#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fiz n LYS 42 N 0.00 2.14 -1.68 1.64 5.02 -1.26 -4.66 118.16 119.36 3fiz n LYS 42 Ca 0.00 0.76 -0.29 0.00 -2.02 0.00 0.00 58.31 56.76 3fiz n LYS 42 Cb 0.00 -2.43 0.13 0.00 -0.02 0.00 0.00 35.03 32.72 3fiz n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fiz s PHE 43 N -1.15 2.40 0.66 2.13 0.40 -0.24 -5.00 117.98 117.18 3fiz s PHE 43 Ca 0.58 0.72 -0.17 0.00 -0.60 0.00 0.00 56.93 57.46 3fiz s PHE 43 Cb -0.52 -3.53 -0.00 0.00 0.51 0.00 0.00 43.02 39.48 3fiz s PHE 43 CO 0.60 -2.31 1.26 -2.14 0.70 0.00 0.00 175.22 173.34 3fiz s PRO 44 N -5.47 2.50 0.17 0.24 0.02 -1.26 -4.91 135.00 126.29 3fiz s PRO 44 Ca 0.65 1.95 -0.32 0.00 0.02 0.00 0.00 61.00 63.31 3fiz s PRO 44 Cb -0.12 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 3fiz s PRO 44 CO 0.52 -1.60 1.79 -1.91 -0.33 0.00 0.00 177.00 175.47 3fiz n GLU 45 N -2.06 2.82 -0.56 5.54 0.00 -1.26 -1.59 120.64 123.53 3fiz n GLU 45 Ca 0.15 1.02 0.00 0.00 0.00 0.00 0.00 57.16 58.33 3fiz n GLU 45 Cb 0.49 -2.90 0.00 0.00 0.00 0.00 0.00 31.44 29.03 3fiz n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fiz n GLY 46 N 4.13 0.77 3.64 8.31 0.00 -1.26 -5.02 105.19 115.75 3fiz n GLY 46 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3fiz n GLY 46 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fiz n PHE 47 N -2.13 1.83 -2.95 1.61 7.35 -0.62 -4.89 117.46 117.67 3fiz n PHE 47 Ca 0.00 0.53 -0.44 0.00 -0.76 0.00 0.00 57.45 56.79 3fiz n PHE 47 Cb 0.00 -2.39 -0.04 0.00 0.35 0.00 0.00 39.48 37.41 3fiz n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3fiz s LEU 48 N 0.26 4.81 -0.11 -2.13 1.43 -0.68 -4.98 118.68 117.28 3fiz s LEU 48 Ca 0.69 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.24 3fiz s LEU 48 Cb -0.72 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 3fiz s LEU 48 CO 0.52 -1.28 0.66 0.26 0.23 0.00 0.00 176.35 176.74 3fiz s TRP 49 N 3.39 3.51 0.00 0.29 0.52 -1.26 -1.60 118.94 123.79 3fiz s TRP 49 Ca 0.21 1.13 0.00 0.00 0.02 0.00 0.00 56.10 57.46 3fiz s TRP 49 Cb -0.17 -2.78 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 3fiz s TRP 49 CO 0.05 0.02 0.00 0.41 0.02 0.00 0.00 176.95 177.45 3fiz n GLY 50 N 3.30 3.40 3.14 0.98 0.00 0.07 -0.74 105.19 115.34 3fiz n GLY 50 Ca -0.02 -1.27 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 3fiz n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiz s ALA 51 N -1.52 0.03 0.15 4.61 0.00 -1.23 -1.85 121.76 121.96 3fiz s ALA 51 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3fiz s ALA 51 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3fiz s ALA 51 CO 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 175.76 175.25 3fiz s ALA 52 N -3.42 1.52 0.31 0.00 0.00 -0.72 -1.36 121.76 118.08 3fiz s ALA 52 Ca 0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 3fiz s ALA 52 Cb 0.04 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3fiz s ALA 52 CO -0.08 -0.07 0.48 0.25 0.00 0.00 0.00 175.76 176.33 3fiz n THR 53 N -0.19 0.00 -3.85 0.00 -2.24 -0.31 -2.37 114.28 105.33 3fiz n THR 53 Ca -0.10 -1.35 -0.12 0.00 -2.27 0.00 0.00 64.05 60.22 3fiz n THR 53 Cb 0.60 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 3fiz n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fiz s SER 54 N -2.82 -0.05 0.15 3.42 1.04 -1.26 -3.88 113.70 110.30 3fiz s SER 54 Ca 0.22 0.01 -0.28 0.00 0.48 0.00 0.00 55.95 56.39 3fiz s SER 54 Cb -0.02 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3fiz s SER 54 CO 0.16 -0.23 1.57 0.77 0.98 0.00 0.00 173.24 176.49 3fiz h SER 55 N 4.99 -1.46 0.47 7.02 4.64 -1.91 -2.16 113.55 125.13 3fiz h SER 55 Ca -0.28 0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 3fiz h SER 55 Cb 1.20 0.63 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 3fiz h SER 55 CO 0.41 -0.37 -0.20 0.22 -0.87 0.00 0.00 176.83 176.01 3fiz h TYR 56 N -0.34 0.00 0.00 4.77 3.20 -1.92 -0.89 116.97 121.79 3fiz h TYR 56 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3fiz h TYR 56 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3fiz h TYR 56 CO -0.63 0.20 0.00 1.96 -1.64 0.00 0.00 178.16 178.05 3fiz h GLN 57 N 0.00 0.00 0.00 1.82 4.20 -1.68 -3.41 115.11 116.04 3fiz h GLN 57 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fiz h GLN 57 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3fiz h GLN 57 CO 0.03 0.00 -0.39 0.44 -0.67 0.00 0.00 178.83 178.24 3fiz n ILE 58 N -2.86 0.00 0.19 2.54 -5.35 -1.07 -2.01 119.36 110.80 3fiz n ILE 58 Ca 0.04 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.37 3fiz n ILE 58 Cb 0.47 -0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 38.28 3fiz n ILE 58 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3fiz h GLU 59 N 0.00 -0.44 0.00 6.28 5.08 -1.39 -1.04 114.58 123.07 3fiz h GLU 59 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fiz h GLU 59 Cb 0.14 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fiz h GLU 59 CO 0.00 -0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.20 3fiz n GLY 60 N -0.94 -0.29 4.37 -3.84 0.00 -1.22 -1.31 105.19 101.96 3fiz n GLY 60 Ca -0.10 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 3fiz n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiz n ALA 61 N 4.78 -1.79 0.23 4.61 0.00 -1.13 -4.77 120.51 122.44 3fiz n ALA 61 Ca 0.00 -0.35 0.16 0.00 0.00 0.00 0.00 53.44 53.25 3fiz n ALA 61 Cb 0.00 -1.32 0.84 0.00 0.00 0.00 0.00 19.45 18.97 3fiz n ALA 61 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3fiz h TRP 62 N -1.54 0.00 0.00 0.00 5.08 -1.84 -2.92 115.95 114.72 3fiz h TRP 62 Ca -0.64 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.30 3fiz h TRP 62 Cb 1.40 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.49 3fiz h TRP 62 CO 0.57 0.00 -0.42 0.27 -1.28 0.00 0.00 178.44 177.58 3fiz n ASN 63 N -3.84 1.49 -4.99 0.11 0.23 -1.26 -4.76 115.26 102.24 3fiz n ASN 63 Ca 0.01 -2.95 -0.19 0.00 -0.53 0.00 0.00 54.58 50.92 3fiz n ASN 63 Cb 0.27 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 3fiz n ASN 63 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3fiz s GLU 64 N -1.96 3.00 -1.80 -3.83 2.02 -1.11 -4.57 118.70 110.45 3fiz s GLU 64 Ca 0.28 -1.02 -0.22 0.00 0.02 0.00 0.00 54.97 54.03 3fiz s GLU 64 Cb 0.27 -2.76 0.21 0.00 0.10 0.00 0.00 34.13 31.95 3fiz s GLU 64 CO -0.04 -0.10 0.64 -0.25 0.02 0.00 0.00 175.26 175.53 3fiz n ASP 65 N -1.77 -2.25 0.00 -0.19 8.00 -1.26 -0.33 116.55 118.74 3fiz n ASP 65 Ca 0.03 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3fiz n ASP 65 Cb 0.58 -1.92 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 3fiz n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fiz n GLY 66 N -1.14 0.69 3.70 0.44 0.00 -1.26 -4.48 105.19 103.14 3fiz n GLY 66 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3fiz n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fiz n LYS 67 N -2.21 2.27 -2.16 1.61 4.81 0.54 -4.67 118.16 118.35 3fiz n LYS 67 Ca 0.00 0.81 -0.27 0.00 -0.87 0.00 0.00 58.31 57.98 3fiz n LYS 67 Cb 0.03 -2.50 0.09 0.00 0.02 0.00 0.00 35.03 32.67 3fiz n LYS 67 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3fiz s GLY 68 N 0.32 1.70 0.14 3.14 0.00 0.09 -4.68 107.32 108.03 3fiz s GLY 68 Ca 0.66 -1.00 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 3fiz s GLY 68 CO 0.50 -0.52 0.88 1.85 0.00 0.00 0.00 173.10 175.81 3fiz s GLU 69 N -5.37 4.67 0.47 2.90 2.12 -1.26 -4.76 118.70 117.46 3fiz s GLU 69 Ca 0.63 1.32 0.07 0.00 0.36 0.00 0.00 54.97 57.35 3fiz s GLU 69 Cb -0.09 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 3fiz s GLU 69 CO 0.46 0.38 0.37 -1.54 -0.54 0.00 0.00 175.26 174.39 3fiz s SER 70 N -0.54 4.81 0.44 -1.70 1.04 -1.26 0.01 113.70 116.49 3fiz s SER 70 Ca 0.41 -0.97 0.30 0.00 0.48 0.00 0.00 55.95 56.17 3fiz s SER 70 Cb -0.23 -0.19 1.34 0.00 0.10 0.00 0.00 66.02 67.03 3fiz s SER 70 CO 0.28 -0.81 1.90 0.16 0.98 0.00 0.00 173.24 175.75 3fiz h ILE 71 N 0.97 0.00 0.00 -1.02 3.07 -0.50 -2.49 117.51 117.54 3fiz h ILE 71 Ca -0.40 -0.31 -0.16 0.00 1.55 0.00 0.00 64.86 65.55 3fiz h ILE 71 Cb 1.28 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 38.97 3fiz h ILE 71 CO 0.59 0.00 -1.19 -0.50 -1.05 0.00 0.00 178.15 175.99 3fiz h TRP 72 N 0.00 0.00 -0.43 0.16 4.06 -1.88 -0.64 115.95 117.22 3fiz h TRP 72 Ca 0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3fiz h TRP 72 Cb 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.50 3fiz h TRP 72 CO 0.00 0.58 0.03 -0.44 -3.56 0.00 0.00 178.44 175.05 3fiz h ASP 73 N 0.00 0.72 -0.17 -3.49 3.32 -1.84 -1.85 116.42 113.11 3fiz h ASP 73 Ca -0.12 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 3fiz h ASP 73 Cb 1.55 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 3fiz h ASP 73 CO 0.05 0.83 -0.11 0.03 -1.72 0.00 0.00 179.24 178.32 3fiz h ARG 74 N 0.58 0.37 -0.89 3.56 2.47 -1.55 -3.22 114.38 115.70 3fiz h ARG 74 Ca 0.13 -0.17 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 3fiz h ARG 74 Cb 0.44 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 3fiz h ARG 74 CO 0.02 0.70 0.58 0.35 0.56 0.00 0.00 179.97 182.18 3fiz h PHE 75 N 0.04 1.02 -0.04 3.04 3.57 -1.03 -2.26 116.94 121.27 3fiz h PHE 75 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fiz h PHE 75 Cb 0.60 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3fiz h PHE 75 CO 0.07 0.52 0.00 0.25 -2.23 0.00 0.00 178.31 176.92 3fiz n THR 76 N -4.50 0.05 0.36 4.41 -2.24 -0.70 -2.84 114.28 108.82 3fiz n THR 76 Ca 0.14 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 3fiz n THR 76 Cb 0.22 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 3fiz n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3fiz n ARG 77 N -0.51 0.42 -2.60 -0.78 1.74 -0.85 -4.80 116.66 109.28 3fiz n ARG 77 Ca 0.11 -0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 3fiz n ARG 77 Cb 0.09 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 3fiz n ARG 77 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fiz s ILE 78 N -3.32 4.43 0.42 0.55 1.01 -1.13 -5.00 121.20 118.16 3fiz s ILE 78 Ca -0.01 1.64 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 3fiz s ILE 78 Cb 0.14 -4.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 3fiz s ILE 78 CO 0.88 -0.50 1.40 -2.16 0.00 0.00 0.00 174.94 174.55 3fiz s PRO 79 N 3.77 3.86 0.00 2.79 0.04 -1.26 -3.10 135.00 141.10 3fiz s PRO 79 Ca 0.47 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.87 3fiz s PRO 79 Cb -0.13 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.66 3fiz s PRO 79 CO 0.17 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3fiz n GLY 80 N 0.59 3.25 0.13 0.56 0.00 -1.26 -4.90 105.19 103.56 3fiz n GLY 80 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 3fiz n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fiz h LYS 81 N 1.96 0.13 -5.84 1.61 1.79 -1.88 -3.45 116.57 110.89 3fiz h LYS 81 Ca 0.00 -0.13 -0.67 0.00 -2.18 0.00 0.00 60.65 57.67 3fiz h LYS 81 Cb 0.00 0.03 -0.32 0.00 -1.58 0.00 0.00 32.23 30.37 3fiz h LYS 81 CO 0.00 0.84 -0.88 0.42 -1.08 0.00 0.00 179.45 178.76 3fiz s ILE 82 N -3.35 1.95 0.43 1.86 -1.09 -1.26 -4.80 121.20 114.94 3fiz s ILE 82 Ca -0.02 -1.01 -0.25 0.00 -2.23 0.00 0.00 60.65 57.14 3fiz s ILE 82 Cb 0.11 -1.66 -0.09 0.00 -1.58 0.00 0.00 42.46 39.24 3fiz s ILE 82 CO 0.81 0.54 1.33 0.29 -1.23 0.00 0.00 174.94 176.68 3fiz n LYS 83 N 3.03 2.05 -0.94 2.79 5.02 -0.82 -1.36 118.16 127.93 3fiz n LYS 83 Ca -0.18 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3fiz n LYS 83 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 3fiz n LYS 83 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3fiz n ASN 84 N 0.06 -5.51 -2.61 4.39 5.15 -1.26 -2.37 115.26 113.11 3fiz n ASN 84 Ca 0.06 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.84 3fiz n ASN 84 Cb 0.40 -3.33 0.02 0.00 -0.53 0.00 0.00 39.78 36.34 3fiz n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fiz n GLY 85 N 0.84 -0.43 3.84 8.20 0.00 -0.47 -4.98 105.19 112.20 3fiz n GLY 85 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3fiz n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fiz s ASP 86 N -2.53 6.25 0.27 1.61 1.01 -1.00 -5.04 116.67 117.25 3fiz s ASP 86 Ca 0.19 1.57 -0.02 0.00 0.71 0.00 0.00 52.55 55.00 3fiz s ASP 86 Cb -0.08 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3fiz s ASP 86 CO 0.23 -0.85 0.32 -0.94 0.21 0.00 0.00 175.17 174.14 3fiz s SER 87 N -3.40 0.58 -0.14 0.27 1.04 -1.26 -4.83 113.70 105.96 3fiz s SER 87 Ca 0.59 -1.39 0.14 0.00 0.48 0.00 0.00 55.95 55.76 3fiz s SER 87 Cb -0.12 0.53 0.64 0.00 0.10 0.00 0.00 66.02 67.17 3fiz s SER 87 CO 0.41 -1.06 1.51 0.61 0.98 0.00 0.00 173.24 175.69 3fiz n GLY 88 N -0.43 2.48 0.27 7.32 0.00 -1.26 -4.53 105.19 109.04 3fiz n GLY 88 Ca 0.02 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.36 3fiz n GLY 88 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fiz h ASP 89 N 3.38 -0.21 0.00 1.61 3.32 -1.94 -3.34 116.42 119.25 3fiz h ASP 89 Ca 0.00 0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 3fiz h ASP 89 Cb 1.47 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 41.28 3fiz h ASP 89 CO 0.29 -0.13 -1.54 0.52 -1.72 0.00 0.00 179.24 176.66 3fiz n VAL 90 N -5.27 0.54 -0.01 -1.35 0.31 -1.26 -2.85 118.33 108.44 3fiz n VAL 90 Ca 0.14 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3fiz n VAL 90 Cb 0.47 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3fiz n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fiz n ALA 91 N -3.19 0.00 1.46 3.52 0.00 -1.25 -0.52 120.51 120.54 3fiz n ALA 91 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 3fiz n ALA 91 Cb 0.65 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.59 3fiz n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fiz n ASP 93 N 0.05 -4.43 0.19 0.00 2.03 0.32 -4.84 116.55 109.86 3fiz n ASP 93 Ca 0.18 -0.14 0.05 0.00 0.52 0.00 0.00 54.79 55.39 3fiz n ASP 93 Cb 0.29 -3.68 0.49 0.00 -0.72 0.00 0.00 41.12 37.51 3fiz n ASP 93 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 3fiz h HIS 94 N -0.66 0.10 -0.81 -0.67 -0.00 -0.66 -1.44 115.15 111.01 3fiz h HIS 94 Ca -0.41 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.03 3fiz h HIS 94 Cb 1.29 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 28.61 3fiz h HIS 94 CO 0.64 0.21 0.53 -0.92 -0.00 0.00 0.00 177.93 178.40 3fiz h TYR 95 N 0.10 0.86 0.00 5.26 3.20 -1.43 0.21 116.97 125.17 3fiz h TYR 95 Ca 0.02 0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.63 3fiz h TYR 95 Cb 0.26 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 3fiz h TYR 95 CO 0.00 0.43 -1.75 0.72 -1.64 0.00 0.00 178.16 175.92 3fiz n HIS 96 N -4.50 0.89 -0.96 -3.82 8.25 -0.95 -4.42 115.22 109.72 3fiz n HIS 96 Ca 0.13 0.32 0.08 0.00 -0.26 0.00 0.00 57.72 57.99 3fiz n HIS 96 Cb 0.26 -1.15 0.29 0.00 1.12 0.00 0.00 29.99 30.51 3fiz n HIS 96 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3fiz n ARG 97 N -2.99 3.39 0.09 -0.41 1.74 -0.59 -4.72 116.66 113.16 3fiz n ARG 97 Ca -0.18 -2.91 0.17 0.00 -0.77 0.00 0.00 57.85 54.16 3fiz n ARG 97 Cb 1.04 -1.93 0.69 0.00 -1.02 0.00 0.00 32.46 31.23 3fiz n ARG 97 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3fiz h TYR 98 N 2.34 0.00 -0.29 -1.55 -0.00 -1.17 -1.16 116.97 115.15 3fiz h TYR 98 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.62 3fiz h TYR 98 Cb 1.56 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.27 3fiz h TYR 98 CO 0.63 0.00 -0.27 0.93 -0.00 0.00 0.00 178.16 179.45 3fiz h GLU 99 N 0.00 0.57 -0.40 0.10 5.08 -1.87 0.21 114.58 118.27 3fiz h GLU 99 Ca 0.17 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3fiz h GLU 99 Cb 0.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3fiz h GLU 99 CO -0.00 0.79 -0.13 0.37 -1.00 0.00 0.00 179.01 179.04 3fiz h GLN 100 N 0.50 0.80 -0.10 2.33 4.15 -1.59 -2.42 115.11 118.77 3fiz h GLN 100 Ca 0.07 -0.32 -0.09 0.00 0.77 0.00 0.00 58.65 59.08 3fiz h GLN 100 Cb 0.73 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 3fiz h GLN 100 CO 0.06 0.94 -0.32 -0.44 -1.93 0.00 0.00 178.83 177.14 3fiz h ASP 101 N 0.61 0.20 0.29 -0.69 3.32 -1.11 -1.89 116.42 117.15 3fiz h ASP 101 Ca 0.10 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3fiz h ASP 101 Cb 0.67 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3fiz h ASP 101 CO 0.05 0.52 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.71 3fiz h LEU 102 N 0.18 0.04 -0.11 1.55 3.38 -0.35 -1.63 115.31 118.36 3fiz h LEU 102 Ca 0.02 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 3fiz h LEU 102 Cb 0.66 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.42 3fiz h LEU 102 CO 0.05 0.35 -0.90 -0.78 0.09 0.00 0.00 178.44 177.25 3fiz h ASP 103 N 0.03 0.88 -0.79 -0.43 1.82 -0.88 -2.76 116.42 114.29 3fiz h ASP 103 Ca 0.00 -0.64 0.00 0.00 -0.39 0.00 0.00 57.03 56.01 3fiz h ASP 103 Cb 0.57 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.27 3fiz h ASP 103 CO 0.04 1.43 0.50 -0.07 -1.61 0.00 0.00 179.24 179.53 3fiz h LEU 104 N 0.45 0.94 -0.62 2.28 3.38 -0.91 0.14 115.31 120.96 3fiz h LEU 104 Ca -0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3fiz h LEU 104 Cb 1.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 3fiz h LEU 104 CO 0.18 0.70 0.30 0.24 0.09 0.00 0.00 178.44 179.95 3fiz h MET 105 N 1.09 0.90 -0.64 1.13 2.86 -1.26 -2.14 114.93 116.86 3fiz h MET 105 Ca 0.29 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 3fiz h MET 105 Cb -0.07 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 3fiz h MET 105 CO -0.06 0.72 0.22 -0.09 1.06 0.00 0.00 176.91 178.76 3fiz h ARG 106 N 0.85 0.97 -0.67 1.72 2.43 -0.98 -2.04 114.38 116.67 3fiz h ARG 106 Ca 0.21 -0.20 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3fiz h ARG 106 Cb 0.12 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3fiz h ARG 106 CO -0.03 0.84 0.44 1.96 -1.51 0.00 0.00 179.97 181.68 3fiz h GLN 107 N 0.91 0.55 0.00 0.20 4.20 -0.21 -0.83 115.11 119.92 3fiz h GLN 107 Ca 0.21 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3fiz h GLN 107 Cb 0.26 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3fiz h GLN 107 CO -0.01 0.36 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.02 3fiz h LEU 108 N 0.57 0.00 0.01 1.46 3.38 -0.99 -3.48 115.31 116.26 3fiz h LEU 108 Ca 0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3fiz h LEU 108 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3fiz h LEU 108 CO -0.10 0.05 -0.00 0.61 0.09 0.00 0.00 178.44 179.09 3fiz n GLY 109 N 1.28 0.38 3.68 0.83 0.00 -0.32 -4.54 105.19 106.50 3fiz n GLY 109 Ca 0.04 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.59 3fiz n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fiz n LEU 110 N -0.01 3.20 0.09 0.99 4.77 -1.05 -4.88 117.00 120.11 3fiz n LEU 110 Ca -0.00 1.17 0.07 0.00 -0.03 0.00 0.00 56.01 57.22 3fiz n LEU 110 Cb 0.17 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 39.81 3fiz n LEU 110 CO 0.00 -0.53 0.02 0.11 -1.33 0.00 0.00 177.39 175.66 3fiz h LYS 111 N 3.53 0.00 -3.35 3.23 1.79 -1.25 -3.43 116.57 117.09 3fiz h LYS 111 Ca -0.45 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.95 3fiz h LYS 111 Cb 1.28 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 3fiz h LYS 111 CO 0.70 0.12 -0.16 -0.08 -1.08 0.00 0.00 179.45 178.96 3fiz s THR 112 N -3.19 0.08 -0.04 -0.16 -1.32 -1.07 -0.77 115.64 109.17 3fiz s THR 112 Ca -0.00 -0.65 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 3fiz s THR 112 Cb 0.09 -1.10 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 3fiz s THR 112 CO 0.78 -0.36 -0.00 -0.47 -2.21 0.00 0.00 174.62 172.36 3fiz s TYR 113 N -3.26 0.41 -0.23 9.09 5.04 -0.72 -3.48 117.35 124.21 3fiz s TYR 113 Ca -0.00 -0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 54.52 3fiz s TYR 113 Cb 0.01 -0.51 -0.03 0.00 0.35 0.00 0.00 41.96 41.78 3fiz s TYR 113 CO -0.08 -0.17 0.08 0.50 -1.34 0.00 0.00 175.55 174.54 3fiz s ARG 114 N 1.22 3.79 0.26 4.97 3.52 -0.46 -1.19 118.95 131.04 3fiz s ARG 114 Ca -0.07 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 3fiz s ARG 114 Cb -0.13 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3fiz s ARG 114 CO -0.02 -0.02 0.14 -0.59 -0.81 0.00 0.00 175.30 174.00 3fiz s PHE 115 N 1.19 1.45 0.21 5.12 -0.71 -0.65 -1.16 117.98 123.43 3fiz s PHE 115 Ca 0.05 -1.34 0.12 0.00 -1.04 0.00 0.00 56.93 54.71 3fiz s PHE 115 Cb -0.14 -0.76 -0.05 0.00 -1.21 0.00 0.00 43.02 40.86 3fiz s PHE 115 CO 0.04 -0.54 -0.23 -1.54 -1.34 0.00 0.00 175.22 171.61 3fiz s SER 116 N -3.29 3.47 -0.19 1.98 1.04 -1.25 -0.23 113.70 115.23 3fiz s SER 116 Ca 0.38 -0.90 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 3fiz s SER 116 Cb 0.06 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.87 3fiz s SER 116 CO 0.15 0.11 0.11 -0.63 0.98 0.00 0.00 173.24 173.96 3fiz s ILE 117 N -1.83 5.27 -0.59 -1.02 1.01 0.32 -3.74 121.20 120.62 3fiz s ILE 117 Ca 0.23 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.74 3fiz s ILE 117 Cb -0.07 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 39.03 3fiz s ILE 117 CO 0.11 0.45 1.26 0.00 0.00 0.00 0.00 174.94 176.76 3fiz s ALA 118 N 0.28 2.92 0.24 9.38 0.00 -1.26 -4.67 121.76 128.65 3fiz s ALA 118 Ca 0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3fiz s ALA 118 Cb -0.11 -4.08 0.40 0.00 0.00 0.00 0.00 23.12 19.32 3fiz s ALA 118 CO -0.01 -2.81 1.75 2.35 0.00 0.00 0.00 175.76 177.04 3fiz h TRP 119 N 10.00 0.58 0.00 0.00 2.91 -1.83 -0.68 115.95 126.93 3fiz h TRP 119 Ca -0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.79 3fiz h TRP 119 Cb 1.06 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 3fiz h TRP 119 CO 1.05 0.15 0.00 0.00 -1.03 0.00 0.00 178.44 178.61 3fiz h ALA 120 N 1.49 1.00 0.00 2.65 0.00 -1.79 0.28 119.26 122.89 3fiz h ALA 120 Ca 0.38 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.11 3fiz h ALA 120 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3fiz h ALA 120 CO -0.33 0.00 -1.00 0.00 0.00 0.00 0.00 179.25 177.92 3fiz h ARG 121 N 0.00 0.00 0.16 0.00 3.08 -1.42 0.32 114.38 116.52 3fiz h ARG 121 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3fiz h ARG 121 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3fiz h ARG 121 CO 0.00 0.71 -1.80 0.82 -1.07 0.00 0.00 179.97 178.63 3fiz h ILE 122 N 0.00 0.86 -2.74 2.04 1.08 -1.06 -3.35 117.51 114.34 3fiz h ILE 122 Ca -0.06 -2.50 -0.60 0.00 -0.39 0.00 0.00 64.86 61.31 3fiz h ILE 122 Cb 1.67 2.68 -0.39 0.00 -3.07 0.00 0.00 36.82 37.71 3fiz h ILE 122 CO 0.10 0.86 -0.81 -1.10 -0.69 0.00 0.00 178.15 176.50 3fiz s GLN 123 N -2.58 0.95 0.48 2.37 -0.21 -0.08 -0.03 119.66 120.57 3fiz s GLN 123 Ca -0.17 -1.75 0.31 0.00 0.02 0.00 0.00 55.36 53.77 3fiz s GLN 123 Cb 0.06 -1.81 1.22 0.00 1.00 0.00 0.00 33.01 33.48 3fiz s GLN 123 CO 0.83 -1.21 1.91 -1.00 -2.12 0.00 0.00 175.29 173.69 3fiz h PRO 124 N 6.70 0.00 -4.20 2.91 0.13 -1.76 -3.39 132.00 132.39 3fiz h PRO 124 Ca 0.06 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.93 3fiz h PRO 124 Cb 0.94 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 3fiz h PRO 124 CO 0.38 0.00 -0.26 0.16 -0.23 0.00 0.00 178.00 178.05 3fiz s ASP 125 N -5.44 0.77 0.24 1.44 3.84 -1.26 -4.35 116.67 111.91 3fiz s ASP 125 Ca 0.02 -1.42 0.15 0.00 -0.00 0.00 0.00 52.55 51.29 3fiz s ASP 125 Cb 0.09 0.61 0.80 0.00 -1.38 0.00 0.00 42.92 43.03 3fiz s ASP 125 CO 0.53 -1.20 1.42 -1.54 -0.00 0.00 0.00 175.17 174.38 3fiz n SER 126 N -1.14 0.38 0.25 2.11 3.41 -1.26 -1.33 113.62 116.03 3fiz n SER 126 Ca 0.01 0.65 0.16 0.00 -0.26 0.00 0.00 58.87 59.43 3fiz n SER 126 Cb 0.62 -0.68 0.54 0.00 -0.26 0.00 0.00 64.21 64.44 3fiz n SER 126 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3fiz h SER 127 N 0.00 0.00 -0.02 4.04 4.64 -1.98 -3.46 113.55 116.77 3fiz h SER 127 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3fiz h SER 127 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3fiz h SER 127 CO 0.00 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 176.49 3fiz n ARG 128 N -2.98 -1.08 -2.34 4.77 1.74 -0.44 -4.98 116.66 111.34 3fiz n ARG 128 Ca 0.02 0.29 -0.39 0.00 -0.77 0.00 0.00 57.85 57.00 3fiz n ARG 128 Cb 0.35 -4.12 -0.03 0.00 -1.02 0.00 0.00 32.46 27.64 3fiz n ARG 128 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3fiz s GLN 129 N -1.15 4.32 0.00 5.56 -1.52 -1.26 -4.98 119.66 120.63 3fiz s GLN 129 Ca 0.00 1.88 -0.30 0.00 -1.95 0.00 0.00 55.36 54.99 3fiz s GLN 129 Cb 0.00 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 3fiz s GLN 129 CO 0.00 -0.10 1.13 0.42 -0.25 0.00 0.00 175.29 176.49 3fiz s ILE 130 N -1.29 4.37 -0.47 1.08 -1.09 -1.26 -4.51 121.20 118.03 3fiz s ILE 130 Ca 0.51 1.69 -0.23 0.00 -2.23 0.00 0.00 60.65 60.39 3fiz s ILE 130 Cb -0.32 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.50 3fiz s ILE 130 CO 0.42 0.09 0.81 0.21 -1.23 0.00 0.00 174.94 175.23 3fiz s ASN 131 N 1.15 6.40 0.48 3.58 2.47 0.95 -4.93 114.94 125.05 3fiz s ASN 131 Ca 0.55 -0.16 0.19 0.00 0.42 0.00 0.00 52.86 53.87 3fiz s ASN 131 Cb -0.25 -2.39 1.19 0.00 -1.45 0.00 0.00 41.25 38.34 3fiz s ASN 131 CO 0.26 -0.97 2.04 1.56 -3.72 0.00 0.00 177.10 176.27 3fiz h GLN 132 N 9.03 0.00 -0.25 0.43 1.08 -1.89 -2.62 115.11 120.90 3fiz h GLN 132 Ca -0.25 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.75 3fiz h GLN 132 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3fiz h GLN 132 CO 0.98 0.15 -0.62 0.00 -0.95 0.00 0.00 178.83 178.39 3fiz h ARG 133 N 0.00 0.85 -0.60 1.46 3.08 -1.90 -0.89 114.38 116.39 3fiz h ARG 133 Ca -0.00 -0.59 -0.10 0.00 0.07 0.00 0.00 59.98 59.37 3fiz h ARG 133 Cb 0.30 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3fiz h ARG 133 CO 0.02 1.21 -0.01 0.78 -1.07 0.00 0.00 179.97 180.90 3fiz h GLY 134 N 0.66 1.13 1.69 0.04 0.00 -1.65 -2.67 103.07 102.27 3fiz h GLY 134 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.38 3fiz h GLY 134 CO 0.13 0.77 -0.37 -2.00 0.00 0.00 0.00 176.54 175.07 3fiz h LEU 135 N 0.96 0.36 -1.01 3.11 5.85 -1.42 -2.85 115.31 120.31 3fiz h LEU 135 Ca 0.17 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fiz h LEU 135 Cb 0.56 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3fiz h LEU 135 CO 0.03 0.70 0.66 0.44 -0.34 0.00 0.00 178.44 179.94 3fiz h ASP 136 N 0.30 1.14 -0.09 1.25 3.32 -0.82 -1.99 116.42 119.53 3fiz h ASP 136 Ca 0.03 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3fiz h ASP 136 Cb 0.79 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3fiz h ASP 136 CO 0.06 0.81 -0.06 0.15 -1.72 0.00 0.00 179.24 178.48 3fiz h PHE 137 N 1.33 -0.14 -0.02 4.55 3.57 -1.29 0.74 116.94 125.70 3fiz h PHE 137 Ca 0.38 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 3fiz h PHE 137 Cb -0.11 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3fiz h PHE 137 CO -0.00 -0.09 -0.41 1.88 -2.23 0.00 0.00 178.31 177.46 3fiz h TYR 138 N -0.06 0.05 -0.52 0.41 0.05 -1.53 0.07 116.97 115.43 3fiz h TYR 138 Ca 0.06 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.70 3fiz h TYR 138 Cb 0.14 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 3fiz h TYR 138 CO -0.17 0.45 -0.15 -0.09 -1.05 0.00 0.00 178.16 177.14 3fiz h ARG 139 N 0.04 1.03 -0.40 4.88 2.43 -0.88 -1.74 114.38 119.73 3fiz h ARG 139 Ca 0.00 -0.41 -0.13 0.00 -0.81 0.00 0.00 59.98 58.64 3fiz h ARG 139 Cb 0.74 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3fiz h ARG 139 CO 0.05 1.09 -0.26 0.00 -1.51 0.00 0.00 179.97 179.35 3fiz h ARG 140 N 0.90 0.84 0.25 0.20 3.08 -0.29 -1.52 114.38 117.84 3fiz h ARG 140 Ca 0.13 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 3fiz h ARG 140 Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3fiz h ARG 140 CO 0.06 1.00 -0.12 1.25 -1.07 0.00 0.00 179.97 181.09 3fiz h LEU 141 N 0.72 -0.29 -1.11 3.04 5.85 -0.83 -1.78 115.31 120.91 3fiz h LEU 141 Ca 0.09 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3fiz h LEU 141 Cb 0.80 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3fiz h LEU 141 CO 0.07 -0.10 0.53 0.58 -0.34 0.00 0.00 178.44 179.18 3fiz h VAL 142 N -0.46 1.23 -0.54 1.05 2.07 -1.32 -1.44 116.25 116.83 3fiz h VAL 142 Ca -0.03 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 3fiz h VAL 142 Cb 0.35 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3fiz h VAL 142 CO 0.06 0.23 0.06 -0.08 0.02 0.00 0.00 177.57 177.86 3fiz h GLU 143 N 1.16 0.88 -0.27 1.57 4.81 -1.17 -2.33 114.58 119.23 3fiz h GLU 143 Ca 0.31 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 3fiz h GLU 143 Cb -0.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3fiz h GLU 143 CO -0.06 0.83 -0.33 0.78 -0.73 0.00 0.00 179.01 179.50 3fiz h GLY 144 N 0.99 0.64 0.91 1.92 0.00 -0.57 -2.13 103.07 104.83 3fiz h GLY 144 Ca 0.17 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3fiz h GLY 144 CO 0.01 0.53 0.10 1.41 0.00 0.00 0.00 176.54 178.60 3fiz h LEU 145 N 0.50 0.42 -1.13 3.11 3.38 -0.94 -2.57 115.31 118.09 3fiz h LEU 145 Ca 0.06 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3fiz h LEU 145 Cb 0.81 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3fiz h LEU 145 CO 0.07 0.50 -0.10 0.45 0.09 0.00 0.00 178.44 179.44 3fiz h HIS 146 N 0.33 0.52 -0.05 1.13 3.86 -1.37 0.18 115.15 119.74 3fiz h HIS 146 Ca 0.10 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3fiz h HIS 146 Cb 0.22 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3fiz h HIS 146 CO 0.00 0.59 0.04 -0.22 0.86 0.00 0.00 177.93 179.19 3fiz h LYS 147 N 0.46 0.04 -0.37 2.45 1.63 -1.08 -1.81 116.57 117.90 3fiz h LYS 147 Ca 0.09 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 3fiz h LYS 147 Cb 0.46 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3fiz h LYS 147 CO 0.03 0.03 0.00 0.54 -3.45 0.00 0.00 179.45 176.60 3fiz n ARG 148 N -4.53 3.51 -3.75 1.90 1.74 -0.72 -4.97 116.66 109.85 3fiz n ARG 148 Ca -0.02 -2.91 -0.27 0.00 -0.77 0.00 0.00 57.85 53.88 3fiz n ARG 148 Cb 0.11 -1.95 0.06 0.00 -1.02 0.00 0.00 32.46 29.65 3fiz n ARG 148 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3fiz n ASP 149 N -0.09 -5.70 -4.23 0.55 8.00 -0.68 -4.98 116.55 109.41 3fiz n ASP 149 Ca 0.23 -0.65 -0.35 0.00 0.71 0.00 0.00 54.79 54.73 3fiz n ASP 149 Cb 0.96 -4.51 -0.14 0.00 -0.02 0.00 0.00 41.12 37.41 3fiz n ASP 149 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fiz s ILE 150 N -3.31 3.06 0.03 0.53 1.01 0.56 -4.80 121.20 118.28 3fiz s ILE 150 Ca 0.63 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 3fiz s ILE 150 Cb -0.30 -2.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 3fiz s ILE 150 CO 0.78 0.23 1.34 -0.76 0.00 0.00 0.00 174.94 176.53 3fiz s LEU 151 N 1.37 4.33 0.14 2.97 1.43 0.05 -3.89 118.68 125.09 3fiz s LEU 151 Ca 0.02 2.10 -0.28 0.00 -1.03 0.00 0.00 54.13 54.94 3fiz s LEU 151 Cb -0.16 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 3fiz s LEU 151 CO -0.04 -0.65 0.87 -2.84 0.23 0.00 0.00 176.35 173.93 3fiz s PRO 152 N 1.88 4.67 -0.16 1.29 0.02 -1.26 -1.75 135.00 139.69 3fiz s PRO 152 Ca 0.62 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3fiz s PRO 152 Cb -0.31 -3.32 0.03 0.00 0.02 0.00 0.00 34.50 30.92 3fiz s PRO 152 CO 0.27 0.39 -0.11 1.41 -0.33 0.00 0.00 177.00 178.63 3fiz s MET 153 N -0.59 2.04 -0.10 5.54 1.75 -0.34 -3.26 119.30 124.34 3fiz s MET 153 Ca 0.41 -0.60 -0.00 0.00 -1.25 0.00 0.00 55.69 54.25 3fiz s MET 153 Cb -0.23 -2.12 -0.02 0.00 2.84 0.00 0.00 34.83 35.29 3fiz s MET 153 CO 0.28 -0.31 -0.09 0.00 -0.65 0.00 0.00 175.02 174.24 3fiz s ALA 154 N 1.50 2.82 -0.30 4.11 0.00 -0.60 -1.64 121.76 127.66 3fiz s ALA 154 Ca 0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 3fiz s ALA 154 Cb -0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3fiz s ALA 154 CO -0.09 0.39 0.19 0.99 0.00 0.00 0.00 175.76 177.23 3fiz s THR 155 N -0.17 5.09 0.17 0.00 2.01 0.68 -0.44 115.64 122.97 3fiz s THR 155 Ca 0.01 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 3fiz s THR 155 Cb -0.13 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.88 3fiz s THR 155 CO 0.03 0.14 1.56 -0.07 -0.69 0.00 0.00 174.62 175.59 3fiz h LEU 156 N 8.39 0.98 -7.50 4.42 3.38 -0.94 0.92 115.31 124.97 3fiz h LEU 156 Ca -0.34 -0.38 -0.56 0.00 0.09 0.00 0.00 57.88 56.70 3fiz h LEU 156 Cb 1.17 -0.27 -0.39 0.00 0.09 0.00 0.00 40.66 41.26 3fiz h LEU 156 CO 0.59 1.16 -0.78 -0.47 0.09 0.00 0.00 178.44 179.03 3fiz s TYR 157 N -4.63 1.71 -0.45 1.13 5.04 -0.46 -4.40 117.35 115.29 3fiz s TYR 157 Ca -0.11 -1.25 0.07 0.00 -2.44 0.00 0.00 57.07 53.33 3fiz s TYR 157 Cb 0.12 -1.31 0.41 0.00 0.35 0.00 0.00 41.96 41.54 3fiz s TYR 157 CO 0.87 -0.67 1.05 1.58 -1.34 0.00 0.00 175.55 177.03 3fiz n HIS 158 N 4.86 3.15 0.00 4.97 -0.00 -1.26 -1.86 115.22 125.09 3fiz n HIS 158 Ca -0.11 -3.26 0.00 0.00 0.46 0.00 0.00 57.72 54.81 3fiz n HIS 158 Cb 0.46 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 3fiz n HIS 158 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 3fiz n TRP 159 N -0.36 0.00 -2.07 1.57 8.01 -1.26 -4.86 117.44 118.47 3fiz n TRP 159 Ca 0.33 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.10 3fiz n TRP 159 Cb 0.63 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 3fiz n TRP 159 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3fiz n ASP 160 N 0.18 4.48 -4.75 -0.99 5.75 -1.26 -4.82 116.55 115.14 3fiz n ASP 160 Ca 0.00 -2.96 -0.41 0.00 -0.01 0.00 0.00 54.79 51.41 3fiz n ASP 160 Cb 0.00 -1.59 -0.02 0.00 -1.03 0.00 0.00 41.12 38.48 3fiz n ASP 160 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3fiz s LEU 161 N 1.33 4.40 0.36 -2.12 2.96 -1.26 -4.46 118.68 119.89 3fiz s LEU 161 Ca 0.44 2.62 -0.28 0.00 -0.22 0.00 0.00 54.13 56.69 3fiz s LEU 161 Cb 0.11 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 43.07 3fiz s LEU 161 CO -0.04 -0.64 1.40 -2.84 -1.32 0.00 0.00 176.35 172.91 3fiz s PRO 162 N -0.61 4.18 0.46 0.98 0.02 -1.26 0.22 135.00 138.99 3fiz s PRO 162 Ca 0.57 2.39 0.12 0.00 0.02 0.00 0.00 61.00 64.10 3fiz s PRO 162 Cb -0.40 -2.98 1.07 0.00 0.02 0.00 0.00 34.50 32.20 3fiz s PRO 162 CO 0.44 -0.40 2.08 0.37 -0.33 0.00 0.00 177.00 179.16 3fiz h GLN 163 N 3.11 0.29 -0.21 5.54 5.75 -0.66 -1.64 115.11 127.28 3fiz h GLN 163 Ca -0.50 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 57.92 3fiz h GLN 163 Cb 1.24 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 3fiz h GLN 163 CO 0.64 0.19 -0.16 0.11 -2.65 0.00 0.00 178.83 176.96 3fiz h TRP 164 N 0.30 0.39 -0.19 3.99 5.08 -1.87 0.21 115.95 123.85 3fiz h TRP 164 Ca 0.12 -0.06 -0.19 0.00 1.08 0.00 0.00 58.89 59.84 3fiz h TRP 164 Cb 0.10 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3fiz h TRP 164 CO -0.00 0.51 -0.63 0.28 -1.28 0.00 0.00 178.44 177.32 3fiz h VAL 165 N 0.33 1.31 -0.49 0.12 2.07 -1.69 -2.73 116.25 115.17 3fiz h VAL 165 Ca 0.06 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.65 3fiz h VAL 165 Cb 0.49 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3fiz h VAL 165 CO 0.03 0.59 0.06 -0.08 0.02 0.00 0.00 177.57 178.19 3fiz h GLU 166 N 0.50 0.79 0.00 1.57 4.57 -0.87 -1.21 114.58 119.93 3fiz h GLU 166 Ca -0.01 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3fiz h GLU 166 Cb 1.22 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3fiz h GLU 166 CO 0.13 0.76 -0.02 -0.44 -1.18 0.00 0.00 179.01 178.26 3fiz h ASP 167 N 0.75 0.00 -0.65 1.04 3.32 -0.42 -2.16 116.42 118.30 3fiz h ASP 167 Ca 0.16 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 3fiz h ASP 167 Cb 0.37 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 3fiz h ASP 167 CO 0.01 0.02 0.16 -0.62 -1.72 0.00 0.00 179.24 177.08 3fiz n GLU 168 N -3.14 4.09 0.00 3.56 1.02 -0.63 -4.89 120.64 120.66 3fiz n GLU 168 Ca -0.01 -2.97 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 3fiz n GLU 168 Cb 0.24 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 3fiz n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fiz n GLY 169 N 0.18 2.11 7.00 0.62 0.00 -0.82 -4.79 105.19 109.49 3fiz n GLY 169 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3fiz n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fiz n GLY 170 N -0.41 0.84 0.00 -0.02 0.00 -0.56 -2.48 105.19 102.56 3fiz n GLY 170 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.43 3fiz n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fiz n TRP 171 N 0.72 0.00 0.13 1.61 7.02 -1.26 -2.12 117.44 123.54 3fiz n TRP 171 Ca 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.49 3fiz n TRP 171 Cb 0.00 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 3fiz n TRP 171 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3fiz h LEU 172 N 0.00 0.00 -9.30 -0.99 3.38 -1.83 -3.39 115.31 103.17 3fiz h LEU 172 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3fiz h LEU 172 Cb 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 3fiz h LEU 172 CO 0.00 0.58 -0.18 -0.55 0.09 0.00 0.00 178.44 178.38 3fiz s SER 173 N -6.49 6.61 0.41 -0.43 0.15 -0.90 -4.94 113.70 108.11 3fiz s SER 173 Ca 0.03 0.73 0.08 0.00 0.70 0.00 0.00 55.95 57.49 3fiz s SER 173 Cb 0.08 -2.26 0.85 0.00 -1.71 0.00 0.00 66.02 62.98 3fiz s SER 173 CO 0.76 0.01 2.02 -0.09 1.20 0.00 0.00 173.24 177.14 3fiz h ARG 174 N 6.77 0.43 0.00 5.44 2.43 -1.85 -2.72 114.38 124.89 3fiz h ARG 174 Ca -0.41 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3fiz h ARG 174 Cb 1.17 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3fiz h ARG 174 CO 0.75 0.35 -0.01 0.93 -1.51 0.00 0.00 179.97 180.48 3fiz h GLU 175 N 0.44 0.00 0.00 0.20 4.39 -1.93 -1.82 114.58 115.86 3fiz h GLU 175 Ca 0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3fiz h GLU 175 Cb 0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3fiz h GLU 175 CO -0.01 0.01 -0.08 0.77 -1.16 0.00 0.00 179.01 178.53 3fiz h SER 176 N 0.00 0.00 -0.43 1.42 0.02 -1.73 -0.21 113.55 112.62 3fiz h SER 176 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3fiz h SER 176 Cb 0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3fiz h SER 176 CO 0.00 0.08 0.06 0.00 -1.14 0.00 0.00 176.83 175.83 3fiz h ALA 177 N 1.92 1.17 -0.14 3.77 0.00 -1.53 -0.01 119.26 124.43 3fiz h ALA 177 Ca -0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 3fiz h ALA 177 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fiz h ALA 177 CO 0.01 0.55 -0.72 0.77 0.00 0.00 0.00 179.25 179.86 3fiz h SER 178 N 0.75 0.75 -0.77 0.00 0.02 -1.21 -2.18 113.55 110.91 3fiz h SER 178 Ca 0.16 -0.48 -0.04 0.00 -0.84 0.00 0.00 61.79 60.59 3fiz h SER 178 Cb 0.37 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3fiz h SER 178 CO 0.01 1.24 0.33 0.03 -1.14 0.00 0.00 176.83 177.30 3fiz h ARG 179 N 0.45 1.14 -0.41 3.45 2.47 -0.92 -1.70 114.38 118.85 3fiz h ARG 179 Ca -0.03 -0.20 -0.07 0.00 -1.26 0.00 0.00 59.98 58.42 3fiz h ARG 179 Cb 1.32 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 3fiz h ARG 179 CO 0.14 0.92 -0.04 0.35 0.56 0.00 0.00 179.97 181.90 3fiz h PHE 180 N 1.11 0.73 -0.41 3.04 3.57 -0.91 -1.26 116.94 122.82 3fiz h PHE 180 Ca 0.26 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 3fiz h PHE 180 Cb 0.18 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3fiz h PHE 180 CO 0.02 0.71 -0.08 0.00 -2.23 0.00 0.00 178.31 176.73 3fiz h ALA 181 N 1.32 0.56 -0.52 2.41 0.00 -1.01 0.34 119.26 122.36 3fiz h ALA 181 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3fiz h ALA 181 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fiz h ALA 181 CO 0.02 0.41 0.26 0.93 0.00 0.00 0.00 179.25 180.88 3fiz h GLU 182 N 0.59 0.73 -0.63 0.00 5.08 -1.07 0.16 114.58 119.44 3fiz h GLU 182 Ca 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3fiz h GLU 182 Cb 0.60 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3fiz h GLU 182 CO 0.04 0.59 0.35 -0.92 -1.00 0.00 0.00 179.01 178.07 3fiz h TYR 183 N 0.69 0.86 -0.32 4.33 3.20 -1.08 -2.05 116.97 122.60 3fiz h TYR 183 Ca 0.18 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3fiz h TYR 183 Cb 0.09 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3fiz h TYR 183 CO -0.01 0.61 0.16 1.15 -1.64 0.00 0.00 178.16 178.43 3fiz h THR 184 N 0.86 1.16 -0.74 1.81 2.02 -0.30 -2.64 112.91 115.08 3fiz h THR 184 Ca 0.22 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 67.02 3fiz h THR 184 Cb 0.03 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 3fiz h THR 184 CO -0.04 0.16 0.43 -0.74 0.37 0.00 0.00 175.52 175.70 3fiz h HIS 185 N 0.38 0.79 -0.07 3.16 -0.00 -0.39 0.38 115.15 119.41 3fiz h HIS 185 Ca 0.11 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3fiz h HIS 185 Cb 0.11 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 3fiz h HIS 185 CO -0.02 0.38 0.02 0.00 -0.00 0.00 0.00 177.93 178.31 3fiz h ALA 186 N 1.38 0.07 -0.35 5.26 0.00 -1.19 -0.27 119.26 124.16 3fiz h ALA 186 Ca 0.33 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3fiz h ALA 186 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fiz h ALA 186 CO -0.19 -0.45 0.03 -0.07 0.00 0.00 0.00 179.25 178.58 3fiz h LEU 187 N 0.06 0.57 -0.72 0.00 -0.00 -1.08 -2.04 115.31 112.10 3fiz h LEU 187 Ca 0.03 -0.28 -0.09 0.00 -0.00 0.00 0.00 57.88 57.54 3fiz h LEU 187 Cb 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 3fiz h LEU 187 CO -0.03 0.71 -0.01 0.58 -0.00 0.00 0.00 178.44 179.69 3fiz h VAL 188 N 0.42 1.26 -0.35 1.22 2.07 -0.88 0.64 116.25 120.63 3fiz h VAL 188 Ca 0.10 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 3fiz h VAL 188 Cb 0.40 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3fiz h VAL 188 CO 0.01 0.40 -0.04 0.00 0.02 0.00 0.00 177.57 177.96 3fiz h ALA 189 N 1.09 1.29 0.14 1.67 0.00 -0.96 0.85 119.26 123.33 3fiz h ALA 189 Ca 0.16 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 3fiz h ALA 189 Cb 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fiz h ALA 189 CO 0.03 0.48 -1.48 0.00 0.00 0.00 0.00 179.25 178.28 3fiz h ALA 190 N 1.44 0.18 0.00 0.00 0.00 -1.05 -3.40 119.26 116.42 3fiz h ALA 190 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3fiz h ALA 190 Cb 0.40 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fiz h ALA 190 CO 0.02 1.05 0.00 1.28 0.00 0.00 0.00 179.25 181.59 3fiz n LEU 191 N -3.51 1.23 -0.34 0.00 4.77 0.19 -4.90 117.00 114.43 3fiz n LEU 191 Ca -0.15 -1.23 -0.02 0.00 -0.03 0.00 0.00 56.01 54.58 3fiz n LEU 191 Cb 1.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.17 3fiz n LEU 191 CO 0.52 0.31 0.59 1.23 -1.33 0.00 0.00 177.39 178.71 3fiz h GLY 192 N 0.00 -0.00 -0.88 -0.72 0.00 0.63 0.26 103.07 102.35 3fiz h GLY 192 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3fiz h GLY 192 CO 0.00 -0.20 0.00 2.09 0.00 0.00 0.00 176.54 178.43 3fiz n ASP 193 N -5.46 1.23 -0.00 0.19 5.68 -1.26 -3.09 116.55 113.85 3fiz n ASP 193 Ca 0.08 -2.05 0.04 0.00 -0.50 0.00 0.00 54.79 52.36 3fiz n ASP 193 Cb 0.39 -0.22 -0.06 0.00 -1.14 0.00 0.00 41.12 40.08 3fiz n ASP 193 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fiz n GLN 194 N 0.05 1.82 -3.94 0.11 1.13 0.82 -4.89 117.38 112.48 3fiz n GLN 194 Ca 0.06 -0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.77 3fiz n GLN 194 Cb 0.23 -1.09 -0.15 0.00 0.11 0.00 0.00 30.24 29.33 3fiz n GLN 194 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3fiz s ILE 195 N -2.30 1.70 0.01 5.09 1.01 -0.66 -4.74 121.20 121.31 3fiz s ILE 195 Ca -0.01 -1.62 0.27 0.00 0.00 0.00 0.00 60.65 59.30 3fiz s ILE 195 Cb 0.06 -2.08 0.30 0.00 0.01 0.00 0.00 42.46 40.75 3fiz s ILE 195 CO 0.37 -0.33 1.83 1.55 0.00 0.00 0.00 174.94 178.36 3fiz h PRO 196 N 7.86 0.00 -4.09 2.79 0.13 -1.80 -3.43 132.00 133.46 3fiz h PRO 196 Ca -0.13 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.50 3fiz h PRO 196 Cb 1.04 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.80 3fiz h PRO 196 CO 0.46 0.12 -0.79 -0.51 -0.23 0.00 0.00 178.00 177.04 3fiz s LEU 197 N -6.43 1.05 -0.03 1.56 1.43 -1.20 -0.13 118.68 114.93 3fiz s LEU 197 Ca 0.02 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3fiz s LEU 197 Cb 0.09 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3fiz s LEU 197 CO 0.61 -0.13 -0.22 0.26 0.23 0.00 0.00 176.35 177.10 3fiz s TRP 198 N 1.70 2.46 -0.12 0.29 0.52 0.32 -1.55 118.94 122.56 3fiz s TRP 198 Ca 0.03 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.83 3fiz s TRP 198 Cb -0.13 -1.54 0.01 0.00 -1.15 0.00 0.00 33.47 30.67 3fiz s TRP 198 CO -0.06 0.05 -0.16 0.08 0.02 0.00 0.00 176.95 176.87 3fiz s VAL 199 N -0.67 1.56 -0.01 4.03 1.01 0.41 0.59 120.40 127.33 3fiz s VAL 199 Ca 0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3fiz s VAL 199 Cb -0.10 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 3fiz s VAL 199 CO -0.00 0.45 0.78 0.71 0.00 0.00 0.00 175.10 177.04 3fiz h THR 200 N 5.96 0.00 -3.69 3.92 1.35 -1.49 0.42 112.91 119.37 3fiz h THR 200 Ca -0.32 -0.37 -0.65 0.00 -0.55 0.00 0.00 66.41 64.53 3fiz h THR 200 Cb 1.17 0.00 -0.21 0.00 -1.73 0.00 0.00 68.15 67.38 3fiz h THR 200 CO 0.50 0.00 -0.84 -1.00 -0.25 0.00 0.00 175.52 173.93 3fiz s HIS 201 N -3.56 2.18 -0.21 4.73 3.76 -1.26 -1.35 115.29 119.57 3fiz s HIS 201 Ca -0.09 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 3fiz s HIS 201 Cb 0.01 -1.15 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 3fiz s HIS 201 CO 0.26 0.36 -0.05 1.21 -0.85 0.00 0.00 174.74 175.67 3fiz s ASN 202 N -2.23 4.32 -0.75 1.40 2.47 -0.78 -1.66 114.94 117.71 3fiz s ASN 202 Ca 0.14 -0.37 -0.01 0.00 0.42 0.00 0.00 52.86 53.04 3fiz s ASN 202 Cb -0.09 -1.74 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 3fiz s ASN 202 CO 0.07 -0.00 0.55 -0.62 -3.72 0.00 0.00 177.10 173.38 3fiz n GLU 203 N 4.68 -1.44 0.33 0.43 1.02 -0.39 -4.80 120.64 120.48 3fiz n GLU 203 Ca -0.18 0.70 0.21 0.00 -0.02 0.00 0.00 57.16 57.87 3fiz n GLU 203 Cb 0.51 -2.02 1.15 0.00 -0.02 0.00 0.00 31.44 31.05 3fiz n GLU 203 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3fiz h PRO 204 N -0.12 0.00 -0.44 3.49 0.13 -1.88 -2.18 132.00 131.00 3fiz h PRO 204 Ca -0.59 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.46 3fiz h PRO 204 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 3fiz h PRO 204 CO 0.34 0.00 -0.04 1.98 -0.23 0.00 0.00 178.00 180.04 3fiz h MET 205 N 0.00 0.74 -0.41 0.86 4.05 -1.95 -2.43 114.93 115.79 3fiz h MET 205 Ca -0.00 -0.21 -0.12 0.00 -0.28 0.00 0.00 59.70 59.09 3fiz h MET 205 Cb 0.01 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3fiz h MET 205 CO 0.00 0.78 -0.23 0.28 0.23 0.00 0.00 176.91 177.97 3fiz h VAL 206 N 0.68 1.27 -0.79 -5.77 2.07 -1.74 0.35 116.25 112.32 3fiz h VAL 206 Ca 0.13 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3fiz h VAL 206 Cb 0.49 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3fiz h VAL 206 CO 0.02 0.45 0.48 0.74 0.02 0.00 0.00 177.57 179.29 3fiz h THR 207 N 0.71 1.22 0.69 2.57 2.02 -1.55 0.12 112.91 118.69 3fiz h THR 207 Ca 0.10 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3fiz h THR 207 Cb 0.75 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3fiz h THR 207 CO 0.06 0.23 -0.33 0.58 0.37 0.00 0.00 175.52 176.43 3fiz h VAL 208 N 1.09 0.00 0.22 3.16 2.07 -1.04 -1.20 116.25 120.55 3fiz h VAL 208 Ca 0.28 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3fiz h VAL 208 Cb -0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3fiz h VAL 208 CO -0.05 0.00 -0.11 -0.25 0.02 0.00 0.00 177.57 177.18 3fiz h TRP 209 N -1.19 -0.28 0.05 1.57 2.91 -0.90 -1.60 115.95 116.51 3fiz h TRP 209 Ca -0.09 -0.01 -0.24 0.00 1.13 0.00 0.00 58.89 59.68 3fiz h TRP 209 Cb 0.71 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 3fiz h TRP 209 CO 0.01 0.03 -1.11 0.00 -1.03 0.00 0.00 178.44 176.34 3fiz h ALA 210 N 0.10 0.26 0.00 2.65 0.00 -0.93 -1.08 119.26 120.26 3fiz h ALA 210 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3fiz h ALA 210 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fiz h ALA 210 CO 0.05 1.15 -0.55 0.78 0.00 0.00 0.00 179.25 180.68 3fiz h GLY 211 N 2.47 0.00 0.00 0.00 0.00 -1.04 -0.51 103.07 103.99 3fiz h GLY 211 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3fiz h GLY 211 CO 0.16 0.00 -0.39 -1.72 0.00 0.00 0.00 176.54 174.59 3fiz n TYR 212 N -2.78 0.00 -0.05 5.60 4.02 -0.63 -1.96 117.16 121.36 3fiz n TYR 212 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.70 3fiz n TYR 212 Cb 0.53 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.72 3fiz n TYR 212 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3fiz h HIS 213 N 0.00 0.22 0.00 -0.72 3.86 -1.09 0.24 115.15 117.66 3fiz h HIS 213 Ca 0.00 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 58.91 3fiz h HIS 213 Cb 0.21 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3fiz h HIS 213 CO 0.00 1.56 -2.12 -1.33 0.86 0.00 0.00 177.93 176.90 3fiz n MET 214 N -4.09 0.69 -1.14 2.45 2.81 -0.47 -4.24 117.12 113.12 3fiz n MET 214 Ca -0.30 -0.13 -0.05 0.00 -1.81 0.00 0.00 57.70 55.42 3fiz n MET 214 Cb 0.81 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.79 3fiz n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fiz n GLY 215 N 1.47 0.76 0.19 3.03 0.00 -0.84 -4.82 105.19 104.97 3fiz n GLY 215 Ca -0.15 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 3fiz n GLY 215 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fiz h LEU 216 N 0.00 0.90 -9.90 0.99 6.46 -1.53 -3.43 115.31 108.80 3fiz h LEU 216 Ca -0.10 -0.76 -0.55 0.00 -0.12 0.00 0.00 57.88 56.35 3fiz h LEU 216 Cb 0.35 -0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 39.93 3fiz h LEU 216 CO 0.15 1.55 -0.50 -0.36 -0.62 0.00 0.00 178.44 178.66 3fiz s PHE 217 N -3.23 2.64 0.60 1.25 0.08 -0.32 -4.87 117.98 114.14 3fiz s PHE 217 Ca -0.10 -0.52 -0.19 0.00 0.12 0.00 0.00 56.93 56.24 3fiz s PHE 217 Cb 0.06 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3fiz s PHE 217 CO 0.92 0.19 1.21 0.00 -0.10 0.00 0.00 175.22 177.45 3fiz s ALA 218 N -2.54 2.52 -1.57 5.36 0.00 -1.26 0.03 121.76 124.30 3fiz s ALA 218 Ca 0.41 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.59 3fiz s ALA 218 Cb 0.01 -3.46 1.07 0.00 0.00 0.00 0.00 23.12 20.74 3fiz s ALA 218 CO 0.23 -1.22 1.63 -0.35 0.00 0.00 0.00 175.76 176.05 3fiz n PRO 219 N -1.65 0.38 -0.80 0.00 -0.04 -1.26 -4.46 135.00 127.17 3fiz n PRO 219 Ca 0.14 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3fiz n PRO 219 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3fiz n PRO 219 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fiz n GLY 220 N 0.38 0.68 3.83 0.55 0.00 0.10 -5.04 105.19 105.70 3fiz n GLY 220 Ca 0.11 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3fiz n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fiz s LEU 221 N 0.00 3.70 -0.50 0.99 1.02 -0.83 -4.56 118.68 118.50 3fiz s LEU 221 Ca 0.00 1.66 0.08 0.00 0.02 0.00 0.00 54.13 55.88 3fiz s LEU 221 Cb 0.00 -4.52 0.33 0.00 0.02 0.00 0.00 46.19 42.01 3fiz s LEU 221 CO 0.00 -0.63 0.82 0.29 0.02 0.00 0.00 176.35 176.85 3fiz n LYS 222 N -1.38 2.19 -3.63 1.70 5.02 -1.22 -1.99 118.16 118.85 3fiz n LYS 222 Ca 0.07 -4.21 -0.29 0.00 -2.02 0.00 0.00 58.31 51.86 3fiz n LYS 222 Cb 0.54 -1.98 -0.14 0.00 -0.02 0.00 0.00 35.03 33.43 3fiz n LYS 222 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fiz s ASP 223 N -2.84 3.66 0.32 4.39 -1.08 0.82 -4.95 116.67 116.99 3fiz s ASP 223 Ca 0.44 -1.75 0.09 0.00 -0.52 0.00 0.00 52.55 50.81 3fiz s ASP 223 Cb 0.28 -0.65 0.89 0.00 -1.46 0.00 0.00 42.92 41.97 3fiz s ASP 223 CO -0.10 -0.39 1.71 -0.65 0.52 0.00 0.00 175.17 176.26 3fiz h PRO 224 N 7.84 0.47 0.00 4.34 0.11 -1.79 -1.20 132.00 141.77 3fiz h PRO 224 Ca -0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3fiz h PRO 224 Cb 0.99 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3fiz h PRO 224 CO 0.43 0.31 0.04 0.25 -0.21 0.00 0.00 178.00 178.82 3fiz n THR 225 N -4.96 1.00 0.55 -1.15 -2.24 -1.26 -1.51 114.28 104.72 3fiz n THR 225 Ca 0.27 0.73 0.12 0.00 -2.27 0.00 0.00 64.05 62.90 3fiz n THR 225 Cb 0.77 -1.73 0.26 0.00 -2.10 0.00 0.00 70.33 67.52 3fiz n THR 225 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fiz h LEU 226 N 0.00 0.00 -0.30 3.22 3.38 -1.56 -3.40 115.31 116.65 3fiz h LEU 226 Ca 0.00 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3fiz h LEU 226 Cb 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3fiz h LEU 226 CO 0.00 0.05 -0.43 1.23 0.09 0.00 0.00 178.44 179.38 3fiz h GLY 227 N 4.46 -1.22 0.18 0.83 0.00 -1.44 -2.10 103.07 103.79 3fiz h GLY 227 Ca 0.00 0.74 0.18 0.00 0.00 0.00 0.00 47.33 48.25 3fiz h GLY 227 CO 0.00 -0.26 0.61 -1.33 0.00 0.00 0.00 176.54 175.56 3fiz h GLY 228 N -0.32 1.76 0.90 4.60 0.00 -1.82 0.16 103.07 108.35 3fiz h GLY 228 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3fiz h GLY 228 CO -0.45 -0.03 -0.03 -0.09 0.00 0.00 0.00 176.54 175.94 3fiz h ARG 229 N 0.80 -0.09 -0.29 4.80 2.43 -1.72 -1.76 114.38 118.55 3fiz h ARG 229 Ca 0.57 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.74 3fiz h ARG 229 Cb 0.83 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3fiz h ARG 229 CO -0.36 0.04 0.16 0.28 -1.51 0.00 0.00 179.97 178.58 3fiz h VAL 230 N -0.20 1.11 -0.47 0.20 2.07 -0.70 -2.51 116.25 115.77 3fiz h VAL 230 Ca -0.01 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.30 3fiz h VAL 230 Cb 0.17 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3fiz h VAL 230 CO 0.02 0.11 0.11 0.00 0.02 0.00 0.00 177.57 177.82 3fiz h ALA 231 N 1.05 0.53 -0.76 1.67 0.00 -0.89 -0.73 119.26 120.13 3fiz h ALA 231 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fiz h ALA 231 Cb 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3fiz h ALA 231 CO -0.02 -0.30 0.44 1.25 0.00 0.00 0.00 179.25 180.62 3fiz h HIS 232 N 0.25 1.02 0.00 0.00 6.17 -1.13 -1.28 115.15 120.18 3fiz h HIS 232 Ca 0.23 -0.01 -0.11 0.00 0.71 0.00 0.00 60.37 61.19 3fiz h HIS 232 Cb 0.29 -0.33 -0.02 0.00 2.52 0.00 0.00 27.41 29.87 3fiz h HIS 232 CO -0.21 0.70 -0.51 0.45 0.71 0.00 0.00 177.93 179.07 3fiz h HIS 233 N 1.04 0.00 -0.21 5.26 -0.00 -0.99 0.13 115.15 120.38 3fiz h HIS 233 Ca 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.57 3fiz h HIS 233 Cb -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 3fiz h HIS 233 CO -0.00 0.51 -0.15 -0.07 -0.00 0.00 0.00 177.93 178.21 3fiz h LEU 234 N 0.00 0.50 -0.43 2.43 3.38 -0.69 -1.15 115.31 119.35 3fiz h LEU 234 Ca -0.01 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 3fiz h LEU 234 Cb 0.94 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3fiz h LEU 234 CO 0.07 0.84 0.17 -0.07 0.09 0.00 0.00 178.44 179.53 3fiz h LEU 235 N 0.17 0.60 -0.88 1.67 3.38 -1.00 -2.05 115.31 117.20 3fiz h LEU 235 Ca 0.04 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3fiz h LEU 235 Cb 0.67 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3fiz h LEU 235 CO 0.04 0.60 0.58 0.25 0.09 0.00 0.00 178.44 180.00 3fiz h LEU 236 N 0.55 1.01 -1.00 1.67 5.85 -0.68 -1.19 115.31 121.53 3fiz h LEU 236 Ca 0.14 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3fiz h LEU 236 Cb 0.20 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3fiz h LEU 236 CO -0.01 0.74 0.19 0.77 -0.34 0.00 0.00 178.44 179.78 3fiz h SER 237 N 1.19 0.84 -0.56 1.25 4.64 -0.95 -0.78 113.55 119.18 3fiz h SER 237 Ca 0.32 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 3fiz h SER 237 Cb -0.13 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.71 3fiz h SER 237 CO -0.07 0.79 0.25 -0.74 -0.87 0.00 0.00 176.83 176.19 3fiz h HIS 238 N 0.88 0.84 -0.39 4.77 -0.00 -0.63 -1.08 115.15 119.54 3fiz h HIS 238 Ca 0.20 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.48 3fiz h HIS 238 Cb 0.25 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 3fiz h HIS 238 CO 0.02 0.67 0.11 0.78 -0.00 0.00 0.00 177.93 179.50 3fiz h GLY 239 N 0.77 0.67 1.78 5.26 0.00 -0.66 -1.07 103.07 109.81 3fiz h GLY 239 Ca 0.19 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3fiz h GLY 239 CO -0.02 0.38 -0.29 1.46 0.00 0.00 0.00 176.54 178.08 3fiz h GLN 240 N 0.49 0.26 -0.25 4.80 4.20 -1.05 -1.92 115.11 121.64 3fiz h GLN 240 Ca 0.12 -0.10 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 3fiz h GLN 240 Cb 0.29 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3fiz h GLN 240 CO -0.00 0.53 -0.40 0.00 -0.67 0.00 0.00 178.83 178.29 3fiz h ALA 241 N 1.47 0.83 -0.24 3.87 0.00 -0.95 -2.05 119.26 122.19 3fiz h ALA 241 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3fiz h ALA 241 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3fiz h ALA 241 CO 0.05 0.65 -0.30 1.25 0.00 0.00 0.00 179.25 180.89 3fiz h LEU 242 N 0.48 0.50 -0.35 0.00 5.85 -0.77 -1.55 115.31 119.48 3fiz h LEU 242 Ca 0.04 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3fiz h LEU 242 Cb 0.91 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3fiz h LEU 242 CO 0.08 0.78 0.08 1.56 -0.34 0.00 0.00 178.44 180.60 3fiz h GLN 243 N 0.42 0.56 -0.97 1.25 4.20 -1.09 -0.65 115.11 118.83 3fiz h GLN 243 Ca 0.05 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.65 3fiz h GLN 243 Cb 0.74 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 3fiz h GLN 243 CO 0.06 0.62 0.64 0.00 -0.67 0.00 0.00 178.83 179.48 3fiz h ALA 244 N 0.92 1.26 -0.12 3.87 0.00 -1.10 -0.41 119.26 123.67 3fiz h ALA 244 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fiz h ALA 244 Cb 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fiz h ALA 244 CO 0.00 0.58 0.06 0.35 0.00 0.00 0.00 179.25 180.24 3fiz h PHE 245 N 1.28 0.17 -0.78 0.00 3.57 -0.87 -2.39 116.94 117.92 3fiz h PHE 245 Ca 0.37 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 3fiz h PHE 245 Cb -0.09 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3fiz h PHE 245 CO -0.00 0.21 0.32 0.00 -2.23 0.00 0.00 178.31 176.61 3fiz h ARG 246 N 0.08 1.16 -0.63 1.11 2.47 -0.71 0.40 114.38 118.26 3fiz h ARG 246 Ca 0.04 -0.20 0.03 0.00 -1.26 0.00 0.00 59.98 58.59 3fiz h ARG 246 Cb 0.10 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.19 3fiz h ARG 246 CO -0.01 0.93 0.39 0.00 0.56 0.00 0.00 179.97 181.85 3fiz h ALA 247 N 1.21 0.82 -0.02 0.04 0.00 -0.91 -2.37 119.26 118.03 3fiz h ALA 247 Ca 0.26 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 3fiz h ALA 247 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fiz h ALA 247 CO -0.02 0.14 -0.90 -0.07 0.00 0.00 0.00 179.25 178.41 3fiz h LEU 248 N 0.77 0.52 -3.05 0.00 3.38 -1.12 -3.48 115.31 112.33 3fiz h LEU 248 Ca 0.25 -0.40 -0.53 0.00 0.09 0.00 0.00 57.88 57.29 3fiz h LEU 248 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3fiz h LEU 248 CO -0.10 1.19 -0.96 -0.24 0.09 0.00 0.00 178.44 178.42 3fiz n SER 249 N -3.76 -3.03 -4.76 -0.43 2.88 0.14 -4.87 113.62 99.78 3fiz n SER 249 Ca -0.06 -1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 55.91 3fiz n SER 249 Cb 0.81 -2.47 -0.00 0.00 -0.75 0.00 0.00 64.21 61.79 3fiz n SER 249 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3fiz n PRO 250 N -4.59 2.63 -1.75 -1.46 -0.04 -1.26 -4.90 135.00 123.62 3fiz n PRO 250 Ca -0.18 0.92 -0.42 0.00 -0.04 0.00 0.00 63.50 63.79 3fiz n PRO 250 Cb 0.62 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.40 3fiz n PRO 250 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fiz s ALA 251 N -0.98 3.79 -1.57 0.55 0.00 -1.26 -2.66 121.76 119.62 3fiz s ALA 251 Ca 0.55 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.95 3fiz s ALA 251 Cb -0.49 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 18.90 3fiz s ALA 251 CO 0.62 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.65 3fiz n GLY 252 N 4.14 1.20 3.60 0.00 0.00 -1.26 -4.68 105.19 108.19 3fiz n GLY 252 Ca 0.17 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3fiz n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fiz s SER 253 N -2.73 4.45 0.10 1.61 0.15 -1.09 -4.63 113.70 111.56 3fiz s SER 253 Ca 0.00 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.21 3fiz s SER 253 Cb 0.00 -0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 3fiz s SER 253 CO 0.00 0.12 -0.08 -1.10 1.20 0.00 0.00 173.24 173.38 3fiz s GLN 254 N -2.68 0.84 0.01 5.44 -0.21 0.82 -4.90 119.66 118.97 3fiz s GLN 254 Ca 0.25 -1.26 0.02 0.00 0.02 0.00 0.00 55.36 54.38 3fiz s GLN 254 Cb -0.10 -0.33 -0.01 0.00 1.00 0.00 0.00 33.01 33.58 3fiz s GLN 254 CO 0.16 0.02 -0.06 1.41 -2.12 0.00 0.00 175.29 174.70 3fiz s MET 255 N -3.42 0.46 0.00 2.91 -2.45 -1.26 -0.52 119.30 115.02 3fiz s MET 255 Ca 0.09 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.17 3fiz s MET 255 Cb 0.02 -0.38 0.00 0.00 1.25 0.00 0.00 34.83 35.72 3fiz s MET 255 CO -0.03 0.09 0.00 0.41 1.05 0.00 0.00 175.02 176.55 3fiz n GLY 256 N 2.50 4.25 3.28 2.11 0.00 0.20 -0.88 105.19 116.65 3fiz n GLY 256 Ca -0.16 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 3fiz n GLY 256 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fiz s ILE 257 N -1.05 0.04 -0.18 -0.61 2.07 -1.24 -1.33 121.20 118.91 3fiz s ILE 257 Ca 0.00 -0.35 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 3fiz s ILE 257 Cb 0.00 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 3fiz s ILE 257 CO 0.00 -0.19 0.01 -0.89 -1.91 0.00 0.00 174.94 171.96 3fiz s THR 258 N -1.11 4.28 0.08 4.00 2.01 -0.67 -0.04 115.64 124.19 3fiz s THR 258 Ca -0.11 -0.21 0.08 0.00 0.31 0.00 0.00 61.69 61.75 3fiz s THR 258 Cb -0.04 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 3fiz s THR 258 CO 0.04 0.47 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.46 3fiz s LEU 259 N 0.49 2.24 -0.02 4.42 1.43 -0.21 -1.27 118.68 125.76 3fiz s LEU 259 Ca -0.00 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3fiz s LEU 259 Cb -0.14 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 3fiz s LEU 259 CO 0.02 0.13 0.13 0.54 0.23 0.00 0.00 176.35 177.40 3fiz s ASN 260 N -1.59 6.05 0.04 2.29 4.22 -1.26 -1.19 114.94 123.50 3fiz s ASN 260 Ca 0.08 0.27 0.01 0.00 -2.14 0.00 0.00 52.86 51.08 3fiz s ASN 260 Cb -0.10 -1.84 -0.03 0.00 1.28 0.00 0.00 41.25 40.57 3fiz s ASN 260 CO 0.03 0.28 -0.05 -0.36 -2.04 0.00 0.00 177.10 174.96 3fiz s PHE 261 N -1.23 0.50 -0.32 1.54 0.40 -0.91 -4.87 117.98 113.10 3fiz s PHE 261 Ca 0.24 -0.61 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3fiz s PHE 261 Cb -0.12 -0.32 0.10 0.00 0.51 0.00 0.00 43.02 43.18 3fiz s PHE 261 CO 0.15 -0.16 0.06 -0.80 0.70 0.00 0.00 175.22 175.17 3fiz s ASN 262 N -1.79 4.36 0.07 1.36 0.01 -1.26 -4.57 114.94 113.12 3fiz s ASN 262 Ca -0.09 -1.84 -0.36 0.00 -0.71 0.00 0.00 52.86 49.86 3fiz s ASN 262 Cb -0.07 -1.26 -0.16 0.00 0.41 0.00 0.00 41.25 40.18 3fiz s ASN 262 CO -0.02 -0.38 1.47 0.41 -1.51 0.00 0.00 177.10 177.07 3fiz n THR 263 N 4.55 0.05 -3.67 1.60 -1.04 -1.26 -4.41 114.28 110.09 3fiz n THR 263 Ca -0.00 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 3fiz n THR 263 Cb 0.42 -1.12 -0.08 0.00 -1.82 0.00 0.00 70.33 67.73 3fiz n THR 263 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3fiz s ILE 264 N 1.01 5.38 -0.06 12.58 -1.09 -1.26 -0.10 121.20 137.66 3fiz s ILE 264 Ca 0.84 0.28 0.02 0.00 -2.23 0.00 0.00 60.65 59.56 3fiz s ILE 264 Cb -0.87 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 3fiz s ILE 264 CO 0.46 0.42 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.17 3fiz s TYR 265 N 0.46 1.27 0.46 3.97 1.51 -0.54 -4.97 117.35 119.51 3fiz s TYR 265 Ca 0.10 -0.44 -0.22 0.00 -1.01 0.00 0.00 57.07 55.51 3fiz s TYR 265 Cb -0.12 -0.95 -0.08 0.00 -0.11 0.00 0.00 41.96 40.70 3fiz s TYR 265 CO -0.00 -0.24 1.08 -1.25 -1.11 0.00 0.00 175.55 174.03 3fiz s PRO 266 N 0.65 3.84 0.45 -1.71 0.04 -1.26 -1.90 135.00 135.11 3fiz s PRO 266 Ca -0.13 1.52 0.30 0.00 0.04 0.00 0.00 61.00 62.73 3fiz s PRO 266 Cb -0.15 -2.27 1.21 0.00 0.04 0.00 0.00 34.50 33.33 3fiz s PRO 266 CO 0.03 -0.43 1.88 -0.39 0.04 0.00 0.00 177.00 178.14 3fiz h VAL 267 N 1.75 0.00 -4.19 -0.36 -1.51 -1.55 -3.46 116.25 106.93 3fiz h VAL 267 Ca -0.49 -0.44 -0.30 0.00 -1.23 0.00 0.00 66.70 64.24 3fiz h VAL 267 Cb 1.23 1.35 -0.08 0.00 -2.13 0.00 0.00 31.29 31.66 3fiz h VAL 267 CO 0.60 0.00 -0.20 -0.94 -1.23 0.00 0.00 177.57 175.80 3fiz s SER 268 N -5.23 1.06 0.00 4.19 1.04 -1.26 -5.04 113.70 108.47 3fiz s SER 268 Ca 0.02 -1.54 0.20 0.00 0.48 0.00 0.00 55.95 55.11 3fiz s SER 268 Cb 0.09 0.67 0.63 0.00 0.10 0.00 0.00 66.02 67.51 3fiz s SER 268 CO 0.50 -1.31 1.48 0.00 0.98 0.00 0.00 173.24 174.89 3fiz n ALA 269 N -0.59 2.49 -1.84 5.32 0.00 -1.26 -4.63 120.51 119.99 3fiz n ALA 269 Ca 0.01 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 3fiz n ALA 269 Cb 0.61 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 3fiz n ALA 269 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3fiz s GLU 270 N -1.70 4.34 0.31 0.00 2.02 -1.26 -4.88 118.70 117.53 3fiz s GLU 270 Ca 0.32 2.21 0.06 0.00 0.02 0.00 0.00 54.97 57.58 3fiz s GLU 270 Cb 0.18 -3.10 0.73 0.00 0.10 0.00 0.00 34.13 32.03 3fiz s GLU 270 CO 0.26 -0.26 1.79 -1.35 0.02 0.00 0.00 175.26 175.71 3fiz h PRO 271 N 4.21 0.77 -0.75 0.39 0.11 -1.99 -1.22 132.00 133.51 3fiz h PRO 271 Ca -0.47 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3fiz h PRO 271 Cb 1.22 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3fiz h PRO 271 CO 0.71 0.51 0.25 0.00 -0.21 0.00 0.00 178.00 179.26 3fiz h ALA 272 N 1.63 1.03 -0.32 -0.75 0.00 -1.98 -0.59 119.26 118.28 3fiz h ALA 272 Ca 0.56 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 3fiz h ALA 272 Cb 0.85 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fiz h ALA 272 CO -0.35 0.66 -0.51 -0.44 0.00 0.00 0.00 179.25 178.61 3fiz h ASP 273 N 1.10 0.99 -0.67 0.00 3.32 -1.61 -2.02 116.42 117.53 3fiz h ASP 273 Ca 0.24 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3fiz h ASP 273 Cb 0.28 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3fiz h ASP 273 CO -0.01 1.31 0.38 0.58 -1.72 0.00 0.00 179.24 179.78 3fiz h VAL 274 N 0.70 1.20 -0.25 -1.35 2.07 -1.01 0.12 116.25 117.73 3fiz h VAL 274 Ca 0.03 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3fiz h VAL 274 Cb 1.11 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3fiz h VAL 274 CO 0.12 0.22 0.11 -0.08 0.02 0.00 0.00 177.57 177.95 3fiz h GLU 275 N 0.91 0.38 -0.75 1.57 4.57 -1.03 0.11 114.58 120.32 3fiz h GLU 275 Ca 0.24 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3fiz h GLU 275 Cb 0.01 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3fiz h GLU 275 CO -0.04 0.41 0.36 0.00 -1.18 0.00 0.00 179.01 178.56 3fiz h ALA 276 N 0.95 1.22 -0.61 2.92 0.00 -1.09 -1.07 119.26 121.58 3fiz h ALA 276 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3fiz h ALA 276 Cb 0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3fiz h ALA 276 CO -0.01 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.98 3fiz h ALA 277 N 1.32 0.81 -0.37 0.00 0.00 -0.40 -0.31 119.26 120.31 3fiz h ALA 277 Ca 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fiz h ALA 277 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fiz h ALA 277 CO -0.03 0.53 0.10 -0.09 0.00 0.00 0.00 179.25 179.75 3fiz h ARG 278 N 0.90 0.60 -0.64 0.00 2.43 -0.39 -1.36 114.38 115.91 3fiz h ARG 278 Ca 0.19 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 3fiz h ARG 278 Cb 0.38 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3fiz h ARG 278 CO 0.01 0.63 0.05 0.00 -1.51 0.00 0.00 179.97 179.14 3fiz h ARG 279 N 0.46 1.10 -0.49 0.20 3.08 -1.08 -2.06 114.38 115.59 3fiz h ARG 279 Ca 0.12 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 3fiz h ARG 279 Cb 0.29 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3fiz h ARG 279 CO -0.00 1.04 0.07 1.98 -1.07 0.00 0.00 179.97 181.98 3fiz h MET 280 N 1.02 0.76 -0.23 0.04 4.05 -0.90 -2.33 114.93 117.34 3fiz h MET 280 Ca 0.19 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3fiz h MET 280 Cb 0.51 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3fiz h MET 280 CO 0.02 0.73 0.05 1.25 0.23 0.00 0.00 176.91 179.19 3fiz h HIS 281 N 0.73 0.39 -0.75 1.39 -0.00 -0.95 0.13 115.15 116.10 3fiz h HIS 281 Ca 0.15 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.55 3fiz h HIS 281 Cb 0.35 -0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 27.59 3fiz h HIS 281 CO 0.02 0.48 0.42 0.77 -0.00 0.00 0.00 177.93 179.61 3fiz h SER 282 N 0.19 0.60 0.14 3.26 0.02 -1.09 0.14 113.55 116.82 3fiz h SER 282 Ca 0.07 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3fiz h SER 282 Cb 0.29 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3fiz h SER 282 CO 0.00 0.37 -0.07 0.15 -1.14 0.00 0.00 176.83 176.14 3fiz h PHE 283 N 0.73 -0.17 -0.69 3.45 3.57 -1.30 -2.65 116.94 119.88 3fiz h PHE 283 Ca 0.35 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.92 3fiz h PHE 283 Cb 0.27 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3fiz h PHE 283 CO -0.07 -0.11 0.36 0.37 -2.23 0.00 0.00 178.31 176.63 3fiz h GLN 284 N -0.71 0.62 0.00 1.11 5.75 -0.77 -3.05 115.11 118.07 3fiz h GLN 284 Ca -0.02 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3fiz h GLN 284 Cb 0.14 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3fiz h GLN 284 CO 0.03 0.41 -1.16 0.09 -2.65 0.00 0.00 178.83 175.56 3fiz n ASN 285 N -4.83 1.06 0.00 -0.69 3.02 0.03 -4.68 115.26 109.17 3fiz n ASN 285 Ca 0.10 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3fiz n ASN 285 Cb 0.23 1.32 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 3fiz n ASN 285 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fiz n GLU 286 N -1.66 2.12 -0.25 3.52 1.02 -1.02 -4.51 120.64 119.86 3fiz n GLU 286 Ca 0.00 -1.22 0.05 0.00 -0.02 0.00 0.00 57.16 55.97 3fiz n GLU 286 Cb 0.31 -0.90 0.29 0.00 -0.02 0.00 0.00 31.44 31.12 3fiz n GLU 286 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3fiz h LEU 287 N 0.00 0.80 0.01 -4.62 5.85 -1.38 -2.31 115.31 113.65 3fiz h LEU 287 Ca 0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 3fiz h LEU 287 Cb 0.56 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3fiz h LEU 287 CO 0.00 0.51 -2.43 0.49 -0.34 0.00 0.00 178.44 176.67 3fiz n PHE 288 N -4.48 0.12 -0.20 1.25 3.72 -1.26 -4.43 117.46 112.17 3fiz n PHE 288 Ca 0.12 0.03 -0.02 0.00 -0.05 0.00 0.00 57.45 57.54 3fiz n PHE 288 Cb 0.21 -1.02 0.09 0.00 -0.94 0.00 0.00 39.48 37.83 3fiz n PHE 288 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3fiz h LEU 289 N -0.21 0.38 0.45 4.37 3.38 -1.78 -1.76 115.31 120.13 3fiz h LEU 289 Ca -0.59 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3fiz h LEU 289 Cb 1.84 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 3fiz h LEU 289 CO -0.15 0.24 -0.33 -0.08 0.09 0.00 0.00 178.44 178.22 3fiz h GLU 290 N 0.53 -0.74 -0.53 1.13 4.57 -1.66 -0.28 114.58 117.60 3fiz h GLU 290 Ca 0.28 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.47 3fiz h GLU 290 Cb 0.25 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3fiz h GLU 290 CO -0.22 -0.49 0.14 -1.00 -1.18 0.00 0.00 179.01 176.26 3fiz h PRO 291 N -0.77 0.80 -0.50 0.92 0.13 -1.35 0.46 132.00 131.68 3fiz h PRO 291 Ca -0.05 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3fiz h PRO 291 Cb 0.65 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 3fiz h PRO 291 CO 0.01 0.71 0.30 -0.07 -0.23 0.00 0.00 178.00 178.71 3fiz h LEU 292 N 0.77 0.60 0.04 1.56 3.38 -1.05 -0.42 115.31 120.19 3fiz h LEU 292 Ca 0.17 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 3fiz h LEU 292 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3fiz h LEU 292 CO -0.01 0.49 -1.65 -0.38 0.09 0.00 0.00 178.44 176.98 3fiz n ILE 293 N -4.69 1.61 0.29 1.22 2.08 -0.14 -4.23 119.36 115.50 3fiz n ILE 293 Ca 0.02 -0.27 0.12 0.00 0.56 0.00 0.00 62.75 63.18 3fiz n ILE 293 Cb 0.06 -1.91 0.05 0.00 -0.75 0.00 0.00 39.64 37.09 3fiz n ILE 293 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3fiz h ARG 294 N -0.65 0.00 -0.18 0.38 2.47 -0.22 -3.49 114.38 112.69 3fiz h ARG 294 Ca -0.42 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.27 3fiz h ARG 294 Cb 1.57 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.89 3fiz h ARG 294 CO -0.14 0.00 -0.04 0.41 0.56 0.00 0.00 179.97 180.76 3fiz n GLY 295 N 1.25 0.38 3.39 0.04 0.00 -0.17 -4.97 105.19 105.12 3fiz n GLY 295 Ca 0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 3fiz n GLY 295 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fiz s GLN 296 N -3.32 0.92 0.20 1.61 -2.07 -1.26 -4.83 119.66 110.92 3fiz s GLN 296 Ca 0.00 -0.01 -0.19 0.00 -1.82 0.00 0.00 55.36 53.33 3fiz s GLN 296 Cb 0.00 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.27 3fiz s GLN 296 CO 0.00 -0.29 0.69 0.71 -1.32 0.00 0.00 175.29 175.08 3fiz s TYR 297 N -1.55 3.67 0.73 9.60 2.02 -1.26 -2.21 117.35 128.36 3fiz s TYR 297 Ca -0.10 1.35 -0.11 0.00 -0.37 0.00 0.00 57.07 57.83 3fiz s TYR 297 Cb -0.02 -2.58 0.04 0.00 -0.40 0.00 0.00 41.96 39.00 3fiz s TYR 297 CO 0.05 0.38 1.11 0.54 -1.57 0.00 0.00 175.55 176.06 3fiz s ASN 298 N -1.59 5.09 0.19 2.29 2.20 -1.26 -4.87 114.94 117.00 3fiz s ASN 298 Ca 0.41 0.94 -0.12 0.00 -0.94 0.00 0.00 52.86 53.15 3fiz s ASN 298 Cb -0.17 -1.63 0.13 0.00 -2.00 0.00 0.00 41.25 37.58 3fiz s ASN 298 CO 0.21 -1.53 1.85 1.56 -2.94 0.00 0.00 177.10 176.25 3fiz h GLN 299 N -0.75 0.83 -0.52 3.55 1.08 -1.98 -1.69 115.11 115.62 3fiz h GLN 299 Ca -0.45 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 56.79 3fiz h GLN 299 Cb 1.28 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.50 3fiz h GLN 299 CO 0.64 0.55 0.35 0.00 -0.95 0.00 0.00 178.83 179.42 3fiz h ALA 300 N 1.25 2.09 0.02 3.87 0.00 -1.94 0.28 119.26 124.83 3fiz h ALA 300 Ca 0.25 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3fiz h ALA 300 Cb -0.06 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fiz h ALA 300 CO -0.07 -0.21 -0.34 1.15 0.00 0.00 0.00 179.25 179.79 3fiz h THR 301 N 0.30 1.56 -0.34 0.00 2.02 -1.74 -2.61 112.91 112.11 3fiz h THR 301 Ca 0.24 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 3fiz h THR 301 Cb 0.55 2.87 -0.02 0.00 -1.74 0.00 0.00 68.15 69.81 3fiz h THR 301 CO -0.05 0.57 0.18 -0.07 0.37 0.00 0.00 175.52 176.52 3fiz h LEU 302 N -0.49 0.40 -0.27 2.58 3.38 -0.72 -0.15 115.31 120.03 3fiz h LEU 302 Ca -0.05 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 3fiz h LEU 302 Cb 1.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3fiz h LEU 302 CO 0.07 0.33 -0.88 0.24 0.09 0.00 0.00 178.44 178.28 3fiz h MET 303 N 0.46 0.13 -0.05 1.13 2.86 -1.02 -2.85 114.93 115.59 3fiz h MET 303 Ca 0.12 -0.15 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 3fiz h MET 303 Cb 0.02 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3fiz h MET 303 CO -0.02 0.92 -0.78 0.00 1.06 0.00 0.00 176.91 178.09 3fiz h ALA 304 N 1.02 0.57 -2.88 6.32 0.00 -0.97 -3.38 119.26 119.94 3fiz h ALA 304 Ca -0.03 -0.64 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 3fiz h ALA 304 Cb 1.52 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.85 3fiz h ALA 304 CO 0.13 0.80 -0.71 0.71 0.00 0.00 0.00 179.25 180.18 3fiz s TYR 305 N -3.49 2.70 0.29 0.00 1.51 -0.14 -4.98 117.35 113.24 3fiz s TYR 305 Ca -0.05 -2.96 0.03 0.00 -1.01 0.00 0.00 57.07 53.08 3fiz s TYR 305 Cb 0.10 -2.12 0.67 0.00 -0.11 0.00 0.00 41.96 40.51 3fiz s TYR 305 CO 0.84 -0.66 1.75 -1.35 -1.11 0.00 0.00 175.55 175.02 3fiz h PRO 306 N 5.63 0.61 0.00 -1.71 0.11 -1.69 -2.13 132.00 132.83 3fiz h PRO 306 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3fiz h PRO 306 Cb 0.82 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3fiz h PRO 306 CO 0.60 0.41 0.00 0.27 -0.21 0.00 0.00 178.00 179.06 3fiz n ASN 307 N -4.86 0.00 -0.30 -2.05 2.04 -1.26 -4.46 115.26 104.37 3fiz n ASN 307 Ca 0.21 -1.12 0.08 0.00 -0.44 0.00 0.00 54.58 53.32 3fiz n ASN 307 Cb 0.55 0.00 0.24 0.00 -2.53 0.00 0.00 39.78 38.05 3fiz n ASN 307 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3fiz h LEU 308 N 0.00 0.49 -0.74 -4.53 5.85 -1.72 -2.45 115.31 112.21 3fiz h LEU 308 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3fiz h LEU 308 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3fiz h LEU 308 CO 0.00 0.18 0.00 -0.65 -0.34 0.00 0.00 178.44 177.63 3fiz h PRO 309 N 0.58 0.00 0.00 5.25 0.11 -1.85 -1.74 132.00 134.34 3fiz h PRO 309 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3fiz h PRO 309 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3fiz h PRO 309 CO -0.40 0.00 0.01 0.93 -0.21 0.00 0.00 178.00 178.33 3fiz h GLU 310 N 0.00 0.00 -0.01 1.05 5.08 -1.77 -2.87 114.58 116.06 3fiz h GLU 310 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fiz h GLU 310 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3fiz h GLU 310 CO 0.00 0.00 -0.45 1.19 -1.00 0.00 0.00 179.01 178.75 3fiz n PHE 311 N -2.91 0.00 -2.88 4.33 3.01 -0.66 -4.94 117.46 113.42 3fiz n PHE 311 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.00 3fiz n PHE 311 Cb 0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 3fiz n PHE 311 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3fiz s ILE 312 N -1.97 4.46 0.72 4.37 1.01 -1.08 -5.03 121.20 123.68 3fiz s ILE 312 Ca 0.08 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 3fiz s ILE 312 Cb 0.11 -4.49 0.03 0.00 0.01 0.00 0.00 42.46 38.11 3fiz s ILE 312 CO 0.44 -1.04 1.10 0.00 0.00 0.00 0.00 174.94 175.44 3fiz s ALA 313 N 3.75 2.75 0.32 9.38 0.00 -1.26 -4.96 121.76 131.75 3fiz s ALA 313 Ca 0.29 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.01 3fiz s ALA 313 Cb -0.13 -3.05 0.89 0.00 0.00 0.00 0.00 23.12 20.83 3fiz s ALA 313 CO 0.19 -1.26 1.58 -1.35 0.00 0.00 0.00 175.76 174.92 3fiz h PRO 314 N -0.74 0.02 -0.03 0.00 0.11 -2.00 -2.48 132.00 126.87 3fiz h PRO 314 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fiz h PRO 314 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fiz h PRO 314 CO 0.63 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 3fiz n GLU 315 N -5.42 1.83 0.01 1.05 0.28 -1.26 -4.74 120.64 112.39 3fiz n GLU 315 Ca 0.27 -2.37 -0.10 0.00 -0.16 0.00 0.00 57.16 54.79 3fiz n GLU 315 Cb 0.88 -1.42 -0.05 0.00 1.43 0.00 0.00 31.44 32.28 3fiz n GLU 315 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3fiz h ASP 316 N 0.22 -0.08 -0.48 -1.84 3.32 -1.81 -1.73 116.42 114.02 3fiz h ASP 316 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.12 3fiz h ASP 316 Cb 0.93 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3fiz h ASP 316 CO 0.02 -0.03 0.32 0.24 -1.72 0.00 0.00 179.24 178.07 3fiz h MET 317 N -0.00 0.48 -0.19 3.56 2.86 -1.85 0.34 114.93 120.12 3fiz h MET 317 Ca 0.04 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3fiz h MET 317 Cb 0.06 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3fiz h MET 317 CO -0.09 0.31 -0.34 0.37 1.06 0.00 0.00 176.91 178.23 3fiz h GLN 318 N 0.49 0.57 -0.52 1.72 4.15 -1.79 -1.40 115.11 118.33 3fiz h GLN 318 Ca 0.20 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 3fiz h GLN 318 Cb 0.18 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3fiz h GLN 318 CO -0.05 0.96 0.19 1.15 -1.93 0.00 0.00 178.83 179.15 3fiz h THR 319 N 0.23 1.22 -0.29 2.39 2.02 -0.52 -2.38 112.91 115.58 3fiz h THR 319 Ca 0.01 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 3fiz h THR 319 Cb 0.93 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3fiz h THR 319 CO 0.08 0.26 -0.09 0.40 0.37 0.00 0.00 175.52 176.54 3fiz h ILE 320 N 0.70 1.21 -0.66 3.11 2.04 -0.31 -3.15 117.51 120.45 3fiz h ILE 320 Ca 0.17 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3fiz h ILE 320 Cb 0.22 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3fiz h ILE 320 CO -0.01 0.30 0.00 -1.54 0.00 0.00 0.00 178.15 176.90 3fiz n SER 321 N -4.23 3.70 -4.65 1.72 3.41 -0.53 -4.59 113.62 108.44 3fiz n SER 321 Ca 0.01 -2.05 -0.34 0.00 -0.26 0.00 0.00 58.87 56.22 3fiz n SER 321 Cb 0.29 -0.46 0.11 0.00 -0.26 0.00 0.00 64.21 63.89 3fiz n SER 321 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fiz n ALA 322 N 1.41 -0.15 -1.69 7.33 0.00 -0.92 -4.81 120.51 121.69 3fiz n ALA 322 Ca 0.23 -0.27 -0.50 0.00 0.00 0.00 0.00 53.44 52.89 3fiz n ALA 322 Cb 0.60 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 3fiz n ALA 322 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fiz n PRO 323 N -2.62 1.93 -3.68 0.00 -0.02 -1.26 -5.02 135.00 124.33 3fiz n PRO 323 Ca 0.13 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 3fiz n PRO 323 Cb 0.50 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 3fiz n PRO 323 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fiz s ILE 324 N 3.70 5.19 -0.15 4.25 -4.36 -1.26 -5.02 121.20 123.55 3fiz s ILE 324 Ca 0.93 -0.58 0.16 0.00 -0.26 0.00 0.00 60.65 60.90 3fiz s ILE 324 Cb -0.78 -3.81 -0.01 0.00 1.25 0.00 0.00 42.46 39.11 3fiz s ILE 324 CO 0.54 -0.33 1.19 0.44 0.24 0.00 0.00 174.94 177.01 3fiz h ASP 325 N 1.38 0.00 -4.91 4.36 3.32 -1.41 -3.48 116.42 115.69 3fiz h ASP 325 Ca -0.50 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.66 3fiz h ASP 325 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 3fiz h ASP 325 CO 0.64 0.49 0.43 0.72 -1.72 0.00 0.00 179.24 179.80 3fiz s PHE 326 N -2.97 -0.31 -0.12 4.55 -0.71 -1.25 -4.56 117.98 112.60 3fiz s PHE 326 Ca 0.01 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 3fiz s PHE 326 Cb 0.08 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.45 3fiz s PHE 326 CO 0.77 -0.71 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.64 3fiz s LEU 327 N -2.68 2.72 -0.14 -1.99 0.20 -0.37 -3.62 118.68 112.80 3fiz s LEU 327 Ca 0.07 -0.31 -0.14 0.00 0.69 0.00 0.00 54.13 54.44 3fiz s LEU 327 Cb -0.01 -1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 3fiz s LEU 327 CO -0.06 0.19 0.33 -0.83 -0.29 0.00 0.00 176.35 175.70 3fiz s GLY 328 N 0.18 2.26 -0.17 7.98 0.00 0.94 -1.82 107.32 116.69 3fiz s GLY 328 Ca -0.08 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.26 3fiz s GLY 328 CO 0.05 0.44 -0.18 0.14 0.00 0.00 0.00 173.10 173.56 3fiz s VAL 329 N 0.33 2.36 -0.15 1.40 1.01 0.08 -1.05 120.40 124.37 3fiz s VAL 329 Ca 0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3fiz s VAL 329 Cb -0.14 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3fiz s VAL 329 CO 0.06 0.52 -0.04 0.20 0.00 0.00 0.00 175.10 175.84 3fiz s ASN 330 N 1.08 4.77 -0.11 3.32 0.02 -0.33 -1.31 114.94 122.38 3fiz s ASN 330 Ca -0.00 -0.13 -0.11 0.00 -1.02 0.00 0.00 52.86 51.60 3fiz s ASN 330 Cb -0.14 -1.76 0.03 0.00 0.02 0.00 0.00 41.25 39.39 3fiz s ASN 330 CO -0.06 0.18 0.31 -0.47 0.02 0.00 0.00 177.10 177.07 3fiz s TYR 331 N 0.32 -0.33 0.00 2.20 5.04 -0.44 -2.13 117.35 122.01 3fiz s TYR 331 Ca -0.04 0.79 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 3fiz s TYR 331 Cb -0.14 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.28 3fiz s TYR 331 CO 0.03 -0.18 0.00 0.66 -1.34 0.00 0.00 175.55 174.72 3fiz n TYR 332 N 2.80 0.00 -3.49 4.97 4.01 -1.26 -4.15 117.16 120.03 3fiz n TYR 332 Ca -0.14 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.49 3fiz n TYR 332 Cb 0.58 0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.67 3fiz n TYR 332 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fiz s ASN 333 N -3.61 -0.48 0.77 7.72 4.22 -1.26 -4.76 114.94 117.54 3fiz s ASN 333 Ca 0.00 -0.10 -0.06 0.00 -2.14 0.00 0.00 52.86 50.56 3fiz s ASN 333 Cb 0.00 0.58 0.13 0.00 1.28 0.00 0.00 41.25 43.24 3fiz s ASN 333 CO 0.00 -0.97 1.08 -2.16 -2.04 0.00 0.00 177.10 173.00 3fiz s PRO 334 N -3.77 1.53 -0.05 3.55 0.04 -1.26 -4.05 135.00 130.98 3fiz s PRO 334 Ca 0.02 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.30 3fiz s PRO 334 Cb -0.01 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3fiz s PRO 334 CO -0.11 -1.64 -0.03 -1.64 0.04 0.00 0.00 177.00 173.62 3fiz s MET 335 N -5.34 0.74 -0.25 4.56 -1.94 0.85 -4.80 119.30 113.11 3fiz s MET 335 Ca 0.67 -0.04 -0.07 0.00 -1.71 0.00 0.00 55.69 54.53 3fiz s MET 335 Cb -0.06 -0.84 -0.02 0.00 2.01 0.00 0.00 34.83 35.91 3fiz s MET 335 CO 0.46 -0.14 0.07 1.03 -0.01 0.00 0.00 175.02 176.44 3fiz s ARG 336 N 1.17 3.59 0.25 2.03 0.52 -1.26 -1.47 118.95 123.78 3fiz s ARG 336 Ca -0.07 -0.52 0.12 0.00 -0.52 0.00 0.00 55.73 54.74 3fiz s ARG 336 Cb -0.14 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 3fiz s ARG 336 CO -0.01 -0.22 -0.20 0.14 0.02 0.00 0.00 175.30 175.02 3fiz s VAL 337 N 1.60 2.49 0.18 3.52 -7.23 -0.80 -0.67 120.40 119.49 3fiz s VAL 337 Ca 0.06 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 57.98 3fiz s VAL 337 Cb -0.15 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 3fiz s VAL 337 CO 0.03 -0.31 0.01 -1.59 -0.31 0.00 0.00 175.10 172.93 3fiz s LYS 338 N -3.26 1.12 0.77 4.82 -2.85 -0.55 -1.38 119.74 118.41 3fiz s LYS 338 Ca 0.27 -1.54 -0.11 0.00 -1.00 0.00 0.00 55.97 53.59 3fiz s LYS 338 Cb -0.06 -0.27 0.05 0.00 -2.06 0.00 0.00 37.83 35.49 3fiz s LYS 338 CO 0.14 -0.14 1.10 0.45 0.10 0.00 0.00 175.35 177.00 3fiz s SER 339 N -3.18 4.81 -0.08 0.03 0.15 -1.26 -1.72 113.70 112.46 3fiz s SER 339 Ca 0.24 1.26 -0.16 0.00 0.70 0.00 0.00 55.95 58.00 3fiz s SER 339 Cb 0.06 -2.02 0.03 0.00 -1.71 0.00 0.00 66.02 62.39 3fiz s SER 339 CO 0.04 -1.76 0.38 -0.55 1.20 0.00 0.00 173.24 172.55 3fiz s SER 340 N -4.04 -0.33 0.20 5.45 0.15 -0.81 -4.66 113.70 109.66 3fiz s SER 340 Ca 0.60 0.45 -0.00 0.00 0.70 0.00 0.00 55.95 57.69 3fiz s SER 340 Cb -0.13 0.55 0.13 0.00 -1.71 0.00 0.00 66.02 64.85 3fiz s SER 340 CO 0.53 -0.32 1.49 1.55 1.20 0.00 0.00 173.24 177.69 3fiz h PRO 341 N 4.52 0.41 -6.61 5.44 0.13 -1.98 -3.37 132.00 130.54 3fiz h PRO 341 Ca -0.28 -0.29 -0.51 0.00 -0.87 0.00 0.00 66.00 64.04 3fiz h PRO 341 Cb 1.18 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 3fiz h PRO 341 CO 0.34 0.91 0.05 1.14 -0.23 0.00 0.00 178.00 180.21 3fiz s GLN 342 N -3.77 4.03 0.54 0.86 -2.07 -1.26 -4.78 119.66 113.21 3fiz s GLN 342 Ca -0.06 0.64 -0.21 0.00 -1.82 0.00 0.00 55.36 53.91 3fiz s GLN 342 Cb 0.11 -2.61 -0.06 0.00 -1.09 0.00 0.00 33.01 29.36 3fiz s GLN 342 CO 0.83 0.27 1.15 -2.30 -1.32 0.00 0.00 175.29 173.91 3fiz n PRO 343 N 0.03 1.34 -0.83 9.60 -0.02 -1.26 -0.26 135.00 143.61 3fiz n PRO 343 Ca 0.01 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 61.84 3fiz n PRO 343 Cb 0.52 -2.32 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3fiz n PRO 343 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fiz n PRO 344 N -0.76 1.74 -1.32 0.52 -0.04 -1.26 -4.81 135.00 129.07 3fiz n PRO 344 Ca 0.11 -1.48 -0.11 0.00 -0.04 0.00 0.00 63.50 61.98 3fiz n PRO 344 Cb 0.44 -1.58 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 3fiz n PRO 344 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fiz n GLY 345 N 0.29 1.15 3.00 0.55 0.00 0.64 -4.98 105.19 105.83 3fiz n GLY 345 Ca 0.28 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3fiz n GLY 345 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fiz s ILE 346 N -2.18 0.81 -0.06 -0.61 1.01 -1.26 -1.92 121.20 116.98 3fiz s ILE 346 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3fiz s ILE 346 Cb 0.00 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.76 3fiz s ILE 346 CO 0.00 0.26 -0.06 -0.70 0.00 0.00 0.00 174.94 174.44 3fiz s GLU 347 N 0.30 1.06 -0.16 2.79 2.12 -0.70 -4.88 118.70 119.24 3fiz s GLU 347 Ca -0.05 -0.15 -0.23 0.00 0.36 0.00 0.00 54.97 54.90 3fiz s GLU 347 Cb -0.10 -1.07 -0.02 0.00 0.26 0.00 0.00 34.13 33.20 3fiz s GLU 347 CO 0.01 -0.12 0.71 0.08 -0.54 0.00 0.00 175.26 175.40 3fiz s VAL 348 N 1.12 4.98 -0.23 3.70 1.01 -1.26 -1.48 120.40 128.24 3fiz s VAL 348 Ca -0.07 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 3fiz s VAL 348 Cb -0.14 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3fiz s VAL 348 CO -0.01 0.12 0.50 -0.69 0.00 0.00 0.00 175.10 175.01 3fiz s VAL 349 N 1.72 5.11 0.27 2.92 1.01 0.15 -5.00 120.40 126.58 3fiz s VAL 349 Ca 0.34 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 3fiz s VAL 349 Cb -0.16 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3fiz s VAL 349 CO 0.13 0.15 1.19 -1.58 0.00 0.00 0.00 175.10 174.99 3fiz s GLN 350 N 1.86 4.52 -0.13 2.72 0.74 -1.26 -4.52 119.66 123.59 3fiz s GLN 350 Ca 0.22 1.95 -0.04 0.00 0.05 0.00 0.00 55.36 57.54 3fiz s GLN 350 Cb -0.15 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 3fiz s GLN 350 CO 0.09 0.02 -0.00 0.08 -0.55 0.00 0.00 175.29 174.93 3fiz s VAL 351 N -0.87 4.25 -0.66 1.34 1.01 -1.26 -5.01 120.40 119.20 3fiz s VAL 351 Ca 0.48 -0.25 0.22 0.00 0.00 0.00 0.00 61.98 62.44 3fiz s VAL 351 Cb -0.35 -2.84 -0.17 0.00 0.00 0.00 0.00 36.38 33.03 3fiz s VAL 351 CO 0.43 0.54 0.94 -1.84 0.00 0.00 0.00 175.10 175.18 3fiz n GLU 352 N 2.91 0.25 -3.64 2.72 0.28 -1.26 -4.84 120.64 117.06 3fiz n GLU 352 Ca -0.18 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.16 56.69 3fiz n GLU 352 Cb 0.53 -1.55 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 3fiz n GLU 352 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3fiz s SER 353 N -3.71 -0.62 -0.03 -1.84 0.15 -1.26 -4.46 113.70 101.93 3fiz s SER 353 Ca 0.04 1.15 -0.18 0.00 0.70 0.00 0.00 55.95 57.65 3fiz s SER 353 Cb 0.15 1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 65.59 3fiz s SER 353 CO 0.83 -0.20 0.51 -2.16 1.20 0.00 0.00 173.24 173.42 3fiz s PRO 354 N 0.50 4.22 0.29 5.44 0.04 -1.26 -5.02 135.00 139.21 3fiz s PRO 354 Ca -0.00 0.57 0.02 0.00 0.04 0.00 0.00 61.00 61.62 3fiz s PRO 354 Cb -0.05 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 3fiz s PRO 354 CO -0.05 0.40 0.10 0.14 0.04 0.00 0.00 177.00 177.62 3fiz s VAL 355 N -0.21 0.67 0.65 -0.36 -7.23 -1.26 -1.22 120.40 111.43 3fiz s VAL 355 Ca 0.27 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.51 3fiz s VAL 355 Cb -0.17 -2.64 0.11 0.00 0.56 0.00 0.00 36.38 34.24 3fiz s VAL 355 CO 0.14 0.00 0.90 0.42 -0.31 0.00 0.00 175.10 176.25 3fiz s THR 356 N -3.61 2.03 0.66 5.32 -4.23 -0.63 -4.89 115.64 110.29 3fiz s THR 356 Ca 0.37 -0.86 0.41 0.00 -1.18 0.00 0.00 61.69 60.42 3fiz s THR 356 Cb 0.07 -2.17 0.41 0.00 1.34 0.00 0.00 72.50 72.16 3fiz s THR 356 CO 0.15 0.00 2.28 0.00 -0.54 0.00 0.00 174.62 176.50 3fiz h ALA 357 N -0.15 1.13 0.00 3.99 0.00 -1.02 0.42 119.26 123.63 3fiz h ALA 357 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fiz h ALA 357 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fiz h ALA 357 CO 0.39 -0.07 -0.30 -1.33 0.00 0.00 0.00 179.25 177.94 3fiz n MET 358 N -3.13 0.28 -0.47 0.00 2.81 -1.26 -4.91 117.12 110.43 3fiz n MET 358 Ca -0.03 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3fiz n MET 358 Cb 0.14 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 3fiz n MET 358 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fiz n GLY 359 N 1.32 0.76 3.72 3.03 0.00 0.15 -5.05 105.19 109.13 3fiz n GLY 359 Ca 0.04 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3fiz n GLY 359 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fiz s TRP 360 N -2.00 3.63 0.36 1.61 0.51 -1.26 -4.72 118.94 117.07 3fiz s TRP 360 Ca 0.00 1.36 -0.28 0.00 -2.12 0.00 0.00 56.10 55.06 3fiz s TRP 360 Cb 0.00 -2.84 -0.11 0.00 -0.81 0.00 0.00 33.47 29.71 3fiz s TRP 360 CO 0.00 0.13 1.47 -2.00 -0.51 0.00 0.00 176.95 176.04 3fiz s GLU 361 N 0.58 4.15 -0.42 4.98 2.12 -1.26 -1.60 118.70 127.24 3fiz s GLU 361 Ca 0.39 2.52 -0.16 0.00 0.36 0.00 0.00 54.97 58.08 3fiz s GLU 361 Cb -0.19 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.24 3fiz s GLU 361 CO 0.21 -0.49 0.37 0.42 -0.54 0.00 0.00 175.26 175.22 3fiz s ILE 362 N -0.97 5.18 -0.42 -3.70 1.01 -0.36 -4.46 121.20 117.49 3fiz s ILE 362 Ca 0.54 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.65 3fiz s ILE 362 Cb -0.46 -4.00 0.17 0.00 0.01 0.00 0.00 42.46 38.18 3fiz s ILE 362 CO 0.59 -0.40 0.46 0.00 0.00 0.00 0.00 174.94 175.60 3fiz s ALA 363 N 1.87 -0.46 0.43 9.38 0.00 -1.26 -4.81 121.76 126.91 3fiz s ALA 363 Ca 0.08 -1.16 0.19 0.00 0.00 0.00 0.00 51.96 51.07 3fiz s ALA 363 Cb -0.19 -2.13 1.13 0.00 0.00 0.00 0.00 23.12 21.93 3fiz s ALA 363 CO 0.11 -2.13 1.85 -1.00 0.00 0.00 0.00 175.76 174.59 3fiz h PRO 364 N 6.24 0.35 -0.27 0.00 0.13 -1.94 0.16 132.00 136.67 3fiz h PRO 364 Ca 0.11 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.30 3fiz h PRO 364 Cb 1.04 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3fiz h PRO 364 CO 0.19 0.23 0.33 1.05 -0.23 0.00 0.00 178.00 179.57 3fiz h GLU 365 N 0.36 0.00 -0.33 0.86 9.09 -1.95 0.56 114.58 123.18 3fiz h GLU 365 Ca 0.48 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.81 3fiz h GLU 365 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 3fiz h GLU 365 CO -0.17 0.00 -0.14 0.78 0.05 0.00 0.00 179.01 179.53 3fiz h GLY 366 N 0.00 0.62 0.88 1.06 0.00 -1.11 -1.21 103.07 103.32 3fiz h GLY 366 Ca 0.13 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3fiz h GLY 366 CO -0.00 0.42 -0.24 -2.00 0.00 0.00 0.00 176.54 174.71 3fiz h LEU 367 N 0.52 0.61 -0.08 3.11 5.85 -1.03 -1.49 115.31 122.81 3fiz h LEU 367 Ca 0.09 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3fiz h LEU 367 Cb 0.55 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3fiz h LEU 367 CO 0.03 0.97 -0.02 0.22 -0.34 0.00 0.00 178.44 179.30 3fiz h TYR 368 N 0.26 -0.05 -0.93 1.25 5.03 -1.39 -1.07 116.97 120.08 3fiz h TYR 368 Ca 0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3fiz h TYR 368 Cb 0.80 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.07 3fiz h TYR 368 CO 0.08 -0.04 0.58 -0.44 -1.32 0.00 0.00 178.16 177.02 3fiz h ASP 369 N -0.01 1.10 -0.17 -2.11 3.32 -1.21 -1.19 116.42 116.16 3fiz h ASP 369 Ca 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3fiz h ASP 369 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3fiz h ASP 369 CO -0.08 0.83 0.11 0.25 -1.72 0.00 0.00 179.24 178.62 3fiz h LEU 370 N 1.27 0.19 -0.67 1.55 5.85 -0.85 0.78 115.31 123.43 3fiz h LEU 370 Ca 0.34 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 3fiz h LEU 370 Cb -0.09 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3fiz h LEU 370 CO -0.07 0.15 0.13 -0.07 -0.34 0.00 0.00 178.44 178.24 3fiz h LEU 371 N 0.22 1.05 -0.44 2.25 3.38 -0.95 -1.62 115.31 119.20 3fiz h LEU 371 Ca 0.06 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 3fiz h LEU 371 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3fiz h LEU 371 CO -0.01 1.04 -0.23 0.24 0.09 0.00 0.00 178.44 179.57 3fiz h MET 372 N 1.03 0.94 -0.44 1.13 2.86 -1.07 -2.25 114.93 117.13 3fiz h MET 372 Ca 0.21 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3fiz h MET 372 Cb 0.42 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3fiz h MET 372 CO 0.01 1.08 0.10 0.78 1.06 0.00 0.00 176.91 179.94 3fiz h GLY 373 N 0.78 0.76 0.99 8.32 0.00 -0.68 -0.45 103.07 112.79 3fiz h GLY 373 Ca 0.10 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3fiz h GLY 373 CO 0.07 0.45 0.09 -2.22 0.00 0.00 0.00 176.54 174.93 3fiz h ILE 374 N 0.58 1.25 -0.45 2.60 2.04 -1.30 -1.23 117.51 121.00 3fiz h ILE 374 Ca 0.14 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 3fiz h ILE 374 Cb 0.33 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3fiz h ILE 374 CO 0.00 0.33 -0.06 0.74 0.00 0.00 0.00 178.15 179.16 3fiz h THR 375 N 0.72 1.25 -0.05 -0.27 2.02 -1.25 -0.34 112.91 115.00 3fiz h THR 375 Ca 0.16 -1.10 -0.23 0.00 0.77 0.00 0.00 66.41 66.01 3fiz h THR 375 Cb 0.39 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3fiz h THR 375 CO 0.01 0.38 -0.90 0.03 0.37 0.00 0.00 175.52 175.41 3fiz h ARG 376 N 0.72 0.57 -0.01 6.66 3.08 -1.00 -2.03 114.38 122.38 3fiz h ARG 376 Ca 0.13 -0.55 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 3fiz h ARG 376 Cb 0.53 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3fiz h ARG 376 CO 0.03 1.18 -0.25 1.15 -1.07 0.00 0.00 179.97 181.00 3fiz h THR 377 N 0.35 1.53 -0.02 2.04 2.02 -1.07 -3.38 112.91 114.38 3fiz h THR 377 Ca -0.08 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3fiz h THR 377 Cb 1.53 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.66 3fiz h THR 377 CO 0.17 0.52 -0.12 -1.22 0.37 0.00 0.00 175.52 175.24 3fiz n TYR 378 N -4.51 0.00 0.00 3.16 4.01 -0.15 -5.10 117.16 114.58 3fiz n TYR 378 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3fiz n TYR 378 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3fiz n TYR 378 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fiz n GLY 379 N 0.95 2.18 3.58 2.72 0.00 -0.76 -4.85 105.19 109.01 3fiz n GLY 379 Ca 0.08 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 3fiz n GLY 379 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fiz s LYS 380 N -3.39 2.79 0.23 1.61 2.20 -1.24 -4.56 119.74 117.38 3fiz s LYS 380 Ca 0.00 -1.15 0.06 0.00 -0.36 0.00 0.00 55.97 54.52 3fiz s LYS 380 Cb 0.00 -5.27 -0.04 0.00 -1.51 0.00 0.00 37.83 31.02 3fiz s LYS 380 CO 0.00 -3.54 0.21 -0.48 -0.36 0.00 0.00 175.35 171.18 3fiz s LEU 381 N 9.54 3.89 0.20 5.43 -0.00 -1.26 -4.90 118.68 131.57 3fiz s LEU 381 Ca 0.65 -0.18 -0.32 0.00 -0.00 0.00 0.00 54.13 54.28 3fiz s LEU 381 Cb -0.01 -2.43 -0.12 0.00 -0.00 0.00 0.00 46.19 43.62 3fiz s LEU 381 CO 0.09 -0.02 1.68 -2.65 -0.00 0.00 0.00 176.35 175.45 3fiz n PRO 382 N -1.05 2.62 -4.65 1.48 -0.02 -1.26 -4.46 135.00 127.66 3fiz n PRO 382 Ca -0.08 0.94 -0.22 0.00 -2.02 0.00 0.00 63.50 62.12 3fiz n PRO 382 Cb 0.57 -2.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.13 3fiz n PRO 382 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3fiz s ILE 383 N 1.05 1.12 -0.08 4.25 1.01 -0.08 -1.24 121.20 127.23 3fiz s ILE 383 Ca 0.75 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3fiz s ILE 383 Cb -0.55 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.00 3fiz s ILE 383 CO 0.34 0.31 -0.18 -0.31 0.00 0.00 0.00 174.94 175.11 3fiz s TYR 384 N -0.34 1.96 -0.66 3.97 1.51 -0.76 -0.03 117.35 123.01 3fiz s TYR 384 Ca 0.05 -0.75 -0.25 0.00 -1.01 0.00 0.00 57.07 55.11 3fiz s TYR 384 Cb -0.05 -1.35 0.04 0.00 -0.11 0.00 0.00 41.96 40.49 3fiz s TYR 384 CO -0.01 -0.32 1.11 0.42 -1.11 0.00 0.00 175.55 175.64 3fiz s ILE 385 N 0.46 4.06 -0.85 2.71 1.01 -0.63 -0.74 121.20 127.21 3fiz s ILE 385 Ca -0.15 0.25 0.27 0.00 0.00 0.00 0.00 60.65 61.02 3fiz s ILE 385 Cb -0.16 -4.75 0.24 0.00 0.01 0.00 0.00 42.46 37.79 3fiz s ILE 385 CO 0.06 -1.52 1.79 0.35 0.00 0.00 0.00 174.94 175.61 3fiz n THR 386 N 6.27 0.31 -3.64 2.92 -2.24 -0.42 -0.57 114.28 116.89 3fiz n THR 386 Ca 0.02 -0.15 -0.05 0.00 -2.27 0.00 0.00 64.05 61.59 3fiz n THR 386 Cb 0.48 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3fiz n THR 386 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fiz s GLU 387 N -3.06 0.66 -0.29 -0.78 2.02 -1.20 -4.69 118.70 111.37 3fiz s GLU 387 Ca 0.12 1.28 -0.14 0.00 0.02 0.00 0.00 54.97 56.25 3fiz s GLU 387 Cb 0.15 0.35 0.12 0.00 0.10 0.00 0.00 34.13 34.85 3fiz s GLU 387 CO 0.58 -0.17 0.77 1.21 0.02 0.00 0.00 175.26 177.68 3fiz s ASN 388 N 2.00 -0.89 0.00 -0.19 2.47 -1.21 -1.33 114.94 115.78 3fiz s ASN 388 Ca -0.09 1.31 -0.00 0.00 0.42 0.00 0.00 52.86 54.50 3fiz s ASN 388 Cb -0.07 1.76 0.00 0.00 -1.45 0.00 0.00 41.25 41.49 3fiz s ASN 388 CO -0.19 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 3fiz n GLY 389 N 4.77 0.84 3.31 1.21 0.00 -1.26 -1.19 105.19 112.87 3fiz n GLY 389 Ca -0.15 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 3fiz n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fiz s ALA 390 N -1.00 -0.89 -0.14 4.61 0.00 -1.26 -4.88 121.76 118.20 3fiz s ALA 390 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 3fiz s ALA 390 Cb -0.00 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 3fiz s ALA 390 CO 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 175.76 175.04 3fiz s ALA 391 N -3.51 2.58 0.09 0.00 0.00 -1.26 -4.40 121.76 115.26 3fiz s ALA 391 Ca 0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3fiz s ALA 391 Cb 0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3fiz s ALA 391 CO -0.10 0.11 0.03 -0.06 0.00 0.00 0.00 175.76 175.74 3fiz s PHE 392 N 0.58 0.64 -0.31 0.00 0.08 -1.22 -0.32 117.98 117.44 3fiz s PHE 392 Ca -0.08 -1.11 -0.29 0.00 0.12 0.00 0.00 56.93 55.57 3fiz s PHE 392 Cb -0.16 -0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 41.88 3fiz s PHE 392 CO 0.03 -0.46 1.56 -0.51 -0.10 0.00 0.00 175.22 175.75 3fiz s ASP 393 N -2.97 6.29 -0.17 1.36 1.11 -1.26 -4.48 116.67 116.55 3fiz s ASP 393 Ca 0.14 1.26 -0.07 0.00 0.18 0.00 0.00 52.55 54.07 3fiz s ASP 393 Cb 0.07 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 3fiz s ASP 393 CO -0.05 -1.39 0.05 -1.81 1.18 0.00 0.00 175.17 173.15 3fiz s ASP 394 N 4.39 5.52 -0.09 0.27 1.01 -1.26 -5.05 116.67 121.47 3fiz s ASP 394 Ca 0.68 0.07 -0.03 0.00 0.71 0.00 0.00 52.55 53.99 3fiz s ASP 394 Cb -0.20 -1.91 0.05 0.00 1.01 0.00 0.00 42.92 41.87 3fiz s ASP 394 CO 0.30 0.20 0.16 -1.58 0.21 0.00 0.00 175.17 174.46 3fiz s GLN 395 N 0.22 0.03 0.33 8.23 0.74 -1.26 -5.11 119.66 122.85 3fiz s GLN 395 Ca 0.03 0.54 -0.29 0.00 0.05 0.00 0.00 55.36 55.69 3fiz s GLN 395 Cb -0.12 -0.32 -0.12 0.00 1.10 0.00 0.00 33.01 33.55 3fiz s GLN 395 CO 0.01 -0.32 1.48 -2.30 -0.55 0.00 0.00 175.29 173.60 3fiz n PRO 396 N 5.32 2.52 -2.32 1.67 -0.02 -1.26 -4.73 135.00 136.19 3fiz n PRO 396 Ca -0.04 0.89 -0.26 0.00 -2.02 0.00 0.00 63.50 62.06 3fiz n PRO 396 Cb 0.50 -2.60 0.16 0.00 -0.02 0.00 0.00 33.50 31.53 3fiz n PRO 396 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3fiz s ASP 397 N 0.06 3.62 0.41 2.55 1.47 0.13 -4.85 116.67 120.06 3fiz s ASP 397 Ca 0.58 -0.19 0.19 0.00 1.18 0.00 0.00 52.55 54.31 3fiz s ASP 397 Cb -0.52 0.04 1.12 0.00 -0.34 0.00 0.00 42.92 43.23 3fiz s ASP 397 CO 0.58 -2.37 1.79 1.56 0.68 0.00 0.00 175.17 177.40 3fiz h GLN 398 N -1.10 0.37 -0.00 2.11 4.20 -1.94 0.43 115.11 119.18 3fiz h GLN 398 Ca -0.39 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.30 3fiz h GLN 398 Cb 1.24 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3fiz h GLN 398 CO 0.36 0.24 -0.10 0.45 -0.67 0.00 0.00 178.83 179.11 3fiz n SER 399 N -4.58 0.14 0.00 1.46 2.88 -1.26 -4.90 113.62 107.35 3fiz n SER 399 Ca 0.24 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 3fiz n SER 399 Cb 0.86 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3fiz n SER 399 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fiz n GLY 400 N 1.44 0.74 3.86 0.46 0.00 0.15 -5.06 105.19 106.78 3fiz n GLY 400 Ca 0.09 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3fiz n GLY 400 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fiz s GLN 401 N -0.57 3.92 -0.38 1.61 -0.21 -1.26 -4.74 119.66 118.04 3fiz s GLN 401 Ca 0.00 0.49 0.04 0.00 0.02 0.00 0.00 55.36 55.91 3fiz s GLN 401 Cb 0.00 -2.59 0.11 0.00 1.00 0.00 0.00 33.01 31.53 3fiz s GLN 401 CO 0.00 0.26 0.11 0.08 -2.12 0.00 0.00 175.29 173.62 3fiz s VAL 402 N -1.85 2.24 -0.28 1.09 1.01 -1.26 -0.69 120.40 120.66 3fiz s VAL 402 Ca 0.49 -2.53 -0.12 0.00 0.00 0.00 0.00 61.98 59.82 3fiz s VAL 402 Cb -0.11 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3fiz s VAL 402 CO 0.19 -0.66 0.22 0.20 0.00 0.00 0.00 175.10 175.05 3fiz s ASN 403 N 0.64 6.06 -0.56 3.32 0.01 -1.26 -0.92 114.94 122.23 3fiz s ASN 403 Ca 0.13 0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.37 3fiz s ASN 403 Cb -0.21 -2.13 0.25 0.00 0.41 0.00 0.00 41.25 39.57 3fiz s ASN 403 CO -0.07 -0.07 0.69 -0.90 -1.51 0.00 0.00 177.10 175.23 3fiz n ASP 404 N 5.10 2.68 0.03 -1.22 5.75 -1.26 -4.91 116.55 122.72 3fiz n ASP 404 Ca -0.13 -3.22 0.18 0.00 -0.01 0.00 0.00 54.79 51.61 3fiz n ASP 404 Cb 0.52 -0.66 0.67 0.00 -1.03 0.00 0.00 41.12 40.62 3fiz n ASP 404 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3fiz h PRO 405 N 4.06 0.02 -0.24 0.11 0.13 -1.99 -1.03 132.00 133.06 3fiz h PRO 405 Ca 0.16 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 3fiz h PRO 405 Cb 0.73 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3fiz h PRO 405 CO 0.72 0.01 -0.44 1.96 -0.23 0.00 0.00 178.00 180.03 3fiz h GLN 406 N 0.02 0.61 -0.26 0.86 4.20 -1.99 0.14 115.11 118.69 3fiz h GLN 406 Ca 0.22 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 3fiz h GLN 406 Cb 0.84 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3fiz h GLN 406 CO -0.01 0.93 -0.42 -0.09 -0.67 0.00 0.00 178.83 178.57 3fiz h ARG 407 N 0.49 0.62 -0.61 1.46 2.43 -1.61 -1.03 114.38 116.13 3fiz h ARG 407 Ca 0.04 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3fiz h ARG 407 Cb 0.96 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 3fiz h ARG 407 CO 0.09 0.93 0.23 0.28 -1.51 0.00 0.00 179.97 179.99 3fiz h VAL 408 N 0.51 1.23 -0.80 0.20 2.07 -1.13 -1.26 116.25 117.08 3fiz h VAL 408 Ca 0.04 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3fiz h VAL 408 Cb 0.94 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3fiz h VAL 408 CO 0.09 0.29 0.38 1.23 0.02 0.00 0.00 177.57 179.57 3fiz h GLY 409 N 0.86 1.23 0.82 2.17 0.00 -0.66 0.58 103.07 108.07 3fiz h GLY 409 Ca 0.20 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3fiz h GLY 409 CO -0.01 0.58 -0.05 -1.82 0.00 0.00 0.00 176.54 175.23 3fiz h TYR 410 N 1.13 -0.13 -0.70 5.60 5.03 -0.76 -2.35 116.97 124.80 3fiz h TYR 410 Ca 0.27 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 3fiz h TYR 410 Cb 0.12 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 3fiz h TYR 410 CO 0.01 0.08 0.34 0.74 -1.32 0.00 0.00 178.16 178.01 3fiz h PHE 411 N -0.32 1.01 -0.16 -3.82 0.05 -1.02 -1.71 116.94 110.98 3fiz h PHE 411 Ca -0.01 -0.05 0.05 0.00 3.82 0.00 0.00 57.97 61.78 3fiz h PHE 411 Cb 0.26 -0.31 -0.06 0.00 2.00 0.00 0.00 35.95 37.84 3fiz h PHE 411 CO -0.01 0.75 -0.26 0.37 -0.18 0.00 0.00 178.31 178.97 3fiz h GLN 412 N 0.98 -0.31 -0.47 1.51 5.75 -0.82 0.34 115.11 122.09 3fiz h GLN 412 Ca 0.24 0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.67 3fiz h GLN 412 Cb 0.12 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 3fiz h GLN 412 CO -0.03 -0.21 -0.08 0.78 -2.65 0.00 0.00 178.83 176.65 3fiz h GLY 413 N -0.32 0.95 1.07 2.39 0.00 -1.27 -2.41 103.07 103.48 3fiz h GLY 413 Ca 0.11 -0.76 -0.16 0.00 0.00 0.00 0.00 47.33 46.51 3fiz h GLY 413 CO -0.34 0.70 -0.47 0.45 0.00 0.00 0.00 176.54 176.87 3fiz h HIS 414 N 0.72 1.00 -0.06 5.60 3.86 -1.08 -1.26 115.15 123.93 3fiz h HIS 414 Ca 0.12 -0.35 -0.07 0.00 -1.16 0.00 0.00 60.37 58.91 3fiz h HIS 414 Cb 0.61 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3fiz h HIS 414 CO 0.05 1.16 -0.30 0.82 0.86 0.00 0.00 177.93 180.51 3fiz h ILE 415 N 0.56 1.24 -0.21 2.45 2.04 -1.00 -0.56 117.51 122.03 3fiz h ILE 415 Ca 0.02 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 3fiz h ILE 415 Cb 1.08 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3fiz h ILE 415 CO 0.11 0.33 -0.04 1.23 0.00 0.00 0.00 178.15 179.79 3fiz h GLY 416 N 0.99 0.43 1.28 5.37 0.00 -1.25 -0.65 103.07 109.24 3fiz h GLY 416 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3fiz h GLY 416 CO 0.04 0.32 0.34 0.00 0.00 0.00 0.00 176.54 177.24 3fiz h ALA 417 N 0.76 1.34 -0.47 3.60 0.00 -0.82 -1.44 119.26 122.22 3fiz h ALA 417 Ca 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fiz h ALA 417 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3fiz h ALA 417 CO 0.02 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.80 3fiz h ALA 418 N 1.44 1.12 -0.37 0.00 0.00 -0.83 -1.36 119.26 119.25 3fiz h ALA 418 Ca 0.24 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3fiz h ALA 418 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fiz h ALA 418 CO -0.03 0.56 -0.25 -0.09 0.00 0.00 0.00 179.25 179.44 3fiz h ARG 419 N 0.73 0.76 -0.54 0.00 9.65 -0.34 -2.05 114.38 122.59 3fiz h ARG 419 Ca 0.14 -0.32 -0.06 0.00 -1.10 0.00 0.00 59.98 58.65 3fiz h ARG 419 Cb 0.44 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 3fiz h ARG 419 CO 0.02 0.94 0.11 0.00 2.80 0.00 0.00 179.97 183.84 3fiz h ARG 420 N 0.66 0.85 -0.63 0.20 3.08 -0.83 -0.43 114.38 117.28 3fiz h ARG 420 Ca 0.09 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3fiz h ARG 420 Cb 0.77 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3fiz h ARG 420 CO 0.06 0.77 0.05 0.00 -1.07 0.00 0.00 179.97 179.79 3fiz h ALA 421 N 1.31 0.85 -0.51 0.04 0.00 -0.96 -0.90 119.26 119.09 3fiz h ALA 421 Ca 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3fiz h ALA 421 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3fiz h ALA 421 CO 0.00 0.65 0.13 1.25 0.00 0.00 0.00 179.25 181.28 3fiz h LEU 422 N 0.99 0.78 -1.58 0.00 6.46 -0.88 -0.79 115.31 120.29 3fiz h LEU 422 Ca 0.19 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.67 3fiz h LEU 422 Cb 0.50 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3fiz h LEU 422 CO 0.02 0.81 -0.22 0.00 -0.62 0.00 0.00 178.44 178.42 3fiz h ALA 423 N 1.00 1.52 -0.34 1.25 0.00 -0.82 -2.29 119.26 119.58 3fiz h ALA 423 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fiz h ALA 423 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fiz h ALA 423 CO 0.00 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 3fiz n ASP 424 N -4.11 3.19 0.00 0.00 8.00 -0.36 -4.91 116.55 118.36 3fiz n ASP 424 Ca -0.02 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.11 3fiz n ASP 424 Cb 0.29 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3fiz n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fiz n GLY 425 N 0.56 0.59 3.71 0.44 0.00 -0.86 -5.03 105.19 104.60 3fiz n GLY 425 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3fiz n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fiz s VAL 426 N -2.00 4.72 -1.41 1.61 1.01 -0.36 -4.94 120.40 119.02 3fiz s VAL 426 Ca 0.00 2.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.87 3fiz s VAL 426 Cb 0.00 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.17 3fiz s VAL 426 CO 0.00 0.18 2.18 -0.67 0.00 0.00 0.00 175.10 176.80 3fiz n ASP 427 N 3.69 4.78 -4.67 3.32 2.03 -1.26 -4.33 116.55 120.10 3fiz n ASP 427 Ca 0.06 -2.92 -0.42 0.00 0.52 0.00 0.00 54.79 52.03 3fiz n ASP 427 Cb 0.50 -1.58 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 3fiz n ASP 427 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3fiz s LEU 428 N 1.14 4.16 -0.05 -2.67 2.96 -1.26 -0.90 118.68 122.05 3fiz s LEU 428 Ca 0.47 1.22 0.19 0.00 -0.22 0.00 0.00 54.13 55.79 3fiz s LEU 428 Cb 0.13 -3.30 -0.30 0.00 0.50 0.00 0.00 46.19 43.22 3fiz s LEU 428 CO -0.06 -0.46 0.38 0.54 -1.32 0.00 0.00 176.35 175.43 3fiz n ARG 429 N 5.48 0.66 -3.75 1.98 5.12 0.96 -4.93 116.66 122.20 3fiz n ARG 429 Ca 0.06 -0.15 -0.04 0.00 -1.93 0.00 0.00 57.85 55.78 3fiz n ARG 429 Cb 0.48 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 3fiz n ARG 429 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3fiz s GLY 430 N -4.45 -0.24 -0.05 -0.13 0.00 -1.25 -1.69 107.32 99.51 3fiz s GLY 430 Ca -0.08 0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.76 3fiz s GLY 430 CO 0.82 0.02 0.09 -0.47 0.00 0.00 0.00 173.10 173.56 3fiz s TYR 431 N -3.35 -0.04 -0.25 1.90 5.04 -0.63 -1.61 117.35 118.41 3fiz s TYR 431 Ca 0.11 0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.10 3fiz s TYR 431 Cb -0.02 -0.32 0.03 0.00 0.35 0.00 0.00 41.96 42.00 3fiz s TYR 431 CO 0.02 -0.19 -0.06 0.71 -1.34 0.00 0.00 175.55 174.68 3fiz s TYR 432 N 1.88 3.09 -0.12 4.97 1.51 0.27 -0.75 117.35 128.19 3fiz s TYR 432 Ca 0.00 -1.63 -0.30 0.00 -1.01 0.00 0.00 57.07 54.13 3fiz s TYR 432 Cb -0.12 -2.05 -0.08 0.00 -0.11 0.00 0.00 41.96 39.60 3fiz s TYR 432 CO -0.04 -0.75 2.08 0.00 -1.11 0.00 0.00 175.55 175.74 3fiz n ALA 433 N 4.65 1.53 -2.45 3.71 0.00 -0.77 -3.34 120.51 123.84 3fiz n ALA 433 Ca -0.16 0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 3fiz n ALA 433 Cb 0.46 -2.75 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 3fiz n ALA 433 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3fiz s TRP 434 N 6.24 2.97 0.36 0.00 -0.11 -0.34 -1.76 118.94 126.30 3fiz s TRP 434 Ca 0.96 1.10 0.09 0.00 1.22 0.00 0.00 56.10 59.47 3fiz s TRP 434 Cb -0.46 -3.46 -0.06 0.00 -1.50 0.00 0.00 33.47 27.99 3fiz s TRP 434 CO 0.41 -1.50 -0.00 0.45 -4.62 0.00 0.00 176.95 171.69 3fiz s SER 435 N 1.79 4.05 0.14 5.86 0.15 -0.80 -4.03 113.70 120.85 3fiz s SER 435 Ca 0.54 -1.10 -0.23 0.00 0.70 0.00 0.00 55.95 55.86 3fiz s SER 435 Cb -0.22 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 3fiz s SER 435 CO 0.16 -0.28 1.64 0.25 1.20 0.00 0.00 173.24 176.20 3fiz h LEU 436 N 1.82 -0.71 -9.07 3.45 5.85 -1.58 -2.29 115.31 112.78 3fiz h LEU 436 Ca -0.43 0.12 -0.66 0.00 0.84 0.00 0.00 57.88 57.75 3fiz h LEU 436 Cb 1.25 0.32 -0.19 0.00 0.37 0.00 0.00 40.66 42.42 3fiz h LEU 436 CO 0.70 -0.27 -0.81 -0.76 -0.34 0.00 0.00 178.44 176.95 3fiz s LEU 437 N -10.46 2.55 0.43 2.25 1.43 -1.26 -2.21 118.68 111.41 3fiz s LEU 437 Ca -0.15 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 51.96 3fiz s LEU 437 Cb 0.11 -1.33 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 3fiz s LEU 437 CO 0.67 0.14 1.30 -1.81 0.23 0.00 0.00 176.35 176.88 3fiz s ASP 438 N -2.48 6.16 0.00 2.29 1.01 -1.02 -3.93 116.67 118.70 3fiz s ASP 438 Ca 0.20 2.63 0.00 0.00 0.71 0.00 0.00 52.55 56.09 3fiz s ASP 438 Cb -0.09 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.21 3fiz s ASP 438 CO 0.10 -0.95 0.00 -0.46 0.21 0.00 0.00 175.17 174.07 3fiz n ASN 439 N -0.09 0.00 -4.56 0.27 0.23 -1.26 -4.79 115.26 105.06 3fiz n ASN 439 Ca 0.05 -0.68 -0.40 0.00 -0.53 0.00 0.00 54.58 53.02 3fiz n ASN 439 Cb 0.44 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 3fiz n ASN 439 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3fiz s PHE 440 N -4.84 1.97 -1.48 -2.53 5.36 -0.85 -4.66 117.98 110.95 3fiz s PHE 440 Ca 0.00 0.46 -0.09 0.00 -0.96 0.00 0.00 56.93 56.34 3fiz s PHE 440 Cb 0.00 -4.32 0.01 0.00 -0.34 0.00 0.00 43.02 38.38 3fiz s PHE 440 CO 0.00 -2.20 2.62 -1.91 -1.46 0.00 0.00 175.22 172.27 3fiz n GLU 441 N 9.13 3.95 0.00 10.12 4.07 0.10 -4.72 120.64 143.29 3fiz n GLU 441 Ca 0.14 -2.78 0.00 0.00 -0.06 0.00 0.00 57.16 54.46 3fiz n GLU 441 Cb 0.50 -2.79 0.00 0.00 -0.06 0.00 0.00 31.44 29.09 3fiz n GLU 441 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 3fiz n TRP 442 N 3.16 0.00 0.31 4.31 7.02 -1.26 -0.97 117.44 130.00 3fiz n TRP 442 Ca 0.68 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 57.36 3fiz n TRP 442 Cb 0.26 0.00 0.96 0.00 -2.42 0.00 0.00 31.31 30.10 3fiz n TRP 442 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3fiz h ALA 443 N -0.05 1.00 -0.00 6.99 0.00 -1.89 -1.19 119.26 124.13 3fiz h ALA 443 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fiz h ALA 443 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fiz h ALA 443 CO 0.00 0.00 -0.15 0.39 0.00 0.00 0.00 179.25 179.49 3fiz n GLU 444 N -3.09 0.15 0.00 0.00 -0.58 -0.15 -1.93 120.64 115.04 3fiz n GLU 444 Ca -0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3fiz n GLU 444 Cb 0.19 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3fiz n GLU 444 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fiz n GLY 445 N 1.45 2.66 1.57 0.62 0.00 -0.45 -2.45 105.19 108.59 3fiz n GLY 445 Ca 0.08 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.83 3fiz n GLY 445 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fiz n TYR 446 N 13.58 1.43 1.02 1.61 4.01 -1.26 -0.72 117.16 136.84 3fiz n TYR 446 Ca 0.00 -0.58 0.13 0.00 -0.16 0.00 0.00 57.90 57.29 3fiz n TYR 446 Cb 0.00 -0.21 0.61 0.00 -0.31 0.00 0.00 39.34 39.43 3fiz n TYR 446 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3fiz n SER 447 N 1.21 0.00 -4.11 7.72 3.41 -1.03 -4.68 113.62 116.14 3fiz n SER 447 Ca 0.26 0.39 -0.30 0.00 -0.26 0.00 0.00 58.87 58.96 3fiz n SER 447 Cb 0.86 -0.46 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 3fiz n SER 447 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3fiz s LYS 448 N -2.93 2.54 -0.24 4.33 -0.14 -1.26 -5.04 119.74 116.99 3fiz s LYS 448 Ca 0.16 -0.68 -0.05 0.00 -1.36 0.00 0.00 55.97 54.04 3fiz s LYS 448 Cb 0.18 -2.06 -0.00 0.00 -1.68 0.00 0.00 37.83 34.27 3fiz s LYS 448 CO 0.49 0.00 -0.00 1.03 -0.76 0.00 0.00 175.35 176.11 3fiz s ARG 449 N 0.79 3.29 0.00 1.68 0.52 -1.26 -4.63 118.95 119.33 3fiz s ARG 449 Ca -0.10 -0.70 0.11 0.00 -0.52 0.00 0.00 55.73 54.53 3fiz s ARG 449 Cb -0.16 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.21 3fiz s ARG 449 CO 0.01 -0.27 0.73 1.19 0.02 0.00 0.00 175.30 176.98 3fiz n PHE 450 N 4.81 0.00 -1.99 -0.53 3.01 -1.26 -3.37 117.46 118.14 3fiz n PHE 450 Ca -0.17 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.97 3fiz n PHE 450 Cb 0.50 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.98 3fiz n PHE 450 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3fiz s GLY 451 N -1.28 1.95 0.00 1.37 0.00 -1.25 -1.91 107.32 106.19 3fiz s GLY 451 Ca 0.11 0.21 0.24 0.00 0.00 0.00 0.00 44.72 45.28 3fiz s GLY 451 CO 0.23 0.51 1.29 0.29 0.00 0.00 0.00 173.10 175.43 3fiz n ILE 452 N -2.28 0.00 -4.11 0.90 -5.35 -0.86 -4.73 119.36 102.93 3fiz n ILE 452 Ca 0.08 -0.10 -0.30 0.00 -0.27 0.00 0.00 62.75 62.15 3fiz n ILE 452 Cb 0.53 0.67 -0.16 0.00 -1.74 0.00 0.00 39.64 38.94 3fiz n ILE 452 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3fiz s ILE 453 N -2.71 1.63 0.21 7.28 1.01 -0.94 -1.43 121.20 126.25 3fiz s ILE 453 Ca 0.17 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 3fiz s ILE 453 Cb 0.18 -1.51 -0.08 0.00 0.01 0.00 0.00 42.46 41.05 3fiz s ILE 453 CO 0.64 0.47 1.08 -0.47 0.00 0.00 0.00 174.94 176.67 3fiz s TYR 454 N 1.38 3.63 -0.15 3.97 6.14 0.17 -2.44 117.35 130.05 3fiz s TYR 454 Ca 0.03 1.66 0.01 0.00 0.64 0.00 0.00 57.07 59.40 3fiz s TYR 454 Cb -0.13 -3.25 0.02 0.00 0.42 0.00 0.00 41.96 39.02 3fiz s TYR 454 CO -0.09 -0.49 -0.16 0.08 0.64 0.00 0.00 175.55 175.53 3fiz s VAL 455 N -0.57 1.68 -0.52 3.14 1.01 -1.26 -0.53 120.40 123.34 3fiz s VAL 455 Ca 0.47 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 3fiz s VAL 455 Cb -0.30 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.56 3fiz s VAL 455 CO 0.36 0.48 0.94 -0.62 0.00 0.00 0.00 175.10 176.26 3fiz s ASP 456 N 1.40 6.39 0.00 3.32 -1.08 -0.38 -4.90 116.67 121.41 3fiz s ASP 456 Ca 0.04 -0.20 0.15 0.00 -0.52 0.00 0.00 52.55 52.02 3fiz s ASP 456 Cb -0.13 -2.44 0.79 0.00 -1.46 0.00 0.00 42.92 39.67 3fiz s ASP 456 CO -0.10 -1.18 1.38 0.49 0.52 0.00 0.00 175.17 176.28 3fiz n PHE 457 N 7.40 0.00 0.01 -5.34 3.01 -1.26 0.11 117.46 121.39 3fiz n PHE 457 Ca 0.03 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.29 3fiz n PHE 457 Cb 0.48 -0.21 -0.14 0.00 -0.01 0.00 0.00 39.48 39.60 3fiz n PHE 457 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3fiz h GLU 458 N 0.00 0.25 0.00 -1.08 5.08 -1.97 -3.39 114.58 113.46 3fiz h GLU 458 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3fiz h GLU 458 Cb 0.10 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3fiz h GLU 458 CO 0.00 1.14 -0.98 0.25 -1.00 0.00 0.00 179.01 178.43 3fiz n THR 459 N -3.45 0.00 -1.18 1.13 -2.24 -1.08 -4.99 114.28 102.48 3fiz n THR 459 Ca -0.28 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 3fiz n THR 459 Cb 1.05 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 3fiz n THR 459 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fiz n GLN 460 N -1.55 -0.75 -2.45 -0.78 1.13 0.30 -4.98 117.38 108.30 3fiz n GLN 460 Ca 0.01 0.61 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 3fiz n GLN 460 Cb 0.26 -4.44 -0.03 0.00 0.11 0.00 0.00 30.24 26.14 3fiz n GLN 460 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3fiz s GLN 461 N -2.11 4.48 -0.08 -1.09 0.74 -1.19 -4.79 119.66 115.61 3fiz s GLN 461 Ca 0.00 1.76 -0.03 0.00 0.05 0.00 0.00 55.36 57.14 3fiz s GLN 461 Cb 0.00 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 3fiz s GLN 461 CO 0.00 -0.16 0.06 1.03 -0.55 0.00 0.00 175.29 175.67 3fiz s ARG 462 N 0.59 3.13 -0.04 1.67 3.00 -1.26 -1.25 118.95 124.78 3fiz s ARG 462 Ca 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 55.73 55.92 3fiz s ARG 462 Cb -0.29 -2.92 0.03 0.00 0.00 0.00 0.00 34.95 31.77 3fiz s ARG 462 CO 0.31 0.71 0.04 0.99 0.00 0.00 0.00 175.30 177.35 3fiz s THR 463 N -1.00 0.02 0.18 0.02 2.01 0.31 -4.96 115.64 112.22 3fiz s THR 463 Ca 0.16 0.32 -0.32 0.00 0.31 0.00 0.00 61.69 62.16 3fiz s THR 463 Cb -0.12 -0.23 -0.11 0.00 0.01 0.00 0.00 72.50 72.05 3fiz s THR 463 CO 0.06 0.19 1.65 -0.76 -0.69 0.00 0.00 174.62 175.06 3fiz s LEU 464 N 1.93 4.37 0.79 4.42 1.43 -1.26 0.46 118.68 130.82 3fiz s LEU 464 Ca 0.02 2.72 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 3fiz s LEU 464 Cb -0.12 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.63 3fiz s LEU 464 CO -0.03 -0.90 1.11 -0.54 0.23 0.00 0.00 176.35 176.22 3fiz s LYS 465 N 1.31 1.57 0.28 1.70 1.02 -0.51 -4.58 119.74 120.53 3fiz s LYS 465 Ca 0.73 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 56.16 3fiz s LYS 465 Cb -0.46 -2.11 0.41 0.00 -0.52 0.00 0.00 37.83 35.15 3fiz s LYS 465 CO 0.32 -1.67 1.91 0.37 -0.92 0.00 0.00 175.35 175.37 3fiz h GLN 466 N -0.91 1.14 -0.71 1.68 4.15 -1.32 -2.14 115.11 117.00 3fiz h GLN 466 Ca -0.42 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3fiz h GLN 466 Cb 1.28 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 3fiz h GLN 466 CO 0.48 0.75 0.46 0.66 -1.93 0.00 0.00 178.83 179.25 3fiz h SER 467 N 1.17 0.83 -0.41 -0.69 4.64 -1.84 -0.81 113.55 116.43 3fiz h SER 467 Ca 0.39 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.55 3fiz h SER 467 Cb 0.06 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3fiz h SER 467 CO -0.13 0.61 -0.24 0.00 -0.87 0.00 0.00 176.83 176.21 3fiz h ALA 468 N 1.54 0.73 -0.50 5.18 0.00 -1.46 0.11 119.26 124.87 3fiz h ALA 468 Ca 0.26 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3fiz h ALA 468 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3fiz h ALA 468 CO -0.05 0.67 0.15 1.96 0.00 0.00 0.00 179.25 181.97 3fiz h GLN 469 N 0.80 0.78 -0.24 0.00 4.20 -1.20 -1.03 115.11 118.42 3fiz h GLN 469 Ca 0.10 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3fiz h GLN 469 Cb 0.80 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3fiz h GLN 469 CO 0.07 0.73 0.14 2.35 -0.67 0.00 0.00 178.83 181.44 3fiz h TRP 470 N 0.67 0.33 -0.73 2.96 7.01 -1.00 -2.73 115.95 122.46 3fiz h TRP 470 Ca 0.16 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.16 3fiz h TRP 470 Cb 0.28 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 3fiz h TRP 470 CO 0.02 0.27 0.46 -0.92 -2.79 0.00 0.00 178.44 175.48 3fiz h TYR 471 N 0.29 0.94 -0.74 2.65 3.20 -0.73 -1.62 116.97 120.96 3fiz h TYR 471 Ca 0.09 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 3fiz h TYR 471 Cb 0.05 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 3fiz h TYR 471 CO -0.04 0.61 0.47 -0.09 -1.64 0.00 0.00 178.16 177.46 3fiz h ARG 472 N 1.00 0.88 -0.62 1.82 2.43 -0.89 -1.03 114.38 117.96 3fiz h ARG 472 Ca 0.27 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3fiz h ARG 472 Cb -0.08 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 3fiz h ARG 472 CO -0.05 0.58 0.10 -0.44 -1.51 0.00 0.00 179.97 178.65 3fiz h ASP 473 N 0.90 0.97 -0.64 -3.80 3.32 -1.10 -0.61 116.42 115.46 3fiz h ASP 473 Ca 0.30 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fiz h ASP 473 Cb 0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3fiz h ASP 473 CO -0.12 0.97 0.39 0.58 -1.72 0.00 0.00 179.24 179.33 3fiz h VAL 474 N 0.96 1.18 -0.26 -1.35 2.07 -0.70 0.13 116.25 118.29 3fiz h VAL 474 Ca 0.19 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3fiz h VAL 474 Cb 0.41 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3fiz h VAL 474 CO 0.01 0.19 0.01 0.40 0.02 0.00 0.00 177.57 178.20 3fiz h ILE 475 N 0.86 1.25 -0.38 4.57 2.04 -0.83 0.79 117.51 125.82 3fiz h ILE 475 Ca 0.23 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3fiz h ILE 475 Cb -0.03 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3fiz h ILE 475 CO -0.04 0.28 0.24 0.00 0.00 0.00 0.00 178.15 178.62 3fiz h ALA 476 N 0.83 0.48 -0.00 1.87 0.00 -0.82 -1.81 119.26 119.80 3fiz h ALA 476 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fiz h ALA 476 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3fiz h ALA 476 CO 0.01 -0.08 -0.08 -1.71 0.00 0.00 0.00 179.25 177.39 3fiz n ASN 477 N -4.84 0.09 -3.58 0.00 5.15 0.45 -4.92 115.26 107.61 3fiz n ASN 477 Ca 0.00 0.29 -0.26 0.00 -0.60 0.00 0.00 54.58 54.01 3fiz n ASN 477 Cb 0.04 -0.36 0.03 0.00 -0.53 0.00 0.00 39.78 38.96 3fiz n ASN 477 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3fiz n ASN 478 N -1.46 -5.01 0.00 1.20 5.15 0.25 -4.88 115.26 110.52 3fiz n ASN 478 Ca 0.08 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 3fiz n ASN 478 Cb 0.33 -4.03 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 3fiz n ASN 478 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fiz n GLY 479 N -1.57 0.59 3.86 8.20 0.00 0.04 -1.08 105.19 115.22 3fiz n GLY 479 Ca -0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 3fiz n GLY 479 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fiz s LEU 480 N 0.00 3.25 0.00 0.99 1.43 -1.26 -4.44 118.68 118.64 3fiz s LEU 480 Ca 0.00 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 3fiz s LEU 480 Cb 0.00 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.74 3fiz s LEU 480 CO 0.00 -0.98 0.16 -0.62 0.23 0.00 0.00 176.35 175.14