#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyi s TYR 10 N 0.00 1.35 0.01 1.61 5.04 -1.26 -0.82 117.35 123.28 3gyi s TYR 10 Ca 0.00 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.19 3gyi s TYR 10 Cb 0.00 -1.01 -0.01 0.00 0.35 0.00 0.00 41.96 41.29 3gyi s TYR 10 CO 0.00 -0.26 -0.14 0.08 -1.34 0.00 0.00 175.55 173.89 3gyi s VAL 11 N 0.69 1.07 0.17 3.14 1.01 -0.00 -4.96 120.40 121.51 3gyi s VAL 11 Ca -0.14 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 3gyi s VAL 11 Cb -0.16 -0.92 0.09 0.00 0.00 0.00 0.00 36.38 35.39 3gyi s VAL 11 CO 0.03 0.20 1.63 -0.65 0.00 0.00 0.00 175.10 176.31 3gyi h PRO 12 N 5.51 -0.14 -6.07 2.72 0.11 -1.85 -3.33 132.00 128.95 3gyi h PRO 12 Ca -0.35 0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.14 3gyi h PRO 12 Cb 1.17 0.03 -0.30 0.00 0.11 0.00 0.00 31.00 32.01 3gyi h PRO 12 CO 0.47 -0.09 -0.86 0.00 -0.21 0.00 0.00 178.00 177.31 3gyi s ALA 13 N -6.13 1.84 -0.04 -0.75 0.00 -0.81 -1.23 121.76 114.64 3gyi s ALA 13 Ca -0.14 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3gyi s ALA 13 Cb 0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gyi s ALA 13 CO 0.70 0.43 -0.20 0.08 0.00 0.00 0.00 175.76 176.76 3gyi s VAL 14 N -0.42 2.54 -0.17 0.00 1.01 -0.71 -1.23 120.40 121.43 3gyi s VAL 14 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3gyi s VAL 14 Cb -0.09 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3gyi s VAL 14 CO -0.00 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 3gyi s VAL 15 N -0.54 2.58 -0.24 2.92 1.01 -0.12 -0.96 120.40 125.05 3gyi s VAL 15 Ca 0.08 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3gyi s VAL 15 Cb -0.11 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3gyi s VAL 15 CO 0.01 0.51 0.64 -0.63 0.00 0.00 0.00 175.10 175.63 3gyi s ILE 16 N 1.00 4.99 0.00 2.22 1.01 0.04 -1.07 121.20 129.39 3gyi s ILE 16 Ca -0.02 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3gyi s ILE 16 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3gyi s ILE 16 CO -0.03 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3gyi n GLY 17 N 4.05 -0.07 1.60 6.18 0.00 0.46 0.18 105.19 117.60 3gyi n GLY 17 Ca -0.00 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.23 3gyi n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gyi n THR 18 N 0.05 0.14 -0.28 2.61 -2.24 -1.26 -4.55 114.28 108.75 3gyi n THR 18 Ca 0.00 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 3gyi n THR 18 Cb 0.00 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3gyi n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gyi n GLY 19 N 0.25 0.03 0.11 3.38 0.00 -1.26 -2.08 105.19 105.62 3gyi n GLY 19 Ca 0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 3gyi n GLY 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gyi h TYR 20 N 0.00 -0.18 -0.63 1.61 -1.99 -1.90 0.11 116.97 113.99 3gyi h TYR 20 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gyi h TYR 20 Cb 0.00 0.06 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 3gyi h TYR 20 CO 0.00 0.03 0.40 0.78 -0.00 0.00 0.00 178.16 179.37 3gyi h GLY 21 N -0.36 0.91 0.94 3.88 0.00 -1.84 -2.21 103.07 104.37 3gyi h GLY 21 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3gyi h GLY 21 CO 0.03 0.35 0.15 0.00 0.00 0.00 0.00 176.54 177.08 3gyi h ALA 22 N 1.21 0.45 -0.45 3.60 0.00 -1.77 -2.44 119.26 119.87 3gyi h ALA 22 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3gyi h ALA 22 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3gyi h ALA 22 CO -0.05 0.03 0.07 0.00 0.00 0.00 0.00 179.25 179.31 3gyi h ALA 23 N 1.00 0.60 -0.09 0.00 0.00 -0.60 -0.27 119.26 119.90 3gyi h ALA 23 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gyi h ALA 23 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gyi h ALA 23 CO -0.01 0.33 0.06 0.28 0.00 0.00 0.00 179.25 179.90 3gyi h VAL 24 N 0.61 1.05 -0.50 0.00 2.07 -1.41 -2.00 116.25 116.07 3gyi h VAL 24 Ca 0.14 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3gyi h VAL 24 Cb 0.38 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3gyi h VAL 24 CO 0.01 0.04 -0.07 0.77 0.02 0.00 0.00 177.57 178.34 3gyi h SER 25 N 0.09 0.89 -0.64 0.57 4.64 -1.21 -2.19 113.55 115.70 3gyi h SER 25 Ca 0.03 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3gyi h SER 25 Cb 0.03 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 3gyi h SER 25 CO -0.01 0.99 0.28 0.00 -0.87 0.00 0.00 176.83 177.23 3gyi h ALA 26 N 1.09 0.83 -0.06 5.18 0.00 -1.00 0.15 119.26 125.45 3gyi h ALA 26 Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gyi h ALA 26 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gyi h ALA 26 CO 0.04 0.42 0.01 1.25 0.00 0.00 0.00 179.25 180.97 3gyi h LEU 27 N 0.89 -0.01 -0.65 0.00 5.85 -1.11 -0.53 115.31 119.76 3gyi h LEU 27 Ca 0.22 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 3gyi h LEU 27 Cb 0.17 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3gyi h LEU 27 CO -0.02 0.01 -0.39 0.03 -0.34 0.00 0.00 178.44 177.73 3gyi h ARG 28 N 0.03 0.62 -0.21 1.25 2.47 -1.23 -0.72 114.38 116.59 3gyi h ARG 28 Ca 0.03 -0.31 0.01 0.00 -1.26 0.00 0.00 59.98 58.45 3gyi h ARG 28 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 3gyi h ARG 28 CO -0.04 0.90 0.12 -0.07 0.56 0.00 0.00 179.97 181.44 3gyi h LEU 29 N 0.51 0.20 -1.03 3.04 3.38 -0.85 -1.48 115.31 119.08 3gyi h LEU 29 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3gyi h LEU 29 Cb 0.90 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3gyi h LEU 29 CO 0.08 0.15 0.19 1.23 0.09 0.00 0.00 178.44 180.18 3gyi h GLY 30 N 0.26 0.95 2.00 0.83 0.00 -0.75 -1.34 103.07 105.01 3gyi h GLY 30 Ca 0.08 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3gyi h GLY 30 CO -0.04 0.49 -0.29 0.83 0.00 0.00 0.00 176.54 177.53 3gyi h GLU 31 N 0.86 0.00 -0.00 4.80 5.08 -0.95 -1.25 114.58 123.12 3gyi h GLU 31 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3gyi h GLU 31 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gyi h GLU 31 CO -0.01 0.29 -0.00 0.00 -1.00 0.00 0.00 179.01 178.29 3gyi n ALA 32 N -2.45 2.67 -0.67 3.43 0.00 -0.57 -4.91 120.51 118.01 3gyi n ALA 32 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3gyi n ALA 32 Cb 0.35 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3gyi n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyi n GLY 33 N 1.04 0.64 3.54 0.00 0.00 -0.47 -5.03 105.19 104.91 3gyi n GLY 33 Ca 0.23 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3gyi n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyi s VAL 34 N -2.00 4.87 0.06 1.61 1.01 -0.58 -5.01 120.40 120.35 3gyi s VAL 34 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3gyi s VAL 34 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3gyi s VAL 34 CO 0.00 -0.45 1.73 -1.58 0.00 0.00 0.00 175.10 174.80 3gyi s GLN 35 N 2.73 4.18 -0.01 2.72 2.00 -1.26 -4.03 119.66 125.98 3gyi s GLN 35 Ca 0.23 2.40 0.01 0.00 -2.00 0.00 0.00 55.36 56.00 3gyi s GLN 35 Cb -0.14 -3.74 0.00 0.00 0.80 0.00 0.00 33.01 29.93 3gyi s GLN 35 CO 0.17 -0.80 -0.05 -0.08 -0.50 0.00 0.00 175.29 174.03 3gyi s THR 36 N 3.14 0.43 -0.20 -0.34 -1.32 0.02 -1.93 115.64 115.43 3gyi s THR 36 Ca 0.77 -0.19 -0.05 0.00 -1.21 0.00 0.00 61.69 61.02 3gyi s THR 36 Cb -0.40 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.18 3gyi s THR 36 CO 0.34 0.14 -0.01 -0.22 -2.21 0.00 0.00 174.62 172.66 3gyi s LEU 37 N 0.13 3.18 -0.17 9.08 2.96 -0.36 -1.60 118.68 131.90 3gyi s LEU 37 Ca -0.01 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 3gyi s LEU 37 Cb -0.05 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 3gyi s LEU 37 CO -0.00 0.05 0.19 -0.04 -1.32 0.00 0.00 176.35 175.23 3gyi s MET 38 N 1.05 4.08 -0.27 1.98 -1.94 0.41 -0.94 119.30 123.67 3gyi s MET 38 Ca 0.02 -0.09 -0.05 0.00 -1.71 0.00 0.00 55.69 53.86 3gyi s MET 38 Cb -0.14 -3.38 0.01 0.00 2.01 0.00 0.00 34.83 33.33 3gyi s MET 38 CO 0.01 0.38 0.02 -0.51 -0.01 0.00 0.00 175.02 174.91 3gyi s LEU 39 N 0.11 3.50 -0.12 -0.03 1.43 -0.23 -0.89 118.68 122.45 3gyi s LEU 39 Ca 0.12 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3gyi s LEU 39 Cb -0.12 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 3gyi s LEU 39 CO 0.01 -0.14 -0.21 -0.70 0.23 0.00 0.00 176.35 175.54 3gyi s GLU 40 N 1.44 3.13 0.32 1.70 2.56 -0.12 -0.40 118.70 127.33 3gyi s GLU 40 Ca 0.02 -0.83 0.16 0.00 0.00 0.00 0.00 54.97 54.33 3gyi s GLU 40 Cb -0.17 -2.41 0.43 0.00 2.00 0.00 0.00 34.13 33.98 3gyi s GLU 40 CO -0.00 0.14 1.62 0.00 -0.56 0.00 0.00 175.26 176.46 3gyi h MET 41 N 6.85 0.00 0.00 4.30 -0.00 -1.74 0.59 114.93 124.93 3gyi h MET 41 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 3gyi h MET 41 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 3gyi h MET 41 CO 0.51 0.49 0.00 0.41 -0.00 0.00 0.00 176.91 178.31 3gyi n GLY 42 N 0.55 0.40 3.90 -3.00 0.00 -1.26 -3.55 105.19 102.22 3gyi n GLY 42 Ca 0.00 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 3gyi n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gyi s GLN 43 N -2.08 3.61 -0.38 1.61 -0.21 -1.26 -1.43 119.66 119.52 3gyi s GLN 43 Ca 0.00 0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.33 3gyi s GLN 43 Cb 0.00 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.62 3gyi s GLN 43 CO 0.00 -0.11 1.08 -1.17 -2.12 0.00 0.00 175.29 172.97 3gyi s LEU 44 N -4.39 3.84 -1.07 2.90 2.96 -1.26 -0.72 118.68 120.95 3gyi s LEU 44 Ca 0.48 0.81 -0.18 0.00 -0.22 0.00 0.00 54.13 55.02 3gyi s LEU 44 Cb -0.10 -3.51 0.12 0.00 0.50 0.00 0.00 46.19 43.20 3gyi s LEU 44 CO 0.40 -1.00 1.33 0.26 -1.32 0.00 0.00 176.35 176.02 3gyi s TRP 45 N 3.90 3.12 0.00 5.38 0.52 -1.26 -4.59 118.94 126.00 3gyi s TRP 45 Ca 0.45 -1.57 0.00 0.00 0.02 0.00 0.00 56.10 55.01 3gyi s TRP 45 Cb -0.10 -4.40 0.00 0.00 -1.15 0.00 0.00 33.47 27.81 3gyi s TRP 45 CO 0.21 -1.56 0.50 0.27 0.02 0.00 0.00 176.95 176.39 3gyi n ASN 46 N 6.81 0.00 -4.54 2.95 6.94 -1.26 -5.05 115.26 121.11 3gyi n ASN 46 Ca 0.32 -1.16 -0.31 0.00 -0.02 0.00 0.00 54.58 53.40 3gyi n ASN 46 Cb 0.47 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.75 3gyi n ASN 46 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3gyi s GLN 47 N 0.00 2.32 0.36 -3.83 -1.52 -1.26 -5.04 119.66 110.69 3gyi s GLN 47 Ca 0.00 -0.86 -0.28 0.00 -1.95 0.00 0.00 55.36 52.28 3gyi s GLN 47 Cb 0.00 -2.36 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 3gyi s GLN 47 CO 0.00 0.57 1.27 -1.25 -0.25 0.00 0.00 175.29 175.62 3gyi s PRO 48 N -1.52 4.23 0.00 2.91 0.04 -1.26 -4.29 135.00 135.10 3gyi s PRO 48 Ca 0.17 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3gyi s PRO 48 Cb -0.11 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.49 3gyi s PRO 48 CO 0.07 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.27 3gyi n GLY 49 N 0.77 0.02 0.33 0.56 0.00 0.75 -4.89 105.19 102.73 3gyi n GLY 49 Ca 0.01 -1.83 0.18 0.00 0.00 0.00 0.00 46.02 44.39 3gyi n GLY 49 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gyi h PRO 50 N 0.00 0.00 -0.46 1.61 0.11 -1.97 -1.69 132.00 129.60 3gyi h PRO 50 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gyi h PRO 50 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gyi h PRO 50 CO 0.00 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.39 3gyi n ASP 51 N -3.46 3.42 0.00 -2.05 5.68 -1.26 -4.96 116.55 113.92 3gyi n ASP 51 Ca -0.02 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3gyi n ASP 51 Cb 0.16 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 3gyi n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gyi n GLY 52 N 1.30 1.47 3.74 6.12 0.00 -0.64 -5.03 105.19 112.16 3gyi n GLY 52 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3gyi n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gyi s ASN 53 N -3.24 5.20 0.05 1.61 0.01 -1.26 -4.70 114.94 112.62 3gyi s ASN 53 Ca 0.00 -0.26 -0.21 0.00 -0.71 0.00 0.00 52.86 51.69 3gyi s ASN 53 Cb 0.00 -1.26 -0.13 0.00 0.41 0.00 0.00 41.25 40.28 3gyi s ASN 53 CO 0.00 0.07 1.46 0.40 -1.51 0.00 0.00 177.10 177.52 3gyi h ILE 54 N 2.16 1.27 -3.24 0.60 2.04 -1.93 0.21 117.51 118.63 3gyi h ILE 54 Ca -0.47 -0.92 -0.64 0.00 1.00 0.00 0.00 64.86 63.83 3gyi h ILE 54 Cb 1.21 1.58 -0.14 0.00 -0.74 0.00 0.00 36.82 38.72 3gyi h ILE 54 CO 0.61 0.27 -0.72 -0.36 0.00 0.00 0.00 178.15 177.95 3gyi s PHE 55 N -4.85 2.71 0.70 1.37 0.08 -1.26 -4.51 117.98 112.21 3gyi s PHE 55 Ca -0.14 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.58 3gyi s PHE 55 Cb 0.06 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 3gyi s PHE 55 CO 0.72 0.47 1.14 0.00 -0.10 0.00 0.00 175.22 177.45 3gyi s GLY 57 N -2.49 1.90 0.36 0.00 0.00 -1.26 -4.56 107.32 101.27 3gyi s GLY 57 Ca 0.69 -1.66 0.16 0.00 0.00 0.00 0.00 44.72 43.90 3gyi s GLY 57 CO 0.44 -1.42 1.77 -0.33 0.00 0.00 0.00 173.10 173.56 3gyi h MET 58 N 0.45 0.00 0.00 2.90 2.86 -1.45 -2.74 114.93 116.96 3gyi h MET 58 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3gyi h MET 58 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 3gyi h MET 58 CO 0.46 0.40 -0.07 -0.07 1.06 0.00 0.00 176.91 178.69 3gyi h LEU 59 N 0.00 0.00 -5.12 1.22 3.38 -1.91 -3.37 115.31 109.51 3gyi h LEU 59 Ca -0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.45 3gyi h LEU 59 Cb 0.82 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.16 3gyi h LEU 59 CO 0.05 0.01 -0.96 -0.46 0.09 0.00 0.00 178.44 177.17 3gyi n ASN 60 N -2.46 2.82 -4.76 -0.43 6.94 -1.05 -4.86 115.26 111.47 3gyi n ASN 60 Ca 0.05 -3.24 -0.38 0.00 -0.02 0.00 0.00 54.58 50.98 3gyi n ASN 60 Cb 0.46 -0.53 0.01 0.00 -2.36 0.00 0.00 39.78 37.35 3gyi n ASN 60 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3gyi s PRO 61 N -3.17 3.66 0.00 -0.53 0.04 -1.14 -4.34 135.00 129.52 3gyi s PRO 61 Ca 0.40 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.52 3gyi s PRO 61 Cb 0.39 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3gyi s PRO 61 CO -0.08 -0.72 0.00 -0.40 0.04 0.00 0.00 177.00 175.83 3gyi n ASP 62 N -0.40 0.00 -0.07 6.66 5.68 -1.26 -4.79 116.55 122.38 3gyi n ASP 62 Ca 0.07 -0.46 0.18 0.00 -0.50 0.00 0.00 54.79 54.08 3gyi n ASP 62 Cb 0.45 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.04 3gyi n ASP 62 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gyi h LYS 63 N 0.00 0.17 0.00 0.11 2.10 -1.93 -0.58 116.57 116.44 3gyi h LYS 63 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3gyi h LYS 63 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 3gyi h LYS 63 CO 0.00 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 3gyi h ARG 64 N 0.18 0.00 0.00 0.07 3.08 -1.94 -2.59 114.38 113.17 3gyi h ARG 64 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3gyi h ARG 64 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3gyi h ARG 64 CO -0.05 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.51 3gyi h SER 65 N 0.00 0.00 -3.70 7.04 4.64 -1.45 -1.34 113.55 118.74 3gyi h SER 65 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3gyi h SER 65 Cb 0.11 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.91 3gyi h SER 65 CO 0.00 0.00 -0.73 -0.55 -0.87 0.00 0.00 176.83 174.68 3gyi s SER 66 N -5.74 0.08 -0.62 4.97 0.15 -0.98 -3.23 113.70 108.34 3gyi s SER 66 Ca 0.04 -0.00 -0.25 0.00 0.70 0.00 0.00 55.95 56.44 3gyi s SER 66 Cb 0.08 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.40 3gyi s SER 66 CO 0.59 -0.02 1.06 0.86 1.20 0.00 0.00 173.24 176.92 3gyi s TRP 67 N 0.21 2.63 -1.21 3.44 -0.11 -0.21 -1.95 118.94 121.73 3gyi s TRP 67 Ca -0.02 -0.07 -0.12 0.00 1.22 0.00 0.00 56.10 57.12 3gyi s TRP 67 Cb -0.03 -4.31 -0.01 0.00 -1.50 0.00 0.00 33.47 27.62 3gyi s TRP 67 CO -0.01 -1.61 0.71 1.19 -4.62 0.00 0.00 176.95 172.62 3gyi n PHE 68 N 8.07 -1.90 -4.47 5.86 3.01 0.23 -4.86 117.46 123.40 3gyi n PHE 68 Ca 0.02 0.61 -0.23 0.00 1.01 0.00 0.00 57.45 58.86 3gyi n PHE 68 Cb 0.48 -3.73 -0.10 0.00 -0.01 0.00 0.00 39.48 36.11 3gyi n PHE 68 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3gyi s LYS 69 N -5.97 1.66 0.00 -1.08 -0.14 -1.26 -4.87 119.74 108.07 3gyi s LYS 69 Ca 0.29 -1.82 0.17 0.00 -1.36 0.00 0.00 55.97 53.26 3gyi s LYS 69 Cb -0.10 -1.51 0.33 0.00 -1.68 0.00 0.00 37.83 34.87 3gyi s LYS 69 CO 0.85 0.17 1.25 0.27 -0.76 0.00 0.00 175.35 177.12 3gyi n ASN 70 N -0.65 3.01 -3.72 2.83 0.23 -1.26 -3.55 115.26 112.15 3gyi n ASN 70 Ca -0.05 -1.88 -0.13 0.00 -0.53 0.00 0.00 54.58 51.98 3gyi n ASN 70 Cb 0.62 -0.20 -0.10 0.00 -2.08 0.00 0.00 39.78 38.03 3gyi n ASN 70 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3gyi s ARG 71 N -1.22 0.54 0.80 -3.83 3.52 -1.26 -1.38 118.95 116.12 3gyi s ARG 71 Ca 0.29 0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 56.43 3gyi s ARG 71 Cb 0.17 0.26 0.08 0.00 -1.56 0.00 0.00 34.95 33.90 3gyi s ARG 71 CO 0.24 -0.07 1.11 0.95 -0.81 0.00 0.00 175.30 176.72 3gyi s THR 72 N 0.26 3.00 -0.05 4.11 -4.23 -0.44 -4.91 115.64 113.39 3gyi s THR 72 Ca -0.00 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3gyi s THR 72 Cb -0.03 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3gyi s THR 72 CO 0.00 -0.42 -0.07 -0.70 -0.54 0.00 0.00 174.62 172.90 3gyi s GLU 73 N -4.80 1.02 0.48 3.99 2.12 -1.26 -4.65 118.70 115.60 3gyi s GLU 73 Ca 0.63 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 55.53 3gyi s GLU 73 Cb -0.19 -0.95 -0.07 0.00 0.26 0.00 0.00 34.13 33.18 3gyi s GLU 73 CO 0.56 -0.04 1.38 0.00 -0.54 0.00 0.00 175.26 176.62 3gyi s ALA 74 N 0.77 3.07 0.34 6.30 0.00 -1.26 -4.93 121.76 126.05 3gyi s ALA 74 Ca -0.12 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 3gyi s ALA 74 Cb -0.14 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 3gyi s ALA 74 CO 0.01 -1.21 1.24 -2.30 0.00 0.00 0.00 175.76 173.50 3gyi n PRO 75 N -0.49 1.98 -1.67 0.00 -0.02 -1.26 -4.78 135.00 128.76 3gyi n PRO 75 Ca 0.07 0.69 -0.46 0.00 -2.02 0.00 0.00 63.50 61.79 3gyi n PRO 75 Cb 0.43 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3gyi n PRO 75 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gyi n LEU 76 N 0.82 3.15 0.00 2.45 7.94 -1.26 -1.18 117.00 128.92 3gyi n LEU 76 Ca 0.06 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 3gyi n LEU 76 Cb 0.36 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 42.87 3gyi n LEU 76 CO 0.62 -0.26 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 3gyi n GLY 77 N 3.46 2.94 0.01 -3.96 0.00 -1.26 -4.93 105.19 101.45 3gyi n GLY 77 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3gyi n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gyi n SER 78 N 0.00 2.03 -0.33 1.61 7.64 -0.33 -4.69 113.62 119.55 3gyi n SER 78 Ca 0.00 -2.16 0.22 0.00 1.01 0.00 0.00 58.87 57.94 3gyi n SER 78 Cb 0.00 -0.07 0.45 0.00 -1.01 0.00 0.00 64.21 63.58 3gyi n SER 78 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3gyi h PHE 79 N 0.00 0.83 0.00 1.43 3.57 -1.77 0.17 116.94 121.17 3gyi h PHE 79 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3gyi h PHE 79 Cb 0.59 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3gyi h PHE 79 CO 0.00 -0.19 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.76 3gyi h LEU 80 N 0.30 0.00 0.00 0.59 3.38 -1.84 -1.74 115.31 116.00 3gyi h LEU 80 Ca 0.71 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.57 3gyi h LEU 80 Cb 1.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 3gyi h LEU 80 CO -0.62 0.06 -1.58 0.79 0.09 0.00 0.00 178.44 177.17 3gyi n TRP 81 N -3.87 0.00 0.45 1.13 8.01 -0.29 -4.75 117.44 118.13 3gyi n TRP 81 Ca -0.03 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.21 3gyi n TRP 81 Cb 0.15 -0.38 -0.00 0.00 -2.01 0.00 0.00 31.31 29.07 3gyi n TRP 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 3gyi n LEU 82 N -2.17 1.21 0.17 -0.99 4.77 0.43 -4.31 117.00 116.11 3gyi n LEU 82 Ca -0.10 -0.76 0.09 0.00 -0.03 0.00 0.00 56.01 55.21 3gyi n LEU 82 Cb 0.61 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.30 3gyi n LEU 82 CO 0.21 0.24 1.11 -0.78 -1.33 0.00 0.00 177.39 176.84 3gyi h ASP 83 N 1.12 0.09 0.12 -1.43 3.58 -1.49 -2.26 116.42 116.14 3gyi h ASP 83 Ca 0.00 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3gyi h ASP 83 Cb 0.35 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 3gyi h ASP 83 CO 0.00 0.06 -0.03 1.62 -2.88 0.00 0.00 179.24 178.01 3gyi h VAL 84 N 0.11 0.47 -0.02 2.25 3.04 -1.83 -1.13 116.25 119.14 3gyi h VAL 84 Ca 0.07 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3gyi h VAL 84 Cb 0.15 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 3gyi h VAL 84 CO -0.01 0.03 -0.13 1.33 -1.01 0.00 0.00 177.57 177.78 3gyi n VAL 85 N -3.70 0.00 -2.28 1.51 0.24 -0.85 -4.95 118.33 108.30 3gyi n VAL 85 Ca -0.03 -0.27 -0.35 0.00 -2.04 0.00 0.00 64.34 61.65 3gyi n VAL 85 Cb 0.13 0.77 -0.00 0.00 -1.47 0.00 0.00 33.84 33.27 3gyi n VAL 85 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3gyi s ASN 86 N -2.20 5.88 0.09 -1.34 0.01 -0.43 -4.64 114.94 112.31 3gyi s ASN 86 Ca 0.30 2.19 -0.10 0.00 -0.71 0.00 0.00 52.86 54.54 3gyi s ASN 86 Cb 0.20 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3gyi s ASN 86 CO 0.41 -1.11 0.22 0.00 -1.51 0.00 0.00 177.10 175.11 3gyi s ARG 87 N -3.13 0.86 0.38 -0.60 1.70 -1.26 -4.99 118.95 111.90 3gyi s ARG 87 Ca 0.70 -0.90 -0.26 0.00 -0.47 0.00 0.00 55.73 54.80 3gyi s ARG 87 Cb -0.24 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.40 3gyi s ARG 87 CO 0.28 -0.28 1.17 -0.80 -1.08 0.00 0.00 175.30 174.59 3gyi s ASN 88 N -2.79 6.64 0.04 -2.89 0.01 -1.26 -1.32 114.94 113.36 3gyi s ASN 88 Ca 0.04 2.35 -0.01 0.00 -0.71 0.00 0.00 52.86 54.53 3gyi s ASN 88 Cb 0.04 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 3gyi s ASN 88 CO -0.11 -0.59 -0.02 0.27 -1.51 0.00 0.00 177.10 175.14 3gyi s ILE 89 N -1.37 0.18 0.28 0.60 -4.36 -0.48 -4.90 121.20 111.15 3gyi s ILE 89 Ca 0.55 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 59.16 3gyi s ILE 89 Cb -0.31 -1.07 -0.11 0.00 1.25 0.00 0.00 42.46 42.22 3gyi s ILE 89 CO 0.39 -0.81 1.58 -1.81 0.24 0.00 0.00 174.94 174.53 3gyi s ASP 90 N -2.40 6.42 0.16 4.36 1.01 -1.26 -4.36 116.67 120.59 3gyi s ASP 90 Ca -0.01 2.90 -0.31 0.00 0.71 0.00 0.00 52.55 55.83 3gyi s ASP 90 Cb 0.02 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.21 3gyi s ASP 90 CO -0.07 -0.88 1.71 -2.84 0.21 0.00 0.00 175.17 173.30 3gyi s PRO 91 N -0.40 4.15 0.10 8.23 0.02 -1.23 -4.73 135.00 141.14 3gyi s PRO 91 Ca 0.63 2.52 -0.13 0.00 0.02 0.00 0.00 61.00 64.05 3gyi s PRO 91 Cb -0.47 -3.30 0.02 0.00 0.02 0.00 0.00 34.50 30.77 3gyi s PRO 91 CO 0.46 -0.75 0.30 -0.47 -0.33 0.00 0.00 177.00 176.22 3gyi s TYR 92 N 1.78 -0.05 -1.06 6.54 5.04 -1.26 -4.72 117.35 123.62 3gyi s TYR 92 Ca 0.75 -0.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.02 3gyi s TYR 92 Cb -0.46 0.11 -0.12 0.00 0.35 0.00 0.00 41.96 41.83 3gyi s TYR 92 CO 0.33 -0.61 2.91 0.00 -1.34 0.00 0.00 175.55 176.84 3gyi n ALA 93 N -0.04 6.59 -1.37 3.97 0.00 -0.42 -0.60 120.51 128.65 3gyi n ALA 93 Ca -0.16 -2.74 -0.20 0.00 0.00 0.00 0.00 53.44 50.34 3gyi n ALA 93 Cb 0.63 -3.02 0.22 0.00 0.00 0.00 0.00 19.45 17.28 3gyi n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyi n GLY 94 N 3.33 -2.29 0.09 0.00 0.00 -0.82 -4.64 105.19 100.86 3gyi n GLY 94 Ca 0.62 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 3gyi n GLY 94 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gyi n VAL 95 N -4.40 1.38 -4.44 1.61 3.14 -0.51 -3.97 118.33 111.15 3gyi n VAL 95 Ca 0.15 -0.74 -0.33 0.00 -2.96 0.00 0.00 64.34 60.45 3gyi n VAL 95 Cb 0.56 -0.86 -0.15 0.00 -1.06 0.00 0.00 33.84 32.33 3gyi n VAL 95 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3gyi s LEU 96 N -5.90 2.57 -0.27 6.55 2.96 -1.20 -0.85 118.68 122.54 3gyi s LEU 96 Ca -0.04 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3gyi s LEU 96 Cb 0.08 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 45.21 3gyi s LEU 96 CO 0.82 0.08 -0.02 -0.62 -1.32 0.00 0.00 176.35 175.29 3gyi s ASP 97 N 0.87 4.63 -0.37 3.68 2.15 0.23 -1.05 116.67 126.81 3gyi s ASP 97 Ca -0.04 -0.99 -0.25 0.00 0.43 0.00 0.00 52.55 51.70 3gyi s ASP 97 Cb -0.15 -1.71 0.01 0.00 -0.30 0.00 0.00 42.92 40.77 3gyi s ASP 97 CO -0.01 -0.18 0.88 -0.60 -0.17 0.00 0.00 175.17 175.09 3gyi s ARG 98 N 1.32 3.80 -0.36 4.34 3.52 -1.26 -1.13 118.95 129.18 3gyi s ARG 98 Ca -0.01 0.47 -0.15 0.00 -0.13 0.00 0.00 55.73 55.91 3gyi s ARG 98 Cb -0.18 -3.81 -0.01 0.00 -1.56 0.00 0.00 34.95 29.40 3gyi s ARG 98 CO -0.02 -0.93 0.33 0.08 -0.81 0.00 0.00 175.30 173.95 3gyi s VAL 99 N 3.36 5.20 -0.34 7.11 1.01 0.50 -4.94 120.40 132.30 3gyi s VAL 99 Ca 0.36 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 3gyi s VAL 99 Cb -0.12 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3gyi s VAL 99 CO 0.18 -0.14 0.39 0.20 0.00 0.00 0.00 175.10 175.73 3gyi s ASN 100 N 1.73 6.21 0.54 3.32 0.01 -1.26 -0.84 114.94 124.65 3gyi s ASN 100 Ca 0.09 -0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.18 3gyi s ASN 100 Cb -0.17 -2.21 0.07 0.00 0.41 0.00 0.00 41.25 39.35 3gyi s ASN 100 CO 0.11 -0.35 0.73 -0.31 -1.51 0.00 0.00 177.10 175.78 3gyi s TYR 101 N 2.08 1.71 0.19 2.20 1.51 0.41 -5.02 117.35 120.44 3gyi s TYR 101 Ca 0.13 -0.66 -0.11 0.00 -1.01 0.00 0.00 57.07 55.42 3gyi s TYR 101 Cb -0.16 -2.23 0.20 0.00 -0.11 0.00 0.00 41.96 39.65 3gyi s TYR 101 CO 0.12 -0.98 1.77 0.22 -1.11 0.00 0.00 175.55 175.57 3gyi h ASP 102 N 0.30 0.31 0.00 2.29 3.58 -1.89 -3.24 116.42 117.77 3gyi h ASP 102 Ca -0.32 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.10 3gyi h ASP 102 Cb 1.29 -0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.17 3gyi h ASP 102 CO 0.42 0.21 -0.69 0.00 -2.88 0.00 0.00 179.24 176.30 3gyi n GLN 103 N -4.93 0.71 -3.65 0.28 6.02 -1.26 -5.03 117.38 109.53 3gyi n GLN 103 Ca 0.06 -2.45 -0.11 0.00 -0.01 0.00 0.00 57.00 54.49 3gyi n GLN 103 Cb 0.19 -0.79 -0.08 0.00 1.02 0.00 0.00 30.24 30.59 3gyi n GLN 103 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3gyi s MET 104 N -1.48 0.72 -0.20 -1.09 0.00 -1.23 -4.36 119.30 111.67 3gyi s MET 104 Ca 0.32 1.01 -0.02 0.00 0.00 0.00 0.00 55.69 57.01 3gyi s MET 104 Cb 0.33 0.27 0.01 0.00 0.00 0.00 0.00 34.83 35.44 3gyi s MET 104 CO -0.10 -0.12 -0.11 -1.12 0.00 0.00 0.00 175.02 173.57 3gyi s SER 105 N 0.86 3.79 -0.20 1.11 0.01 -0.24 -0.45 113.70 118.59 3gyi s SER 105 Ca -0.04 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 3gyi s SER 105 Cb -0.05 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 3gyi s SER 105 CO -0.07 -0.02 0.05 -0.69 0.41 0.00 0.00 173.24 172.92 3gyi s VAL 106 N 1.39 4.50 -0.13 3.43 1.01 -0.02 -1.17 120.40 129.41 3gyi s VAL 106 Ca 0.05 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 3gyi s VAL 106 Cb -0.14 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3gyi s VAL 106 CO -0.08 0.43 0.43 -0.31 0.00 0.00 0.00 175.10 175.57 3gyi s TYR 107 N 0.72 3.50 0.03 5.22 1.51 -0.43 -0.37 117.35 127.52 3gyi s TYR 107 Ca 0.02 0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 56.88 3gyi s TYR 107 Cb -0.14 -2.50 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3gyi s TYR 107 CO 0.02 0.19 0.01 0.14 -1.11 0.00 0.00 175.55 174.80 3gyi s VAL 108 N 0.58 0.13 0.41 0.71 -7.23 -0.28 -4.66 120.40 110.05 3gyi s VAL 108 Ca 0.24 -1.07 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 3gyi s VAL 108 Cb -0.15 -0.60 -0.10 0.00 0.56 0.00 0.00 36.38 36.09 3gyi s VAL 108 CO 0.09 -0.59 0.89 -0.83 -0.31 0.00 0.00 175.10 174.35 3gyi s GLY 109 N -1.81 2.35 -0.22 2.32 0.00 -1.26 -0.60 107.32 108.10 3gyi s GLY 109 Ca -0.10 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.90 3gyi s GLY 109 CO -0.03 0.55 -0.01 0.50 0.00 0.00 0.00 173.10 174.11 3gyi s ARG 110 N -3.18 1.14 0.00 2.90 1.81 -0.03 -4.41 118.95 117.16 3gyi s ARG 110 Ca 0.60 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 3gyi s ARG 110 Cb -0.09 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 3gyi s ARG 110 CO 0.15 -0.63 0.00 0.41 -0.68 0.00 0.00 175.30 174.55 3gyi n GLY 111 N 4.85 0.72 3.60 -3.53 0.00 -1.26 -4.37 105.19 105.21 3gyi n GLY 111 Ca -0.10 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3gyi n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyi s VAL 112 N -1.83 3.67 0.00 1.61 1.01 0.10 -0.94 120.40 124.02 3gyi s VAL 112 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3gyi s VAL 112 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3gyi s VAL 112 CO 0.00 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.18 3gyi n GLY 113 N 5.19 1.18 7.00 4.51 0.00 -0.88 -4.57 105.19 117.62 3gyi n GLY 113 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3gyi n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyi n GLY 114 N -0.61 2.73 0.24 -0.02 0.00 -0.11 -1.61 105.19 105.81 3gyi n GLY 114 Ca 0.00 -0.28 0.17 0.00 0.00 0.00 0.00 46.02 45.90 3gyi n GLY 114 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gyi h GLY 115 N 0.00 0.00 1.59 -0.02 0.00 -1.91 -1.24 103.07 101.49 3gyi h GLY 115 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3gyi h GLY 115 CO 0.00 0.00 0.15 0.23 0.00 0.00 0.00 176.54 176.92 3gyi h SER 116 N 0.00 0.00 -0.71 0.19 0.87 -1.69 -0.59 113.55 111.62 3gyi h SER 116 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3gyi h SER 116 Cb 0.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3gyi h SER 116 CO 0.00 0.00 0.31 -0.07 -0.53 0.00 0.00 176.83 176.54 3gyi h LEU 117 N 0.00 0.96 -0.19 2.23 3.38 -1.32 -3.35 115.31 117.01 3gyi h LEU 117 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gyi h LEU 117 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gyi h LEU 117 CO -0.00 0.85 -0.38 1.33 0.09 0.00 0.00 178.44 180.32 3gyi n VAL 118 N -4.39 0.00 -2.02 1.22 0.24 -0.73 -3.76 118.33 108.89 3gyi n VAL 118 Ca 0.06 -0.31 -0.28 0.00 -2.04 0.00 0.00 64.34 61.77 3gyi n VAL 118 Cb 0.16 1.03 0.09 0.00 -1.47 0.00 0.00 33.84 33.64 3gyi n VAL 118 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gyi s ASN 119 N -1.75 4.56 0.00 -1.34 2.20 -0.31 -4.07 114.94 114.23 3gyi s ASN 119 Ca 0.05 0.63 0.25 0.00 -0.94 0.00 0.00 52.86 52.84 3gyi s ASN 119 Cb 0.07 -1.16 1.39 0.00 -2.00 0.00 0.00 41.25 39.56 3gyi s ASN 119 CO 0.35 -1.83 1.91 0.61 -2.94 0.00 0.00 177.10 175.20 3gyi n GLY 120 N -3.18 -0.84 3.06 0.45 0.00 -1.26 -4.86 105.19 98.56 3gyi n GLY 120 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3gyi n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyi n GLY 121 N 0.92 1.30 3.66 -0.02 0.00 -1.26 -4.55 105.19 105.25 3gyi n GLY 121 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gyi n GLY 121 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gyi s MET 122 N -0.04 4.17 -0.34 1.61 -1.94 -1.26 -1.48 119.30 120.01 3gyi s MET 122 Ca 0.00 2.18 0.03 0.00 -1.71 0.00 0.00 55.69 56.19 3gyi s MET 122 Cb 0.00 -3.99 0.10 0.00 2.01 0.00 0.00 34.83 32.95 3gyi s MET 122 CO 0.00 -0.86 0.05 0.00 -0.01 0.00 0.00 175.02 174.20 3gyi s ALA 123 N 4.08 2.89 -0.07 3.03 0.00 -0.08 -4.73 121.76 126.89 3gyi s ALA 123 Ca 0.74 -2.47 -0.04 0.00 0.00 0.00 0.00 51.96 50.19 3gyi s ALA 123 Cb -0.33 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 20.85 3gyi s ALA 123 CO 0.30 -1.65 0.16 0.54 0.00 0.00 0.00 175.76 175.10 3gyi s VAL 124 N 0.94 -0.04 0.18 0.00 0.11 -1.26 -4.14 120.40 116.19 3gyi s VAL 124 Ca 0.09 0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 3gyi s VAL 124 Cb -0.19 -0.25 -0.08 0.00 -1.53 0.00 0.00 36.38 34.33 3gyi s VAL 124 CO -0.07 0.05 1.11 -1.61 -3.33 0.00 0.00 175.10 171.25 3gyi s GLU 125 N 0.92 4.58 0.83 1.54 2.02 -1.26 -4.60 118.70 122.73 3gyi s GLU 125 Ca -0.07 1.73 -0.11 0.00 0.02 0.00 0.00 54.97 56.55 3gyi s GLU 125 Cb -0.09 -3.27 0.09 0.00 0.10 0.00 0.00 34.13 30.95 3gyi s GLU 125 CO -0.05 0.06 1.10 -1.25 0.02 0.00 0.00 175.26 175.14 3gyi s PRO 126 N -0.34 1.81 0.18 0.39 0.04 -1.26 -4.95 135.00 130.87 3gyi s PRO 126 Ca 0.50 1.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 3gyi s PRO 126 Cb -0.30 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3gyi s PRO 126 CO 0.35 -1.95 1.57 0.21 0.04 0.00 0.00 177.00 177.22 3gyi s LYS 127 N -4.87 4.21 0.19 4.56 2.20 -1.26 -4.88 119.74 119.90 3gyi s LYS 127 Ca 0.63 2.38 -0.11 0.00 -0.36 0.00 0.00 55.97 58.50 3gyi s LYS 127 Cb -0.18 -3.14 0.17 0.00 -1.51 0.00 0.00 37.83 33.17 3gyi s LYS 127 CO 0.57 -0.60 1.81 -0.09 -0.36 0.00 0.00 175.35 176.68 3gyi h ARG 128 N 6.60 0.62 0.00 4.03 2.43 -1.99 0.43 114.38 126.50 3gyi h ARG 128 Ca -0.43 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3gyi h ARG 128 Cb 1.21 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3gyi h ARG 128 CO 0.90 0.41 -0.15 0.66 -1.51 0.00 0.00 179.97 180.29 3gyi h SER 129 N 0.64 0.00 -0.02 -3.80 4.64 -2.00 -0.54 113.55 112.47 3gyi h SER 129 Ca 0.25 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 3gyi h SER 129 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3gyi h SER 129 CO -0.14 0.15 -0.67 0.22 -0.87 0.00 0.00 176.83 175.52 3gyi h TYR 130 N 0.00 0.72 -0.66 4.77 3.20 -1.40 -2.63 116.97 120.97 3gyi h TYR 130 Ca -0.00 -0.37 0.12 0.00 3.14 0.00 0.00 58.73 61.61 3gyi h TYR 130 Cb 0.27 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 3gyi h TYR 130 CO 0.00 1.19 0.22 0.35 -1.64 0.00 0.00 178.16 178.28 3gyi h PHE 131 N 0.05 0.37 -0.11 -3.82 3.57 -0.48 -0.67 116.94 115.85 3gyi h PHE 131 Ca -0.08 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 3gyi h PHE 131 Cb 1.35 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 3gyi h PHE 131 CO 0.13 0.04 -0.36 0.93 -2.23 0.00 0.00 178.31 176.82 3gyi h GLU 132 N 0.37 0.24 -0.43 1.11 5.08 -1.10 -1.04 114.58 118.81 3gyi h GLU 132 Ca 0.35 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3gyi h GLU 132 Cb 0.51 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3gyi h GLU 132 CO -0.38 0.57 0.10 1.49 -1.00 0.00 0.00 179.01 179.79 3gyi h GLU 133 N 0.20 0.69 0.00 2.33 4.81 -0.88 -2.89 114.58 118.85 3gyi h GLU 133 Ca 0.02 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 3gyi h GLU 133 Cb 0.74 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3gyi h GLU 133 CO 0.06 0.70 -0.69 -0.84 -0.73 0.00 0.00 179.01 177.51 3gyi h ILE 134 N 0.56 1.22 -2.08 2.32 3.07 -0.90 -3.38 117.51 118.32 3gyi h ILE 134 Ca 0.13 -2.65 -0.55 0.00 1.55 0.00 0.00 64.86 63.34 3gyi h ILE 134 Cb 0.33 2.55 -0.40 0.00 -0.27 0.00 0.00 36.82 39.03 3gyi h ILE 134 CO 0.00 0.68 -0.96 0.18 -1.05 0.00 0.00 178.15 177.00 3gyi n LEU 135 N -3.31 1.71 0.19 0.16 4.77 -0.42 -4.85 117.00 115.24 3gyi n LEU 135 Ca 0.01 -5.08 0.14 0.00 -0.03 0.00 0.00 56.01 51.05 3gyi n LEU 135 Cb 0.80 0.23 0.63 0.00 -2.33 0.00 0.00 43.42 42.75 3gyi n LEU 135 CO 0.43 2.17 0.90 1.55 -1.33 0.00 0.00 177.39 181.12 3gyi h PRO 136 N 3.60 0.00 -0.00 3.23 0.13 -1.70 -2.26 132.00 134.99 3gyi h PRO 136 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gyi h PRO 136 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3gyi h PRO 136 CO 0.60 0.00 -0.25 0.54 -0.23 0.00 0.00 178.00 178.66 3gyi n ARG 137 N -2.46 0.07 -3.40 0.86 1.74 -1.26 -4.88 116.66 107.33 3gyi n ARG 137 Ca 0.00 -0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.67 3gyi n ARG 137 Cb 0.16 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3gyi n ARG 137 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gyi s VAL 138 N -2.95 5.03 -0.45 1.55 1.01 -0.85 -5.03 120.40 118.71 3gyi s VAL 138 Ca 0.14 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 3gyi s VAL 138 Cb 0.18 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3gyi s VAL 138 CO 0.61 0.49 1.40 -0.62 0.00 0.00 0.00 175.10 176.97 3gyi s ASP 139 N -0.50 6.31 0.38 3.32 2.15 -1.26 -4.87 116.67 122.20 3gyi s ASP 139 Ca 0.25 0.70 0.19 0.00 0.43 0.00 0.00 52.55 54.12 3gyi s ASP 139 Cb -0.17 -2.54 0.72 0.00 -0.30 0.00 0.00 42.92 40.63 3gyi s ASP 139 CO 0.13 -1.48 1.76 0.77 -0.17 0.00 0.00 175.17 176.18 3gyi h SER 140 N 10.71 0.00 -0.32 -0.34 4.64 -1.96 -3.13 113.55 123.15 3gyi h SER 140 Ca -0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3gyi h SER 140 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3gyi h SER 140 CO 1.11 0.36 0.09 0.28 -0.87 0.00 0.00 176.83 177.80 3gyi h SER 141 N 0.00 0.48 0.17 4.97 0.02 -1.99 -1.48 113.55 115.71 3gyi h SER 141 Ca -0.00 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 3gyi h SER 141 Cb 0.85 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3gyi h SER 141 CO 0.05 0.57 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.70 3gyi h GLU 142 N 0.36 0.18 0.29 3.45 4.39 -1.97 0.11 114.58 121.40 3gyi h GLU 142 Ca 0.10 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3gyi h GLU 142 Cb 0.27 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3gyi h GLU 142 CO -0.00 0.45 -0.21 0.52 -1.16 0.00 0.00 179.01 178.60 3gyi h MET 143 N 0.16 -0.48 0.00 2.33 2.86 -1.42 0.02 114.93 118.40 3gyi h MET 143 Ca 0.03 0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.51 3gyi h MET 143 Cb 0.57 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3gyi h MET 143 CO 0.04 -0.32 -0.85 1.88 1.06 0.00 0.00 176.91 178.72 3gyi h TYR 144 N -0.50 0.22 0.05 -0.22 -1.99 -1.05 0.16 116.97 113.63 3gyi h TYR 144 Ca -0.02 -0.12 -0.27 0.00 2.00 0.00 0.00 58.73 60.32 3gyi h TYR 144 Cb 0.44 -0.02 0.02 0.00 2.00 0.00 0.00 36.73 39.16 3gyi h TYR 144 CO -0.12 0.92 -1.12 -0.44 -0.00 0.00 0.00 178.16 177.40 3gyi h ASP 145 N 0.08 0.82 0.00 3.88 3.45 -0.78 -3.41 116.42 120.47 3gyi h ASP 145 Ca -0.03 -0.71 0.00 0.00 0.43 0.00 0.00 57.03 56.72 3gyi h ASP 145 Cb 1.47 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3gyi h ASP 145 CO 0.13 1.51 -0.27 -1.14 -1.57 0.00 0.00 179.24 177.90 3gyi n ARG 146 N -3.80 0.00 0.11 3.56 0.63 -0.06 -4.76 116.66 112.33 3gyi n ARG 146 Ca -0.11 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.59 3gyi n ARG 146 Cb 0.92 -0.44 -0.14 0.00 0.45 0.00 0.00 32.46 33.25 3gyi n ARG 146 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3gyi h TYR 147 N 0.00 0.96 -0.17 -0.14 0.05 -1.12 -2.14 116.97 114.42 3gyi h TYR 147 Ca 0.00 -0.65 -0.00 0.00 0.05 0.00 0.00 58.73 58.13 3gyi h TYR 147 Cb 0.27 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 3gyi h TYR 147 CO 0.00 1.49 0.10 0.74 -1.05 0.00 0.00 178.16 179.45 3gyi h PHE 148 N 0.16 0.23 -1.00 4.88 0.04 -0.95 -1.13 116.94 119.17 3gyi h PHE 148 Ca -0.21 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.58 3gyi h PHE 148 Cb 1.99 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 40.01 3gyi h PHE 148 CO 0.13 0.20 0.66 -1.35 -0.60 0.00 0.00 178.31 177.34 3gyi h PRO 149 N 0.19 1.26 -0.62 1.51 0.11 -1.79 -0.88 132.00 131.78 3gyi h PRO 149 Ca 0.06 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3gyi h PRO 149 Cb 0.04 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 30.83 3gyi h PRO 149 CO -0.01 0.83 0.40 -0.09 -0.21 0.00 0.00 178.00 178.93 3gyi h ARG 150 N 1.30 0.83 -0.16 1.05 2.43 -1.14 -1.98 114.38 116.70 3gyi h ARG 150 Ca 0.39 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3gyi h ARG 150 Cb -0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3gyi h ARG 150 CO -0.11 0.56 0.07 0.00 -1.51 0.00 0.00 179.97 178.97 3gyi h ALA 151 N 1.22 0.21 -0.62 2.80 0.00 -0.89 -0.85 119.26 121.13 3gyi h ALA 151 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gyi h ALA 151 Cb -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gyi h ALA 151 CO -0.05 -0.21 0.24 -0.91 0.00 0.00 0.00 179.25 178.33 3gyi h ASN 152 N 0.11 0.83 -0.05 0.00 2.35 -0.91 -0.49 115.58 117.41 3gyi h ASN 152 Ca 0.05 -0.11 -0.20 0.00 -0.55 0.00 0.00 56.30 55.49 3gyi h ASN 152 Cb 0.16 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3gyi h ASN 152 CO -0.00 0.74 -0.72 0.28 -1.65 0.00 0.00 177.43 176.08 3gyi h SER 153 N 0.89 0.81 1.16 5.81 0.02 -1.31 -2.58 113.55 118.34 3gyi h SER 153 Ca 0.21 -0.51 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 3gyi h SER 153 Cb 0.18 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3gyi h SER 153 CO -0.02 1.29 -0.40 -0.03 -1.14 0.00 0.00 176.83 176.53 3gyi h MET 154 N 0.48 0.00 0.00 3.45 1.85 -0.73 -2.95 114.93 117.03 3gyi h MET 154 Ca -0.04 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 3gyi h MET 154 Cb 1.33 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.36 3gyi h MET 154 CO 0.14 0.40 0.00 1.28 -0.40 0.00 0.00 176.91 178.33 3gyi n LEU 155 N -3.36 0.36 -3.41 3.39 4.77 -0.23 -4.54 117.00 113.97 3gyi n LEU 155 Ca 0.01 0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 56.36 3gyi n LEU 155 Cb 0.59 -0.49 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 3gyi n LEU 155 CO 0.38 -0.27 0.16 0.54 -1.33 0.00 0.00 177.39 176.86 3gyi n ARG 156 N -1.87 -6.95 -1.89 3.23 5.12 -1.11 -4.84 116.66 108.35 3gyi n ARG 156 Ca 0.04 0.81 -0.41 0.00 -1.93 0.00 0.00 57.85 56.37 3gyi n ARG 156 Cb 0.27 -5.77 -0.01 0.00 -1.16 0.00 0.00 32.46 25.79 3gyi n ARG 156 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3gyi s VAL 157 N -3.33 2.27 0.26 1.55 1.01 -0.99 -4.59 120.40 116.58 3gyi s VAL 157 Ca 0.23 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3gyi s VAL 157 Cb -0.10 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3gyi s VAL 157 CO 0.71 0.05 0.26 0.54 0.00 0.00 0.00 175.10 176.66 3gyi s ASN 158 N -0.02 0.60 -0.02 3.32 6.03 0.25 -4.95 114.94 120.14 3gyi s ASN 158 Ca 0.55 -1.43 0.06 0.00 -1.03 0.00 0.00 52.86 51.00 3gyi s ASN 158 Cb -0.45 0.49 -0.01 0.00 -3.03 0.00 0.00 41.25 38.25 3gyi s ASN 158 CO 0.56 -1.00 -0.19 -1.00 -2.03 0.00 0.00 177.10 173.44 3gyi s HIS 159 N -3.81 1.69 0.42 1.54 3.76 -1.26 -1.62 115.29 116.01 3gyi s HIS 159 Ca 0.36 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.68 3gyi s HIS 159 Cb 0.04 -1.09 -0.08 0.00 1.11 0.00 0.00 32.58 32.55 3gyi s HIS 159 CO 0.17 -0.05 1.26 -1.50 -0.85 0.00 0.00 174.74 173.77 3gyi s ILE 160 N -0.39 2.74 -0.05 0.60 2.07 -1.26 -4.87 121.20 120.05 3gyi s ILE 160 Ca 0.06 0.63 -0.30 0.00 -1.41 0.00 0.00 60.65 59.63 3gyi s ILE 160 Cb -0.08 -3.36 -0.05 0.00 0.13 0.00 0.00 42.46 39.11 3gyi s ILE 160 CO -0.00 0.07 1.50 -0.62 -1.91 0.00 0.00 174.94 173.98 3gyi s ASP 161 N -0.91 6.77 0.22 4.50 2.15 -1.26 -4.91 116.67 123.23 3gyi s ASP 161 Ca 0.59 2.12 0.02 0.00 0.43 0.00 0.00 52.55 55.71 3gyi s ASP 161 Cb -0.36 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 39.93 3gyi s ASP 161 CO 0.45 -0.83 1.55 0.71 -0.17 0.00 0.00 175.17 176.88 3gyi h THR 162 N 5.29 1.37 -0.62 1.71 1.35 -1.99 -1.31 112.91 118.71 3gyi h THR 162 Ca -0.37 -1.93 -0.06 0.00 -0.55 0.00 0.00 66.41 63.51 3gyi h THR 162 Cb 1.17 1.94 -0.03 0.00 -1.73 0.00 0.00 68.15 69.50 3gyi h THR 162 CO 0.94 0.58 0.15 0.50 -0.25 0.00 0.00 175.52 177.44 3gyi h LYS 163 N 0.24 0.99 -0.46 4.72 3.64 -2.00 -0.89 116.57 122.81 3gyi h LYS 163 Ca -0.00 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3gyi h LYS 163 Cb 1.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 3gyi h LYS 163 CO 0.10 0.90 0.24 2.35 -2.27 0.00 0.00 179.45 180.76 3gyi h TRP 164 N 0.90 0.64 -0.51 1.91 7.01 -1.91 -2.36 115.95 121.63 3gyi h TRP 164 Ca 0.19 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.26 3gyi h TRP 164 Cb 0.35 -0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.14 3gyi h TRP 164 CO 0.03 0.50 0.12 0.35 -2.79 0.00 0.00 178.44 176.64 3gyi h PHE 165 N 0.60 0.20 -0.02 2.65 3.04 -1.01 -0.37 116.94 122.04 3gyi h PHE 165 Ca 0.16 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.07 3gyi h PHE 165 Cb 0.08 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3gyi h PHE 165 CO -0.02 0.01 -0.33 0.93 -2.02 0.00 0.00 178.31 176.89 3gyi h GLU 166 N 0.27 0.03 0.02 1.11 4.39 -0.80 -3.27 114.58 116.33 3gyi h GLU 166 Ca 0.26 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.63 3gyi h GLU 166 Cb 0.34 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 3gyi h GLU 166 CO -0.32 0.36 -1.87 -0.25 -1.16 0.00 0.00 179.01 175.77 3gyi n ASP 167 N -4.14 0.98 -4.75 1.42 8.00 -0.83 -4.99 116.55 112.24 3gyi n ASP 167 Ca -0.02 0.31 -0.40 0.00 0.71 0.00 0.00 54.79 55.39 3gyi n ASP 167 Cb 0.38 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 3gyi n ASP 167 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3gyi s THR 168 N -2.57 4.09 0.39 -3.53 -1.32 -0.21 -4.92 115.64 107.57 3gyi s THR 168 Ca -0.09 2.06 0.20 0.00 -1.21 0.00 0.00 61.69 62.65 3gyi s THR 168 Cb 0.08 -4.32 0.40 0.00 -1.51 0.00 0.00 72.50 67.15 3gyi s THR 168 CO 0.81 0.50 1.72 1.05 -2.21 0.00 0.00 174.62 176.49 3gyi h GLU 169 N 4.17 0.32 0.00 7.08 4.11 -1.92 -2.77 114.58 125.57 3gyi h GLU 169 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3gyi h GLU 169 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3gyi h GLU 169 CO 0.68 0.21 0.00 0.91 0.07 0.00 0.00 179.01 180.88 3gyi n TRP 170 N -4.71 0.31 -0.60 2.06 7.02 -1.26 -2.05 117.44 118.21 3gyi n TRP 170 Ca 0.29 0.11 0.05 0.00 -1.02 0.00 0.00 57.50 56.93 3gyi n TRP 170 Cb 1.00 -0.68 0.07 0.00 -2.42 0.00 0.00 31.31 29.28 3gyi n TRP 170 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3gyi n TYR 171 N -1.77 0.00 -0.31 -5.99 4.02 -1.05 -1.11 117.16 110.95 3gyi n TYR 171 Ca 0.04 -0.72 0.11 0.00 -0.01 0.00 0.00 57.90 57.32 3gyi n TYR 171 Cb 0.23 -0.10 0.33 0.00 -0.02 0.00 0.00 39.34 39.78 3gyi n TYR 171 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3gyi h LYS 172 N 0.00 0.76 -0.66 -0.72 3.64 -1.46 -1.20 116.57 116.93 3gyi h LYS 172 Ca 0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3gyi h LYS 172 Cb 0.78 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3gyi h LYS 172 CO 0.00 0.50 0.44 0.27 -2.27 0.00 0.00 179.45 178.39 3gyi h PHE 173 N 0.79 0.77 -0.15 1.91 -5.15 -1.73 -0.28 116.94 113.09 3gyi h PHE 173 Ca 0.49 0.02 -0.13 0.00 -0.20 0.00 0.00 57.97 58.15 3gyi h PHE 173 Cb 0.70 -0.26 0.00 0.00 0.22 0.00 0.00 35.95 36.62 3gyi h PHE 173 CO -0.00 0.45 -0.40 0.00 -2.00 0.00 0.00 178.31 176.36 3gyi h ALA 174 N 1.61 0.25 -0.41 12.09 0.00 -1.56 -2.96 119.26 128.29 3gyi h ALA 174 Ca 0.26 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3gyi h ALA 174 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gyi h ALA 174 CO -0.07 0.35 0.03 0.00 0.00 0.00 0.00 179.25 179.56 3gyi h ARG 175 N 0.17 0.63 -0.22 0.00 3.08 -0.79 -0.90 114.38 116.36 3gyi h ARG 175 Ca -0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3gyi h ARG 175 Cb 1.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3gyi h ARG 175 CO 0.09 0.63 0.10 0.28 -1.07 0.00 0.00 179.97 179.99 3gyi h VAL 176 N 0.60 1.15 -0.31 2.04 2.07 -1.07 -1.05 116.25 119.69 3gyi h VAL 176 Ca 0.13 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3gyi h VAL 176 Cb 0.33 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3gyi h VAL 176 CO 0.01 0.15 -0.12 0.28 0.02 0.00 0.00 177.57 177.91 3gyi h SER 177 N 0.21 0.52 -0.56 0.57 0.02 -1.33 -1.42 113.55 111.56 3gyi h SER 177 Ca 0.07 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3gyi h SER 177 Cb 0.15 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3gyi h SER 177 CO -0.01 0.67 0.36 -0.09 -1.14 0.00 0.00 176.83 176.62 3gyi h ARG 178 N 0.50 0.70 -0.30 3.45 2.43 -0.86 0.87 114.38 121.17 3gyi h ARG 178 Ca 0.09 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3gyi h ARG 178 Cb 0.50 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3gyi h ARG 178 CO 0.03 0.46 -0.21 1.49 -1.51 0.00 0.00 179.97 180.23 3gyi h GLU 179 N 0.72 0.56 -0.08 0.20 4.81 -0.75 -0.82 114.58 119.22 3gyi h GLU 179 Ca 0.21 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3gyi h GLU 179 Cb -0.04 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3gyi h GLU 179 CO -0.07 0.74 -0.33 1.96 -0.73 0.00 0.00 179.01 180.58 3gyi h GLN 180 N 0.50 0.36 -0.91 1.92 1.08 -1.06 -3.19 115.11 113.81 3gyi h GLN 180 Ca 0.08 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3gyi h GLN 180 Cb 0.64 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.08 3gyi h GLN 180 CO 0.05 0.92 0.57 0.00 -0.95 0.00 0.00 178.83 179.41 3gyi h ALA 181 N 0.44 1.16 -0.09 3.87 0.00 -0.72 -2.59 119.26 121.32 3gyi h ALA 181 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gyi h ALA 181 Cb 0.97 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gyi h ALA 181 CO 0.07 0.59 -0.05 0.78 0.00 0.00 0.00 179.25 180.64 3gyi h GLY 182 N 1.24 0.14 2.00 0.00 0.00 -0.77 -0.81 103.07 104.87 3gyi h GLY 182 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3gyi h GLY 182 CO -0.07 0.07 -0.02 0.50 0.00 0.00 0.00 176.54 177.02 3gyi h LYS 183 N 0.13 0.00 -0.36 4.80 1.57 -1.44 -1.20 116.57 120.07 3gyi h LYS 183 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gyi h LYS 183 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3gyi h LYS 183 CO 0.01 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 3gyi n ALA 184 N -2.11 2.45 -0.96 3.86 0.00 -0.38 -4.88 120.51 118.50 3gyi n ALA 184 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3gyi n ALA 184 Cb 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3gyi n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyi n GLY 185 N 1.28 0.44 3.29 0.00 0.00 -0.45 -4.96 105.19 104.79 3gyi n GLY 185 Ca 0.17 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3gyi n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gyi s LEU 186 N 0.00 2.76 0.62 0.99 1.43 -0.77 -5.00 118.68 118.71 3gyi s LEU 186 Ca 0.00 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3gyi s LEU 186 Cb 0.00 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.56 3gyi s LEU 186 CO 0.00 0.01 0.93 -0.83 0.23 0.00 0.00 176.35 176.69 3gyi s GLY 187 N 1.30 1.63 0.36 -3.19 0.00 -1.26 -2.39 107.32 103.76 3gyi s GLY 187 Ca 0.04 -0.75 0.09 0.00 0.00 0.00 0.00 44.72 44.09 3gyi s GLY 187 CO -0.04 -0.43 0.04 -0.51 0.00 0.00 0.00 173.10 172.16 3gyi s THR 188 N -3.06 2.53 -0.01 0.90 -4.23 -1.26 -3.49 115.64 107.01 3gyi s THR 188 Ca 0.56 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3gyi s THR 188 Cb -0.11 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3gyi s THR 188 CO 0.45 -0.15 -0.03 0.54 -0.54 0.00 0.00 174.62 174.89 3gyi s VAL 189 N -2.55 0.28 0.26 2.29 0.11 -0.13 -4.90 120.40 115.76 3gyi s VAL 189 Ca 0.36 -0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.99 3gyi s VAL 189 Cb 0.01 -0.26 -0.10 0.00 -1.53 0.00 0.00 36.38 34.50 3gyi s VAL 189 CO 0.20 0.09 1.43 -0.36 -3.33 0.00 0.00 175.10 173.13 3gyi s PHE 190 N 0.10 3.00 -0.19 1.54 0.40 -1.26 -1.43 117.98 120.15 3gyi s PHE 190 Ca -0.01 1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 57.37 3gyi s PHE 190 Cb -0.04 -3.82 -0.00 0.00 0.51 0.00 0.00 43.02 39.67 3gyi s PHE 190 CO -0.00 -2.62 -0.10 0.08 0.70 0.00 0.00 175.22 173.27 3gyi s VAL 191 N -0.14 2.99 0.98 -0.44 1.01 -0.46 -4.90 120.40 119.44 3gyi s VAL 191 Ca 0.58 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 3gyi s VAL 191 Cb -0.42 -2.31 0.15 0.00 0.00 0.00 0.00 36.38 33.80 3gyi s VAL 191 CO 0.45 0.47 0.95 -2.65 0.00 0.00 0.00 175.10 174.32 3gyi n PRO 192 N 4.44 -0.82 -3.80 2.72 -0.02 -1.26 -4.81 135.00 131.45 3gyi n PRO 192 Ca -0.19 -0.19 -0.09 0.00 -2.02 0.00 0.00 63.50 61.01 3gyi n PRO 192 Cb 0.51 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3gyi n PRO 192 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3gyi s ASN 193 N -2.46 0.02 0.00 2.55 3.84 -0.64 -0.90 114.94 117.35 3gyi s ASN 193 Ca 0.65 -0.58 0.25 0.00 0.21 0.00 0.00 52.86 53.39 3gyi s ASN 193 Cb -0.23 0.38 0.52 0.00 -0.55 0.00 0.00 41.25 41.38 3gyi s ASN 193 CO 0.61 -0.77 1.42 1.33 -2.79 0.00 0.00 177.10 176.90 3gyi n VAL 194 N -0.12 0.00 -2.40 -5.21 0.24 -0.55 -0.59 118.33 109.71 3gyi n VAL 194 Ca -0.15 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 3gyi n VAL 194 Cb 0.63 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 3gyi n VAL 194 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3gyi s TYR 195 N -2.52 3.39 -0.17 6.34 6.14 -1.26 -1.90 117.35 127.37 3gyi s TYR 195 Ca 0.22 1.25 -0.29 0.00 0.64 0.00 0.00 57.07 58.89 3gyi s TYR 195 Cb 0.19 -3.45 -0.03 0.00 0.42 0.00 0.00 41.96 39.09 3gyi s TYR 195 CO 0.55 -1.40 1.52 0.34 0.64 0.00 0.00 175.55 177.19 3gyi s ASP 196 N 1.12 6.62 0.36 4.32 -1.08 -0.31 -4.83 116.67 122.87 3gyi s ASP 196 Ca 0.59 1.78 0.19 0.00 -0.52 0.00 0.00 52.55 54.59 3gyi s ASP 196 Cb -0.30 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.03 3gyi s ASP 196 CO 0.29 -1.03 1.60 -0.26 0.52 0.00 0.00 175.17 176.29 3gyi h PHE 197 N 9.68 0.00 -0.42 -5.34 0.04 -1.90 -1.86 116.94 117.14 3gyi h PHE 197 Ca -0.33 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.41 3gyi h PHE 197 Cb 1.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 3gyi h PHE 197 CO 0.88 0.32 0.14 0.78 -0.60 0.00 0.00 178.31 179.82 3gyi h GLY 198 N 3.11 0.69 0.62 -1.45 0.00 -1.91 -0.42 103.07 103.70 3gyi h GLY 198 Ca -0.00 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 46.98 3gyi h GLY 198 CO 0.04 0.38 0.18 -1.82 0.00 0.00 0.00 176.54 175.32 3gyi h TYR 199 N 0.53 0.32 -0.80 5.60 3.20 -1.93 -1.61 116.97 122.28 3gyi h TYR 199 Ca 0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3gyi h TYR 199 Cb 0.25 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3gyi h TYR 199 CO 0.01 0.12 0.50 1.98 -1.64 0.00 0.00 178.16 179.13 3gyi h MET 200 N 0.36 1.08 0.00 1.82 4.05 -1.03 0.36 114.93 121.57 3gyi h MET 200 Ca 0.21 -0.09 -0.07 0.00 -0.28 0.00 0.00 59.70 59.47 3gyi h MET 200 Cb 0.19 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3gyi h MET 200 CO -0.20 0.75 -0.34 0.37 0.23 0.00 0.00 176.91 177.72 3gyi h GLN 201 N 1.10 0.00 -0.29 0.39 4.15 -0.68 -2.20 115.11 117.57 3gyi h GLN 201 Ca 0.29 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.54 3gyi h GLN 201 Cb -0.07 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 3gyi h GLN 201 CO -0.06 0.34 -0.50 0.00 -1.93 0.00 0.00 178.83 176.68 3gyi h ARG 202 N 0.00 0.83 -0.60 1.69 3.08 -0.23 -3.02 114.38 116.13 3gyi h ARG 202 Ca -0.00 -0.50 0.11 0.00 0.07 0.00 0.00 59.98 59.66 3gyi h ARG 202 Cb 0.66 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 3gyi h ARG 202 CO 0.04 1.13 0.13 0.93 -1.07 0.00 0.00 179.97 181.14 3gyi h GLU 203 N 0.65 0.26 -0.10 0.04 5.08 -0.40 -1.72 114.58 118.38 3gyi h GLU 203 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3gyi h GLU 203 Cb 1.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3gyi h GLU 203 CO 0.11 0.17 -0.23 0.00 -1.00 0.00 0.00 179.01 178.06 3gyi h ALA 204 N 1.47 1.43 -0.00 3.43 0.00 -1.34 -1.46 119.26 122.79 3gyi h ALA 204 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gyi h ALA 204 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gyi h ALA 204 CO -0.40 0.40 -0.00 0.00 0.00 0.00 0.00 179.25 179.26 3gyi n ALA 205 N -2.48 2.66 -1.63 0.00 0.00 -0.70 -4.91 120.51 113.44 3gyi n ALA 205 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3gyi n ALA 205 Cb 0.33 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 3gyi n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyi n GLY 206 N 1.05 0.62 0.06 0.00 0.00 -0.55 -4.93 105.19 101.44 3gyi n GLY 206 Ca 0.22 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.70 3gyi n GLY 206 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gyi n GLU 207 N -2.37 0.65 -3.96 1.61 1.02 -0.92 -4.98 120.64 111.69 3gyi n GLU 207 Ca -0.09 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 56.95 3gyi n GLU 207 Cb 0.41 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 3gyi n GLU 207 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3gyi s VAL 208 N -3.17 0.17 0.28 2.62 -7.23 -1.26 -5.00 120.40 106.82 3gyi s VAL 208 Ca -0.06 -1.37 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 3gyi s VAL 208 Cb 0.10 -1.25 -0.12 0.00 0.56 0.00 0.00 36.38 35.67 3gyi s VAL 208 CO 0.85 -0.76 1.52 -2.65 -0.31 0.00 0.00 175.10 173.76 3gyi n PRO 209 N 0.27 2.48 -2.62 4.82 -0.02 -1.26 -4.52 135.00 134.15 3gyi n PRO 209 Ca -0.16 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 3gyi n PRO 209 Cb 0.61 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3gyi n PRO 209 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gyi s LYS 210 N -0.61 4.04 0.00 -0.52 1.02 -1.26 -4.88 119.74 117.53 3gyi s LYS 210 Ca 0.64 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.98 3gyi s LYS 210 Cb -0.54 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3gyi s LYS 210 CO 0.50 -0.22 0.00 0.45 -0.92 0.00 0.00 175.35 175.16 3gyi n SER 211 N -0.56 0.00 -0.11 2.83 2.88 -1.26 -4.66 113.62 112.74 3gyi n SER 211 Ca 0.07 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.76 3gyi n SER 211 Cb 0.52 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.51 3gyi n SER 211 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gyi h ALA 212 N 0.00 2.13 -0.48 -1.46 0.00 -1.83 -0.23 119.26 117.40 3gyi h ALA 212 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gyi h ALA 212 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gyi h ALA 212 CO 0.00 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.23 3gyi n LEU 213 N -4.46 3.73 -1.23 0.00 4.77 -1.26 -1.32 117.00 117.23 3gyi n LEU 213 Ca 0.12 -1.88 0.03 0.00 -0.03 0.00 0.00 56.01 54.25 3gyi n LEU 213 Cb 0.48 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3gyi n LEU 213 CO 0.34 0.62 0.19 0.00 -1.33 0.00 0.00 177.39 177.21 3gyi n ALA 214 N 0.76 3.09 -3.44 -1.18 0.00 -0.14 -4.99 120.51 114.62 3gyi n ALA 214 Ca 0.19 -2.87 -0.18 0.00 0.00 0.00 0.00 53.44 50.58 3gyi n ALA 214 Cb 0.71 -0.56 0.09 0.00 0.00 0.00 0.00 19.45 19.69 3gyi n ALA 214 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gyi n THR 215 N -0.33 -5.08 -5.23 0.00 -1.04 -1.16 -4.78 114.28 96.66 3gyi n THR 215 Ca 0.14 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.05 61.48 3gyi n THR 215 Cb 0.92 -4.67 -0.16 0.00 -1.82 0.00 0.00 70.33 64.59 3gyi n THR 215 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gyi s GLU 216 N -5.57 2.51 0.15 -2.82 2.02 -0.96 -1.17 118.70 112.86 3gyi s GLU 216 Ca 0.15 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3gyi s GLU 216 Cb -0.07 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3gyi s GLU 216 CO 0.71 0.36 0.00 1.55 0.02 0.00 0.00 175.26 177.90 3gyi n VAL 217 N 2.99 0.00 0.48 2.63 3.14 -1.23 -4.21 118.33 122.13 3gyi n VAL 217 Ca -0.18 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.33 3gyi n VAL 217 Cb 0.52 0.00 0.39 0.00 -1.06 0.00 0.00 33.84 33.69 3gyi n VAL 217 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 3gyi h ILE 218 N 0.00 0.00 -0.36 1.55 2.10 -1.89 -1.33 117.51 117.57 3gyi h ILE 218 Ca 0.00 -0.54 -0.05 0.00 1.08 0.00 0.00 64.86 65.35 3gyi h ILE 218 Cb 0.00 1.50 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 3gyi h ILE 218 CO 0.00 0.00 0.03 -1.22 -1.08 0.00 0.00 178.15 175.88 3gyi n TYR 219 N -2.48 1.27 0.00 2.19 4.01 -1.26 -4.71 117.16 116.17 3gyi n TYR 219 Ca 0.04 -1.01 0.00 0.00 -0.16 0.00 0.00 57.90 56.78 3gyi n TYR 219 Cb 0.41 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3gyi n TYR 219 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gyi n GLY 220 N -0.45 2.35 3.27 2.72 0.00 -0.50 -4.24 105.19 108.33 3gyi n GLY 220 Ca 0.26 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3gyi n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gyi s ASN 221 N 0.00 3.83 0.48 1.61 -0.87 -1.26 -3.48 114.94 115.25 3gyi s ASN 221 Ca 0.00 -0.46 0.31 0.00 -1.57 0.00 0.00 52.86 51.14 3gyi s ASN 221 Cb 0.00 -1.62 1.26 0.00 -0.02 0.00 0.00 41.25 40.87 3gyi s ASN 221 CO 0.00 0.04 1.91 0.78 -2.57 0.00 0.00 177.10 177.27 3gyi h ASN 222 N 7.64 0.00 -5.29 -1.22 2.35 -1.92 -3.45 115.58 113.70 3gyi h ASN 222 Ca -0.38 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.25 3gyi h ASN 222 Cb 1.17 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.41 3gyi h ASN 222 CO 0.60 0.00 -0.40 -1.00 -1.65 0.00 0.00 177.43 174.98 3gyi s HIS 223 N -3.57 0.48 0.00 1.19 3.76 -1.26 -5.00 115.29 110.88 3gyi s HIS 223 Ca 0.02 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 3gyi s HIS 223 Cb 0.09 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.63 3gyi s HIS 223 CO 0.51 -0.66 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 3gyi n GLY 224 N -0.18 1.01 3.64 -2.22 0.00 -1.26 -4.65 105.19 101.53 3gyi n GLY 224 Ca -0.08 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3gyi n GLY 224 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gyi s LYS 225 N 0.00 4.16 -1.45 1.61 2.20 -1.26 -1.16 119.74 123.83 3gyi s LYS 225 Ca 0.00 0.97 -0.13 0.00 -0.36 0.00 0.00 55.97 56.45 3gyi s LYS 225 Cb 0.00 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3gyi s LYS 225 CO 0.00 -0.58 2.47 1.04 -0.36 0.00 0.00 175.35 177.91 3gyi n GLN 226 N 6.14 3.04 -0.51 4.03 1.13 -0.80 -4.95 117.38 125.46 3gyi n GLN 226 Ca 0.07 -2.36 -0.28 0.00 -1.94 0.00 0.00 57.00 52.48 3gyi n GLN 226 Cb 0.47 -3.06 0.26 0.00 0.11 0.00 0.00 30.24 28.03 3gyi n GLN 226 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gyi s SER 227 N 2.96 0.55 0.44 1.08 1.04 -1.26 -4.76 113.70 113.74 3gyi s SER 227 Ca 0.55 1.40 0.21 0.00 0.48 0.00 0.00 55.95 58.60 3gyi s SER 227 Cb 0.15 -2.16 1.04 0.00 0.10 0.00 0.00 66.02 65.16 3gyi s SER 227 CO -0.06 -4.45 1.91 -0.07 0.98 0.00 0.00 173.24 171.55 3gyi h LEU 228 N -2.79 0.00 -1.93 2.42 3.38 -1.84 -1.23 115.31 113.31 3gyi h LEU 228 Ca -0.61 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.44 3gyi h LEU 228 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3gyi h LEU 228 CO 0.48 0.24 0.22 -2.24 0.09 0.00 0.00 178.44 177.24 3gyi h ASP 229 N 0.00 0.07 1.18 -0.43 2.03 -1.90 0.42 116.42 117.80 3gyi h ASP 229 Ca -0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.23 3gyi h ASP 229 Cb 0.57 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 3gyi h ASP 229 CO 0.03 0.05 -0.85 0.11 -1.03 0.00 0.00 179.24 177.55 3gyi h LYS 230 N 0.08 0.00 0.00 4.15 1.57 -1.55 -2.85 116.57 117.97 3gyi h LYS 230 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3gyi h LYS 230 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3gyi h LYS 230 CO -0.01 0.16 0.00 0.25 -0.57 0.00 0.00 179.45 179.28 3gyi n THR 231 N -2.90 0.00 -0.21 -0.16 -2.24 -0.93 -4.61 114.28 103.22 3gyi n THR 231 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 3gyi n THR 231 Cb 0.66 -0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.91 3gyi n THR 231 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3gyi h TYR 232 N 0.00 0.67 -0.25 4.78 -1.99 -1.77 -1.91 116.97 116.51 3gyi h TYR 232 Ca 0.00 0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.58 3gyi h TYR 232 Cb 0.00 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 3gyi h TYR 232 CO 0.00 0.37 -0.52 -0.07 -0.00 0.00 0.00 178.16 177.94 3gyi h LEU 233 N 0.71 0.80 -0.58 3.88 3.38 -1.16 0.59 115.31 122.92 3gyi h LEU 233 Ca 0.25 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3gyi h LEU 233 Cb 0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3gyi h LEU 233 CO -0.12 1.17 0.32 0.00 0.09 0.00 0.00 178.44 179.90 3gyi h ALA 234 N 0.85 0.76 -0.58 1.53 0.00 -1.30 -0.51 119.26 120.01 3gyi h ALA 234 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3gyi h ALA 234 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3gyi h ALA 234 CO 0.11 0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.42 3gyi h ALA 235 N 1.29 0.78 -0.22 0.00 0.00 -1.09 -1.00 119.26 119.03 3gyi h ALA 235 Ca 0.25 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gyi h ALA 235 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gyi h ALA 235 CO -0.15 0.56 0.11 0.00 0.00 0.00 0.00 179.25 179.77 3gyi h ALA 236 N 0.99 0.26 -0.79 0.00 0.00 -0.38 -1.56 119.26 117.77 3gyi h ALA 236 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3gyi h ALA 236 Cb 0.47 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3gyi h ALA 236 CO 0.02 -0.30 0.52 -0.07 0.00 0.00 0.00 179.25 179.42 3gyi h LEU 237 N 0.24 0.83 -1.88 0.00 3.38 -0.96 -2.11 115.31 114.80 3gyi h LEU 237 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gyi h LEU 237 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3gyi h LEU 237 CO -0.05 0.56 0.00 1.23 0.09 0.00 0.00 178.44 180.27 3gyi h GLY 238 N 0.96 0.00 2.00 0.83 0.00 -0.17 -2.40 103.07 104.29 3gyi h GLY 238 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 3gyi h GLY 238 CO -0.10 0.00 -0.04 -0.91 0.00 0.00 0.00 176.54 175.49 3gyi h THR 239 N 0.00 0.10 0.00 4.70 1.35 -0.97 -3.47 112.91 114.62 3gyi h THR 239 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3gyi h THR 239 Cb 0.17 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3gyi h THR 239 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 3gyi n GLY 240 N 0.26 0.98 0.16 5.82 0.00 -0.90 -4.88 105.19 106.62 3gyi n GLY 240 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3gyi n GLY 240 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gyi n LYS 241 N -2.00 1.91 -4.51 1.61 4.76 -1.26 -5.00 118.16 113.66 3gyi n LYS 241 Ca 0.00 -1.36 -0.22 0.00 -2.87 0.00 0.00 58.31 53.86 3gyi n LYS 241 Cb 0.00 -1.07 -0.16 0.00 -1.84 0.00 0.00 35.03 31.96 3gyi n LYS 241 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gyi s VAL 242 N -0.78 0.98 0.02 -0.18 1.01 -1.26 -0.80 120.40 119.39 3gyi s VAL 242 Ca 0.05 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3gyi s VAL 242 Cb 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3gyi s VAL 242 CO 0.04 0.30 -0.24 -0.89 0.00 0.00 0.00 175.10 174.32 3gyi s THR 243 N 0.30 1.90 -0.16 3.92 2.01 -0.63 -4.62 115.64 118.36 3gyi s THR 243 Ca -0.06 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 60.77 3gyi s THR 243 Cb -0.11 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.81 3gyi s THR 243 CO 0.01 0.39 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 3gyi s ILE 244 N -0.70 2.01 -0.15 1.82 1.01 -1.26 -0.44 121.20 123.49 3gyi s ILE 244 Ca 0.10 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 3gyi s ILE 244 Cb -0.09 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3gyi s ILE 244 CO 0.01 0.54 0.03 -1.10 0.00 0.00 0.00 174.94 174.41 3gyi s GLN 245 N 1.09 3.62 0.34 2.79 -0.21 -0.07 -4.98 119.66 122.25 3gyi s GLN 245 Ca -0.00 -0.39 0.08 0.00 0.02 0.00 0.00 55.36 55.07 3gyi s GLN 245 Cb -0.14 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 3gyi s GLN 245 CO -0.08 0.41 0.18 0.95 -2.12 0.00 0.00 175.29 174.63 3gyi s THR 246 N -0.04 3.21 -1.34 -0.19 -4.23 -1.26 -0.94 115.64 110.85 3gyi s THR 246 Ca 0.05 -1.60 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3gyi s THR 246 Cb -0.12 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.70 3gyi s THR 246 CO 0.02 -0.19 0.32 0.18 -0.54 0.00 0.00 174.62 174.40 3gyi n LEU 247 N -1.21 -1.76 -4.06 4.79 4.77 0.07 -4.90 117.00 114.70 3gyi n LEU 247 Ca -0.03 -0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 3gyi n LEU 247 Cb 0.61 -2.44 -0.15 0.00 -2.33 0.00 0.00 43.42 39.10 3gyi n LEU 247 CO 0.43 0.05 -0.46 -1.00 -1.33 0.00 0.00 177.39 175.08 3gyi s HIS 248 N -2.91 3.21 -0.23 -1.77 3.76 -0.46 -1.47 115.29 115.43 3gyi s HIS 248 Ca 0.21 -2.29 -0.07 0.00 -0.15 0.00 0.00 55.06 52.76 3gyi s HIS 248 Cb -0.10 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 3gyi s HIS 248 CO 0.26 -0.87 0.06 -1.14 -0.85 0.00 0.00 174.74 172.19 3gyi s GLN 249 N 1.12 3.70 0.07 1.40 0.74 -0.09 -2.19 119.66 124.41 3gyi s GLN 249 Ca -0.09 -0.46 -0.31 0.00 0.05 0.00 0.00 55.36 54.56 3gyi s GLN 249 Cb -0.20 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.59 3gyi s GLN 249 CO -0.05 -0.08 1.20 0.08 -0.55 0.00 0.00 175.29 175.89 3gyi s VAL 250 N 1.31 4.01 -0.19 1.34 1.01 -1.26 -1.00 120.40 125.61 3gyi s VAL 250 Ca 0.05 1.45 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 3gyi s VAL 250 Cb -0.15 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 3gyi s VAL 250 CO 0.03 0.12 -0.19 0.29 0.00 0.00 0.00 175.10 175.35 3gyi n LYS 251 N 3.88 0.44 -4.04 2.72 4.76 0.47 -4.97 118.16 121.42 3gyi n LYS 251 Ca 0.09 0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.55 3gyi n LYS 251 Cb 0.46 -1.32 -0.11 0.00 -1.84 0.00 0.00 35.03 32.23 3gyi n LYS 251 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3gyi s THR 252 N -2.36 0.32 -0.05 -0.18 -4.23 -1.21 -4.97 115.64 102.96 3gyi s THR 252 Ca -0.25 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3gyi s THR 252 Cb 0.07 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.24 3gyi s THR 252 CO 0.40 -0.57 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.17 3gyi s ILE 253 N -1.99 1.04 0.10 2.99 1.01 -1.26 -1.60 121.20 121.49 3gyi s ILE 253 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3gyi s ILE 253 Cb -0.06 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3gyi s ILE 253 CO -0.02 0.33 -0.01 0.00 0.00 0.00 0.00 174.94 175.23 3gyi s ARG 254 N 0.50 0.81 -0.10 2.79 1.70 -0.34 -4.40 118.95 119.90 3gyi s ARG 254 Ca -0.10 -1.35 -0.16 0.00 -0.47 0.00 0.00 55.73 53.66 3gyi s ARG 254 Cb -0.14 0.04 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 3gyi s ARG 254 CO 0.02 -0.12 0.39 -1.14 -1.08 0.00 0.00 175.30 173.37 3gyi s GLN 255 N -3.93 4.18 0.61 3.89 2.00 -1.25 -1.18 119.66 123.99 3gyi s GLN 255 Ca 0.15 0.31 -0.09 0.00 -2.00 0.00 0.00 55.36 53.72 3gyi s GLN 255 Cb 0.07 -3.37 -0.02 0.00 0.80 0.00 0.00 33.01 30.49 3gyi s GLN 255 CO -0.04 0.33 0.97 0.95 -0.50 0.00 0.00 175.29 177.01 3gyi s THR 256 N 0.10 4.24 0.58 -0.34 -4.23 0.13 -4.91 115.64 111.21 3gyi s THR 256 Ca 0.22 0.48 0.28 0.00 -1.18 0.00 0.00 61.69 61.49 3gyi s THR 256 Cb -0.15 -3.69 0.39 0.00 1.34 0.00 0.00 72.50 70.39 3gyi s THR 256 CO 0.09 -0.83 1.95 0.11 -0.54 0.00 0.00 174.62 175.40 3gyi h LYS 257 N -0.27 0.00 -0.51 3.99 1.57 -1.98 0.85 116.57 120.22 3gyi h LYS 257 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3gyi h LYS 257 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3gyi h LYS 257 CO 0.62 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 3gyi n ASP 258 N -3.88 3.58 0.00 0.86 5.75 -1.26 -5.02 116.55 116.58 3gyi n ASP 258 Ca 0.08 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 3gyi n ASP 258 Cb 0.61 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3gyi n ASP 258 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gyi n GLY 259 N 1.45 0.63 0.00 6.12 0.00 0.29 -5.08 105.19 108.61 3gyi n GLY 259 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3gyi n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyi n GLY 260 N -2.01 -0.06 3.20 -0.02 0.00 -1.26 -4.81 105.19 100.24 3gyi n GLY 260 Ca 0.00 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.00 3gyi n GLY 260 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gyi s TYR 261 N -0.00 1.53 -0.03 1.61 2.02 -0.53 0.17 117.35 122.12 3gyi s TYR 261 Ca 0.00 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 3gyi s TYR 261 Cb 0.00 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 3gyi s TYR 261 CO 0.00 0.08 -0.17 0.00 -1.57 0.00 0.00 175.55 173.88 3gyi s ALA 262 N -0.88 1.48 0.01 3.71 0.00 -0.32 -1.02 121.76 124.74 3gyi s ALA 262 Ca 0.04 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.36 3gyi s ALA 262 Cb -0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3gyi s ALA 262 CO 0.02 0.32 -0.24 -0.51 0.00 0.00 0.00 175.76 175.35 3gyi s LEU 263 N -0.23 2.24 -0.21 0.00 2.01 0.11 -1.20 118.68 121.40 3gyi s LEU 263 Ca 0.03 -0.48 -0.09 0.00 0.01 0.00 0.00 54.13 53.60 3gyi s LEU 263 Cb -0.09 -1.37 -0.04 0.00 0.01 0.00 0.00 46.19 44.70 3gyi s LEU 263 CO 0.00 0.29 0.10 -0.89 1.01 0.00 0.00 176.35 176.87 3gyi s THR 264 N -0.73 4.99 -0.10 5.49 2.01 -0.63 -1.90 115.64 124.77 3gyi s THR 264 Ca 0.11 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3gyi s THR 264 Cb -0.10 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.15 3gyi s THR 264 CO 0.01 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 3gyi s VAL 265 N 0.70 1.01 -0.16 3.82 1.01 0.36 -0.40 120.40 126.74 3gyi s VAL 265 Ca 0.05 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 3gyi s VAL 265 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3gyi s VAL 265 CO 0.02 0.36 0.42 -1.61 0.00 0.00 0.00 175.10 174.28 3gyi s GLU 266 N 1.49 4.27 -0.20 2.72 2.02 -0.17 -0.37 118.70 128.45 3gyi s GLU 266 Ca 0.01 0.30 -0.10 0.00 0.02 0.00 0.00 54.97 55.20 3gyi s GLU 266 Cb -0.13 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 3gyi s GLU 266 CO -0.06 0.10 0.13 -1.14 0.02 0.00 0.00 175.26 174.31 3gyi s GLN 267 N 0.86 4.16 0.30 1.61 0.74 0.17 -0.91 119.66 126.59 3gyi s GLN 267 Ca 0.22 -0.23 0.08 0.00 0.05 0.00 0.00 55.36 55.47 3gyi s GLN 267 Cb -0.15 -3.41 -0.06 0.00 1.10 0.00 0.00 33.01 30.49 3gyi s GLN 267 CO 0.08 0.28 -0.07 0.15 -0.55 0.00 0.00 175.29 175.18 3gyi s LYS 268 N 0.41 1.64 0.74 1.67 1.02 -0.54 -0.53 119.74 124.16 3gyi s LYS 268 Ca 0.08 -1.84 -0.00 0.00 0.02 0.00 0.00 55.97 54.22 3gyi s LYS 268 Cb -0.11 -1.34 0.14 0.00 -0.52 0.00 0.00 37.83 36.00 3gyi s LYS 268 CO -0.01 0.07 1.02 0.16 -0.92 0.00 0.00 175.35 175.67 3gyi s ASP 269 N -3.50 4.20 0.13 2.83 3.84 -0.56 -4.81 116.67 118.80 3gyi s ASP 269 Ca 0.31 -0.48 0.21 0.00 -0.00 0.00 0.00 52.55 52.58 3gyi s ASP 269 Cb 0.03 0.19 0.84 0.00 -1.38 0.00 0.00 42.92 42.60 3gyi s ASP 269 CO 0.13 -1.98 1.64 0.35 -0.00 0.00 0.00 175.17 175.32 3gyi n THR 270 N -2.89 0.80 1.56 2.11 -2.24 -1.26 -1.23 114.28 111.13 3gyi n THR 270 Ca 0.16 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.26 3gyi n THR 270 Cb 0.61 -0.98 0.63 0.00 -2.10 0.00 0.00 70.33 68.49 3gyi n THR 270 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gyi n ASP 271 N -1.87 0.79 0.00 3.42 8.00 -1.26 -1.30 116.55 124.33 3gyi n ASP 271 Ca 0.03 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3gyi n ASP 271 Cb 0.23 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3gyi n ASP 271 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gyi n GLY 272 N 1.19 0.67 3.73 0.44 0.00 -0.36 -4.84 105.19 106.00 3gyi n GLY 272 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3gyi n GLY 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyi s LYS 273 N -0.25 4.49 -0.22 1.61 3.01 -1.26 -4.78 119.74 122.33 3gyi s LYS 273 Ca 0.00 1.83 -0.29 0.00 -1.01 0.00 0.00 55.97 56.50 3gyi s LYS 273 Cb 0.00 -3.27 -0.02 0.00 -1.01 0.00 0.00 37.83 33.53 3gyi s LYS 273 CO 0.00 -0.12 1.43 -1.17 0.51 0.00 0.00 175.35 176.00 3gyi s LEU 274 N 0.12 3.98 -0.14 3.17 2.96 -1.26 -1.49 118.68 126.02 3gyi s LEU 274 Ca 0.54 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 56.03 3gyi s LEU 274 Cb -0.31 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.61 3gyi s LEU 274 CO 0.34 -1.06 0.30 0.18 -1.32 0.00 0.00 176.35 174.79 3gyi n LEU 275 N 7.64 1.75 -3.53 -0.68 4.77 0.31 -4.98 117.00 122.29 3gyi n LEU 275 Ca 0.16 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.20 3gyi n LEU 275 Cb 0.45 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3gyi n LEU 275 CO 0.62 0.67 0.67 0.00 -1.33 0.00 0.00 177.39 178.03 3gyi s ALA 276 N -2.55 -1.85 -0.16 -1.18 0.00 -1.14 -5.01 121.76 109.88 3gyi s ALA 276 Ca -0.17 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.05 3gyi s ALA 276 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3gyi s ALA 276 CO 0.76 -0.49 -0.17 0.99 0.00 0.00 0.00 175.76 176.85 3gyi s THR 277 N -2.06 2.46 0.24 0.00 2.01 -1.26 -0.66 115.64 116.38 3gyi s THR 277 Ca -0.00 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.26 3gyi s THR 277 Cb -0.01 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3gyi s THR 277 CO -0.02 0.52 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.86 3gyi s LYS 278 N 0.96 2.23 -0.23 4.92 1.02 0.50 -4.94 119.74 124.20 3gyi s LYS 278 Ca -0.03 -1.38 0.02 0.00 0.02 0.00 0.00 55.97 54.60 3gyi s LYS 278 Cb -0.15 -2.16 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 3gyi s LYS 278 CO -0.03 0.38 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.65 3gyi s GLU 279 N -3.46 2.35 -0.06 1.68 2.56 -1.26 -0.49 118.70 120.02 3gyi s GLU 279 Ca 0.30 -1.16 0.04 0.00 0.00 0.00 0.00 54.97 54.15 3gyi s GLU 279 Cb -0.07 -2.75 -0.00 0.00 2.00 0.00 0.00 34.13 33.31 3gyi s GLU 279 CO 0.19 -0.48 -0.19 0.42 -0.56 0.00 0.00 175.26 174.64 3gyi s ILE 280 N 1.19 1.59 0.26 -3.70 1.01 -0.80 -1.59 121.20 119.17 3gyi s ILE 280 Ca -0.05 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3gyi s ILE 280 Cb -0.18 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 3gyi s ILE 280 CO -0.07 0.45 -0.07 -0.94 0.00 0.00 0.00 174.94 174.31 3gyi s SER 281 N 0.17 2.64 0.25 3.58 1.04 -0.00 0.05 113.70 121.44 3gyi s SER 281 Ca -0.08 -1.16 -0.21 0.00 0.48 0.00 0.00 55.95 54.98 3gyi s SER 281 Cb -0.14 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.86 3gyi s SER 281 CO 0.04 -0.32 0.68 0.00 0.98 0.00 0.00 173.24 174.61 3gyi h ARG 283 N 2.02 0.09 -5.32 0.00 2.43 -1.27 -1.40 114.38 110.94 3gyi h ARG 283 Ca -0.22 -0.16 -0.66 0.00 -0.81 0.00 0.00 59.98 58.13 3gyi h ARG 283 Cb 1.26 0.06 -0.27 0.00 -0.42 0.00 0.00 29.97 30.60 3gyi h ARG 283 CO 0.27 1.08 -0.76 0.71 -1.51 0.00 0.00 179.97 179.75 3gyi s TYR 284 N -2.43 2.81 -0.15 2.20 2.02 -0.60 -4.62 117.35 116.59 3gyi s TYR 284 Ca -0.27 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 3gyi s TYR 284 Cb 0.06 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 3gyi s TYR 284 CO 0.65 -0.21 -0.18 -1.17 -1.57 0.00 0.00 175.55 173.07 3gyi s LEU 285 N 0.36 1.94 -0.17 -1.29 2.96 -0.51 -1.73 118.68 120.23 3gyi s LEU 285 Ca -0.11 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 3gyi s LEU 285 Cb -0.16 -1.33 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 3gyi s LEU 285 CO 0.06 0.01 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.61 3gyi s PHE 286 N 1.18 2.84 -0.27 5.38 0.08 -0.13 -0.94 117.98 126.12 3gyi s PHE 286 Ca 0.00 -1.01 -0.15 0.00 0.12 0.00 0.00 56.93 55.89 3gyi s PHE 286 Cb -0.14 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3gyi s PHE 286 CO -0.08 -0.49 0.40 -0.51 -0.10 0.00 0.00 175.22 174.44 3gyi s LEU 287 N 0.99 4.05 -0.21 -0.37 1.02 0.77 -0.78 118.68 124.15 3gyi s LEU 287 Ca -0.01 0.32 0.18 0.00 0.02 0.00 0.00 54.13 54.64 3gyi s LEU 287 Cb -0.15 -2.47 0.47 0.00 0.02 0.00 0.00 46.19 44.06 3gyi s LEU 287 CO -0.02 -0.21 1.16 0.61 0.02 0.00 0.00 176.35 177.91 3gyi n GLY 288 N 4.64 3.24 0.40 -3.19 0.00 0.13 -1.03 105.19 109.37 3gyi n GLY 288 Ca -0.08 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.56 3gyi n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyi n ALA 289 N -0.47 2.52 0.00 4.61 0.00 -1.01 -4.19 120.51 121.97 3gyi n ALA 289 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3gyi n ALA 289 Cb 0.90 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3gyi n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gyi n GLY 290 N 0.98 -0.45 0.29 0.00 0.00 -1.26 -2.56 105.19 102.19 3gyi n GLY 290 Ca 0.13 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.51 3gyi n GLY 290 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gyi h SER 291 N 0.00 -0.43 0.03 1.61 0.87 -1.83 0.68 113.55 114.48 3gyi h SER 291 Ca 0.00 0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3gyi h SER 291 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3gyi h SER 291 CO 0.00 -0.22 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.00 3gyi h LEU 292 N 0.07 -0.03 -0.20 2.23 4.07 -1.86 -3.17 115.31 116.43 3gyi h LEU 292 Ca 0.44 -0.63 -0.20 0.00 0.08 0.00 0.00 57.88 57.57 3gyi h LEU 292 Cb 0.78 0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.54 3gyi h LEU 292 CO -0.73 0.63 -0.65 1.23 -1.08 0.00 0.00 178.44 177.84 3gyi h GLY 293 N -0.73 0.87 0.85 0.83 0.00 -1.17 -0.02 103.07 103.70 3gyi h GLY 293 Ca -0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 47.33 46.14 3gyi h GLY 293 CO 0.01 1.02 -0.02 1.76 0.00 0.00 0.00 176.54 179.31 3gyi h SER 294 N 0.54 0.45 -0.61 0.19 0.02 -0.96 -2.21 113.55 110.98 3gyi h SER 294 Ca -0.02 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 3gyi h SER 294 Cb 1.27 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 3gyi h SER 294 CO 0.14 0.67 0.28 0.74 -1.14 0.00 0.00 176.83 177.52 3gyi h THR 295 N 0.23 1.22 -0.49 -2.27 2.02 -1.50 -2.12 112.91 110.00 3gyi h THR 295 Ca 0.07 -0.64 0.02 0.00 0.77 0.00 0.00 66.41 66.63 3gyi h THR 295 Cb 0.45 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3gyi h THR 295 CO 0.02 0.26 0.29 -0.08 0.37 0.00 0.00 175.52 176.37 3gyi h GLU 296 N 0.84 0.55 -0.66 6.66 4.81 -0.94 -0.48 114.58 125.37 3gyi h GLU 296 Ca 0.21 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3gyi h GLU 296 Cb 0.14 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3gyi h GLU 296 CO -0.02 0.37 0.39 -0.07 -0.73 0.00 0.00 179.01 178.94 3gyi h LEU 297 N 0.57 0.61 -0.03 1.64 3.38 -1.06 -1.41 115.31 119.00 3gyi h LEU 297 Ca 0.20 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.96 3gyi h LEU 297 Cb 0.03 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gyi h LEU 297 CO -0.10 0.41 -0.87 -0.07 0.09 0.00 0.00 178.44 177.90 3gyi h LEU 298 N 0.74 0.82 -0.81 1.67 3.38 -0.96 -0.84 115.31 119.32 3gyi h LEU 298 Ca 0.28 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 3gyi h LEU 298 Cb 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3gyi h LEU 298 CO -0.14 1.43 0.38 -0.37 0.09 0.00 0.00 178.44 179.82 3gyi h VAL 299 N 0.30 1.25 0.03 1.22 -1.51 -1.05 -0.67 116.25 115.82 3gyi h VAL 299 Ca -0.10 -0.73 0.01 0.00 -1.23 0.00 0.00 66.70 64.65 3gyi h VAL 299 Cb 1.53 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 3gyi h VAL 299 CO 0.17 0.31 -0.07 -0.09 -1.23 0.00 0.00 177.57 176.66 3gyi h ARG 300 N 1.15 -0.13 -0.88 5.19 2.43 -1.25 -0.73 114.38 120.16 3gyi h ARG 300 Ca 0.28 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3gyi h ARG 300 Cb 0.13 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3gyi h ARG 300 CO -0.03 -0.09 0.58 0.00 -1.51 0.00 0.00 179.97 178.92 3gyi h ALA 301 N 0.82 1.12 0.64 2.80 0.00 -0.81 -0.18 119.26 123.66 3gyi h ALA 301 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3gyi h ALA 301 Cb 0.16 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gyi h ALA 301 CO -0.05 0.50 -0.31 -0.09 0.00 0.00 0.00 179.25 179.30 3gyi h ARG 302 N 1.18 -0.83 0.00 0.00 2.43 -0.97 -0.72 114.38 115.47 3gyi h ARG 302 Ca 0.33 0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 3gyi h ARG 302 Cb -0.12 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3gyi h ARG 302 CO -0.08 -0.52 -0.29 -0.44 -1.51 0.00 0.00 179.97 177.13 3gyi h ASP 303 N -0.97 0.00 -0.06 -3.80 3.32 -0.95 -2.62 116.42 111.33 3gyi h ASP 303 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gyi h ASP 303 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3gyi h ASP 303 CO 0.15 0.29 0.00 0.35 -1.72 0.00 0.00 179.24 178.31 3gyi n THR 304 N -3.29 0.06 -0.90 0.35 -2.24 -0.09 -4.94 114.28 103.23 3gyi n THR 304 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3gyi n THR 304 Cb 0.55 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3gyi n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gyi n GLY 305 N 1.14 0.53 0.12 3.38 0.00 -0.99 -4.93 105.19 104.44 3gyi n GLY 305 Ca 0.18 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3gyi n GLY 305 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gyi h THR 306 N 0.00 0.21 -2.08 2.61 1.35 -1.44 -3.37 112.91 110.20 3gyi h THR 306 Ca 0.00 -1.40 -0.57 0.00 -0.55 0.00 0.00 66.41 63.89 3gyi h THR 306 Cb 0.00 1.76 -0.40 0.00 -1.73 0.00 0.00 68.15 67.78 3gyi h THR 306 CO 0.00 0.12 -0.91 0.18 -0.25 0.00 0.00 175.52 174.66 3gyi n LEU 307 N -2.81 1.63 0.11 3.87 4.77 -0.41 -3.80 117.00 120.36 3gyi n LEU 307 Ca -0.03 -5.00 0.10 0.00 -0.03 0.00 0.00 56.01 51.05 3gyi n LEU 307 Cb 0.65 0.12 0.46 0.00 -2.33 0.00 0.00 43.42 42.33 3gyi n LEU 307 CO 0.41 2.08 0.80 -0.81 -1.33 0.00 0.00 177.39 178.53 3gyi n PRO 308 N 1.14 0.14 -0.44 3.23 -0.04 -1.26 -2.41 135.00 135.36 3gyi n PRO 308 Ca 0.25 0.47 0.09 0.00 -0.04 0.00 0.00 63.50 64.27 3gyi n PRO 308 Cb 0.48 -1.82 0.30 0.00 -0.04 0.00 0.00 33.50 32.42 3gyi n PRO 308 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gyi n ASN 309 N -2.09 3.85 -4.77 3.54 3.02 -1.26 -4.91 115.26 112.64 3gyi n ASN 309 Ca 0.01 -2.20 -0.38 0.00 -0.03 0.00 0.00 54.58 51.99 3gyi n ASN 309 Cb 0.14 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3gyi n ASN 309 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gyi s LEU 310 N -1.34 4.03 0.74 3.41 1.43 -1.01 -4.41 118.68 121.53 3gyi s LEU 310 Ca 0.44 2.46 -0.04 0.00 -1.03 0.00 0.00 54.13 55.97 3gyi s LEU 310 Cb 0.26 -4.17 0.12 0.00 0.03 0.00 0.00 46.19 42.42 3gyi s LEU 310 CO 0.26 -1.03 1.03 0.54 0.23 0.00 0.00 176.35 177.38 3gyi s ASN 311 N -1.15 4.30 0.32 2.29 2.20 -1.26 -4.98 114.94 116.66 3gyi s ASN 311 Ca 0.64 -0.12 0.26 0.00 -0.94 0.00 0.00 52.86 52.69 3gyi s ASN 311 Cb -0.33 -0.29 0.99 0.00 -2.00 0.00 0.00 41.25 39.62 3gyi s ASN 311 CO 0.40 -1.90 1.77 0.77 -2.94 0.00 0.00 177.10 175.21 3gyi h SER 312 N -0.66 0.00 1.14 3.54 4.64 -1.95 -2.77 113.55 117.49 3gyi h SER 312 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3gyi h SER 312 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3gyi h SER 312 CO 0.44 0.00 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.70 3gyi n GLU 313 N -2.46 0.12 -1.91 4.77 -0.58 -1.26 -4.70 120.64 114.61 3gyi n GLU 313 Ca 0.03 0.09 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 3gyi n GLU 313 Cb 0.30 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 3gyi n GLU 313 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3gyi s VAL 314 N -3.05 2.88 0.00 2.62 1.01 -1.05 -1.81 120.40 121.01 3gyi s VAL 314 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3gyi s VAL 314 Cb 0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3gyi s VAL 314 CO 0.58 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3gyi n GLY 315 N 3.96 3.33 3.94 4.51 0.00 0.88 -4.90 105.19 116.90 3gyi n GLY 315 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3gyi n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyi s ALA 316 N -2.91 3.44 -0.35 4.61 0.00 -0.75 -0.71 121.76 125.09 3gyi s ALA 316 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3gyi s ALA 316 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 3gyi s ALA 316 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3gyi n GLY 317 N -2.56 0.23 3.78 0.00 0.00 -1.12 -2.05 105.19 103.46 3gyi n GLY 317 Ca 0.06 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 3gyi n GLY 317 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3gyi s TRP 318 N -2.20 3.85 0.08 1.61 -0.00 -0.48 -3.81 118.94 117.99 3gyi s TRP 318 Ca 0.00 1.52 -0.10 0.00 -0.00 0.00 0.00 56.10 57.52 3gyi s TRP 318 Cb 0.00 -2.72 0.01 0.00 -0.00 0.00 0.00 33.47 30.76 3gyi s TRP 318 CO 0.00 0.48 0.23 0.20 -0.00 0.00 0.00 176.95 177.86 3gyi s GLY 319 N -0.91 0.01 -0.19 5.86 0.00 0.20 -0.20 107.32 112.10 3gyi s GLY 319 Ca 0.35 -0.41 0.03 0.00 0.00 0.00 0.00 44.72 44.69 3gyi s GLY 319 CO 0.24 -0.61 1.36 -1.55 0.00 0.00 0.00 173.10 172.55 3gyi n PRO 320 N 0.15 1.99 -2.49 2.90 -0.04 -1.26 -1.26 135.00 134.99 3gyi n PRO 320 Ca -0.16 -1.51 -0.16 0.00 -0.04 0.00 0.00 63.50 61.62 3gyi n PRO 320 Cb 0.61 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 3gyi n PRO 320 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3gyi n ASN 321 N -0.14 -4.72 -1.96 3.54 5.15 -0.89 -1.60 115.26 114.64 3gyi n ASN 321 Ca 0.25 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 54.10 3gyi n ASN 321 Cb 0.99 -3.96 -0.05 0.00 -0.53 0.00 0.00 39.78 36.22 3gyi n ASN 321 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gyi n GLY 322 N -0.93 0.77 3.70 8.20 0.00 -1.26 -3.79 105.19 111.89 3gyi n GLY 322 Ca -0.18 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3gyi n GLY 322 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gyi s ASN 323 N -2.43 6.73 -0.02 1.61 0.02 -0.63 -2.59 114.94 117.63 3gyi s ASN 323 Ca 0.00 2.37 -0.01 0.00 -1.02 0.00 0.00 52.86 54.20 3gyi s ASN 323 Cb 0.00 -2.58 0.01 0.00 0.02 0.00 0.00 41.25 38.71 3gyi s ASN 323 CO 0.00 -0.76 0.04 -0.63 0.02 0.00 0.00 177.10 175.77 3gyi s ILE 324 N 1.81 -0.02 -0.12 0.60 -1.09 -0.52 -4.84 121.20 117.02 3gyi s ILE 324 Ca 0.68 0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 59.14 3gyi s ILE 324 Cb -0.38 -0.07 -0.03 0.00 -1.58 0.00 0.00 42.46 40.40 3gyi s ILE 324 CO 0.30 0.03 0.01 -0.32 -1.23 0.00 0.00 174.94 173.73 3gyi s MET 325 N 0.42 3.35 0.24 2.79 1.75 -0.97 -0.04 119.30 126.84 3gyi s MET 325 Ca -0.03 -0.40 -0.10 0.00 -1.25 0.00 0.00 55.69 53.90 3gyi s MET 325 Cb -0.05 -2.92 -0.01 0.00 2.84 0.00 0.00 34.83 34.69 3gyi s MET 325 CO -0.01 0.52 0.40 -0.08 -0.65 0.00 0.00 175.02 175.20 3gyi s THR 326 N -0.38 0.00 -0.05 10.11 -1.32 -0.64 -0.63 115.64 122.74 3gyi s THR 326 Ca 0.08 -1.52 -0.14 0.00 -1.21 0.00 0.00 61.69 58.89 3gyi s THR 326 Cb -0.12 -2.25 0.03 0.00 -1.51 0.00 0.00 72.50 68.64 3gyi s THR 326 CO 0.02 -0.01 0.33 0.00 -2.21 0.00 0.00 174.62 172.75 3gyi s ALA 327 N -4.05 -0.83 0.03 11.08 0.00 -1.26 -0.78 121.76 125.96 3gyi s ALA 327 Ca 0.26 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.83 3gyi s ALA 327 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 3gyi s ALA 327 CO 0.09 -0.23 -0.18 1.03 0.00 0.00 0.00 175.76 176.46 3gyi s ARG 328 N -0.87 2.10 -0.29 0.00 0.52 -0.03 -1.88 118.95 118.49 3gyi s ARG 328 Ca -0.09 -0.96 -0.21 0.00 -0.52 0.00 0.00 55.73 53.95 3gyi s ARG 328 Cb -0.04 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 3gyi s ARG 328 CO 0.03 0.55 0.65 0.00 0.02 0.00 0.00 175.30 176.55 3gyi s ALA 329 N -0.89 3.56 0.58 2.13 0.00 -0.42 -1.34 121.76 125.38 3gyi s ALA 329 Ca 0.14 -0.55 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 3gyi s ALA 329 Cb -0.10 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3gyi s ALA 329 CO 0.04 -1.01 1.02 -0.80 0.00 0.00 0.00 175.76 175.02 3gyi s ASN 330 N 1.58 6.18 0.71 0.00 0.01 -0.21 -4.28 114.94 118.93 3gyi s ASN 330 Ca 0.26 1.60 -0.16 0.00 -0.71 0.00 0.00 52.86 53.85 3gyi s ASN 330 Cb -0.15 -2.50 0.02 0.00 0.41 0.00 0.00 41.25 39.03 3gyi s ASN 330 CO 0.11 -0.90 1.25 -1.00 -1.51 0.00 0.00 177.10 175.05 3gyi s HIS 331 N -2.77 2.00 0.47 2.20 3.76 -1.26 -4.88 115.29 114.81 3gyi s HIS 331 Ca 0.59 1.56 0.13 0.00 -0.15 0.00 0.00 55.06 57.19 3gyi s HIS 331 Cb -0.12 -3.59 1.10 0.00 1.11 0.00 0.00 32.58 31.09 3gyi s HIS 331 CO 0.41 -2.82 2.08 0.52 -0.85 0.00 0.00 174.74 174.07 3gyi h MET 332 N -0.01 0.24 0.00 1.40 2.86 -1.97 0.41 114.93 117.85 3gyi h MET 332 Ca -0.49 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3gyi h MET 332 Cb 1.32 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3gyi h MET 332 CO 0.51 0.16 0.00 -2.67 1.06 0.00 0.00 176.91 175.97 3gyi n TRP 333 N -4.49 0.00 -3.05 -0.22 2.14 -1.26 -3.70 117.44 106.85 3gyi n TRP 333 Ca 0.02 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.33 3gyi n TRP 333 Cb 0.17 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.62 3gyi n TRP 333 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 3gyi n ASN 334 N -0.98 4.05 -4.74 -0.67 3.02 0.13 -5.08 115.26 110.98 3gyi n ASN 334 Ca 0.17 -3.58 -0.37 0.00 -0.03 0.00 0.00 54.58 50.76 3gyi n ASN 334 Cb 0.08 -0.59 0.05 0.00 -0.61 0.00 0.00 39.78 38.71 3gyi n ASN 334 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gyi s PRO 335 N -3.19 2.89 0.01 3.52 0.04 -1.24 -4.70 135.00 132.33 3gyi s PRO 335 Ca 0.46 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.76 3gyi s PRO 335 Cb 0.26 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.84 3gyi s PRO 335 CO -0.11 -1.32 1.07 0.25 0.04 0.00 0.00 177.00 176.93 3gyi n THR 336 N -1.50 0.03 0.00 1.26 -2.24 -1.26 -4.85 114.28 105.72 3gyi n THR 336 Ca 0.13 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3gyi n THR 336 Cb 0.48 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3gyi n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gyi n GLY 337 N 1.47 2.20 0.19 3.38 0.00 -1.26 -2.39 105.19 108.78 3gyi n GLY 337 Ca 0.04 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.47 3gyi n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyi h ALA 338 N 0.00 0.88 -2.98 4.61 0.00 -1.88 -3.42 119.26 116.46 3gyi h ALA 338 Ca 0.00 -0.21 -0.70 0.00 0.00 0.00 0.00 54.91 54.00 3gyi h ALA 338 Cb 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 17.47 3gyi h ALA 338 CO 0.00 0.28 -0.54 -1.01 0.00 0.00 0.00 179.25 177.98 3gyi s HIS 339 N -3.21 3.30 -0.13 0.00 3.76 -1.26 -3.73 115.29 114.02 3gyi s HIS 339 Ca 0.05 -1.47 -0.00 0.00 -0.15 0.00 0.00 55.06 53.48 3gyi s HIS 339 Cb 0.07 -2.59 0.03 0.00 1.11 0.00 0.00 32.58 31.19 3gyi s HIS 339 CO 0.69 -0.78 -0.07 -0.65 -0.85 0.00 0.00 174.74 173.08 3gyi s GLN 340 N 1.41 1.53 0.33 1.40 -0.21 -1.26 -4.11 119.66 118.75 3gyi s GLN 340 Ca 0.01 -0.34 -0.28 0.00 0.02 0.00 0.00 55.36 54.77 3gyi s GLN 340 Cb -0.21 -1.73 -0.13 0.00 1.00 0.00 0.00 33.01 31.95 3gyi s GLN 340 CO 0.03 -0.31 1.26 0.45 -2.12 0.00 0.00 175.29 174.59 3gyi n SER 341 N 4.92 2.59 0.14 5.90 2.88 -0.27 -4.84 113.62 124.94 3gyi n SER 341 Ca -0.12 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.74 3gyi n SER 341 Cb 0.49 -1.46 0.49 0.00 -0.75 0.00 0.00 64.21 62.98 3gyi n SER 341 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3gyi h SER 342 N 2.52 0.00 -3.78 -3.46 4.64 -1.49 -3.42 113.55 108.55 3gyi h SER 342 Ca -0.45 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.20 3gyi h SER 342 Cb 1.29 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.19 3gyi h SER 342 CO 0.63 0.00 -0.50 -0.63 -0.87 0.00 0.00 176.83 175.45 3gyi s ILE 343 N -3.31 5.23 0.40 0.95 -1.09 -1.26 -4.81 121.20 117.31 3gyi s ILE 343 Ca 0.05 -0.09 -0.26 0.00 -2.23 0.00 0.00 60.65 58.12 3gyi s ILE 343 Cb 0.10 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 37.28 3gyi s ILE 343 CO 0.44 0.10 1.25 -2.84 -1.23 0.00 0.00 174.94 172.65 3gyi s PRO 344 N 1.73 4.00 -0.00 2.79 0.02 -1.26 -4.94 135.00 137.34 3gyi s PRO 344 Ca 0.06 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.14 3gyi s PRO 344 Cb -0.17 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 3gyi s PRO 344 CO 0.10 -0.42 0.08 0.00 -0.33 0.00 0.00 177.00 176.43 3gyi n ALA 345 N 0.12 2.20 -2.78 -1.55 0.00 -1.26 -4.91 120.51 112.33 3gyi n ALA 345 Ca 0.04 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.26 3gyi n ALA 345 Cb 0.45 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.67 3gyi n ALA 345 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3gyi s LEU 346 N -2.70 2.08 0.20 0.00 2.96 -1.26 -1.35 118.68 118.61 3gyi s LEU 346 Ca -0.00 -0.23 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3gyi s LEU 346 Cb 0.02 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 3gyi s LEU 346 CO 0.10 -0.01 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.20 3gyi s GLY 347 N -0.55 1.37 -0.34 7.98 0.00 -0.51 -1.70 107.32 113.57 3gyi s GLY 347 Ca -0.01 -1.65 -0.13 0.00 0.00 0.00 0.00 44.72 42.93 3gyi s GLY 347 CO -0.00 -1.70 0.27 -0.42 0.00 0.00 0.00 173.10 171.25 3gyi s ILE 348 N -3.16 5.26 -0.63 0.90 1.01 0.65 -0.95 121.20 124.28 3gyi s ILE 348 Ca 0.22 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 3gyi s ILE 348 Cb 0.02 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.87 3gyi s ILE 348 CO 0.06 -0.01 0.74 -0.62 0.00 0.00 0.00 174.94 175.10 3gyi s ASP 349 N 1.73 6.24 -0.29 3.58 -1.08 -1.23 -0.98 116.67 124.63 3gyi s ASP 349 Ca 0.08 -1.54 0.13 0.00 -0.52 0.00 0.00 52.55 50.70 3gyi s ASP 349 Cb -0.17 -2.31 0.47 0.00 -1.46 0.00 0.00 42.92 39.46 3gyi s ASP 349 CO 0.11 -1.09 1.15 0.00 0.52 0.00 0.00 175.17 175.85 3gyi n ALA 350 N 6.25 4.13 -2.99 3.66 0.00 0.41 -4.81 120.51 127.15 3gyi n ALA 350 Ca -0.06 -3.45 -0.39 0.00 0.00 0.00 0.00 53.44 49.54 3gyi n ALA 350 Cb 0.43 -0.55 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 3gyi n ALA 350 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3gyi s TRP 351 N -3.64 3.20 -0.03 0.00 -0.11 -1.06 -1.60 118.94 115.69 3gyi s TRP 351 Ca 0.42 -0.91 0.05 0.00 1.22 0.00 0.00 56.10 56.87 3gyi s TRP 351 Cb 0.38 -2.34 0.08 0.00 -1.50 0.00 0.00 33.47 30.09 3gyi s TRP 351 CO -0.00 -0.58 0.94 -0.40 -4.62 0.00 0.00 176.95 172.28 3gyi n ASP 352 N 4.93 1.39 0.00 5.86 5.75 -1.26 -4.97 116.55 128.25 3gyi n ASP 352 Ca -0.13 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 3gyi n ASP 352 Cb 0.47 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 3gyi n ASP 352 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3gyi n ASN 353 N -0.57 0.00 -4.67 -1.12 3.02 -1.26 -5.06 115.26 105.59 3gyi n ASN 353 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.30 3gyi n ASN 353 Cb 0.47 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.76 3gyi n ASN 353 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3gyi s SER 354 N -3.05 4.12 0.00 6.41 1.04 -1.26 -4.94 113.70 116.02 3gyi s SER 354 Ca 0.00 0.58 0.20 0.00 0.48 0.00 0.00 55.95 57.21 3gyi s SER 354 Cb 0.00 -0.95 0.94 0.00 0.10 0.00 0.00 66.02 66.11 3gyi s SER 354 CO 0.00 -2.12 1.62 0.47 0.98 0.00 0.00 173.24 174.18 3gyi n ASP 355 N -3.41 0.00 -0.37 7.02 10.43 -1.26 -1.38 116.55 127.58 3gyi n ASP 355 Ca 0.10 0.16 0.13 0.00 2.57 0.00 0.00 54.79 57.75 3gyi n ASP 355 Cb 0.60 -0.35 0.58 0.00 1.84 0.00 0.00 41.12 43.79 3gyi n ASP 355 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3gyi n SER 356 N -1.35 1.14 -4.72 -2.24 3.41 -1.26 -4.70 113.62 103.91 3gyi n SER 356 Ca 0.08 -1.44 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 3gyi n SER 356 Cb 0.18 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3gyi n SER 356 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3gyi n SER 357 N -0.09 3.18 -3.75 4.04 7.64 -0.48 -4.93 113.62 119.23 3gyi n SER 357 Ca 0.19 1.19 -0.13 0.00 1.01 0.00 0.00 58.87 61.13 3gyi n SER 357 Cb 0.28 -1.52 -0.14 0.00 -1.01 0.00 0.00 64.21 61.82 3gyi n SER 357 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gyi s VAL 358 N -0.69 -0.04 -0.19 0.44 1.01 -0.63 -3.89 120.40 116.42 3gyi s VAL 358 Ca 0.59 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 3gyi s VAL 358 Cb -0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3gyi s VAL 358 CO 0.58 0.06 -0.09 0.12 0.00 0.00 0.00 175.10 175.77 3gyi s PHE 359 N 1.04 2.89 -0.15 5.22 5.36 -0.11 -0.45 117.98 131.78 3gyi s PHE 359 Ca -0.08 -0.92 0.02 0.00 -0.96 0.00 0.00 56.93 54.99 3gyi s PHE 359 Cb -0.10 -2.00 0.01 0.00 -0.34 0.00 0.00 43.02 40.59 3gyi s PHE 359 CO -0.05 -0.46 -0.21 0.00 -1.46 0.00 0.00 175.22 173.03 3gyi s ALA 360 N 1.08 2.29 0.15 11.12 0.00 -0.16 -0.53 121.76 135.71 3gyi s ALA 360 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3gyi s ALA 360 Cb -0.15 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.85 3gyi s ALA 360 CO -0.02 -0.08 1.26 -2.00 0.00 0.00 0.00 175.76 174.92 3gyi s GLU 361 N 0.89 4.42 -0.58 0.00 2.12 0.09 -0.25 118.70 125.40 3gyi s GLU 361 Ca -0.05 1.93 -0.24 0.00 0.36 0.00 0.00 54.97 56.97 3gyi s GLU 361 Cb -0.15 -3.25 0.05 0.00 0.26 0.00 0.00 34.13 31.03 3gyi s GLU 361 CO -0.04 -0.22 0.96 0.42 -0.54 0.00 0.00 175.26 175.84 3gyi s ILE 362 N 0.44 4.34 -0.07 -3.70 1.01 -0.69 -1.91 121.20 120.62 3gyi s ILE 362 Ca 0.57 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 3gyi s ILE 362 Cb -0.34 -4.59 -0.05 0.00 0.01 0.00 0.00 42.46 37.50 3gyi s ILE 362 CO 0.34 -1.21 0.38 0.00 0.00 0.00 0.00 174.94 174.45 3gyi s ALA 363 N 4.06 3.64 0.59 9.38 0.00 -0.07 -4.60 121.76 134.75 3gyi s ALA 363 Ca 0.29 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 3gyi s ALA 363 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3gyi s ALA 363 CO 0.17 0.30 1.10 -1.25 0.00 0.00 0.00 175.76 176.08 3gyi s PRO 364 N -0.36 3.20 -0.13 0.00 0.04 -1.26 -4.04 135.00 132.44 3gyi s PRO 364 Ca 0.22 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 3gyi s PRO 364 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3gyi s PRO 364 CO 0.10 -0.94 -0.08 1.41 0.04 0.00 0.00 177.00 177.53 3gyi s MET 365 N -3.73 3.36 0.00 4.56 1.75 -1.26 -4.98 119.30 119.00 3gyi s MET 365 Ca 0.68 -0.59 0.28 0.00 -1.25 0.00 0.00 55.69 54.80 3gyi s MET 365 Cb -0.20 -2.73 1.64 0.00 2.84 0.00 0.00 34.83 36.38 3gyi s MET 365 CO 0.33 0.32 2.06 -0.35 -0.65 0.00 0.00 175.02 176.73 3gyi n PRO 366 N 3.25 1.00 -0.10 4.11 -0.04 -1.26 -4.45 135.00 137.51 3gyi n PRO 366 Ca -0.18 -0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.43 3gyi n PRO 366 Cb 0.53 -1.43 0.55 0.00 -0.04 0.00 0.00 33.50 33.11 3gyi n PRO 366 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gyi h ALA 367 N 3.86 2.18 0.00 0.55 0.00 -1.94 -3.45 119.26 120.46 3gyi h ALA 367 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gyi h ALA 367 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gyi h ALA 367 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.31 3gyi n GLY 368 N -1.55 0.66 3.25 0.00 0.00 -1.24 -4.98 105.19 101.32 3gyi n GLY 368 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 3gyi n GLY 368 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gyi s LEU 369 N 0.00 2.51 0.04 0.99 -0.00 -1.26 -4.80 118.68 116.16 3gyi s LEU 369 Ca 0.00 -0.97 -0.31 0.00 -0.00 0.00 0.00 54.13 52.86 3gyi s LEU 369 Cb 0.00 -0.40 -0.06 0.00 -0.00 0.00 0.00 46.19 45.73 3gyi s LEU 369 CO 0.00 -0.29 1.36 -0.70 -0.00 0.00 0.00 176.35 176.73 3gyi s GLU 370 N -3.51 4.32 0.00 1.48 2.56 -1.26 -4.52 118.70 117.77 3gyi s GLU 370 Ca 0.15 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.09 3gyi s GLU 370 Cb 0.01 -3.44 0.00 0.00 2.00 0.00 0.00 34.13 32.70 3gyi s GLU 370 CO 0.01 -0.48 0.00 0.25 -0.56 0.00 0.00 175.26 174.48 3gyi n THR 371 N 4.33 0.00 -1.05 -1.70 -2.24 -1.26 -5.01 114.28 107.36 3gyi n THR 371 Ca 0.12 -0.47 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3gyi n THR 371 Cb 0.44 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 3gyi n THR 371 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3gyi n TRP 372 N -0.96 0.00 -3.39 4.78 8.01 -1.26 -4.92 117.44 119.70 3gyi n TRP 372 Ca 0.00 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.81 3gyi n TRP 372 Cb 0.00 -1.84 -0.06 0.00 -2.01 0.00 0.00 31.31 27.40 3gyi n TRP 372 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3gyi s VAL 373 N -1.28 4.99 -0.19 -0.99 1.01 -1.26 -1.04 120.40 121.64 3gyi s VAL 373 Ca 0.00 0.97 -0.07 0.00 0.00 0.00 0.00 61.98 62.88 3gyi s VAL 373 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3gyi s VAL 373 CO 0.00 0.50 0.05 -0.44 0.00 0.00 0.00 175.10 175.22 3gyi s SER 374 N -0.62 5.49 -0.01 3.32 0.01 -0.45 -4.85 113.70 116.59 3gyi s SER 374 Ca 0.26 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.58 3gyi s SER 374 Cb -0.17 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 3gyi s SER 374 CO 0.14 0.15 -0.10 -0.22 0.41 0.00 0.00 173.24 173.62 3gyi s LEU 375 N 0.49 3.00 -0.00 2.44 2.96 -1.26 -0.85 118.68 125.47 3gyi s LEU 375 Ca 0.02 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3gyi s LEU 375 Cb -0.13 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3gyi s LEU 375 CO 0.01 0.30 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.99 3gyi s TYR 376 N -0.91 0.36 -0.37 5.38 2.02 0.04 -0.89 117.35 122.97 3gyi s TYR 376 Ca 0.15 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.71 3gyi s TYR 376 Cb -0.11 -0.23 0.07 0.00 -0.40 0.00 0.00 41.96 41.29 3gyi s TYR 376 CO 0.05 -0.01 0.15 -1.17 -1.57 0.00 0.00 175.55 173.00 3gyi s LEU 377 N -0.17 4.69 0.11 -1.29 2.96 -0.80 -1.62 118.68 122.55 3gyi s LEU 377 Ca 0.01 -1.48 -0.23 0.00 -0.22 0.00 0.00 54.13 52.20 3gyi s LEU 377 Cb -0.02 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 3gyi s LEU 377 CO -0.00 -0.42 0.71 0.00 -1.32 0.00 0.00 176.35 175.31 3gyi s ALA 378 N 1.32 3.48 -0.21 5.97 0.00 0.94 -0.73 121.76 132.53 3gyi s ALA 378 Ca 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 3gyi s ALA 378 Cb -0.21 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 3gyi s ALA 378 CO 0.00 0.28 -0.06 0.42 0.00 0.00 0.00 175.76 176.40 3gyi s ILE 379 N -0.93 3.22 0.38 0.00 1.01 0.31 -1.44 121.20 123.75 3gyi s ILE 379 Ca 0.34 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.49 3gyi s ILE 379 Cb -0.21 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.74 3gyi s ILE 379 CO 0.23 0.44 0.04 0.42 0.00 0.00 0.00 174.94 176.08 3gyi s THR 380 N 1.43 1.39 -0.47 2.92 -4.23 -1.07 -0.94 115.64 114.67 3gyi s THR 380 Ca 0.05 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.50 3gyi s THR 380 Cb -0.14 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.07 3gyi s THR 380 CO -0.04 0.00 0.31 -0.75 -0.54 0.00 0.00 174.62 173.60 3gyi s LYS 381 N -3.81 2.34 -0.17 3.99 2.20 -1.25 -4.01 119.74 119.03 3gyi s LYS 381 Ca 0.31 -1.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.07 3gyi s LYS 381 Cb 0.08 -3.81 0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3gyi s LYS 381 CO 0.15 -1.16 -0.09 1.21 -0.36 0.00 0.00 175.35 175.11 3gyi s ASN 382 N 2.24 2.98 0.14 1.43 2.47 -1.26 -4.83 114.94 118.11 3gyi s ASN 382 Ca 0.08 -0.70 0.22 0.00 0.42 0.00 0.00 52.86 52.87 3gyi s ASN 382 Cb -0.24 -1.07 0.87 0.00 -1.45 0.00 0.00 41.25 39.35 3gyi s ASN 382 CO -0.02 -0.15 1.66 -0.81 -3.72 0.00 0.00 177.10 174.06 3gyi n PRO 383 N 4.79 0.12 -1.78 0.43 -0.04 -1.26 -4.84 135.00 132.43 3gyi n PRO 383 Ca -0.14 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 3gyi n PRO 383 Cb 0.48 -1.70 0.01 0.00 -0.04 0.00 0.00 33.50 32.24 3gyi n PRO 383 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3gyi s GLN 384 N -3.15 3.95 0.07 0.54 -1.52 -1.26 -5.02 119.66 113.28 3gyi s GLN 384 Ca 0.07 2.55 0.05 0.00 -1.95 0.00 0.00 55.36 56.07 3gyi s GLN 384 Cb 0.11 -2.86 -0.03 0.00 -0.22 0.00 0.00 33.01 30.01 3gyi s GLN 384 CO 0.39 -0.65 -0.13 1.03 -0.25 0.00 0.00 175.29 175.68 3gyi s ARG 385 N -2.23 0.78 0.47 2.91 1.81 -1.26 -4.76 118.95 116.67 3gyi s ARG 385 Ca 0.56 -0.96 0.07 0.00 -1.72 0.00 0.00 55.73 53.67 3gyi s ARG 385 Cb -0.46 -0.71 0.00 0.00 -0.45 0.00 0.00 34.95 33.33 3gyi s ARG 385 CO 0.62 0.15 0.37 0.20 -0.68 0.00 0.00 175.30 175.96 3gyi s GLY 386 N -1.83 2.25 -0.03 -3.53 0.00 0.73 -4.89 107.32 100.02 3gyi s GLY 386 Ca -0.02 -1.68 0.03 0.00 0.00 0.00 0.00 44.72 43.04 3gyi s GLY 386 CO 0.02 -1.83 -0.09 -1.59 0.00 0.00 0.00 173.10 169.60 3gyi s THR 387 N -2.62 0.82 -0.05 0.90 2.01 -0.92 -1.38 115.64 114.40 3gyi s THR 387 Ca 0.42 -0.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 3gyi s THR 387 Cb -0.02 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 3gyi s THR 387 CO 0.25 0.26 0.74 -0.36 -0.69 0.00 0.00 174.62 174.82 3gyi s PHE 388 N 0.19 3.60 -0.15 4.92 0.08 0.11 -0.44 117.98 126.28 3gyi s PHE 388 Ca -0.03 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.34 3gyi s PHE 388 Cb -0.09 -2.85 0.02 0.00 -0.57 0.00 0.00 43.02 39.53 3gyi s PHE 388 CO 0.01 0.08 -0.14 0.08 -0.10 0.00 0.00 175.22 175.15 3gyi s VAL 389 N 0.79 1.55 0.20 -0.44 1.01 0.14 -4.62 120.40 119.03 3gyi s VAL 389 Ca 0.40 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 3gyi s VAL 389 Cb -0.18 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 3gyi s VAL 389 CO 0.20 0.45 1.50 -0.47 0.00 0.00 0.00 175.10 176.77 3gyi s TYR 390 N 1.50 3.06 -0.49 5.22 5.04 -1.26 -1.09 117.35 129.32 3gyi s TYR 390 Ca 0.05 0.83 -0.13 0.00 -2.44 0.00 0.00 57.07 55.38 3gyi s TYR 390 Cb -0.13 -3.86 0.11 0.00 0.35 0.00 0.00 41.96 38.43 3gyi s TYR 390 CO -0.11 -3.01 0.40 0.34 -1.34 0.00 0.00 175.55 171.83 3gyi s ASP 391 N 0.81 5.94 0.49 4.32 3.68 0.14 -4.92 116.67 127.12 3gyi s ASP 391 Ca 0.65 -1.75 0.22 0.00 2.13 0.00 0.00 52.55 53.80 3gyi s ASP 391 Cb -0.42 -2.11 1.26 0.00 -1.45 0.00 0.00 42.92 40.21 3gyi s ASP 391 CO 0.36 -0.73 2.04 0.00 0.13 0.00 0.00 175.17 176.97 3gyi h ALA 392 N 8.65 1.46 -0.08 3.66 0.00 -1.94 0.56 119.26 131.57 3gyi h ALA 392 Ca -0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gyi h ALA 392 Cb 1.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gyi h ALA 392 CO 0.92 0.19 0.04 0.00 0.00 0.00 0.00 179.25 180.40 3gyi h ALA 393 N 1.85 0.11 -0.01 0.00 0.00 -1.94 -3.18 119.26 116.09 3gyi h ALA 393 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gyi h ALA 393 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gyi h ALA 393 CO 0.02 -0.34 -0.39 0.25 0.00 0.00 0.00 179.25 178.78 3gyi n THR 394 N -4.97 0.00 -3.57 0.00 -2.24 -1.14 -4.97 114.28 97.37 3gyi n THR 394 Ca -0.06 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 3gyi n THR 394 Cb 0.08 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.46 3gyi n THR 394 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3gyi n ASP 395 N -0.06 -4.93 -4.13 3.42 2.03 0.17 -5.01 116.55 108.04 3gyi n ASP 395 Ca 0.10 -0.59 -0.19 0.00 0.52 0.00 0.00 54.79 54.63 3gyi n ASP 395 Cb 0.45 -4.97 -0.13 0.00 -0.72 0.00 0.00 41.12 35.75 3gyi n ASP 395 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3gyi s ARG 396 N -6.06 0.89 0.18 -0.67 1.81 -1.07 -4.98 118.95 109.05 3gyi s ARG 396 Ca 0.41 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 53.38 3gyi s ARG 396 Cb -0.18 -0.89 -0.07 0.00 -0.45 0.00 0.00 34.95 33.36 3gyi s ARG 396 CO 0.74 0.22 0.98 0.00 -0.68 0.00 0.00 175.30 176.55 3gyi s ALA 397 N -0.86 3.31 -0.02 2.13 0.00 -1.26 0.23 121.76 125.29 3gyi s ALA 397 Ca 0.01 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 3gyi s ALA 397 Cb -0.08 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3gyi s ALA 397 CO 0.01 0.04 0.05 0.15 0.00 0.00 0.00 175.76 176.01 3gyi s LYS 398 N -0.59 3.00 -0.34 0.00 1.02 -0.25 -4.92 119.74 117.66 3gyi s LYS 398 Ca 0.45 -0.49 -0.12 0.00 0.02 0.00 0.00 55.97 55.83 3gyi s LYS 398 Cb -0.26 -2.82 -0.00 0.00 -0.52 0.00 0.00 37.83 34.23 3gyi s LYS 398 CO 0.32 0.66 0.21 -1.17 -0.92 0.00 0.00 175.35 174.44 3gyi s LEU 399 N -1.54 4.45 -1.03 3.17 2.96 -1.26 -0.68 118.68 124.75 3gyi s LEU 399 Ca 0.20 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.34 3gyi s LEU 399 Cb -0.12 -2.07 0.12 0.00 0.50 0.00 0.00 46.19 44.62 3gyi s LEU 399 CO 0.11 -0.26 1.29 0.20 -1.32 0.00 0.00 176.35 176.36 3gyi s ASN 400 N 1.65 6.71 -0.04 3.68 0.01 0.41 -4.51 114.94 122.85 3gyi s ASN 400 Ca 0.05 -2.17 0.02 0.00 -0.71 0.00 0.00 52.86 50.05 3gyi s ASN 400 Cb -0.18 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3gyi s ASN 400 CO 0.08 -1.08 -0.08 0.86 -1.51 0.00 0.00 177.10 175.37 3gyi s TRP 401 N 2.95 1.03 0.10 2.20 -0.11 -1.26 -2.16 118.94 121.69 3gyi s TRP 401 Ca 0.38 -0.31 0.08 0.00 1.22 0.00 0.00 56.10 57.47 3gyi s TRP 401 Cb -0.03 -0.79 -0.04 0.00 -1.50 0.00 0.00 33.47 31.11 3gyi s TRP 401 CO -0.06 -0.18 -0.13 0.95 -4.62 0.00 0.00 176.95 172.90 3gyi s THR 402 N 0.58 3.14 0.36 5.86 -4.23 -1.26 -4.14 115.64 115.94 3gyi s THR 402 Ca -0.10 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 3gyi s THR 402 Cb -0.13 -2.45 0.30 0.00 1.34 0.00 0.00 72.50 71.56 3gyi s THR 402 CO 0.01 0.13 1.94 -0.09 -0.54 0.00 0.00 174.62 176.07 3gyi h ARG 403 N 3.74 0.73 0.00 3.99 2.43 -1.91 0.48 114.38 123.84 3gyi h ARG 403 Ca -0.49 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3gyi h ARG 403 Cb 1.17 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3gyi h ARG 403 CO 0.50 0.49 -0.00 0.38 -1.51 0.00 0.00 179.97 179.82 3gyi h ASP 404 N 0.76 0.00 0.60 -3.80 2.03 -1.95 -0.79 116.42 113.26 3gyi h ASP 404 Ca 0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 3gyi h ASP 404 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 3gyi h ASP 404 CO -0.12 0.00 0.00 1.56 -1.03 0.00 0.00 179.24 179.65 3gyi h GLN 405 N 0.00 0.00 -0.08 4.15 4.20 -1.31 -1.70 115.11 120.37 3gyi h GLN 405 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gyi h GLN 405 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3gyi h GLN 405 CO 0.00 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.25 3gyi n ASN 406 N -2.46 1.45 -0.28 1.46 3.02 -0.30 -4.39 115.26 113.74 3gyi n ASN 406 Ca 0.01 -1.57 0.01 0.00 -0.03 0.00 0.00 54.58 52.99 3gyi n ASN 406 Cb 0.20 -0.05 0.13 0.00 -0.61 0.00 0.00 39.78 39.45 3gyi n ASN 406 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gyi h ALA 407 N 4.17 1.10 -0.48 5.41 0.00 -1.43 -0.65 119.26 127.37 3gyi h ALA 407 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gyi h ALA 407 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3gyi h ALA 407 CO 0.00 0.17 0.18 -1.35 0.00 0.00 0.00 179.25 178.25 3gyi h PRO 408 N 0.85 0.69 -0.14 0.00 0.11 -1.82 0.68 132.00 132.37 3gyi h PRO 408 Ca 0.36 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3gyi h PRO 408 Cb 0.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3gyi h PRO 408 CO -0.19 0.58 0.02 0.00 -0.21 0.00 0.00 178.00 178.20 3gyi h ALA 409 N 1.52 0.19 -0.43 -0.75 0.00 -1.58 -1.64 119.26 116.56 3gyi h ALA 409 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3gyi h ALA 409 Cb 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3gyi h ALA 409 CO -0.01 -0.14 0.16 0.28 0.00 0.00 0.00 179.25 179.54 3gyi h VAL 410 N 0.01 0.88 -0.61 0.00 2.07 -0.89 -1.16 116.25 116.54 3gyi h VAL 410 Ca 0.04 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gyi h VAL 410 Cb 0.32 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3gyi h VAL 410 CO 0.00 0.06 0.40 0.78 0.02 0.00 0.00 177.57 178.84 3gyi h ASN 411 N 0.34 0.70 -0.15 0.57 2.35 -0.71 0.24 115.58 118.91 3gyi h ASN 411 Ca 0.20 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3gyi h ASN 411 Cb 0.18 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gyi h ASN 411 CO -0.19 0.50 -0.02 0.00 -1.65 0.00 0.00 177.43 176.07 3gyi h ALA 412 N 1.23 0.20 -0.42 -0.83 0.00 -1.02 -0.81 119.26 117.61 3gyi h ALA 412 Ca 0.23 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gyi h ALA 412 Cb -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gyi h ALA 412 CO -0.05 -0.07 0.24 0.00 0.00 0.00 0.00 179.25 179.37 3gyi h ALA 413 N 0.73 0.53 -0.77 0.00 0.00 -0.89 -2.47 119.26 116.39 3gyi h ALA 413 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gyi h ALA 413 Cb 0.42 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3gyi h ALA 413 CO 0.01 -0.08 0.45 -0.22 0.00 0.00 0.00 179.25 179.41 3gyi h LYS 414 N 0.49 1.06 -0.64 0.00 3.64 -0.43 -1.00 116.57 119.69 3gyi h LYS 414 Ca 0.17 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3gyi h LYS 414 Cb 0.01 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 3gyi h LYS 414 CO -0.08 0.76 0.23 0.00 -2.27 0.00 0.00 179.45 178.09 3gyi h ALA 415 N 1.24 1.20 0.07 5.00 0.00 -0.91 0.26 119.26 126.11 3gyi h ALA 415 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gyi h ALA 415 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gyi h ALA 415 CO -0.05 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 3gyi h LEU 416 N 0.93 -0.08 -0.82 0.00 7.12 -0.99 -2.94 115.31 118.53 3gyi h LEU 416 Ca 0.21 -0.35 -0.07 0.00 0.13 0.00 0.00 57.88 57.80 3gyi h LEU 416 Cb 0.22 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 3gyi h LEU 416 CO -0.01 0.32 -0.36 -0.26 -0.13 0.00 0.00 178.44 177.99 3gyi h PHE 417 N -0.48 0.00 -0.65 1.25 0.04 -1.08 -2.38 116.94 113.64 3gyi h PHE 417 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3gyi h PHE 417 Cb 0.42 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 3gyi h PHE 417 CO 0.05 0.36 0.34 -0.44 -0.60 0.00 0.00 178.31 178.02 3gyi h ASP 418 N 0.00 0.81 -0.63 2.17 3.45 -0.48 0.83 116.42 122.56 3gyi h ASP 418 Ca -0.00 -0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.35 3gyi h ASP 418 Cb 0.94 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.48 3gyi h ASP 418 CO 0.05 0.67 0.25 0.03 -1.57 0.00 0.00 179.24 178.67 3gyi h ARG 419 N 0.91 0.95 -0.42 3.56 3.08 -1.24 0.38 114.38 121.60 3gyi h ARG 419 Ca 0.23 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3gyi h ARG 419 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3gyi h ARG 419 CO -0.03 0.80 -0.03 0.82 -1.07 0.00 0.00 179.97 180.45 3gyi h ILE 420 N 0.89 1.27 -0.65 2.04 2.04 -1.27 -1.77 117.51 120.05 3gyi h ILE 420 Ca 0.21 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3gyi h ILE 420 Cb 0.21 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3gyi h ILE 420 CO -0.02 0.37 0.17 0.78 0.00 0.00 0.00 178.15 179.46 3gyi h ASN 421 N 0.59 0.95 -0.59 1.72 2.35 -0.66 -2.20 115.58 117.74 3gyi h ASN 421 Ca 0.11 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3gyi h ASN 421 Cb 0.53 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3gyi h ASN 421 CO 0.03 0.91 0.03 0.50 -1.65 0.00 0.00 177.43 177.25 3gyi h LYS 422 N 0.97 1.01 0.00 0.81 3.64 -0.76 0.19 116.57 122.43 3gyi h LYS 422 Ca 0.21 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3gyi h LYS 422 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3gyi h LYS 422 CO -0.00 0.99 -0.28 0.00 -2.27 0.00 0.00 179.45 177.88 3gyi h ALA 423 N 0.99 1.26 -0.01 5.00 0.00 -1.10 -3.23 119.26 122.16 3gyi h ALA 423 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gyi h ALA 423 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gyi h ALA 423 CO 0.02 0.35 -0.26 0.09 0.00 0.00 0.00 179.25 179.45 3gyi n ASN 424 N -3.80 1.30 -3.11 0.00 3.02 -0.85 -4.92 115.26 106.91 3gyi n ASN 424 Ca -0.01 -1.15 -0.22 0.00 -0.03 0.00 0.00 54.58 53.16 3gyi n ASN 424 Cb 0.37 0.49 0.05 0.00 -0.61 0.00 0.00 39.78 40.08 3gyi n ASN 424 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gyi n GLY 425 N 0.98 -0.49 3.82 7.41 0.00 0.63 -5.02 105.19 112.52 3gyi n GLY 425 Ca 0.05 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3gyi n GLY 425 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyi s THR 426 N -3.21 3.07 0.27 2.61 -4.23 -0.94 -5.02 115.64 108.19 3gyi s THR 426 Ca 0.38 -1.47 0.09 0.00 -1.18 0.00 0.00 61.69 59.51 3gyi s THR 426 Cb -0.17 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 3gyi s THR 426 CO 0.47 -0.11 -0.13 0.27 -0.54 0.00 0.00 174.62 174.57 3gyi s ILE 427 N -2.40 2.04 0.77 2.99 -4.36 -1.26 -4.67 121.20 114.31 3gyi s ILE 427 Ca 0.42 -2.25 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 3gyi s ILE 427 Cb -0.04 -2.34 0.06 0.00 1.25 0.00 0.00 42.46 41.40 3gyi s ILE 427 CO 0.26 -0.39 1.11 -0.31 0.24 0.00 0.00 174.94 175.85 3gyi s TYR 428 N -2.77 2.41 0.34 1.37 2.02 -1.26 -1.30 117.35 118.15 3gyi s TYR 428 Ca 0.28 1.60 -0.26 0.00 -0.37 0.00 0.00 57.07 58.32 3gyi s TYR 428 Cb -0.00 -3.14 -0.10 0.00 -0.40 0.00 0.00 41.96 38.32 3gyi s TYR 428 CO 0.12 -1.98 0.97 1.03 -1.57 0.00 0.00 175.55 174.12 3gyi s ARG 429 N -4.65 4.50 0.00 -0.62 1.81 -0.79 -4.59 118.95 114.61 3gyi s ARG 429 Ca 0.64 1.37 0.02 0.00 -1.72 0.00 0.00 55.73 56.04 3gyi s ARG 429 Cb -0.19 -2.74 0.01 0.00 -0.45 0.00 0.00 34.95 31.57 3gyi s ARG 429 CO 0.53 0.19 0.44 0.66 -0.68 0.00 0.00 175.30 176.44 3gyi n TYR 430 N 0.42 0.00 -0.04 -0.53 4.02 -1.26 -4.29 117.16 115.49 3gyi n TYR 430 Ca 0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.93 3gyi n TYR 430 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.86 3gyi n TYR 430 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3gyi n ASP 431 N -0.18 2.18 0.04 7.72 5.75 -1.26 -1.36 116.55 129.44 3gyi n ASP 431 Ca 0.01 -1.96 0.12 0.00 -0.01 0.00 0.00 54.79 52.95 3gyi n ASP 431 Cb 0.05 -0.05 0.29 0.00 -1.03 0.00 0.00 41.12 40.37 3gyi n ASP 431 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gyi n LEU 432 N -0.24 0.55 -0.21 -2.12 4.77 -1.26 -4.20 117.00 114.29 3gyi n LEU 432 Ca 0.03 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 3gyi n LEU 432 Cb 0.28 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3gyi n LEU 432 CO 0.02 -0.01 0.36 0.49 -1.33 0.00 0.00 177.39 176.92 3gyi n PHE 433 N -1.86 0.03 0.00 -1.77 0.99 -1.26 -4.18 117.46 109.41 3gyi n PHE 433 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3gyi n PHE 433 Cb 0.39 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.87 3gyi n PHE 433 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gyi n GLY 434 N 0.23 2.02 0.25 1.37 0.00 -1.26 -5.00 105.19 102.80 3gyi n GLY 434 Ca 0.03 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 3gyi n GLY 434 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gyi h THR 435 N 2.69 1.27 -3.79 2.61 1.35 -1.93 -3.43 112.91 111.69 3gyi h THR 435 Ca 0.00 -1.66 -0.53 0.00 -0.55 0.00 0.00 66.41 63.67 3gyi h THR 435 Cb 0.00 1.53 0.08 0.00 -1.73 0.00 0.00 68.15 68.03 3gyi h THR 435 CO 0.00 0.55 0.74 0.00 -0.25 0.00 0.00 175.52 176.56 3gyi s GLN 436 N -4.24 4.21 -0.34 4.72 1.03 -1.26 -4.88 119.66 118.90 3gyi s GLN 436 Ca -0.11 2.43 -0.39 0.00 0.04 0.00 0.00 55.36 57.33 3gyi s GLN 436 Cb 0.11 -3.02 -0.15 0.00 0.03 0.00 0.00 33.01 29.98 3gyi s GLN 436 CO 0.88 -0.42 1.96 1.28 -2.54 0.00 0.00 175.29 176.46 3gyi n LEU 437 N 0.99 2.05 -3.19 2.60 4.77 -1.26 -4.82 117.00 118.15 3gyi n LEU 437 Ca 0.02 0.78 0.01 0.00 -0.03 0.00 0.00 56.01 56.80 3gyi n LEU 437 Cb 0.40 -1.15 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 3gyi n LEU 437 CO 0.62 -0.59 0.10 -0.75 -1.33 0.00 0.00 177.39 175.44 3gyi s LYS 438 N 4.88 0.53 0.22 3.23 2.20 -0.46 -5.03 119.74 125.31 3gyi s LYS 438 Ca 1.06 0.76 0.23 0.00 -0.36 0.00 0.00 55.97 57.66 3gyi s LYS 438 Cb -1.06 0.28 0.25 0.00 -1.51 0.00 0.00 37.83 35.79 3gyi s LYS 438 CO 0.60 -0.77 1.31 0.00 -0.36 0.00 0.00 175.35 176.13 3gyi h ALA 439 N 8.03 0.66 -3.32 3.13 0.00 -1.79 -3.40 119.26 122.58 3gyi h ALA 439 Ca -0.15 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.16 3gyi h ALA 439 Cb 1.16 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.59 3gyi h ALA 439 CO 0.23 0.00 -0.81 -0.06 0.00 0.00 0.00 179.25 178.61 3gyi s PHE 440 N -3.25 2.16 -0.18 0.00 0.40 -1.26 -4.11 117.98 111.75 3gyi s PHE 440 Ca 0.04 -1.36 -0.29 0.00 -0.60 0.00 0.00 56.93 54.72 3gyi s PHE 440 Cb 0.10 -1.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 3gyi s PHE 440 CO 0.73 -0.69 1.10 0.00 0.70 0.00 0.00 175.22 177.06 3gyi s ALA 441 N 1.48 3.62 -0.06 5.36 0.00 0.20 -4.89 121.76 127.47 3gyi s ALA 441 Ca 0.01 0.31 0.09 0.00 0.00 0.00 0.00 51.96 52.37 3gyi s ALA 441 Cb -0.15 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.56 3gyi s ALA 441 CO -0.09 -0.98 1.03 -0.40 0.00 0.00 0.00 175.76 175.33 3gyi n ASP 442 N 6.07 1.23 -1.55 0.00 5.75 -1.26 -2.29 116.55 124.49 3gyi n ASP 442 Ca 0.12 -2.43 0.04 0.00 -0.01 0.00 0.00 54.79 52.51 3gyi n ASP 442 Cb 0.46 -0.27 0.02 0.00 -1.03 0.00 0.00 41.12 40.30 3gyi n ASP 442 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3gyi n ASP 443 N -0.69 1.03 -4.41 -1.12 5.68 -1.26 -4.81 116.55 110.97 3gyi n ASP 443 Ca 0.07 -2.02 -0.20 0.00 -0.50 0.00 0.00 54.79 52.14 3gyi n ASP 443 Cb 0.62 -0.31 -0.10 0.00 -1.14 0.00 0.00 41.12 40.19 3gyi n ASP 443 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3gyi s PHE 444 N -0.19 1.86 -0.17 2.11 -0.71 -1.26 -1.08 117.98 118.53 3gyi s PHE 444 Ca 0.34 -0.84 -0.29 0.00 -1.04 0.00 0.00 56.93 55.10 3gyi s PHE 444 Cb 0.39 -1.12 0.11 0.00 -1.21 0.00 0.00 43.02 41.18 3gyi s PHE 444 CO -0.16 0.11 0.92 0.00 -1.34 0.00 0.00 175.22 174.75 3gyi n TYR 446 N 1.28 0.19 -3.26 0.00 4.01 -1.26 -1.32 117.16 116.79 3gyi n TYR 446 Ca -0.13 0.06 -0.26 0.00 -0.16 0.00 0.00 57.90 57.40 3gyi n TYR 446 Cb 0.57 -0.61 -0.07 0.00 -0.31 0.00 0.00 39.34 38.92 3gyi n TYR 446 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3gyi n HIS 447 N -2.37 3.21 -2.24 -0.72 8.25 -1.26 -4.86 115.22 115.23 3gyi n HIS 447 Ca -0.05 -4.04 -0.42 0.00 -0.26 0.00 0.00 57.72 52.95 3gyi n HIS 447 Cb 0.60 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 3gyi n HIS 447 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3gyi s PRO 448 N -2.62 4.38 -0.04 -0.41 0.04 -1.26 -3.39 135.00 131.71 3gyi s PRO 448 Ca 0.42 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.48 3gyi s PRO 448 Cb 0.20 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.53 3gyi s PRO 448 CO -0.06 -0.29 -0.02 -0.51 0.04 0.00 0.00 177.00 176.17 3gyi s LEU 449 N 0.34 1.18 0.00 -3.56 1.43 -0.39 -4.65 118.68 113.04 3gyi s LEU 449 Ca 0.59 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3gyi s LEU 449 Cb -0.35 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.54 3gyi s LEU 449 CO 0.35 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.45 3gyi n GLY 450 N 4.18 -2.07 0.00 -3.19 0.00 -0.27 -0.63 105.19 103.22 3gyi n GLY 450 Ca -0.24 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.63 3gyi n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gyi n GLY 451 N -0.13 1.94 2.42 -0.02 0.00 -0.87 -4.27 105.19 104.26 3gyi n GLY 451 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3gyi n GLY 451 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gyi s VAL 453 N -2.97 2.75 -0.13 0.00 1.01 -1.18 -3.84 120.40 116.03 3gyi s VAL 453 Ca 0.37 0.65 -0.35 0.00 0.00 0.00 0.00 61.98 62.64 3gyi s VAL 453 Cb 0.39 -3.41 -0.12 0.00 0.00 0.00 0.00 36.38 33.23 3gyi s VAL 453 CO -0.05 0.11 1.88 -0.11 0.00 0.00 0.00 175.10 176.94 3gyi n LEU 454 N 2.10 3.26 0.00 3.92 7.94 -0.05 -0.97 117.00 133.21 3gyi n LEU 454 Ca 0.05 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 3gyi n LEU 454 Cb 0.41 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.02 3gyi n LEU 454 CO 0.60 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.36 3gyi n GLY 455 N 4.49 1.42 0.37 -3.96 0.00 -0.44 -4.86 105.19 102.21 3gyi n GLY 455 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3gyi n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gyi n LYS 456 N -2.00 0.00 0.23 1.61 4.76 -0.15 -4.73 118.16 117.88 3gyi n LYS 456 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3gyi n LYS 456 Cb 0.00 -0.26 0.25 0.00 -1.84 0.00 0.00 35.03 33.18 3gyi n LYS 456 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gyi h ALA 457 N -1.18 0.99 -2.17 7.82 0.00 -1.45 -3.45 119.26 119.82 3gyi h ALA 457 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 54.47 3gyi h ALA 457 Cb 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 3gyi h ALA 457 CO 0.00 0.02 -0.59 0.95 0.00 0.00 0.00 179.25 179.63 3gyi s THR 458 N -3.28 0.69 0.11 0.00 -4.23 -1.21 -1.55 115.64 106.17 3gyi s THR 458 Ca 0.06 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3gyi s THR 458 Cb 0.06 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3gyi s THR 458 CO 0.65 0.00 0.15 -0.90 -0.54 0.00 0.00 174.62 173.98 3gyi n ASP 459 N -0.71 -0.17 0.00 3.99 5.75 0.20 -1.33 116.55 124.28 3gyi n ASP 459 Ca -0.01 -0.98 0.10 0.00 -0.01 0.00 0.00 54.79 53.89 3gyi n ASP 459 Cb 0.66 -0.11 0.61 0.00 -1.03 0.00 0.00 41.12 41.24 3gyi n ASP 459 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3gyi n ASP 460 N -3.11 0.00 -0.08 -1.12 8.00 -1.26 -2.51 116.55 116.46 3gyi n ASP 460 Ca 0.02 -1.08 0.05 0.00 0.71 0.00 0.00 54.79 54.49 3gyi n ASP 460 Cb 0.07 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.23 3gyi n ASP 460 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3gyi n TYR 461 N -0.87 0.00 -0.81 1.24 4.02 -1.26 -4.91 117.16 114.57 3gyi n TYR 461 Ca 0.15 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 3gyi n TYR 461 Cb 0.07 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 3gyi n TYR 461 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gyi n GLY 462 N -0.86 0.60 3.67 2.72 0.00 -1.05 -4.78 105.19 105.50 3gyi n GLY 462 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3gyi n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gyi s ARG 463 N -0.19 4.25 0.12 1.61 0.52 -1.26 -0.71 118.95 123.29 3gyi s ARG 463 Ca 0.00 1.89 -0.31 0.00 -0.52 0.00 0.00 55.73 56.79 3gyi s ARG 463 Cb 0.00 -3.71 -0.09 0.00 0.52 0.00 0.00 34.95 31.67 3gyi s ARG 463 CO 0.00 -0.66 1.55 0.08 0.02 0.00 0.00 175.30 176.29 3gyi s VAL 464 N 3.04 2.92 0.30 3.52 1.01 -0.14 -0.63 120.40 130.43 3gyi s VAL 464 Ca 0.62 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 3gyi s VAL 464 Cb -0.28 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3gyi s VAL 464 CO 0.23 0.03 1.42 0.00 0.00 0.00 0.00 175.10 176.78 3gyi s ALA 465 N 1.63 3.59 0.00 5.51 0.00 -0.59 -2.46 121.76 129.43 3gyi s ALA 465 Ca 0.70 1.38 0.00 0.00 0.00 0.00 0.00 51.96 54.04 3gyi s ALA 465 Cb -0.41 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.16 3gyi s ALA 465 CO 0.31 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3gyi n GLY 466 N 1.43 0.67 3.03 0.00 0.00 -1.26 -4.40 105.19 104.67 3gyi n GLY 466 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3gyi n GLY 466 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gyi s TYR 467 N -2.24 0.48 -0.06 1.61 1.51 -1.03 -4.91 117.35 112.71 3gyi s TYR 467 Ca 0.00 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.36 3gyi s TYR 467 Cb 0.00 -0.31 -0.05 0.00 -0.11 0.00 0.00 41.96 41.49 3gyi s TYR 467 CO 0.00 -0.16 0.31 0.15 -1.11 0.00 0.00 175.55 174.74 3gyi s LYS 468 N -1.81 3.81 -1.81 -0.62 3.01 -1.26 -4.54 119.74 116.52 3gyi s LYS 468 Ca -0.10 0.20 0.00 0.00 -1.01 0.00 0.00 55.97 55.06 3gyi s LYS 468 Cb -0.08 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.50 3gyi s LYS 468 CO -0.01 0.66 0.00 0.09 0.51 0.00 0.00 175.35 176.60 3gyi n ASN 469 N 2.10 -5.48 -4.00 2.83 5.03 -1.26 -4.95 115.26 109.53 3gyi n ASN 469 Ca -0.16 0.18 -0.29 0.00 0.87 0.00 0.00 54.58 55.18 3gyi n ASN 469 Cb 0.53 -4.58 -0.17 0.00 -1.02 0.00 0.00 39.78 34.55 3gyi n ASN 469 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3gyi s LEU 470 N -5.12 1.57 0.03 3.41 2.96 -1.26 -1.43 118.68 118.84 3gyi s LEU 470 Ca 0.00 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3gyi s LEU 470 Cb 0.00 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3gyi s LEU 470 CO 0.00 -0.06 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.56 3gyi s TYR 471 N 1.45 0.87 -0.04 5.38 1.51 -0.12 -0.96 117.35 125.43 3gyi s TYR 471 Ca 0.03 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 3gyi s TYR 471 Cb -0.13 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 3gyi s TYR 471 CO -0.09 -0.01 -0.17 0.08 -1.11 0.00 0.00 175.55 174.25 3gyi s VAL 472 N -0.78 2.81 0.00 0.71 1.01 0.11 -0.17 120.40 124.10 3gyi s VAL 472 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3gyi s VAL 472 Cb -0.07 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3gyi s VAL 472 CO 0.01 0.59 0.21 0.35 0.00 0.00 0.00 175.10 176.25 3gyi n THR 473 N 2.36 0.00 -3.09 3.92 -2.24 -0.20 -4.53 114.28 110.50 3gyi n THR 473 Ca -0.17 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3gyi n THR 473 Cb 0.52 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3gyi n THR 473 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gyi n ASP 474 N -0.28 1.55 0.18 3.42 3.85 -1.26 -4.25 116.55 119.76 3gyi n ASP 474 Ca 0.00 -0.09 0.12 0.00 -0.71 0.00 0.00 54.79 54.11 3gyi n ASP 474 Cb 0.05 0.00 0.64 0.00 -1.35 0.00 0.00 41.12 40.45 3gyi n ASP 474 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3gyi h GLY 475 N 0.00 0.00 1.34 6.12 0.00 -1.88 -1.28 103.07 107.36 3gyi h GLY 475 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3gyi h GLY 475 CO 0.00 0.00 0.25 1.76 0.00 0.00 0.00 176.54 178.55 3gyi h SER 476 N 0.00 0.06 0.86 0.19 0.02 -1.80 -0.61 113.55 112.27 3gyi h SER 476 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3gyi h SER 476 Cb 0.03 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3gyi h SER 476 CO 0.00 0.04 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.22 3gyi h LEU 477 N 0.07 0.00 -9.54 5.07 3.38 -1.33 -1.23 115.31 111.72 3gyi h LEU 477 Ca 0.16 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.61 3gyi h LEU 477 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3gyi h LEU 477 CO -0.01 0.43 0.37 -0.63 0.09 0.00 0.00 178.44 178.70 3gyi s ILE 478 N -3.55 4.51 -1.51 1.22 -1.09 -1.02 -0.87 121.20 118.90 3gyi s ILE 478 Ca 0.00 2.03 -0.11 0.00 -2.23 0.00 0.00 60.65 60.34 3gyi s ILE 478 Cb 0.11 -4.30 -0.00 0.00 -1.58 0.00 0.00 42.46 36.69 3gyi s ILE 478 CO 0.70 0.28 2.54 -0.81 -1.23 0.00 0.00 174.94 176.43 3gyi n PRO 479 N 2.98 3.39 0.00 2.79 -0.04 -1.26 -1.46 135.00 141.40 3gyi n PRO 479 Ca 0.03 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 3gyi n PRO 479 Cb 0.49 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 3gyi n PRO 479 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gyi n GLY 480 N 3.63 2.60 3.64 0.55 0.00 -1.22 -4.90 105.19 109.48 3gyi n GLY 480 Ca 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.55 3gyi n GLY 480 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gyi s SER 481 N -3.05 -0.72 0.00 1.61 0.15 -1.26 -2.08 113.70 108.35 3gyi s SER 481 Ca 0.00 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.94 3gyi s SER 481 Cb 0.00 1.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 3gyi s SER 481 CO 0.00 -0.22 0.09 1.33 1.20 0.00 0.00 173.24 175.64 3gyi n VAL 482 N 3.10 0.00 -0.90 4.45 0.24 -1.26 -5.00 118.33 118.96 3gyi n VAL 482 Ca -0.16 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3gyi n VAL 482 Cb 0.56 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 3gyi n VAL 482 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gyi n GLY 483 N 0.44 1.07 3.54 7.63 0.00 -1.26 -4.68 105.19 111.93 3gyi n GLY 483 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3gyi n GLY 483 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gyi s VAL 484 N -3.84 0.00 0.20 1.61 -7.23 -1.26 -4.61 120.40 105.26 3gyi s VAL 484 Ca 0.00 -1.48 -0.33 0.00 -1.81 0.00 0.00 61.98 58.36 3gyi s VAL 484 Cb 0.00 -2.27 -0.14 0.00 0.56 0.00 0.00 36.38 34.53 3gyi s VAL 484 CO 0.00 0.00 1.52 0.47 -0.31 0.00 0.00 175.10 176.78 3gyi n ASP 485 N -0.44 3.04 0.07 4.85 8.00 -1.26 -4.91 116.55 125.89 3gyi n ASP 485 Ca -0.01 1.11 0.12 0.00 0.71 0.00 0.00 54.79 56.72 3gyi n ASP 485 Cb 0.62 -1.44 0.20 0.00 -0.02 0.00 0.00 41.12 40.48 3gyi n ASP 485 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3gyi h PRO 486 N 5.30 0.00 -0.12 -0.24 0.13 -1.88 -3.40 132.00 131.78 3gyi h PRO 486 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3gyi h PRO 486 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3gyi h PRO 486 CO 0.84 0.00 -0.17 0.27 -0.23 0.00 0.00 178.00 178.71 3gyi h PHE 487 N 0.00 0.21 -0.66 1.56 -5.15 -1.90 -1.81 116.94 109.18 3gyi h PHE 487 Ca 0.00 -0.03 -0.06 0.00 -0.20 0.00 0.00 57.97 57.68 3gyi h PHE 487 Cb 0.75 -0.06 -0.03 0.00 0.22 0.00 0.00 35.95 36.84 3gyi h PHE 487 CO 0.00 0.37 0.16 0.28 -2.00 0.00 0.00 178.31 177.12 3gyi h VAL 488 N 0.19 1.25 -0.40 0.88 2.07 -1.81 -0.43 116.25 118.00 3gyi h VAL 488 Ca 0.04 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3gyi h VAL 488 Cb 0.42 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3gyi h VAL 488 CO 0.03 0.36 0.08 0.74 0.02 0.00 0.00 177.57 178.79 3gyi h THR 489 N 1.00 1.24 -0.53 2.57 2.02 -1.65 0.06 112.91 117.62 3gyi h THR 489 Ca 0.21 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.59 3gyi h THR 489 Cb 0.35 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3gyi h THR 489 CO 0.00 0.29 0.28 0.40 0.37 0.00 0.00 175.52 176.86 3gyi h ILE 490 N 0.51 0.97 -0.17 3.11 2.04 -1.10 0.39 117.51 123.26 3gyi h ILE 490 Ca 0.12 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3gyi h ILE 490 Cb 0.35 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3gyi h ILE 490 CO 0.01 0.10 0.07 0.74 0.00 0.00 0.00 178.15 179.06 3gyi h THR 491 N 0.53 1.16 -0.55 -0.27 2.02 -0.82 -0.98 112.91 114.00 3gyi h THR 491 Ca 0.23 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 3gyi h THR 491 Cb 0.12 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3gyi h THR 491 CO -0.15 0.15 -0.02 0.00 0.37 0.00 0.00 175.52 175.87 3gyi h ALA 492 N 0.91 0.75 -0.67 6.16 0.00 -0.76 -0.51 119.26 125.14 3gyi h ALA 492 Ca 0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3gyi h ALA 492 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3gyi h ALA 492 CO -0.00 0.59 0.15 1.25 0.00 0.00 0.00 179.25 181.23 3gyi h LEU 493 N 0.87 1.01 -1.04 0.00 5.85 -0.87 -1.57 115.31 119.55 3gyi h LEU 493 Ca 0.15 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3gyi h LEU 493 Cb 0.56 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3gyi h LEU 493 CO 0.03 0.98 -0.04 0.00 -0.34 0.00 0.00 178.44 179.07 3gyi h ALA 494 N 1.15 1.21 -0.12 1.25 0.00 -0.70 -0.12 119.26 121.92 3gyi h ALA 494 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gyi h ALA 494 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gyi h ALA 494 CO 0.00 0.52 0.07 0.93 0.00 0.00 0.00 179.25 180.77 3gyi h GLU 495 N 0.60 0.16 -0.30 0.00 4.39 -0.71 -0.85 114.58 117.87 3gyi h GLU 495 Ca 0.12 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.83 3gyi h GLU 495 Cb 0.44 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 3gyi h GLU 495 CO 0.02 0.14 0.13 -0.09 -1.16 0.00 0.00 179.01 178.05 3gyi h ARG 496 N 0.13 0.26 0.05 2.33 2.43 -0.80 -2.48 114.38 116.31 3gyi h ARG 496 Ca 0.04 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3gyi h ARG 496 Cb 0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3gyi h ARG 496 CO -0.01 0.18 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.69 3gyi h ASN 497 N 0.27 -0.06 0.13 -3.80 2.35 -0.85 -2.72 115.58 110.90 3gyi h ASN 497 Ca 0.13 -0.33 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 3gyi h ASN 497 Cb 0.07 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3gyi h ASN 497 CO -0.11 0.30 -0.26 1.62 -1.65 0.00 0.00 177.43 177.33 3gyi h VAL 498 N -0.42 1.24 -0.35 2.81 3.04 -1.19 -0.50 116.25 120.88 3gyi h VAL 498 Ca -0.01 -1.11 -0.03 0.00 -1.01 0.00 0.00 66.70 64.54 3gyi h VAL 498 Cb 0.38 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.08 3gyi h VAL 498 CO 0.01 0.34 0.12 -0.08 -1.01 0.00 0.00 177.57 176.95 3gyi h GLU 499 N 0.20 0.54 -0.53 4.17 4.81 -1.36 -0.31 114.58 122.10 3gyi h GLU 499 Ca 0.03 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 3gyi h GLU 499 Cb 0.57 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3gyi h GLU 499 CO 0.04 0.55 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.68 3gyi h ARG 500 N 0.42 1.01 -0.37 1.92 9.65 -1.15 -1.91 114.38 123.95 3gyi h ARG 500 Ca 0.12 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.60 3gyi h ARG 500 Cb 0.23 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3gyi h ARG 500 CO -0.01 1.06 0.14 0.82 2.80 0.00 0.00 179.97 184.79 3gyi h ILE 501 N 0.89 1.20 -0.44 1.20 2.04 -0.92 0.16 117.51 121.64 3gyi h ILE 501 Ca 0.14 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3gyi h ILE 501 Cb 0.67 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3gyi h ILE 501 CO 0.05 0.22 0.21 0.40 0.00 0.00 0.00 178.15 179.02 3gyi h ILE 502 N 0.46 1.19 -0.69 -0.67 2.04 -0.96 0.13 117.51 119.01 3gyi h ILE 502 Ca 0.12 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3gyi h ILE 502 Cb 0.20 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3gyi h ILE 502 CO -0.01 0.20 0.19 0.11 0.00 0.00 0.00 178.15 178.65 3gyi h LYS 503 N 0.57 1.09 0.12 2.37 1.57 -1.03 -2.97 116.57 118.30 3gyi h LYS 503 Ca 0.15 -0.25 -0.36 0.00 -1.87 0.00 0.00 60.65 58.32 3gyi h LYS 503 Cb 0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3gyi h LYS 503 CO -0.02 0.96 -2.00 0.94 -0.57 0.00 0.00 179.45 178.76 3gyi n GLN 504 N -4.28 0.76 -0.04 3.15 -0.06 0.02 -4.70 117.38 112.22 3gyi n GLN 504 Ca 0.05 0.26 -0.00 0.00 -2.00 0.00 0.00 57.00 55.31 3gyi n GLN 504 Cb 0.24 -1.71 -0.11 0.00 -4.06 0.00 0.00 30.24 24.60 3gyi n GLN 504 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3gyi n ASP 505 N -3.47 1.71 -0.89 1.69 9.92 0.46 -5.08 116.55 120.88 3gyi n ASP 505 Ca -0.32 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.05 3gyi n ASP 505 Cb 1.05 1.20 0.09 0.00 -0.64 0.00 0.00 41.12 42.82 3gyi n ASP 505 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85