#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fiy s LYS 42 N 0.00 3.99 0.91 1.64 1.02 -1.26 -4.64 119.74 121.40 3fiy s LYS 42 Ca 0.00 2.14 -0.13 0.00 0.02 0.00 0.00 55.97 58.00 3fiy s LYS 42 Cb 0.00 -2.77 0.14 0.00 -0.52 0.00 0.00 37.83 34.69 3fiy s LYS 42 CO 0.00 -0.47 1.15 -0.06 -0.92 0.00 0.00 175.35 175.05 3fiy s PHE 43 N -1.27 2.44 0.65 3.18 0.40 0.52 -5.00 117.98 118.91 3fiy s PHE 43 Ca 0.56 0.81 -0.17 0.00 -0.60 0.00 0.00 56.93 57.53 3fiy s PHE 43 Cb -0.38 -3.43 -0.01 0.00 0.51 0.00 0.00 43.02 39.71 3fiy s PHE 43 CO 0.48 -2.38 1.20 -2.14 0.70 0.00 0.00 175.22 173.08 3fiy s PRO 44 N -5.34 2.67 0.22 0.24 0.02 -1.26 -4.93 135.00 126.62 3fiy s PRO 44 Ca 0.64 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 3fiy s PRO 44 Cb -0.14 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 3fiy s PRO 44 CO 0.53 -1.43 1.54 -2.00 -0.33 0.00 0.00 177.00 175.31 3fiy s GLU 45 N -3.61 4.21 0.00 5.54 2.12 -1.26 -1.75 118.70 123.96 3fiy s GLU 45 Ca 0.75 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.47 3fiy s GLU 45 Cb -0.29 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 30.99 3fiy s GLU 45 CO 0.38 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 3fiy n GLY 46 N 2.96 0.64 3.70 -1.50 0.00 -1.26 -5.04 105.19 104.69 3fiy n GLY 46 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3fiy n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fiy n PHE 47 N -2.00 2.47 -2.97 1.61 7.35 -0.72 -4.91 117.46 118.30 3fiy n PHE 47 Ca 0.00 0.34 -0.44 0.00 -0.76 0.00 0.00 57.45 56.59 3fiy n PHE 47 Cb 0.00 -2.53 -0.04 0.00 0.35 0.00 0.00 39.48 37.26 3fiy n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3fiy s LEU 48 N -0.06 4.85 -0.14 -2.13 1.43 -0.89 -4.99 118.68 116.75 3fiy s LEU 48 Ca 0.67 -1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 3fiy s LEU 48 Cb -0.58 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 3fiy s LEU 48 CO 0.48 -1.28 0.63 0.26 0.23 0.00 0.00 176.35 176.67 3fiy s TRP 49 N 3.40 3.47 0.00 0.29 0.52 -1.26 -1.20 118.94 124.16 3fiy s TRP 49 Ca 0.18 1.04 0.00 0.00 0.02 0.00 0.00 56.10 57.34 3fiy s TRP 49 Cb -0.19 -2.76 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 3fiy s TRP 49 CO 0.07 -0.03 0.00 0.41 0.02 0.00 0.00 176.95 177.43 3fiy n GLY 50 N 3.45 3.50 3.12 0.98 0.00 0.38 -0.60 105.19 116.02 3fiy n GLY 50 Ca -0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 3fiy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiy s ALA 51 N -1.68 0.01 0.14 4.61 0.00 -1.22 -1.60 121.76 122.02 3fiy s ALA 51 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.36 3fiy s ALA 51 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 3fiy s ALA 51 CO 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 175.76 175.30 3fiy s ALA 52 N -2.90 1.49 0.36 0.00 0.00 0.77 -1.44 121.76 120.05 3fiy s ALA 52 Ca -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 3fiy s ALA 52 Cb 0.01 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3fiy s ALA 52 CO -0.06 0.00 0.55 0.95 0.00 0.00 0.00 175.76 177.20 3fiy s THR 53 N -2.75 0.00 0.03 0.00 -4.23 -0.25 -2.21 115.64 106.23 3fiy s THR 53 Ca 0.13 -1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 59.15 3fiy s THR 53 Cb -0.01 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 3fiy s THR 53 CO 0.02 0.00 -0.01 -0.94 -0.54 0.00 0.00 174.62 173.15 3fiy s SER 54 N -3.23 0.28 0.10 3.99 1.04 -1.26 -3.91 113.70 110.72 3fiy s SER 54 Ca 0.28 -0.61 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 3fiy s SER 54 Cb -0.02 0.14 -0.11 0.00 0.10 0.00 0.00 66.02 66.14 3fiy s SER 54 CO 0.20 -0.40 1.62 0.77 0.98 0.00 0.00 173.24 176.41 3fiy h SER 55 N 4.16 -0.87 0.37 7.02 4.64 -1.91 -2.72 113.55 124.24 3fiy h SER 55 Ca -0.32 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 3fiy h SER 55 Cb 1.19 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 3fiy h SER 55 CO 0.48 -0.43 -0.21 0.22 -0.87 0.00 0.00 176.83 176.02 3fiy h TYR 56 N -0.60 0.00 0.00 4.77 3.20 -1.92 -0.94 116.97 121.47 3fiy h TYR 56 Ca 0.01 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3fiy h TYR 56 Cb 0.58 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 3fiy h TYR 56 CO -0.23 0.21 -0.13 1.96 -1.64 0.00 0.00 178.16 178.33 3fiy h GLN 57 N 0.00 0.00 0.00 1.82 4.20 -1.77 -3.40 115.11 115.96 3fiy h GLN 57 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fiy h GLN 57 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3fiy h GLN 57 CO 0.03 0.13 -0.55 0.44 -0.67 0.00 0.00 178.83 178.21 3fiy n ILE 58 N -3.18 0.00 -0.07 2.54 -5.35 -1.05 -1.92 119.36 110.33 3fiy n ILE 58 Ca 0.02 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.39 3fiy n ILE 58 Cb 0.49 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.33 3fiy n ILE 58 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3fiy h GLU 59 N 0.00 0.37 0.00 6.28 5.08 -1.39 -1.76 114.58 123.16 3fiy h GLU 59 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3fiy h GLU 59 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3fiy h GLU 59 CO 0.00 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 178.90 3fiy n GLY 60 N -0.53 0.24 4.35 -3.84 0.00 -1.20 -1.80 105.19 102.41 3fiy n GLY 60 Ca -0.04 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3fiy n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiy n ALA 61 N 5.06 -1.73 0.27 4.61 0.00 -1.11 -4.80 120.51 122.81 3fiy n ALA 61 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.23 3fiy n ALA 61 Cb 0.00 -1.52 0.75 0.00 0.00 0.00 0.00 19.45 18.67 3fiy n ALA 61 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3fiy h TRP 62 N -1.51 0.00 0.00 0.00 5.08 -1.84 -3.03 115.95 114.65 3fiy h TRP 62 Ca -0.64 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.28 3fiy h TRP 62 Cb 1.39 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.45 3fiy h TRP 62 CO 0.58 0.03 -0.59 0.27 -1.28 0.00 0.00 178.44 177.45 3fiy n ASN 63 N -4.15 1.48 -4.83 0.11 2.04 -1.26 -4.77 115.26 103.88 3fiy n ASN 63 Ca -0.03 -3.14 -0.22 0.00 -0.44 0.00 0.00 54.58 50.75 3fiy n ASN 63 Cb 0.12 -0.43 -0.04 0.00 -2.53 0.00 0.00 39.78 36.89 3fiy n ASN 63 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 3fiy s GLU 64 N -2.07 2.95 -1.49 -3.83 2.02 -1.15 -4.63 118.70 110.50 3fiy s GLU 64 Ca 0.34 -1.03 -0.14 0.00 0.02 0.00 0.00 54.97 54.16 3fiy s GLU 64 Cb 0.34 -2.58 0.10 0.00 0.10 0.00 0.00 34.13 32.09 3fiy s GLU 64 CO -0.08 0.41 0.73 -0.25 0.02 0.00 0.00 175.26 176.08 3fiy n ASP 65 N -1.15 -3.96 0.00 -0.19 8.00 -1.26 -1.52 116.55 116.47 3fiy n ASP 65 Ca -0.08 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3fiy n ASP 65 Cb 0.58 -3.23 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 3fiy n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fiy n GLY 66 N -1.39 0.46 3.76 0.44 0.00 -1.26 -4.50 105.19 102.70 3fiy n GLY 66 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3fiy n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fiy s LYS 67 N -0.45 4.15 0.60 1.61 2.20 -0.58 -4.71 119.74 122.57 3fiy s LYS 67 Ca 0.00 2.51 -0.05 0.00 -0.36 0.00 0.00 55.97 58.08 3fiy s LYS 67 Cb 0.00 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 3fiy s LYS 67 CO 0.00 -0.53 0.90 0.20 -0.36 0.00 0.00 175.35 175.55 3fiy s GLY 68 N 0.16 1.65 0.24 5.54 0.00 -0.24 -4.68 107.32 109.98 3fiy s GLY 68 Ca 0.58 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 3fiy s GLY 68 CO 0.54 -0.56 1.19 1.85 0.00 0.00 0.00 173.10 176.12 3fiy s GLU 69 N -4.99 4.51 0.42 2.90 2.12 -1.26 -4.75 118.70 117.65 3fiy s GLU 69 Ca 0.55 1.92 0.07 0.00 0.36 0.00 0.00 54.97 57.88 3fiy s GLU 69 Cb -0.11 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3fiy s GLU 69 CO 0.44 -0.02 0.33 -1.54 -0.54 0.00 0.00 175.26 173.92 3fiy s SER 70 N -0.25 4.86 0.57 -1.70 1.04 -1.26 -0.57 113.70 116.38 3fiy s SER 70 Ca 0.50 -0.86 0.33 0.00 0.48 0.00 0.00 55.95 56.40 3fiy s SER 70 Cb -0.34 -0.48 1.68 0.00 0.10 0.00 0.00 66.02 66.97 3fiy s SER 70 CO 0.40 -0.66 2.13 0.16 0.98 0.00 0.00 173.24 176.26 3fiy h ILE 71 N 1.11 0.29 0.00 -1.02 3.07 -1.05 -2.15 117.51 117.77 3fiy h ILE 71 Ca -0.41 -0.40 -0.19 0.00 1.55 0.00 0.00 64.86 65.41 3fiy h ILE 71 Cb 1.26 1.30 -0.03 0.00 -0.27 0.00 0.00 36.82 39.09 3fiy h ILE 71 CO 0.61 0.06 -0.98 -0.50 -1.05 0.00 0.00 178.15 176.28 3fiy h TRP 72 N 0.00 0.00 -0.41 0.16 4.06 -1.86 -0.05 115.95 117.84 3fiy h TRP 72 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3fiy h TRP 72 Cb 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 3fiy h TRP 72 CO 0.00 0.86 0.18 -0.44 -3.56 0.00 0.00 178.44 175.48 3fiy h ASP 73 N 0.00 0.56 -0.08 -3.49 3.32 -1.78 -1.54 116.42 113.41 3fiy h ASP 73 Ca -0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3fiy h ASP 73 Cb 1.70 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 3fiy h ASP 73 CO 0.10 0.56 -0.00 0.03 -1.72 0.00 0.00 179.24 178.21 3fiy h ARG 74 N 0.53 0.15 -0.82 3.56 2.47 -1.48 -3.21 114.38 115.58 3fiy h ARG 74 Ca 0.14 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.89 3fiy h ARG 74 Cb 0.16 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 3fiy h ARG 74 CO -0.01 0.42 0.48 0.35 0.56 0.00 0.00 179.97 181.77 3fiy h PHE 75 N -0.14 0.88 0.00 3.04 3.57 -0.89 -1.26 116.94 122.14 3fiy h PHE 75 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3fiy h PHE 75 Cb 0.36 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3fiy h PHE 75 CO 0.04 0.39 0.00 0.25 -2.23 0.00 0.00 178.31 176.76 3fiy n THR 76 N -4.71 0.19 1.09 4.41 -2.24 -0.59 -2.18 114.28 110.27 3fiy n THR 76 Ca 0.13 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 3fiy n THR 76 Cb 0.24 -0.68 0.15 0.00 -2.10 0.00 0.00 70.33 67.93 3fiy n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fiy n ARG 77 N -1.18 0.85 -2.78 -0.78 1.74 -0.48 -4.83 116.66 109.20 3fiy n ARG 77 Ca 0.13 -0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 56.16 3fiy n ARG 77 Cb 0.14 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3fiy n ARG 77 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fiy s ILE 78 N -2.58 4.64 0.27 0.55 1.01 -0.92 -5.01 121.20 119.16 3fiy s ILE 78 Ca 0.19 1.50 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 3fiy s ILE 78 Cb 0.18 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.25 3fiy s ILE 78 CO 0.59 -0.37 1.62 -2.16 0.00 0.00 0.00 174.94 174.62 3fiy s PRO 79 N 3.32 4.13 0.00 2.79 0.04 -1.26 -2.73 135.00 141.29 3fiy s PRO 79 Ca 0.39 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3fiy s PRO 79 Cb -0.13 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3fiy s PRO 79 CO 0.14 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.93 3fiy n GLY 80 N 2.60 2.34 0.08 0.56 0.00 -1.26 -4.93 105.19 104.58 3fiy n GLY 80 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 3fiy n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fiy h LYS 81 N 2.93 0.03 -6.08 1.61 1.79 -1.84 -3.45 116.57 111.56 3fiy h LYS 81 Ca 0.00 -0.05 -0.67 0.00 -2.18 0.00 0.00 60.65 57.75 3fiy h LYS 81 Cb 0.00 0.02 -0.31 0.00 -1.58 0.00 0.00 32.23 30.36 3fiy h LYS 81 CO 0.00 0.95 -0.88 0.42 -1.08 0.00 0.00 179.45 178.86 3fiy s ILE 82 N -2.89 1.96 0.32 1.86 -1.09 -1.26 -4.77 121.20 115.33 3fiy s ILE 82 Ca -0.00 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.10 3fiy s ILE 82 Cb 0.10 -1.65 -0.12 0.00 -1.58 0.00 0.00 42.46 39.21 3fiy s ILE 82 CO 0.82 0.55 1.36 0.29 -1.23 0.00 0.00 174.94 176.73 3fiy n LYS 83 N 2.82 2.22 -1.04 2.79 5.02 -0.55 -1.36 118.16 128.07 3fiy n LYS 83 Ca -0.17 0.78 -0.03 0.00 -2.02 0.00 0.00 58.31 56.88 3fiy n LYS 83 Cb 0.52 -2.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.11 3fiy n LYS 83 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3fiy n ASN 84 N 1.10 -5.70 -1.60 4.39 5.15 -1.26 -1.87 115.26 115.46 3fiy n ASN 84 Ca 0.06 0.06 -0.15 0.00 -0.60 0.00 0.00 54.58 53.95 3fiy n ASN 84 Cb 0.36 -3.55 -0.02 0.00 -0.53 0.00 0.00 39.78 36.03 3fiy n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fiy n GLY 85 N 0.79 0.26 3.79 8.20 0.00 -0.46 -4.98 105.19 112.78 3fiy n GLY 85 Ca -0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3fiy n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fiy s ASP 86 N -2.45 4.67 0.31 1.61 1.01 -0.78 -5.03 116.67 116.00 3fiy s ASP 86 Ca 0.00 1.61 -0.09 0.00 0.71 0.00 0.00 52.55 54.78 3fiy s ASP 86 Cb 0.00 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.56 3fiy s ASP 86 CO 0.00 -1.90 0.51 -0.94 0.21 0.00 0.00 175.17 173.06 3fiy s SER 87 N -3.64 0.34 -0.25 0.27 1.04 -1.26 -4.82 113.70 105.39 3fiy s SER 87 Ca 0.60 -1.19 0.12 0.00 0.48 0.00 0.00 55.95 55.95 3fiy s SER 87 Cb -0.16 0.65 0.74 0.00 0.10 0.00 0.00 66.02 67.36 3fiy s SER 87 CO 0.55 -1.28 1.68 0.61 0.98 0.00 0.00 173.24 175.79 3fiy n GLY 88 N -0.48 3.06 0.29 7.32 0.00 -1.26 -4.49 105.19 109.63 3fiy n GLY 88 Ca -0.01 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.19 3fiy n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fiy h ASP 89 N 3.33 0.44 0.00 1.61 5.19 -1.93 -3.34 116.42 121.72 3fiy h ASP 89 Ca 0.08 0.09 -0.08 0.00 -0.62 0.00 0.00 57.03 56.50 3fiy h ASP 89 Cb 1.99 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.51 3fiy h ASP 89 CO 0.53 0.19 -1.28 0.52 -3.12 0.00 0.00 179.24 176.08 3fiy n VAL 90 N -4.91 0.28 0.00 -1.35 0.31 -1.26 -2.75 118.33 108.64 3fiy n VAL 90 Ca 0.15 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3fiy n VAL 90 Cb 0.40 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 3fiy n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fiy n ALA 91 N -2.98 0.00 1.20 3.52 0.00 -1.26 -0.38 120.51 120.61 3fiy n ALA 91 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.46 3fiy n ALA 91 Cb 0.58 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.41 3fiy n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fiy n ASP 93 N 0.39 -4.35 0.03 0.00 2.03 0.49 -4.85 116.55 110.29 3fiy n ASP 93 Ca 0.17 -0.21 -0.02 0.00 0.52 0.00 0.00 54.79 55.25 3fiy n ASP 93 Cb 0.35 -3.60 0.25 0.00 -0.72 0.00 0.00 41.12 37.40 3fiy n ASP 93 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 3fiy h HIS 94 N -0.79 0.49 -1.00 -0.67 -0.00 -1.11 -0.24 115.15 111.82 3fiy h HIS 94 Ca -0.42 -0.09 0.14 0.00 -0.00 0.00 0.00 60.37 60.01 3fiy h HIS 94 Cb 1.29 -0.13 -0.09 0.00 -0.00 0.00 0.00 27.41 28.48 3fiy h HIS 94 CO 0.64 0.61 0.63 -0.92 -0.00 0.00 0.00 177.93 178.89 3fiy h TYR 95 N 0.41 1.12 0.00 5.26 3.20 -1.59 0.24 116.97 125.60 3fiy h TYR 95 Ca 0.07 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.70 3fiy h TYR 95 Cb 0.56 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3fiy h TYR 95 CO 0.02 0.38 -1.74 0.72 -1.64 0.00 0.00 178.16 175.90 3fiy n HIS 96 N -4.66 0.84 -0.78 -3.82 8.25 -1.08 -4.34 115.22 109.63 3fiy n HIS 96 Ca 0.20 0.30 0.08 0.00 -0.26 0.00 0.00 57.72 58.04 3fiy n HIS 96 Cb 0.43 -1.13 0.34 0.00 1.12 0.00 0.00 29.99 30.75 3fiy n HIS 96 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fiy n ARG 97 N -2.95 3.89 -0.21 -0.41 1.74 -0.12 -4.69 116.66 113.90 3fiy n ARG 97 Ca -0.17 -2.92 0.17 0.00 -0.77 0.00 0.00 57.85 54.16 3fiy n ARG 97 Cb 1.01 -1.97 0.51 0.00 -1.02 0.00 0.00 32.46 30.99 3fiy n ARG 97 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3fiy h TYR 98 N 3.33 0.51 -0.24 -1.55 -0.00 -0.74 -0.49 116.97 117.80 3fiy h TYR 98 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 58.73 58.65 3fiy h TYR 98 Cb 1.59 -0.16 -0.01 0.00 -0.00 0.00 0.00 36.73 38.14 3fiy h TYR 98 CO 0.78 0.16 -0.25 0.93 -0.00 0.00 0.00 178.16 179.78 3fiy h GLU 99 N 0.41 0.45 -0.08 0.10 5.08 -1.86 0.13 114.58 118.81 3fiy h GLU 99 Ca 0.42 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3fiy h GLU 99 Cb 1.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 3fiy h GLU 99 CO -0.15 0.67 0.05 1.96 -1.00 0.00 0.00 179.01 180.54 3fiy h GLN 100 N 0.40 0.11 -0.23 2.33 4.20 -1.46 -1.97 115.11 118.49 3fiy h GLN 100 Ca 0.06 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3fiy h GLN 100 Cb 0.65 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3fiy h GLN 100 CO 0.05 0.11 -0.09 -0.44 -0.67 0.00 0.00 178.83 177.79 3fiy h ASP 101 N 0.07 0.33 -0.43 1.46 3.32 -1.08 -2.05 116.42 118.04 3fiy h ASP 101 Ca 0.03 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3fiy h ASP 101 Cb 0.03 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3fiy h ASP 101 CO -0.01 0.46 0.01 -0.07 -1.72 0.00 0.00 179.24 177.92 3fiy h LEU 102 N 0.34 0.79 -0.74 1.55 3.38 -0.39 -1.30 115.31 118.93 3fiy h LEU 102 Ca 0.07 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3fiy h LEU 102 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fiy h LEU 102 CO 0.02 0.84 -0.46 -0.78 0.09 0.00 0.00 178.44 178.15 3fiy h ASP 103 N 0.77 0.41 -0.54 -0.43 1.82 -0.73 -1.70 116.42 116.02 3fiy h ASP 103 Ca 0.15 -0.19 -0.07 0.00 -0.39 0.00 0.00 57.03 56.52 3fiy h ASP 103 Cb 0.44 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 3fiy h ASP 103 CO 0.02 0.82 0.07 -0.07 -1.61 0.00 0.00 179.24 178.47 3fiy h LEU 104 N 0.31 0.90 -0.51 2.28 3.38 -0.90 0.12 115.31 120.89 3fiy h LEU 104 Ca 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3fiy h LEU 104 Cb 0.94 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3fiy h LEU 104 CO 0.08 0.92 0.25 0.24 0.09 0.00 0.00 178.44 180.02 3fiy h MET 105 N 0.89 0.74 -0.73 1.13 2.86 -0.95 -2.38 114.93 116.49 3fiy h MET 105 Ca 0.18 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3fiy h MET 105 Cb 0.42 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3fiy h MET 105 CO 0.01 0.61 0.36 -0.09 1.06 0.00 0.00 176.91 178.87 3fiy h ARG 106 N 0.68 1.04 -0.74 1.72 2.43 -0.78 -2.34 114.38 116.40 3fiy h ARG 106 Ca 0.18 -0.15 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3fiy h ARG 106 Cb 0.12 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3fiy h ARG 106 CO -0.02 0.81 0.49 1.96 -1.51 0.00 0.00 179.97 181.69 3fiy h GLN 107 N 1.02 0.66 0.00 0.20 4.20 -0.32 -1.38 115.11 119.49 3fiy h GLN 107 Ca 0.25 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3fiy h GLN 107 Cb 0.10 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3fiy h GLN 107 CO -0.03 0.44 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.28 3fiy h LEU 108 N 0.68 0.00 0.00 1.46 3.38 -0.96 -3.48 115.31 116.40 3fiy h LEU 108 Ca 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3fiy h LEU 108 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fiy h LEU 108 CO -0.12 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.04 3fiy n GLY 109 N 1.26 0.41 3.68 0.83 0.00 -0.52 -4.48 105.19 106.37 3fiy n GLY 109 Ca 0.04 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 3fiy n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fiy n LEU 110 N 0.00 3.21 0.09 0.99 4.77 -1.08 -4.88 117.00 120.10 3fiy n LEU 110 Ca 0.00 1.17 0.10 0.00 -0.03 0.00 0.00 56.01 57.25 3fiy n LEU 110 Cb 0.19 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 39.83 3fiy n LEU 110 CO 0.00 -0.54 -0.03 0.29 -1.33 0.00 0.00 177.39 175.77 3fiy n LYS 111 N 1.34 0.61 -3.57 3.23 4.76 0.23 -4.65 118.16 120.10 3fiy n LYS 111 Ca 0.09 0.13 -0.12 0.00 -2.87 0.00 0.00 58.31 55.54 3fiy n LYS 111 Cb 0.33 -1.82 -0.04 0.00 -1.84 0.00 0.00 35.03 31.66 3fiy n LYS 111 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3fiy s THR 112 N -3.31 0.04 -0.03 -0.18 -1.32 -0.99 -0.98 115.64 108.87 3fiy s THR 112 Ca -0.01 -0.35 -0.00 0.00 -1.21 0.00 0.00 61.69 60.12 3fiy s THR 112 Cb 0.09 -1.06 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 3fiy s THR 112 CO 0.80 -0.19 0.02 -0.47 -2.21 0.00 0.00 174.62 172.56 3fiy s TYR 113 N -3.29 0.16 -0.24 9.09 5.04 -0.70 -3.39 117.35 124.01 3fiy s TYR 113 Ca -0.01 0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.63 3fiy s TYR 113 Cb 0.00 -0.34 -0.03 0.00 0.35 0.00 0.00 41.96 41.94 3fiy s TYR 113 CO -0.08 -0.12 0.08 0.50 -1.34 0.00 0.00 175.55 174.59 3fiy s ARG 114 N 1.15 3.76 0.26 4.97 3.52 -0.52 -1.44 118.95 130.66 3fiy s ARG 114 Ca -0.08 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 3fiy s ARG 114 Cb -0.13 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 3fiy s ARG 114 CO -0.03 -0.08 0.08 -0.59 -0.81 0.00 0.00 175.30 173.87 3fiy s PHE 115 N 1.35 1.60 0.24 5.12 -0.71 -0.67 -1.09 117.98 123.82 3fiy s PHE 115 Ca 0.05 -1.11 0.12 0.00 -1.04 0.00 0.00 56.93 54.95 3fiy s PHE 115 Cb -0.15 -0.96 -0.05 0.00 -1.21 0.00 0.00 43.02 40.66 3fiy s PHE 115 CO 0.04 -0.24 -0.21 -1.54 -1.34 0.00 0.00 175.22 171.93 3fiy s SER 116 N -3.34 3.56 -0.19 1.98 1.04 -1.25 -0.50 113.70 115.00 3fiy s SER 116 Ca 0.36 -0.93 -0.09 0.00 0.48 0.00 0.00 55.95 55.77 3fiy s SER 116 Cb 0.08 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 3fiy s SER 116 CO 0.13 0.08 0.11 -0.63 0.98 0.00 0.00 173.24 173.91 3fiy s ILE 117 N -2.10 5.21 -0.69 -1.02 1.01 -0.14 -3.93 121.20 119.54 3fiy s ILE 117 Ca 0.26 0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.75 3fiy s ILE 117 Cb -0.06 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.07 3fiy s ILE 117 CO 0.13 0.45 1.29 0.00 0.00 0.00 0.00 174.94 176.82 3fiy s ALA 118 N 0.30 2.78 0.30 9.38 0.00 -1.26 -4.69 121.76 128.57 3fiy s ALA 118 Ca 0.07 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.88 3fiy s ALA 118 Cb -0.11 -4.21 0.74 0.00 0.00 0.00 0.00 23.12 19.53 3fiy s ALA 118 CO -0.01 -3.17 1.75 2.35 0.00 0.00 0.00 175.76 176.67 3fiy h TRP 119 N 10.20 0.93 0.00 0.00 2.91 -1.83 0.53 115.95 128.69 3fiy h TRP 119 Ca -0.27 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.78 3fiy h TRP 119 Cb 1.06 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 3fiy h TRP 119 CO 1.10 0.13 0.00 0.00 -1.03 0.00 0.00 178.44 178.65 3fiy h ALA 120 N 1.66 1.00 0.00 2.65 0.00 -1.78 0.79 119.26 123.59 3fiy h ALA 120 Ca 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.36 3fiy h ALA 120 Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3fiy h ALA 120 CO -0.43 0.00 -0.80 0.00 0.00 0.00 0.00 179.25 178.02 3fiy h ARG 121 N 0.00 0.00 0.07 0.00 3.08 -1.18 -0.60 114.38 115.75 3fiy h ARG 121 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3fiy h ARG 121 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3fiy h ARG 121 CO 0.00 0.41 -1.50 0.82 -1.07 0.00 0.00 179.97 178.64 3fiy h ILE 122 N 0.00 0.88 -2.90 2.04 1.08 -1.09 -3.34 117.51 114.18 3fiy h ILE 122 Ca -0.05 -2.29 -0.61 0.00 -0.39 0.00 0.00 64.86 61.52 3fiy h ILE 122 Cb 1.43 2.47 -0.40 0.00 -3.07 0.00 0.00 36.82 37.25 3fiy h ILE 122 CO 0.06 0.61 -0.75 -1.10 -0.69 0.00 0.00 178.15 176.27 3fiy s GLN 123 N -2.45 1.37 0.56 2.37 -0.21 0.13 -0.17 119.66 121.26 3fiy s GLN 123 Ca -0.24 -2.18 0.35 0.00 0.02 0.00 0.00 55.36 53.31 3fiy s GLN 123 Cb 0.05 -2.32 1.50 0.00 1.00 0.00 0.00 33.01 33.25 3fiy s GLN 123 CO 0.70 -1.21 2.04 -1.00 -2.12 0.00 0.00 175.29 173.69 3fiy h PRO 124 N 6.41 0.00 -4.25 2.91 0.13 -1.76 -3.40 132.00 132.04 3fiy h PRO 124 Ca 0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.90 3fiy h PRO 124 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.94 3fiy h PRO 124 CO 0.49 0.01 -0.27 0.16 -0.23 0.00 0.00 178.00 178.16 3fiy s ASP 125 N -5.65 0.89 0.00 1.44 3.84 -1.26 -4.36 116.67 111.58 3fiy s ASP 125 Ca 0.00 -1.48 0.04 0.00 -0.00 0.00 0.00 52.55 51.11 3fiy s ASP 125 Cb 0.10 0.62 0.16 0.00 -1.38 0.00 0.00 42.92 42.41 3fiy s ASP 125 CO 0.53 -1.21 1.09 -1.54 -0.00 0.00 0.00 175.17 174.04 3fiy n SER 126 N -1.25 0.00 0.24 2.11 3.41 -1.26 -1.73 113.62 115.14 3fiy n SER 126 Ca 0.02 0.46 0.16 0.00 -0.26 0.00 0.00 58.87 59.24 3fiy n SER 126 Cb 0.62 -0.47 0.60 0.00 -0.26 0.00 0.00 64.21 64.71 3fiy n SER 126 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3fiy h SER 127 N 0.00 0.00 0.00 4.04 4.64 -1.98 -3.46 113.55 116.79 3fiy h SER 127 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fiy h SER 127 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3fiy h SER 127 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3fiy n ARG 128 N -2.87 -0.76 -2.30 4.77 1.74 -0.70 -4.98 116.66 111.56 3fiy n ARG 128 Ca 0.01 0.19 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 3fiy n ARG 128 Cb 0.31 -3.96 -0.02 0.00 -1.02 0.00 0.00 32.46 27.77 3fiy n ARG 128 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fiy s GLN 129 N -0.94 4.07 0.04 5.56 -1.52 -1.26 -4.96 119.66 120.64 3fiy s GLN 129 Ca 0.00 1.84 -0.30 0.00 -1.95 0.00 0.00 55.36 54.94 3fiy s GLN 129 Cb 0.00 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 3fiy s GLN 129 CO 0.00 -0.31 1.08 0.42 -0.25 0.00 0.00 175.29 176.23 3fiy s ILE 130 N -1.41 4.43 -0.43 1.08 -1.09 -1.26 -4.48 121.20 118.03 3fiy s ILE 130 Ca 0.57 1.77 -0.22 0.00 -2.23 0.00 0.00 60.65 60.55 3fiy s ILE 130 Cb -0.31 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 3fiy s ILE 130 CO 0.38 0.16 0.70 0.21 -1.23 0.00 0.00 174.94 175.16 3fiy s ASN 131 N 0.91 6.37 0.40 3.58 2.47 0.77 -4.94 114.94 124.49 3fiy s ASN 131 Ca 0.54 -0.19 0.10 0.00 0.42 0.00 0.00 52.86 53.73 3fiy s ASN 131 Cb -0.25 -2.35 0.82 0.00 -1.45 0.00 0.00 41.25 38.02 3fiy s ASN 131 CO 0.29 -0.80 1.94 1.56 -3.72 0.00 0.00 177.10 176.37 3fiy h GLN 132 N 8.85 0.25 -0.55 0.43 1.08 -1.88 -2.42 115.11 120.89 3fiy h GLN 132 Ca -0.25 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 56.78 3fiy h GLN 132 Cb 1.09 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3fiy h GLN 132 CO 0.91 0.36 -0.11 0.00 -0.95 0.00 0.00 178.83 179.03 3fiy h ARG 133 N 0.24 1.04 -0.37 1.46 3.08 -1.90 -0.12 114.38 117.82 3fiy h ARG 133 Ca 0.05 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 3fiy h ARG 133 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3fiy h ARG 133 CO 0.02 1.08 0.07 0.78 -1.07 0.00 0.00 179.97 180.85 3fiy h GLY 134 N 0.92 0.65 1.40 0.04 0.00 -1.61 -2.47 103.07 102.00 3fiy h GLY 134 Ca 0.14 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3fiy h GLY 134 CO 0.05 0.39 -0.02 -2.00 0.00 0.00 0.00 176.54 174.96 3fiy h LEU 135 N 0.45 0.70 -1.34 3.11 5.85 -1.33 -2.75 115.31 119.99 3fiy h LEU 135 Ca 0.11 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3fiy h LEU 135 Cb 0.33 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3fiy h LEU 135 CO 0.00 0.78 0.20 -0.78 -0.34 0.00 0.00 178.44 178.31 3fiy h ASP 136 N 0.68 0.59 0.09 1.25 3.58 -0.74 -1.92 116.42 119.95 3fiy h ASP 136 Ca 0.13 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3fiy h ASP 136 Cb 0.45 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3fiy h ASP 136 CO 0.02 0.52 -0.09 0.15 -2.88 0.00 0.00 179.24 176.96 3fiy h PHE 137 N 0.65 -0.23 -0.03 0.28 3.57 -1.14 -0.05 116.94 120.00 3fiy h PHE 137 Ca 0.16 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3fiy h PHE 137 Cb 0.10 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3fiy h PHE 137 CO 0.01 -0.14 -0.24 1.88 -2.23 0.00 0.00 178.31 177.59 3fiy h TYR 138 N -0.20 0.06 -0.27 0.41 0.05 -1.52 0.64 116.97 116.14 3fiy h TYR 138 Ca 0.01 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3fiy h TYR 138 Cb 0.19 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3fiy h TYR 138 CO -0.11 0.29 0.04 -0.09 -1.05 0.00 0.00 178.16 177.25 3fiy h ARG 139 N 0.05 0.45 -0.73 4.88 2.43 -0.84 -0.80 114.38 119.83 3fiy h ARG 139 Ca 0.01 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 3fiy h ARG 139 Cb 0.46 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3fiy h ARG 139 CO 0.03 0.56 0.19 0.00 -1.51 0.00 0.00 179.97 179.25 3fiy h ARG 140 N 0.26 1.15 0.08 0.20 3.08 -0.37 -0.66 114.38 118.13 3fiy h ARG 140 Ca 0.08 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3fiy h ARG 140 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3fiy h ARG 140 CO 0.01 1.00 -0.04 1.25 -1.07 0.00 0.00 179.97 181.12 3fiy h LEU 141 N 1.09 -0.09 -0.76 3.04 5.85 -0.73 -0.69 115.31 123.03 3fiy h LEU 141 Ca 0.23 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3fiy h LEU 141 Cb 0.35 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3fiy h LEU 141 CO -0.00 -0.01 0.47 0.58 -0.34 0.00 0.00 178.44 179.15 3fiy h VAL 142 N -0.17 1.21 -0.67 1.05 2.07 -0.99 -0.60 116.25 118.15 3fiy h VAL 142 Ca -0.01 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 3fiy h VAL 142 Cb 0.14 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3fiy h VAL 142 CO 0.02 0.21 0.27 -0.33 0.02 0.00 0.00 177.57 177.76 3fiy h GLU 143 N 1.03 0.99 -0.46 1.57 5.08 -0.98 -1.88 114.58 119.93 3fiy h GLU 143 Ca 0.27 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3fiy h GLU 143 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 3fiy h GLU 143 CO -0.05 0.80 -0.06 0.78 -1.00 0.00 0.00 179.01 179.48 3fiy h GLY 144 N 1.05 0.86 0.84 -3.84 0.00 -0.28 -1.15 103.07 100.55 3fiy h GLY 144 Ca 0.23 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3fiy h GLY 144 CO -0.02 0.57 0.04 1.41 0.00 0.00 0.00 176.54 178.54 3fiy h LEU 145 N 0.73 0.26 -1.09 3.11 3.38 -0.62 -2.84 115.31 118.24 3fiy h LEU 145 Ca 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3fiy h LEU 145 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3fiy h LEU 145 CO 0.03 0.43 0.11 0.45 0.09 0.00 0.00 178.44 179.55 3fiy h HIS 146 N 0.08 0.77 0.00 1.13 3.86 -1.22 0.82 115.15 120.59 3fiy h HIS 146 Ca 0.05 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3fiy h HIS 146 Cb 0.28 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 3fiy h HIS 146 CO 0.01 0.66 -0.04 -0.22 0.86 0.00 0.00 177.93 179.21 3fiy h LYS 147 N 0.73 0.00 -0.40 2.45 1.63 -1.05 -1.13 116.57 118.81 3fiy h LYS 147 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3fiy h LYS 147 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3fiy h LYS 147 CO -0.00 0.04 0.00 0.54 -3.45 0.00 0.00 179.45 176.58 3fiy n ARG 148 N -3.79 3.20 -3.72 1.90 1.74 -0.75 -4.97 116.66 110.27 3fiy n ARG 148 Ca -0.03 -2.61 -0.25 0.00 -0.77 0.00 0.00 57.85 54.19 3fiy n ARG 148 Cb 0.13 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 29.93 3fiy n ARG 148 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fiy n ASP 149 N 0.28 -4.34 -4.29 0.55 8.00 -0.43 -4.96 116.55 111.37 3fiy n ASP 149 Ca 0.20 -0.69 -0.34 0.00 0.71 0.00 0.00 54.79 54.67 3fiy n ASP 149 Cb 0.75 -4.44 -0.15 0.00 -0.02 0.00 0.00 41.12 37.27 3fiy n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fiy s ILE 150 N -3.38 2.97 -0.10 0.53 1.01 0.21 -4.80 121.20 117.64 3fiy s ILE 150 Ca 0.44 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 3fiy s ILE 150 Cb -0.21 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3fiy s ILE 150 CO 0.78 0.48 1.14 -0.76 0.00 0.00 0.00 174.94 176.58 3fiy s LEU 151 N 1.06 4.24 0.20 2.97 1.43 -0.16 -3.75 118.68 124.68 3fiy s LEU 151 Ca -0.00 1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 3fiy s LEU 151 Cb -0.15 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.44 3fiy s LEU 151 CO -0.02 -0.58 1.01 -2.84 0.23 0.00 0.00 176.35 174.16 3fiy s PRO 152 N 2.41 4.72 -0.15 1.29 0.02 -1.26 -1.73 135.00 140.31 3fiy s PRO 152 Ca 0.52 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3fiy s PRO 152 Cb -0.21 -3.28 0.03 0.00 0.02 0.00 0.00 34.50 31.05 3fiy s PRO 152 CO 0.18 0.28 -0.11 1.41 -0.33 0.00 0.00 177.00 178.44 3fiy s MET 153 N -0.77 1.93 -0.13 5.54 1.75 -0.52 -3.23 119.30 123.87 3fiy s MET 153 Ca 0.45 -0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 54.37 3fiy s MET 153 Cb -0.27 -1.99 -0.02 0.00 2.84 0.00 0.00 34.83 35.39 3fiy s MET 153 CO 0.34 -0.30 -0.09 0.00 -0.65 0.00 0.00 175.02 174.32 3fiy s ALA 154 N 1.56 2.78 -0.27 4.11 0.00 -0.37 -1.67 121.76 127.90 3fiy s ALA 154 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 3fiy s ALA 154 Cb -0.14 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 3fiy s ALA 154 CO -0.09 0.27 0.25 0.99 0.00 0.00 0.00 175.76 177.18 3fiy s THR 155 N 0.23 5.27 0.13 0.00 2.01 0.34 -0.54 115.64 123.09 3fiy s THR 155 Ca -0.06 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 3fiy s THR 155 Cb -0.15 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 3fiy s THR 155 CO 0.04 0.23 1.40 -0.07 -0.69 0.00 0.00 174.62 175.53 3fiy h LEU 156 N 8.32 0.93 -7.43 4.42 3.38 -0.76 -0.35 115.31 123.82 3fiy h LEU 156 Ca -0.34 -0.52 -0.58 0.00 0.09 0.00 0.00 57.88 56.52 3fiy h LEU 156 Cb 1.18 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 41.27 3fiy h LEU 156 CO 0.60 1.31 -0.77 -0.47 0.09 0.00 0.00 178.44 179.20 3fiy s TYR 157 N -4.03 1.99 -0.47 1.13 5.04 -0.24 -4.44 117.35 116.34 3fiy s TYR 157 Ca -0.10 -1.63 0.05 0.00 -2.44 0.00 0.00 57.07 52.95 3fiy s TYR 157 Cb 0.10 -1.59 0.41 0.00 0.35 0.00 0.00 41.96 41.23 3fiy s TYR 157 CO 0.89 -0.77 1.12 1.58 -1.34 0.00 0.00 175.55 177.02 3fiy n HIS 158 N 4.78 3.47 0.00 4.97 -0.00 -1.26 -1.74 115.22 125.43 3fiy n HIS 158 Ca -0.07 -3.18 0.00 0.00 0.46 0.00 0.00 57.72 54.93 3fiy n HIS 158 Cb 0.44 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 3fiy n HIS 158 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 3fiy n TRP 159 N -0.46 0.00 -1.98 1.57 8.01 -1.26 -4.85 117.44 118.47 3fiy n TRP 159 Ca 0.39 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.16 3fiy n TRP 159 Cb 0.62 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.92 3fiy n TRP 159 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3fiy n ASP 160 N 0.00 6.17 -4.76 -0.99 5.68 -1.26 -4.78 116.55 116.61 3fiy n ASP 160 Ca 0.00 -2.99 -0.41 0.00 -0.50 0.00 0.00 54.79 50.89 3fiy n ASP 160 Cb 0.00 -1.49 -0.01 0.00 -1.14 0.00 0.00 41.12 38.48 3fiy n ASP 160 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3fiy s LEU 161 N -0.19 4.34 0.40 -2.12 2.96 -1.26 -4.42 118.68 118.39 3fiy s LEU 161 Ca 0.49 2.94 -0.26 0.00 -0.22 0.00 0.00 54.13 57.08 3fiy s LEU 161 Cb 0.14 -3.65 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 3fiy s LEU 161 CO -0.05 -0.84 1.33 -2.84 -1.32 0.00 0.00 176.35 172.63 3fiy s PRO 162 N -1.31 3.99 0.53 0.98 0.02 -1.26 -0.48 135.00 137.47 3fiy s PRO 162 Ca 0.57 2.22 0.18 0.00 0.02 0.00 0.00 61.00 63.99 3fiy s PRO 162 Cb -0.46 -2.80 1.33 0.00 0.02 0.00 0.00 34.50 32.60 3fiy s PRO 162 CO 0.55 -0.50 2.16 0.37 -0.33 0.00 0.00 177.00 179.25 3fiy h GLN 163 N 2.74 0.00 -0.10 5.54 5.75 -1.09 -1.80 115.11 126.16 3fiy h GLN 163 Ca -0.50 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 57.94 3fiy h GLN 163 Cb 1.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 3fiy h GLN 163 CO 0.63 0.00 -0.22 0.11 -2.65 0.00 0.00 178.83 176.71 3fiy h TRP 164 N 0.00 0.17 -0.17 3.99 5.08 -1.86 0.19 115.95 123.34 3fiy h TRP 164 Ca -0.00 -0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.75 3fiy h TRP 164 Cb 0.01 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 3fiy h TRP 164 CO 0.00 0.37 -0.66 0.28 -1.28 0.00 0.00 178.44 177.15 3fiy h VAL 165 N 0.15 1.31 -0.72 0.12 2.07 -1.70 -2.64 116.25 114.84 3fiy h VAL 165 Ca 0.03 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 3fiy h VAL 165 Cb 0.47 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3fiy h VAL 165 CO 0.03 0.60 0.27 -0.08 0.02 0.00 0.00 177.57 178.41 3fiy h GLU 166 N 0.48 1.07 0.00 1.57 4.57 -1.10 -0.22 114.58 120.96 3fiy h GLU 166 Ca -0.02 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3fiy h GLU 166 Cb 1.25 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3fiy h GLU 166 CO 0.13 0.88 -0.04 -0.44 -1.18 0.00 0.00 179.01 178.36 3fiy h ASP 167 N 1.04 0.00 -0.70 1.04 3.32 -0.40 -1.15 116.42 119.58 3fiy h ASP 167 Ca 0.24 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 3fiy h ASP 167 Cb 0.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.67 3fiy h ASP 167 CO -0.02 0.04 0.22 -0.62 -1.72 0.00 0.00 179.24 177.14 3fiy n GLU 168 N -3.73 3.92 0.00 3.56 1.02 -0.43 -4.90 120.64 120.08 3fiy n GLU 168 Ca -0.03 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 3fiy n GLU 168 Cb 0.13 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 3fiy n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fiy n GLY 169 N -0.04 2.38 7.00 0.62 0.00 -0.44 -4.80 105.19 109.91 3fiy n GLY 169 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3fiy n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fiy n GLY 170 N -0.59 0.81 0.00 -0.02 0.00 -0.23 -2.54 105.19 102.63 3fiy n GLY 170 Ca 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.36 3fiy n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fiy n TRP 171 N 0.00 0.00 0.20 1.61 7.02 -1.26 -1.76 117.44 123.25 3fiy n TRP 171 Ca 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.56 3fiy n TRP 171 Cb 0.00 -0.37 0.29 0.00 -2.42 0.00 0.00 31.31 28.81 3fiy n TRP 171 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3fiy h LEU 172 N 0.00 0.00 -9.31 -0.99 3.38 -1.84 -3.41 115.31 103.14 3fiy h LEU 172 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3fiy h LEU 172 Cb 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3fiy h LEU 172 CO 0.00 0.27 -0.19 -0.55 0.09 0.00 0.00 178.44 178.07 3fiy s SER 173 N -6.26 6.61 0.42 -0.43 0.15 -0.72 -4.95 113.70 108.53 3fiy s SER 173 Ca 0.02 0.72 0.09 0.00 0.70 0.00 0.00 55.95 57.49 3fiy s SER 173 Cb 0.09 -2.26 0.91 0.00 -1.71 0.00 0.00 66.02 63.05 3fiy s SER 173 CO 0.67 0.02 2.06 -0.09 1.20 0.00 0.00 173.24 177.10 3fiy h ARG 174 N 6.75 0.48 0.00 5.44 2.43 -1.85 -1.85 114.38 125.77 3fiy h ARG 174 Ca -0.41 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3fiy h ARG 174 Cb 1.17 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3fiy h ARG 174 CO 0.76 0.32 -0.01 0.93 -1.51 0.00 0.00 179.97 180.45 3fiy h GLU 175 N 0.49 0.00 0.00 0.20 4.39 -1.93 -1.82 114.58 115.92 3fiy h GLU 175 Ca 0.15 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3fiy h GLU 175 Cb 0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3fiy h GLU 175 CO -0.03 0.01 -0.11 0.77 -1.16 0.00 0.00 179.01 178.49 3fiy h SER 176 N 0.00 0.00 -0.19 1.42 0.02 -1.56 -1.27 113.55 111.96 3fiy h SER 176 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3fiy h SER 176 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3fiy h SER 176 CO 0.00 0.11 -0.26 0.00 -1.14 0.00 0.00 176.83 175.54 3fiy h ALA 177 N 1.89 0.93 -0.13 3.77 0.00 -1.50 -0.25 119.26 123.98 3fiy h ALA 177 Ca -0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 3fiy h ALA 177 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fiy h ALA 177 CO 0.01 0.61 -0.72 0.77 0.00 0.00 0.00 179.25 179.93 3fiy h SER 178 N 0.58 0.68 -0.63 0.00 0.02 -1.40 -1.77 113.55 111.03 3fiy h SER 178 Ca 0.08 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3fiy h SER 178 Cb 0.74 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3fiy h SER 178 CO 0.06 1.19 0.27 0.03 -1.14 0.00 0.00 176.83 177.24 3fiy h ARG 179 N 0.40 0.92 -0.63 3.45 2.47 -1.08 -0.96 114.38 118.95 3fiy h ARG 179 Ca -0.03 -0.16 -0.05 0.00 -1.26 0.00 0.00 59.98 58.48 3fiy h ARG 179 Cb 1.31 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 29.45 3fiy h ARG 179 CO 0.13 0.77 0.19 0.35 0.56 0.00 0.00 179.97 181.98 3fiy h PHE 180 N 0.87 0.98 -0.44 3.04 3.57 -0.94 -1.02 116.94 123.00 3fiy h PHE 180 Ca 0.21 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 3fiy h PHE 180 Cb 0.17 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3fiy h PHE 180 CO 0.01 0.79 -0.10 0.00 -2.23 0.00 0.00 178.31 176.77 3fiy h ALA 181 N 1.28 1.00 -0.46 2.41 0.00 -0.85 0.28 119.26 122.93 3fiy h ALA 181 Ca 0.21 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3fiy h ALA 181 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fiy h ALA 181 CO -0.01 0.60 -0.21 0.93 0.00 0.00 0.00 179.25 180.56 3fiy h GLU 182 N 0.71 0.96 -0.37 0.00 5.08 -0.74 0.63 114.58 120.84 3fiy h GLU 182 Ca 0.12 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3fiy h GLU 182 Cb 0.58 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3fiy h GLU 182 CO 0.04 1.08 0.15 -0.92 -1.00 0.00 0.00 179.01 178.36 3fiy h TYR 183 N 0.81 0.57 -0.43 4.33 3.20 -0.97 -1.79 116.97 122.69 3fiy h TYR 183 Ca 0.10 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fiy h TYR 183 Cb 0.79 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3fiy h TYR 183 CO 0.05 0.51 0.25 1.15 -1.64 0.00 0.00 178.16 178.49 3fiy h THR 184 N 0.46 1.14 -0.46 1.81 2.02 -0.75 -1.92 112.91 115.21 3fiy h THR 184 Ca 0.12 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.02 3fiy h THR 184 Cb 0.18 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3fiy h THR 184 CO -0.01 0.14 0.20 -0.74 0.37 0.00 0.00 175.52 175.49 3fiy h HIS 185 N 0.56 0.37 -0.26 3.16 -0.00 -0.65 0.44 115.15 118.77 3fiy h HIS 185 Ca 0.15 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 3fiy h HIS 185 Cb 0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3fiy h HIS 185 CO -0.03 0.17 0.15 0.00 -0.00 0.00 0.00 177.93 178.21 3fiy h ALA 186 N 1.27 0.32 -0.47 5.26 0.00 -1.02 0.44 119.26 125.05 3fiy h ALA 186 Ca 0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3fiy h ALA 186 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fiy h ALA 186 CO -0.17 -0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 178.65 3fiy h LEU 187 N 0.31 0.92 -0.68 0.00 -0.00 -0.98 -1.89 115.31 112.99 3fiy h LEU 187 Ca 0.10 -0.36 -0.14 0.00 -0.00 0.00 0.00 57.88 57.48 3fiy h LEU 187 Cb 0.01 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.40 3fiy h LEU 187 CO -0.06 1.07 -0.52 0.58 -0.00 0.00 0.00 178.44 179.51 3fiy h VAL 188 N 0.76 1.34 -0.11 1.22 2.07 -0.81 0.97 116.25 121.69 3fiy h VAL 188 Ca 0.12 -1.78 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 3fiy h VAL 188 Cb 0.67 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3fiy h VAL 188 CO 0.05 0.54 -0.39 0.00 0.02 0.00 0.00 177.57 177.79 3fiy h ALA 189 N 1.15 1.14 0.18 1.67 0.00 -0.82 0.42 119.26 123.01 3fiy h ALA 189 Ca 0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 3fiy h ALA 189 Cb 1.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3fiy h ALA 189 CO 0.09 0.57 -1.59 0.00 0.00 0.00 0.00 179.25 178.32 3fiy h ALA 190 N 1.40 0.09 0.00 0.00 0.00 -1.02 -3.41 119.26 116.32 3fiy h ALA 190 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3fiy h ALA 190 Cb 0.78 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fiy h ALA 190 CO 0.06 0.96 -0.01 1.28 0.00 0.00 0.00 179.25 181.54 3fiy n LEU 191 N -3.58 0.90 -0.41 0.00 4.77 0.31 -4.94 117.00 114.05 3fiy n LEU 191 Ca -0.19 -0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 54.78 3fiy n LEU 191 Cb 1.07 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 42.09 3fiy n LEU 191 CO 0.54 0.23 0.50 0.61 -1.33 0.00 0.00 177.39 177.94 3fiy n GLY 192 N -0.24 -2.45 0.54 -0.72 0.00 0.15 -0.88 105.19 101.59 3fiy n GLY 192 Ca 0.00 1.16 0.03 0.00 0.00 0.00 0.00 46.02 47.21 3fiy n GLY 192 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fiy n ASP 193 N -5.28 1.48 -0.00 1.61 5.75 -1.26 -2.92 116.55 115.92 3fiy n ASP 193 Ca 0.04 -2.09 0.04 0.00 -0.01 0.00 0.00 54.79 52.77 3fiy n ASP 193 Cb 0.29 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 3fiy n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fiy n GLN 194 N 0.11 3.55 -3.96 0.11 1.13 -0.06 -4.82 117.38 113.43 3fiy n GLN 194 Ca 0.07 -0.01 -0.31 0.00 -1.94 0.00 0.00 57.00 54.81 3fiy n GLN 194 Cb 0.29 -0.97 -0.15 0.00 0.11 0.00 0.00 30.24 29.52 3fiy n GLN 194 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3fiy s ILE 195 N -1.95 1.95 0.23 5.09 1.01 -0.88 -4.73 121.20 121.91 3fiy s ILE 195 Ca 0.03 -2.08 0.31 0.00 0.00 0.00 0.00 60.65 58.91 3fiy s ILE 195 Cb 0.07 -2.42 0.34 0.00 0.01 0.00 0.00 42.46 40.45 3fiy s ILE 195 CO 0.38 -0.58 2.01 1.55 0.00 0.00 0.00 174.94 178.29 3fiy h PRO 196 N 7.73 0.00 -4.01 2.79 0.13 -1.79 -3.42 132.00 133.42 3fiy h PRO 196 Ca -0.07 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.55 3fiy h PRO 196 Cb 1.02 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.77 3fiy h PRO 196 CO 0.50 0.08 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.05 3fiy s LEU 197 N -6.53 1.10 -0.01 1.56 1.43 -1.20 -0.46 118.68 114.57 3fiy s LEU 197 Ca -0.00 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3fiy s LEU 197 Cb 0.10 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 3fiy s LEU 197 CO 0.56 -0.17 -0.17 0.26 0.23 0.00 0.00 176.35 177.06 3fiy s TRP 198 N 1.78 2.59 -0.10 0.29 0.52 0.31 -1.24 118.94 123.09 3fiy s TRP 198 Ca 0.04 -0.24 0.03 0.00 0.02 0.00 0.00 56.10 55.95 3fiy s TRP 198 Cb -0.13 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.65 3fiy s TRP 198 CO -0.07 0.18 -0.19 0.08 0.02 0.00 0.00 176.95 176.96 3fiy s VAL 199 N -0.79 1.72 0.00 4.03 1.01 0.30 -0.53 120.40 126.15 3fiy s VAL 199 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3fiy s VAL 199 Cb -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3fiy s VAL 199 CO 0.02 0.48 0.36 0.35 0.00 0.00 0.00 175.10 176.31 3fiy n THR 200 N 3.83 0.00 -4.18 3.92 -2.24 -0.62 -0.46 114.28 114.53 3fiy n THR 200 Ca -0.20 0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 62.12 3fiy n THR 200 Cb 0.52 -1.79 -0.09 0.00 -2.10 0.00 0.00 70.33 66.88 3fiy n THR 200 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fiy s HIS 201 N -1.64 2.86 -0.22 4.78 3.76 -1.26 -1.08 115.29 122.49 3fiy s HIS 201 Ca 0.00 -0.10 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 3fiy s HIS 201 Cb 0.00 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.22 3fiy s HIS 201 CO 0.00 0.47 -0.05 1.21 -0.85 0.00 0.00 174.74 175.51 3fiy s ASN 202 N -2.39 4.21 -1.01 1.40 2.47 -0.71 -1.35 114.94 117.55 3fiy s ASN 202 Ca 0.24 -0.42 -0.16 0.00 0.42 0.00 0.00 52.86 52.95 3fiy s ASN 202 Cb -0.11 -1.72 0.01 0.00 -1.45 0.00 0.00 41.25 37.98 3fiy s ASN 202 CO 0.17 -0.02 0.68 -0.62 -3.72 0.00 0.00 177.10 173.59 3fiy n GLU 203 N 4.78 -1.02 0.28 0.43 1.02 -0.13 -4.79 120.64 121.21 3fiy n GLU 203 Ca -0.18 0.53 0.15 0.00 -0.02 0.00 0.00 57.16 57.64 3fiy n GLU 203 Cb 0.51 -3.07 0.91 0.00 -0.02 0.00 0.00 31.44 29.76 3fiy n GLU 203 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3fiy h PRO 204 N -1.34 0.00 -0.58 3.49 0.13 -1.88 -1.48 132.00 130.34 3fiy h PRO 204 Ca -0.61 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.46 3fiy h PRO 204 Cb 1.36 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 3fiy h PRO 204 CO 0.44 0.00 0.12 1.98 -0.23 0.00 0.00 178.00 180.30 3fiy h MET 205 N 0.00 0.91 -0.24 0.86 4.05 -1.94 -1.54 114.93 117.02 3fiy h MET 205 Ca 0.01 -0.20 -0.17 0.00 -0.28 0.00 0.00 59.70 59.06 3fiy h MET 205 Cb 0.07 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3fiy h MET 205 CO -0.00 0.83 -0.53 0.28 0.23 0.00 0.00 176.91 177.72 3fiy h VAL 206 N 0.87 1.30 -0.74 -5.77 2.07 -1.63 -0.78 116.25 111.56 3fiy h VAL 206 Ca 0.18 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.99 3fiy h VAL 206 Cb 0.34 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3fiy h VAL 206 CO 0.00 0.56 0.48 0.74 0.02 0.00 0.00 177.57 179.36 3fiy h THR 207 N 0.55 1.13 0.41 2.57 2.02 -1.26 0.23 112.91 118.56 3fiy h THR 207 Ca 0.02 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3fiy h THR 207 Cb 1.10 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3fiy h THR 207 CO 0.11 0.17 -0.20 0.58 0.37 0.00 0.00 175.52 176.55 3fiy h VAL 208 N 0.94 0.52 0.21 3.16 2.07 -1.09 -1.90 116.25 120.15 3fiy h VAL 208 Ca 0.29 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3fiy h VAL 208 Cb -0.02 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3fiy h VAL 208 CO -0.10 0.08 -0.10 -0.25 0.02 0.00 0.00 177.57 177.22 3fiy h TRP 209 N -0.86 -0.26 -0.07 1.57 2.91 -1.01 -1.42 115.95 116.82 3fiy h TRP 209 Ca -0.06 -0.01 -0.18 0.00 1.13 0.00 0.00 58.89 59.78 3fiy h TRP 209 Cb 0.55 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.28 3fiy h TRP 209 CO 0.01 0.13 -0.72 0.00 -1.03 0.00 0.00 178.44 176.83 3fiy h ALA 210 N -0.12 0.64 0.00 2.65 0.00 -0.72 0.14 119.26 121.85 3fiy h ALA 210 Ca -0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 3fiy h ALA 210 Cb 0.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3fiy h ALA 210 CO 0.05 0.77 -1.03 0.78 0.00 0.00 0.00 179.25 179.82 3fiy h GLY 211 N 1.36 0.00 0.00 0.00 0.00 -1.33 0.21 103.07 103.32 3fiy h GLY 211 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3fiy h GLY 211 CO 0.12 0.00 -0.69 -1.72 0.00 0.00 0.00 176.54 174.25 3fiy n TYR 212 N -2.85 0.00 -0.08 5.60 4.02 -0.58 -1.10 117.16 122.17 3fiy n TYR 212 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.72 3fiy n TYR 212 Cb 0.68 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.90 3fiy n TYR 212 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3fiy h HIS 213 N 0.00 0.00 0.00 -0.72 3.86 -0.83 0.14 115.15 117.60 3fiy h HIS 213 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fiy h HIS 213 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3fiy h HIS 213 CO 0.00 0.94 -1.73 -1.33 0.86 0.00 0.00 177.93 176.67 3fiy n MET 214 N -4.56 0.57 -1.37 2.45 2.81 -0.04 -3.96 117.12 113.03 3fiy n MET 214 Ca -0.18 -0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.45 3fiy n MET 214 Cb 0.48 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.45 3fiy n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fiy n GLY 215 N 1.36 1.28 0.13 3.03 0.00 -0.57 -4.84 105.19 105.58 3fiy n GLY 215 Ca -0.02 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 3fiy n GLY 215 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fiy h LEU 216 N 0.00 0.33 -9.49 0.99 6.46 -1.31 -3.42 115.31 108.88 3fiy h LEU 216 Ca -0.25 -0.27 -0.59 0.00 -0.12 0.00 0.00 57.88 56.66 3fiy h LEU 216 Cb 0.79 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.51 3fiy h LEU 216 CO 0.36 1.07 -0.66 -0.36 -0.62 0.00 0.00 178.44 178.23 3fiy s PHE 217 N -3.23 2.52 0.54 1.25 0.08 -0.44 -4.81 117.98 113.89 3fiy s PHE 217 Ca -0.04 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.44 3fiy s PHE 217 Cb 0.10 -1.30 -0.06 0.00 -0.57 0.00 0.00 43.02 41.19 3fiy s PHE 217 CO 0.84 0.57 1.20 0.00 -0.10 0.00 0.00 175.22 177.74 3fiy n ALA 218 N -0.86 1.01 1.90 5.36 0.00 -1.26 -0.28 120.51 126.38 3fiy n ALA 218 Ca -0.05 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3fiy n ALA 218 Cb 0.61 -2.25 0.12 0.00 0.00 0.00 0.00 19.45 17.93 3fiy n ALA 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fiy n PRO 219 N -0.79 1.08 -1.51 0.00 -0.04 -1.26 -4.47 135.00 128.01 3fiy n PRO 219 Ca 0.11 -0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 3fiy n PRO 219 Cb 0.44 -1.08 -0.01 0.00 -0.04 0.00 0.00 33.50 32.82 3fiy n PRO 219 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fiy n GLY 220 N 0.61 0.44 3.80 0.55 0.00 0.61 -5.04 105.19 106.16 3fiy n GLY 220 Ca 0.04 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 3fiy n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fiy s LEU 221 N -0.64 3.84 -0.49 0.99 1.02 -0.26 -4.54 118.68 118.59 3fiy s LEU 221 Ca 0.00 1.85 0.08 0.00 0.02 0.00 0.00 54.13 56.08 3fiy s LEU 221 Cb 0.00 -4.55 0.30 0.00 0.02 0.00 0.00 46.19 41.96 3fiy s LEU 221 CO 0.00 -0.70 0.75 0.29 0.02 0.00 0.00 176.35 176.71 3fiy n LYS 222 N -0.98 1.88 -3.45 1.70 4.76 -1.20 -1.51 118.16 119.35 3fiy n LYS 222 Ca 0.09 -4.04 -0.26 0.00 -2.87 0.00 0.00 58.31 51.23 3fiy n LYS 222 Cb 0.53 -1.87 -0.12 0.00 -1.84 0.00 0.00 35.03 31.74 3fiy n LYS 222 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3fiy s ASP 223 N -2.46 2.65 0.57 4.39 -1.08 0.47 -4.97 116.67 116.23 3fiy s ASP 223 Ca 0.41 -1.77 0.32 0.00 -0.52 0.00 0.00 52.55 50.99 3fiy s ASP 223 Cb 0.25 -0.14 1.45 0.00 -1.46 0.00 0.00 42.92 43.02 3fiy s ASP 223 CO -0.09 -0.33 1.81 -0.65 0.52 0.00 0.00 175.17 176.43 3fiy h PRO 224 N 7.41 0.00 0.00 4.34 0.11 -1.77 -0.50 132.00 141.59 3fiy h PRO 224 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3fiy h PRO 224 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3fiy h PRO 224 CO 0.29 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.33 3fiy n THR 225 N -3.93 0.78 0.91 -1.15 -2.24 -1.26 -2.47 114.28 104.91 3fiy n THR 225 Ca 0.17 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 3fiy n THR 225 Cb 1.00 -0.93 0.17 0.00 -2.10 0.00 0.00 70.33 68.47 3fiy n THR 225 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3fiy n LEU 226 N -1.41 0.59 -0.16 3.22 4.77 -0.20 -4.52 117.00 119.30 3fiy n LEU 226 Ca 0.05 -0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 3fiy n LEU 226 Cb 0.16 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3fiy n LEU 226 CO 0.13 0.11 0.75 1.23 -1.33 0.00 0.00 177.39 178.29 3fiy h GLY 227 N 4.90 0.31 0.95 -0.72 0.00 -1.65 -1.76 103.07 105.10 3fiy h GLY 227 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 3fiy h GLY 227 CO 0.00 -0.20 0.16 -1.33 0.00 0.00 0.00 176.54 175.17 3fiy h GLY 228 N -0.03 0.68 0.75 4.60 0.00 -1.84 0.31 103.07 107.55 3fiy h GLY 228 Ca 0.24 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.23 3fiy h GLY 228 CO -0.53 0.36 0.17 -0.09 0.00 0.00 0.00 176.54 176.45 3fiy h ARG 229 N 0.53 0.35 -0.31 4.80 2.43 -1.78 0.26 114.38 120.66 3fiy h ARG 229 Ca 0.14 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3fiy h ARG 229 Cb 0.21 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3fiy h ARG 229 CO -0.01 0.23 0.05 0.28 -1.51 0.00 0.00 179.97 179.01 3fiy h VAL 230 N 0.36 1.24 -0.54 0.20 2.07 -1.16 -2.39 116.25 116.02 3fiy h VAL 230 Ca 0.17 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3fiy h VAL 230 Cb 0.11 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3fiy h VAL 230 CO -0.14 0.27 0.27 0.00 0.02 0.00 0.00 177.57 177.99 3fiy h ALA 231 N 0.88 0.70 -0.78 1.67 0.00 -0.54 -0.21 119.26 120.97 3fiy h ALA 231 Ca 0.09 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fiy h ALA 231 Cb 0.35 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3fiy h ALA 231 CO 0.01 -0.09 0.37 1.25 0.00 0.00 0.00 179.25 180.79 3fiy h HIS 232 N 0.51 1.13 -0.03 0.00 6.17 -0.83 -0.87 115.15 121.23 3fiy h HIS 232 Ca 0.24 -0.06 -0.13 0.00 0.71 0.00 0.00 60.37 61.13 3fiy h HIS 232 Cb 0.17 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.74 3fiy h HIS 232 CO -0.11 0.83 -0.59 0.45 0.71 0.00 0.00 177.93 179.22 3fiy h HIS 233 N 1.11 0.15 -0.32 5.26 -0.00 -0.90 0.21 115.15 120.64 3fiy h HIS 233 Ca 0.27 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.52 3fiy h HIS 233 Cb 0.13 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 3fiy h HIS 233 CO 0.01 0.68 -0.05 -0.07 -0.00 0.00 0.00 177.93 178.50 3fiy h LEU 234 N 0.09 0.60 -0.54 2.43 3.38 -0.68 -0.02 115.31 120.57 3fiy h LEU 234 Ca -0.01 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3fiy h LEU 234 Cb 1.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3fiy h LEU 234 CO 0.08 0.81 0.10 -0.07 0.09 0.00 0.00 178.44 179.45 3fiy h LEU 235 N 0.39 0.85 -1.01 1.67 3.38 -0.92 -1.70 115.31 117.98 3fiy h LEU 235 Ca 0.09 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3fiy h LEU 235 Cb 0.53 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3fiy h LEU 235 CO 0.03 0.88 0.18 0.25 0.09 0.00 0.00 178.44 179.87 3fiy h LEU 236 N 0.78 0.83 -0.79 1.67 5.85 -0.48 -0.30 115.31 122.87 3fiy h LEU 236 Ca 0.17 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 3fiy h LEU 236 Cb 0.39 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3fiy h LEU 236 CO 0.01 0.78 -0.07 0.77 -0.34 0.00 0.00 178.44 179.59 3fiy h SER 237 N 0.87 0.82 -0.33 1.25 4.64 -0.67 -0.06 113.55 120.08 3fiy h SER 237 Ca 0.20 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3fiy h SER 237 Cb 0.26 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3fiy h SER 237 CO -0.01 0.93 0.13 -0.74 -0.87 0.00 0.00 176.83 176.27 3fiy h HIS 238 N 0.76 0.50 -0.53 4.77 -0.00 -0.69 -0.48 115.15 119.48 3fiy h HIS 238 Ca 0.13 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3fiy h HIS 238 Cb 0.57 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 3fiy h HIS 238 CO 0.03 0.47 0.32 0.78 -0.00 0.00 0.00 177.93 179.54 3fiy h GLY 239 N 0.38 0.77 1.76 5.26 0.00 -0.60 0.44 103.07 111.08 3fiy h GLY 239 Ca 0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3fiy h GLY 239 CO -0.01 0.31 -0.50 1.46 0.00 0.00 0.00 176.54 177.80 3fiy h GLN 240 N 0.71 0.26 -0.41 4.80 4.20 -0.92 -1.56 115.11 122.18 3fiy h GLN 240 Ca 0.19 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3fiy h GLN 240 Cb -0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3fiy h GLN 240 CO -0.04 0.70 -0.02 0.00 -0.67 0.00 0.00 178.83 178.80 3fiy h ALA 241 N 1.27 0.56 -0.82 3.87 0.00 -0.73 -1.63 119.26 121.77 3fiy h ALA 241 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3fiy h ALA 241 Cb 0.96 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3fiy h ALA 241 CO 0.08 0.37 0.40 1.25 0.00 0.00 0.00 179.25 181.34 3fiy h LEU 242 N 0.58 1.07 -0.87 0.00 5.85 -0.69 -0.53 115.31 120.72 3fiy h LEU 242 Ca 0.11 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3fiy h LEU 242 Cb 0.52 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3fiy h LEU 242 CO 0.03 0.90 0.23 1.56 -0.34 0.00 0.00 178.44 180.82 3fiy h GLN 243 N 1.17 1.06 -0.62 1.25 4.20 -1.01 0.77 115.11 121.94 3fiy h GLN 243 Ca 0.28 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3fiy h GLN 243 Cb 0.11 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3fiy h GLN 243 CO -0.04 0.90 0.12 0.00 -0.67 0.00 0.00 178.83 179.14 3fiy h ALA 244 N 1.22 1.03 -0.16 3.87 0.00 -0.60 -1.18 119.26 123.43 3fiy h ALA 244 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fiy h ALA 244 Cb 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fiy h ALA 244 CO -0.01 0.63 0.04 0.35 0.00 0.00 0.00 179.25 180.26 3fiy h PHE 245 N 0.95 0.27 -0.88 0.00 3.57 -0.43 -2.48 116.94 117.93 3fiy h PHE 245 Ca 0.19 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3fiy h PHE 245 Cb 0.39 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3fiy h PHE 245 CO 0.03 0.39 0.51 0.00 -2.23 0.00 0.00 178.31 177.01 3fiy h ARG 246 N 0.06 1.20 -0.70 1.11 2.47 -0.65 0.15 114.38 118.02 3fiy h ARG 246 Ca 0.05 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 3fiy h ARG 246 Cb 0.26 -0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 3fiy h ARG 246 CO 0.00 0.86 0.31 0.00 0.56 0.00 0.00 179.97 181.70 3fiy h ALA 247 N 1.34 1.22 0.00 0.04 0.00 -1.08 -2.47 119.26 118.32 3fiy h ALA 247 Ca 0.31 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3fiy h ALA 247 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3fiy h ALA 247 CO -0.06 0.58 -0.89 -0.07 0.00 0.00 0.00 179.25 178.81 3fiy h LEU 248 N 1.01 0.00 -3.85 0.00 3.38 -0.99 -3.48 115.31 111.36 3fiy h LEU 248 Ca 0.24 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 3fiy h LEU 248 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3fiy h LEU 248 CO -0.03 0.89 -1.02 -0.24 0.09 0.00 0.00 178.44 178.14 3fiy n SER 249 N -3.36 -4.36 -4.75 -0.43 2.88 0.48 -4.84 113.62 99.23 3fiy n SER 249 Ca 0.00 -1.23 -0.41 0.00 -1.33 0.00 0.00 58.87 55.90 3fiy n SER 249 Cb 0.88 -1.81 -0.02 0.00 -0.75 0.00 0.00 64.21 62.51 3fiy n SER 249 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fiy s PRO 250 N -6.96 4.17 0.09 -1.46 0.04 -1.26 -4.91 135.00 124.72 3fiy s PRO 250 Ca 0.42 2.48 -0.33 0.00 0.04 0.00 0.00 61.00 63.61 3fiy s PRO 250 Cb -0.23 -3.05 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 3fiy s PRO 250 CO 0.95 -0.54 1.74 0.00 0.04 0.00 0.00 177.00 179.20 3fiy n ALA 251 N 1.97 1.61 -1.31 8.56 0.00 -1.26 -2.45 120.51 127.63 3fiy n ALA 251 Ca 0.07 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 3fiy n ALA 251 Cb 0.39 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 3fiy n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fiy n GLY 252 N 3.93 1.11 3.72 0.00 0.00 -1.26 -4.59 105.19 108.11 3fiy n GLY 252 Ca 0.19 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3fiy n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fiy s SER 253 N -2.54 5.20 0.10 1.61 0.15 -1.02 -4.68 113.70 112.52 3fiy s SER 253 Ca 0.00 -0.14 0.05 0.00 0.70 0.00 0.00 55.95 56.56 3fiy s SER 253 Cb 0.00 -1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.99 3fiy s SER 253 CO 0.00 0.16 -0.13 -1.10 1.20 0.00 0.00 173.24 173.37 3fiy s GLN 254 N -2.46 0.92 -0.01 5.44 -0.21 0.39 -4.88 119.66 118.85 3fiy s GLN 254 Ca 0.27 -1.14 0.03 0.00 0.02 0.00 0.00 55.36 54.54 3fiy s GLN 254 Cb -0.11 -0.79 -0.00 0.00 1.00 0.00 0.00 33.01 33.10 3fiy s GLN 254 CO 0.20 0.15 -0.09 1.41 -2.12 0.00 0.00 175.29 174.84 3fiy s MET 255 N -2.45 0.81 0.00 2.91 -2.45 -1.26 -0.53 119.30 116.33 3fiy s MET 255 Ca 0.05 -0.31 0.00 0.00 -1.25 0.00 0.00 55.69 54.18 3fiy s MET 255 Cb -0.06 -0.78 0.00 0.00 1.25 0.00 0.00 34.83 35.24 3fiy s MET 255 CO 0.02 0.16 0.00 0.41 1.05 0.00 0.00 175.02 176.66 3fiy n GLY 256 N 3.06 4.81 3.08 2.11 0.00 0.31 -1.08 105.19 117.46 3fiy n GLY 256 Ca -0.16 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 3fiy n GLY 256 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fiy s ILE 257 N -1.32 0.07 -0.19 -0.61 2.07 -1.24 -1.59 121.20 118.39 3fiy s ILE 257 Ca 0.00 -0.62 -0.05 0.00 -1.41 0.00 0.00 60.65 58.58 3fiy s ILE 257 Cb 0.00 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 3fiy s ILE 257 CO 0.00 -0.34 -0.01 -0.89 -1.91 0.00 0.00 174.94 171.79 3fiy s THR 258 N -1.18 3.89 0.08 4.00 2.01 -0.46 -0.42 115.64 123.56 3fiy s THR 258 Ca -0.13 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 61.63 3fiy s THR 258 Cb -0.07 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 3fiy s THR 258 CO 0.01 0.44 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.37 3fiy s LEU 259 N 0.92 2.24 0.12 4.42 1.43 -0.22 -0.96 118.68 126.64 3fiy s LEU 259 Ca 0.01 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3fiy s LEU 259 Cb -0.14 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 3fiy s LEU 259 CO 0.02 0.18 0.14 0.54 0.23 0.00 0.00 176.35 177.45 3fiy s ASN 260 N -1.64 5.68 0.05 2.29 4.22 -1.26 -1.05 114.94 123.24 3fiy s ASN 260 Ca 0.11 -0.01 -0.04 0.00 -2.14 0.00 0.00 52.86 50.77 3fiy s ASN 260 Cb -0.10 -1.55 -0.02 0.00 1.28 0.00 0.00 41.25 40.86 3fiy s ASN 260 CO 0.04 0.12 0.07 -0.36 -2.04 0.00 0.00 177.10 174.93 3fiy s PHE 261 N -1.58 0.28 -0.27 1.54 0.40 -0.81 -4.92 117.98 112.62 3fiy s PHE 261 Ca 0.31 -0.66 -0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3fiy s PHE 261 Cb -0.11 -0.19 0.08 0.00 0.51 0.00 0.00 43.02 43.30 3fiy s PHE 261 CO 0.24 -0.38 0.04 -0.80 0.70 0.00 0.00 175.22 175.02 3fiy s ASN 262 N -2.38 3.84 0.13 1.36 0.01 -1.26 -4.53 114.94 112.10 3fiy s ASN 262 Ca -0.01 -1.41 -0.34 0.00 -0.71 0.00 0.00 52.86 50.38 3fiy s ASN 262 Cb 0.01 -0.97 -0.14 0.00 0.41 0.00 0.00 41.25 40.56 3fiy s ASN 262 CO -0.07 -0.34 1.57 0.41 -1.51 0.00 0.00 177.10 177.16 3fiy n THR 263 N 4.78 0.04 -3.66 1.60 -1.04 -1.26 -4.47 114.28 110.28 3fiy n THR 263 Ca -0.05 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 61.59 3fiy n THR 263 Cb 0.44 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.40 3fiy n THR 263 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3fiy s ILE 264 N 1.10 5.36 -0.05 12.58 -1.09 -1.26 -0.50 121.20 137.34 3fiy s ILE 264 Ca 0.81 0.36 0.02 0.00 -2.23 0.00 0.00 60.65 59.60 3fiy s ILE 264 Cb -0.71 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 3fiy s ILE 264 CO 0.40 0.45 -0.09 -0.31 -1.23 0.00 0.00 174.94 174.16 3fiy s TYR 265 N 0.18 1.11 0.47 3.97 1.51 -0.69 -4.98 117.35 118.92 3fiy s TYR 265 Ca 0.13 -0.36 -0.22 0.00 -1.01 0.00 0.00 57.07 55.61 3fiy s TYR 265 Cb -0.12 -0.85 -0.08 0.00 -0.11 0.00 0.00 41.96 40.80 3fiy s TYR 265 CO 0.02 -0.21 1.08 -1.25 -1.11 0.00 0.00 175.55 174.08 3fiy s PRO 266 N 0.65 3.83 0.15 -1.71 0.04 -1.26 -1.60 135.00 135.09 3fiy s PRO 266 Ca -0.11 1.52 0.23 0.00 0.04 0.00 0.00 61.00 62.67 3fiy s PRO 266 Cb -0.14 -2.26 0.89 0.00 0.04 0.00 0.00 34.50 33.03 3fiy s PRO 266 CO 0.02 -0.43 1.70 1.33 0.04 0.00 0.00 177.00 179.65 3fiy n VAL 267 N -0.68 0.70 -4.02 -0.36 0.24 -0.13 -4.81 118.33 109.27 3fiy n VAL 267 Ca 0.08 0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.34 3fiy n VAL 267 Cb 0.51 -0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 31.95 3fiy n VAL 267 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3fiy s SER 268 N -3.82 0.61 0.00 -1.34 1.04 -1.26 -5.04 113.70 103.90 3fiy s SER 268 Ca 0.08 -1.35 0.21 0.00 0.48 0.00 0.00 55.95 55.37 3fiy s SER 268 Cb 0.11 0.69 0.65 0.00 0.10 0.00 0.00 66.02 67.58 3fiy s SER 268 CO 0.43 -1.36 1.50 0.00 0.98 0.00 0.00 173.24 174.78 3fiy n ALA 269 N -0.54 2.49 -1.83 5.32 0.00 -1.26 -4.60 120.51 120.10 3fiy n ALA 269 Ca -0.01 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 3fiy n ALA 269 Cb 0.61 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 3fiy n ALA 269 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fiy s GLU 270 N -1.72 4.35 0.26 0.00 2.02 -1.26 -4.86 118.70 117.49 3fiy s GLU 270 Ca 0.33 2.20 -0.02 0.00 0.02 0.00 0.00 54.97 57.51 3fiy s GLU 270 Cb 0.18 -3.10 0.57 0.00 0.10 0.00 0.00 34.13 31.89 3fiy s GLU 270 CO 0.27 -0.24 1.66 -1.35 0.02 0.00 0.00 175.26 175.63 3fiy h PRO 271 N 4.04 0.22 -0.63 0.39 0.11 -1.99 -1.09 132.00 133.05 3fiy h PRO 271 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3fiy h PRO 271 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3fiy h PRO 271 CO 0.70 0.15 0.33 0.00 -0.21 0.00 0.00 178.00 178.96 3fiy h ALA 272 N 1.70 0.81 -0.39 -0.75 0.00 -1.98 -0.35 119.26 118.30 3fiy h ALA 272 Ca 0.48 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 3fiy h ALA 272 Cb 0.89 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3fiy h ALA 272 CO -0.60 0.35 -0.20 -0.44 0.00 0.00 0.00 179.25 178.36 3fiy h ASP 273 N 0.86 0.76 -0.59 0.00 3.32 -1.62 -1.11 116.42 118.05 3fiy h ASP 273 Ca 0.22 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3fiy h ASP 273 Cb 0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3fiy h ASP 273 CO -0.03 0.95 0.23 0.58 -1.72 0.00 0.00 179.24 179.25 3fiy h VAL 274 N 0.66 1.23 -0.45 -1.35 2.07 -0.83 -0.50 116.25 117.07 3fiy h VAL 274 Ca 0.10 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3fiy h VAL 274 Cb 0.70 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3fiy h VAL 274 CO 0.05 0.28 0.01 -0.08 0.02 0.00 0.00 177.57 177.85 3fiy h GLU 275 N 0.81 0.80 -0.89 1.57 4.57 -0.83 -1.74 114.58 118.86 3fiy h GLU 275 Ca 0.20 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3fiy h GLU 275 Cb 0.20 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 3fiy h GLU 275 CO -0.02 0.85 0.52 0.00 -1.18 0.00 0.00 179.01 179.19 3fiy h ALA 276 N 0.92 1.14 -0.67 2.92 0.00 -1.00 -1.56 119.26 121.01 3fiy h ALA 276 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3fiy h ALA 276 Cb 0.49 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3fiy h ALA 276 CO 0.02 0.61 0.13 0.00 0.00 0.00 0.00 179.25 180.01 3fiy h ALA 277 N 1.29 0.95 -0.48 0.00 0.00 -0.84 -0.55 119.26 119.62 3fiy h ALA 277 Ca 0.32 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3fiy h ALA 277 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3fiy h ALA 277 CO -0.06 0.66 -0.09 -0.09 0.00 0.00 0.00 179.25 179.67 3fiy h ARG 278 N 1.03 0.90 -0.59 0.00 2.43 -0.88 -0.67 114.38 116.60 3fiy h ARG 278 Ca 0.21 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3fiy h ARG 278 Cb 0.41 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3fiy h ARG 278 CO 0.01 0.98 0.12 0.00 -1.51 0.00 0.00 179.97 179.57 3fiy h ARG 279 N 0.75 0.97 -0.58 0.20 3.08 -1.13 -1.52 114.38 116.15 3fiy h ARG 279 Ca 0.12 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 3fiy h ARG 279 Cb 0.64 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3fiy h ARG 279 CO 0.04 0.90 0.04 1.98 -1.07 0.00 0.00 179.97 181.87 3fiy h MET 280 N 0.87 0.98 -0.11 0.04 4.05 -0.95 -2.48 114.93 117.33 3fiy h MET 280 Ca 0.18 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3fiy h MET 280 Cb 0.39 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 3fiy h MET 280 CO 0.01 0.93 0.06 1.25 0.23 0.00 0.00 176.91 179.39 3fiy h HIS 281 N 0.91 0.15 -0.64 1.39 -0.00 -0.83 0.30 115.15 116.43 3fiy h HIS 281 Ca 0.17 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.63 3fiy h HIS 281 Cb 0.47 -0.05 -0.07 0.00 -0.00 0.00 0.00 27.41 27.76 3fiy h HIS 281 CO 0.03 0.19 0.26 0.77 -0.00 0.00 0.00 177.93 179.18 3fiy h SER 282 N 0.07 0.28 0.08 3.26 0.02 -1.08 0.16 113.55 116.34 3fiy h SER 282 Ca 0.04 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3fiy h SER 282 Cb 0.09 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3fiy h SER 282 CO -0.01 0.16 -0.04 0.15 -1.14 0.00 0.00 176.83 175.96 3fiy h PHE 283 N 0.45 -0.09 -0.79 3.45 3.57 -1.29 -2.21 116.94 120.03 3fiy h PHE 283 Ca 0.32 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3fiy h PHE 283 Cb 0.38 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3fiy h PHE 283 CO -0.15 0.22 0.44 0.37 -2.23 0.00 0.00 178.31 176.96 3fiy h GLN 284 N -0.99 1.11 0.00 1.11 5.75 -0.40 -3.11 115.11 118.57 3fiy h GLN 284 Ca -0.01 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3fiy h GLN 284 Cb 0.36 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.69 3fiy h GLN 284 CO 0.02 0.82 -1.23 0.09 -2.65 0.00 0.00 178.83 175.88 3fiy n ASN 285 N -4.42 1.23 0.00 -0.69 3.02 0.54 -4.67 115.26 110.27 3fiy n ASN 285 Ca 0.08 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3fiy n ASN 285 Cb 0.09 1.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.64 3fiy n ASN 285 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fiy n GLU 286 N -1.71 1.73 -0.21 3.52 1.02 -0.85 -4.56 120.64 119.58 3fiy n GLU 286 Ca -0.00 -1.18 0.02 0.00 -0.02 0.00 0.00 57.16 55.98 3fiy n GLU 286 Cb 0.31 -0.99 0.13 0.00 -0.02 0.00 0.00 31.44 30.86 3fiy n GLU 286 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3fiy h LEU 287 N 0.00 0.07 0.07 -4.62 5.85 -1.43 -1.57 115.31 113.68 3fiy h LEU 287 Ca 0.00 0.11 -0.35 0.00 0.84 0.00 0.00 57.88 58.48 3fiy h LEU 287 Cb 0.35 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3fiy h LEU 287 CO 0.00 0.03 -2.03 0.49 -0.34 0.00 0.00 178.44 176.59 3fiy n PHE 288 N -5.10 0.94 -0.29 1.25 3.72 -1.26 -4.33 117.46 112.40 3fiy n PHE 288 Ca 0.10 0.23 -0.04 0.00 -0.05 0.00 0.00 57.45 57.69 3fiy n PHE 288 Cb 0.34 -1.14 0.07 0.00 -0.94 0.00 0.00 39.48 37.82 3fiy n PHE 288 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3fiy h LEU 289 N 0.04 0.89 0.13 4.37 3.38 -1.77 -1.90 115.31 120.45 3fiy h LEU 289 Ca -0.42 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3fiy h LEU 289 Cb 2.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 3fiy h LEU 289 CO 0.06 0.64 -0.14 -0.08 0.09 0.00 0.00 178.44 179.01 3fiy h GLU 290 N 1.05 -0.29 -0.23 1.13 4.57 -1.49 -0.29 114.58 119.03 3fiy h GLU 290 Ca 0.29 0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.39 3fiy h GLU 290 Cb -0.10 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3fiy h GLU 290 CO -0.07 -0.19 -0.31 -1.00 -1.18 0.00 0.00 179.01 176.26 3fiy h PRO 291 N -0.30 0.47 -0.63 0.92 0.13 -1.29 0.55 132.00 131.86 3fiy h PRO 291 Ca 0.01 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 3fiy h PRO 291 Cb 0.29 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 3fiy h PRO 291 CO -0.04 0.73 0.24 -0.07 -0.23 0.00 0.00 178.00 178.63 3fiy h LEU 292 N 0.41 0.87 0.05 1.56 3.38 -1.05 -1.14 115.31 119.40 3fiy h LEU 292 Ca 0.05 -0.18 -0.38 0.00 0.09 0.00 0.00 57.88 57.47 3fiy h LEU 292 Cb 0.75 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3fiy h LEU 292 CO 0.06 0.81 -2.27 -0.38 0.09 0.00 0.00 178.44 176.75 3fiy n ILE 293 N -4.43 1.62 0.97 1.22 2.08 -0.15 -4.29 119.36 116.39 3fiy n ILE 293 Ca 0.04 -0.60 0.10 0.00 0.56 0.00 0.00 62.75 62.85 3fiy n ILE 293 Cb 0.18 -1.56 -0.03 0.00 -0.75 0.00 0.00 39.64 37.47 3fiy n ILE 293 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3fiy n ARG 294 N -3.37 0.98 -1.92 0.38 5.12 0.19 -4.99 116.66 113.06 3fiy n ARG 294 Ca -0.40 -0.73 -0.13 0.00 -1.93 0.00 0.00 57.85 54.66 3fiy n ARG 294 Cb 1.01 -1.46 -0.02 0.00 -1.16 0.00 0.00 32.46 30.82 3fiy n ARG 294 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fiy n GLY 295 N 1.42 0.41 3.28 -0.13 0.00 -0.43 -4.95 105.19 104.78 3fiy n GLY 295 Ca 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3fiy n GLY 295 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fiy s GLN 296 N -4.06 0.78 0.09 1.61 -2.07 -1.25 -4.85 119.66 109.91 3fiy s GLN 296 Ca 0.00 -0.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.09 3fiy s GLN 296 Cb 0.00 0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 32.20 3fiy s GLN 296 CO 0.00 -0.24 0.55 0.71 -1.32 0.00 0.00 175.29 175.00 3fiy s TYR 297 N -1.84 3.73 0.82 9.60 2.02 -1.26 -1.77 117.35 128.65 3fiy s TYR 297 Ca -0.10 1.18 -0.12 0.00 -0.37 0.00 0.00 57.07 57.67 3fiy s TYR 297 Cb -0.03 -2.44 0.08 0.00 -0.40 0.00 0.00 41.96 39.18 3fiy s TYR 297 CO 0.02 0.54 1.12 0.54 -1.57 0.00 0.00 175.55 176.19 3fiy s ASN 298 N -1.32 4.32 0.34 2.29 2.20 -1.26 -4.85 114.94 116.66 3fiy s ASN 298 Ca 0.32 1.13 0.03 0.00 -0.94 0.00 0.00 52.86 53.40 3fiy s ASN 298 Cb -0.18 -1.80 0.62 0.00 -2.00 0.00 0.00 41.25 37.89 3fiy s ASN 298 CO 0.19 -2.06 1.96 1.56 -2.94 0.00 0.00 177.10 175.81 3fiy h GLN 299 N -1.15 0.74 -0.61 3.55 1.08 -1.98 -2.13 115.11 114.60 3fiy h GLN 299 Ca -0.48 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 56.62 3fiy h GLN 299 Cb 1.29 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 3fiy h GLN 299 CO 0.61 0.56 0.27 0.00 -0.95 0.00 0.00 178.83 179.32 3fiy h ALA 300 N 1.56 1.33 -0.14 3.87 0.00 -1.93 -0.52 119.26 123.43 3fiy h ALA 300 Ca 0.19 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3fiy h ALA 300 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3fiy h ALA 300 CO -0.03 0.51 -0.41 1.15 0.00 0.00 0.00 179.25 180.47 3fiy h THR 301 N 0.87 1.35 -0.06 0.00 2.02 -1.79 -2.09 112.91 113.21 3fiy h THR 301 Ca 0.21 -1.69 -0.07 0.00 0.77 0.00 0.00 66.41 65.62 3fiy h THR 301 Cb 0.13 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3fiy h THR 301 CO -0.02 0.51 -0.29 -0.07 0.37 0.00 0.00 175.52 176.01 3fiy h LEU 302 N 0.16 0.11 -0.17 2.58 3.38 -1.16 -0.71 115.31 119.50 3fiy h LEU 302 Ca -0.01 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 3fiy h LEU 302 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3fiy h LEU 302 CO 0.09 0.40 -0.95 0.24 0.09 0.00 0.00 178.44 178.32 3fiy h MET 303 N 0.10 0.40 -0.25 1.13 2.86 -1.09 -2.78 114.93 115.30 3fiy h MET 303 Ca 0.01 -0.44 -0.15 0.00 -2.06 0.00 0.00 59.70 57.07 3fiy h MET 303 Cb 0.58 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 3fiy h MET 303 CO 0.04 1.10 -0.47 0.00 1.06 0.00 0.00 176.91 178.65 3fiy h ALA 304 N 0.74 0.72 -2.73 6.32 0.00 -0.99 -3.36 119.26 119.97 3fiy h ALA 304 Ca -0.08 -0.48 -0.61 0.00 0.00 0.00 0.00 54.91 53.75 3fiy h ALA 304 Cb 1.58 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.87 3fiy h ALA 304 CO 0.16 0.67 -0.72 0.66 0.00 0.00 0.00 179.25 180.02 3fiy n TYR 305 N -4.00 1.85 0.24 0.00 4.02 -0.31 -4.98 117.16 113.97 3fiy n TYR 305 Ca -0.03 -3.96 0.18 0.00 -0.01 0.00 0.00 57.90 54.09 3fiy n TYR 305 Cb 0.56 -0.34 0.87 0.00 -0.02 0.00 0.00 39.34 40.42 3fiy n TYR 305 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3fiy h PRO 306 N 5.27 0.00 -0.29 -0.72 0.13 -1.64 -1.84 132.00 132.90 3fiy h PRO 306 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3fiy h PRO 306 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3fiy h PRO 306 CO 0.61 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 3fiy n ASN 307 N -3.49 2.14 -0.30 1.44 2.04 -1.26 -4.42 115.26 111.40 3fiy n ASN 307 Ca 0.01 -1.85 0.07 0.00 -0.44 0.00 0.00 54.58 52.37 3fiy n ASN 307 Cb 0.34 -0.19 0.23 0.00 -2.53 0.00 0.00 39.78 37.63 3fiy n ASN 307 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3fiy h LEU 308 N 2.63 0.59 -2.65 -4.53 5.85 -1.67 -1.95 115.31 113.57 3fiy h LEU 308 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fiy h LEU 308 Cb 0.59 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3fiy h LEU 308 CO 0.00 0.26 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.70 3fiy h PRO 309 N 0.67 0.00 0.00 5.25 0.11 -1.84 -1.81 132.00 134.39 3fiy h PRO 309 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3fiy h PRO 309 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3fiy h PRO 309 CO -0.35 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 178.38 3fiy h GLU 310 N 0.00 0.00 -0.02 1.05 5.08 -1.69 -2.57 114.58 116.43 3fiy h GLU 310 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fiy h GLU 310 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fiy h GLU 310 CO 0.00 0.00 -0.05 1.19 -1.00 0.00 0.00 179.01 179.15 3fiy n PHE 311 N -3.08 0.00 -3.13 4.33 3.01 -0.68 -4.90 117.46 113.01 3fiy n PHE 311 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.01 3fiy n PHE 311 Cb 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 3fiy n PHE 311 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3fiy s ILE 312 N -1.68 4.85 0.61 4.37 1.01 -0.97 -5.03 121.20 124.35 3fiy s ILE 312 Ca 0.22 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 3fiy s ILE 312 Cb 0.16 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3fiy s ILE 312 CO 0.27 -0.59 0.99 0.00 0.00 0.00 0.00 174.94 175.61 3fiy s ALA 313 N 2.75 3.13 0.33 9.38 0.00 -1.26 -4.97 121.76 131.13 3fiy s ALA 313 Ca 0.21 -0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.05 3fiy s ALA 313 Cb -0.15 -2.96 0.99 0.00 0.00 0.00 0.00 23.12 21.01 3fiy s ALA 313 CO 0.18 -0.70 1.65 -1.35 0.00 0.00 0.00 175.76 175.54 3fiy h PRO 314 N -0.26 0.24 -0.02 0.00 0.11 -2.00 -1.97 132.00 128.10 3fiy h PRO 314 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fiy h PRO 314 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fiy h PRO 314 CO 0.62 0.16 -0.35 0.39 -0.21 0.00 0.00 178.00 178.61 3fiy n GLU 315 N -5.14 1.39 0.05 1.05 1.02 -1.26 -4.67 120.64 113.08 3fiy n GLU 315 Ca 0.29 -1.12 -0.11 0.00 -0.02 0.00 0.00 57.16 56.20 3fiy n GLU 315 Cb 0.92 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.82 3fiy n GLU 315 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3fiy h ASP 316 N 2.73 -0.81 -0.16 1.62 5.19 -1.73 -1.99 116.42 121.27 3fiy h ASP 316 Ca 0.00 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 3fiy h ASP 316 Cb 0.77 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 3fiy h ASP 316 CO 0.00 -0.33 0.05 0.24 -3.12 0.00 0.00 179.24 176.08 3fiy h MET 317 N -0.40 0.32 -0.24 3.56 2.86 -1.83 0.11 114.93 119.32 3fiy h MET 317 Ca 0.07 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3fiy h MET 317 Cb 0.50 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 3fiy h MET 317 CO -0.26 0.30 -0.20 0.37 1.06 0.00 0.00 176.91 178.19 3fiy h GLN 318 N 0.32 0.56 -0.47 1.72 4.15 -1.82 -1.58 115.11 117.98 3fiy h GLN 318 Ca 0.08 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 3fiy h GLN 318 Cb 0.13 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3fiy h GLN 318 CO -0.00 0.86 0.25 1.15 -1.93 0.00 0.00 178.83 179.15 3fiy h THR 319 N 0.26 1.18 -0.24 2.39 2.02 -0.76 -2.43 112.91 115.32 3fiy h THR 319 Ca 0.04 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 3fiy h THR 319 Cb 0.74 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3fiy h THR 319 CO 0.05 0.19 -0.10 0.40 0.37 0.00 0.00 175.52 176.43 3fiy h ILE 320 N 0.62 1.20 -0.62 3.11 2.04 -0.75 -3.09 117.51 120.02 3fiy h ILE 320 Ca 0.16 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3fiy h ILE 320 Cb 0.08 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3fiy h ILE 320 CO -0.02 0.28 0.00 -1.54 0.00 0.00 0.00 178.15 176.87 3fiy n SER 321 N -4.25 3.35 -4.71 1.72 3.41 -0.60 -4.59 113.62 107.94 3fiy n SER 321 Ca 0.00 -2.00 -0.40 0.00 -0.26 0.00 0.00 58.87 56.22 3fiy n SER 321 Cb 0.28 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 63.84 3fiy n SER 321 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fiy n ALA 322 N 1.33 1.37 -1.66 7.33 0.00 -0.94 -4.81 120.51 123.13 3fiy n ALA 322 Ca 0.21 0.20 -0.47 0.00 0.00 0.00 0.00 53.44 53.38 3fiy n ALA 322 Cb 0.53 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3fiy n ALA 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3fiy n PRO 323 N -0.37 1.99 -3.73 0.00 -0.04 -1.26 -5.01 135.00 126.58 3fiy n PRO 323 Ca 0.08 0.72 -0.23 0.00 -0.04 0.00 0.00 63.50 64.02 3fiy n PRO 323 Cb 0.42 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.42 3fiy n PRO 323 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fiy s ILE 324 N 0.66 5.20 0.06 0.52 -4.36 -1.26 -5.03 121.20 116.99 3fiy s ILE 324 Ca 0.77 -0.70 0.09 0.00 -0.26 0.00 0.00 60.65 60.55 3fiy s ILE 324 Cb -0.71 -3.84 -0.21 0.00 1.25 0.00 0.00 42.46 38.95 3fiy s ILE 324 CO 0.41 -0.37 1.09 0.44 0.24 0.00 0.00 174.94 176.74 3fiy h ASP 325 N 1.20 0.00 -5.01 4.36 3.32 -1.50 -3.48 116.42 115.31 3fiy h ASP 325 Ca -0.50 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.56 3fiy h ASP 325 Cb 1.22 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.67 3fiy h ASP 325 CO 0.63 0.99 0.21 0.72 -1.72 0.00 0.00 179.24 180.06 3fiy s PHE 326 N -2.68 -0.40 -0.13 4.55 -0.71 -1.25 -4.44 117.98 112.93 3fiy s PHE 326 Ca -0.01 0.09 -0.00 0.00 -1.04 0.00 0.00 56.93 55.97 3fiy s PHE 326 Cb 0.09 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.49 3fiy s PHE 326 CO 0.82 -0.99 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.42 3fiy s LEU 327 N -2.81 2.75 -0.18 -1.99 0.20 0.08 -3.60 118.68 113.12 3fiy s LEU 327 Ca 0.05 -0.31 -0.14 0.00 0.69 0.00 0.00 54.13 54.42 3fiy s LEU 327 Cb -0.03 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 3fiy s LEU 327 CO -0.06 0.17 0.31 -0.83 -0.29 0.00 0.00 176.35 175.66 3fiy s GLY 328 N 0.30 2.15 -0.17 7.98 0.00 0.44 -1.52 107.32 116.51 3fiy s GLY 328 Ca -0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.09 3fiy s GLY 328 CO 0.05 0.54 -0.10 0.14 0.00 0.00 0.00 173.10 173.74 3fiy s VAL 329 N 0.77 3.16 -0.18 1.40 1.01 0.41 -1.06 120.40 125.92 3fiy s VAL 329 Ca 0.16 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3fiy s VAL 329 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3fiy s VAL 329 CO 0.05 0.49 -0.05 0.20 0.00 0.00 0.00 175.10 175.79 3fiy s ASN 330 N 0.84 4.53 -0.08 3.32 0.02 -0.21 -1.00 114.94 122.36 3fiy s ASN 330 Ca -0.03 -0.25 -0.07 0.00 -1.02 0.00 0.00 52.86 51.49 3fiy s ASN 330 Cb -0.15 -1.75 0.02 0.00 0.02 0.00 0.00 41.25 39.40 3fiy s ASN 330 CO 0.01 0.10 0.22 -0.47 0.02 0.00 0.00 177.10 176.97 3fiy s TYR 331 N 0.79 -0.24 0.00 2.20 5.04 -0.70 -1.92 117.35 122.51 3fiy s TYR 331 Ca -0.02 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 3fiy s TYR 331 Cb -0.15 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.24 3fiy s TYR 331 CO 0.02 -0.13 0.00 0.66 -1.34 0.00 0.00 175.55 174.76 3fiy n TYR 332 N 3.12 0.00 -3.43 4.97 4.01 -1.26 -4.15 117.16 120.42 3fiy n TYR 332 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.48 3fiy n TYR 332 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.59 3fiy n TYR 332 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fiy s ASN 333 N -3.04 -0.57 0.75 7.72 4.22 -1.26 -4.75 114.94 118.01 3fiy s ASN 333 Ca 0.00 0.03 -0.03 0.00 -2.14 0.00 0.00 52.86 50.72 3fiy s ASN 333 Cb 0.00 0.59 0.13 0.00 1.28 0.00 0.00 41.25 43.25 3fiy s ASN 333 CO 0.00 -0.94 1.03 -2.16 -2.04 0.00 0.00 177.10 172.99 3fiy s PRO 334 N -3.62 1.59 -0.04 3.55 0.04 -1.26 -4.08 135.00 131.19 3fiy s PRO 334 Ca 0.01 -0.95 0.02 0.00 0.04 0.00 0.00 61.00 60.12 3fiy s PRO 334 Cb -0.01 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.28 3fiy s PRO 334 CO -0.12 -1.54 -0.08 -1.64 0.04 0.00 0.00 177.00 173.66 3fiy s MET 335 N -5.24 0.98 -0.18 4.56 -1.94 0.34 -4.79 119.30 113.04 3fiy s MET 335 Ca 0.67 -0.24 -0.05 0.00 -1.71 0.00 0.00 55.69 54.35 3fiy s MET 335 Cb -0.06 -0.92 -0.03 0.00 2.01 0.00 0.00 34.83 35.84 3fiy s MET 335 CO 0.45 0.03 -0.00 1.03 -0.01 0.00 0.00 175.02 176.53 3fiy s ARG 336 N 0.49 3.71 0.17 2.03 0.52 -1.26 -1.70 118.95 122.91 3fiy s ARG 336 Ca -0.08 -0.48 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 3fiy s ARG 336 Cb -0.11 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 3fiy s ARG 336 CO 0.01 0.16 -0.20 0.14 0.02 0.00 0.00 175.30 175.42 3fiy s VAL 337 N 0.62 1.94 0.04 3.52 -7.23 -0.63 -0.30 120.40 118.37 3fiy s VAL 337 Ca -0.01 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 3fiy s VAL 337 Cb -0.14 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 3fiy s VAL 337 CO 0.02 -0.24 0.01 -1.59 -0.31 0.00 0.00 175.10 172.99 3fiy s LYS 338 N -2.67 0.53 0.66 4.82 -2.85 -0.38 -0.96 119.74 118.90 3fiy s LYS 338 Ca 0.16 -0.94 -0.13 0.00 -1.00 0.00 0.00 55.97 54.06 3fiy s LYS 338 Cb -0.07 0.19 -0.00 0.00 -2.06 0.00 0.00 37.83 35.89 3fiy s LYS 338 CO 0.07 -0.11 1.07 0.45 0.10 0.00 0.00 175.35 176.93 3fiy s SER 339 N -2.35 5.40 -0.04 0.03 0.15 -1.26 -1.20 113.70 114.43 3fiy s SER 339 Ca -0.02 1.76 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 3fiy s SER 339 Cb 0.01 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3fiy s SER 339 CO -0.06 -1.43 0.25 -0.55 1.20 0.00 0.00 173.24 172.65 3fiy s SER 340 N -3.21 -0.17 0.41 5.45 0.15 -0.89 -4.73 113.70 110.71 3fiy s SER 340 Ca 0.62 0.18 0.22 0.00 0.70 0.00 0.00 55.95 57.67 3fiy s SER 340 Cb -0.16 0.37 0.68 0.00 -1.71 0.00 0.00 66.02 65.21 3fiy s SER 340 CO 0.46 -0.30 1.72 1.55 1.20 0.00 0.00 173.24 177.88 3fiy h PRO 341 N 4.64 0.00 -6.74 5.44 0.13 -1.98 -3.36 132.00 130.13 3fiy h PRO 341 Ca -0.29 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 3fiy h PRO 341 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3fiy h PRO 341 CO 0.38 0.26 0.23 1.14 -0.23 0.00 0.00 178.00 179.78 3fiy s GLN 342 N -3.45 4.42 0.58 0.86 -2.07 -1.26 -4.77 119.66 113.97 3fiy s GLN 342 Ca 0.02 1.11 -0.20 0.00 -1.82 0.00 0.00 55.36 54.46 3fiy s GLN 342 Cb 0.09 -2.82 -0.04 0.00 -1.09 0.00 0.00 33.01 29.16 3fiy s GLN 342 CO 0.66 0.32 1.33 -1.25 -1.32 0.00 0.00 175.29 175.03 3fiy s PRO 343 N -2.06 2.96 -0.04 9.60 0.04 -1.26 0.36 135.00 144.60 3fiy s PRO 343 Ca 0.47 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.68 3fiy s PRO 343 Cb -0.17 -2.12 0.11 0.00 0.04 0.00 0.00 34.50 32.36 3fiy s PRO 343 CO 0.22 -1.31 0.83 -0.35 0.04 0.00 0.00 177.00 176.44 3fiy n PRO 344 N -1.31 1.42 -1.01 0.56 -0.04 -1.26 -4.81 135.00 128.54 3fiy n PRO 344 Ca 0.12 -0.44 -0.00 0.00 -0.04 0.00 0.00 63.50 63.14 3fiy n PRO 344 Cb 0.46 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3fiy n PRO 344 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fiy n GLY 345 N 0.15 0.47 2.97 0.55 0.00 0.16 -5.01 105.19 104.48 3fiy n GLY 345 Ca 0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 3fiy n GLY 345 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fiy s ILE 346 N -1.98 0.70 -0.07 -0.61 1.01 -1.26 -2.10 121.20 116.89 3fiy s ILE 346 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3fiy s ILE 346 Cb 0.00 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3fiy s ILE 346 CO 0.00 0.23 -0.10 -0.70 0.00 0.00 0.00 174.94 174.37 3fiy s GLU 347 N 0.36 1.51 -0.20 2.79 2.12 -0.34 -4.86 118.70 120.08 3fiy s GLU 347 Ca -0.05 -0.32 -0.20 0.00 0.36 0.00 0.00 54.97 54.75 3fiy s GLU 347 Cb -0.10 -1.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.92 3fiy s GLU 347 CO 0.01 -0.06 0.60 0.08 -0.54 0.00 0.00 175.26 175.35 3fiy s VAL 348 N 0.94 5.04 -0.26 3.70 1.01 -1.26 -1.25 120.40 128.32 3fiy s VAL 348 Ca -0.10 1.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.84 3fiy s VAL 348 Cb -0.15 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3fiy s VAL 348 CO 0.01 0.13 0.43 -0.69 0.00 0.00 0.00 175.10 174.97 3fiy s VAL 349 N 1.85 5.13 0.47 2.92 1.01 0.59 -5.00 120.40 127.37 3fiy s VAL 349 Ca 0.27 0.70 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 3fiy s VAL 349 Cb -0.16 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 3fiy s VAL 349 CO 0.10 0.13 1.07 -1.10 0.00 0.00 0.00 175.10 175.31 3fiy s GLN 350 N 2.13 3.81 -0.09 2.72 -1.52 -1.26 -4.36 119.66 121.08 3fiy s GLN 350 Ca 0.18 1.50 0.00 0.00 -1.95 0.00 0.00 55.36 55.09 3fiy s GLN 350 Cb -0.16 -2.23 -0.03 0.00 -0.22 0.00 0.00 33.01 30.37 3fiy s GLN 350 CO 0.09 -0.45 -0.09 0.08 -0.25 0.00 0.00 175.29 174.68 3fiy s VAL 351 N -1.80 3.52 -0.13 1.09 1.01 -1.26 -5.02 120.40 117.81 3fiy s VAL 351 Ca 0.65 -0.53 0.22 0.00 0.00 0.00 0.00 61.98 62.32 3fiy s VAL 351 Cb -0.21 -2.46 -0.18 0.00 0.00 0.00 0.00 36.38 33.53 3fiy s VAL 351 CO 0.25 0.56 0.72 -0.62 0.00 0.00 0.00 175.10 176.01 3fiy n GLU 352 N 2.75 0.64 -3.62 2.72 1.02 -1.26 -4.84 120.64 118.05 3fiy n GLU 352 Ca -0.18 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 3fiy n GLU 352 Cb 0.53 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 3fiy n GLU 352 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3fiy s SER 353 N -4.97 -0.64 0.00 1.62 0.15 -1.26 -4.42 113.70 104.18 3fiy s SER 353 Ca -0.05 1.17 -0.21 0.00 0.70 0.00 0.00 55.95 57.56 3fiy s SER 353 Cb 0.12 1.17 -0.05 0.00 -1.71 0.00 0.00 66.02 65.54 3fiy s SER 353 CO 0.85 -0.25 0.62 -2.16 1.20 0.00 0.00 173.24 173.50 3fiy s PRO 354 N 0.15 4.35 0.18 5.44 0.04 -1.26 -5.02 135.00 138.87 3fiy s PRO 354 Ca 0.00 0.79 0.01 0.00 0.04 0.00 0.00 61.00 61.84 3fiy s PRO 354 Cb -0.04 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 3fiy s PRO 354 CO -0.00 0.35 0.03 0.14 0.04 0.00 0.00 177.00 177.55 3fiy s VAL 355 N -0.14 0.52 0.38 -0.36 -7.23 -1.26 -0.95 120.40 111.36 3fiy s VAL 355 Ca 0.32 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 3fiy s VAL 355 Cb -0.19 -2.19 0.07 0.00 0.56 0.00 0.00 36.38 34.64 3fiy s VAL 355 CO 0.18 -0.39 0.52 0.35 -0.31 0.00 0.00 175.10 175.45 3fiy n THR 356 N -0.24 0.00 0.31 5.32 -2.24 -0.77 -4.89 114.28 111.77 3fiy n THR 356 Ca -0.05 -0.82 0.11 0.00 -2.27 0.00 0.00 64.05 61.03 3fiy n THR 356 Cb 0.64 -1.12 0.52 0.00 -2.10 0.00 0.00 70.33 68.26 3fiy n THR 356 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fiy n ALA 357 N -2.95 1.44 0.89 6.98 0.00 0.34 -0.89 120.51 126.32 3fiy n ALA 357 Ca -0.09 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3fiy n ALA 357 Cb 0.31 -1.36 0.31 0.00 0.00 0.00 0.00 19.45 18.71 3fiy n ALA 357 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3fiy n MET 358 N -2.23 0.07 -0.76 0.00 2.81 -1.26 -4.91 117.12 110.83 3fiy n MET 358 Ca 0.01 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 3fiy n MET 358 Cb 0.16 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3fiy n MET 358 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fiy n GLY 359 N 1.46 0.56 3.70 3.03 0.00 -0.07 -5.03 105.19 108.83 3fiy n GLY 359 Ca 0.05 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3fiy n GLY 359 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fiy s TRP 360 N -2.00 3.48 0.29 1.61 0.51 -1.26 -4.77 118.94 116.80 3fiy s TRP 360 Ca 0.00 0.98 -0.30 0.00 -2.12 0.00 0.00 56.10 54.67 3fiy s TRP 360 Cb 0.00 -2.70 -0.11 0.00 -0.81 0.00 0.00 33.47 29.85 3fiy s TRP 360 CO 0.00 0.02 1.56 -2.00 -0.51 0.00 0.00 176.95 176.02 3fiy s GLU 361 N 1.15 4.15 -0.44 4.98 2.12 -1.26 -1.85 118.70 127.55 3fiy s GLU 361 Ca 0.30 2.52 -0.19 0.00 0.36 0.00 0.00 54.97 57.96 3fiy s GLU 361 Cb -0.16 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.22 3fiy s GLU 361 CO 0.12 -0.58 0.54 0.42 -0.54 0.00 0.00 175.26 175.22 3fiy s ILE 362 N -0.09 4.96 -0.39 -3.70 1.01 -0.12 -4.37 121.20 118.50 3fiy s ILE 362 Ca 0.62 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.13 3fiy s ILE 362 Cb -0.46 -4.14 0.16 0.00 0.01 0.00 0.00 42.46 38.03 3fiy s ILE 362 CO 0.48 -0.54 0.40 0.00 0.00 0.00 0.00 174.94 175.29 3fiy s ALA 363 N 2.46 -0.42 0.52 9.38 0.00 -1.26 -4.78 121.76 127.66 3fiy s ALA 363 Ca 0.17 -1.06 0.21 0.00 0.00 0.00 0.00 51.96 51.27 3fiy s ALA 363 Cb -0.16 -2.08 1.32 0.00 0.00 0.00 0.00 23.12 22.20 3fiy s ALA 363 CO 0.16 -2.15 2.05 -1.00 0.00 0.00 0.00 175.76 174.82 3fiy h PRO 364 N 6.78 0.04 0.00 0.00 0.13 -1.93 -0.26 132.00 136.76 3fiy h PRO 364 Ca 0.07 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3fiy h PRO 364 Cb 1.05 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 3fiy h PRO 364 CO 0.20 0.03 -0.02 1.05 -0.23 0.00 0.00 178.00 179.02 3fiy h GLU 365 N 0.04 0.00 -0.24 0.86 9.09 -1.95 -0.70 114.58 121.67 3fiy h GLU 365 Ca 0.17 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.55 3fiy h GLU 365 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.71 3fiy h GLU 365 CO -0.01 0.02 0.00 0.78 0.05 0.00 0.00 179.01 179.85 3fiy h GLY 366 N 0.14 0.38 1.05 1.06 0.00 -1.46 -0.48 103.07 103.75 3fiy h GLY 366 Ca -0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 3fiy h GLY 366 CO 0.00 0.19 -0.44 -2.00 0.00 0.00 0.00 176.54 174.29 3fiy h LEU 367 N 0.35 0.85 -0.05 3.11 5.85 -1.26 -1.54 115.31 122.62 3fiy h LEU 367 Ca 0.08 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3fiy h LEU 367 Cb 0.24 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3fiy h LEU 367 CO 0.01 1.21 0.02 0.22 -0.34 0.00 0.00 178.44 179.56 3fiy h TYR 368 N 0.52 0.07 -0.76 1.25 5.03 -1.36 -1.84 116.97 119.87 3fiy h TYR 368 Ca 0.02 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 3fiy h TYR 368 Cb 1.04 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 39.27 3fiy h TYR 368 CO 0.08 0.14 0.42 -0.44 -1.32 0.00 0.00 178.16 177.04 3fiy h ASP 369 N -0.03 0.94 0.18 -2.11 3.32 -1.11 -1.40 116.42 116.20 3fiy h ASP 369 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3fiy h ASP 369 Cb 0.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3fiy h ASP 369 CO -0.00 0.75 -0.09 0.25 -1.72 0.00 0.00 179.24 178.44 3fiy h LEU 370 N 1.06 -0.20 -0.78 1.55 5.85 -1.08 -0.12 115.31 121.58 3fiy h LEU 370 Ca 0.27 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3fiy h LEU 370 Cb 0.02 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3fiy h LEU 370 CO -0.04 -0.07 0.41 -0.07 -0.34 0.00 0.00 178.44 178.32 3fiy h LEU 371 N -0.32 0.99 -0.65 2.25 3.38 -1.12 -1.24 115.31 118.60 3fiy h LEU 371 Ca -0.02 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3fiy h LEU 371 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3fiy h LEU 371 CO 0.04 0.82 -0.16 0.24 0.09 0.00 0.00 178.44 179.47 3fiy h MET 372 N 1.09 0.89 -0.30 1.13 2.86 -1.18 -2.30 114.93 117.12 3fiy h MET 372 Ca 0.27 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3fiy h MET 372 Cb 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3fiy h MET 372 CO -0.04 0.99 0.02 0.78 1.06 0.00 0.00 176.91 179.71 3fiy h GLY 373 N 0.95 0.56 0.98 8.32 0.00 -0.64 -0.52 103.07 112.71 3fiy h GLY 373 Ca 0.12 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3fiy h GLY 373 CO 0.05 0.37 0.23 -2.22 0.00 0.00 0.00 176.54 174.97 3fiy h ILE 374 N 0.32 1.13 -0.60 2.60 2.04 -1.22 -0.77 117.51 121.02 3fiy h ILE 374 Ca 0.09 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3fiy h ILE 374 Cb 0.40 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3fiy h ILE 374 CO 0.01 0.13 0.30 0.74 0.00 0.00 0.00 178.15 179.33 3fiy h THR 375 N 0.51 1.21 -0.29 -0.27 2.02 -1.29 0.93 112.91 115.72 3fiy h THR 375 Ca 0.14 -0.58 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 3fiy h THR 375 Cb 0.01 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3fiy h THR 375 CO -0.03 0.24 -0.52 0.03 0.37 0.00 0.00 175.52 175.61 3fiy h ARG 376 N 0.82 0.86 -0.00 6.66 3.08 -0.94 -0.24 114.38 124.61 3fiy h ARG 376 Ca 0.21 -0.53 -0.14 0.00 0.07 0.00 0.00 59.98 59.59 3fiy h ARG 376 Cb 0.10 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.22 3fiy h ARG 376 CO -0.03 1.16 -0.55 1.15 -1.07 0.00 0.00 179.97 180.64 3fiy h THR 377 N 0.66 1.45 -0.14 2.04 2.02 -1.03 -3.38 112.91 114.54 3fiy h THR 377 Ca 0.02 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.14 3fiy h THR 377 Cb 1.12 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 3fiy h THR 377 CO 0.12 0.60 0.00 -1.22 0.37 0.00 0.00 175.52 175.38 3fiy n TYR 378 N -4.26 0.18 0.00 3.16 4.01 0.31 -5.09 117.16 115.46 3fiy n TYR 378 Ca -0.10 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 3fiy n TYR 378 Cb 0.65 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 3fiy n TYR 378 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fiy n GLY 379 N 0.66 1.61 2.90 2.72 0.00 -0.10 -4.79 105.19 108.20 3fiy n GLY 379 Ca 0.09 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3fiy n GLY 379 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fiy n LYS 380 N 1.59 3.00 -3.27 1.61 4.81 -1.24 -4.34 118.16 120.32 3fiy n LYS 380 Ca 0.00 -2.84 -0.23 0.00 -0.87 0.00 0.00 58.31 54.37 3fiy n LYS 380 Cb 0.00 -3.28 -0.00 0.00 0.02 0.00 0.00 35.03 31.76 3fiy n LYS 380 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 3fiy s LEU 381 N 2.30 3.89 0.24 3.14 0.05 -1.26 -4.85 118.68 122.19 3fiy s LEU 381 Ca 0.47 0.33 -0.31 0.00 0.05 0.00 0.00 54.13 54.67 3fiy s LEU 381 Cb 0.11 -3.20 -0.12 0.00 -2.05 0.00 0.00 46.19 40.94 3fiy s LEU 381 CO -0.05 -0.44 1.66 -2.84 -0.55 0.00 0.00 176.35 174.13 3fiy s PRO 382 N -4.38 4.13 -0.03 1.48 0.02 -1.26 -4.44 135.00 130.53 3fiy s PRO 382 Ca 0.43 2.57 0.04 0.00 0.02 0.00 0.00 61.00 64.06 3fiy s PRO 382 Cb -0.10 -3.06 -0.00 0.00 0.02 0.00 0.00 34.50 31.36 3fiy s PRO 382 CO 0.36 -0.69 -0.14 0.42 -0.33 0.00 0.00 177.00 176.62 3fiy s ILE 383 N 0.71 1.18 -0.08 2.83 1.01 -0.27 -0.74 121.20 125.84 3fiy s ILE 383 Ca 0.70 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.79 3fiy s ILE 383 Cb -0.48 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 3fiy s ILE 383 CO 0.38 0.34 -0.22 -0.31 0.00 0.00 0.00 174.94 175.13 3fiy s TYR 384 N -0.05 2.30 -0.69 3.97 1.51 -0.57 -0.13 117.35 123.69 3fiy s TYR 384 Ca -0.01 -0.85 -0.25 0.00 -1.01 0.00 0.00 57.07 54.96 3fiy s TYR 384 Cb -0.09 -1.54 0.05 0.00 -0.11 0.00 0.00 41.96 40.27 3fiy s TYR 384 CO 0.01 -0.33 1.14 0.42 -1.11 0.00 0.00 175.55 175.68 3fiy s ILE 385 N 0.23 4.00 -1.05 2.71 1.01 -0.70 -0.44 121.20 126.95 3fiy s ILE 385 Ca -0.13 0.14 0.29 0.00 0.00 0.00 0.00 60.65 60.94 3fiy s ILE 385 Cb -0.16 -4.80 0.24 0.00 0.01 0.00 0.00 42.46 37.75 3fiy s ILE 385 CO 0.06 -1.64 1.88 0.35 0.00 0.00 0.00 174.94 175.59 3fiy n THR 386 N 6.21 0.00 -3.64 2.92 -2.24 -0.17 -0.49 114.28 116.88 3fiy n THR 386 Ca 0.01 -0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 3fiy n THR 386 Cb 0.48 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 3fiy n THR 386 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fiy s GLU 387 N -2.95 0.70 -0.29 -0.78 2.02 -1.19 -4.72 118.70 111.49 3fiy s GLU 387 Ca 0.15 1.15 -0.16 0.00 0.02 0.00 0.00 54.97 56.14 3fiy s GLU 387 Cb 0.19 0.17 0.14 0.00 0.10 0.00 0.00 34.13 34.73 3fiy s GLU 387 CO 0.54 -0.14 0.93 1.21 0.02 0.00 0.00 175.26 177.83 3fiy s ASN 388 N 1.43 -0.58 0.00 -0.19 2.47 -1.19 -1.72 114.94 115.15 3fiy s ASN 388 Ca -0.08 0.91 0.00 0.00 0.42 0.00 0.00 52.86 54.11 3fiy s ASN 388 Cb -0.05 1.28 0.00 0.00 -1.45 0.00 0.00 41.25 41.03 3fiy s ASN 388 CO -0.17 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 3fiy n GLY 389 N 3.91 -1.23 3.32 1.21 0.00 -1.26 -1.27 105.19 109.87 3fiy n GLY 389 Ca -0.18 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3fiy n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiy s ALA 390 N -1.00 -1.00 -0.17 4.61 0.00 -1.26 -4.90 121.76 118.04 3fiy s ALA 390 Ca 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 3fiy s ALA 390 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3fiy s ALA 390 CO 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 175.76 175.32 3fiy s ALA 391 N -2.45 3.18 0.03 0.00 0.00 -1.26 -4.40 121.76 116.86 3fiy s ALA 391 Ca -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3fiy s ALA 391 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 3fiy s ALA 391 CO -0.02 0.16 -0.02 -0.06 0.00 0.00 0.00 175.76 175.81 3fiy s PHE 392 N 0.44 0.33 -1.26 0.00 0.08 -1.18 -0.51 117.98 115.89 3fiy s PHE 392 Ca -0.00 -0.69 -0.20 0.00 0.12 0.00 0.00 56.93 56.16 3fiy s PHE 392 Cb -0.13 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 42.09 3fiy s PHE 392 CO 0.02 -0.26 1.80 0.34 -0.10 0.00 0.00 175.22 177.01 3fiy s ASP 393 N -1.96 6.25 0.38 1.36 3.68 -1.26 -4.40 116.67 120.72 3fiy s ASP 393 Ca -0.08 -2.18 -0.24 0.00 2.13 0.00 0.00 52.55 52.18 3fiy s ASP 393 Cb -0.04 -2.58 -0.10 0.00 -1.45 0.00 0.00 42.92 38.75 3fiy s ASP 393 CO -0.04 -1.79 0.97 -1.81 0.13 0.00 0.00 175.17 172.63 3fiy s ASP 394 N 4.97 7.06 -0.19 -0.34 1.01 -1.26 -5.08 116.67 122.84 3fiy s ASP 394 Ca 0.58 1.81 -0.15 0.00 0.71 0.00 0.00 52.55 55.51 3fiy s ASP 394 Cb 0.02 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.44 3fiy s ASP 394 CO 0.09 -0.27 0.48 -1.10 0.21 0.00 0.00 175.17 174.58 3fiy s GLN 395 N -2.61 0.53 0.52 8.23 -0.21 -1.26 -5.10 119.66 119.76 3fiy s GLN 395 Ca 0.57 0.75 -0.22 0.00 0.02 0.00 0.00 55.36 56.48 3fiy s GLN 395 Cb -0.15 0.19 -0.06 0.00 1.00 0.00 0.00 33.01 33.99 3fiy s GLN 395 CO 0.20 -0.10 1.25 -2.14 -2.12 0.00 0.00 175.29 172.38 3fiy s PRO 396 N 0.66 3.36 0.57 2.91 0.02 -1.26 -4.66 135.00 136.60 3fiy s PRO 396 Ca -0.03 1.97 -0.05 0.00 0.02 0.00 0.00 61.00 62.91 3fiy s PRO 396 Cb -0.05 -2.26 0.12 0.00 0.02 0.00 0.00 34.50 32.34 3fiy s PRO 396 CO -0.04 -0.93 0.78 -0.40 -0.33 0.00 0.00 177.00 176.07 3fiy n ASP 397 N -0.91 0.59 0.30 2.53 5.68 0.04 -4.86 116.55 119.92 3fiy n ASP 397 Ca 0.10 -1.60 0.19 0.00 -0.50 0.00 0.00 54.79 52.97 3fiy n ASP 397 Cb 0.47 -0.55 1.02 0.00 -1.14 0.00 0.00 41.12 40.92 3fiy n ASP 397 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3fiy h GLN 398 N 0.00 0.00 -0.01 0.11 4.20 -1.96 -0.12 115.11 117.34 3fiy h GLN 398 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3fiy h GLN 398 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3fiy h GLN 398 CO 0.23 0.00 -0.34 0.45 -0.67 0.00 0.00 178.83 178.50 3fiy n SER 399 N -3.45 1.16 0.00 1.46 2.88 -1.26 -4.95 113.62 109.47 3fiy n SER 399 Ca -0.02 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 3fiy n SER 399 Cb 0.15 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 3fiy n SER 399 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fiy n GLY 400 N 1.37 0.78 3.87 0.46 0.00 -0.06 -5.08 105.19 106.54 3fiy n GLY 400 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3fiy n GLY 400 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fiy s GLN 401 N -0.74 3.78 -0.38 1.61 1.11 -1.26 -4.71 119.66 119.08 3fiy s GLN 401 Ca 0.00 0.21 -0.02 0.00 0.01 0.00 0.00 55.36 55.56 3fiy s GLN 401 Cb 0.00 -2.81 0.10 0.00 -1.01 0.00 0.00 33.01 29.28 3fiy s GLN 401 CO 0.00 0.43 0.14 0.08 0.01 0.00 0.00 175.29 175.95 3fiy s VAL 402 N -1.63 3.09 -0.33 1.09 1.01 -1.26 -0.78 120.40 121.58 3fiy s VAL 402 Ca 0.41 -1.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.31 3fiy s VAL 402 Cb -0.13 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3fiy s VAL 402 CO 0.21 -0.56 0.22 0.20 0.00 0.00 0.00 175.10 175.17 3fiy s ASN 403 N 1.58 5.97 -0.63 3.32 0.01 -1.26 -1.30 114.94 122.63 3fiy s ASN 403 Ca 0.06 -0.39 0.06 0.00 -0.71 0.00 0.00 52.86 51.88 3fiy s ASN 403 Cb -0.22 -2.11 0.27 0.00 0.41 0.00 0.00 41.25 39.60 3fiy s ASN 403 CO -0.04 -0.21 0.79 -0.90 -1.51 0.00 0.00 177.10 175.24 3fiy n ASP 404 N 5.08 3.93 -0.01 -1.22 5.75 -1.26 -4.93 116.55 123.89 3fiy n ASP 404 Ca -0.13 -3.50 0.19 0.00 -0.01 0.00 0.00 54.79 51.34 3fiy n ASP 404 Cb 0.50 -0.65 0.67 0.00 -1.03 0.00 0.00 41.12 40.61 3fiy n ASP 404 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3fiy h PRO 405 N 3.90 0.05 -0.32 0.11 0.13 -1.98 -1.31 132.00 132.58 3fiy h PRO 405 Ca 0.18 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 3fiy h PRO 405 Cb 0.63 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3fiy h PRO 405 CO 0.83 0.03 -0.25 1.96 -0.23 0.00 0.00 178.00 180.35 3fiy h GLN 406 N 0.05 0.63 -0.20 0.86 4.20 -1.99 -0.55 115.11 118.10 3fiy h GLN 406 Ca 0.26 -0.25 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 3fiy h GLN 406 Cb 0.95 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3fiy h GLN 406 CO -0.02 0.82 -0.52 -0.09 -0.67 0.00 0.00 178.83 178.35 3fiy h ARG 407 N 0.55 0.58 -0.64 1.46 2.43 -1.65 -1.36 114.38 115.75 3fiy h ARG 407 Ca 0.08 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 3fiy h ARG 407 Cb 0.72 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3fiy h ARG 407 CO 0.06 0.96 0.31 0.28 -1.51 0.00 0.00 179.97 180.07 3fiy h VAL 408 N 0.45 1.22 -0.86 0.20 2.07 -1.15 -1.23 116.25 116.95 3fiy h VAL 408 Ca 0.01 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3fiy h VAL 408 Cb 1.07 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3fiy h VAL 408 CO 0.10 0.25 0.44 1.23 0.02 0.00 0.00 177.57 179.61 3fiy h GLY 409 N 0.89 1.31 0.90 2.17 0.00 -0.82 0.34 103.07 107.85 3fiy h GLY 409 Ca 0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3fiy h GLY 409 CO -0.03 0.59 0.06 -1.82 0.00 0.00 0.00 176.54 175.35 3fiy h TYR 410 N 1.21 0.18 -0.59 5.60 5.03 -0.73 -2.22 116.97 125.46 3fiy h TYR 410 Ca 0.30 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.52 3fiy h TYR 410 Cb 0.08 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 3fiy h TYR 410 CO 0.01 0.24 0.05 0.74 -1.32 0.00 0.00 178.16 177.89 3fiy h PHE 411 N 0.07 1.04 -0.32 -3.82 0.05 -0.95 -1.70 116.94 111.32 3fiy h PHE 411 Ca 0.04 -0.15 0.02 0.00 3.82 0.00 0.00 57.97 61.71 3fiy h PHE 411 Cb 0.13 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.77 3fiy h PHE 411 CO -0.03 0.91 0.16 0.37 -0.18 0.00 0.00 178.31 179.54 3fiy h GLN 412 N 0.91 0.32 -0.31 1.51 4.15 -0.80 0.55 115.11 121.43 3fiy h GLN 412 Ca 0.18 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.45 3fiy h GLN 412 Cb 0.46 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3fiy h GLN 412 CO 0.02 0.21 -0.28 0.78 -1.93 0.00 0.00 178.83 177.63 3fiy h GLY 413 N 0.33 0.81 1.22 2.39 0.00 -1.26 -2.53 103.07 104.02 3fiy h GLY 413 Ca 0.13 -0.81 -0.20 0.00 0.00 0.00 0.00 47.33 46.45 3fiy h GLY 413 CO -0.09 0.74 -0.65 0.45 0.00 0.00 0.00 176.54 176.98 3fiy h HIS 414 N 0.50 1.03 -0.21 5.60 3.86 -1.16 -1.48 115.15 123.31 3fiy h HIS 414 Ca 0.05 -0.41 -0.09 0.00 -1.16 0.00 0.00 60.37 58.76 3fiy h HIS 414 Cb 0.85 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 3fiy h HIS 414 CO 0.07 1.23 -0.28 0.82 0.86 0.00 0.00 177.93 180.63 3fiy h ILE 415 N 0.58 1.27 -0.61 2.45 2.04 -0.98 -0.79 117.51 121.47 3fiy h ILE 415 Ca -0.02 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.47 3fiy h ILE 415 Cb 1.26 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3fiy h ILE 415 CO 0.14 0.40 0.05 1.23 0.00 0.00 0.00 178.15 179.97 3fiy h GLY 416 N 1.04 1.13 1.22 5.37 0.00 -1.29 -1.17 103.07 109.37 3fiy h GLY 416 Ca 0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.50 3fiy h GLY 416 CO 0.05 0.73 -0.01 0.00 0.00 0.00 0.00 176.54 177.31 3fiy h ALA 417 N 1.00 0.96 -0.72 3.60 0.00 -0.86 -2.12 119.26 121.12 3fiy h ALA 417 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3fiy h ALA 417 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3fiy h ALA 417 CO 0.02 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.12 3fiy h ALA 418 N 1.12 1.02 -0.72 0.00 0.00 -0.84 -1.81 119.26 118.04 3fiy h ALA 418 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3fiy h ALA 418 Cb 0.52 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3fiy h ALA 418 CO 0.03 0.65 0.20 -0.09 0.00 0.00 0.00 179.25 180.04 3fiy h ARG 419 N 1.07 1.12 -0.67 0.00 9.65 -0.86 -1.47 114.38 123.22 3fiy h ARG 419 Ca 0.23 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.80 3fiy h ARG 419 Cb 0.31 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.70 3fiy h ARG 419 CO -0.01 0.97 0.20 0.00 2.80 0.00 0.00 179.97 183.93 3fiy h ARG 420 N 1.07 1.04 -0.50 0.20 3.08 -1.02 -1.11 114.38 117.13 3fiy h ARG 420 Ca 0.23 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3fiy h ARG 420 Cb 0.33 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3fiy h ARG 420 CO -0.00 0.90 0.22 0.00 -1.07 0.00 0.00 179.97 180.02 3fiy h ALA 421 N 1.21 0.65 -0.13 0.04 0.00 -0.87 -0.49 119.26 119.67 3fiy h ALA 421 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fiy h ALA 421 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3fiy h ALA 421 CO -0.01 0.24 0.04 1.25 0.00 0.00 0.00 179.25 180.77 3fiy h LEU 422 N 0.67 0.05 -1.75 0.00 6.46 -0.93 -1.05 115.31 118.76 3fiy h LEU 422 Ca 0.17 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3fiy h LEU 422 Cb 0.15 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3fiy h LEU 422 CO -0.02 0.05 0.05 0.00 -0.62 0.00 0.00 178.44 177.90 3fiy h ALA 423 N 1.08 1.81 -0.37 1.25 0.00 -0.91 -2.35 119.26 119.77 3fiy h ALA 423 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fiy h ALA 423 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fiy h ALA 423 CO -0.06 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 3fiy n ASP 424 N -4.46 2.38 0.00 0.00 8.00 -0.22 -4.90 116.55 117.34 3fiy n ASP 424 Ca -0.01 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.39 3fiy n ASP 424 Cb 0.12 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3fiy n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fiy n GLY 425 N 0.95 0.95 3.73 0.44 0.00 -0.89 -5.04 105.19 105.34 3fiy n GLY 425 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3fiy n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fiy s VAL 426 N -2.00 4.75 -1.42 1.61 1.01 -0.46 -4.95 120.40 118.94 3fiy s VAL 426 Ca 0.00 1.75 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 3fiy s VAL 426 Cb 0.00 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.27 3fiy s VAL 426 CO 0.00 0.31 2.27 -0.67 0.00 0.00 0.00 175.10 177.01 3fiy n ASP 427 N 3.07 5.49 -4.65 3.32 2.03 -1.26 -4.31 116.55 120.24 3fiy n ASP 427 Ca -0.00 -2.91 -0.43 0.00 0.52 0.00 0.00 54.79 51.97 3fiy n ASP 427 Cb 0.50 -1.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.32 3fiy n ASP 427 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3fiy s LEU 428 N 0.72 4.01 -0.03 -2.67 2.96 -1.26 -1.12 118.68 121.29 3fiy s LEU 428 Ca 0.49 1.24 0.22 0.00 -0.22 0.00 0.00 54.13 55.86 3fiy s LEU 428 Cb 0.14 -3.54 -0.32 0.00 0.50 0.00 0.00 46.19 42.97 3fiy s LEU 428 CO -0.06 -0.80 0.48 0.54 -1.32 0.00 0.00 176.35 175.19 3fiy n ARG 429 N 6.65 0.66 -3.74 1.98 5.12 0.81 -4.94 116.66 123.20 3fiy n ARG 429 Ca 0.12 -0.17 -0.04 0.00 -1.93 0.00 0.00 57.85 55.83 3fiy n ARG 429 Cb 0.46 -1.53 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 3fiy n ARG 429 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3fiy s GLY 430 N -4.58 -0.25 -0.05 -0.13 0.00 -1.25 -2.09 107.32 98.98 3fiy s GLY 430 Ca -0.08 0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 3fiy s GLY 430 CO 0.90 0.03 0.09 -0.47 0.00 0.00 0.00 173.10 173.64 3fiy s TYR 431 N -3.29 -0.05 -0.22 1.90 5.04 -0.34 -1.72 117.35 118.67 3fiy s TYR 431 Ca 0.12 0.33 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3fiy s TYR 431 Cb -0.01 -0.26 0.04 0.00 0.35 0.00 0.00 41.96 42.08 3fiy s TYR 431 CO 0.01 -0.16 -0.15 0.71 -1.34 0.00 0.00 175.55 174.63 3fiy s TYR 432 N 1.54 3.02 0.06 4.97 1.51 0.36 -0.47 117.35 128.34 3fiy s TYR 432 Ca -0.04 -1.93 -0.31 0.00 -1.01 0.00 0.00 57.07 53.78 3fiy s TYR 432 Cb -0.12 -1.94 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 3fiy s TYR 432 CO -0.04 -0.83 1.35 0.00 -1.11 0.00 0.00 175.55 174.92 3fiy s ALA 433 N 1.21 3.55 -0.36 3.71 0.00 -0.63 -3.19 121.76 126.06 3fiy s ALA 433 Ca -0.02 0.97 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 3fiy s ALA 433 Cb -0.16 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 3fiy s ALA 433 CO -0.09 -0.70 0.55 -0.46 0.00 0.00 0.00 175.76 175.07 3fiy s TRP 434 N 1.62 3.17 0.16 0.00 -0.11 -0.40 -0.16 118.94 123.22 3fiy s TRP 434 Ca 0.63 0.21 0.05 0.00 1.22 0.00 0.00 56.10 58.22 3fiy s TRP 434 Cb -0.33 -3.00 -0.04 0.00 -1.50 0.00 0.00 33.47 28.60 3fiy s TRP 434 CO 0.28 -0.58 -0.11 0.45 -4.62 0.00 0.00 176.95 172.37 3fiy s SER 435 N 1.78 2.00 0.24 5.86 0.15 -0.31 -4.05 113.70 119.36 3fiy s SER 435 Ca 0.20 -1.00 -0.05 0.00 0.70 0.00 0.00 55.95 55.80 3fiy s SER 435 Cb -0.15 -0.05 0.43 0.00 -1.71 0.00 0.00 66.02 64.54 3fiy s SER 435 CO 0.14 -0.28 1.72 0.25 1.20 0.00 0.00 173.24 176.27 3fiy h LEU 436 N 2.77 0.18 -8.31 3.45 5.85 -1.56 -1.49 115.31 116.19 3fiy h LEU 436 Ca -0.37 0.12 -0.52 0.00 0.84 0.00 0.00 57.88 57.95 3fiy h LEU 436 Cb 1.20 0.12 -0.28 0.00 0.37 0.00 0.00 40.66 42.07 3fiy h LEU 436 CO 0.62 0.06 -0.82 -0.76 -0.34 0.00 0.00 178.44 177.20 3fiy s LEU 437 N -10.48 2.06 0.22 2.25 1.43 -1.26 -2.37 118.68 110.52 3fiy s LEU 437 Ca -0.13 -0.34 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 3fiy s LEU 437 Cb 0.20 -0.82 -0.15 0.00 0.03 0.00 0.00 46.19 45.45 3fiy s LEU 437 CO 0.76 0.17 1.07 0.47 0.23 0.00 0.00 176.35 179.05 3fiy n ASP 438 N 2.48 1.17 -0.64 2.29 8.00 -0.88 -3.92 116.55 125.06 3fiy n ASP 438 Ca -0.15 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.50 3fiy n ASP 438 Cb 0.54 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 3fiy n ASP 438 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3fiy n ASN 439 N 1.73 0.00 -4.58 -2.24 6.94 -1.26 -4.79 115.26 111.06 3fiy n ASN 439 Ca 0.13 -0.64 -0.42 0.00 -0.02 0.00 0.00 54.58 53.64 3fiy n ASN 439 Cb 0.27 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.67 3fiy n ASN 439 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3fiy s PHE 440 N -5.03 2.38 -1.43 -2.53 5.36 -0.81 -4.66 117.98 111.27 3fiy s PHE 440 Ca 0.00 0.46 -0.07 0.00 -0.96 0.00 0.00 56.93 56.36 3fiy s PHE 440 Cb 0.00 -4.43 0.05 0.00 -0.34 0.00 0.00 43.02 38.30 3fiy s PHE 440 CO 0.00 -1.87 2.55 -1.91 -1.46 0.00 0.00 175.22 172.53 3fiy n GLU 441 N 8.58 4.21 0.00 10.12 4.07 -0.08 -4.69 120.64 142.84 3fiy n GLU 441 Ca 0.11 -3.02 0.00 0.00 -0.06 0.00 0.00 57.16 54.19 3fiy n GLU 441 Cb 0.49 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.15 3fiy n GLU 441 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 3fiy n TRP 442 N 2.57 0.00 0.33 4.31 7.02 -1.26 -0.98 117.44 129.43 3fiy n TRP 442 Ca 0.67 0.00 0.22 0.00 -1.02 0.00 0.00 57.50 57.36 3fiy n TRP 442 Cb 0.25 0.00 1.17 0.00 -2.42 0.00 0.00 31.31 30.31 3fiy n TRP 442 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3fiy h ALA 443 N -0.23 1.04 0.00 6.99 0.00 -1.87 0.03 119.26 125.22 3fiy h ALA 443 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fiy h ALA 443 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fiy h ALA 443 CO 0.00 0.00 -0.13 0.39 0.00 0.00 0.00 179.25 179.52 3fiy n GLU 444 N -3.14 0.03 0.00 0.00 -0.58 -0.15 -1.49 120.64 115.31 3fiy n GLU 444 Ca -0.03 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3fiy n GLU 444 Cb 0.09 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3fiy n GLU 444 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fiy n GLY 445 N 1.48 2.82 1.48 0.62 0.00 -0.01 -2.35 105.19 109.23 3fiy n GLY 445 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.74 3fiy n GLY 445 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fiy n TYR 446 N 13.37 1.46 1.10 1.61 4.01 -1.26 -0.90 117.16 136.55 3fiy n TYR 446 Ca 0.00 -0.51 0.14 0.00 -0.16 0.00 0.00 57.90 57.37 3fiy n TYR 446 Cb 0.00 -0.38 0.58 0.00 -0.31 0.00 0.00 39.34 39.23 3fiy n TYR 446 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3fiy n SER 447 N 0.48 0.13 -4.09 7.72 3.41 -0.99 -4.74 113.62 115.53 3fiy n SER 447 Ca 0.20 0.18 -0.27 0.00 -0.26 0.00 0.00 58.87 58.71 3fiy n SER 447 Cb 0.91 -0.30 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 3fiy n SER 447 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fiy s LYS 448 N -2.89 2.17 -0.26 4.33 -0.14 -1.26 -5.01 119.74 116.69 3fiy s LYS 448 Ca 0.17 -0.57 -0.03 0.00 -1.36 0.00 0.00 55.97 54.17 3fiy s LYS 448 Cb 0.19 -1.74 0.02 0.00 -1.68 0.00 0.00 37.83 34.62 3fiy s LYS 448 CO 0.54 0.06 -0.02 1.03 -0.76 0.00 0.00 175.35 176.21 3fiy s ARG 449 N 0.60 2.99 0.00 1.68 0.52 -1.26 -4.63 118.95 118.85 3fiy s ARG 449 Ca -0.15 -0.89 0.14 0.00 -0.52 0.00 0.00 55.73 54.31 3fiy s ARG 449 Cb -0.16 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3fiy s ARG 449 CO 0.05 -0.38 0.78 1.19 0.02 0.00 0.00 175.30 176.95 3fiy n PHE 450 N 4.74 0.00 -1.61 -0.53 3.01 -1.26 -3.09 117.46 118.72 3fiy n PHE 450 Ca -0.16 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.98 3fiy n PHE 450 Cb 0.48 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.00 3fiy n PHE 450 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3fiy s GLY 451 N -1.66 1.80 0.00 1.37 0.00 -1.25 -1.16 107.32 106.42 3fiy s GLY 451 Ca 0.12 0.23 0.23 0.00 0.00 0.00 0.00 44.72 45.30 3fiy s GLY 451 CO 0.34 0.55 1.20 0.29 0.00 0.00 0.00 173.10 175.48 3fiy n ILE 452 N -2.94 0.00 -4.62 0.90 -5.35 -0.56 -4.72 119.36 102.07 3fiy n ILE 452 Ca 0.08 -0.08 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 3fiy n ILE 452 Cb 0.53 0.74 -0.17 0.00 -1.74 0.00 0.00 39.64 39.01 3fiy n ILE 452 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3fiy s ILE 453 N -2.80 1.92 0.19 7.28 1.01 -1.00 -1.34 121.20 126.46 3fiy s ILE 453 Ca 0.14 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 3fiy s ILE 453 Cb 0.17 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 3fiy s ILE 453 CO 0.70 0.52 0.97 -0.47 0.00 0.00 0.00 174.94 176.67 3fiy s TYR 454 N 0.86 3.86 -0.13 3.97 6.14 0.94 -2.06 117.35 130.93 3fiy s TYR 454 Ca -0.07 1.83 0.02 0.00 0.64 0.00 0.00 57.07 59.49 3fiy s TYR 454 Cb -0.15 -3.05 0.01 0.00 0.42 0.00 0.00 41.96 39.19 3fiy s TYR 454 CO -0.02 0.21 -0.18 0.08 0.64 0.00 0.00 175.55 176.28 3fiy s VAL 455 N -0.67 1.73 -0.50 3.14 1.01 -1.26 -1.08 120.40 122.77 3fiy s VAL 455 Ca 0.44 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 3fiy s VAL 455 Cb -0.26 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.59 3fiy s VAL 455 CO 0.32 0.49 0.84 -0.62 0.00 0.00 0.00 175.10 176.12 3fiy s ASP 456 N 1.04 6.37 0.00 3.32 -1.08 -0.40 -4.90 116.67 121.02 3fiy s ASP 456 Ca -0.04 -0.28 0.14 0.00 -0.52 0.00 0.00 52.55 51.85 3fiy s ASP 456 Cb -0.15 -2.40 0.65 0.00 -1.46 0.00 0.00 42.92 39.56 3fiy s ASP 456 CO -0.04 -1.04 1.43 0.49 0.52 0.00 0.00 175.17 176.52 3fiy n PHE 457 N 6.97 0.00 0.03 -5.34 3.01 -1.26 0.14 117.46 121.00 3fiy n PHE 457 Ca 0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.27 3fiy n PHE 457 Cb 0.48 -0.42 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 3fiy n PHE 457 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3fiy h GLU 458 N 0.00 0.28 0.00 -1.08 5.08 -1.97 -3.39 114.58 113.51 3fiy h GLU 458 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3fiy h GLU 458 Cb 0.20 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3fiy h GLU 458 CO 0.00 1.19 -1.12 0.25 -1.00 0.00 0.00 179.01 178.33 3fiy n THR 459 N -3.48 0.00 -1.04 1.13 -2.24 -1.11 -4.99 114.28 102.55 3fiy n THR 459 Ca -0.28 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 3fiy n THR 459 Cb 1.06 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.91 3fiy n THR 459 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fiy n GLN 460 N -1.64 -0.68 -2.17 -0.78 1.13 0.37 -4.99 117.38 108.63 3fiy n GLN 460 Ca 0.00 0.30 -0.41 0.00 -1.94 0.00 0.00 57.00 54.95 3fiy n GLN 460 Cb 0.29 -3.89 -0.03 0.00 0.11 0.00 0.00 30.24 26.72 3fiy n GLN 460 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3fiy s GLN 461 N -1.11 4.36 -0.11 -1.09 2.00 -1.20 -4.75 119.66 117.77 3fiy s GLN 461 Ca 0.00 2.12 -0.02 0.00 -2.00 0.00 0.00 55.36 55.46 3fiy s GLN 461 Cb 0.00 -3.17 -0.03 0.00 0.80 0.00 0.00 33.01 30.61 3fiy s GLN 461 CO 0.00 -0.29 -0.02 1.03 -0.50 0.00 0.00 175.29 175.51 3fiy s ARG 462 N -0.20 3.17 -0.05 1.67 3.00 -1.26 -1.27 118.95 124.01 3fiy s ARG 462 Ca 0.57 -0.46 -0.00 0.00 0.00 0.00 0.00 55.73 55.83 3fiy s ARG 462 Cb -0.38 -2.80 0.03 0.00 0.00 0.00 0.00 34.95 31.80 3fiy s ARG 462 CO 0.40 0.55 0.00 0.99 0.00 0.00 0.00 175.30 177.24 3fiy s THR 463 N -0.47 0.25 0.20 0.02 2.01 -0.24 -4.98 115.64 112.42 3fiy s THR 463 Ca 0.08 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 3fiy s THR 463 Cb -0.12 -0.38 -0.10 0.00 0.01 0.00 0.00 72.50 71.91 3fiy s THR 463 CO 0.02 0.20 1.56 -0.76 -0.69 0.00 0.00 174.62 174.95 3fiy s LEU 464 N 1.50 4.37 0.63 4.42 1.43 -1.26 -0.04 118.68 129.73 3fiy s LEU 464 Ca -0.03 2.67 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 3fiy s LEU 464 Cb -0.13 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3fiy s LEU 464 CO -0.03 -0.82 0.93 -0.54 0.23 0.00 0.00 176.35 176.12 3fiy s LYS 465 N 0.70 2.54 0.29 1.70 1.02 -0.45 -4.55 119.74 120.99 3fiy s LYS 465 Ca 0.68 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.46 3fiy s LYS 465 Cb -0.44 -2.26 0.62 0.00 -0.52 0.00 0.00 37.83 35.23 3fiy s LYS 465 CO 0.35 -0.94 1.80 0.37 -0.92 0.00 0.00 175.35 176.02 3fiy h GLN 466 N -0.32 0.84 -0.28 1.68 4.15 -1.48 -0.16 115.11 119.54 3fiy h GLN 466 Ca -0.45 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3fiy h GLN 466 Cb 1.29 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3fiy h GLN 466 CO 0.59 0.56 0.13 0.66 -1.93 0.00 0.00 178.83 178.84 3fiy h SER 467 N 0.87 0.35 -0.36 -0.69 4.64 -1.83 0.64 113.55 117.17 3fiy h SER 467 Ca 0.53 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.66 3fiy h SER 467 Cb 0.66 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3fiy h SER 467 CO -0.32 0.31 -0.42 0.00 -0.87 0.00 0.00 176.83 175.53 3fiy h ALA 468 N 1.75 0.53 -0.57 5.18 0.00 -1.10 0.12 119.26 125.17 3fiy h ALA 468 Ca 0.10 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3fiy h ALA 468 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fiy h ALA 468 CO -0.01 0.66 -0.06 1.96 0.00 0.00 0.00 179.25 181.79 3fiy h GLN 469 N 0.72 1.05 -0.41 0.00 4.20 -1.01 -0.39 115.11 119.27 3fiy h GLN 469 Ca 0.05 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 3fiy h GLN 469 Cb 1.01 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3fiy h GLN 469 CO 0.10 1.06 0.05 2.35 -0.67 0.00 0.00 178.83 181.72 3fiy h TRP 470 N 0.94 0.73 -0.57 2.96 7.01 -0.73 -2.68 115.95 123.61 3fiy h TRP 470 Ca 0.15 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.98 3fiy h TRP 470 Cb 0.63 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 3fiy h TRP 470 CO 0.04 0.72 0.09 -0.92 -2.79 0.00 0.00 178.44 175.59 3fiy h TYR 471 N 0.53 0.94 -0.78 2.65 3.20 -0.56 -1.61 116.97 121.34 3fiy h TYR 471 Ca 0.12 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3fiy h TYR 471 Cb 0.40 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.34 3fiy h TYR 471 CO 0.03 0.81 0.48 -0.09 -1.64 0.00 0.00 178.16 177.75 3fiy h ARG 472 N 0.86 0.87 -0.63 1.82 2.43 -0.89 -0.50 114.38 118.33 3fiy h ARG 472 Ca 0.18 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3fiy h ARG 472 Cb 0.37 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3fiy h ARG 472 CO 0.01 0.58 0.11 -0.44 -1.51 0.00 0.00 179.97 178.72 3fiy h ASP 473 N 0.90 0.97 -0.37 -3.80 3.32 -1.02 -1.53 116.42 114.88 3fiy h ASP 473 Ca 0.33 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3fiy h ASP 473 Cb 0.12 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3fiy h ASP 473 CO -0.15 0.96 0.21 0.58 -1.72 0.00 0.00 179.24 179.12 3fiy h VAL 474 N 0.96 1.14 -0.52 -1.35 2.07 -0.41 -0.61 116.25 117.53 3fiy h VAL 474 Ca 0.20 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3fiy h VAL 474 Cb 0.40 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3fiy h VAL 474 CO 0.01 0.14 0.28 0.40 0.02 0.00 0.00 177.57 178.42 3fiy h ILE 475 N 0.48 1.18 -0.05 4.57 2.04 -0.86 0.53 117.51 125.41 3fiy h ILE 475 Ca 0.13 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3fiy h ILE 475 Cb 0.04 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3fiy h ILE 475 CO -0.02 0.20 -0.29 0.00 0.00 0.00 0.00 178.15 178.04 3fiy h ALA 476 N 1.11 1.43 0.00 1.87 0.00 -1.05 -2.09 119.26 120.53 3fiy h ALA 476 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fiy h ALA 476 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fiy h ALA 476 CO -0.03 0.42 -0.58 -1.71 0.00 0.00 0.00 179.25 177.34 3fiy n ASN 477 N -4.17 0.56 -3.84 0.00 4.05 -0.26 -4.95 115.26 106.67 3fiy n ASN 477 Ca -0.02 -0.29 -0.28 0.00 0.45 0.00 0.00 54.58 54.44 3fiy n ASN 477 Cb 0.36 0.34 0.04 0.00 1.23 0.00 0.00 39.78 41.75 3fiy n ASN 477 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3fiy n ASN 478 N -1.57 -4.68 0.00 1.20 5.15 0.17 -4.85 115.26 110.69 3fiy n ASN 478 Ca 0.05 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 3fiy n ASN 478 Cb 0.35 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.49 3fiy n ASN 478 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fiy n GLY 479 N -1.73 0.54 3.80 8.20 0.00 -0.46 -0.35 105.19 115.19 3fiy n GLY 479 Ca -0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3fiy n GLY 479 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fiy s LEU 480 N 0.00 3.61 0.00 0.99 1.43 -1.26 -4.49 118.68 118.96 3fiy s LEU 480 Ca 0.00 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3fiy s LEU 480 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3fiy s LEU 480 CO 0.00 -1.01 0.00 -0.62 0.23 0.00 0.00 176.35 174.95