#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he3 s GLU 26 N 0.00 2.00 0.20 3.69 2.12 -1.26 -5.09 118.70 120.36 3he3 s GLU 26 Ca 0.00 -1.94 -0.32 0.00 0.36 0.00 0.00 54.97 53.07 3he3 s GLU 26 Cb 0.00 -1.78 -0.14 0.00 0.26 0.00 0.00 34.13 32.47 3he3 s GLU 26 CO 0.00 0.03 1.42 0.45 -0.54 0.00 0.00 175.26 176.62 3he3 n SER 27 N -0.97 2.60 -0.06 -1.70 2.88 -1.26 -4.93 113.62 110.19 3he3 n SER 27 Ca -0.04 1.13 -0.15 0.00 -1.33 0.00 0.00 58.87 58.47 3he3 n SER 27 Cb 0.65 -1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 62.68 3he3 n SER 27 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3he3 h LYS 28 N 4.55 0.84 0.00 -1.46 1.57 -1.98 -3.45 116.57 116.63 3he3 h LYS 28 Ca -0.45 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 57.76 3he3 h LYS 28 Cb 1.28 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3he3 h LYS 28 CO 0.78 1.20 0.00 0.41 -0.57 0.00 0.00 179.45 181.27 3he3 n GLY 29 N 0.44 1.47 3.75 3.86 0.00 -1.25 -3.45 105.19 110.02 3he3 n GLY 29 Ca -0.05 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 3.67 0.38 1.61 0.40 0.36 -4.88 117.98 119.52 3he3 s PHE 30 Ca 0.00 1.74 0.07 0.00 -0.60 0.00 0.00 56.93 58.14 3he3 s PHE 30 Cb 0.00 -3.22 0.76 0.00 0.51 0.00 0.00 43.02 41.07 3he3 s PHE 30 CO 0.00 -0.33 1.95 -0.44 0.70 0.00 0.00 175.22 177.09 3he3 h ASP 31 N 4.05 0.38 -3.63 1.36 3.32 -1.63 -0.38 116.42 119.89 3he3 h ASP 31 Ca -0.46 -0.05 -0.26 0.00 0.02 0.00 0.00 57.03 56.28 3he3 h ASP 31 Cb 1.21 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.36 3he3 h ASP 31 CO 0.68 0.42 -0.71 -0.31 -1.72 0.00 0.00 179.24 177.60 3he3 s TYR 32 N -5.03 -0.01 -0.20 4.55 2.02 -0.96 -2.40 117.35 115.32 3he3 s TYR 32 Ca -0.07 0.11 -0.05 0.00 -0.37 0.00 0.00 57.07 56.69 3he3 s TYR 32 Cb 0.16 -0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.60 3he3 s TYR 32 CO 0.74 -0.05 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.49 3he3 s LEU 33 N 0.51 3.21 -0.24 -1.29 2.96 0.03 -1.68 118.68 122.18 3he3 s LEU 33 Ca -0.04 -0.22 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3he3 s LEU 33 Cb -0.06 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3he3 s LEU 33 CO -0.02 0.05 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.42 3he3 s ILE 34 N 1.05 3.39 -0.35 6.68 1.01 0.09 -0.71 121.20 132.37 3he3 s ILE 34 Ca 0.02 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 3he3 s ILE 34 Cb -0.14 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3he3 s ILE 34 CO 0.01 0.32 0.61 -0.69 0.00 0.00 0.00 174.94 175.20 3he3 s VAL 35 N 1.46 4.91 0.00 2.92 1.01 0.49 0.09 120.40 131.27 3he3 s VAL 35 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3he3 s VAL 35 Cb -0.15 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3he3 s VAL 35 CO -0.02 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.40 3he3 n GLY 36 N 4.67 2.29 1.20 4.51 0.00 0.22 -1.83 105.19 116.24 3he3 n GLY 36 Ca -0.02 -1.31 0.02 0.00 0.00 0.00 0.00 46.02 44.71 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 2.10 3.70 -1.00 4.61 0.00 -1.26 -4.01 120.51 124.65 3he3 n ALA 37 Ca 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.88 3he3 n ALA 37 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.63 -1.30 0.26 0.00 0.00 -1.26 -1.01 105.19 101.25 3he3 n GLY 38 Ca 0.29 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.61 0.49 0.43 1.61 -1.00 -1.94 -0.41 116.94 115.52 3he3 h PHE 39 Ca 0.00 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 3he3 h PHE 39 Cb 0.00 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.44 3he3 h PHE 39 CO 0.00 0.11 -0.25 0.00 -1.61 0.00 0.00 178.31 176.56 3he3 h ALA 40 N 1.48 -0.64 -0.37 2.45 0.00 -1.92 -1.40 119.26 118.87 3he3 h ALA 40 Ca 0.36 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3he3 h ALA 40 Cb 0.49 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3he3 h ALA 40 CO -0.34 -0.87 -0.26 0.78 0.00 0.00 0.00 179.25 178.56 3he3 h GLY 41 N -0.64 0.90 1.13 0.00 0.00 -1.66 -3.07 103.07 99.73 3he3 h GLY 41 Ca -0.05 -0.86 -0.16 0.00 0.00 0.00 0.00 47.33 46.26 3he3 h GLY 41 CO 0.06 0.78 -0.41 1.76 0.00 0.00 0.00 176.54 178.73 3he3 h SER 42 N 0.62 1.00 -0.14 0.19 0.02 -1.05 0.19 113.55 114.39 3he3 h SER 42 Ca 0.07 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3he3 h SER 42 Cb 0.83 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3he3 h SER 42 CO 0.07 1.28 0.07 0.58 -1.14 0.00 0.00 176.83 177.68 3he3 h VAL 43 N 0.75 1.12 -0.80 2.27 2.07 -1.34 0.06 116.25 120.37 3he3 h VAL 43 Ca 0.05 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3he3 h VAL 43 Cb 1.01 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3he3 h VAL 43 CO 0.10 0.11 0.39 -0.07 0.02 0.00 0.00 177.57 178.11 3he3 h LEU 44 N 0.10 1.05 -0.55 2.57 3.38 -1.45 -1.23 115.31 119.18 3he3 h LEU 44 Ca 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3he3 h LEU 44 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3he3 h LEU 44 CO -0.01 0.88 0.22 0.00 0.09 0.00 0.00 178.44 179.63 3he3 h ALA 45 N 1.28 0.72 -0.06 1.53 0.00 -0.39 0.15 119.26 122.48 3he3 h ALA 45 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3he3 h ALA 45 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3he3 h ALA 45 CO -0.04 0.33 0.03 1.49 0.00 0.00 0.00 179.25 181.06 3he3 h GLU 46 N 0.75 0.09 0.65 0.00 4.22 -0.65 -0.42 114.58 119.23 3he3 h GLU 46 Ca 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.58 3he3 h GLU 46 Cb 0.20 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3he3 h GLU 46 CO -0.02 0.20 -0.31 0.00 -2.18 0.00 0.00 179.01 176.70 3he3 h ARG 47 N -0.04 -0.85 -0.83 1.92 2.47 -1.15 -1.47 114.38 114.44 3he3 h ARG 47 Ca 0.02 0.06 0.17 0.00 -1.26 0.00 0.00 59.98 58.97 3he3 h ARG 47 Cb 0.14 0.19 -0.10 0.00 -1.65 0.00 0.00 29.97 28.55 3he3 h ARG 47 CO -0.00 -0.54 0.38 -0.07 0.56 0.00 0.00 179.97 180.30 3he3 h LEU 48 N -0.96 0.39 -0.30 3.04 4.07 -0.70 -1.81 115.31 119.03 3he3 h LEU 48 Ca -0.09 0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.92 3he3 h LEU 48 Cb 0.70 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 3he3 h LEU 48 CO 0.15 0.12 -0.08 0.00 -1.08 0.00 0.00 178.44 177.55 3he3 h ALA 49 N 1.60 0.42 0.00 1.53 0.00 -0.99 -2.25 119.26 119.57 3he3 h ALA 49 Ca 0.48 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3he3 h ALA 49 Cb 0.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3he3 h ALA 49 CO -0.43 0.25 -0.02 0.66 0.00 0.00 0.00 179.25 179.71 3he3 h SER 50 N 0.36 0.00 -0.59 0.00 4.64 -0.44 0.91 113.55 118.43 3he3 h SER 50 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3he3 h SER 50 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3he3 h SER 50 CO 0.03 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 3he3 n SER 51 N -3.33 3.18 0.00 4.97 3.41 -0.89 -4.94 113.62 116.03 3he3 n SER 51 Ca -0.02 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3he3 n SER 51 Cb 0.13 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.44 0.87 3.81 5.00 0.00 0.32 -5.07 105.19 111.56 3he3 n GLY 52 Ca 0.20 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 4.25 -0.25 1.61 -1.52 -0.88 -5.02 119.66 117.12 3he3 s GLN 53 Ca 0.00 0.87 -0.25 0.00 -1.95 0.00 0.00 55.36 54.03 3he3 s GLN 53 Cb 0.00 -2.87 -0.00 0.00 -0.22 0.00 0.00 33.01 29.91 3he3 s GLN 53 CO 0.00 0.39 0.85 1.03 -0.25 0.00 0.00 175.29 177.31 3he3 s ARG 54 N -1.99 4.17 -0.12 2.91 0.52 -1.26 -4.26 118.95 118.93 3he3 s ARG 54 Ca 0.43 0.96 0.02 0.00 -0.52 0.00 0.00 55.73 56.62 3he3 s ARG 54 Cb -0.17 -3.65 -0.00 0.00 0.52 0.00 0.00 34.95 31.65 3he3 s ARG 54 CO 0.21 -0.55 -0.19 0.08 0.02 0.00 0.00 175.30 174.87 3he3 s VAL 55 N 2.90 2.46 -0.34 3.52 1.01 -0.30 -1.70 120.40 127.95 3he3 s VAL 55 Ca 0.36 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3he3 s VAL 55 Cb -0.15 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3he3 s VAL 55 CO 0.08 0.54 0.14 -0.22 0.00 0.00 0.00 175.10 175.64 3he3 s LEU 56 N 0.46 4.35 -0.20 3.92 2.96 -0.67 -0.06 118.68 129.44 3he3 s LEU 56 Ca -0.13 -0.94 -0.10 0.00 -0.22 0.00 0.00 54.13 52.73 3he3 s LEU 56 Cb -0.17 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 3he3 s LEU 56 CO 0.06 -0.31 0.13 -0.51 -1.32 0.00 0.00 176.35 174.39 3he3 s ILE 57 N 1.50 5.38 -0.04 6.68 2.07 0.12 -0.73 121.20 136.18 3he3 s ILE 57 Ca 0.01 0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.47 3he3 s ILE 57 Cb -0.19 -3.45 -0.01 0.00 0.13 0.00 0.00 42.46 38.94 3he3 s ILE 57 CO 0.04 0.44 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.65 3he3 s VAL 58 N 0.37 1.41 -0.06 4.00 1.01 0.11 -0.27 120.40 126.98 3he3 s VAL 58 Ca 0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3he3 s VAL 58 Cb -0.11 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3he3 s VAL 58 CO -0.02 0.41 0.15 -0.62 0.00 0.00 0.00 175.10 175.02 3he3 s ASP 59 N -0.06 -0.15 0.00 3.32 -1.08 -0.58 0.69 116.67 118.82 3he3 s ASP 59 Ca -0.01 0.30 0.22 0.00 -0.52 0.00 0.00 52.55 52.53 3he3 s ASP 59 Cb -0.10 0.28 0.94 0.00 -1.46 0.00 0.00 42.92 42.58 3he3 s ASP 59 CO 0.01 -0.07 1.69 -2.11 0.52 0.00 0.00 175.17 175.22 3he3 n ARG 60 N 3.21 0.04 -2.75 4.34 1.85 -1.12 -1.18 116.66 121.05 3he3 n ARG 60 Ca -0.15 0.12 -0.28 0.00 -1.00 0.00 0.00 57.85 56.54 3he3 n ARG 60 Cb 0.58 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.48 3he3 n ARG 60 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3he3 s ARG 61 N -2.95 3.62 0.00 2.89 0.52 -1.26 -3.94 118.95 117.83 3he3 s ARG 61 Ca 0.12 0.27 0.22 0.00 -0.52 0.00 0.00 55.73 55.81 3he3 s ARG 61 Cb 0.14 -2.40 1.32 0.00 0.52 0.00 0.00 34.95 34.54 3he3 s ARG 61 CO 0.39 -0.13 1.75 -2.30 0.02 0.00 0.00 175.30 175.03 3he3 n PRO 62 N -1.89 0.81 -4.15 3.54 -0.02 -1.26 -1.35 135.00 130.68 3he3 n PRO 62 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.38 3he3 n PRO 62 Cb 0.55 -1.43 -0.09 0.00 -0.02 0.00 0.00 33.50 32.51 3he3 n PRO 62 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3he3 s HIS 63 N -2.00 0.96 0.61 6.00 -3.43 -1.26 -4.84 115.29 111.33 3he3 s HIS 63 Ca 0.33 -1.23 -0.00 0.00 -0.80 0.00 0.00 55.06 53.36 3he3 s HIS 63 Cb 0.15 -0.41 0.06 0.00 -1.43 0.00 0.00 32.58 30.95 3he3 s HIS 63 CO 0.26 -0.69 0.85 0.96 -2.00 0.00 0.00 174.74 174.12 3he3 s ILE 64 N -4.12 2.51 0.00 -5.38 -4.36 -1.26 -4.70 121.20 103.89 3he3 s ILE 64 Ca 0.34 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.13 3he3 s ILE 64 Cb 0.06 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.85 3he3 s ILE 64 CO 0.10 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.89 3he3 n GLY 65 N -2.52 0.55 7.00 6.27 0.00 -0.18 -4.61 105.19 111.70 3he3 n GLY 65 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.90 0.30 -0.02 0.00 -1.25 -1.68 105.19 103.43 3he3 n GLY 66 Ca 0.00 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 5.98 0.00 0.06 1.61 2.35 -1.96 -2.92 115.58 120.70 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 0.04 -0.05 0.00 -1.65 0.00 0.00 177.43 175.77 3he3 n ALA 68 N -2.17 2.68 -1.67 -0.83 0.00 -0.68 -4.49 120.51 113.37 3he3 n ALA 68 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3he3 n ALA 68 Cb 0.19 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 3he3 n ALA 68 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3he3 n TYR 69 N -0.24 1.88 -4.15 0.00 9.36 -1.11 -4.62 117.16 118.29 3he3 n TYR 69 Ca 0.18 0.57 -0.10 0.00 3.32 0.00 0.00 57.90 61.87 3he3 n TYR 69 Cb 0.31 -2.35 -0.10 0.00 -0.63 0.00 0.00 39.34 36.57 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 -0.48 0.75 0.04 2.98 3.84 -1.26 -4.00 116.67 118.54 3he3 s ASP 70 Ca 0.58 -1.07 -0.27 0.00 -0.00 0.00 0.00 52.55 51.79 3he3 s ASP 70 Cb -0.57 0.18 0.09 0.00 -1.38 0.00 0.00 42.92 41.24 3he3 s ASP 70 CO 0.60 -0.58 0.84 0.00 -0.00 0.00 0.00 175.17 176.02 3he3 s TYR 72 N -3.25 3.67 0.42 0.00 2.02 -1.26 -1.23 117.35 117.72 3he3 s TYR 72 Ca 0.05 1.59 -0.06 0.00 -0.37 0.00 0.00 57.07 58.29 3he3 s TYR 72 Cb -0.01 -3.01 0.09 0.00 -0.40 0.00 0.00 41.96 38.63 3he3 s TYR 72 CO -0.09 0.07 0.57 -0.40 -1.57 0.00 0.00 175.55 174.13 3he3 n ASP 73 N 3.62 0.21 -0.05 2.29 5.68 -0.19 -4.86 116.55 123.24 3he3 n ASP 73 Ca 0.03 -1.31 0.10 0.00 -0.50 0.00 0.00 54.79 53.11 3he3 n ASP 73 Cb 0.51 -0.42 0.49 0.00 -1.14 0.00 0.00 41.12 40.56 3he3 n ASP 73 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3he3 h ASP 74 N -0.66 0.37 1.53 -1.12 3.32 -1.97 -1.30 116.42 116.59 3he3 h ASP 74 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3he3 h ASP 74 Cb 0.55 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3he3 h ASP 74 CO 0.15 0.24 -0.02 0.00 -1.72 0.00 0.00 179.24 177.88 3he3 h ALA 75 N 1.72 0.99 0.00 3.45 0.00 -2.02 -3.46 119.26 119.93 3he3 h ALA 75 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3he3 h ALA 75 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3he3 h ALA 75 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3he3 n GLY 76 N 1.28 0.95 3.78 0.00 0.00 -0.49 -5.03 105.19 105.68 3he3 n GLY 76 Ca 0.05 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3he3 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3he3 s VAL 77 N -2.00 5.32 -0.18 1.61 1.01 -1.26 -4.81 120.40 120.09 3he3 s VAL 77 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 3he3 s VAL 77 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3he3 s VAL 77 CO 0.00 0.48 1.33 -0.22 0.00 0.00 0.00 175.10 176.68 3he3 s LEU 78 N -0.12 4.13 0.17 3.92 2.96 -1.26 -1.03 118.68 127.45 3he3 s LEU 78 Ca 0.16 1.67 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 3he3 s LEU 78 Cb -0.13 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 3he3 s LEU 78 CO 0.05 -0.85 -0.07 0.27 -1.32 0.00 0.00 176.35 174.42 3he3 s ILE 79 N 3.78 1.09 -0.40 6.68 -4.36 -0.37 -4.72 121.20 122.90 3he3 s ILE 79 Ca 0.58 -2.05 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 3he3 s ILE 79 Cb -0.22 -1.97 0.03 0.00 1.25 0.00 0.00 42.46 41.55 3he3 s ILE 79 CO 0.18 -0.64 0.26 -1.00 0.24 0.00 0.00 174.94 173.98 3he3 s HIS 80 N -3.38 3.25 0.60 1.37 3.76 -1.26 -1.85 115.29 117.77 3he3 s HIS 80 Ca 0.20 -0.88 0.30 0.00 -0.15 0.00 0.00 55.06 54.52 3he3 s HIS 80 Cb 0.04 -2.58 1.67 0.00 1.11 0.00 0.00 32.58 32.81 3he3 s HIS 80 CO 0.02 -0.66 2.07 -1.35 -0.85 0.00 0.00 174.74 173.98 3he3 h PRO 81 N 8.53 0.00 -0.65 8.40 0.11 -1.91 -2.88 132.00 143.60 3he3 h PRO 81 Ca -0.26 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.40 3he3 h PRO 81 Cb 1.11 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.92 3he3 h PRO 81 CO 0.71 0.00 -0.28 0.66 -0.21 0.00 0.00 178.00 178.88 3he3 n TYR 82 N -3.69 2.24 0.00 0.65 4.02 -1.26 -4.93 117.16 114.20 3he3 n TYR 82 Ca 0.02 -2.18 0.00 0.00 -0.01 0.00 0.00 57.90 55.73 3he3 n TYR 82 Cb 0.36 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 -0.89 -0.00 3.72 2.72 0.00 -1.09 -4.94 105.19 104.70 3he3 n GLY 83 Ca 0.43 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.68 4.29 -0.39 1.61 0.04 -1.26 -4.71 135.00 131.90 3he3 s PRO 84 Ca 0.00 2.15 0.04 0.00 0.04 0.00 0.00 61.00 63.23 3he3 s PRO 84 Cb 0.00 -3.24 0.11 0.00 0.04 0.00 0.00 34.50 31.41 3he3 s PRO 84 CO 0.00 -0.49 0.11 -1.01 0.04 0.00 0.00 177.00 175.65 3he3 s HIS 85 N 1.17 3.51 -0.24 0.56 3.76 -1.26 -5.09 115.29 117.70 3he3 s HIS 85 Ca 0.66 -3.00 -0.14 0.00 -0.15 0.00 0.00 55.06 52.44 3he3 s HIS 85 Cb -0.39 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 3he3 s HIS 85 CO 0.30 -0.89 0.32 0.42 -0.85 0.00 0.00 174.74 174.04 3he3 s ILE 86 N 0.60 5.24 0.11 0.60 1.09 -1.26 -5.06 121.20 122.52 3he3 s ILE 86 Ca 0.13 0.50 -0.24 0.00 -1.10 0.00 0.00 60.65 59.94 3he3 s ILE 86 Cb -0.21 -3.65 -0.07 0.00 -1.06 0.00 0.00 42.46 37.47 3he3 s ILE 86 CO -0.06 0.24 0.72 0.12 -0.10 0.00 0.00 174.94 175.85 3he3 s PHE 87 N 1.53 3.83 -0.19 3.97 5.36 -1.26 -4.97 117.98 126.25 3he3 s PHE 87 Ca 0.14 1.49 -0.28 0.00 -0.96 0.00 0.00 56.93 57.32 3he3 s PHE 87 Cb -0.15 -2.71 0.09 0.00 -0.34 0.00 0.00 43.02 39.91 3he3 s PHE 87 CO 0.08 0.46 0.81 -3.38 -1.46 0.00 0.00 175.22 171.73 3he3 s HIS 88 N -0.82 -0.63 -0.03 10.12 -3.43 -1.26 -3.25 115.29 116.00 3he3 s HIS 88 Ca 0.35 1.35 -0.30 0.00 -0.80 0.00 0.00 55.06 55.65 3he3 s HIS 88 Cb -0.21 0.36 0.07 0.00 -1.43 0.00 0.00 32.58 31.36 3he3 s HIS 88 CO 0.23 -0.42 0.68 -0.08 -2.00 0.00 0.00 174.74 173.15 3he3 s THR 89 N -0.35 0.00 -1.67 -5.38 -1.32 -0.55 -4.47 115.64 101.90 3he3 s THR 89 Ca -0.03 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.69 3he3 s THR 89 Cb -0.03 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.02 3he3 s THR 89 CO 0.03 0.00 1.27 0.59 -2.21 0.00 0.00 174.62 174.30 3he3 n ASN 90 N 0.78 1.34 -4.56 8.08 3.02 -1.26 -1.23 115.26 121.43 3he3 n ASN 90 Ca -0.19 -1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 52.87 3he3 n ASN 90 Cb 0.58 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 40.09 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 -2.62 6.46 0.36 6.41 0.15 -1.26 -4.83 113.70 118.37 3he3 s SER 91 Ca 0.18 0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.98 3he3 s SER 91 Cb 0.18 -2.37 0.67 0.00 -1.71 0.00 0.00 66.02 62.79 3he3 s SER 91 CO 0.61 -0.76 2.00 0.50 1.20 0.00 0.00 173.24 176.79 3he3 h LYS 92 N 8.65 0.74 -0.21 5.44 3.64 -1.99 -2.26 116.57 130.57 3he3 h LYS 92 Ca -0.25 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.02 3he3 h LYS 92 Cb 1.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3he3 h LYS 92 CO 0.91 0.52 -0.05 -0.44 -2.27 0.00 0.00 179.45 178.12 3he3 h ASP 93 N 0.75 0.41 -0.06 4.20 3.32 -1.99 -0.68 116.42 122.37 3he3 h ASP 93 Ca 0.20 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3he3 h ASP 93 Cb -0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3he3 h ASP 93 CO -0.04 0.68 0.03 0.58 -1.72 0.00 0.00 179.24 178.77 3he3 h VAL 94 N 0.14 0.99 -0.26 -1.35 2.07 -1.92 -1.54 116.25 114.38 3he3 h VAL 94 Ca 0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3he3 h VAL 94 Cb 0.50 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3he3 h VAL 94 CO 0.02 0.01 0.16 0.15 0.02 0.00 0.00 177.57 177.94 3he3 h PHE 95 N 0.06 0.33 -0.21 1.57 3.04 -1.33 -1.50 116.94 118.91 3he3 h PHE 95 Ca 0.02 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 3he3 h PHE 95 Cb 0.01 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3he3 h PHE 95 CO -0.09 0.23 -0.22 0.93 -2.02 0.00 0.00 178.31 177.15 3he3 h GLU 96 N 0.34 0.37 0.28 1.11 5.08 -1.09 -1.26 114.58 119.41 3he3 h GLU 96 Ca 0.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3he3 h GLU 96 Cb -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3he3 h GLU 96 CO -0.02 0.58 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.52 3he3 h TYR 97 N 0.34 -0.34 -0.18 4.33 3.20 -0.90 -2.72 116.97 120.70 3he3 h TYR 97 Ca 0.06 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3he3 h TYR 97 Cb 0.58 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3he3 h TYR 97 CO 0.01 -0.13 0.12 -0.07 -1.64 0.00 0.00 178.16 176.46 3he3 h LEU 98 N -0.49 0.16 -0.16 2.82 4.07 -1.16 -1.19 115.31 119.36 3he3 h LEU 98 Ca -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3he3 h LEU 98 Cb 0.37 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3he3 h LEU 98 CO 0.06 0.12 0.00 -1.20 -1.08 0.00 0.00 178.44 176.34 3he3 n SER 99 N -4.51 0.07 0.07 -0.43 7.64 -0.49 -0.94 113.62 115.03 3he3 n SER 99 Ca -0.00 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.54 3he3 n SER 99 Cb 0.11 -0.54 0.48 0.00 -1.01 0.00 0.00 64.21 63.25 3he3 n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3he3 n ARG 100 N -1.59 0.15 0.00 1.43 1.74 -0.45 -4.01 116.66 113.93 3he3 n ARG 100 Ca 0.00 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3he3 n ARG 100 Cb 0.04 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 3he3 n ARG 100 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3he3 n PHE 101 N -1.96 0.00 -3.48 -1.55 3.01 -0.12 -5.04 117.46 108.33 3he3 n PHE 101 Ca 0.06 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.36 3he3 n PHE 101 Cb 0.36 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.79 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 -0.29 0.00 0.51 4.37 -1.32 -1.13 -4.41 115.64 113.37 3he3 s THR 102 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 3he3 s THR 102 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 3he3 s THR 102 CO 0.00 0.00 0.71 -1.61 -2.21 0.00 0.00 174.62 171.51 3he3 s GLU 103 N -2.36 2.54 0.06 7.08 2.02 -1.26 -4.49 118.70 122.29 3he3 s GLU 103 Ca -0.05 -1.17 0.08 0.00 0.02 0.00 0.00 54.97 53.85 3he3 s GLU 103 Cb -0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 3he3 s GLU 103 CO -0.01 -0.62 -0.23 -1.58 0.02 0.00 0.00 175.26 172.85 3he3 s TRP 104 N -2.60 1.96 -0.30 1.61 0.52 -1.26 0.02 118.94 118.90 3he3 s TRP 104 Ca 0.58 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 56.28 3he3 s TRP 104 Cb -0.09 -1.14 0.04 0.00 -1.15 0.00 0.00 33.47 31.13 3he3 s TRP 104 CO 0.37 0.14 0.01 0.50 0.02 0.00 0.00 176.95 177.99 3he3 s ARG 105 N -1.41 2.57 0.18 4.98 3.52 0.12 -4.72 118.95 124.19 3he3 s ARG 105 Ca 0.09 -1.17 -0.33 0.00 -0.13 0.00 0.00 55.73 54.18 3he3 s ARG 105 Cb -0.09 -3.20 -0.14 0.00 -1.56 0.00 0.00 34.95 29.96 3he3 s ARG 105 CO 0.03 -0.58 1.54 -2.30 -0.81 0.00 0.00 175.30 173.18 3he3 n PRO 106 N 4.68 2.12 -3.66 5.12 -0.02 -1.26 -0.54 135.00 141.44 3he3 n PRO 106 Ca -0.14 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3he3 n PRO 106 Cb 0.44 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.71 -0.88 -0.37 6.00 5.04 -1.04 -4.85 117.35 121.95 3he3 s TYR 107 Ca 0.77 1.84 0.04 0.00 -2.44 0.00 0.00 57.07 57.27 3he3 s TYR 107 Cb -0.68 0.47 0.11 0.00 0.35 0.00 0.00 41.96 42.21 3he3 s TYR 107 CO 0.40 -0.45 0.09 -0.65 -1.34 0.00 0.00 175.55 173.61 3he3 s GLN 108 N 1.32 1.52 0.30 4.97 -0.21 -1.26 -3.94 119.66 122.36 3he3 s GLN 108 Ca -0.08 -1.97 -0.29 0.00 0.02 0.00 0.00 55.36 53.05 3he3 s GLN 108 Cb -0.06 -3.14 -0.13 0.00 1.00 0.00 0.00 33.01 30.68 3he3 s GLN 108 CO -0.14 -0.98 1.21 1.58 -2.12 0.00 0.00 175.29 174.84 3he3 n HIS 109 N 4.07 1.88 -4.23 0.91 -0.00 -1.26 -4.88 115.22 111.71 3he3 n HIS 109 Ca 0.04 0.59 -0.19 0.00 -0.00 0.00 0.00 57.72 58.16 3he3 n HIS 109 Cb 0.40 -2.36 -0.15 0.00 -0.00 0.00 0.00 29.99 27.88 3he3 n HIS 109 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3he3 s ARG 110 N -1.48 0.73 0.00 1.57 0.52 -1.26 -1.55 118.95 117.47 3he3 s ARG 110 Ca 0.59 -0.19 0.08 0.00 -0.52 0.00 0.00 55.73 55.70 3he3 s ARG 110 Cb -0.64 -0.71 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 3he3 s ARG 110 CO 0.59 0.04 -0.26 0.08 0.02 0.00 0.00 175.30 175.77 3he3 s VAL 111 N 0.38 2.06 -0.01 3.52 1.01 -1.26 -3.57 120.40 122.53 3he3 s VAL 111 Ca -0.05 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 60.79 3he3 s VAL 111 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3he3 s VAL 111 CO 0.00 0.50 -0.16 -0.76 0.00 0.00 0.00 175.10 174.67 3he3 s LEU 112 N -0.82 2.64 -0.17 3.92 1.02 -1.01 -2.78 118.68 121.47 3he3 s LEU 112 Ca 0.10 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.90 3he3 s LEU 112 Cb -0.10 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.55 3he3 s LEU 112 CO 0.00 0.30 -0.02 0.00 0.02 0.00 0.00 176.35 176.65 3he3 s ALA 113 N -0.81 3.01 -0.74 4.21 0.00 0.12 -0.20 121.76 127.34 3he3 s ALA 113 Ca 0.13 -0.89 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 3he3 s ALA 113 Cb -0.11 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.40 3he3 s ALA 113 CO 0.03 0.07 1.35 0.45 0.00 0.00 0.00 175.76 177.66 3he3 s SER 114 N 0.62 6.07 -0.03 0.00 0.15 -0.17 -1.55 113.70 118.79 3he3 s SER 114 Ca -0.02 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3he3 s SER 114 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 3he3 s SER 114 CO 0.02 -1.89 -0.10 -0.69 1.20 0.00 0.00 173.24 171.78 3he3 s VAL 115 N 6.10 0.87 -1.54 4.45 1.01 0.16 -4.42 120.40 127.02 3he3 s VAL 115 Ca 0.39 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3he3 s VAL 115 Cb -0.08 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3he3 s VAL 115 CO 0.15 0.27 0.18 0.47 0.00 0.00 0.00 175.10 176.17 3he3 n ASP 116 N 3.37 0.27 0.00 3.32 8.00 -1.26 0.19 116.55 130.45 3he3 n ASP 116 Ca -0.19 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3he3 n ASP 116 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 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 -2.28 0.35 3.60 0.44 0.00 -1.26 -4.97 105.19 101.08 3he3 n GLY 117 Ca -0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.77 2.17 -0.56 1.61 -0.21 0.13 -5.09 119.66 116.94 3he3 s GLN 118 Ca 0.00 -1.29 -0.13 0.00 0.02 0.00 0.00 55.36 53.96 3he3 s GLN 118 Cb 0.00 -2.19 0.14 0.00 1.00 0.00 0.00 33.01 31.96 3he3 s GLN 118 CO 0.00 0.42 0.49 -0.51 -2.12 0.00 0.00 175.29 173.57 3he3 s LEU 119 N -3.08 6.10 0.11 2.90 1.43 -1.26 -0.66 118.68 124.23 3he3 s LEU 119 Ca 0.27 -1.98 0.02 0.00 -1.03 0.00 0.00 54.13 51.41 3he3 s LEU 119 Cb -0.08 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3he3 s LEU 119 CO 0.17 -0.76 0.21 -0.76 0.23 0.00 0.00 176.35 175.44 3he3 s LEU 120 N 1.28 4.19 0.36 1.79 2.01 -0.59 -4.80 118.68 122.92 3he3 s LEU 120 Ca 0.06 0.13 -0.28 0.00 0.01 0.00 0.00 54.13 54.05 3he3 s LEU 120 Cb -0.26 -2.79 -0.11 0.00 0.01 0.00 0.00 46.19 43.04 3he3 s LEU 120 CO 0.00 0.11 1.43 -2.84 1.01 0.00 0.00 176.35 176.06 3he3 s PRO 121 N -2.87 4.20 -0.03 1.29 0.02 -1.26 0.10 135.00 136.45 3he3 s PRO 121 Ca 0.33 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3he3 s PRO 121 Cb -0.12 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.42 3he3 s PRO 121 CO 0.27 -0.42 0.00 -1.50 -0.33 0.00 0.00 177.00 175.03 3he3 s ILE 122 N -1.08 0.13 0.51 2.83 1.10 -1.12 -4.02 121.20 119.56 3he3 s ILE 122 Ca 0.52 0.10 -0.21 0.00 -0.51 0.00 0.00 60.65 60.55 3he3 s ILE 122 Cb -0.44 -0.23 -0.08 0.00 0.15 0.00 0.00 42.46 41.86 3he3 s ILE 122 CO 0.59 0.13 0.91 -2.65 -2.11 0.00 0.00 174.94 171.81 3he3 n PRO 123 N 4.10 1.04 -1.68 3.50 -0.02 -1.26 -4.34 135.00 136.35 3he3 n PRO 123 Ca -0.27 0.39 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 3he3 n PRO 123 Cb 0.50 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 3he3 n PRO 123 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3he3 n ILE 124 N -1.15 0.50 -3.80 4.25 5.41 -1.26 -4.86 119.36 118.46 3he3 n ILE 124 Ca 0.11 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3he3 n ILE 124 Cb 0.44 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 3he3 n ILE 124 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3he3 n ASN 125 N 6.20 1.11 -0.11 4.38 0.23 -1.26 -1.56 115.26 124.25 3he3 n ASN 125 Ca 0.20 -0.80 -0.05 0.00 -0.53 0.00 0.00 54.58 53.41 3he3 n ASN 125 Cb 0.33 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.04 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 -0.42 -1.25 -4.53 6.46 -1.29 -1.70 115.31 112.58 3he3 h LEU 126 Ca 0.00 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 3he3 h LEU 126 Cb 0.00 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3he3 h LEU 126 CO 0.00 -0.15 0.00 0.44 -0.62 0.00 0.00 178.44 178.11 3he3 h ASP 127 N -0.03 0.47 0.08 1.25 3.32 -1.94 -2.07 116.42 117.51 3he3 h ASP 127 Ca 0.19 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3he3 h ASP 127 Cb 0.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3he3 h ASP 127 CO -0.41 0.54 -0.04 0.74 -1.72 0.00 0.00 179.24 178.35 3he3 h THR 128 N 0.49 0.93 -0.29 0.35 2.02 -1.61 0.77 112.91 115.55 3he3 h THR 128 Ca 0.11 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3he3 h THR 128 Cb 0.32 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3he3 h THR 128 CO 0.01 0.00 0.03 0.58 0.37 0.00 0.00 175.52 176.51 3he3 h VAL 129 N -0.10 1.24 -0.27 3.16 2.07 -1.39 -1.48 116.25 119.48 3he3 h VAL 129 Ca -0.01 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.67 3he3 h VAL 129 Cb 0.08 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3he3 h VAL 129 CO 0.02 0.28 0.12 0.78 0.02 0.00 0.00 177.57 178.78 3he3 h ASN 130 N 0.31 0.16 0.56 0.57 2.35 -1.23 -2.04 115.58 116.26 3he3 h ASN 130 Ca 0.09 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 3he3 h ASN 130 Cb 0.38 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3he3 h ASN 130 CO 0.01 0.13 -0.72 0.03 -1.65 0.00 0.00 177.43 175.22 3he3 h ARG 131 N 0.26 0.13 -0.24 0.81 3.08 -0.82 0.13 114.38 117.73 3he3 h ARG 131 Ca 0.12 -0.11 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3he3 h ARG 131 Cb 0.06 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3he3 h ARG 131 CO -0.10 0.80 -0.37 1.25 -1.07 0.00 0.00 179.97 180.48 3he3 h LEU 132 N 0.09 0.75 -0.36 3.04 5.85 -1.17 -3.33 115.31 120.18 3he3 h LEU 132 Ca -0.02 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.18 3he3 h LEU 132 Cb 1.28 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3he3 h LEU 132 CO 0.10 1.12 -0.69 -1.22 -0.34 0.00 0.00 178.44 177.41 3he3 n TYR 133 N -4.23 0.00 -2.02 1.25 4.01 -0.78 -4.98 117.16 110.42 3he3 n TYR 133 Ca -0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.63 3he3 n TYR 133 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3he3 n TYR 133 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3he3 n GLY 134 N 1.38 0.20 3.96 2.72 0.00 0.34 -5.04 105.19 108.75 3he3 n GLY 134 Ca 0.05 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.60 2.89 -0.13 0.99 1.43 -0.43 -5.02 118.68 116.81 3he3 s LEU 135 Ca 0.00 -0.05 0.22 0.00 -1.03 0.00 0.00 54.13 53.27 3he3 s LEU 135 Cb 0.00 -2.28 0.46 0.00 0.03 0.00 0.00 46.19 44.40 3he3 s LEU 135 CO 0.00 -2.05 1.16 0.59 0.23 0.00 0.00 176.35 176.28 3he3 n ASN 136 N -3.10 1.55 -4.75 2.29 3.02 -1.26 -4.72 115.26 108.29 3he3 n ASN 136 Ca 0.14 -2.35 -0.36 0.00 -0.03 0.00 0.00 54.58 51.98 3he3 n ASN 136 Cb 0.60 -0.39 0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.84 3.60 0.52 3.41 1.43 -1.26 -5.05 118.68 119.50 3he3 s LEU 137 Ca 0.33 2.41 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 3he3 s LEU 137 Cb 0.37 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 42.02 3he3 s LEU 137 CO -0.10 -1.73 0.73 0.42 0.23 0.00 0.00 176.35 175.90 3he3 s THR 138 N -1.63 2.75 0.27 5.49 -4.23 -1.26 -4.93 115.64 112.09 3he3 s THR 138 Ca 0.78 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3he3 s THR 138 Cb -0.31 -3.01 0.25 0.00 1.34 0.00 0.00 72.50 70.77 3he3 s THR 138 CO 0.36 -0.01 1.79 0.28 -0.54 0.00 0.00 174.62 176.50 3he3 h SER 139 N 0.18 0.68 -0.49 3.99 0.02 -1.97 -1.81 113.55 114.15 3he3 h SER 139 Ca -0.42 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.51 3he3 h SER 139 Cb 1.29 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3he3 h SER 139 CO 0.51 0.32 -0.06 -0.26 -1.14 0.00 0.00 176.83 176.20 3he3 h PHE 140 N 0.75 1.04 0.00 3.45 0.04 -1.95 -2.82 116.94 117.46 3he3 h PHE 140 Ca 0.47 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.95 3he3 h PHE 140 Cb 0.59 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3he3 h PHE 140 CO -0.05 0.96 -0.50 1.96 -0.60 0.00 0.00 178.31 180.08 3he3 h GLN 141 N 0.86 0.00 -0.03 1.51 4.20 -1.77 -3.17 115.11 116.70 3he3 h GLN 141 Ca 0.15 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.71 3he3 h GLN 141 Cb 0.59 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3he3 h GLN 141 CO 0.04 0.50 -0.65 -0.24 -0.67 0.00 0.00 178.83 177.80 3he3 h VAL 142 N 0.00 1.43 -0.85 -0.54 3.04 -1.10 -0.43 116.25 117.81 3he3 h VAL 142 Ca -0.00 -2.15 -0.01 0.00 -1.01 0.00 0.00 66.70 63.53 3he3 h VAL 142 Cb 0.99 2.13 -0.04 0.00 -2.01 0.00 0.00 31.29 32.36 3he3 h VAL 142 CO 0.06 0.63 0.49 -0.08 -1.01 0.00 0.00 177.57 177.66 3he3 h GLU 143 N 0.10 1.16 -0.02 4.17 4.81 -1.51 -1.42 114.58 121.88 3he3 h GLU 143 Ca -0.01 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 3he3 h GLU 143 Cb 1.17 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3he3 h GLU 143 CO 0.10 0.83 -0.76 0.93 -0.73 0.00 0.00 179.01 179.38 3he3 h GLU 144 N 1.18 0.18 -0.53 1.92 5.08 -1.49 -2.52 114.58 118.41 3he3 h GLU 144 Ca 0.30 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3he3 h GLU 144 Cb -0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3he3 h GLU 144 CO -0.05 0.86 0.23 0.35 -1.00 0.00 0.00 179.01 179.39 3he3 h PHE 145 N 0.11 0.79 -0.32 4.33 3.57 -0.50 0.11 116.94 125.03 3he3 h PHE 145 Ca -0.03 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 3he3 h PHE 145 Cb 1.34 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3he3 h PHE 145 CO 0.02 0.63 0.09 0.74 -2.23 0.00 0.00 178.31 177.57 3he3 h PHE 146 N 0.71 0.53 -0.06 0.41 0.04 -1.25 -1.83 116.94 115.50 3he3 h PHE 146 Ca 0.18 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3he3 h PHE 146 Cb 0.16 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 3he3 h PHE 146 CO 0.00 0.54 0.05 0.00 -0.60 0.00 0.00 178.31 178.30 3he3 h ALA 147 N 0.93 1.98 0.00 2.45 0.00 -1.24 0.43 119.26 123.81 3he3 h ALA 147 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3he3 h ALA 147 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3he3 h ALA 147 CO -0.00 -0.08 -0.35 1.03 0.00 0.00 0.00 179.25 179.85 3he3 h SER 148 N 0.00 0.00 -0.00 0.00 0.87 0.06 -3.29 113.55 111.19 3he3 h SER 148 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3he3 h SER 148 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3he3 h SER 148 CO -0.00 0.35 -0.12 1.33 -0.53 0.00 0.00 176.83 177.87 3he3 n VAL 149 N -3.73 0.00 -1.79 2.23 0.24 -0.51 -5.03 118.33 109.73 3he3 n VAL 149 Ca -0.01 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.34 61.46 3he3 n VAL 149 Cb 0.44 1.01 0.03 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.13 3.00 -0.24 2.33 0.00 0.14 -4.11 121.76 121.74 3he3 s ALA 150 Ca 0.01 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 3he3 s ALA 150 Cb 0.02 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3he3 s ALA 150 CO 0.11 -1.30 0.14 -1.21 0.00 0.00 0.00 175.76 173.50 3he3 s GLU 151 N -2.72 3.97 0.13 0.00 2.02 -0.76 -4.90 118.70 116.44 3he3 s GLU 151 Ca 0.67 -0.32 -0.31 0.00 0.02 0.00 0.00 54.97 55.03 3he3 s GLU 151 Cb -0.42 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.24 3he3 s GLU 151 CO 0.51 0.01 1.49 0.15 0.02 0.00 0.00 175.26 177.44 3he3 s LYS 152 N 1.17 4.26 -0.18 1.61 3.01 -1.26 -4.01 119.74 124.35 3he3 s LYS 152 Ca 0.07 2.22 0.01 0.00 -1.01 0.00 0.00 55.97 57.25 3he3 s LYS 152 Cb -0.14 -3.26 0.04 0.00 -1.01 0.00 0.00 37.83 33.46 3he3 s LYS 152 CO 0.05 -0.54 -0.10 0.08 0.51 0.00 0.00 175.35 175.34 3he3 s VAL 153 N 1.33 1.54 0.02 3.17 1.01 -1.26 -5.03 120.40 121.18 3he3 s VAL 153 Ca 0.68 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 3he3 s VAL 153 Cb -0.40 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3he3 s VAL 153 CO 0.31 0.23 1.07 -0.33 0.00 0.00 0.00 175.10 176.38 3he3 h GLU 154 N 8.02 -0.02 -4.18 2.72 3.07 -2.02 -3.40 114.58 118.77 3he3 h GLU 154 Ca -0.30 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.14 3he3 h GLU 154 Cb 1.11 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.69 3he3 h GLU 154 CO 0.48 -0.01 -0.78 -1.14 -1.40 0.00 0.00 179.01 176.15 3he3 s GLN 155 N -3.33 1.01 -0.23 2.33 0.74 -1.26 -5.12 119.66 113.80 3he3 s GLN 155 Ca -0.02 -0.19 -0.27 0.00 0.05 0.00 0.00 55.36 54.93 3he3 s GLN 155 Cb 0.01 -0.94 0.00 0.00 1.10 0.00 0.00 33.01 33.18 3he3 s GLN 155 CO 0.08 -0.04 0.96 0.08 -0.55 0.00 0.00 175.29 175.82 3he3 s VAL 156 N 0.77 4.74 0.00 1.34 1.01 -1.26 -4.87 120.40 122.13 3he3 s VAL 156 Ca -0.12 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3he3 s VAL 156 Cb -0.14 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3he3 s VAL 156 CO 0.01 -0.13 0.00 0.54 0.00 0.00 0.00 175.10 175.52 3he3 n ARG 157 N 6.14 0.00 -3.63 2.72 5.12 -1.26 -4.96 116.66 120.79 3he3 n ARG 157 Ca 0.09 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.80 3he3 n ARG 157 Cb 0.47 -0.73 -0.03 0.00 -1.16 0.00 0.00 32.46 31.00 3he3 n ARG 157 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3he3 s THR 158 N -1.82 2.55 0.33 0.55 -4.23 -1.26 -1.09 115.64 110.68 3he3 s THR 158 Ca 0.00 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 3he3 s THR 158 Cb 0.00 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 71.02 3he3 s THR 158 CO 0.00 0.00 1.83 0.28 -0.54 0.00 0.00 174.62 176.19 3he3 h SER 159 N 1.04 0.37 -0.66 3.99 0.02 -0.36 -1.54 113.55 116.42 3he3 h SER 159 Ca -0.41 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3he3 h SER 159 Cb 1.27 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 3he3 h SER 159 CO 0.58 0.55 0.42 -0.08 -1.14 0.00 0.00 176.83 177.16 3he3 h GLU 160 N 0.36 0.80 -0.22 3.45 4.81 -1.80 -3.16 114.58 118.82 3he3 h GLU 160 Ca 0.07 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3he3 h GLU 160 Cb 0.48 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3he3 h GLU 160 CO 0.03 0.53 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.12 3he3 h ASP 161 N 0.82 0.42 0.81 1.04 3.32 -1.61 -0.03 116.42 121.20 3he3 h ASP 161 Ca 0.26 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3he3 h ASP 161 Cb -0.01 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3he3 h ASP 161 CO -0.09 0.69 -0.45 0.58 -1.72 0.00 0.00 179.24 178.25 3he3 h VAL 162 N 0.37 1.04 0.00 -1.35 2.07 -1.44 -2.66 116.25 114.28 3he3 h VAL 162 Ca 0.05 -1.72 -0.19 0.00 0.82 0.00 0.00 66.70 65.66 3he3 h VAL 162 Cb 0.68 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3he3 h VAL 162 CO 0.05 0.44 -1.22 0.52 0.02 0.00 0.00 177.57 177.38 3he3 n VAL 163 N -3.59 1.50 0.03 2.57 0.31 -1.11 -4.06 118.33 113.98 3he3 n VAL 163 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3he3 n VAL 163 Cb 0.55 -2.13 0.49 0.00 -0.91 0.00 0.00 33.84 31.83 3he3 n VAL 163 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3he3 h VAL 164 N -1.00 1.03 0.00 2.52 2.07 -1.10 -0.10 116.25 119.66 3he3 h VAL 164 Ca -0.28 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3he3 h VAL 164 Cb 1.11 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3he3 h VAL 164 CO -0.17 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 175.95 3he3 n SER 165 N -4.48 0.58 -0.11 0.57 3.41 -1.00 -1.83 113.62 110.76 3he3 n SER 165 Ca 0.04 0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 59.03 3he3 n SER 165 Cb 0.15 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.28 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 -2.06 0.53 0.00 4.33 4.01 -0.33 -4.42 118.16 120.23 3he3 n LYS 166 Ca 0.05 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 3he3 n LYS 166 Cb 0.38 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 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 -3.40 0.17 0.00 -0.18 0.24 -0.20 -4.63 118.33 110.34 3he3 n VAL 167 Ca -0.41 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 3he3 n VAL 167 Cb 0.89 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.45 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 -0.09 -0.30 0.18 7.63 0.00 -0.96 -4.40 105.19 107.25 3he3 n GLY 168 Ca 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.41 0.11 1.61 9.65 -1.79 -3.01 114.38 121.36 3he3 h ARG 169 Ca 0.00 -0.32 -0.01 0.00 -1.10 0.00 0.00 59.98 58.55 3he3 h ARG 169 Cb 0.00 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3he3 h ARG 169 CO 0.00 0.95 -0.05 0.22 2.80 0.00 0.00 179.97 183.89 3he3 h ASP 170 N 0.28 -0.13 0.33 -3.80 -0.00 -1.94 -1.22 116.42 109.94 3he3 h ASP 170 Ca -0.03 -0.39 -0.03 0.00 -0.00 0.00 0.00 57.03 56.59 3he3 h ASP 170 Cb 1.27 0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 40.63 3he3 h ASP 170 CO 0.12 0.36 -0.13 -0.07 -0.00 0.00 0.00 179.24 179.52 3he3 h LEU 171 N -0.65 0.00 -0.07 2.28 3.38 -1.77 -2.18 115.31 116.30 3he3 h LEU 171 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3he3 h LEU 171 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3he3 h LEU 171 CO 0.02 0.13 -0.03 0.22 0.09 0.00 0.00 178.44 178.87 3he3 h TYR 172 N 0.00 0.17 -0.78 1.13 3.20 -1.37 -2.27 116.97 117.04 3he3 h TYR 172 Ca -0.00 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.84 3he3 h TYR 172 Cb 0.33 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3he3 h TYR 172 CO 0.00 0.52 0.52 -0.91 -1.64 0.00 0.00 178.16 176.65 3he3 h ASN 173 N -0.23 0.89 0.42 -2.11 2.35 -0.86 0.75 115.58 116.79 3he3 h ASN 173 Ca 0.02 -0.02 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 3he3 h ASN 173 Cb 0.47 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.63 3he3 h ASN 173 CO 0.01 0.64 -1.12 0.11 -1.65 0.00 0.00 177.43 175.42 3he3 h LYS 174 N 1.04 0.39 0.00 0.81 1.57 -1.39 -3.37 116.57 115.62 3he3 h LYS 174 Ca 0.29 -0.52 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 3he3 h LYS 174 Cb -0.09 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3he3 h LYS 174 CO -0.07 1.20 -1.68 1.19 -0.57 0.00 0.00 179.45 179.52 3he3 n PHE 175 N -3.67 0.00 -0.01 -1.35 3.01 -0.86 -4.73 117.46 109.85 3he3 n PHE 175 Ca -0.09 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.33 3he3 n PHE 175 Cb 0.94 -0.47 -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 -2.29 0.00 -0.10 1.38 3.72 0.14 -4.56 117.46 115.76 3he3 n PHE 176 Ca -0.14 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.19 3he3 n PHE 176 Cb 0.73 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.18 -0.21 -0.23 -1.08 2.43 -1.43 -0.17 114.38 113.49 3he3 h ARG 177 Ca -0.10 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3he3 h ARG 177 Cb 0.89 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3he3 h ARG 177 CO -0.06 -0.14 0.14 0.78 -1.51 0.00 0.00 179.97 179.18 3he3 h GLY 178 N -0.22 0.32 0.82 2.80 0.00 -1.74 -1.78 103.07 103.27 3he3 h GLY 178 Ca 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3he3 h GLY 178 CO -0.48 0.10 -0.04 -1.82 0.00 0.00 0.00 176.54 174.31 3he3 h TYR 179 N 0.29 -0.09 0.07 5.60 3.20 -1.17 -2.51 116.97 122.36 3he3 h TYR 179 Ca 0.09 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3he3 h TYR 179 Cb -0.02 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3he3 h TYR 179 CO -0.07 0.11 -0.18 1.15 -1.64 0.00 0.00 178.16 177.52 3he3 h THR 180 N -0.28 0.57 -0.98 1.81 2.02 -0.98 0.36 112.91 115.44 3he3 h THR 180 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 3he3 h THR 180 Cb 0.24 0.57 -0.10 0.00 -1.74 0.00 0.00 68.15 67.13 3he3 h THR 180 CO 0.02 0.00 0.59 0.03 0.37 0.00 0.00 175.52 176.53 3he3 h ARG 181 N -0.34 0.79 -0.10 6.66 3.08 -1.34 0.73 114.38 123.86 3he3 h ARG 181 Ca 0.03 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 3he3 h ARG 181 Cb 0.37 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.25 3he3 h ARG 181 CO -0.12 0.52 -0.84 -0.22 -1.07 0.00 0.00 179.97 178.24 3he3 h LYS 182 N 0.81 0.72 0.04 0.04 3.64 -0.81 0.55 116.57 121.56 3he3 h LYS 182 Ca 0.54 -0.63 -0.24 0.00 -1.27 0.00 0.00 60.65 59.05 3he3 h LYS 182 Cb 0.75 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3he3 h LYS 182 CO -0.35 1.24 -1.04 0.37 -2.27 0.00 0.00 179.45 177.40 3he3 h GLN 183 N 0.47 0.38 0.00 1.90 5.75 0.24 -3.37 115.11 120.48 3he3 h GLN 183 Ca -0.07 -0.47 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 3he3 h GLN 183 Cb 1.47 0.15 0.00 0.00 1.07 0.00 0.00 27.48 30.17 3he3 h GLN 183 CO 0.17 1.15 -1.45 0.91 -2.65 0.00 0.00 178.83 176.96 3he3 n TRP 184 N -3.69 0.00 -1.71 3.99 7.02 0.20 -4.84 117.44 118.41 3he3 n TRP 184 Ca -0.08 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.28 3he3 n TRP 184 Cb 0.89 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 29.49 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 1.67 0.73 3.05 6.99 0.00 0.18 -5.00 105.19 112.82 3he3 n GLY 185 Ca -0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.05 1.39 0.42 0.99 1.02 -1.23 -5.04 118.68 113.18 3he3 s LEU 186 Ca 0.00 0.27 -0.24 0.00 0.02 0.00 0.00 54.13 54.18 3he3 s LEU 186 Cb 0.00 0.58 -0.08 0.00 0.02 0.00 0.00 46.19 46.71 3he3 s LEU 186 CO 0.00 -0.10 1.15 -0.62 0.02 0.00 0.00 176.35 176.80 3he3 s ASP 187 N -0.09 6.41 0.57 2.29 2.15 -1.26 -3.43 116.67 123.30 3he3 s ASP 187 Ca -0.02 2.28 0.31 0.00 0.43 0.00 0.00 52.55 55.55 3he3 s ASP 187 Cb -0.02 -2.60 1.45 0.00 -0.30 0.00 0.00 42.92 41.44 3he3 s ASP 187 CO 0.00 -0.75 1.83 -0.65 -0.17 0.00 0.00 175.17 175.44 3he3 h PRO 188 N 2.37 0.00 0.00 4.34 0.11 -1.92 0.76 132.00 137.66 3he3 h PRO 188 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3he3 h PRO 188 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3he3 h PRO 188 CO 0.61 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.06 3he3 h SER 189 N 0.00 0.00 -0.58 -2.05 4.64 -1.92 -1.67 113.55 111.97 3he3 h SER 189 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3he3 h SER 189 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3he3 h SER 189 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3he3 n GLU 190 N -2.46 2.42 -4.32 4.77 1.02 0.26 -4.84 120.64 117.50 3he3 n GLU 190 Ca 0.02 -2.20 -0.24 0.00 -0.02 0.00 0.00 57.16 54.72 3he3 n GLU 190 Cb 0.28 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.07 2.34 0.66 -4.62 1.43 -0.94 -4.78 118.68 111.71 3he3 s LEU 191 Ca 0.41 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 3he3 s LEU 191 Cb 0.22 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 3he3 s LEU 191 CO 0.29 0.06 1.26 -0.62 0.23 0.00 0.00 176.35 177.57 3he3 s ASP 192 N -2.16 4.59 0.57 2.29 2.15 0.17 -1.56 116.67 122.72 3he3 s ASP 192 Ca 0.11 2.54 0.29 0.00 0.43 0.00 0.00 52.55 55.92 3he3 s ASP 192 Cb -0.09 -2.61 1.73 0.00 -0.30 0.00 0.00 42.92 41.65 3he3 s ASP 192 CO 0.05 -2.01 2.21 0.00 -0.17 0.00 0.00 175.17 175.25 3he3 h ALA 193 N 0.41 1.45 0.00 3.66 0.00 -1.26 -2.66 119.26 120.87 3he3 h ALA 193 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3he3 h ALA 193 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3he3 h ALA 193 CO 0.53 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.48 3he3 h SER 194 N 0.00 0.00 0.21 0.00 4.64 -1.89 -2.47 113.55 114.03 3he3 h SER 194 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3he3 h SER 194 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3he3 h SER 194 CO 0.00 0.00 -0.10 0.58 -0.87 0.00 0.00 176.83 176.44 3he3 h VAL 195 N 0.00 0.00 0.00 0.95 2.07 -1.83 -3.29 116.25 114.15 3he3 h VAL 195 Ca 0.00 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3he3 h VAL 195 Cb 0.19 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3he3 h VAL 195 CO 0.00 0.00 -0.09 0.71 0.02 0.00 0.00 177.57 178.21 3he3 h THR 196 N -0.43 0.25 0.00 2.57 1.35 -1.78 -2.35 112.91 112.53 3he3 h THR 196 Ca -0.03 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3he3 h THR 196 Cb 0.21 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3he3 h THR 196 CO 0.05 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 3he3 n ALA 197 N -2.16 1.74 0.17 6.62 0.00 -0.93 -1.73 120.51 124.22 3he3 n ALA 197 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.40 3he3 n ALA 197 Cb 0.33 -1.18 0.29 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.01 0.00 3.08 -1.48 -3.35 114.38 109.62 3he3 h ARG 198 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 3he3 h ARG 198 Cb 0.08 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 29.77 3he3 h ARG 198 CO 0.00 0.46 -0.14 0.28 -1.07 0.00 0.00 179.97 179.50 3he3 n VAL 199 N -3.84 3.00 -1.42 2.04 0.31 -0.71 -5.08 118.33 112.63 3he3 n VAL 199 Ca -0.01 -5.21 -0.31 0.00 -0.01 0.00 0.00 64.34 58.79 3he3 n VAL 199 Cb 0.51 -2.26 0.07 0.00 -0.91 0.00 0.00 33.84 31.25 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 -1.80 2.54 0.04 5.55 0.02 -1.26 -4.87 135.00 135.22 3he3 s PRO 200 Ca 0.30 1.13 -0.17 0.00 0.02 0.00 0.00 61.00 62.28 3he3 s PRO 200 Cb -0.01 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.52 3he3 s PRO 200 CO -0.08 -1.42 0.49 0.99 -0.33 0.00 0.00 177.00 176.65 3he3 s THR 201 N -2.88 4.87 0.16 0.99 2.01 -1.26 -4.54 115.64 114.99 3he3 s THR 201 Ca 0.61 1.03 0.08 0.00 0.31 0.00 0.00 61.69 63.72 3he3 s THR 201 Cb -0.16 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3he3 s THR 201 CO 0.54 0.56 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.85 3he3 s ARG 202 N -1.11 2.27 0.00 4.92 0.52 -0.60 -5.01 118.95 119.93 3he3 s ARG 202 Ca 0.27 -1.13 0.16 0.00 -0.52 0.00 0.00 55.73 54.51 3he3 s ARG 202 Cb -0.18 -2.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 3he3 s ARG 202 CO 0.16 0.46 0.85 0.25 0.02 0.00 0.00 175.30 177.04 3he3 n THR 203 N 0.09 0.00 -1.81 0.02 -2.24 -1.26 -4.14 114.28 104.94 3he3 n THR 203 Ca -0.11 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3he3 n THR 203 Cb 0.55 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.21 0.00 -0.75 3.42 0.23 -1.26 -4.37 115.26 112.32 3he3 n ASN 204 Ca 0.06 -0.42 0.03 0.00 -0.53 0.00 0.00 54.58 53.72 3he3 n ASN 204 Cb 0.33 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.23 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 -0.42 1.86 -2.43 -3.83 1.74 -1.26 -1.14 116.66 111.18 3he3 n ARG 205 Ca 0.00 -3.03 -0.43 0.00 -0.77 0.00 0.00 57.85 53.62 3he3 n ARG 205 Cb 0.00 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.71 3he3 n ARG 205 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3he3 s ASP 206 N -2.67 6.98 -0.04 0.55 -1.08 -1.26 -4.93 116.67 114.22 3he3 s ASP 206 Ca 0.40 1.77 0.14 0.00 -0.52 0.00 0.00 52.55 54.33 3he3 s ASP 206 Cb 0.36 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.69 3he3 s ASP 206 CO 0.00 -0.68 1.35 -0.46 0.52 0.00 0.00 175.17 175.90 3he3 n ASN 207 N 5.95 3.39 -4.79 -0.34 6.94 -1.26 -4.84 115.26 120.30 3he3 n ASN 207 Ca 0.13 -2.23 -0.36 0.00 -0.02 0.00 0.00 54.58 52.10 3he3 n ASN 207 Cb 0.45 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.48 3he3 n ASN 207 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3he3 s ARG 208 N -1.41 4.20 0.22 -3.83 0.52 -1.26 -4.36 118.95 113.03 3he3 s ARG 208 Ca 0.32 1.42 0.04 0.00 -0.52 0.00 0.00 55.73 56.98 3he3 s ARG 208 Cb 0.19 -2.49 0.20 0.00 0.52 0.00 0.00 34.95 33.37 3he3 s ARG 208 CO 0.17 -0.09 1.52 -0.92 0.02 0.00 0.00 175.30 176.00 3he3 h TYR 209 N 2.43 0.32 -4.14 -0.53 3.20 -1.56 -3.43 116.97 113.27 3he3 h TYR 209 Ca -0.48 -0.13 -0.66 0.00 3.14 0.00 0.00 58.73 60.60 3he3 h TYR 209 Cb 1.21 -0.05 -0.25 0.00 1.54 0.00 0.00 36.73 39.18 3he3 h TYR 209 CO 0.59 0.83 -0.87 -0.06 -1.64 0.00 0.00 178.16 177.01 3he3 s PHE 210 N -3.67 2.17 -2.19 -3.82 0.40 -1.26 -4.86 117.98 104.74 3he3 s PHE 210 Ca -0.04 -0.40 0.18 0.00 -0.60 0.00 0.00 56.93 56.07 3he3 s PHE 210 Cb 0.12 -1.26 0.13 0.00 0.51 0.00 0.00 43.02 42.52 3he3 s PHE 210 CO 0.81 0.18 1.06 0.00 0.70 0.00 0.00 175.22 177.96 3he3 n ALA 211 N 1.49 2.52 -1.25 5.36 0.00 -1.26 -4.97 120.51 122.40 3he3 n ALA 211 Ca -0.17 -0.64 -0.37 0.00 0.00 0.00 0.00 53.44 52.26 3he3 n ALA 211 Cb 0.53 -0.60 0.06 0.00 0.00 0.00 0.00 19.45 19.43 3he3 n ALA 211 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3he3 n ASP 212 N 0.93 -1.97 -0.12 0.00 10.43 -1.26 -4.92 116.55 119.64 3he3 n ASP 212 Ca 0.10 0.58 -0.12 0.00 2.57 0.00 0.00 54.79 57.92 3he3 n ASP 212 Cb 0.44 -1.12 -0.03 0.00 1.84 0.00 0.00 41.12 42.26 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 -0.33 1.28 -3.64 -3.53 2.02 -1.87 -3.41 112.91 103.44 3he3 h THR 213 Ca -0.45 -1.28 -0.69 0.00 0.77 0.00 0.00 66.41 64.76 3he3 h THR 213 Cb 1.36 1.36 -0.31 0.00 -1.74 0.00 0.00 68.15 68.82 3he3 h THR 213 CO 0.41 0.42 -0.60 -0.31 0.37 0.00 0.00 175.52 175.81 3he3 s TYR 214 N -4.63 3.33 -0.27 3.16 1.51 -0.36 -5.03 117.35 115.05 3he3 s TYR 214 Ca -0.12 -1.74 0.01 0.00 -1.01 0.00 0.00 57.07 54.21 3he3 s TYR 214 Cb 0.10 -2.49 0.08 0.00 -0.11 0.00 0.00 41.96 39.54 3he3 s TYR 214 CO 0.82 -0.81 -0.00 -0.65 -1.11 0.00 0.00 175.55 173.80 3he3 s GLN 215 N 1.32 1.43 0.03 -0.62 -0.21 -1.26 -1.49 119.66 118.86 3he3 s GLN 215 Ca -0.00 -1.21 -0.20 0.00 0.02 0.00 0.00 55.36 53.97 3he3 s GLN 215 Cb -0.21 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.23 3he3 s GLN 215 CO 0.00 -0.74 0.45 0.00 -2.12 0.00 0.00 175.29 172.88 3he3 s ALA 216 N 1.32 -1.14 -0.00 6.09 0.00 -1.20 -2.50 121.76 124.33 3he3 s ALA 216 Ca 0.01 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 3he3 s ALA 216 Cb -0.19 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3he3 s ALA 216 CO -0.10 -0.43 0.10 -1.64 0.00 0.00 0.00 175.76 173.68 3he3 s MET 217 N -2.18 3.11 -0.11 0.00 -1.94 0.30 -4.18 119.30 114.30 3he3 s MET 217 Ca -0.07 -0.47 -0.30 0.00 -1.71 0.00 0.00 55.69 53.14 3he3 s MET 217 Cb -0.01 -2.89 -0.08 0.00 2.01 0.00 0.00 34.83 33.86 3he3 s MET 217 CO -0.00 0.65 2.08 -2.30 -0.01 0.00 0.00 175.02 175.44 3he3 n PRO 218 N 1.14 2.30 -0.36 2.03 -0.02 -1.26 0.15 135.00 138.97 3he3 n PRO 218 Ca -0.13 0.76 0.27 0.00 -2.02 0.00 0.00 63.50 62.39 3he3 n PRO 218 Cb 0.53 -3.02 0.54 0.00 -0.02 0.00 0.00 33.50 31.52 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 12.36 0.42 -3.10 2.45 5.85 -0.69 0.16 115.31 132.75 3he3 h LEU 219 Ca -0.45 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3he3 h LEU 219 Cb 1.25 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3he3 h LEU 219 CO 0.95 -0.06 0.00 1.41 -0.34 0.00 0.00 178.44 180.40 3he3 n HIS 220 N -4.79 0.39 0.00 1.25 8.25 -1.26 -4.93 115.22 114.12 3he3 n HIS 220 Ca 0.31 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 3he3 n HIS 220 Cb 1.07 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.99 0.52 0.14 -1.41 0.00 0.56 -4.46 105.19 99.55 3he3 n GLY 221 Ca 0.18 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 3he3 n GLY 221 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3he3 h TYR 222 N 0.00 0.45 -0.58 1.61 -1.99 -1.82 -3.16 116.97 111.47 3he3 h TYR 222 Ca 0.00 -0.11 0.09 0.00 2.00 0.00 0.00 58.73 60.71 3he3 h TYR 222 Cb 0.00 -0.11 -0.07 0.00 2.00 0.00 0.00 36.73 38.55 3he3 h TYR 222 CO 0.00 0.67 0.22 1.15 -0.00 0.00 0.00 178.16 180.20 3he3 h THR 223 N 0.10 0.78 -0.88 -2.88 2.02 -1.82 0.25 112.91 110.49 3he3 h THR 223 Ca 0.05 -0.14 0.05 0.00 0.77 0.00 0.00 66.41 67.14 3he3 h THR 223 Cb 0.55 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 3he3 h THR 223 CO 0.02 0.07 0.56 0.03 0.37 0.00 0.00 175.52 176.57 3he3 h ARG 224 N 0.40 1.01 -0.26 6.66 2.47 -1.78 0.46 114.38 123.34 3he3 h ARG 224 Ca 0.29 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 3he3 h ARG 224 Cb 0.35 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3he3 h ARG 224 CO -0.29 0.67 0.14 1.98 0.56 0.00 0.00 179.97 183.03 3he3 h MET 225 N 1.05 0.37 -0.80 0.04 4.05 -0.70 -2.81 114.93 116.13 3he3 h MET 225 Ca 0.37 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.71 3he3 h MET 225 Cb 0.09 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 3he3 h MET 225 CO -0.15 0.34 0.38 0.74 0.23 0.00 0.00 176.91 178.45 3he3 h PHE 226 N 0.31 1.16 -0.85 1.39 -1.00 -0.10 -2.29 116.94 115.55 3he3 h PHE 226 Ca 0.09 -0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.87 3he3 h PHE 226 Cb 0.08 -0.36 -0.06 0.00 3.61 0.00 0.00 35.95 39.22 3he3 h PHE 226 CO -0.03 0.85 0.53 1.96 -1.61 0.00 0.00 178.31 180.01 3he3 h GLN 227 N 1.13 0.96 -0.71 1.51 4.20 -0.78 -0.02 115.11 121.40 3he3 h GLN 227 Ca 0.27 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3he3 h GLN 227 Cb 0.13 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 3he3 h GLN 227 CO -0.03 0.64 0.32 -0.91 -0.67 0.00 0.00 178.83 178.18 3he3 h ASN 228 N 0.99 0.93 -0.33 1.46 2.35 -1.22 -2.61 115.58 117.15 3he3 h ASN 228 Ca 0.36 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 3he3 h ASN 228 Cb 0.13 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3he3 h ASN 228 CO -0.16 0.80 0.02 0.24 -1.65 0.00 0.00 177.43 176.68 3he3 h MET 229 N 1.02 0.66 -0.66 0.81 2.86 -0.49 -2.81 114.93 116.31 3he3 h MET 229 Ca 0.24 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3he3 h MET 229 Cb 0.13 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3he3 h MET 229 CO -0.03 0.67 0.00 1.28 1.06 0.00 0.00 176.91 179.89 3he3 n LEU 230 N -4.26 4.97 0.19 1.22 4.77 -0.50 -4.37 117.00 119.02 3he3 n LEU 230 Ca 0.02 -2.51 0.06 0.00 -0.03 0.00 0.00 56.01 53.55 3he3 n LEU 230 Cb 0.26 -0.60 0.29 0.00 -2.33 0.00 0.00 43.42 41.04 3he3 n LEU 230 CO 0.40 0.80 0.66 0.77 -1.33 0.00 0.00 177.39 178.69 3he3 h SER 231 N 4.18 0.00 -2.35 -1.43 4.64 -1.19 -3.45 113.55 113.95 3he3 h SER 231 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3he3 h SER 231 Cb 1.54 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.74 3he3 h SER 231 CO 0.27 0.36 0.09 -0.24 -0.87 0.00 0.00 176.83 176.44 3he3 n SER 232 N -3.42 1.13 0.23 4.97 2.88 -1.26 -4.85 113.62 113.30 3he3 n SER 232 Ca 0.00 1.18 0.17 0.00 -1.33 0.00 0.00 58.87 58.89 3he3 n SER 232 Cb 0.54 -1.26 0.85 0.00 -0.75 0.00 0.00 64.21 63.59 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 1.97 0.00 0.00 -1.46 0.11 -1.98 -2.04 132.00 128.60 3he3 h PRO 233 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3he3 h PRO 233 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3he3 h PRO 233 CO 0.61 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.49 3he3 n ASN 234 N -3.80 0.00 -4.43 -2.05 3.02 -1.26 -4.73 115.26 102.01 3he3 n ASN 234 Ca 0.00 0.48 -0.37 0.00 -0.03 0.00 0.00 54.58 54.67 3he3 n ASN 234 Cb 0.26 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.82 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 -2.99 4.35 -0.11 2.41 1.01 -0.77 -1.15 121.20 123.96 3he3 s ILE 235 Ca 0.11 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 3he3 s ILE 235 Cb 0.14 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3he3 s ILE 235 CO 0.40 0.23 0.38 -0.54 0.00 0.00 0.00 174.94 175.41 3he3 s LYS 236 N 1.60 4.18 -0.20 2.79 -0.14 0.91 -4.89 119.74 123.99 3he3 s LYS 236 Ca 0.05 0.28 -0.04 0.00 -1.36 0.00 0.00 55.97 54.91 3he3 s LYS 236 Cb -0.16 -3.37 -0.01 0.00 -1.68 0.00 0.00 37.83 32.60 3he3 s LYS 236 CO 0.04 0.34 -0.04 0.08 -0.76 0.00 0.00 175.35 175.01 3he3 s VAL 237 N 0.10 3.52 -0.19 3.17 1.01 -1.26 0.11 120.40 126.86 3he3 s VAL 237 Ca 0.21 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3he3 s VAL 237 Cb -0.15 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.68 3he3 s VAL 237 CO 0.08 0.44 -0.13 -0.32 0.00 0.00 0.00 175.10 175.17 3he3 s MET 238 N 1.20 2.29 0.21 2.72 1.75 0.63 -4.98 119.30 123.12 3he3 s MET 238 Ca 0.03 -0.86 0.07 0.00 -1.25 0.00 0.00 55.69 53.68 3he3 s MET 238 Cb -0.14 -2.46 -0.04 0.00 2.84 0.00 0.00 34.83 35.03 3he3 s MET 238 CO -0.01 -0.37 0.08 -0.51 -0.65 0.00 0.00 175.02 173.56 3he3 s LEU 239 N 1.35 3.54 -0.95 4.11 1.43 -1.26 -1.52 118.68 125.37 3he3 s LEU 239 Ca -0.00 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3he3 s LEU 239 Cb -0.16 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3he3 s LEU 239 CO -0.09 0.04 0.06 -3.20 0.23 0.00 0.00 176.35 173.39 3he3 n ASN 240 N -0.59 -3.77 -3.74 2.29 5.15 -0.33 -4.94 115.26 109.34 3he3 n ASN 240 Ca -0.08 -0.04 -0.25 0.00 -0.60 0.00 0.00 54.58 53.61 3he3 n ASN 240 Cb 0.56 -2.93 -0.17 0.00 -0.53 0.00 0.00 39.78 36.71 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 -2.63 0.36 0.21 -0.44 2.01 -0.83 -4.91 115.64 109.40 3he3 s THR 241 Ca 0.03 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3he3 s THR 241 Cb -0.01 -0.68 -0.08 0.00 0.01 0.00 0.00 72.50 71.73 3he3 s THR 241 CO 0.04 0.05 1.16 -0.62 -0.69 0.00 0.00 174.62 174.55 3he3 s ASP 242 N 1.96 7.16 0.55 3.53 -1.08 -1.26 -2.79 116.67 124.73 3he3 s ASP 242 Ca 0.03 2.22 0.26 0.00 -0.52 0.00 0.00 52.55 54.54 3he3 s ASP 242 Cb -0.14 -2.61 1.46 0.00 -1.46 0.00 0.00 42.92 40.17 3he3 s ASP 242 CO -0.06 -0.29 2.02 0.10 0.52 0.00 0.00 175.17 177.45 3he3 h TYR 243 N 4.85 0.00 0.00 -5.34 -0.00 -1.95 0.21 116.97 114.75 3he3 h TYR 243 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 3he3 h TYR 243 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 3he3 h TYR 243 CO 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.77 3he3 h ARG 244 N 0.00 0.00 0.00 0.10 3.08 -2.00 -1.39 114.38 114.18 3he3 h ARG 244 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3he3 h ARG 244 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3he3 h ARG 244 CO -0.00 0.00 0.00 0.93 -1.07 0.00 0.00 179.97 179.83 3he3 h GLU 245 N 0.00 0.00 0.00 0.04 5.08 -0.94 -3.33 114.58 115.42 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 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3he3 h GLU 245 CO 0.00 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.45 3he3 n ILE 246 N -2.34 0.00 0.23 3.13 -5.35 -1.07 -4.81 119.36 109.15 3he3 n ILE 246 Ca 0.04 -0.27 0.08 0.00 -0.27 0.00 0.00 62.75 62.34 3he3 n ILE 246 Cb 0.38 1.12 0.55 0.00 -1.74 0.00 0.00 39.64 39.94 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 1.36 0.00 -1.28 0.00 -1.37 -1.28 119.26 116.69 3he3 h ALA 247 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3he3 h ALA 247 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3he3 h ALA 247 CO 0.00 0.28 -0.46 -0.44 0.00 0.00 0.00 179.25 178.63 3he3 h ASP 248 N 0.00 0.00 0.00 0.00 3.32 -1.86 -3.38 116.42 114.50 3he3 h ASP 248 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3he3 h ASP 248 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3he3 h ASP 248 CO 0.03 0.46 -0.52 2.22 -1.72 0.00 0.00 179.24 179.71 3he3 n PHE 249 N -3.47 0.00 -3.13 4.55 -1.74 -1.10 -4.98 117.46 107.59 3he3 n PHE 249 Ca 0.00 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.49 3he3 n PHE 249 Cb 0.59 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.53 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 -1.38 5.00 -0.06 1.97 1.01 -0.50 -5.03 121.20 122.20 3he3 s ILE 250 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.45 3he3 s ILE 250 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3he3 s ILE 250 CO 0.00 0.04 1.36 -2.84 0.00 0.00 0.00 174.94 173.50 3he3 s PRO 251 N 2.44 4.27 0.04 2.79 0.02 -1.26 -4.82 135.00 138.48 3he3 s PRO 251 Ca 0.26 1.86 -0.05 0.00 0.02 0.00 0.00 61.00 63.09 3he3 s PRO 251 Cb -0.16 -3.68 -0.01 0.00 0.02 0.00 0.00 34.50 30.67 3he3 s PRO 251 CO 0.09 -0.62 0.08 -0.59 -0.33 0.00 0.00 177.00 175.62 3he3 s PHE 252 N 2.89 0.24 -0.14 6.54 -0.12 -1.22 -0.48 117.98 125.68 3he3 s PHE 252 Ca 0.61 -0.58 0.14 0.00 -0.05 0.00 0.00 56.93 57.06 3he3 s PHE 252 Cb -0.28 -0.17 -0.24 0.00 -0.63 0.00 0.00 43.02 41.70 3he3 s PHE 252 CO 0.23 -0.37 0.31 1.04 -0.05 0.00 0.00 175.22 176.37 3he3 n GLN 253 N 0.68 0.67 -3.81 1.99 1.13 -0.15 -4.92 117.38 112.97 3he3 n GLN 253 Ca -0.18 0.13 -0.11 0.00 -1.94 0.00 0.00 57.00 54.89 3he3 n GLN 253 Cb 0.59 -1.64 -0.08 0.00 0.11 0.00 0.00 30.24 29.22 3he3 n GLN 253 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3he3 s HIS 254 N -2.54 -0.04 -0.05 1.08 2.46 -1.01 -4.95 115.29 110.25 3he3 s HIS 254 Ca -0.09 -0.09 0.05 0.00 0.47 0.00 0.00 55.06 55.40 3he3 s HIS 254 Cb 0.07 0.03 -0.00 0.00 -0.13 0.00 0.00 32.58 32.54 3he3 s HIS 254 CO 0.82 -0.43 -0.19 1.41 -2.47 0.00 0.00 174.74 173.88 3he3 s MET 255 N -2.18 2.00 -0.27 2.88 1.75 -0.71 -0.79 119.30 121.98 3he3 s MET 255 Ca -0.08 -0.68 -0.06 0.00 -1.25 0.00 0.00 55.69 53.62 3he3 s MET 255 Cb -0.03 -1.71 0.01 0.00 2.84 0.00 0.00 34.83 35.94 3he3 s MET 255 CO -0.01 0.27 0.04 0.42 -0.65 0.00 0.00 175.02 175.08 3he3 s ILE 256 N 0.02 3.75 -0.14 10.11 1.01 0.11 -0.61 121.20 135.46 3he3 s ILE 256 Ca -0.05 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3he3 s ILE 256 Cb -0.12 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3he3 s ILE 256 CO 0.03 0.17 -0.06 -0.47 0.00 0.00 0.00 174.94 174.61 3he3 s TYR 257 N 1.48 2.97 -0.06 3.97 5.04 -0.26 -0.38 117.35 130.10 3he3 s TYR 257 Ca 0.03 -0.31 0.09 0.00 -2.44 0.00 0.00 57.07 54.44 3he3 s TYR 257 Cb -0.16 -1.90 0.14 0.00 0.35 0.00 0.00 41.96 40.39 3he3 s TYR 257 CO 0.01 -0.01 1.05 0.25 -1.34 0.00 0.00 175.55 175.51 3he3 n THR 258 N 3.34 0.99 -1.94 4.34 -2.24 -0.76 -1.99 114.28 116.02 3he3 n THR 258 Ca -0.18 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 3he3 n THR 258 Cb 0.53 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.74 0.58 3.75 3.38 0.00 -1.26 -4.15 105.19 106.75 3he3 n GLY 259 Ca 0.08 -1.91 -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 -4.14 0.00 0.00 0.00 173.32 169.18 3he3 s PRO 260 N -1.78 4.25 0.07 1.61 0.02 -1.26 -1.47 135.00 136.44 3he3 s PRO 260 Ca 0.00 2.34 -0.23 0.00 0.02 0.00 0.00 61.00 63.13 3he3 s PRO 260 Cb 0.00 -3.09 -0.15 0.00 0.02 0.00 0.00 34.50 31.28 3he3 s PRO 260 CO 0.00 -0.42 1.66 0.28 -0.33 0.00 0.00 177.00 178.20 3he3 h VAL 261 N 3.42 1.07 -0.53 3.83 2.07 -1.77 -3.19 116.25 121.15 3he3 h VAL 261 Ca -0.47 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3he3 h VAL 261 Cb 1.22 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 3he3 h VAL 261 CO 0.75 0.05 0.11 -2.24 0.02 0.00 0.00 177.57 176.27 3he3 h ASP 262 N -0.05 0.02 -0.43 0.57 2.03 -1.92 -1.89 116.42 114.74 3he3 h ASP 262 Ca 0.01 0.09 -0.05 0.00 -0.73 0.00 0.00 57.03 56.35 3he3 h ASP 262 Cb 0.08 0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 3he3 h ASP 262 CO -0.00 0.03 0.12 0.00 -1.03 0.00 0.00 179.24 178.36 3he3 h ALA 263 N 1.41 1.28 -0.25 4.15 0.00 -1.94 0.92 119.26 124.83 3he3 h ALA 263 Ca 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3he3 h ALA 263 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3he3 h ALA 263 CO -0.34 0.51 0.15 0.35 0.00 0.00 0.00 179.25 179.92 3he3 h PHE 264 N 0.73 0.31 -0.63 0.00 3.57 -1.33 -1.74 116.94 117.85 3he3 h PHE 264 Ca 0.16 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.46 3he3 h PHE 264 Cb 0.28 -0.10 -0.12 0.00 2.79 0.00 0.00 35.95 38.79 3he3 h PHE 264 CO 0.01 0.21 0.21 1.19 -2.23 0.00 0.00 178.31 177.70 3he3 n PHE 265 N -4.49 2.06 -3.92 0.41 3.01 -0.76 -4.94 117.46 108.83 3he3 n PHE 265 Ca 0.01 -1.28 -0.30 0.00 1.01 0.00 0.00 57.45 56.88 3he3 n PHE 265 Cb 0.08 -0.62 0.03 0.00 -0.01 0.00 0.00 39.48 38.95 3he3 n PHE 265 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3he3 n ASP 266 N -0.47 -4.80 -3.75 4.37 8.00 -0.65 -2.02 116.55 117.21 3he3 n ASP 266 Ca 0.39 -0.78 -0.29 0.00 0.71 0.00 0.00 54.79 54.82 3he3 n ASP 266 Cb 1.28 -3.89 -0.02 0.00 -0.02 0.00 0.00 41.12 38.48 3he3 n ASP 266 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3he3 n PHE 267 N -4.69 -1.77 0.28 1.24 3.72 0.25 -4.81 117.46 111.68 3he3 n PHE 267 Ca 0.04 0.61 0.15 0.00 -0.05 0.00 0.00 57.45 58.21 3he3 n PHE 267 Cb 0.53 -2.84 0.85 0.00 -0.94 0.00 0.00 39.48 37.08 3he3 n PHE 267 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3he3 n TYR 269 N -3.54 0.00 0.00 0.00 4.01 -1.26 -5.10 117.16 111.27 3he3 n TYR 269 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3he3 n TYR 269 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.85 1.67 3.62 2.72 0.00 -0.50 -5.01 105.19 108.54 3he3 n GLY 270 Ca 0.08 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.54 3.92 -0.11 1.61 2.47 -1.26 -4.73 119.74 120.09 3he3 s LYS 271 Ca 0.00 0.91 -0.30 0.00 -1.56 0.00 0.00 55.97 55.03 3he3 s LYS 271 Cb 0.00 -3.82 -0.03 0.00 -1.46 0.00 0.00 37.83 32.52 3he3 s LYS 271 CO 0.00 -1.12 1.31 -1.17 0.16 0.00 0.00 175.35 174.54 3he3 s LEU 272 N 4.07 4.23 0.01 5.43 0.20 -1.26 -4.95 118.68 126.41 3he3 s LEU 272 Ca 0.48 1.83 -0.30 0.00 0.69 0.00 0.00 54.13 56.82 3he3 s LEU 272 Cb -0.11 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.04 3he3 s LEU 272 CO 0.22 -0.74 1.65 -2.84 -0.29 0.00 0.00 176.35 174.36 3he3 s PRO 273 N 3.18 4.20 -0.03 0.98 0.02 -1.26 -5.00 135.00 137.09 3he3 s PRO 273 Ca 0.58 2.26 0.07 0.00 0.02 0.00 0.00 61.00 63.93 3he3 s PRO 273 Cb -0.25 -3.80 -0.02 0.00 0.02 0.00 0.00 34.50 30.46 3he3 s PRO 273 CO 0.19 -0.78 -0.25 0.71 -0.33 0.00 0.00 177.00 176.54 3he3 s TYR 274 N 3.33 2.24 0.05 6.54 1.51 -1.26 -3.54 117.35 126.22 3he3 s TYR 274 Ca 0.74 -0.48 -0.16 0.00 -1.01 0.00 0.00 57.07 56.15 3he3 s TYR 274 Cb -0.36 -1.45 -0.06 0.00 -0.11 0.00 0.00 41.96 39.97 3he3 s TYR 274 CO 0.31 -0.08 0.49 0.50 -1.11 0.00 0.00 175.55 175.66 3he3 s ARG 275 N -0.48 4.03 0.51 -0.62 6.06 0.16 -4.89 118.95 123.73 3he3 s ARG 275 Ca 0.06 0.54 0.02 0.00 -2.50 0.00 0.00 55.73 53.86 3he3 s ARG 275 Cb -0.10 -3.18 -0.01 0.00 0.06 0.00 0.00 34.95 31.72 3he3 s ARG 275 CO 0.00 0.64 0.06 0.45 -2.50 0.00 0.00 175.30 173.95 3he3 s SER 276 N -1.21 4.20 0.01 -2.12 0.15 -0.87 -1.17 113.70 112.70 3he3 s SER 276 Ca 0.28 -1.58 -0.03 0.00 0.70 0.00 0.00 55.95 55.32 3he3 s SER 276 Cb -0.17 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.59 3he3 s SER 276 CO 0.17 -0.87 0.05 -0.76 1.20 0.00 0.00 173.24 173.02 3he3 s LEU 277 N -3.93 1.90 -0.08 3.45 1.43 -1.26 -1.40 118.68 118.78 3he3 s LEU 277 Ca 0.11 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3he3 s LEU 277 Cb 0.01 0.37 -0.02 0.00 0.03 0.00 0.00 46.19 46.59 3he3 s LEU 277 CO 0.06 -0.32 -0.15 -0.70 0.23 0.00 0.00 176.35 175.47 3he3 s GLU 278 N -1.38 2.88 -0.14 1.70 2.12 0.16 -4.84 118.70 119.20 3he3 s GLU 278 Ca -0.15 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.48 3he3 s GLU 278 Cb -0.09 -2.46 -0.00 0.00 0.26 0.00 0.00 34.13 31.84 3he3 s GLU 278 CO 0.00 0.43 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.93 3he3 s PHE 279 N -0.22 2.76 -0.32 5.30 0.40 -1.26 -0.40 117.98 124.23 3he3 s PHE 279 Ca 0.00 -0.96 -0.01 0.00 -0.60 0.00 0.00 56.93 55.36 3he3 s PHE 279 Cb -0.13 -1.86 0.07 0.00 0.51 0.00 0.00 43.02 41.61 3he3 s PHE 279 CO 0.03 -0.41 0.03 1.03 0.70 0.00 0.00 175.22 176.60 3he3 s ARG 280 N 0.66 2.25 0.18 0.44 0.52 -0.52 -4.97 118.95 117.50 3he3 s ARG 280 Ca -0.08 -1.43 -0.16 0.00 -0.52 0.00 0.00 55.73 53.54 3he3 s ARG 280 Cb -0.16 -3.24 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 3he3 s ARG 280 CO 0.02 -0.73 0.61 -1.01 0.02 0.00 0.00 175.30 174.21 3he3 s HIS 281 N 1.19 3.61 -0.01 -0.53 3.76 -1.26 -1.51 115.29 120.54 3he3 s HIS 281 Ca -0.02 1.17 -0.05 0.00 -0.15 0.00 0.00 55.06 56.02 3he3 s HIS 281 Cb -0.20 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.03 3he3 s HIS 281 CO -0.03 0.39 0.10 -1.21 -0.85 0.00 0.00 174.74 173.14 3he3 s GLU 282 N -1.99 0.33 -0.14 1.40 2.02 -0.37 -5.00 118.70 114.94 3he3 s GLU 282 Ca 0.40 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 55.16 3he3 s GLU 282 Cb -0.15 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.22 3he3 s GLU 282 CO 0.20 -0.07 -0.20 0.99 0.02 0.00 0.00 175.26 176.20 3he3 s THR 283 N -0.91 2.29 -0.02 3.63 2.01 -1.26 -0.75 115.64 120.63 3he3 s THR 283 Ca -0.10 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.04 3he3 s THR 283 Cb -0.06 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3he3 s THR 283 CO 0.01 0.54 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.34 3he3 s HIS 284 N 0.79 2.71 -1.48 4.92 3.76 0.29 -4.98 115.29 121.30 3he3 s HIS 284 Ca -0.07 -0.15 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 3he3 s HIS 284 Cb -0.16 -1.60 0.03 0.00 1.11 0.00 0.00 32.58 31.96 3he3 s HIS 284 CO -0.01 0.23 2.32 -3.47 -0.85 0.00 0.00 174.74 172.97 3he3 n ASP 285 N 2.04 4.58 -3.50 1.40 2.03 -1.26 -1.80 116.55 120.04 3he3 n ASP 285 Ca -0.17 -2.81 -0.09 0.00 0.52 0.00 0.00 54.79 52.24 3he3 n ASP 285 Cb 0.52 -1.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.26 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 2.98 0.00 0.12 5.18 -1.32 -1.25 -5.00 115.64 116.36 3he3 s THR 286 Ca 0.50 -0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.95 3he3 s THR 286 Cb 0.14 -1.08 -0.21 0.00 -1.51 0.00 0.00 72.50 69.84 3he3 s THR 286 CO -0.08 0.00 1.27 -0.33 -2.21 0.00 0.00 174.62 173.27 3he3 h GLU 287 N 2.00 0.11 -3.28 7.08 5.08 -1.85 -1.98 114.58 121.74 3he3 h GLU 287 Ca -0.25 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 57.75 3he3 h GLU 287 Cb 1.26 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 30.29 3he3 h GLU 287 CO 0.32 1.03 -0.53 -1.14 -1.00 0.00 0.00 179.01 177.69 3he3 s GLN 288 N -2.82 0.18 -0.08 2.33 0.74 -1.26 -4.60 119.66 114.14 3he3 s GLN 288 Ca -0.01 0.29 0.03 0.00 0.05 0.00 0.00 55.36 55.72 3he3 s GLN 288 Cb 0.09 0.02 -0.07 0.00 1.10 0.00 0.00 33.01 34.15 3he3 s GLN 288 CO 0.84 -0.06 -0.03 -0.11 -0.55 0.00 0.00 175.29 175.38 3he3 n LEU 289 N 3.34 1.47 -4.52 3.68 7.94 -1.26 -5.05 117.00 122.61 3he3 n LEU 289 Ca -0.16 -0.02 -0.29 0.00 -1.11 0.00 0.00 56.01 54.43 3he3 n LEU 289 Cb 0.57 -0.06 -0.11 0.00 0.53 0.00 0.00 43.42 44.35 3he3 n LEU 289 CO 0.19 0.40 -0.46 -0.76 -1.11 0.00 0.00 177.39 175.65 3he3 s LEU 290 N -4.99 2.79 0.28 -1.96 1.43 -1.26 -5.04 118.68 109.93 3he3 s LEU 290 Ca -0.07 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3he3 s LEU 290 Cb 0.02 -1.58 0.41 0.00 0.03 0.00 0.00 46.19 45.08 3he3 s LEU 290 CO 0.24 0.15 1.69 -0.65 0.23 0.00 0.00 176.35 178.01 3he3 h PRO 291 N 3.46 0.33 0.00 1.29 0.11 -1.97 -3.47 132.00 131.75 3he3 h PRO 291 Ca -0.49 -0.15 -0.01 0.00 0.11 0.00 0.00 66.00 65.46 3he3 h PRO 291 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3he3 h PRO 291 CO 0.49 0.67 -0.01 0.25 -0.21 0.00 0.00 178.00 179.18 3he3 n THR 292 N -4.05 0.00 -0.21 -1.15 -2.24 -1.26 -5.07 114.28 100.31 3he3 n THR 292 Ca -0.01 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.64 3he3 n THR 292 Cb 0.47 0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.04 0.92 -5.14 3.38 0.00 -1.87 -3.43 103.07 96.98 3he3 h GLY 293 Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.67 3he3 h GLY 293 CO 0.01 0.45 -0.55 -1.59 0.00 0.00 0.00 176.54 174.86 3he3 s THR 294 N -5.63 0.04 -0.18 4.70 2.01 -1.26 -1.17 115.64 114.17 3he3 s THR 294 Ca -0.13 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3he3 s THR 294 Cb 0.13 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.37 3he3 s THR 294 CO 0.79 -0.20 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.64 3he3 s VAL 295 N -0.64 2.03 0.26 3.82 1.01 -0.13 -2.41 120.40 124.35 3he3 s VAL 295 Ca -0.07 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.76 3he3 s VAL 295 Cb -0.04 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 3he3 s VAL 295 CO 0.01 0.52 0.78 0.20 0.00 0.00 0.00 175.10 176.60 3he3 s ASN 296 N 1.30 7.06 -0.63 3.32 -0.87 0.72 -1.65 114.94 124.19 3he3 s ASN 296 Ca 0.05 1.49 0.05 0.00 -1.57 0.00 0.00 52.86 52.87 3he3 s ASN 296 Cb -0.13 -2.45 0.18 0.00 -0.02 0.00 0.00 41.25 38.83 3he3 s ASN 296 CO -0.13 -0.04 0.50 -1.22 -2.57 0.00 0.00 177.10 173.65 3he3 n TYR 297 N 0.47 2.33 0.18 2.20 4.02 0.59 -0.99 117.16 125.96 3he3 n TYR 297 Ca -0.00 -4.06 0.06 0.00 -0.01 0.00 0.00 57.90 53.88 3he3 n TYR 297 Cb 0.51 -0.43 0.52 0.00 -0.02 0.00 0.00 39.34 39.93 3he3 n TYR 297 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3he3 h PRO 298 N 5.22 0.13 0.00 -0.72 0.11 -1.82 -3.31 132.00 131.61 3he3 h PRO 298 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3he3 h PRO 298 Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3he3 h PRO 298 CO 0.65 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.71 3he3 n ASN 299 N -4.42 0.99 -4.06 -2.05 3.02 -1.26 -2.58 115.26 104.90 3he3 n ASN 299 Ca -0.01 -1.32 -0.09 0.00 -0.03 0.00 0.00 54.58 53.12 3he3 n ASN 299 Cb 0.16 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.32 0.56 0.31 6.41 1.11 -1.25 -5.13 116.67 118.36 3he3 s ASP 300 Ca 0.00 -0.79 0.00 0.00 0.18 0.00 0.00 52.55 51.94 3he3 s ASP 300 Cb 0.00 0.13 0.00 0.00 1.07 0.00 0.00 42.92 44.12 3he3 s ASP 300 CO 0.00 -0.43 0.00 -1.22 1.18 0.00 0.00 175.17 174.70 3he3 n TYR 301 N 0.73 -2.30 0.02 4.23 4.01 -1.26 -4.71 117.16 117.88 3he3 n TYR 301 Ca -0.18 1.21 -0.10 0.00 -0.16 0.00 0.00 57.90 58.68 3he3 n TYR 301 Cb 0.58 -2.09 -0.13 0.00 -0.31 0.00 0.00 39.34 37.39 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 -0.85 0.57 -2.27 -0.72 0.00 -1.96 -3.46 119.26 110.57 3he3 h ALA 302 Ca -0.06 -1.25 -0.49 0.00 0.00 0.00 0.00 54.91 53.11 3he3 h ALA 302 Cb 0.83 0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.93 3he3 h ALA 302 CO 0.03 1.42 0.37 1.52 0.00 0.00 0.00 179.25 182.58 3he3 s TYR 303 N -2.63 3.52 -0.03 0.00 -0.85 -1.26 -4.59 117.35 111.50 3he3 s TYR 303 Ca -0.04 1.35 0.12 0.00 -0.52 0.00 0.00 57.07 57.98 3he3 s TYR 303 Cb 0.08 -2.73 -0.22 0.00 0.38 0.00 0.00 41.96 39.48 3he3 s TYR 303 CO 0.83 -0.46 0.75 1.79 -1.52 0.00 0.00 175.55 176.93 3he3 h THR 304 N 0.46 0.91 -1.84 -3.49 1.35 -1.47 -3.44 112.91 105.38 3he3 h THR 304 Ca -0.46 -2.72 0.04 0.00 -0.55 0.00 0.00 66.41 62.73 3he3 h THR 304 Cb 1.19 2.43 -0.20 0.00 -1.73 0.00 0.00 68.15 69.84 3he3 h THR 304 CO 0.62 0.52 0.43 0.00 -0.25 0.00 0.00 175.52 176.84 3he3 s ARG 305 N -2.64 0.78 0.01 4.72 1.70 -1.26 -0.30 118.95 121.96 3he3 s ARG 305 Ca -0.04 0.09 0.03 0.00 -0.47 0.00 0.00 55.73 55.34 3he3 s ARG 305 Cb 0.08 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 3he3 s ARG 305 CO 0.82 -0.26 -0.05 0.08 -1.08 0.00 0.00 175.30 174.81 3he3 s VAL 306 N -1.53 3.80 0.03 4.99 1.01 -0.66 -2.55 120.40 125.49 3he3 s VAL 306 Ca -0.03 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3he3 s VAL 306 Cb -0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3he3 s VAL 306 CO 0.02 0.37 -0.11 -0.44 0.00 0.00 0.00 175.10 174.94 3he3 s SER 307 N -1.52 1.29 -0.30 3.32 0.01 -0.82 -0.96 113.70 114.74 3he3 s SER 307 Ca 0.18 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.07 3he3 s SER 307 Cb -0.11 -0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.13 3he3 s SER 307 CO 0.09 -0.01 -0.02 -0.70 0.41 0.00 0.00 173.24 173.01 3he3 s GLU 308 N -1.01 1.78 0.33 12.44 2.12 -0.31 -1.57 118.70 132.47 3he3 s GLU 308 Ca -0.01 -1.56 0.03 0.00 0.36 0.00 0.00 54.97 53.79 3he3 s GLU 308 Cb -0.07 -2.98 0.63 0.00 0.26 0.00 0.00 34.13 31.96 3he3 s GLU 308 CO 0.01 -0.76 1.95 0.74 -0.54 0.00 0.00 175.26 176.65 3he3 h PHE 309 N 7.72 0.90 -0.73 5.30 -1.00 -1.81 -2.39 116.94 124.93 3he3 h PHE 309 Ca -0.12 0.02 0.13 0.00 2.81 0.00 0.00 57.97 60.82 3he3 h PHE 309 Cb 1.03 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 40.25 3he3 h PHE 309 CO 0.53 0.49 0.48 0.87 -1.61 0.00 0.00 178.31 179.08 3he3 h LYS 310 N 0.90 0.43 -0.95 1.51 1.57 -1.84 0.53 116.57 118.72 3he3 h LYS 310 Ca 0.33 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.14 3he3 h LYS 310 Cb 0.17 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 3he3 h LYS 310 CO -0.11 0.29 0.61 0.45 -0.57 0.00 0.00 179.45 180.12 3he3 h HIS 311 N 0.45 1.15 0.25 -1.35 3.86 -1.77 0.05 115.15 117.78 3he3 h HIS 311 Ca 0.35 0.03 -0.34 0.00 -1.16 0.00 0.00 60.37 59.25 3he3 h HIS 311 Cb 0.74 -0.38 0.04 0.00 1.06 0.00 0.00 27.41 28.87 3he3 h HIS 311 CO -0.00 0.63 -1.53 0.82 0.86 0.00 0.00 177.93 178.71 3he3 h ILE 312 N 1.16 1.23 0.00 2.45 2.04 -0.20 -3.35 117.51 120.83 3he3 h ILE 312 Ca 0.39 -2.67 -0.08 0.00 1.00 0.00 0.00 64.86 63.51 3he3 h ILE 312 Cb 0.08 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3he3 h ILE 312 CO -0.15 0.82 -1.10 0.71 0.00 0.00 0.00 178.15 178.43 3he3 h THR 313 N 0.14 0.25 -0.05 -0.27 1.35 -0.78 -3.47 112.91 110.09 3he3 h THR 313 Ca -0.27 -1.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 3he3 h THR 313 Cb 2.17 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 70.37 3he3 h THR 313 CO 0.26 0.15 -0.02 0.61 -0.25 0.00 0.00 175.52 176.27 3he3 n GLY 314 N 1.27 0.49 3.77 5.82 0.00 0.00 -5.00 105.19 111.54 3he3 n GLY 314 Ca -0.04 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.95 4.37 -0.14 1.61 0.74 -1.24 -5.02 119.66 119.03 3he3 s GLN 315 Ca 0.00 2.03 -0.10 0.00 0.05 0.00 0.00 55.36 57.34 3he3 s GLN 315 Cb 0.00 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.04 3he3 s GLN 315 CO 0.00 -0.10 0.20 0.50 -0.55 0.00 0.00 175.29 175.33 3he3 s ARG 316 N -1.80 3.92 -0.07 1.67 3.52 -1.26 -4.87 118.95 120.07 3he3 s ARG 316 Ca 0.49 -0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.74 3he3 s ARG 316 Cb -0.36 -3.32 0.10 0.00 -1.56 0.00 0.00 34.95 29.81 3he3 s ARG 316 CO 0.47 0.49 0.87 -1.58 -0.81 0.00 0.00 175.30 174.74 3he3 s HIS 317 N -0.24 -0.44 -0.64 5.12 2.46 -1.26 -5.04 115.29 115.26 3he3 s HIS 317 Ca 0.14 0.59 0.26 0.00 0.47 0.00 0.00 55.06 56.52 3he3 s HIS 317 Cb -0.12 0.48 0.79 0.00 -0.13 0.00 0.00 32.58 33.59 3he3 s HIS 317 CO 0.03 -0.49 1.75 1.12 -2.47 0.00 0.00 174.74 174.68 3he3 h HIS 318 N 2.45 0.00 -1.16 3.88 2.07 -1.96 -3.45 115.15 116.98 3he3 h HIS 318 Ca -0.22 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.66 3he3 h HIS 318 Cb 1.19 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 31.04 3he3 h HIS 318 CO 0.30 0.00 -0.54 -0.65 -3.07 0.00 0.00 177.93 173.97 3he3 s GLN 319 N -3.16 2.07 0.04 5.12 -0.21 -1.26 -3.71 119.66 118.55 3he3 s GLN 319 Ca 0.09 -2.27 0.02 0.00 0.02 0.00 0.00 55.36 53.22 3he3 s GLN 319 Cb 0.11 -1.37 -0.02 0.00 1.00 0.00 0.00 33.01 32.72 3he3 s GLN 319 CO 0.58 -0.30 -0.07 -0.08 -2.12 0.00 0.00 175.29 173.30 3he3 s THR 320 N -2.92 0.49 0.00 -0.19 -1.32 -0.74 -4.74 115.64 106.23 3he3 s THR 320 Ca 0.17 -1.06 0.08 0.00 -1.21 0.00 0.00 61.69 59.67 3he3 s THR 320 Cb 0.04 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.44 3he3 s THR 320 CO 0.09 -0.40 -0.25 -0.44 -2.21 0.00 0.00 174.62 171.41 3he3 s SER 321 N -1.57 2.94 0.19 8.08 0.01 -1.26 -0.55 113.70 121.55 3he3 s SER 321 Ca -0.11 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.68 3he3 s SER 321 Cb -0.10 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 3he3 s SER 321 CO 0.00 0.28 0.00 0.68 0.41 0.00 0.00 173.24 174.62 3he3 s VAL 322 N -0.66 0.77 -0.02 3.43 -7.23 0.07 -2.77 120.40 114.00 3he3 s VAL 322 Ca 0.10 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3he3 s VAL 322 Cb -0.10 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.65 3he3 s VAL 322 CO 0.00 -0.41 -0.02 0.54 -0.31 0.00 0.00 175.10 174.90 3he3 s VAL 323 N -3.59 0.27 -0.14 1.32 0.11 -0.61 -1.24 120.40 116.52 3he3 s VAL 323 Ca 0.26 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.21 3he3 s VAL 323 Cb 0.06 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3he3 s VAL 323 CO 0.06 0.13 0.04 -0.31 -3.33 0.00 0.00 175.10 171.68 3he3 s TYR 324 N 0.51 3.24 -0.21 1.54 2.02 -0.57 -1.94 117.35 121.95 3he3 s TYR 324 Ca -0.05 0.12 -0.07 0.00 -0.37 0.00 0.00 57.07 56.70 3he3 s TYR 324 Cb -0.08 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 3he3 s TYR 324 CO -0.01 0.30 0.04 -1.21 -1.57 0.00 0.00 175.55 173.11 3he3 s GLU 325 N -0.20 3.75 -0.23 -0.62 2.02 -1.06 -1.44 118.70 120.93 3he3 s GLU 325 Ca 0.07 -0.45 -0.03 0.00 0.02 0.00 0.00 54.97 54.58 3he3 s GLU 325 Cb -0.12 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3he3 s GLU 325 CO 0.02 0.04 -0.05 0.71 0.02 0.00 0.00 175.26 176.00 3he3 s TYR 326 N 0.97 2.98 0.21 1.61 1.51 0.46 -1.23 117.35 123.85 3he3 s TYR 326 Ca 0.03 -1.13 -0.31 0.00 -1.01 0.00 0.00 57.07 54.65 3he3 s TYR 326 Cb -0.14 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.51 3he3 s TYR 326 CO 0.02 -0.61 1.55 -2.14 -1.11 0.00 0.00 175.55 173.27 3he3 s PRO 327 N 1.43 4.21 0.08 -1.71 0.02 -1.26 0.36 135.00 138.13 3he3 s PRO 327 Ca 0.04 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.53 3he3 s PRO 327 Cb -0.15 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3he3 s PRO 327 CO -0.04 -0.57 -0.20 1.03 -0.33 0.00 0.00 177.00 176.89 3he3 s ARG 328 N 0.55 1.18 -0.01 5.54 1.81 -0.50 -4.84 118.95 122.67 3he3 s ARG 328 Ca 0.67 -1.05 -0.20 0.00 -1.72 0.00 0.00 55.73 53.42 3he3 s ARG 328 Cb -0.44 -1.36 -0.28 0.00 -0.45 0.00 0.00 34.95 32.42 3he3 s ARG 328 CO 0.36 0.33 1.01 0.00 -0.68 0.00 0.00 175.30 176.32 3he3 h ALA 329 N 4.40 -0.01 -2.16 2.13 0.00 -1.94 -2.31 119.26 119.36 3he3 h ALA 329 Ca -0.44 -0.65 -0.55 0.00 0.00 0.00 0.00 54.91 53.27 3he3 h ALA 329 Cb 1.17 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3he3 h ALA 329 CO 0.41 0.40 -0.61 -1.21 0.00 0.00 0.00 179.25 178.24 3he3 s GLU 330 N -2.83 2.40 0.00 0.00 8.01 -1.26 -4.54 118.70 120.49 3he3 s GLU 330 Ca -0.13 -1.38 0.00 0.00 0.01 0.00 0.00 54.97 53.47 3he3 s GLU 330 Cb 0.02 -2.23 0.00 0.00 -4.31 0.00 0.00 34.13 27.62 3he3 s GLU 330 CO 0.84 0.34 0.00 0.41 0.01 0.00 0.00 175.26 176.86 3he3 n GLY 331 N -0.97 0.51 3.74 -1.39 0.00 -1.26 -4.78 105.19 101.03 3he3 n GLY 331 Ca -0.06 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 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 0.64 3.42 -4.67 1.61 9.92 -1.26 -4.89 116.55 121.33 3he3 n ASP 332 Ca 0.00 1.20 -0.43 0.00 -0.53 0.00 0.00 54.79 55.03 3he3 n ASP 332 Cb 0.00 -1.56 -0.02 0.00 -0.64 0.00 0.00 41.12 38.90 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 -1.54 4.28 -0.02 -0.24 0.02 -1.26 -4.35 135.00 131.88 3he3 s PRO 333 Ca 0.57 1.58 0.02 0.00 0.02 0.00 0.00 61.00 63.20 3he3 s PRO 333 Cb -0.52 -3.68 -0.03 0.00 0.02 0.00 0.00 34.50 30.29 3he3 s PRO 333 CO 0.59 -0.61 0.00 0.66 -0.33 0.00 0.00 177.00 177.31 3he3 n TYR 334 N 6.13 0.00 -4.79 6.54 4.02 -0.51 -5.02 117.16 123.52 3he3 n TYR 334 Ca 0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.75 3he3 n TYR 334 Cb 0.46 -0.12 -0.16 0.00 -0.02 0.00 0.00 39.34 39.50 3he3 n TYR 334 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3he3 s TYR 335 N -2.06 1.76 0.75 -0.72 1.51 -0.32 -4.97 117.35 113.31 3he3 s TYR 335 Ca -0.02 -0.63 -0.13 0.00 -1.01 0.00 0.00 57.07 55.28 3he3 s TYR 335 Cb 0.01 -1.23 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 3he3 s TYR 335 CO 0.09 -0.27 1.12 -2.14 -1.11 0.00 0.00 175.55 173.24 3he3 s PRO 336 N 0.41 2.25 -0.64 -1.71 0.02 -1.26 0.38 135.00 134.45 3he3 s PRO 336 Ca -0.12 1.39 -0.00 0.00 0.02 0.00 0.00 61.00 62.28 3he3 s PRO 336 Cb -0.15 -1.88 0.16 0.00 0.02 0.00 0.00 34.50 32.65 3he3 s PRO 336 CO 0.04 -1.68 0.44 0.08 -0.33 0.00 0.00 177.00 175.55 3he3 s VAL 337 N -2.53 3.43 -0.37 3.83 1.01 -1.23 -4.72 120.40 119.82 3he3 s VAL 337 Ca 0.66 -3.29 -0.28 0.00 0.00 0.00 0.00 61.98 59.07 3he3 s VAL 337 Cb -0.21 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3he3 s VAL 337 CO 0.50 -0.89 1.97 -2.84 0.00 0.00 0.00 175.10 173.83 3he3 s PRO 338 N -0.41 3.05 0.12 2.72 0.02 -1.26 -4.70 135.00 134.54 3he3 s PRO 338 Ca 0.19 1.43 -0.24 0.00 0.02 0.00 0.00 61.00 62.40 3he3 s PRO 338 Cb -0.19 -4.31 0.07 0.00 0.02 0.00 0.00 34.50 30.10 3he3 s PRO 338 CO -0.05 -2.20 0.63 -0.98 -0.33 0.00 0.00 177.00 174.08 3he3 s ARG 339 N 6.31 1.22 0.22 5.54 1.70 -1.26 -0.65 118.95 132.02 3he3 s ARG 339 Ca 0.84 -0.38 -0.11 0.00 -0.47 0.00 0.00 55.73 55.61 3he3 s ARG 339 Cb -0.23 0.56 0.32 0.00 -0.57 0.00 0.00 34.95 35.03 3he3 s ARG 339 CO 0.31 -0.52 1.64 -1.35 -1.08 0.00 0.00 175.30 174.30 3he3 h PRO 340 N 2.10 0.07 0.00 3.89 0.11 -1.91 -0.47 132.00 135.80 3he3 h PRO 340 Ca -0.32 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 3he3 h PRO 340 Cb 1.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3he3 h PRO 340 CO 0.37 0.05 -0.22 1.05 -0.21 0.00 0.00 178.00 179.04 3he3 h GLU 341 N 0.07 0.00 0.08 1.05 9.09 -1.96 -2.06 114.58 120.85 3he3 h GLU 341 Ca 0.34 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.45 3he3 h GLU 341 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.64 3he3 h GLU 341 CO -0.61 0.22 -1.64 -0.91 0.05 0.00 0.00 179.01 176.13 3he3 h ASN 342 N 0.00 0.26 0.58 3.06 2.35 -1.58 -3.07 115.58 117.17 3he3 h ASN 342 Ca -0.00 -0.43 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 3he3 h ASN 342 Cb 0.48 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 3he3 h ASN 342 CO 0.03 1.37 -0.15 0.00 -1.65 0.00 0.00 177.43 177.03 3he3 h ALA 343 N 0.59 1.17 -0.15 -0.83 0.00 -1.03 -0.51 119.26 118.50 3he3 h ALA 343 Ca -0.27 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 3he3 h ALA 343 Cb 2.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3he3 h ALA 343 CO 0.12 0.19 -0.48 1.49 0.00 0.00 0.00 179.25 180.57 3he3 h GLU 344 N 0.00 0.59 -0.21 0.00 4.57 -1.43 -2.75 114.58 115.35 3he3 h GLU 344 Ca -0.00 -0.44 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 3he3 h GLU 344 Cb 0.48 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3he3 h GLU 344 CO 0.02 1.06 -0.40 1.25 -1.18 0.00 0.00 179.01 179.76 3he3 h LEU 345 N 0.24 0.72 -1.72 1.64 6.46 -1.35 -2.98 115.31 118.33 3he3 h LEU 345 Ca -0.02 -0.54 -0.01 0.00 -0.12 0.00 0.00 57.88 57.19 3he3 h LEU 345 Cb 1.10 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 3he3 h LEU 345 CO 0.10 1.12 0.04 0.22 -0.62 0.00 0.00 178.44 179.30 3he3 h TYR 346 N 0.34 0.21 -0.80 1.25 3.20 -1.18 -2.24 116.97 117.75 3he3 h TYR 346 Ca 0.01 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 3he3 h TYR 346 Cb 0.99 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 39.10 3he3 h TYR 346 CO 0.09 0.19 0.34 -0.22 -1.64 0.00 0.00 178.16 176.92 3he3 h LYS 347 N 0.22 0.45 -0.23 1.82 1.63 -1.32 0.39 116.57 119.53 3he3 h LYS 347 Ca 0.05 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.67 3he3 h LYS 347 Cb 0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 3he3 h LYS 347 CO -0.00 0.30 -0.46 0.87 -3.45 0.00 0.00 179.45 176.70 3he3 h LYS 348 N 0.46 0.72 -0.22 1.90 1.79 -1.47 -2.67 116.57 117.08 3he3 h LYS 348 Ca 0.45 -0.47 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 3he3 h LYS 348 Cb 0.71 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 3he3 h LYS 348 CO -0.42 1.09 -0.23 1.88 -1.08 0.00 0.00 179.45 180.69 3he3 h TYR 349 N 0.44 0.43 -0.60 -1.35 -1.99 -1.28 -2.62 116.97 110.00 3he3 h TYR 349 Ca 0.01 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 3he3 h TYR 349 Cb 1.07 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 39.66 3he3 h TYR 349 CO 0.08 0.60 0.21 1.49 -0.00 0.00 0.00 178.16 180.54 3he3 h GLU 350 N 0.36 0.88 -0.30 4.88 4.81 -0.12 -1.26 114.58 123.83 3he3 h GLU 350 Ca 0.06 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 3he3 h GLU 350 Cb 0.60 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3he3 h GLU 350 CO 0.04 0.74 0.06 0.00 -0.73 0.00 0.00 179.01 179.12 3he3 h ALA 351 N 1.37 0.39 -0.36 2.92 0.00 -1.12 -1.00 119.26 121.45 3he3 h ALA 351 Ca 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3he3 h ALA 351 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3he3 h ALA 351 CO -0.01 0.08 0.21 -0.07 0.00 0.00 0.00 179.25 179.46 3he3 h LEU 352 N 0.31 0.35 -1.00 0.00 3.38 -1.32 -2.03 115.31 115.00 3he3 h LEU 352 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3he3 h LEU 352 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3he3 h LEU 352 CO 0.00 0.25 0.57 0.00 0.09 0.00 0.00 178.44 179.35 3he3 h ALA 353 N 1.16 1.25 -0.64 1.53 0.00 -0.99 0.87 119.26 122.44 3he3 h ALA 353 Ca 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3he3 h ALA 353 Cb -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3he3 h ALA 353 CO -0.06 0.65 0.17 -0.44 0.00 0.00 0.00 179.25 179.56 3he3 h ASP 354 N 1.27 0.96 1.20 0.00 3.45 -1.05 -2.75 116.42 119.50 3he3 h ASP 354 Ca 0.33 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3he3 h ASP 354 Cb -0.07 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.45 3he3 h ASP 354 CO -0.06 0.94 0.00 0.00 -1.57 0.00 0.00 179.24 178.55 3he3 h ALA 355 N 1.06 1.00 -2.05 3.45 0.00 -0.56 -3.44 119.26 118.73 3he3 h ALA 355 Ca 0.20 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.54 3he3 h ALA 355 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3he3 h ALA 355 CO 0.00 0.00 1.39 0.00 0.00 0.00 0.00 179.25 180.64 3he3 s ALA 356 N -3.44 2.94 0.00 0.00 0.00 0.21 -4.92 121.76 116.55 3he3 s ALA 356 Ca 0.04 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3he3 s ALA 356 Cb 0.09 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.20 3he3 s ALA 356 CO 0.54 -2.49 0.89 1.04 0.00 0.00 0.00 175.76 175.75 3he3 n GLN 357 N 8.41 0.00 -1.67 0.00 6.02 -1.26 -3.66 117.38 125.21 3he3 n GLN 357 Ca 0.26 0.58 -0.34 0.00 -0.01 0.00 0.00 57.00 57.49 3he3 n GLN 357 Cb 0.44 -1.39 0.05 0.00 1.02 0.00 0.00 30.24 30.37 3he3 n GLN 357 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3he3 n ASP 358 N -2.01 7.03 -3.81 1.08 8.00 -1.26 -4.90 116.55 120.68 3he3 n ASP 358 Ca 0.00 -3.79 -0.18 0.00 0.71 0.00 0.00 54.79 51.53 3he3 n ASP 358 Cb 0.00 -0.87 -0.16 0.00 -0.02 0.00 0.00 41.12 40.07 3he3 n ASP 358 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3he3 s VAL 359 N -4.91 0.19 -0.15 2.53 1.01 -1.24 -1.73 120.40 116.10 3he3 s VAL 359 Ca 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 3he3 s VAL 359 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.54 3he3 s VAL 359 CO -0.12 0.16 -0.11 -0.89 0.00 0.00 0.00 175.10 174.14 3he3 s THR 360 N 1.12 3.21 -0.18 3.92 2.01 0.22 -4.82 115.64 121.13 3he3 s THR 360 Ca -0.08 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.24 3he3 s THR 360 Cb -0.13 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3he3 s THR 360 CO -0.02 0.51 0.11 -0.36 -0.69 0.00 0.00 174.62 174.16 3he3 s PHE 361 N 0.51 3.38 -0.04 4.92 0.40 -1.26 -1.11 117.98 124.79 3he3 s PHE 361 Ca -0.07 0.28 -0.21 0.00 -0.60 0.00 0.00 56.93 56.33 3he3 s PHE 361 Cb -0.15 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.33 3he3 s PHE 361 CO 0.04 0.33 0.46 0.54 0.70 0.00 0.00 175.22 177.29 3he3 s VAL 362 N 0.08 0.03 0.00 -0.44 0.11 -0.84 -4.86 120.40 114.48 3he3 s VAL 362 Ca 0.08 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3he3 s VAL 362 Cb -0.12 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3he3 s VAL 362 CO -0.00 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 3he3 n GLY 363 N 1.27 2.00 0.19 6.54 0.00 -1.26 -4.10 105.19 109.82 3he3 n GLY 363 Ca -0.20 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.05 -0.08 1.61 2.43 -1.88 -2.43 114.38 113.97 3he3 h ARG 364 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 3he3 h ARG 364 Cb 0.00 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3he3 h ARG 364 CO 0.00 -0.04 -0.77 -0.07 -1.51 0.00 0.00 179.97 177.58 3he3 h LEU 365 N -0.06 0.82 -0.65 3.80 3.38 -1.83 -1.44 115.31 119.34 3he3 h LEU 365 Ca 0.18 -0.68 -0.13 0.00 0.09 0.00 0.00 57.88 57.34 3he3 h LEU 365 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3he3 h LEU 365 CO -0.40 1.38 -0.61 0.00 0.09 0.00 0.00 178.44 178.91 3he3 h ALA 366 N 0.46 0.87 -0.39 1.53 0.00 -1.18 -3.15 119.26 117.40 3he3 h ALA 366 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3he3 h ALA 366 Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3he3 h ALA 366 CO 0.16 0.76 0.00 0.25 0.00 0.00 0.00 179.25 180.41 3he3 n THR 367 N -3.63 1.03 -3.88 0.00 -2.24 -0.92 -4.44 114.28 100.20 3he3 n THR 367 Ca -0.01 -1.02 -0.26 0.00 -2.27 0.00 0.00 64.05 60.50 3he3 n THR 367 Cb 0.64 0.48 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.62 -1.89 -4.79 4.78 9.36 -0.94 -4.97 117.16 119.33 3he3 n TYR 368 Ca 0.13 0.82 -0.33 0.00 3.32 0.00 0.00 57.90 61.84 3he3 n TYR 368 Cb 0.46 -3.96 -0.14 0.00 -0.63 0.00 0.00 39.34 35.07 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 -6.39 3.27 -1.14 2.98 1.81 -0.59 -4.96 118.95 113.93 3he3 s ARG 369 Ca 0.21 -0.68 -0.20 0.00 -1.72 0.00 0.00 55.73 53.34 3he3 s ARG 369 Cb -0.11 -2.60 -0.05 0.00 -0.45 0.00 0.00 34.95 31.74 3he3 s ARG 369 CO 0.85 0.27 1.95 0.98 -0.68 0.00 0.00 175.30 178.67 3he3 n TYR 370 N 3.35 3.04 -4.08 -0.53 4.19 -1.26 -4.58 117.16 117.28 3he3 n TYR 370 Ca -0.18 -2.15 -0.34 0.00 3.31 0.00 0.00 57.90 58.54 3he3 n TYR 370 Cb 0.53 -2.34 -0.07 0.00 0.49 0.00 0.00 39.34 37.95 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 6.27 3.34 0.61 2.98 1.51 -1.26 -5.12 117.35 125.67 3he3 s TYR 371 Ca 0.58 0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 56.85 3he3 s TYR 371 Cb 0.08 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 3he3 s TYR 371 CO 0.08 0.57 0.90 -0.80 -1.11 0.00 0.00 175.55 175.19 3he3 s ASN 372 N -1.60 5.32 0.17 2.29 0.01 -1.26 -4.90 114.94 114.98 3he3 s ASN 372 Ca 0.22 0.50 -0.16 0.00 -0.71 0.00 0.00 52.86 52.70 3he3 s ASN 372 Cb -0.12 -1.39 0.13 0.00 0.41 0.00 0.00 41.25 40.29 3he3 s ASN 372 CO 0.12 -1.21 1.67 0.24 -1.51 0.00 0.00 177.10 176.41 3he3 h MET 373 N -0.23 0.04 -0.03 -0.60 2.86 -1.93 -0.85 114.93 114.19 3he3 h MET 373 Ca -0.45 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.16 3he3 h MET 373 Cb 1.28 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 3he3 h MET 373 CO 0.59 0.03 -0.12 0.38 1.06 0.00 0.00 176.91 178.84 3he3 h ASP 374 N 0.04 0.05 -0.06 1.22 -0.00 -1.95 -1.91 116.42 113.81 3he3 h ASP 374 Ca 0.22 -0.01 -0.20 0.00 -0.00 0.00 0.00 57.03 57.04 3he3 h ASP 374 Cb 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 3he3 h ASP 374 CO -0.42 0.18 -0.70 1.56 -0.00 0.00 0.00 179.24 179.86 3he3 h GLN 375 N 0.05 0.69 -0.38 4.15 4.20 -1.54 -1.87 115.11 120.42 3he3 h GLN 375 Ca 0.01 -0.52 -0.15 0.00 0.06 0.00 0.00 58.65 58.04 3he3 h GLN 375 Cb 0.25 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3he3 h GLN 375 CO 0.02 1.14 -0.36 0.28 -0.67 0.00 0.00 178.83 179.24 3he3 h VAL 376 N 0.49 1.27 -0.24 -0.54 2.07 -0.93 0.26 116.25 118.63 3he3 h VAL 376 Ca -0.03 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 65.98 3he3 h VAL 376 Cb 1.30 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 3he3 h VAL 376 CO 0.14 0.51 0.07 0.58 0.02 0.00 0.00 177.57 178.89 3he3 h VAL 377 N 0.74 0.92 -0.62 2.57 2.07 -1.36 -0.52 116.25 120.04 3he3 h VAL 377 Ca 0.06 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3he3 h VAL 377 Cb 0.96 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3he3 h VAL 377 CO 0.09 0.03 0.24 0.00 0.02 0.00 0.00 177.57 177.96 3he3 h ALA 378 N 1.16 1.27 -0.47 1.67 0.00 -1.17 -0.78 119.26 120.93 3he3 h ALA 378 Ca 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3he3 h ALA 378 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3he3 h ALA 378 CO -0.12 0.54 0.07 0.37 0.00 0.00 0.00 179.25 180.11 3he3 h GLN 379 N 0.89 0.73 -0.10 0.00 4.15 -0.48 -2.02 115.11 118.28 3he3 h GLN 379 Ca 0.21 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 3he3 h GLN 379 Cb 0.18 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3he3 h GLN 379 CO -0.02 0.70 -0.24 0.00 -1.93 0.00 0.00 178.83 177.34 3he3 h ALA 380 N 1.38 0.16 -0.79 3.38 0.00 -0.29 -1.92 119.26 121.18 3he3 h ALA 380 Ca 0.15 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3he3 h ALA 380 Cb 0.33 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3he3 h ALA 380 CO 0.01 0.14 0.48 -0.07 0.00 0.00 0.00 179.25 179.81 3he3 h LEU 381 N -0.11 0.75 -0.85 0.00 3.38 -1.10 0.43 115.31 117.80 3he3 h LEU 381 Ca -0.00 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3he3 h LEU 381 Cb 0.84 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3he3 h LEU 381 CO 0.05 0.48 -0.21 0.00 0.09 0.00 0.00 178.44 178.85 3he3 h ALA 382 N 1.38 1.02 -0.29 1.53 0.00 -1.34 -2.55 119.26 119.02 3he3 h ALA 382 Ca 0.35 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3he3 h ALA 382 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3he3 h ALA 382 CO -0.17 0.59 -0.24 1.15 0.00 0.00 0.00 179.25 180.57 3he3 h THR 383 N 0.55 1.27 -0.21 0.00 2.02 -0.53 -2.81 112.91 113.19 3he3 h THR 383 Ca 0.08 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 3he3 h THR 383 Cb 0.66 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3he3 h THR 383 CO 0.05 0.41 -0.16 0.15 0.37 0.00 0.00 175.52 176.34 3he3 h PHE 384 N 0.49 0.39 -0.15 3.16 3.57 -0.55 -1.60 116.94 122.24 3he3 h PHE 384 Ca 0.07 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3he3 h PHE 384 Cb 0.68 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3he3 h PHE 384 CO 0.03 0.51 -0.43 0.00 -2.23 0.00 0.00 178.31 176.18 3he3 h ARG 385 N 0.33 0.36 -0.12 1.11 2.47 -1.22 -1.14 114.38 116.18 3he3 h ARG 385 Ca 0.06 -0.18 -0.19 0.00 -1.26 0.00 0.00 59.98 58.41 3he3 h ARG 385 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3he3 h ARG 385 CO 0.03 0.73 -0.71 0.00 0.56 0.00 0.00 179.97 180.58 3he3 h ARG 386 N 0.29 0.52 -0.27 0.04 3.08 -1.33 -0.95 114.38 115.75 3he3 h ARG 386 Ca 0.02 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.58 3he3 h ARG 386 Cb 0.89 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 3he3 h ARG 386 CO 0.07 1.03 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.74 3he3 h LEU 387 N 0.36 0.49 0.00 3.04 4.07 -1.14 -1.81 115.31 120.32 3he3 h LEU 387 Ca -0.03 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3he3 h LEU 387 Cb 1.29 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.89 3he3 h LEU 387 CO 0.13 0.70 0.00 0.00 -1.08 0.00 0.00 178.44 178.19 3he3 n GLN 388 N -4.16 0.18 0.00 1.13 1.13 -0.44 -4.91 117.38 110.31 3he3 n GLN 388 Ca 0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3he3 n GLN 388 Cb 0.37 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3he3 n GLN 388 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3he3 n GLY 389 N 1.18 1.77 0.00 1.08 0.00 -0.66 -5.06 105.19 103.51 3he3 n GLY 389 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3he3 n GLY 389 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14