.25 0.00 0.00 55.69 53.78 3he3 s MET 238 Cb -0.14 -2.00 -0.06 0.00 2.84 0.00 0.00 34.83 35.47 3he3 s MET 238 CO 0.02 0.14 -0.04 -0.51 -0.65 0.00 0.00 175.02 173.99 3he3 s LEU 239 N 0.40 2.58 -1.58 4.11 1.43 -1.26 -1.22 118.68 123.14 3he3 s LEU 239 Ca -0.16 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 51.67 3he3 s LEU 239 Cb -0.17 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3he3 s LEU 239 CO 0.07 -0.37 0.09 -3.20 0.23 0.00 0.00 176.35 173.17 3he3 n ASN 240 N -0.73 -5.42 -3.83 2.29 5.15 -0.09 -4.90 115.26 107.73 3he3 n ASN 240 Ca -0.05 -0.01 -0.22 0.00 -0.60 0.00 0.00 54.58 53.70 3he3 n ASN 240 Cb 0.65 -4.51 -0.17 0.00 -0.53 0.00 0.00 39.78 35.22 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 -2.96 0.50 -0.07 -0.44 2.01 -0.63 -4.92 115.64 109.13 3he3 s THR 241 Ca 0.05 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 3he3 s THR 241 Cb -0.02 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.87 3he3 s THR 241 CO 0.06 0.26 0.83 -0.62 -0.69 0.00 0.00 174.62 174.45 3he3 s ASP 242 N 1.53 7.11 0.50 3.53 -1.08 -1.26 -2.09 116.67 124.90 3he3 s ASP 242 Ca -0.01 1.34 0.24 0.00 -0.52 0.00 0.00 52.55 53.61 3he3 s ASP 242 Cb -0.13 -2.48 1.32 0.00 -1.46 0.00 0.00 42.92 40.17 3he3 s ASP 242 CO -0.03 -0.24 1.93 0.10 0.52 0.00 0.00 175.17 177.45 3he3 h TYR 243 N 6.91 0.15 0.00 -5.34 -0.00 -1.94 0.37 116.97 117.12 3he3 h TYR 243 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.35 3he3 h TYR 243 Cb 1.19 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 3he3 h TYR 243 CO 0.68 0.05 -0.03 0.00 -0.00 0.00 0.00 178.16 178.85 3he3 h ARG 244 N 0.12 0.00 0.00 0.10 3.08 -2.00 -0.97 114.38 114.72 3he3 h ARG 244 Ca 0.35 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 3he3 h ARG 244 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3he3 h ARG 244 CO -0.05 0.03 -0.22 0.93 -1.07 0.00 0.00 179.97 179.60 3he3 h GLU 245 N 0.00 0.00 0.00 0.04 5.08 -0.66 -3.35 114.58 115.69 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 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3he3 h GLU 245 CO 0.00 0.22 -0.00 0.44 -1.00 0.00 0.00 179.01 178.67 3he3 n ILE 246 N -3.22 0.00 0.27 3.13 -5.35 -0.89 -4.73 119.36 108.57 3he3 n ILE 246 Ca 0.02 -0.47 0.15 0.00 -0.27 0.00 0.00 62.75 62.18 3he3 n ILE 246 Cb 0.54 1.00 0.76 0.00 -1.74 0.00 0.00 39.64 40.20 3he3 n ILE 246 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3he3 h ALA 247 N 0.00 1.00 0.02 -1.28 0.00 -1.33 -2.61 119.26 115.06 3he3 h ALA 247 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3he3 h ALA 247 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3he3 h ALA 247 CO 0.00 0.00 -0.96 -0.44 0.00 0.00 0.00 179.25 177.85 3he3 h ASP 248 N 0.00 0.39 -0.05 0.00 3.32 -1.85 -3.37 116.42 114.87 3he3 h ASP 248 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3he3 h ASP 248 Cb 0.14 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3he3 h ASP 248 CO 0.00 1.15 0.00 2.22 -1.72 0.00 0.00 179.24 180.89 3he3 n PHE 249 N -3.67 0.06 -3.88 4.55 -1.74 -1.01 -4.92 117.46 106.85 3he3 n PHE 249 Ca -0.06 -0.41 -0.35 0.00 -0.56 0.00 0.00 57.45 56.08 3he3 n PHE 249 Cb 0.85 -0.04 -0.13 0.00 1.52 0.00 0.00 39.48 41.68 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 -0.85 2.98 0.08 1.97 1.01 -1.06 -5.08 121.20 120.25 3he3 s ILE 250 Ca 0.04 -1.76 -0.30 0.00 0.00 0.00 0.00 60.65 58.62 3he3 s ILE 250 Cb 0.02 -2.90 -0.09 0.00 0.01 0.00 0.00 42.46 39.50 3he3 s ILE 250 CO 0.03 -0.38 1.89 -2.16 0.00 0.00 0.00 174.94 174.31 3he3 s PRO 251 N 1.16 4.14 -0.00 2.79 0.04 -1.26 -4.88 135.00 136.98 3he3 s PRO 251 Ca 0.02 2.59 -0.07 0.00 0.04 0.00 0.00 61.00 63.58 3he3 s PRO 251 Cb -0.21 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.46 3he3 s PRO 251 CO -0.03 -0.89 0.13 -0.59 0.04 0.00 0.00 177.00 175.65 3he3 s PHE 252 N 3.59 0.03 -0.00 0.56 -0.12 -1.25 -1.69 117.98 119.10 3he3 s PHE 252 Ca 0.84 -0.08 -0.19 0.00 -0.05 0.00 0.00 56.93 57.45 3he3 s PHE 252 Cb -0.44 -0.04 -0.32 0.00 -0.63 0.00 0.00 43.02 41.59 3he3 s PHE 252 CO 0.38 -0.25 0.98 1.96 -0.05 0.00 0.00 175.22 178.25 3he3 h GLN 253 N 4.53 0.44 -4.33 1.99 1.08 -0.99 -3.48 115.11 114.35 3he3 h GLN 253 Ca -0.30 -0.68 -0.21 0.00 -1.45 0.00 0.00 58.65 56.01 3he3 h GLN 253 Cb 1.20 0.24 -0.20 0.00 -0.05 0.00 0.00 27.48 28.67 3he3 h GLN 253 CO 0.41 1.31 -0.71 -1.58 -0.95 0.00 0.00 178.83 177.31 3he3 s HIS 254 N -2.65 0.53 -0.06 2.96 2.46 -0.54 -4.98 115.29 113.01 3he3 s HIS 254 Ca -0.12 -0.63 0.06 0.00 0.47 0.00 0.00 55.06 54.84 3he3 s HIS 254 Cb 0.03 -0.34 -0.01 0.00 -0.13 0.00 0.00 32.58 32.13 3he3 s HIS 254 CO 0.88 -0.17 -0.23 1.41 -2.47 0.00 0.00 174.74 174.16 3he3 s MET 255 N -2.10 2.54 -0.24 2.88 1.75 -0.51 -0.89 119.30 122.73 3he3 s MET 255 Ca -0.07 -0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 53.45 3he3 s MET 255 Cb -0.06 -2.19 0.00 0.00 2.84 0.00 0.00 34.83 35.42 3he3 s MET 255 CO -0.02 0.42 -0.02 0.42 -0.65 0.00 0.00 175.02 175.17 3he3 s ILE 256 N -0.25 3.43 -0.13 10.11 1.01 -0.31 -0.52 121.20 134.55 3he3 s ILE 256 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3he3 s ILE 256 Cb -0.13 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3he3 s ILE 256 CO 0.03 0.32 -0.08 -0.47 0.00 0.00 0.00 174.94 174.73 3he3 s TYR 257 N 1.46 2.92 -0.03 3.97 5.04 0.47 -0.51 117.35 130.67 3he3 s TYR 257 Ca 0.04 -0.38 0.04 0.00 -2.44 0.00 0.00 57.07 54.33 3he3 s TYR 257 Cb -0.15 -1.86 0.06 0.00 0.35 0.00 0.00 41.96 40.36 3he3 s TYR 257 CO -0.02 -0.04 0.93 0.25 -1.34 0.00 0.00 175.55 175.33 3he3 n THR 258 N 3.29 0.91 -2.03 4.34 -2.24 -0.70 -2.33 114.28 115.52 3he3 n THR 258 Ca -0.18 -0.99 -0.15 0.00 -2.27 0.00 0.00 64.05 60.46 3he3 n THR 258 Cb 0.53 0.44 0.09 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.56 -0.22 3.76 3.38 0.00 -1.26 -4.02 105.19 106.26 3he3 n GLY 259 Ca 0.03 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3he3 n GLY 259 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3he3 s PRO 260 N -4.26 4.34 0.07 1.61 0.04 -1.26 -2.17 135.00 133.38 3he3 s PRO 260 Ca 0.40 2.20 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 3he3 s PRO 260 Cb -0.02 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 3he3 s PRO 260 CO 0.27 -0.26 1.45 -0.39 0.04 0.00 0.00 177.00 178.12 3he3 h VAL 261 N 3.29 1.29 -0.96 -0.36 -1.51 -1.79 -3.14 116.25 113.07 3he3 h VAL 261 Ca -0.47 -1.11 0.16 0.00 -1.23 0.00 0.00 66.70 64.05 3he3 h VAL 261 Cb 1.22 1.54 -0.09 0.00 -2.13 0.00 0.00 31.29 31.84 3he3 h VAL 261 CO 0.71 0.34 0.61 -2.24 -1.23 0.00 0.00 177.57 175.76 3he3 h ASP 262 N 0.19 0.72 0.07 4.19 2.03 -1.92 0.35 116.42 122.04 3he3 h ASP 262 Ca 0.06 0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.31 3he3 h ASP 262 Cb 0.56 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.97 3he3 h ASP 262 CO 0.03 0.32 -0.36 0.00 -1.03 0.00 0.00 179.24 178.20 3he3 h ALA 263 N 1.60 1.03 -0.30 4.15 0.00 -1.93 0.50 119.26 124.32 3he3 h ALA 263 Ca 0.51 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3he3 h ALA 263 Cb 0.80 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3he3 h ALA 263 CO -0.27 0.59 0.06 0.35 0.00 0.00 0.00 179.25 179.98 3he3 h PHE 264 N 0.34 0.43 -0.77 0.00 3.57 -0.89 -2.05 116.94 117.57 3he3 h PHE 264 Ca 0.04 -0.02 -0.42 0.00 3.53 0.00 0.00 57.97 61.09 3he3 h PHE 264 Cb 0.80 -0.13 -0.24 0.00 2.79 0.00 0.00 35.95 39.16 3he3 h PHE 264 CO 0.02 0.39 0.37 1.19 -2.23 0.00 0.00 178.31 178.05 3he3 n PHE 265 N -4.36 2.40 -2.78 0.41 3.01 -1.09 -4.93 117.46 110.12 3he3 n PHE 265 Ca 0.01 -1.91 -0.17 0.00 1.01 0.00 0.00 57.45 56.39 3he3 n PHE 265 Cb 0.18 -0.83 -0.00 0.00 -0.01 0.00 0.00 39.48 38.82 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 -1.10 -4.12 -2.60 4.37 8.00 -0.77 -1.75 116.55 118.58 3he3 n ASP 266 Ca 0.51 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.76 3he3 n ASP 266 Cb 1.33 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.98 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 -3.69 -1.32 0.04 1.24 3.72 0.17 -4.85 117.46 112.78 3he3 n PHE 267 Ca -0.11 0.16 0.14 0.00 -0.05 0.00 0.00 57.45 57.60 3he3 n PHE 267 Cb 0.59 -4.05 0.62 0.00 -0.94 0.00 0.00 39.48 35.70 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 -4.45 0.95 0.00 0.00 4.01 -1.26 -5.07 117.16 111.34 3he3 n TYR 269 Ca 0.06 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 3he3 n TYR 269 Cb 0.39 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 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 1.49 1.28 3.68 2.72 0.00 -0.16 -4.98 105.19 109.23 3he3 n GLY 270 Ca 0.23 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.84 4.33 -0.24 1.61 2.47 -1.26 -4.77 119.74 120.04 3he3 s LYS 271 Ca 0.00 1.69 -0.28 0.00 -1.56 0.00 0.00 55.97 55.82 3he3 s LYS 271 Cb 0.00 -3.58 0.01 0.00 -1.46 0.00 0.00 37.83 32.80 3he3 s LYS 271 CO 0.00 -0.48 0.98 -1.17 0.16 0.00 0.00 175.35 174.84 3he3 s LEU 272 N 2.36 4.08 -0.01 5.43 0.20 -1.26 -4.97 118.68 124.51 3he3 s LEU 272 Ca 0.56 1.25 -0.30 0.00 0.69 0.00 0.00 54.13 56.33 3he3 s LEU 272 Cb -0.25 -3.44 -0.08 0.00 -0.43 0.00 0.00 46.19 41.99 3he3 s LEU 272 CO 0.21 -0.65 1.89 -2.84 -0.29 0.00 0.00 176.35 174.67 3he3 s PRO 273 N 3.14 4.10 -0.06 0.98 0.02 -1.26 -4.99 135.00 136.93 3he3 s PRO 273 Ca 0.42 2.45 0.05 0.00 0.02 0.00 0.00 61.00 63.93 3he3 s PRO 273 Cb -0.15 -4.12 -0.01 0.00 0.02 0.00 0.00 34.50 30.24 3he3 s PRO 273 CO 0.07 -0.99 -0.21 0.71 -0.33 0.00 0.00 177.00 176.25 3he3 s TYR 274 N 4.55 2.15 0.23 6.54 1.51 -1.26 -3.51 117.35 127.57 3he3 s TYR 274 Ca 0.85 -0.68 -0.23 0.00 -1.01 0.00 0.00 57.07 55.99 3he3 s TYR 274 Cb -0.39 -1.43 -0.09 0.00 -0.11 0.00 0.00 41.96 39.94 3he3 s TYR 274 CO 0.38 -0.23 0.80 0.50 -1.11 0.00 0.00 175.55 175.88 3he3 s ARG 275 N 0.03 4.43 0.14 -0.62 6.06 0.49 -4.86 118.95 124.62 3he3 s ARG 275 Ca -0.07 1.08 0.01 0.00 -2.50 0.00 0.00 55.73 54.25 3he3 s ARG 275 Cb -0.14 -2.97 0.01 0.00 0.06 0.00 0.00 34.95 31.91 3he3 s ARG 275 CO 0.04 0.41 0.05 0.45 -2.50 0.00 0.00 175.30 173.75 3he3 n SER 276 N 0.92 1.97 -3.69 -2.12 2.88 -0.79 -1.34 113.62 111.44 3he3 n SER 276 Ca -0.02 -1.55 -0.12 0.00 -1.33 0.00 0.00 58.87 55.85 3he3 n SER 276 Cb 0.50 0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.57 -0.05 2.46 1.43 -1.26 -2.68 118.68 119.16 3he3 s LEU 277 Ca 0.04 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 3he3 s LEU 277 Cb -0.00 1.61 0.00 0.00 0.03 0.00 0.00 46.19 47.83 3he3 s LEU 277 CO 0.02 -0.67 -0.16 -0.70 0.23 0.00 0.00 176.35 175.08 3he3 s GLU 278 N -2.63 1.75 -0.17 1.70 2.12 0.84 -4.84 118.70 117.47 3he3 s GLU 278 Ca -0.04 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 3he3 s GLU 278 Cb -0.01 -1.49 -0.02 0.00 0.26 0.00 0.00 34.13 32.88 3he3 s GLU 278 CO -0.04 0.18 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.73 3he3 s PHE 279 N 0.21 2.92 -0.29 5.30 0.40 -1.26 -0.61 117.98 124.65 3he3 s PHE 279 Ca -0.07 -0.67 -0.07 0.00 -0.60 0.00 0.00 56.93 55.52 3he3 s PHE 279 Cb -0.12 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.44 3he3 s PHE 279 CO 0.03 -0.30 0.08 0.50 0.70 0.00 0.00 175.22 176.23 3he3 s ARG 280 N 0.78 3.15 -0.09 0.44 3.52 -0.40 -4.95 118.95 121.41 3he3 s ARG 280 Ca -0.03 -0.81 -0.05 0.00 -0.13 0.00 0.00 55.73 54.70 3he3 s ARG 280 Cb -0.15 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3he3 s ARG 280 CO 0.02 -0.41 0.14 -1.01 -0.81 0.00 0.00 175.30 173.22 3he3 s HIS 281 N 1.51 3.55 0.00 5.12 3.76 -1.26 -0.31 115.29 127.66 3he3 s HIS 281 Ca 0.03 0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 55.36 3he3 s HIS 281 Cb -0.17 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.62 3he3 s HIS 281 CO 0.02 0.70 0.07 -1.21 -0.85 0.00 0.00 174.74 173.47 3he3 s GLU 282 N -1.26 0.35 -0.09 1.40 2.02 -0.51 -4.99 118.70 115.62 3he3 s GLU 282 Ca 0.18 -0.36 0.03 0.00 0.02 0.00 0.00 54.97 54.85 3he3 s GLU 282 Cb -0.12 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.24 3he3 s GLU 282 CO 0.08 -0.07 -0.20 0.99 0.02 0.00 0.00 175.26 176.08 3he3 s THR 283 N -1.12 2.49 0.00 3.63 2.01 -1.26 -0.12 115.64 121.28 3he3 s THR 283 Ca -0.12 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.07 3he3 s THR 283 Cb -0.07 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 3he3 s THR 283 CO 0.00 0.56 -0.25 -1.00 -0.69 0.00 0.00 174.62 173.24 3he3 s HIS 284 N 0.02 2.37 -1.29 4.92 3.76 0.92 -4.96 115.29 121.02 3he3 s HIS 284 Ca -0.07 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.28 3he3 s HIS 284 Cb -0.15 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.07 3he3 s HIS 284 CO 0.05 0.05 2.11 -3.47 -0.85 0.00 0.00 174.74 172.63 3he3 n ASP 285 N 2.15 3.66 -3.51 1.40 2.03 -1.26 -1.72 116.55 119.30 3he3 n ASP 285 Ca -0.16 -2.81 -0.11 0.00 0.52 0.00 0.00 54.79 52.23 3he3 n ASP 285 Cb 0.51 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 3he3 n ASP 285 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3he3 s THR 286 N 3.90 0.01 0.16 5.18 -1.32 -1.25 -5.00 115.64 117.31 3he3 s THR 286 Ca 0.50 -0.22 0.01 0.00 -1.21 0.00 0.00 61.69 60.77 3he3 s THR 286 Cb 0.13 -1.18 -0.15 0.00 -1.51 0.00 0.00 72.50 69.78 3he3 s THR 286 CO -0.02 -0.03 1.36 -0.33 -2.21 0.00 0.00 174.62 173.39 3he3 h GLU 287 N 2.03 0.26 -3.11 7.08 5.08 -1.85 -2.67 114.58 121.40 3he3 h GLU 287 Ca -0.32 -0.28 -0.18 0.00 -1.00 0.00 0.00 59.36 57.58 3he3 h GLU 287 Cb 1.30 0.08 -0.28 0.00 0.50 0.00 0.00 28.75 30.35 3he3 h GLU 287 CO 0.37 0.99 -0.47 -1.14 -1.00 0.00 0.00 179.01 177.75 3he3 s GLN 288 N -3.25 0.23 -0.09 2.33 0.74 -1.26 -4.66 119.66 113.70 3he3 s GLN 288 Ca -0.04 0.42 0.04 0.00 0.05 0.00 0.00 55.36 55.83 3he3 s GLN 288 Cb 0.10 0.00 -0.08 0.00 1.10 0.00 0.00 33.01 34.13 3he3 s GLN 288 CO 0.84 -0.10 -0.04 -0.11 -0.55 0.00 0.00 175.29 175.33 3he3 n LEU 289 N 3.60 1.61 -4.42 3.68 7.94 -1.26 -5.05 117.00 123.10 3he3 n LEU 289 Ca -0.19 -0.03 -0.28 0.00 -1.11 0.00 0.00 56.01 54.40 3he3 n LEU 289 Cb 0.56 -0.10 -0.12 0.00 0.53 0.00 0.00 43.42 44.28 3he3 n LEU 289 CO 0.17 0.46 -0.54 -0.76 -1.11 0.00 0.00 177.39 175.60 3he3 s LEU 290 N -5.14 2.43 0.39 -1.96 1.43 -1.26 -5.04 118.68 109.53 3he3 s LEU 290 Ca -0.09 -0.80 0.09 0.00 -1.03 0.00 0.00 54.13 52.30 3he3 s LEU 290 Cb 0.03 -1.22 0.78 0.00 0.03 0.00 0.00 46.19 45.81 3he3 s LEU 290 CO 0.28 0.14 1.92 -0.65 0.23 0.00 0.00 176.35 178.27 3he3 h PRO 291 N 3.44 0.25 0.00 1.29 0.11 -1.97 -3.46 132.00 131.66 3he3 h PRO 291 Ca -0.48 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 3he3 h PRO 291 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3he3 h PRO 291 CO 0.45 0.38 -0.13 0.25 -0.21 0.00 0.00 178.00 178.74 3he3 n THR 292 N -4.28 0.00 -0.20 -1.15 -2.24 -1.26 -5.07 114.28 100.08 3he3 n THR 292 Ca -0.01 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.04 3he3 n THR 292 Cb 0.26 0.32 0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.54 0.84 -5.82 3.38 0.00 -1.87 -3.42 103.07 96.72 3he3 h GLY 293 Ca -0.07 -0.35 -0.27 0.00 0.00 0.00 0.00 47.33 46.64 3he3 h GLY 293 CO 0.10 0.34 -0.73 -1.59 0.00 0.00 0.00 176.54 174.66 3he3 s THR 294 N -5.97 0.05 -0.14 4.70 2.01 -1.25 -0.52 115.64 114.52 3he3 s THR 294 Ca -0.13 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3he3 s THR 294 Cb 0.13 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.53 3he3 s THR 294 CO 0.76 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.91 3he3 s VAL 295 N 0.32 2.90 0.08 3.82 1.01 -0.55 -2.37 120.40 125.61 3he3 s VAL 295 Ca -0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 3he3 s VAL 295 Cb -0.04 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 3he3 s VAL 295 CO -0.01 0.52 0.33 0.20 0.00 0.00 0.00 175.10 176.15 3he3 s ASN 296 N 0.48 6.51 -0.59 3.32 0.01 0.11 -1.61 114.94 123.18 3he3 s ASN 296 Ca -0.10 0.60 0.04 0.00 -0.71 0.00 0.00 52.86 52.69 3he3 s ASN 296 Cb -0.16 -2.10 0.16 0.00 0.41 0.00 0.00 41.25 39.57 3he3 s ASN 296 CO 0.05 0.15 0.41 -0.31 -1.51 0.00 0.00 177.10 175.88 3he3 s TYR 297 N -1.48 2.72 0.44 2.20 1.51 -0.24 -0.68 117.35 121.82 3he3 s TYR 297 Ca 0.35 -2.96 0.14 0.00 -1.01 0.00 0.00 57.07 53.58 3he3 s TYR 297 Cb -0.13 -2.16 0.99 0.00 -0.11 0.00 0.00 41.96 40.55 3he3 s TYR 297 CO 0.21 -0.66 1.99 -1.35 -1.11 0.00 0.00 175.55 174.63 3he3 h PRO 298 N 5.69 0.02 0.00 -1.71 0.11 -1.82 -3.34 132.00 130.94 3he3 h PRO 298 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3he3 h PRO 298 Cb 0.82 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3he3 h PRO 298 CO 0.60 0.19 0.00 0.09 -0.21 0.00 0.00 178.00 178.67 3he3 n ASN 299 N -4.32 0.65 -4.13 -2.05 3.02 -1.26 -2.36 115.26 104.81 3he3 n ASN 299 Ca -0.02 -0.97 -0.12 0.00 -0.03 0.00 0.00 54.58 53.44 3he3 n ASN 299 Cb 0.24 0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.04 1.10 0.24 6.41 1.11 -1.26 -5.13 116.67 119.12 3he3 s ASP 300 Ca 0.00 -0.78 0.00 0.00 0.18 0.00 0.00 52.55 51.95 3he3 s ASP 300 Cb 0.00 0.05 0.00 0.00 1.07 0.00 0.00 42.92 44.04 3he3 s ASP 300 CO 0.00 -0.32 0.00 -1.22 1.18 0.00 0.00 175.17 174.81 3he3 n TYR 301 N 0.68 -1.51 0.14 4.23 4.01 -1.26 -4.65 117.16 118.80 3he3 n TYR 301 Ca -0.17 0.84 -0.01 0.00 -0.16 0.00 0.00 57.90 58.40 3he3 n TYR 301 Cb 0.58 -1.38 0.20 0.00 -0.31 0.00 0.00 39.34 38.43 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 -0.55 1.03 -2.32 -0.72 0.00 -1.97 -3.45 119.26 111.27 3he3 h ALA 302 Ca -0.08 -0.53 -0.50 0.00 0.00 0.00 0.00 54.91 53.81 3he3 h ALA 302 Cb 0.54 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3he3 h ALA 302 CO 0.03 0.73 0.09 1.52 0.00 0.00 0.00 179.25 181.62 3he3 s TYR 303 N -3.68 3.50 -0.14 0.00 -0.85 -1.26 -4.62 117.35 110.30 3he3 s TYR 303 Ca -0.01 0.94 0.18 0.00 -0.52 0.00 0.00 57.07 57.66 3he3 s TYR 303 Cb 0.13 -2.37 -0.14 0.00 0.38 0.00 0.00 41.96 39.96 3he3 s TYR 303 CO 0.76 -0.14 0.77 0.25 -1.52 0.00 0.00 175.55 175.67 3he3 n THR 304 N -1.58 1.01 -3.61 -3.49 -2.24 -0.52 -4.72 114.28 99.14 3he3 n THR 304 Ca 0.01 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 61.10 3he3 n THR 304 Cb 0.54 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3he3 n THR 304 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3he3 s ARG 305 N -3.01 0.53 0.08 -0.78 1.70 -1.26 -1.08 118.95 115.13 3he3 s ARG 305 Ca -0.04 -0.25 0.08 0.00 -0.47 0.00 0.00 55.73 55.06 3he3 s ARG 305 Cb 0.09 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 3he3 s ARG 305 CO 0.82 -0.24 -0.22 0.08 -1.08 0.00 0.00 175.30 174.66 3he3 s VAL 306 N -2.65 1.81 0.04 4.99 1.01 -0.63 -2.24 120.40 122.73 3he3 s VAL 306 Ca 0.10 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.70 3he3 s VAL 306 Cb 0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3he3 s VAL 306 CO -0.04 0.11 -0.11 -0.44 0.00 0.00 0.00 175.10 174.61 3he3 s SER 307 N -1.57 1.32 -0.37 3.32 0.01 -0.79 -1.49 113.70 114.14 3he3 s SER 307 Ca 0.08 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 3he3 s SER 307 Cb -0.10 -0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.17 3he3 s SER 307 CO 0.03 -0.04 0.12 -0.70 0.41 0.00 0.00 173.24 173.07 3he3 s GLU 308 N -1.19 1.94 0.53 12.44 2.12 0.32 -1.91 118.70 132.95 3he3 s GLU 308 Ca -0.02 -1.73 0.24 0.00 0.36 0.00 0.00 54.97 53.82 3he3 s GLU 308 Cb -0.08 -3.40 1.39 0.00 0.26 0.00 0.00 34.13 32.31 3he3 s GLU 308 CO 0.01 -0.95 2.02 0.74 -0.54 0.00 0.00 175.26 176.55 3he3 h PHE 309 N 7.92 0.00 -0.52 5.30 -1.00 -1.84 -1.70 116.94 125.10 3he3 h PHE 309 Ca -0.12 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.67 3he3 h PHE 309 Cb 1.04 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.58 3he3 h PHE 309 CO 0.54 0.00 0.34 0.87 -1.61 0.00 0.00 178.31 178.45 3he3 h LYS 310 N 0.00 0.64 -0.29 1.51 1.57 -1.85 0.54 116.57 118.69 3he3 h LYS 310 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3he3 h LYS 310 Cb 0.83 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3he3 h LYS 310 CO -0.00 0.42 0.19 0.45 -0.57 0.00 0.00 179.45 179.95 3he3 h HIS 311 N 0.66 0.36 0.07 -1.35 3.86 -1.66 0.39 115.15 117.49 3he3 h HIS 311 Ca 0.20 0.01 -0.33 0.00 -1.16 0.00 0.00 60.37 59.09 3he3 h HIS 311 Cb -0.01 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 3he3 h HIS 311 CO -0.00 0.23 -1.83 -0.89 0.86 0.00 0.00 177.93 176.30 3he3 n ILE 312 N -4.49 1.67 0.07 2.45 5.41 -0.29 -4.30 119.36 119.88 3he3 n ILE 312 Ca 0.01 -0.44 -0.07 0.00 1.00 0.00 0.00 62.75 63.26 3he3 n ILE 312 Cb 0.07 -1.82 -0.09 0.00 -0.71 0.00 0.00 39.64 37.09 3he3 n ILE 312 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3he3 h THR 313 N -0.33 1.67 0.00 1.39 1.35 -1.00 -3.46 112.91 112.53 3he3 h THR 313 Ca -0.43 -3.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.19 3he3 h THR 313 Cb 1.77 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.97 3he3 h THR 313 CO -0.05 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 3he3 n GLY 314 N 1.24 0.72 3.74 5.82 0.00 0.13 -5.02 105.19 111.81 3he3 n GLY 314 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.24 2.84 -0.10 1.61 0.74 -1.24 -5.02 119.66 118.25 3he3 s GLN 315 Ca 0.00 2.00 -0.01 0.00 0.05 0.00 0.00 55.36 57.40 3he3 s GLN 315 Cb 0.00 -1.96 -0.03 0.00 1.10 0.00 0.00 33.01 32.12 3he3 s GLN 315 CO 0.00 -1.36 -0.04 0.50 -0.55 0.00 0.00 175.29 173.84 3he3 s ARG 316 N -3.26 3.08 -0.16 1.67 3.52 -1.26 -4.89 118.95 117.65 3he3 s ARG 316 Ca 0.78 -0.51 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 3he3 s ARG 316 Cb -0.35 -2.73 0.13 0.00 -1.56 0.00 0.00 34.95 30.43 3he3 s ARG 316 CO 0.39 0.55 1.00 -1.58 -0.81 0.00 0.00 175.30 174.84 3he3 s HIS 317 N -0.48 -0.37 -0.74 5.12 2.46 -1.26 -5.04 115.29 114.98 3he3 s HIS 317 Ca 0.08 0.63 0.26 0.00 0.47 0.00 0.00 55.06 56.50 3he3 s HIS 317 Cb -0.12 0.45 0.86 0.00 -0.13 0.00 0.00 32.58 33.64 3he3 s HIS 317 CO 0.02 -0.34 1.78 -2.39 -2.47 0.00 0.00 174.74 171.34 3he3 n HIS 318 N 0.73 0.85 -4.48 3.88 1.44 -1.26 -4.78 115.22 111.59 3he3 n HIS 318 Ca -0.10 0.25 -0.23 0.00 -2.01 0.00 0.00 57.72 55.63 3he3 n HIS 318 Cb 0.58 -0.91 -0.04 0.00 0.12 0.00 0.00 29.99 29.73 3he3 n HIS 318 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3he3 n GLN 319 N -2.20 1.10 -3.86 -1.40 6.02 -1.26 -3.86 117.38 111.92 3he3 n GLN 319 Ca 0.05 -2.66 -0.11 0.00 -0.01 0.00 0.00 57.00 54.27 3he3 n GLN 319 Cb 0.41 0.68 -0.10 0.00 1.02 0.00 0.00 30.24 32.24 3he3 n GLN 319 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3he3 s THR 320 N -2.29 0.07 -0.06 5.09 -1.32 -0.70 -4.72 115.64 111.71 3he3 s THR 320 Ca 0.02 -0.58 0.05 0.00 -1.21 0.00 0.00 61.69 59.97 3he3 s THR 320 Cb -0.00 -0.40 -0.01 0.00 -1.51 0.00 0.00 72.50 70.58 3he3 s THR 320 CO 0.01 -0.32 -0.22 -0.44 -2.21 0.00 0.00 174.62 171.45 3he3 s SER 321 N -1.15 2.68 0.35 8.08 0.01 -1.26 -0.06 113.70 122.36 3he3 s SER 321 Ca -0.12 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.73 3he3 s SER 321 Cb -0.07 -0.79 -0.06 0.00 0.21 0.00 0.00 66.02 65.31 3he3 s SER 321 CO 0.01 0.20 0.06 0.68 0.41 0.00 0.00 173.24 174.60 3he3 s VAL 322 N -0.02 1.18 -0.01 3.43 -7.23 0.83 -3.04 120.40 115.54 3he3 s VAL 322 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3he3 s VAL 322 Cb -0.13 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.09 3he3 s VAL 322 CO 0.04 0.00 -0.00 0.54 -0.31 0.00 0.00 175.10 175.36 3he3 s VAL 323 N -3.22 0.11 -0.15 1.32 0.11 -0.80 -1.43 120.40 116.34 3he3 s VAL 323 Ca 0.34 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.36 3he3 s VAL 323 Cb 0.08 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.73 3he3 s VAL 323 CO 0.15 0.08 0.05 -0.31 -3.33 0.00 0.00 175.10 171.74 3he3 s TYR 324 N 0.51 3.24 -0.24 1.54 2.02 0.57 -1.88 117.35 123.11 3he3 s TYR 324 Ca -0.05 0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.68 3he3 s TYR 324 Cb -0.07 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 3he3 s TYR 324 CO -0.01 0.27 0.09 -1.21 -1.57 0.00 0.00 175.55 173.11 3he3 s GLU 325 N -0.07 3.74 -0.21 -0.62 2.02 -0.95 -1.27 118.70 121.34 3he3 s GLU 325 Ca 0.06 -0.44 -0.04 0.00 0.02 0.00 0.00 54.97 54.57 3he3 s GLU 325 Cb -0.12 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 3he3 s GLU 325 CO 0.01 -0.12 -0.03 0.71 0.02 0.00 0.00 175.26 175.85 3he3 s TYR 326 N 1.45 2.97 0.30 1.61 1.51 0.22 -1.43 117.35 123.98 3he3 s TYR 326 Ca 0.06 -0.79 -0.29 0.00 -1.01 0.00 0.00 57.07 55.03 3he3 s TYR 326 Cb -0.15 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.50 3he3 s TYR 326 CO 0.04 -0.46 1.42 -2.14 -1.11 0.00 0.00 175.55 173.31 3he3 s PRO 327 N 1.32 4.25 0.08 -1.71 0.02 -1.26 -0.11 135.00 137.60 3he3 s PRO 327 Ca 0.04 2.35 0.04 0.00 0.02 0.00 0.00 61.00 63.45 3he3 s PRO 327 Cb -0.14 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3he3 s PRO 327 CO -0.01 -0.39 -0.11 1.03 -0.33 0.00 0.00 177.00 177.19 3he3 s ARG 328 N -1.18 0.81 -0.03 5.54 1.81 -1.09 -4.84 118.95 119.97 3he3 s ARG 328 Ca 0.55 -1.05 0.06 0.00 -1.72 0.00 0.00 55.73 53.57 3he3 s ARG 328 Cb -0.43 -0.61 -0.24 0.00 -0.45 0.00 0.00 34.95 33.22 3he3 s ARG 328 CO 0.51 0.11 0.71 0.00 -0.68 0.00 0.00 175.30 175.95 3he3 h ALA 329 N 3.91 0.58 -2.13 2.13 0.00 -1.93 -2.10 119.26 119.71 3he3 h ALA 329 Ca -0.38 -1.34 -0.50 0.00 0.00 0.00 0.00 54.91 52.69 3he3 h ALA 329 Cb 1.19 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3he3 h ALA 329 CO 0.47 1.43 -0.51 -1.21 0.00 0.00 0.00 179.25 179.43 3he3 s GLU 330 N -2.61 2.90 0.00 0.00 8.01 -1.26 -4.55 118.70 121.19 3he3 s GLU 330 Ca -0.08 -1.09 0.00 0.00 0.01 0.00 0.00 54.97 53.81 3he3 s GLU 330 Cb 0.08 -2.56 0.00 0.00 -4.31 0.00 0.00 34.13 27.34 3he3 s GLU 330 CO 0.82 0.35 0.00 0.41 0.01 0.00 0.00 175.26 176.85 3he3 n GLY 331 N -1.22 0.31 3.78 -1.39 0.00 -1.26 -4.67 105.19 100.73 3he3 n GLY 331 Ca -0.07 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 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 0.07 3.80 -4.67 1.61 9.92 -1.26 -4.87 116.55 121.16 3he3 n ASP 332 Ca 0.00 1.22 -0.43 0.00 -0.53 0.00 0.00 54.79 55.06 3he3 n ASP 332 Cb 0.00 -1.62 -0.02 0.00 -0.64 0.00 0.00 41.12 38.83 3he3 n ASP 332 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3he3 s PRO 333 N -2.13 4.23 -0.00 -0.24 0.02 -1.26 -4.31 135.00 131.30 3he3 s PRO 333 Ca 0.53 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.42 3he3 s PRO 333 Cb -0.47 -3.78 -0.00 0.00 0.02 0.00 0.00 34.50 30.26 3he3 s PRO 333 CO 0.64 -0.71 -0.00 0.66 -0.33 0.00 0.00 177.00 177.26 3he3 n TYR 334 N 6.47 0.00 -5.02 6.54 0.53 -0.57 -5.02 117.16 120.08 3he3 n TYR 334 Ca 0.15 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.73 3he3 n TYR 334 Cb 0.44 -0.02 -0.17 0.00 -1.03 0.00 0.00 39.34 38.57 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 -2.01 2.18 0.45 -0.72 1.51 -0.45 -4.97 117.35 113.35 3he3 s TYR 335 Ca -0.00 -0.84 -0.23 0.00 -1.01 0.00 0.00 57.07 54.99 3he3 s TYR 335 Cb 0.00 -1.48 -0.07 0.00 -0.11 0.00 0.00 41.96 40.29 3he3 s TYR 335 CO 0.01 -0.34 1.17 -2.14 -1.11 0.00 0.00 175.55 173.14 3he3 s PRO 336 N 0.36 3.79 -0.74 -1.71 0.02 -1.26 -0.38 135.00 135.07 3he3 s PRO 336 Ca -0.15 1.80 -0.12 0.00 0.02 0.00 0.00 61.00 62.55 3he3 s PRO 336 Cb -0.17 -2.44 0.19 0.00 0.02 0.00 0.00 34.50 32.11 3he3 s PRO 336 CO 0.07 -0.53 0.66 0.08 -0.33 0.00 0.00 177.00 176.94 3he3 s VAL 337 N -1.52 5.16 -0.73 3.83 1.01 -1.23 -4.81 120.40 122.11 3he3 s VAL 337 Ca 0.63 -2.43 -0.26 0.00 0.00 0.00 0.00 61.98 59.92 3he3 s VAL 337 Cb -0.29 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.83 3he3 s VAL 337 CO 0.36 -0.97 1.87 -2.84 0.00 0.00 0.00 175.10 173.51 3he3 s PRO 338 N 0.32 2.63 0.01 2.72 0.02 -1.26 -4.74 135.00 134.70 3he3 s PRO 338 Ca 0.16 0.22 -0.14 0.00 0.02 0.00 0.00 61.00 61.25 3he3 s PRO 338 Cb -0.15 -4.65 0.02 0.00 0.02 0.00 0.00 34.50 29.74 3he3 s PRO 338 CO -0.06 -2.95 0.29 -0.98 -0.33 0.00 0.00 177.00 172.97 3he3 s ARG 339 N 6.96 0.70 0.27 5.54 1.70 -1.26 -0.79 118.95 132.07 3he3 s ARG 339 Ca 0.67 -0.32 -0.08 0.00 -0.47 0.00 0.00 55.73 55.53 3he3 s ARG 339 Cb -0.10 0.31 0.45 0.00 -0.57 0.00 0.00 34.95 35.04 3he3 s ARG 339 CO 0.12 -0.20 1.57 -1.35 -1.08 0.00 0.00 175.30 174.36 3he3 h PRO 340 N 3.68 0.00 0.00 3.89 0.11 -1.90 0.26 132.00 138.04 3he3 h PRO 340 Ca -0.30 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3he3 h PRO 340 Cb 1.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3he3 h PRO 340 CO 0.42 0.00 -0.27 1.05 -0.21 0.00 0.00 178.00 179.00 3he3 h GLU 341 N 0.00 0.00 0.20 1.05 4.11 -1.97 -1.45 114.58 116.52 3he3 h GLU 341 Ca 0.46 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.63 3he3 h GLU 341 Cb 0.74 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.02 3he3 h GLU 341 CO -0.95 0.27 -1.15 -0.91 0.07 0.00 0.00 179.01 176.33 3he3 h ASN 342 N 0.00 0.65 -0.62 3.06 2.35 -0.84 -2.51 115.58 117.67 3he3 h ASN 342 Ca -0.00 -0.94 0.10 0.00 -0.55 0.00 0.00 56.30 54.91 3he3 h ASN 342 Cb 0.61 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3he3 h ASN 342 CO 0.03 1.56 0.42 0.00 -1.65 0.00 0.00 177.43 177.79 3he3 h ALA 343 N 0.11 2.02 -0.22 -0.83 0.00 -0.95 0.23 119.26 119.62 3he3 h ALA 343 Ca -0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3he3 h ALA 343 Cb 1.90 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3he3 h ALA 343 CO 0.21 -0.17 -0.25 1.49 0.00 0.00 0.00 179.25 180.53 3he3 h GLU 344 N 0.42 0.57 -0.37 0.00 4.81 -1.28 -1.68 114.58 117.05 3he3 h GLU 344 Ca 0.29 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3he3 h GLU 344 Cb 0.58 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3he3 h GLU 344 CO -0.08 0.91 -0.13 1.25 -0.73 0.00 0.00 179.01 180.23 3he3 h LEU 345 N 0.26 0.75 -0.47 1.64 6.46 -0.84 -3.05 115.31 120.06 3he3 h LEU 345 Ca 0.03 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 3he3 h LEU 345 Cb 0.82 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 3he3 h LEU 345 CO 0.06 0.96 0.20 0.22 -0.62 0.00 0.00 178.44 179.26 3he3 h TYR 346 N 0.53 0.36 -0.97 1.25 3.20 -0.53 -1.70 116.97 119.11 3he3 h TYR 346 Ca 0.09 0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.23 3he3 h TYR 346 Cb 0.65 -0.09 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 3he3 h TYR 346 CO 0.05 0.16 0.52 0.87 -1.64 0.00 0.00 178.16 178.12 3he3 h LYS 347 N 0.40 0.46 0.15 1.82 1.57 -1.19 1.05 116.57 120.84 3he3 h LYS 347 Ca 0.21 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3he3 h LYS 347 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3he3 h LYS 347 CO -0.19 0.30 -0.07 0.87 -0.57 0.00 0.00 179.45 179.79 3he3 h LYS 348 N 0.47 -0.20 -0.55 3.15 1.57 -1.30 0.13 116.57 119.85 3he3 h LYS 348 Ca 0.63 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.37 3he3 h LYS 348 Cb 1.25 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 3he3 h LYS 348 CO -0.52 -0.11 0.12 1.88 -0.57 0.00 0.00 179.45 180.25 3he3 h TYR 349 N -0.24 0.88 -1.00 -1.35 -1.99 -0.83 -2.32 116.97 110.12 3he3 h TYR 349 Ca -0.02 -0.09 0.07 0.00 2.00 0.00 0.00 58.73 60.69 3he3 h TYR 349 Cb 0.18 -0.25 -0.07 0.00 2.00 0.00 0.00 36.73 38.59 3he3 h TYR 349 CO -0.06 0.74 0.65 1.49 -0.00 0.00 0.00 178.16 180.98 3he3 h GLU 350 N 0.81 1.13 -0.30 4.88 4.81 0.15 0.52 114.58 126.58 3he3 h GLU 350 Ca 0.18 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3he3 h GLU 350 Cb 0.32 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3he3 h GLU 350 CO 0.00 0.75 -0.18 0.00 -0.73 0.00 0.00 179.01 178.85 3he3 h ALA 351 N 1.46 1.13 -0.14 2.92 0.00 -0.45 0.25 119.26 124.44 3he3 h ALA 351 Ca 0.43 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3he3 h ALA 351 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3he3 h ALA 351 CO -0.17 0.54 -0.20 -0.07 0.00 0.00 0.00 179.25 179.35 3he3 h LEU 352 N 0.49 0.42 -2.49 0.00 3.38 -0.89 -2.07 115.31 114.14 3he3 h LEU 352 Ca 0.08 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3he3 h LEU 352 Cb 0.59 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3he3 h LEU 352 CO 0.04 0.86 0.05 0.00 0.09 0.00 0.00 178.44 179.48 3he3 h ALA 353 N 0.57 1.05 0.04 1.53 0.00 0.29 -1.15 119.26 121.59 3he3 h ALA 353 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 3he3 h ALA 353 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3he3 h ALA 353 CO 0.05 -0.05 -1.07 -0.44 0.00 0.00 0.00 179.25 177.73 3he3 h ASP 354 N 0.00 0.13 1.43 0.00 3.45 0.16 -3.31 116.42 118.28 3he3 h ASP 354 Ca 0.00 -0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.25 3he3 h ASP 354 Cb 0.11 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 3he3 h ASP 354 CO 0.00 1.11 -0.59 0.00 -1.57 0.00 0.00 179.24 178.19 3he3 h ALA 355 N 0.88 0.73 -1.71 3.45 0.00 -0.74 -3.44 119.26 118.43 3he3 h ALA 355 Ca -0.05 -0.34 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 3he3 h ALA 355 Cb 1.83 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 3he3 h ALA 355 CO 0.15 0.43 1.22 0.00 0.00 0.00 0.00 179.25 181.05 3he3 s ALA 356 N -3.07 2.73 0.10 0.00 0.00 -1.12 -4.84 121.76 115.56 3he3 s ALA 356 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.82 3he3 s ALA 356 Cb 0.07 -4.08 -0.22 0.00 0.00 0.00 0.00 23.12 18.89 3he3 s ALA 356 CO 0.74 -2.94 1.20 -0.56 0.00 0.00 0.00 175.76 174.21 3he3 h GLN 357 N 12.55 0.04 -0.49 0.00 3.07 -1.89 -3.29 115.11 125.11 3he3 h GLN 357 Ca -0.29 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.37 3he3 h GLN 357 Cb 1.14 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.73 3he3 h GLN 357 CO 1.12 0.99 0.00 -0.25 0.09 0.00 0.00 178.83 180.78 3he3 n ASP 358 N -3.35 2.86 -4.07 0.06 10.43 -1.26 -4.86 116.55 116.35 3he3 n ASP 358 Ca -0.03 -1.97 -0.24 0.00 2.57 0.00 0.00 54.79 55.12 3he3 n ASP 358 Cb 0.96 -0.33 -0.16 0.00 1.84 0.00 0.00 41.12 43.44 3he3 n ASP 358 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3he3 s VAL 359 N -1.35 1.21 -0.12 2.53 1.01 -1.24 -1.43 120.40 121.00 3he3 s VAL 359 Ca 0.36 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3he3 s VAL 359 Cb 0.19 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3he3 s VAL 359 CO 0.26 0.36 -0.09 -0.89 0.00 0.00 0.00 175.10 174.74 3he3 s THR 360 N 0.28 3.45 -0.21 3.92 2.01 0.33 -4.90 115.64 120.52 3he3 s THR 360 Ca -0.07 -0.53 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 3he3 s THR 360 Cb -0.12 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 3he3 s THR 360 CO 0.02 0.53 0.03 -0.36 -0.69 0.00 0.00 174.62 174.15 3he3 s PHE 361 N 0.11 3.09 -0.03 4.92 0.40 -1.26 -0.39 117.98 124.82 3he3 s PHE 361 Ca -0.04 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 3he3 s PHE 361 Cb -0.14 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.28 3he3 s PHE 361 CO 0.04 -0.19 0.22 0.54 0.70 0.00 0.00 175.22 176.52 3he3 s VAL 362 N 1.04 0.05 0.00 -0.44 0.11 -0.98 -4.79 120.40 115.39 3he3 s VAL 362 Ca 0.03 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3he3 s VAL 362 Cb -0.14 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3he3 s VAL 362 CO 0.02 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 3he3 n GLY 363 N 1.77 1.71 0.13 6.54 0.00 -1.26 -4.17 105.19 109.91 3he3 n GLY 363 Ca -0.20 -2.16 -0.07 0.00 0.00 0.00 0.00 46.02 43.59 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 0.01 0.07 1.61 2.43 -1.87 -2.08 114.38 114.55 3he3 h ARG 364 Ca 0.00 -0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 3he3 h ARG 364 Cb 0.00 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3he3 h ARG 364 CO 0.00 0.01 -1.32 -0.07 -1.51 0.00 0.00 179.97 177.08 3he3 h LEU 365 N 0.01 0.25 -0.09 3.80 3.38 -1.83 -0.95 115.31 119.87 3he3 h LEU 365 Ca 0.14 -0.31 -0.22 0.00 0.09 0.00 0.00 57.88 57.58 3he3 h LEU 365 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3he3 h LEU 365 CO -0.28 1.25 -1.01 0.00 0.09 0.00 0.00 178.44 178.49 3he3 h ALA 366 N 0.71 0.37 -0.23 1.53 0.00 -1.39 -3.19 119.26 117.07 3he3 h ALA 366 Ca -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3he3 h ALA 366 Cb 1.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3he3 h ALA 366 CO 0.16 1.04 0.00 0.25 0.00 0.00 0.00 179.25 180.70 3he3 n THR 367 N -3.52 0.59 -3.46 0.00 -2.24 -0.79 -4.55 114.28 100.30 3he3 n THR 367 Ca -0.04 -0.79 -0.21 0.00 -2.27 0.00 0.00 64.05 60.74 3he3 n THR 367 Cb 0.90 0.81 0.06 0.00 -2.10 0.00 0.00 70.33 70.00 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 0.63 -2.19 -4.46 4.78 9.36 -0.77 -5.01 117.16 119.49 3he3 n TYR 368 Ca 0.10 0.73 -0.22 0.00 3.32 0.00 0.00 57.90 61.83 3he3 n TYR 368 Cb 0.38 -4.02 -0.16 0.00 -0.63 0.00 0.00 39.34 34.92 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 -5.19 1.28 -1.11 2.98 0.52 -0.43 -4.98 118.95 112.03 3he3 s ARG 369 Ca 0.37 -0.34 -0.23 0.00 -0.52 0.00 0.00 55.73 55.01 3he3 s ARG 369 Cb -0.08 -1.13 -0.11 0.00 0.52 0.00 0.00 34.95 34.15 3he3 s ARG 369 CO 0.79 0.06 1.93 0.98 0.02 0.00 0.00 175.30 179.08 3he3 n TYR 370 N 3.59 2.54 -4.54 -0.53 4.19 -1.26 -4.55 117.16 116.60 3he3 n TYR 370 Ca -0.21 -1.49 -0.34 0.00 3.31 0.00 0.00 57.90 59.17 3he3 n TYR 370 Cb 0.53 -2.46 -0.11 0.00 0.49 0.00 0.00 39.34 37.79 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 10.12 2.99 0.99 2.98 2.02 -1.26 -5.12 117.35 130.07 3he3 s TYR 371 Ca 0.67 -0.05 -0.14 0.00 -0.37 0.00 0.00 57.07 57.18 3he3 s TYR 371 Cb 0.02 -1.79 0.19 0.00 -0.40 0.00 0.00 41.96 39.98 3he3 s TYR 371 CO 0.14 0.24 1.14 -0.80 -1.57 0.00 0.00 175.55 174.70 3he3 s ASN 372 N -0.50 2.75 0.14 2.29 0.01 -1.26 -4.83 114.94 113.54 3he3 s ASN 372 Ca 0.08 0.88 -0.18 0.00 -0.71 0.00 0.00 52.86 52.93 3he3 s ASN 372 Cb -0.12 -1.37 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 3he3 s ASN 372 CO 0.02 -3.02 1.77 0.24 -1.51 0.00 0.00 177.10 174.60 3he3 h MET 373 N -1.82 0.27 0.00 -0.60 2.86 -1.93 -1.90 114.93 111.80 3he3 h MET 373 Ca -0.50 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.10 3he3 h MET 373 Cb 1.32 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 3he3 h MET 373 CO 0.54 0.18 -0.13 0.38 1.06 0.00 0.00 176.91 178.93 3he3 h ASP 374 N 0.27 0.00 -0.07 1.22 -0.00 -1.94 -1.35 116.42 114.56 3he3 h ASP 374 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.94 3he3 h ASP 374 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.39 3he3 h ASP 374 CO -0.09 0.13 -0.75 1.56 -0.00 0.00 0.00 179.24 180.09 3he3 h GLN 375 N 0.00 0.64 -0.71 4.15 4.20 -1.75 -2.09 115.11 119.55 3he3 h GLN 375 Ca -0.00 -0.59 -0.05 0.00 0.06 0.00 0.00 58.65 58.07 3he3 h GLN 375 Cb 0.28 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3he3 h GLN 375 CO 0.02 1.20 0.24 0.28 -0.67 0.00 0.00 178.83 179.89 3he3 h VAL 376 N 0.28 1.25 -0.40 -0.54 2.07 -0.87 -0.62 116.25 117.43 3he3 h VAL 376 Ca -0.07 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3he3 h VAL 376 Cb 1.40 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3he3 h VAL 376 CO 0.15 0.33 0.18 0.58 0.02 0.00 0.00 177.57 178.83 3he3 h VAL 377 N 1.04 1.18 -0.17 2.57 2.07 -1.26 -0.57 116.25 121.10 3he3 h VAL 377 Ca 0.23 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3he3 h VAL 377 Cb 0.26 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3he3 h VAL 377 CO -0.01 0.20 0.10 0.00 0.02 0.00 0.00 177.57 177.87 3he3 h ALA 378 N 1.03 0.22 -0.91 1.67 0.00 -1.14 -0.50 119.26 119.63 3he3 h ALA 378 Ca 0.14 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3he3 h ALA 378 Cb 0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3he3 h ALA 378 CO -0.02 -0.25 0.59 0.37 0.00 0.00 0.00 179.25 179.94 3he3 h GLN 379 N 0.18 0.94 -0.22 0.00 4.15 -0.95 -0.98 115.11 118.24 3he3 h GLN 379 Ca 0.06 -0.06 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 3he3 h GLN 379 Cb 0.06 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3he3 h GLN 379 CO -0.01 0.62 -0.62 0.00 -1.93 0.00 0.00 178.83 176.89 3he3 h ALA 380 N 1.53 0.48 -0.66 3.38 0.00 -0.67 -1.81 119.26 121.51 3he3 h ALA 380 Ca 0.41 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3he3 h ALA 380 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3he3 h ALA 380 CO -0.17 0.69 0.11 -0.07 0.00 0.00 0.00 179.25 179.81 3he3 h LEU 381 N 0.57 1.04 -0.34 0.00 3.38 -0.42 -1.23 115.31 118.30 3he3 h LEU 381 Ca -0.01 -0.24 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 3he3 h LEU 381 Cb 1.22 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3he3 h LEU 381 CO 0.13 1.03 -0.65 0.00 0.09 0.00 0.00 178.44 179.04 3he3 h ALA 382 N 1.09 0.51 -0.49 1.53 0.00 -1.18 -2.53 119.26 118.19 3he3 h ALA 382 Ca 0.20 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3he3 h ALA 382 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3he3 h ALA 382 CO 0.01 0.70 0.25 1.15 0.00 0.00 0.00 179.25 181.36 3he3 h THR 383 N 0.50 1.16 -0.54 0.00 2.02 -1.19 -1.48 112.91 113.38 3he3 h THR 383 Ca -0.02 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 3he3 h THR 383 Cb 1.24 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3he3 h THR 383 CO 0.13 0.18 0.10 0.15 0.37 0.00 0.00 175.52 176.46 3he3 h PHE 384 N 0.68 0.94 -0.03 3.16 3.57 -1.01 -2.05 116.94 122.20 3he3 h PHE 384 Ca 0.17 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3he3 h PHE 384 Cb 0.06 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3he3 h PHE 384 CO 0.00 0.83 -0.14 0.00 -2.23 0.00 0.00 178.31 176.78 3he3 h ARG 385 N 0.78 -0.21 -0.82 1.11 3.08 -0.93 -1.86 114.38 115.53 3he3 h ARG 385 Ca 0.17 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.38 3he3 h ARG 385 Cb 0.39 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 3he3 h ARG 385 CO 0.01 -0.14 0.54 0.00 -1.07 0.00 0.00 179.97 179.31 3he3 h ARG 386 N -0.22 0.52 -0.31 0.04 3.08 -1.14 -1.40 114.38 114.95 3he3 h ARG 386 Ca 0.06 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 3he3 h ARG 386 Cb 0.29 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3he3 h ARG 386 CO -0.16 0.35 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.55 3he3 h LEU 387 N 0.54 0.91 -1.03 3.04 4.07 -0.65 -2.81 115.31 119.38 3he3 h LEU 387 Ca 0.41 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3he3 h LEU 387 Cb 0.80 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.28 3he3 h LEU 387 CO -0.16 1.23 0.00 1.56 -1.08 0.00 0.00 178.44 180.00 3he3 h GLN 388 N 0.66 0.00 -5.30 1.13 1.08 -0.65 -3.48 115.11 108.56 3he3 h GLN 388 Ca 0.04 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.00 3he3 h GLN 388 Cb 1.06 0.00 0.19 0.00 -0.05 0.00 0.00 27.48 28.67 3he3 h GLN 388 CO 0.11 0.00 -0.80 0.41 -0.95 0.00 0.00 178.83 177.59 3he3 n GLY 389 N 0.34 -1.03 0.32 3.46 0.00 -0.60 -5.11 105.19 102.58 3he3 n GLY 389 Ca 0.02 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.60 3he3 n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93