#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fur s ALA 17 N 0.00 3.85 0.05 5.13 0.00 -1.26 -1.67 121.76 127.86 2fur s ALA 17 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2fur s ALA 17 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2fur s ALA 17 CO 0.00 0.29 -0.05 0.45 0.00 0.00 0.00 175.76 176.45 2fur s SER 18 N -3.61 0.67 -0.01 0.00 0.15 -1.26 -4.94 113.70 104.70 2fur s SER 18 Ca 0.37 -0.70 0.01 0.00 0.70 0.00 0.00 55.95 56.33 2fur s SER 18 Cb -0.10 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 2fur s SER 18 CO 0.30 -0.35 0.89 -1.22 1.20 0.00 0.00 173.24 174.06 2fur n TYR 19 N 0.97 0.00 -2.32 3.44 4.01 -1.26 -4.61 117.16 117.39 2fur n TYR 19 Ca -0.20 -0.08 -0.42 0.00 -0.16 0.00 0.00 57.90 57.05 2fur n TYR 19 Cb 0.57 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 2fur n TYR 19 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2fur s SER 20 N -0.88 6.94 0.22 7.72 0.15 -1.26 -4.96 113.70 121.64 2fur s SER 20 Ca 0.02 2.03 -0.07 0.00 0.70 0.00 0.00 55.95 58.63 2fur s SER 20 Cb 0.02 -2.57 0.31 0.00 -1.71 0.00 0.00 66.02 62.07 2fur s SER 20 CO 0.00 -0.63 1.81 0.44 1.20 0.00 0.00 173.24 176.06 2fur h ASP 21 N 7.45 0.60 -0.88 5.45 3.32 -1.99 -1.62 116.42 128.75 2fur h ASP 21 Ca -0.38 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 2fur h ASP 21 Cb 1.18 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 2fur h ASP 21 CO 0.88 0.37 0.48 -0.33 -1.72 0.00 0.00 179.24 178.91 2fur h GLU 22 N 0.73 1.23 -0.07 3.56 3.07 -2.00 -1.05 114.58 120.05 2fur h GLU 22 Ca 0.34 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2fur h GLU 22 Cb 0.26 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2fur h GLU 22 CO -0.21 0.90 0.05 -0.44 -1.40 0.00 0.00 179.01 177.91 2fur h ASP 23 N 1.23 0.08 -0.38 1.42 3.32 -1.88 -1.79 116.42 118.42 2fur h ASP 23 Ca 0.31 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.36 2fur h ASP 23 Cb 0.03 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2fur h ASP 23 CO -0.05 0.07 0.24 0.25 -1.72 0.00 0.00 179.24 178.03 2fur h LEU 24 N 0.09 0.40 -0.86 1.55 5.85 -0.88 -2.88 115.31 118.58 2fur h LEU 24 Ca 0.03 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2fur h LEU 24 Cb -0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2fur h LEU 24 CO -0.01 0.29 0.52 0.58 -0.34 0.00 0.00 178.44 179.49 2fur h VAL 25 N 0.49 1.24 0.00 1.05 2.07 -1.13 0.17 116.25 120.13 2fur h VAL 25 Ca 0.15 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2fur h VAL 25 Cb -0.03 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2fur h VAL 25 CO -0.05 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2fur n ALA 26 N -2.36 1.11 0.00 1.67 0.00 -0.68 -0.31 120.51 119.94 2fur n ALA 26 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2fur n ALA 26 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2fur n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fur n LEU 28 N 0.34 0.00 -0.05 0.00 4.77 0.59 -2.87 117.00 119.78 2fur n LEU 28 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 2fur n LEU 28 Cb 0.01 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.72 2fur n LEU 28 CO 0.00 0.00 1.19 0.44 -1.33 0.00 0.00 177.39 177.69 2fur h ASP 29 N 0.00 0.13 -0.13 -1.43 3.32 -0.91 -2.71 116.42 114.70 2fur h ASP 29 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2fur h ASP 29 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2fur h ASP 29 CO 0.00 0.07 0.00 -2.11 -1.72 0.00 0.00 179.24 175.48 2fur n ARG 30 N -4.41 1.98 -4.99 3.56 1.85 -1.14 -4.90 116.66 108.60 2fur n ARG 30 Ca 0.11 -1.85 -0.32 0.00 -1.00 0.00 0.00 57.85 54.79 2fur n ARG 30 Cb 0.56 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.43 2fur n ARG 30 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2fur s ASN 31 N -1.57 3.79 0.00 2.89 0.01 -1.02 -4.25 114.94 114.80 2fur s ASN 31 Ca 0.27 -0.26 0.04 0.00 -0.71 0.00 0.00 52.86 52.20 2fur s ASN 31 Cb 0.18 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 41.17 2fur s ASN 31 CO 0.26 0.34 0.80 2.22 -1.51 0.00 0.00 177.10 179.21 2fur n PHE 32 N 2.35 0.06 -4.22 2.20 1.16 -1.26 -4.81 117.46 112.93 2fur n PHE 32 Ca -0.17 -0.18 -0.13 0.00 -1.87 0.00 0.00 57.45 55.11 2fur n PHE 32 Cb 0.52 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.27 2fur n PHE 32 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2fur s THR 33 N -0.58 0.80 0.30 1.97 -4.23 -1.26 -0.46 115.64 112.17 2fur s THR 33 Ca 0.06 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 2fur s THR 33 Cb 0.04 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 71.96 2fur s THR 33 CO 0.06 -0.65 0.61 0.00 -0.54 0.00 0.00 174.62 174.10 2fur s THR 35 N -3.45 3.45 -0.18 0.00 2.01 -0.41 -4.40 115.64 112.66 2fur s THR 35 Ca 0.19 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.63 2fur s THR 35 Cb -0.03 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.05 2fur s THR 35 CO 0.11 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.78 2fur s VAL 36 N -0.31 2.76 -0.07 3.82 1.01 0.07 -1.08 120.40 126.61 2fur s VAL 36 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2fur s VAL 36 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2fur s VAL 36 CO 0.02 0.50 -0.11 -0.44 0.00 0.00 0.00 175.10 175.07 2fur s SER 37 N 1.06 4.29 0.21 3.32 0.01 0.79 -1.48 113.70 121.89 2fur s SER 37 Ca -0.00 -0.14 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 2fur s SER 37 Cb -0.15 -1.06 0.01 0.00 0.21 0.00 0.00 66.02 65.04 2fur s SER 37 CO -0.03 0.33 0.50 0.72 0.41 0.00 0.00 173.24 175.17 2fur s PHE 38 N -0.64 0.05 -0.15 2.43 -0.12 -0.04 -1.63 117.98 117.88 2fur s PHE 38 Ca 0.09 -0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 56.52 2fur s PHE 38 Cb -0.11 0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2fur s PHE 38 CO 0.01 -0.93 -0.00 0.42 -0.05 0.00 0.00 175.22 174.67 2fur s ILE 39 N -3.92 4.24 -0.17 -4.49 1.01 -1.26 0.30 121.20 116.90 2fur s ILE 39 Ca 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2fur s ILE 39 Cb -0.01 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.67 2fur s ILE 39 CO 0.01 0.51 0.10 -0.62 0.00 0.00 0.00 174.94 174.94 2fur s ASP 40 N 0.10 2.23 -1.31 3.58 2.15 0.03 -4.79 116.67 118.65 2fur s ASP 40 Ca 0.01 -0.56 -0.03 0.00 0.43 0.00 0.00 52.55 52.41 2fur s ASP 40 Cb -0.13 -0.18 -0.00 0.00 -0.30 0.00 0.00 42.92 42.30 2fur s ASP 40 CO 0.02 -0.35 0.62 0.61 -0.17 0.00 0.00 175.17 175.90 2fur n GLY 41 N 5.28 -0.37 2.72 2.66 0.00 -1.26 -2.49 105.19 111.73 2fur n GLY 41 Ca -0.07 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 2fur n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fur n GLY 42 N -1.72 1.42 3.26 -0.02 0.00 -1.26 -4.97 105.19 101.90 2fur n GLY 42 Ca -0.28 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2fur n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fur s ILE 43 N -2.27 2.41 0.23 -0.61 1.01 -1.04 -5.11 121.20 115.83 2fur s ILE 43 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 2fur s ILE 43 Cb 0.00 -1.97 -0.09 0.00 0.01 0.00 0.00 42.46 40.41 2fur s ILE 43 CO 0.00 0.54 1.13 -2.16 0.00 0.00 0.00 174.94 174.46 2fur s PRO 44 N 0.50 4.58 0.21 2.79 0.04 -1.26 -0.79 135.00 141.07 2fur s PRO 44 Ca -0.13 1.82 0.10 0.00 0.04 0.00 0.00 61.00 62.83 2fur s PRO 44 Cb -0.17 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 2fur s PRO 44 CO 0.05 0.08 -0.18 0.71 0.04 0.00 0.00 177.00 177.69 2fur s TYR 45 N -0.61 1.97 -0.08 0.56 1.51 0.15 -4.95 117.35 115.90 2fur s TYR 45 Ca 0.48 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2fur s TYR 45 Cb -0.32 -0.93 0.05 0.00 -0.11 0.00 0.00 41.96 40.65 2fur s TYR 45 CO 0.39 0.46 0.17 0.00 -1.11 0.00 0.00 175.55 175.46 2fur s ALA 46 N -2.36 -0.25 0.04 3.71 0.00 -1.26 -0.86 121.76 120.78 2fur s ALA 46 Ca 0.22 0.65 0.04 0.00 0.00 0.00 0.00 51.96 52.87 2fur s ALA 46 Cb -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2fur s ALA 46 CO 0.09 -0.44 -0.12 0.96 0.00 0.00 0.00 175.76 176.25 2fur s ILE 47 N 1.93 0.95 0.66 0.00 -4.36 -0.55 -4.94 121.20 114.89 2fur s ILE 47 Ca -0.01 -1.02 -0.11 0.00 -0.26 0.00 0.00 60.65 59.25 2fur s ILE 47 Cb -0.12 -0.90 -0.02 0.00 1.25 0.00 0.00 42.46 42.68 2fur s ILE 47 CO -0.06 -0.11 1.05 -2.16 0.24 0.00 0.00 174.94 173.90 2fur s PRO 48 N -1.27 3.26 -0.33 0.37 0.04 -1.26 -0.75 135.00 135.07 2fur s PRO 48 Ca -0.01 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 2fur s PRO 48 Cb -0.08 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.61 2fur s PRO 48 CO 0.01 -0.84 0.82 -1.17 0.04 0.00 0.00 177.00 175.86 2fur s LEU 51 N -5.36 -1.00 0.24 -3.56 2.96 0.39 -4.90 118.68 107.43 2fur s LEU 51 Ca 0.57 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.22 2fur s LEU 51 Cb -0.13 1.48 -0.08 0.00 0.50 0.00 0.00 46.19 47.96 2fur s LEU 51 CO 0.54 -0.15 0.59 0.00 -1.32 0.00 0.00 176.35 176.01 2fur s ALA 52 N 2.47 3.51 0.07 5.97 0.00 -1.05 -4.55 121.76 128.19 2fur s ALA 52 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.70 2fur s ALA 52 Cb -0.04 -2.53 0.07 0.00 0.00 0.00 0.00 23.12 20.63 2fur s ALA 52 CO -0.19 0.46 0.64 -1.54 0.00 0.00 0.00 175.76 175.14 2fur s SER 53 N -2.24 -0.60 -0.18 0.00 1.04 -1.26 -0.56 113.70 109.91 2fur s SER 53 Ca 0.47 0.28 -0.04 0.00 0.48 0.00 0.00 55.95 57.15 2fur s SER 53 Cb -0.12 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.66 2fur s SER 53 CO 0.20 -0.82 0.27 -0.70 0.98 0.00 0.00 173.24 173.18 2fur s GLU 54 N -2.72 0.21 6.98 4.02 2.12 0.47 -4.88 118.70 124.90 2fur s GLU 54 Ca -0.04 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2fur s GLU 54 Cb -0.01 -0.54 0.00 0.00 0.26 0.00 0.00 34.13 33.84 2fur s GLU 54 CO -0.04 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 2fur n GLY 55 N 5.34 2.92 0.00 -1.50 0.00 -1.26 -1.63 105.19 109.07 2fur n GLY 55 Ca -0.05 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.82 2fur n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fur n LYS 56 N 13.69 0.02 -2.88 1.61 5.02 -1.26 -4.72 118.16 129.63 2fur n LYS 56 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 2fur n LYS 56 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 2fur n LYS 56 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2fur s THR 57 N -2.98 4.96 -0.11 -0.18 2.01 -0.64 -4.39 115.64 114.31 2fur s THR 57 Ca 0.15 1.74 -0.05 0.00 0.31 0.00 0.00 61.69 63.84 2fur s THR 57 Cb 0.19 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2fur s THR 57 CO 0.52 0.20 0.07 -0.63 -0.69 0.00 0.00 174.62 174.09 2fur s ILE 58 N 0.94 4.86 -0.14 1.82 1.01 -0.67 -0.40 121.20 128.63 2fur s ILE 58 Ca 0.44 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.08 2fur s ILE 58 Cb -0.19 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.20 2fur s ILE 58 CO 0.23 0.60 -0.20 -0.31 0.00 0.00 0.00 174.94 175.25 2fur s TYR 59 N -0.80 2.48 -0.03 3.97 2.02 0.28 -0.52 117.35 124.74 2fur s TYR 59 Ca 0.13 -1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 55.55 2fur s TYR 59 Cb -0.12 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 2fur s TYR 59 CO 0.03 -0.60 0.11 -0.51 -1.57 0.00 0.00 175.55 173.01 2fur s LEU 60 N 0.93 4.06 0.12 -1.29 1.43 -0.43 -2.53 118.68 120.97 2fur s LEU 60 Ca -0.05 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 2fur s LEU 60 Cb -0.15 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 2fur s LEU 60 CO -0.03 0.30 0.18 -1.38 0.23 0.00 0.00 176.35 175.65 2fur s HIS 61 N -1.17 0.38 -3.03 0.29 -3.43 -1.26 -0.91 115.29 106.16 2fur s HIS 61 Ca 0.22 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.69 2fur s HIS 61 Cb -0.12 -0.15 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 2fur s HIS 61 CO 0.12 -0.59 0.00 0.41 -2.00 0.00 0.00 174.74 172.68 2fur n GLY 62 N -0.11 -1.00 0.00 -1.38 0.00 -0.98 -4.99 105.19 96.73 2fur n GLY 62 Ca -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2fur n GLY 62 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fur n SER 63 N 1.08 0.00 0.00 1.61 2.88 -1.26 -1.22 113.62 116.71 2fur n SER 63 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fur n SER 63 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2fur n SER 63 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2fur n LYS 65 N 0.00 0.00 -2.76 -1.46 4.01 -1.26 -4.66 118.16 112.03 2fur n LYS 65 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 2fur n LYS 65 Cb 0.00 -0.03 -0.06 0.00 -0.51 0.00 0.00 35.03 34.43 2fur n LYS 65 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2fur s SER 66 N 0.00 6.82 0.45 4.39 1.04 -1.26 -4.97 113.70 120.17 2fur s SER 66 Ca 0.00 1.74 0.15 0.00 0.48 0.00 0.00 55.95 58.32 2fur s SER 66 Cb 0.00 -2.54 1.01 0.00 0.10 0.00 0.00 66.02 64.58 2fur s SER 66 CO 0.00 -0.44 1.98 0.08 0.98 0.00 0.00 173.24 175.84 2fur h ARG 67 N 1.84 0.00 -0.17 4.02 -0.00 -2.03 -2.34 114.38 115.70 2fur h ARG 67 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.48 2fur h ARG 67 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.15 2fur h ARG 67 CO 0.61 0.19 0.06 0.97 -0.00 0.00 0.00 179.97 181.80 2fur h ILE 68 N 0.00 1.08 0.05 0.08 6.09 -1.93 -2.93 117.51 119.96 2fur h ILE 68 Ca -0.00 -0.25 0.02 0.00 -1.37 0.00 0.00 64.86 63.26 2fur h ILE 68 Cb 0.35 0.88 -0.03 0.00 0.47 0.00 0.00 36.82 38.49 2fur h ILE 68 CO 0.03 0.09 -0.17 0.22 -3.07 0.00 0.00 178.15 175.25 2fur h TYR 69 N 0.24 -0.45 -0.78 2.19 3.20 -1.68 -0.72 116.97 118.97 2fur h TYR 69 Ca 0.06 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2fur h TYR 69 Cb 0.07 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 2fur h TYR 69 CO 0.00 -0.25 0.51 0.78 -1.64 0.00 0.00 178.16 177.56 2fur h GLY 70 N -0.31 1.09 0.77 1.82 0.00 -1.66 0.03 103.07 104.81 2fur h GLY 70 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2fur h GLY 70 CO -0.13 0.30 0.01 -2.22 0.00 0.00 0.00 176.54 174.50 2fur h ILE 71 N 0.92 1.22 -0.36 2.60 1.08 -1.31 -3.05 117.51 118.60 2fur h ILE 71 Ca 0.32 -0.67 -0.05 0.00 -0.39 0.00 0.00 64.86 64.07 2fur h ILE 71 Cb 0.12 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 2fur h ILE 71 CO -0.10 0.19 -0.00 -0.07 -0.69 0.00 0.00 178.15 177.47 2fur h LEU 72 N -0.12 0.52 -2.07 1.44 3.38 -0.48 -2.52 115.31 115.46 2fur h LEU 72 Ca 0.02 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2fur h LEU 72 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2fur h LEU 72 CO 0.00 0.59 0.11 0.11 0.09 0.00 0.00 178.44 179.35 2fur h LYS 73 N 0.53 0.00 0.00 1.13 1.57 -0.92 -2.11 116.57 116.77 2fur h LYS 73 Ca 0.11 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2fur h LYS 73 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2fur h LYS 73 CO 0.01 0.00 -0.18 1.79 -0.57 0.00 0.00 179.45 180.50 2fur h THR 74 N 0.00 1.09 -0.07 -0.16 1.35 -1.35 -3.46 112.91 110.30 2fur h THR 74 Ca 0.07 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.28 2fur h THR 74 Cb 0.29 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2fur h THR 74 CO -0.00 0.18 -0.03 0.61 -0.25 0.00 0.00 175.52 176.03 2fur n GLY 75 N -0.99 0.52 3.72 5.82 0.00 -0.79 -5.02 105.19 108.44 2fur n GLY 75 Ca -0.02 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 2fur n GLY 75 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fur s GLN 76 N -1.25 2.04 0.16 1.61 -2.07 -1.26 -4.34 119.66 114.54 2fur s GLN 76 Ca 0.00 1.79 -0.31 0.00 -1.82 0.00 0.00 55.36 55.01 2fur s GLN 76 Cb 0.00 -1.82 -0.11 0.00 -1.09 0.00 0.00 33.01 30.00 2fur s GLN 76 CO 0.00 -1.92 1.69 -1.17 -1.32 0.00 0.00 175.29 172.57 2fur s LEU 77 N -5.23 4.38 0.22 2.60 2.96 -1.26 -4.30 118.68 118.04 2fur s LEU 77 Ca 0.75 2.72 0.11 0.00 -0.22 0.00 0.00 54.13 57.49 2fur s LEU 77 Cb -0.30 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 2fur s LEU 77 CO 0.46 -0.92 -0.18 0.27 -1.32 0.00 0.00 176.35 174.66 2fur s ILE 78 N 1.66 2.64 -0.24 6.68 -4.36 -0.45 -4.79 121.20 122.34 2fur s ILE 78 Ca 0.74 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 59.05 2fur s ILE 78 Cb -0.46 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2fur s ILE 78 CO 0.33 -0.21 -0.03 0.00 0.24 0.00 0.00 174.94 175.27 2fur s ALA 79 N -1.94 2.81 -0.21 2.27 0.00 -0.65 -1.92 121.76 122.11 2fur s ALA 79 Ca 0.25 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2fur s ALA 79 Cb -0.07 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2fur s ALA 79 CO 0.13 -0.61 0.05 0.42 0.00 0.00 0.00 175.76 175.74 2fur s ILE 80 N 1.43 4.36 -0.01 0.00 1.01 0.15 -0.15 121.20 128.00 2fur s ILE 80 Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.58 2fur s ILE 80 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 2fur s ILE 80 CO -0.03 0.40 -0.20 -0.94 0.00 0.00 0.00 174.94 174.17 2fur s SER 81 N 1.04 3.57 0.08 3.58 1.04 -0.24 0.26 113.70 123.03 2fur s SER 81 Ca 0.03 -0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.16 2fur s SER 81 Cb -0.14 -0.57 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 2fur s SER 81 CO 0.03 0.30 -0.22 -0.76 0.98 0.00 0.00 173.24 173.58 2fur s LEU 82 N -0.93 2.24 -0.12 2.42 1.43 -0.53 -1.29 118.68 121.89 2fur s LEU 82 Ca 0.12 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2fur s LEU 82 Cb -0.10 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.20 2fur s LEU 82 CO 0.01 0.12 0.27 -0.22 0.23 0.00 0.00 176.35 176.76 2fur s LEU 83 N -1.58 0.12 -0.16 1.79 2.96 -1.26 -1.51 118.68 119.05 2fur s LEU 83 Ca 0.08 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.58 2fur s LEU 83 Cb -0.09 0.78 0.02 0.00 0.50 0.00 0.00 46.19 47.39 2fur s LEU 83 CO 0.03 -0.19 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.06 2fur s GLU 84 N 1.68 2.84 -0.23 1.98 2.02 0.65 -4.98 118.70 122.66 2fur s GLU 84 Ca -0.06 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.08 2fur s GLU 84 Cb -0.11 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 2fur s GLU 84 CO -0.09 -0.14 0.07 0.42 0.02 0.00 0.00 175.26 175.53 2fur s ILE 85 N 1.15 4.45 -0.00 -1.63 -1.09 -1.26 -0.97 121.20 121.85 2fur s ILE 85 Ca 0.01 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2fur s ILE 85 Cb -0.14 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2fur s ILE 85 CO -0.09 0.38 0.00 0.59 -1.23 0.00 0.00 174.94 174.59 2fur n ASN 86 N 4.46 4.83 -3.61 3.58 3.02 0.43 -4.80 115.26 123.17 2fur n ASN 86 Ca -0.16 -0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.35 2fur n ASN 86 Cb 0.52 1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 40.68 2fur n ASN 86 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2fur s GLY 87 N -1.99 -0.30 -0.25 7.41 0.00 -1.05 -0.79 107.32 110.35 2fur s GLY 87 Ca -0.00 1.51 -0.12 0.00 0.00 0.00 0.00 44.72 46.11 2fur s GLY 87 CO 0.00 0.48 0.23 -0.42 0.00 0.00 0.00 173.10 173.40 2fur s ILE 88 N -2.33 5.30 -0.37 0.90 1.01 -0.14 -1.05 121.20 124.51 2fur s ILE 88 Ca 0.11 0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.89 2fur s ILE 88 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2fur s ILE 88 CO -0.04 0.27 0.43 -0.69 0.00 0.00 0.00 174.94 174.91 2fur s VAL 89 N 1.49 5.10 -0.43 2.92 1.01 0.54 -0.80 120.40 130.24 2fur s VAL 89 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2fur s VAL 89 Cb -0.15 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.37 2fur s VAL 89 CO 0.08 -0.25 0.28 -0.76 0.00 0.00 0.00 175.10 174.45 2fur s LEU 90 N 2.17 5.23 0.43 3.92 1.43 -0.48 -1.61 118.68 129.77 2fur s LEU 90 Ca 0.14 -1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 51.74 2fur s LEU 90 Cb -0.16 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2fur s LEU 90 CO 0.13 -0.56 0.66 0.00 0.23 0.00 0.00 176.35 176.82 2fur s ALA 91 N 1.45 3.66 0.32 4.21 0.00 -1.26 -1.54 121.76 128.60 2fur s ALA 91 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2fur s ALA 91 Cb -0.23 -2.22 0.54 0.00 0.00 0.00 0.00 23.12 21.21 2fur s ALA 91 CO 0.03 -0.29 1.98 0.87 0.00 0.00 0.00 175.76 178.35 2fur h LYS 92 N 0.45 0.97 -5.22 0.00 1.57 -1.87 -3.39 116.57 109.07 2fur h LYS 92 Ca -0.47 -0.06 -0.61 0.00 -1.87 0.00 0.00 60.65 57.64 2fur h LYS 92 Cb 1.24 -0.22 -0.13 0.00 0.08 0.00 0.00 32.23 33.20 2fur h LYS 92 CO 0.59 0.64 -0.42 -1.21 -0.57 0.00 0.00 179.45 178.48 2fur s GLU 93 N -5.84 4.12 0.33 3.15 2.02 -1.26 -4.99 118.70 116.24 2fur s GLU 93 Ca -0.11 -0.13 0.12 0.00 0.02 0.00 0.00 54.97 54.88 2fur s GLU 93 Cb 0.18 -3.51 0.98 0.00 0.10 0.00 0.00 34.13 31.88 2fur s GLU 93 CO 0.78 0.08 1.71 0.82 0.02 0.00 0.00 175.26 178.67 2fur h ILE 94 N 4.95 0.45 0.00 -1.63 1.08 -1.99 0.97 117.51 121.34 2fur h ILE 94 Ca -0.38 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 2fur h ILE 94 Cb 1.16 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2fur h ILE 94 CO 0.69 0.09 0.00 2.29 -0.69 0.00 0.00 178.15 180.53 2fur n LYS 95 N -4.92 0.14 -0.07 2.37 2.85 -1.26 -1.62 118.16 115.65 2fur n LYS 95 Ca 0.29 0.45 0.12 0.00 -1.05 0.00 0.00 58.31 58.11 2fur n LYS 95 Cb 0.85 -1.81 0.14 0.00 -0.65 0.00 0.00 35.03 33.56 2fur n LYS 95 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2fur n ASN 96 N -2.08 3.14 -4.77 -5.58 3.02 0.33 -4.97 115.26 104.35 2fur n ASN 96 Ca 0.01 -1.97 -0.39 0.00 -0.03 0.00 0.00 54.58 52.20 2fur n ASN 96 Cb 0.17 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.23 2fur n ASN 96 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2fur s ASN 97 N -1.75 6.43 0.00 6.41 0.01 -0.64 -4.46 114.94 120.94 2fur s ASN 97 Ca 0.31 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 55.03 2fur s ASN 97 Cb 0.21 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2fur s ASN 97 CO 0.30 -0.76 0.00 -1.54 -1.51 0.00 0.00 177.10 173.59 2fur n SER 98 N 0.20 0.00 -4.14 -1.22 3.41 -0.63 -4.99 113.62 106.24 2fur n SER 98 Ca 0.03 -0.28 -0.23 0.00 -0.26 0.00 0.00 58.87 58.13 2fur n SER 98 Cb 0.44 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 2fur n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2fur s ILE 99 N -2.54 1.24 -0.13 -1.33 -1.09 -1.26 -0.34 121.20 115.75 2fur s ILE 99 Ca 0.00 -0.75 -0.17 0.00 -2.23 0.00 0.00 60.65 57.50 2fur s ILE 99 Cb 0.00 -1.05 -0.04 0.00 -1.58 0.00 0.00 42.46 39.79 2fur s ILE 99 CO 0.00 0.28 0.43 0.20 -1.23 0.00 0.00 174.94 174.62 2fur s ASN 100 N -0.54 6.62 0.26 3.58 0.01 -0.21 -4.72 114.94 119.93 2fur s ASN 100 Ca 0.05 0.74 -0.19 0.00 -0.71 0.00 0.00 52.86 52.75 2fur s ASN 100 Cb -0.06 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.36 2fur s ASN 100 CO -0.00 0.03 0.65 -0.72 -1.51 0.00 0.00 177.10 175.55 2fur s TYR 101 N 0.54 -0.11 0.00 2.20 1.13 -0.64 -0.43 117.35 120.05 2fur s TYR 101 Ca 0.23 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.61 2fur s TYR 101 Cb -0.15 0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 41.28 2fur s TYR 101 CO 0.09 -1.13 -0.08 0.08 -2.51 0.00 0.00 175.55 172.00 2fur s VAL 102 N -3.92 0.61 0.03 -3.49 1.01 -0.15 -1.48 120.40 113.01 2fur s VAL 102 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2fur s VAL 102 Cb -0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2fur s VAL 102 CO 0.05 0.12 0.00 -0.94 0.00 0.00 0.00 175.10 174.33 2fur s SER 103 N -0.33 0.26 0.02 3.32 1.04 0.82 -0.25 113.70 118.57 2fur s SER 103 Ca 0.02 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2fur s SER 103 Cb -0.04 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2fur s SER 103 CO -0.00 -0.39 -0.04 0.00 0.98 0.00 0.00 173.24 173.79 2fur s ALA 104 N -2.03 0.27 -0.13 5.32 0.00 -0.57 -1.74 121.76 122.88 2fur s ALA 104 Ca -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 2fur s ALA 104 Cb -0.05 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2fur s ALA 104 CO -0.03 -0.04 -0.05 -1.17 0.00 0.00 0.00 175.76 174.48 2fur s LEU 105 N -0.94 1.22 -0.15 0.00 2.96 0.12 -1.45 118.68 120.44 2fur s LEU 105 Ca -0.08 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2fur s LEU 105 Cb -0.06 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.85 2fur s LEU 105 CO -0.00 -0.17 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.05 2fur s ILE 106 N 1.74 2.43 -0.17 6.68 1.01 0.14 -1.54 121.20 131.50 2fur s ILE 106 Ca 0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2fur s ILE 106 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2fur s ILE 106 CO -0.07 0.53 0.00 -0.36 0.00 0.00 0.00 174.94 175.04 2fur s PHE 107 N 0.80 3.12 0.16 3.97 0.08 -0.04 0.33 117.98 126.40 2fur s PHE 107 Ca -0.06 -0.14 -0.22 0.00 0.12 0.00 0.00 56.93 56.62 2fur s PHE 107 Cb -0.15 -2.01 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 2fur s PHE 107 CO -0.00 0.05 0.58 0.20 -0.10 0.00 0.00 175.22 175.94 2fur s GLY 108 N 0.36 -0.56 -0.30 4.36 0.00 -0.81 0.67 107.32 111.03 2fur s GLY 108 Ca -0.01 0.40 -0.06 0.00 0.00 0.00 0.00 44.72 45.05 2fur s GLY 108 CO 0.02 0.10 0.07 0.50 0.00 0.00 0.00 173.10 173.78 2fur s ARG 109 N -3.76 2.85 0.52 2.90 0.52 -1.26 -1.34 118.95 119.38 2fur s ARG 109 Ca 0.02 -1.01 -0.21 0.00 -0.52 0.00 0.00 55.73 54.00 2fur s ARG 109 Cb -0.01 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 32.06 2fur s ARG 109 CO -0.12 -0.53 1.20 -2.14 0.02 0.00 0.00 175.30 173.73 2fur s PRO 110 N 1.43 3.42 0.03 3.54 0.02 -1.26 -4.61 135.00 137.57 2fur s PRO 110 Ca 0.00 1.83 0.04 0.00 0.02 0.00 0.00 61.00 62.90 2fur s PRO 110 Cb -0.18 -2.21 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 2fur s PRO 110 CO 0.01 -0.84 -0.13 1.52 -0.33 0.00 0.00 177.00 177.23 2fur s TYR 111 N -1.55 1.10 0.03 6.54 -0.85 -0.60 -4.47 117.35 117.55 2fur s TYR 111 Ca 0.69 -0.32 -0.29 0.00 -0.52 0.00 0.00 57.07 56.64 2fur s TYR 111 Cb -0.30 -0.67 -0.04 0.00 0.38 0.00 0.00 41.96 41.33 2fur s TYR 111 CO 0.35 0.01 0.92 -2.00 -1.52 0.00 0.00 175.55 173.32 2fur s GLU 112 N -0.95 4.58 -0.22 -3.49 2.12 -1.26 -0.92 118.70 118.56 2fur s GLU 112 Ca 0.01 1.34 -0.25 0.00 0.36 0.00 0.00 54.97 56.43 2fur s GLU 112 Cb -0.07 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 2fur s GLU 112 CO 0.01 0.07 0.82 0.42 -0.54 0.00 0.00 175.26 176.04 2fur s ILE 113 N 0.60 4.86 -0.13 -3.70 -1.09 -0.35 -4.92 121.20 116.46 2fur s ILE 113 Ca 0.48 1.57 0.20 0.00 -2.23 0.00 0.00 60.65 60.66 2fur s ILE 113 Cb -0.21 -4.11 -0.28 0.00 -1.58 0.00 0.00 42.46 36.27 2fur s ILE 113 CO 0.27 -0.03 0.24 0.47 -1.23 0.00 0.00 174.94 174.65 2fur n ASP 114 N 5.72 0.01 -4.80 3.58 8.00 -1.26 -4.58 116.55 123.21 2fur n ASP 114 Ca 0.05 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 2fur n ASP 114 Cb 0.48 1.38 -0.06 0.00 -0.02 0.00 0.00 41.12 42.90 2fur n ASP 114 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2fur s ASP 115 N -5.11 7.19 0.29 -2.24 -4.77 -1.26 -4.96 116.67 105.80 2fur s ASP 115 Ca -0.09 1.45 0.09 0.00 -3.30 0.00 0.00 52.55 50.70 2fur s ASP 115 Cb 0.09 -2.43 0.41 0.00 -1.09 0.00 0.00 42.92 39.90 2fur s ASP 115 CO 0.86 0.19 1.65 0.71 0.70 0.00 0.00 175.17 179.28 2fur h THR 116 N 3.25 1.39 -0.63 2.11 1.35 -1.99 -2.51 112.91 115.87 2fur h THR 116 Ca -0.48 -1.88 -0.08 0.00 -0.55 0.00 0.00 66.41 63.41 2fur h THR 116 Cb 1.21 1.99 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 2fur h THR 116 CO 0.65 0.54 0.08 -0.08 -0.25 0.00 0.00 175.52 176.46 2fur h GLU 117 N 0.05 1.06 -0.39 4.72 4.57 -1.99 0.14 114.58 122.75 2fur h GLU 117 Ca -0.00 -0.30 -0.12 0.00 -1.18 0.00 0.00 59.36 57.75 2fur h GLU 117 Cb 0.99 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 2fur h GLU 117 CO 0.08 1.00 -0.26 -0.22 -1.18 0.00 0.00 179.01 178.43 2fur h LYS 118 N 0.97 0.80 -0.66 1.92 1.63 -1.93 -1.85 116.57 117.45 2fur h LYS 118 Ca 0.19 -0.34 0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2fur h LYS 118 Cb 0.47 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 2fur h LYS 118 CO 0.02 0.97 0.41 0.87 -3.45 0.00 0.00 179.45 178.27 2fur h LYS 119 N 0.69 0.79 -0.19 1.90 1.57 -1.12 -1.46 116.57 118.74 2fur h LYS 119 Ca 0.09 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2fur h LYS 119 Cb 0.79 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2fur h LYS 119 CO 0.06 0.52 0.02 0.82 -0.57 0.00 0.00 179.45 180.30 2fur h ILE 120 N 0.81 0.89 -0.96 1.86 2.04 -0.79 -1.91 117.51 119.45 2fur h ILE 120 Ca 0.27 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.20 2fur h ILE 120 Cb 0.01 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 2fur h ILE 120 CO -0.10 0.02 0.61 -0.08 0.00 0.00 0.00 178.15 178.60 2fur h GLU 121 N 0.08 0.94 -0.41 2.37 4.81 -0.91 -1.49 114.58 119.97 2fur h GLU 121 Ca 0.09 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2fur h GLU 121 Cb 0.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2fur h GLU 121 CO -0.14 0.62 -0.06 0.28 -0.73 0.00 0.00 179.01 178.98 2fur h VAL 122 N 0.97 1.27 -0.29 0.32 2.07 -0.82 -0.44 116.25 119.33 2fur h VAL 122 Ca 0.46 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2fur h VAL 122 Cb 0.43 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2fur h VAL 122 CO -0.22 0.38 -0.01 -0.26 0.02 0.00 0.00 177.57 177.49 2fur h PHE 123 N 0.59 0.46 -0.26 1.57 0.04 -0.82 -0.62 116.94 117.91 2fur h PHE 123 Ca 0.11 -0.04 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 2fur h PHE 123 Cb 0.58 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 2fur h PHE 123 CO 0.05 0.47 -0.22 -0.09 -0.60 0.00 0.00 178.31 177.91 2fur h ARG 124 N 0.43 0.60 -0.35 1.51 2.43 -0.99 -0.92 114.38 117.09 2fur h ARG 124 Ca 0.10 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2fur h ARG 124 Cb 0.30 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2fur h ARG 124 CO 0.01 0.90 0.21 -0.07 -1.51 0.00 0.00 179.97 179.51 2fur h LEU 125 N 0.32 0.36 -0.45 3.80 3.38 -0.71 -1.09 115.31 120.92 2fur h LEU 125 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2fur h LEU 125 Cb 0.77 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2fur h LEU 125 CO 0.06 0.26 0.26 0.25 0.09 0.00 0.00 178.44 179.36 2fur h LEU 126 N 0.44 0.55 -0.44 1.67 5.85 -1.05 -1.89 115.31 120.44 2fur h LEU 126 Ca 0.13 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2fur h LEU 126 Cb -0.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2fur h LEU 126 CO -0.05 0.47 0.18 0.74 -0.34 0.00 0.00 178.44 179.43 2fur h THR 127 N 0.60 1.20 0.00 1.05 2.02 -0.99 -1.34 112.91 115.46 2fur h THR 127 Ca 0.16 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 2fur h THR 127 Cb 0.02 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2fur h THR 127 CO -0.03 0.23 -0.25 -0.33 0.37 0.00 0.00 175.52 175.51 2fur h GLU 128 N 0.58 0.00 -0.14 6.66 4.39 -1.08 -0.54 114.58 124.44 2fur h GLU 128 Ca 0.15 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.67 2fur h GLU 128 Cb 0.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2fur h GLU 128 CO -0.01 0.25 -0.62 -0.22 -1.16 0.00 0.00 179.01 177.25 2fur h LYS 129 N 0.00 0.66 0.80 2.33 3.64 -0.80 -3.04 116.57 120.16 2fur h LYS 129 Ca -0.00 -0.53 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 2fur h LYS 129 Cb 0.64 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2fur h LYS 129 CO 0.03 1.15 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.91 2fur h LEU 130 N 0.34 -0.91 -6.99 5.20 3.38 -0.94 -3.43 115.31 111.96 2fur h LEU 130 Ca -0.04 0.03 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 2fur h LEU 130 Cb 1.25 0.23 -0.40 0.00 0.09 0.00 0.00 40.66 41.83 2fur h LEU 130 CO 0.13 -0.54 -0.76 -0.69 0.09 0.00 0.00 178.44 176.66 2fur s VAL 131 N -5.06 0.08 0.19 1.22 1.01 -0.24 -5.11 120.40 112.49 2fur s VAL 131 Ca -0.16 -0.55 -0.32 0.00 0.00 0.00 0.00 61.98 60.95 2fur s VAL 131 Cb 0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 36.38 35.40 2fur s VAL 131 CO 0.48 -0.48 1.68 -0.75 0.00 0.00 0.00 175.10 176.03 2fur s LYS 132 N 2.04 4.15 0.00 2.72 2.20 -1.15 -2.23 119.74 127.48 2fur s LYS 132 Ca 0.05 2.54 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2fur s LYS 132 Cb -0.16 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2fur s LYS 132 CO -0.21 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.47 2fur n GLY 133 N 3.93 1.46 0.20 5.54 0.00 -1.26 -4.83 105.19 110.22 2fur n GLY 133 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 2fur n GLY 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2fur h ARG 134 N 3.56 0.72 -0.48 1.61 9.65 -1.76 -3.33 114.38 124.35 2fur h ARG 134 Ca 0.00 -0.73 0.10 0.00 -1.10 0.00 0.00 59.98 58.25 2fur h ARG 134 Cb 0.00 0.20 -0.10 0.00 -1.39 0.00 0.00 29.97 28.68 2fur h ARG 134 CO 0.00 1.31 -0.17 2.35 2.80 0.00 0.00 179.97 186.26 2fur h TRP 135 N 0.43 -0.40 -0.94 2.20 2.91 -1.87 -1.51 115.95 116.77 2fur h TRP 135 Ca -0.11 0.05 0.10 0.00 1.13 0.00 0.00 58.89 60.06 2fur h TRP 135 Cb 1.64 0.25 -0.07 0.00 -0.51 0.00 0.00 29.16 30.46 2fur h TRP 135 CO 0.10 -0.26 0.60 -0.44 -1.03 0.00 0.00 178.44 177.42 2fur h ASP 136 N -0.06 0.86 -0.89 2.65 3.32 -1.98 -2.92 116.42 117.40 2fur h ASP 136 Ca 0.23 0.03 -0.48 0.00 0.02 0.00 0.00 57.03 56.83 2fur h ASP 136 Cb 0.41 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 39.54 2fur h ASP 136 CO -0.53 0.49 0.54 -3.20 -1.72 0.00 0.00 179.24 174.82 2fur n ASN 137 N -4.56 3.87 -3.97 6.45 5.15 -0.59 -4.94 115.26 116.69 2fur n ASN 137 Ca 0.17 -3.66 -0.09 0.00 -0.60 0.00 0.00 54.58 50.39 2fur n ASN 137 Cb 0.32 -0.81 -0.11 0.00 -0.53 0.00 0.00 39.78 38.65 2fur n ASN 137 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2fur s SER 138 N -1.58 0.21 -0.06 1.20 0.15 -1.10 -5.04 113.70 107.48 2fur s SER 138 Ca 0.56 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 2fur s SER 138 Cb 0.47 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 2fur s SER 138 CO 0.08 -0.30 1.63 -0.63 1.20 0.00 0.00 173.24 175.23 2fur s ILE 139 N -1.41 3.62 0.48 6.45 1.01 -1.26 -4.97 121.20 125.12 2fur s ILE 139 Ca -0.15 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.05 2fur s ILE 139 Cb -0.09 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 2fur s ILE 139 CO -0.01 -0.07 0.98 -0.54 0.00 0.00 0.00 174.94 175.30 2fur s LYS 140 N 4.03 4.02 0.32 2.79 -0.14 -1.26 -5.01 119.74 124.50 2fur s LYS 140 Ca 0.72 1.10 -0.29 0.00 -1.36 0.00 0.00 55.97 56.14 2fur s LYS 140 Cb -0.32 -2.14 -0.10 0.00 -1.68 0.00 0.00 37.83 33.58 2fur s LYS 140 CO 0.29 -0.22 1.40 -2.14 -0.76 0.00 0.00 175.35 173.92 2fur s PRO 141 N -3.55 4.26 0.90 -1.68 0.02 -1.26 -5.01 135.00 128.68 2fur s PRO 141 Ca 0.62 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.85 2fur s PRO 141 Cb -0.11 -3.05 0.14 0.00 0.02 0.00 0.00 34.50 31.50 2fur s PRO 141 CO 0.22 -0.35 1.18 -1.54 -0.33 0.00 0.00 177.00 176.18 2fur s SER 142 N -0.16 3.63 0.20 2.53 1.04 -1.26 -4.86 113.70 114.81 2fur s SER 142 Ca 0.53 0.77 -0.09 0.00 0.48 0.00 0.00 55.95 57.64 2fur s SER 142 Cb -0.42 -1.21 0.13 0.00 0.10 0.00 0.00 66.02 64.61 2fur s SER 142 CO 0.53 -2.45 1.76 0.22 0.98 0.00 0.00 173.24 174.27 2fur h TYR 143 N -1.44 1.11 -0.37 5.02 3.20 -1.99 -1.79 116.97 120.72 2fur h TYR 143 Ca -0.48 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.32 2fur h TYR 143 Cb 1.31 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2fur h TYR 143 CO -0.08 0.85 0.21 1.49 -1.64 0.00 0.00 178.16 178.99 2fur h GLU 144 N 1.04 0.41 -0.41 1.82 4.57 -2.00 -1.73 114.58 118.28 2fur h GLU 144 Ca 0.24 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2fur h GLU 144 Cb 0.22 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2fur h GLU 144 CO -0.02 0.27 0.24 -0.44 -1.18 0.00 0.00 179.01 177.88 2fur h ASP 145 N 0.42 0.37 0.23 1.04 3.32 -1.87 -2.52 116.42 117.42 2fur h ASP 145 Ca 0.15 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2fur h ASP 145 Cb 0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2fur h ASP 145 CO -0.08 0.27 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.38 2fur h LEU 146 N 0.48 0.05 -1.79 1.55 3.38 -1.02 -2.14 115.31 115.82 2fur h LEU 146 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2fur h LEU 146 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2fur h LEU 146 CO -0.08 0.32 0.00 0.78 0.09 0.00 0.00 178.44 179.54 2fur h ASN 147 N 0.05 0.00 0.01 -0.43 4.21 -0.87 -2.82 115.58 115.74 2fur h ASN 147 Ca 0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2fur h ASN 147 Cb 0.49 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2fur h ASN 147 CO 0.04 0.00 -0.09 0.61 -1.29 0.00 0.00 177.43 176.69 2fur n GLY 148 N -0.32 0.27 3.15 2.83 0.00 -0.81 -4.89 105.19 105.41 2fur n GLY 148 Ca -0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 2fur n GLY 148 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2fur s VAL 149 N -2.12 1.88 0.43 1.61 -7.23 -1.07 -4.63 120.40 109.26 2fur s VAL 149 Ca 0.30 -0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 59.37 2fur s VAL 149 Cb 0.20 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.39 2fur s VAL 149 CO 0.38 0.52 1.01 0.72 -0.31 0.00 0.00 175.10 177.41 2fur s PHE 150 N 0.68 3.24 -0.05 2.82 -0.12 -0.36 -4.91 117.98 119.28 2fur s PHE 150 Ca -0.11 1.63 0.01 0.00 -0.05 0.00 0.00 56.93 58.41 2fur s PHE 150 Cb -0.16 -3.01 0.02 0.00 -0.63 0.00 0.00 43.02 39.24 2fur s PHE 150 CO 0.02 -0.46 -0.06 0.08 -0.05 0.00 0.00 175.22 174.75 2fur s VAL 151 N -1.90 0.70 -0.01 -2.49 1.01 -1.26 -2.33 120.40 114.12 2fur s VAL 151 Ca 0.61 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.46 2fur s VAL 151 Cb -0.16 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2fur s VAL 151 CO 0.21 0.27 -0.22 -0.36 0.00 0.00 0.00 175.10 175.00 2fur s PHE 152 N 0.97 2.46 -0.07 5.22 0.40 -0.09 -1.21 117.98 125.66 2fur s PHE 152 Ca -0.10 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 55.73 2fur s PHE 152 Cb -0.14 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 2fur s PHE 152 CO 0.00 0.09 0.44 0.00 0.70 0.00 0.00 175.22 176.46 2fur s ALA 153 N -0.73 3.57 -0.25 5.36 0.00 -0.10 -1.32 121.76 128.30 2fur s ALA 153 Ca 0.11 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2fur s ALA 153 Cb -0.10 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.54 2fur s ALA 153 CO 0.01 0.19 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 2fur s VAL 154 N -0.05 1.95 -0.06 0.00 1.01 0.32 -1.55 120.40 122.01 2fur s VAL 154 Ca 0.24 -1.50 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 2fur s VAL 154 Cb -0.16 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2fur s VAL 154 CO 0.11 -0.05 0.44 -0.54 0.00 0.00 0.00 175.10 175.05 2fur s LYS 155 N 1.20 4.15 0.08 2.72 1.02 -1.26 -1.67 119.74 125.98 2fur s LYS 155 Ca -0.08 0.42 -0.31 0.00 0.02 0.00 0.00 55.97 56.02 2fur s LYS 155 Cb -0.20 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.69 2fur s LYS 155 CO -0.05 0.42 1.78 -2.14 -0.92 0.00 0.00 175.35 174.43 2fur s PRO 156 N -0.21 4.16 -0.01 -1.68 0.02 -1.26 -4.35 135.00 131.68 2fur s PRO 156 Ca 0.24 2.48 -0.17 0.00 0.02 0.00 0.00 61.00 63.58 2fur s PRO 156 Cb -0.16 -3.71 -0.34 0.00 0.02 0.00 0.00 34.50 30.32 2fur s PRO 156 CO 0.11 -0.82 0.91 1.49 -0.33 0.00 0.00 177.00 178.36 2fur h GLU 157 N 8.88 0.45 -3.89 5.54 4.81 -0.15 -3.48 114.58 126.75 2fur h GLU 157 Ca -0.45 -0.76 -0.10 0.00 -0.13 0.00 0.00 59.36 57.92 2fur h GLU 157 Cb 1.21 0.28 -0.13 0.00 0.63 0.00 0.00 28.75 30.74 2fur h GLU 157 CO 0.94 1.37 -0.38 0.95 -0.73 0.00 0.00 179.01 181.16 2fur s THR 158 N -2.54 0.11 0.12 0.32 -4.23 -1.16 -5.04 115.64 103.23 2fur s THR 158 Ca -0.12 -1.32 -0.20 0.00 -1.18 0.00 0.00 61.69 58.87 2fur s THR 158 Cb 0.03 -1.57 0.05 0.00 1.34 0.00 0.00 72.50 72.35 2fur s THR 158 CO 0.90 -0.52 0.50 0.72 -0.54 0.00 0.00 174.62 175.68 2fur s PHE 159 N -3.91 -0.37 0.09 3.99 -0.71 -1.26 -0.86 117.98 114.94 2fur s PHE 159 Ca 0.11 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.18 2fur s PHE 159 Cb 0.05 0.38 -0.00 0.00 -1.21 0.00 0.00 43.02 42.24 2fur s PHE 159 CO -0.06 -0.74 0.11 -1.13 -1.34 0.00 0.00 175.22 172.06 2fur n SER 160 N -0.12 -0.31 0.00 1.98 3.41 -0.59 -4.85 113.62 113.14 2fur n SER 160 Ca -0.17 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 2fur n SER 160 Cb 0.63 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.18 2fur n SER 160 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2fur n LYS 162 N -0.15 0.00 -3.59 4.33 3.00 -0.71 -0.71 118.16 120.33 2fur n LYS 162 Ca 0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.16 2fur n LYS 162 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.12 2fur n LYS 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2fur s ALA 163 N -2.00 -1.42 -0.05 3.14 0.00 -0.67 -0.13 121.76 120.63 2fur s ALA 163 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2fur s ALA 163 Cb 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2fur s ALA 163 CO 0.00 -0.38 -0.17 0.50 0.00 0.00 0.00 175.76 175.72 2fur s ARG 164 N -1.53 1.81 0.15 0.00 3.52 -0.55 -2.38 118.95 119.97 2fur s ARG 164 Ca -0.10 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2fur s ARG 164 Cb -0.01 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 2fur s ARG 164 CO 0.06 0.22 -0.03 0.95 -0.81 0.00 0.00 175.30 175.69 2fur s THR 165 N 0.09 0.76 0.00 4.11 -4.23 -1.26 -1.62 115.64 113.49 2fur s THR 165 Ca -0.05 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2fur s THR 165 Cb -0.12 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.75 2fur s THR 165 CO 0.02 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 2fur n GLY 166 N -0.19 -2.23 3.73 3.99 0.00 -1.26 -5.02 105.19 104.22 2fur n GLY 166 Ca -0.09 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2fur n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fur s PRO 167 N -0.24 1.17 0.86 1.61 0.04 -1.26 -4.94 135.00 132.23 2fur s PRO 167 Ca 0.00 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.56 2fur s PRO 167 Cb 0.00 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.83 2fur s PRO 167 CO 0.00 -2.25 1.11 -1.25 0.04 0.00 0.00 177.00 174.64 2fur s PRO 168 N -5.03 1.56 -0.14 0.56 0.04 -1.26 -5.05 135.00 125.68 2fur s PRO 168 Ca 0.63 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 2fur s PRO 168 Cb -0.17 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2fur s PRO 168 CO 0.56 -2.15 -0.02 -1.01 0.04 0.00 0.00 177.00 174.42 2fur s HIS 169 N -2.81 3.06 0.05 0.56 3.76 -1.26 -5.05 115.29 113.61 2fur s HIS 169 Ca 0.64 -0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.28 2fur s HIS 169 Cb -0.19 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.59 2fur s HIS 169 CO 0.57 0.10 0.24 -0.51 -0.85 0.00 0.00 174.74 174.29 2fur s ASP 170 N 0.06 -0.02 -0.01 1.40 1.01 -1.26 -4.81 116.67 113.04 2fur s ASP 170 Ca 0.01 -0.34 0.05 0.00 0.71 0.00 0.00 52.55 52.98 2fur s ASP 170 Cb -0.13 0.33 -0.08 0.00 1.01 0.00 0.00 42.92 44.05 2fur s ASP 170 CO 0.02 -0.61 0.13 0.35 0.21 0.00 0.00 175.17 175.27 2fur n THR 171 N 0.50 0.00 -2.19 -1.27 -2.24 -1.26 -5.07 114.28 102.76 2fur n THR 171 Ca -0.18 -0.16 -0.38 0.00 -2.27 0.00 0.00 64.05 61.06 2fur n THR 171 Cb 0.60 0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2fur n THR 171 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2fur s SER 172 N -2.46 6.29 0.00 3.42 0.15 -1.26 -4.94 113.70 114.90 2fur s SER 172 Ca -0.01 2.44 0.27 0.00 0.70 0.00 0.00 55.95 59.35 2fur s SER 172 Cb 0.03 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.66 2fur s SER 172 CO 0.22 -0.84 1.68 0.35 1.20 0.00 0.00 173.24 175.84 2fur n THR 173 N -0.13 0.00 -1.67 6.45 -2.24 -1.26 -5.00 114.28 110.44 2fur n THR 173 Ca 0.05 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.35 2fur n THR 173 Cb 0.46 0.20 0.04 0.00 -2.10 0.00 0.00 70.33 68.93 2fur n THR 173 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2fur n ASP 174 N -0.79 1.61 -4.13 3.42 8.00 -1.26 -4.85 116.55 118.55 2fur n ASP 174 Ca 0.13 0.91 -0.42 0.00 0.71 0.00 0.00 54.79 56.12 2fur n ASP 174 Cb 0.32 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 39.95 2fur n ASP 174 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2fur n ASP 175 N -0.70 4.14 -3.98 -2.24 2.03 -1.26 -4.87 116.55 109.66 2fur n ASP 175 Ca 0.12 -2.85 -0.26 0.00 0.52 0.00 0.00 54.79 52.32 2fur n ASP 175 Cb 0.45 -1.66 -0.17 0.00 -0.72 0.00 0.00 41.12 39.03 2fur n ASP 175 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2fur s ILE 176 N 4.36 1.12 0.35 5.18 1.01 -1.26 -5.12 121.20 126.84 2fur s ILE 176 Ca 0.52 -0.42 -0.28 0.00 0.00 0.00 0.00 60.65 60.47 2fur s ILE 176 Cb 0.09 -1.06 -0.11 0.00 0.01 0.00 0.00 42.46 41.39 2fur s ILE 176 CO 0.01 0.36 1.39 0.86 0.00 0.00 0.00 174.94 177.57 2fur s TRP 177 N 1.07 2.84 0.03 3.97 -0.00 -1.26 -4.86 118.94 120.74 2fur s TRP 177 Ca -0.07 1.29 0.00 0.00 -0.00 0.00 0.00 56.10 57.33 2fur s TRP 177 Cb -0.15 -3.84 -0.02 0.00 -0.00 0.00 0.00 33.47 29.47 2fur s TRP 177 CO -0.01 -2.38 -0.04 -1.54 -0.00 0.00 0.00 176.95 172.98 2fur s SER 178 N -0.31 0.41 0.00 5.86 1.04 -1.26 -4.67 113.70 114.78 2fur s SER 178 Ca 0.51 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2fur s SER 178 Cb -0.43 0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2fur s SER 178 CO 0.57 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.07 2fur n GLY 179 N 1.32 -1.61 3.28 7.32 0.00 -0.59 -5.03 105.19 109.88 2fur n GLY 179 Ca -0.22 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 2fur n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fur s VAL 180 N -2.70 2.65 -0.53 1.61 1.01 -1.26 -1.38 120.40 119.80 2fur s VAL 180 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 2fur s VAL 180 Cb 0.00 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2fur s VAL 180 CO 0.00 0.52 0.77 -0.76 0.00 0.00 0.00 175.10 175.63 2fur s LEU 181 N 0.62 4.60 0.41 3.92 1.02 0.02 -4.94 118.68 124.34 2fur s LEU 181 Ca -0.09 -0.70 -0.26 0.00 0.02 0.00 0.00 54.13 53.11 2fur s LEU 181 Cb -0.16 -2.60 -0.08 0.00 0.02 0.00 0.00 46.19 43.37 2fur s LEU 181 CO 0.03 -1.05 1.28 -2.84 0.02 0.00 0.00 176.35 173.79 2fur s PRO 182 N 3.22 3.94 -0.19 1.29 0.02 -1.26 -0.97 135.00 141.05 2fur s PRO 182 Ca 0.21 2.10 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 2fur s PRO 182 Cb -0.16 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 2fur s PRO 182 CO 0.15 -0.50 -0.09 0.42 -0.33 0.00 0.00 177.00 176.65 2fur s ILE 183 N -1.29 3.07 -0.09 2.83 1.01 0.03 -4.89 121.20 121.87 2fur s ILE 183 Ca 0.58 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2fur s ILE 183 Cb -0.37 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2fur s ILE 183 CO 0.47 0.47 -0.01 -1.10 0.00 0.00 0.00 174.94 174.77 2fur s GLN 184 N 1.11 3.02 -0.23 2.79 -1.52 -1.26 -4.63 119.66 118.94 2fur s GLN 184 Ca 0.01 -0.43 -0.00 0.00 -1.95 0.00 0.00 55.36 52.98 2fur s GLN 184 Cb -0.14 -2.78 0.03 0.00 -0.22 0.00 0.00 33.01 29.89 2fur s GLN 184 CO -0.02 0.66 -0.10 -1.01 -0.25 0.00 0.00 175.29 174.56 2fur s HIS 185 N -0.76 3.01 -0.00 0.91 3.76 -1.26 -5.08 115.29 115.87 2fur s HIS 185 Ca 0.12 -1.65 0.04 0.00 -0.15 0.00 0.00 55.06 53.42 2fur s HIS 185 Cb -0.11 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 2fur s HIS 185 CO 0.02 -0.76 -0.13 0.99 -0.85 0.00 0.00 174.74 174.01 2fur s THR 186 N 1.29 1.00 -0.11 1.30 2.01 -1.26 -0.46 115.64 119.42 2fur s THR 186 Ca 0.01 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 2fur s THR 186 Cb -0.16 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 2fur s THR 186 CO -0.07 0.25 0.86 -0.63 -0.69 0.00 0.00 174.62 174.35 2fur s ILE 187 N -0.35 4.89 0.51 1.82 1.01 0.15 -4.95 121.20 124.28 2fur s ILE 187 Ca 0.04 1.74 0.08 0.00 0.00 0.00 0.00 60.65 62.51 2fur s ILE 187 Cb -0.05 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.29 2fur s ILE 187 CO -0.00 0.08 0.70 -0.94 0.00 0.00 0.00 174.94 174.78 2fur s SER 188 N 1.05 5.34 0.28 3.58 1.04 -1.26 0.33 113.70 124.06 2fur s SER 188 Ca 0.42 -0.55 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 2fur s SER 188 Cb -0.18 -0.28 -0.10 0.00 0.10 0.00 0.00 66.02 65.57 2fur s SER 188 CO 0.17 -1.08 1.37 -1.83 0.98 0.00 0.00 173.24 172.85 2fur s GLU 189 N -4.55 4.32 -0.02 4.02 1.03 -1.26 -4.75 118.70 117.49 2fur s GLU 189 Ca 0.58 2.24 0.09 0.00 0.03 0.00 0.00 54.97 57.91 2fur s GLU 189 Cb -0.08 -3.10 0.24 0.00 -0.80 0.00 0.00 34.13 30.39 2fur s GLU 189 CO 0.36 -0.30 1.20 0.00 -1.33 0.00 0.00 175.26 175.19 2fur n ALA 190 N 1.62 2.20 0.00 -0.84 0.00 -1.26 -5.08 120.51 117.15 2fur n ALA 190 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2fur n ALA 190 Cb 0.41 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2fur n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fur n GLY 191 N 0.09 3.17 0.14 0.00 0.00 -1.26 -4.84 105.19 102.49 2fur n GLY 191 Ca 0.10 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.49 2fur n GLY 191 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2fur h GLU 192 N 0.00 0.00 -0.06 1.61 4.39 -2.02 -3.14 114.58 115.36 2fur h GLU 192 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2fur h GLU 192 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2fur h GLU 192 CO 0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 2fur n ASN 193 N -2.39 1.52 -4.75 1.42 3.02 -1.26 -4.92 115.26 107.90 2fur n ASN 193 Ca 0.04 -1.56 -0.37 0.00 -0.03 0.00 0.00 54.58 52.66 2fur n ASN 193 Cb 0.34 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.52 2fur n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fur s ALA 194 N -1.93 2.66 0.89 5.41 0.00 -1.19 -5.00 121.76 122.59 2fur s ALA 194 Ca 0.36 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 2fur s ALA 194 Cb 0.20 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.94 2fur s ALA 194 CO 0.31 -1.26 1.11 -1.25 0.00 0.00 0.00 175.76 174.67 2fur s PRO 195 N -3.11 1.26 0.35 0.00 0.04 -1.26 -4.72 135.00 127.56 2fur s PRO 195 Ca 0.75 1.27 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2fur s PRO 195 Cb -0.35 -1.78 0.63 0.00 0.04 0.00 0.00 34.50 33.04 2fur s PRO 195 CO 0.40 -2.37 2.01 1.49 0.04 0.00 0.00 177.00 178.57 2fur h GLU 196 N -1.67 0.84 0.00 4.56 4.22 -1.98 -0.94 114.58 119.62 2fur h GLU 196 Ca -0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 2fur h GLU 196 Cb 1.26 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2fur h GLU 196 CO 0.47 0.56 -0.06 0.10 -2.18 0.00 0.00 179.01 177.90 2fur h TYR 197 N 0.87 0.00 0.05 0.92 -0.00 -1.91 -0.15 116.97 116.74 2fur h TYR 197 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.87 2fur h TYR 197 Cb -0.10 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.64 2fur h TYR 197 CO 0.00 0.06 -0.39 0.28 -0.00 0.00 0.00 178.16 178.11 2fur h VAL 198 N 0.00 1.60 0.00 -0.90 2.07 -1.53 -3.34 116.25 114.15 2fur h VAL 198 Ca -0.00 -2.26 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 2fur h VAL 198 Cb 0.12 3.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2fur h VAL 198 CO 0.01 0.62 -0.08 0.11 0.02 0.00 0.00 177.57 178.25 2fur h LYS 199 N -0.56 0.00 0.00 1.57 1.57 -0.86 -0.92 116.57 117.37 2fur h LYS 199 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2fur h LYS 199 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2fur h LYS 199 CO 0.07 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 177.90 2fur n SER 200 N -3.59 0.17 0.01 0.86 3.41 -0.11 -2.16 113.62 112.21 2fur n SER 200 Ca -0.02 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 2fur n SER 200 Cb 0.20 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 2fur n SER 200 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2fur n LEU 201 N -1.71 0.49 -4.68 1.04 4.77 -0.35 -4.83 117.00 111.73 2fur n LEU 201 Ca 0.01 -0.09 -0.49 0.00 -0.03 0.00 0.00 56.01 55.42 2fur n LEU 201 Cb 0.09 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2fur n LEU 201 CO 0.09 0.05 1.47 -1.22 -1.33 0.00 0.00 177.39 176.45 2fur n TYR 202 N -2.03 2.31 -0.40 -1.77 4.02 -0.92 -1.15 117.16 117.23 2fur n TYR 202 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2fur n TYR 202 Cb 0.47 -2.65 0.00 0.00 -0.02 0.00 0.00 39.34 37.14 2fur n TYR 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2fur n GLY 203 N 4.35 1.52 3.73 2.72 0.00 0.15 -4.99 105.19 112.66 2fur n GLY 203 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2fur n GLY 203 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fur s LYS 204 N -0.25 4.49 -0.04 1.61 2.20 -0.30 -4.72 119.74 122.73 2fur s LYS 204 Ca 0.00 1.80 -0.20 0.00 -0.36 0.00 0.00 55.97 57.21 2fur s LYS 204 Cb 0.00 -3.29 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 2fur s LYS 204 CO 0.00 -0.12 0.58 -0.98 -0.36 0.00 0.00 175.35 174.47 2fur s ARG 205 N 0.22 4.33 0.48 4.03 1.70 -1.26 -0.67 118.95 127.78 2fur s ARG 205 Ca 0.54 0.69 0.02 0.00 -0.47 0.00 0.00 55.73 56.52 2fur s ARG 205 Cb -0.31 -3.37 -0.03 0.00 -0.57 0.00 0.00 34.95 30.67 2fur s ARG 205 CO 0.33 0.29 0.02 0.96 -1.08 0.00 0.00 175.30 175.82 2fur s ILE 206 N 0.11 1.22 -1.64 4.99 -4.36 0.40 -4.76 121.20 117.16 2fur s ILE 206 Ca 0.31 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.70 2fur s ILE 206 Cb -0.17 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.20 2fur s ILE 206 CO 0.16 0.00 0.02 0.49 0.24 0.00 0.00 174.94 175.85 2fur n PHE 207 N -1.16 -0.94 -0.91 1.37 3.72 -1.26 -4.48 117.46 113.80 2fur n PHE 207 Ca -0.15 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2fur n PHE 207 Cb 0.67 -3.75 0.00 0.00 -0.94 0.00 0.00 39.48 35.45 2fur n PHE 207 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15