#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fug n ARG 16 N 0.00 0.00 0.00 5.31 0.00 -1.26 -2.01 116.66 118.70 2fug n ARG 16 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2fug n ARG 16 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 32.25 2fug n ARG 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2fug n GLU 17 N -0.23 0.53 -2.08 -0.14 1.02 -1.26 -3.85 120.64 114.63 2fug n GLU 17 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2fug n GLU 17 Cb 0.00 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 2fug n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2fug s GLY 18 N -0.16 1.86 0.52 0.62 0.00 -0.85 -4.85 107.32 104.46 2fug s GLY 18 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 44.72 44.95 2fug s GLY 18 CO 0.00 0.34 2.14 -2.22 0.00 0.00 0.00 173.10 173.36 2fug h ILE 19 N 0.22 0.98 0.31 0.90 2.04 -1.89 -0.45 117.51 119.61 2fug h ILE 19 Ca -0.45 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2fug h ILE 19 Cb 1.19 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2fug h ILE 19 CO 0.61 0.00 -0.15 0.25 0.00 0.00 0.00 178.15 178.86 2fug h LEU 20 N 0.00 -0.35 -0.98 1.44 5.85 -1.91 -1.77 115.31 117.59 2fug h LEU 20 Ca 0.02 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2fug h LEU 20 Cb 0.07 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2fug h LEU 20 CO -0.00 -0.18 0.63 0.15 -0.34 0.00 0.00 178.44 178.69 2fug h PHE 21 N -0.54 1.16 0.00 1.25 3.57 -1.76 -2.68 116.94 117.94 2fug h PHE 21 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2fug h PHE 21 Cb 0.31 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2fug h PHE 21 CO 0.09 0.59 0.00 2.41 -2.23 0.00 0.00 178.31 179.18 2fug n THR 22 N -4.53 0.00 0.21 4.41 -1.04 -0.19 -2.00 114.28 111.14 2fug n THR 22 Ca 0.15 1.49 0.07 0.00 -2.04 0.00 0.00 64.05 63.72 2fug n THR 22 Cb 0.19 -2.46 0.37 0.00 -1.82 0.00 0.00 70.33 66.61 2fug n THR 22 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2fug h THR 23 N 0.00 0.00 0.01 12.58 2.02 -1.32 -0.49 112.91 125.71 2fug h THR 23 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2fug h THR 23 Cb 0.00 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2fug h THR 23 CO 0.00 0.00 -0.00 0.25 0.37 0.00 0.00 175.52 176.14 2fug h LEU 24 N 0.00 -0.01 -1.24 2.58 5.85 -1.15 -2.74 115.31 118.61 2fug h LEU 24 Ca 0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.90 2fug h LEU 24 Cb 0.83 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.78 2fug h LEU 24 CO 0.00 0.08 0.61 1.05 -0.34 0.00 0.00 178.44 179.84 2fug h GLU 25 N -0.19 0.62 0.00 1.25 4.11 -0.71 0.77 114.58 120.43 2fug h GLU 25 Ca -0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 2fug h GLU 25 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2fug h GLU 25 CO 0.00 0.41 -0.30 1.57 0.07 0.00 0.00 179.01 180.76 2fug h LYS 26 N 0.64 0.00 0.07 1.06 5.09 -1.26 0.68 116.57 122.85 2fug h LYS 26 Ca 0.51 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 61.00 2fug h LYS 26 Cb 0.95 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.28 2fug h LYS 26 CO -0.27 0.30 -1.09 1.25 -2.09 0.00 0.00 179.45 177.55 2fug h LEU 27 N 0.00 0.49 0.17 7.07 5.85 0.64 -2.56 115.31 126.96 2fug h LEU 27 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2fug h LEU 27 Cb 0.54 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2fug h LEU 27 CO 0.04 1.29 -0.08 0.58 -0.34 0.00 0.00 178.44 179.93 2fug h VAL 28 N 0.15 0.95 -0.40 1.05 2.07 0.11 -2.58 116.25 117.60 2fug h VAL 28 Ca -0.11 -0.66 0.07 0.00 0.82 0.00 0.00 66.70 66.82 2fug h VAL 28 Cb 1.77 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.83 2fug h VAL 28 CO 0.18 0.15 0.04 0.00 0.02 0.00 0.00 177.57 177.97 2fug h ALA 29 N 0.20 0.41 -0.87 1.67 0.00 0.25 0.46 119.26 121.38 2fug h ALA 29 Ca -0.02 0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.18 2fug h ALA 29 Cb 0.42 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2fug h ALA 29 CO 0.04 -0.36 0.58 2.35 0.00 0.00 0.00 179.25 181.86 2fug h TRP 30 N 0.16 0.49 0.33 0.00 2.91 -1.44 0.46 115.95 118.86 2fug h TRP 30 Ca 0.20 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.22 2fug h TRP 30 Cb 0.26 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 2fug h TRP 30 CO -0.23 0.14 -0.16 0.78 -1.03 0.00 0.00 178.44 177.94 2fug h GLY 31 N 0.38 -0.47 1.60 2.65 0.00 0.17 -2.92 103.07 104.47 2fug h GLY 31 Ca 0.45 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.95 2fug h GLY 31 CO -0.15 -0.17 0.11 -2.13 0.00 0.00 0.00 176.54 174.20 2fug n ARG 32 N -4.07 0.02 -0.14 4.80 0.63 0.70 -0.46 116.66 118.15 2fug n ARG 32 Ca -0.06 0.44 -0.02 0.00 -0.92 0.00 0.00 57.85 57.30 2fug n ARG 32 Cb 0.18 -1.69 0.22 0.00 0.45 0.00 0.00 32.46 31.61 2fug n ARG 32 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2fug h SER 33 N 0.00 0.77 -0.02 6.15 0.87 0.10 -2.97 113.55 118.45 2fug h SER 33 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2fug h SER 33 Cb 0.22 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2fug h SER 33 CO 0.00 0.70 -0.17 0.59 -0.53 0.00 0.00 176.83 177.43 2fug n ASN 34 N -4.32 2.30 -2.15 6.23 4.13 0.40 -4.21 115.26 117.63 2fug n ASN 34 Ca 0.05 -1.65 -0.25 0.00 1.68 0.00 0.00 54.58 54.41 2fug n ASN 34 Cb 0.18 0.20 0.14 0.00 -1.54 0.00 0.00 39.78 38.75 2fug n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2fug n SER 35 N 0.62 4.77 -4.70 6.41 3.41 -1.12 -4.94 113.62 118.07 2fug n SER 35 Ca 0.10 -3.51 -0.42 0.00 -0.26 0.00 0.00 58.87 54.78 2fug n SER 35 Cb 0.45 -0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 2fug n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2fug s LEU 36 N -3.12 4.32 -0.67 1.04 1.43 -1.25 -5.00 118.68 115.43 2fug s LEU 36 Ca 0.54 1.56 -0.00 0.00 -1.03 0.00 0.00 54.13 55.19 2fug s LEU 36 Cb 0.44 -3.51 0.17 0.00 0.03 0.00 0.00 46.19 43.32 2fug s LEU 36 CO 0.07 -0.31 0.48 0.86 0.23 0.00 0.00 176.35 177.68 2fug s TRP 37 N 1.35 3.48 -0.31 0.29 -0.00 -1.26 -5.06 118.94 117.43 2fug s TRP 37 Ca 0.49 -2.97 -0.37 0.00 -0.00 0.00 0.00 56.10 53.26 2fug s TRP 37 Cb -0.20 -3.06 -0.13 0.00 -0.00 0.00 0.00 33.47 30.08 2fug s TRP 37 CO 0.23 -0.76 2.05 -2.30 -0.00 0.00 0.00 176.95 176.18 2fug n PRO 38 N 2.94 1.18 -3.55 5.86 -0.02 -1.26 -3.26 135.00 136.90 2fug n PRO 38 Ca 0.12 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.67 2fug n PRO 38 Cb 0.36 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 2fug n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fug n ALA 39 N 8.37 3.95 -1.59 3.55 0.00 -0.69 -5.00 120.51 129.09 2fug n ALA 39 Ca 0.36 -4.69 -0.49 0.00 0.00 0.00 0.00 53.44 48.62 2fug n ALA 39 Cb 0.20 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 2fug n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2fug n THR 40 N 1.37 0.74 -3.25 0.00 5.66 -1.26 -3.52 114.28 114.03 2fug n THR 40 Ca 0.26 -0.19 -0.25 0.00 -3.05 0.00 0.00 64.05 60.83 2fug n THR 40 Cb 0.38 -0.94 -0.07 0.00 -1.55 0.00 0.00 70.33 68.16 2fug n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2fug n PHE 41 N 1.75 1.21 -1.98 1.09 7.35 0.37 -4.88 117.46 122.38 2fug n PHE 41 Ca 0.15 -3.80 -0.31 0.00 -0.76 0.00 0.00 57.45 52.73 2fug n PHE 41 Cb 0.25 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.65 2fug n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2fug s GLY 42 N -1.85 1.70 0.00 7.13 0.00 -1.26 -3.23 107.32 109.81 2fug s GLY 42 Ca 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.02 2fug s GLY 42 CO -0.08 0.18 0.00 1.04 0.00 0.00 0.00 173.10 174.25 2fug n LEU 43 N -2.58 0.00 0.00 0.66 4.77 0.11 -4.89 117.00 115.08 2fug n LEU 43 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2fug n LEU 43 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2fug n LEU 43 CO 0.56 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 2fug n ALA 44 N -2.60 0.00 -0.30 -1.18 0.00 -1.26 -4.63 120.51 110.54 2fug n ALA 44 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2fug n ALA 44 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 2fug n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fug h ALA 47 N 1.57 2.25 0.22 0.00 0.00 -1.00 -0.46 119.26 121.85 2fug h ALA 47 Ca 0.47 0.16 -0.30 0.00 0.00 0.00 0.00 54.91 55.24 2fug h ALA 47 Cb 0.70 0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.70 2fug h ALA 47 CO -0.39 -0.87 -1.31 0.82 0.00 0.00 0.00 179.25 177.50 2fug h ILE 48 N 0.22 1.34 0.00 0.00 5.03 -1.31 -3.25 117.51 119.53 2fug h ILE 48 Ca 0.76 -2.64 0.00 0.00 -0.12 0.00 0.00 64.86 62.86 2fug h ILE 48 Cb 2.01 3.06 0.00 0.00 -3.03 0.00 0.00 36.82 38.86 2fug h ILE 48 CO -0.54 0.78 0.00 1.21 -0.68 0.00 0.00 178.15 178.93 2fug n GLU 49 N -3.82 0.06 0.00 2.37 4.07 -0.32 -2.22 120.64 120.78 2fug n GLU 49 Ca -0.16 0.16 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 2fug n GLU 49 Cb 1.03 -1.58 0.12 0.00 -0.06 0.00 0.00 31.44 30.95 2fug n GLU 49 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fug n MET 50 N -1.68 0.00 0.06 5.31 0.00 -0.41 -3.83 117.12 116.57 2fug n MET 50 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.88 2fug n MET 50 Cb 0.29 -1.50 0.50 0.00 0.00 0.00 0.00 33.22 32.50 2fug n MET 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2fug n MET 51 N -1.51 0.14 -0.20 3.17 2.81 -0.94 -3.09 117.12 117.51 2fug n MET 51 Ca 0.05 0.13 0.03 0.00 -1.81 0.00 0.00 57.70 56.11 2fug n MET 51 Cb 0.33 -1.67 0.12 0.00 -0.71 0.00 0.00 33.22 31.30 2fug n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fug n ALA 52 N -1.66 2.65 0.15 3.04 0.00 -1.25 -2.78 120.51 120.66 2fug n ALA 52 Ca 0.06 -0.53 0.05 0.00 0.00 0.00 0.00 53.44 53.02 2fug n ALA 52 Cb 0.38 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 18.91 2fug n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fug n SER 53 N 0.24 2.23 -3.46 0.00 7.64 -1.18 -4.68 113.62 114.42 2fug n SER 53 Ca 0.09 -1.67 -0.40 0.00 1.01 0.00 0.00 58.87 57.90 2fug n SER 53 Cb 0.35 -0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.49 2fug n SER 53 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2fug n THR 54 N 0.44 5.47 -3.45 0.44 -1.04 -1.12 -4.93 114.28 110.10 2fug n THR 54 Ca 0.07 -5.59 -0.43 0.00 -2.04 0.00 0.00 64.05 56.06 2fug n THR 54 Cb 0.31 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 2fug n THR 54 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2fug s ASP 55 N -1.33 5.92 0.00 8.00 2.15 -1.26 -5.14 116.67 125.01 2fug s ASP 55 Ca 0.42 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.56 2fug s ASP 55 Cb 0.25 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2fug s ASP 55 CO -0.20 -0.76 0.00 0.00 -0.17 0.00 0.00 175.17 174.04 2fug n ALA 56 N 5.06 0.00 0.00 3.66 0.00 -1.26 -5.24 120.51 122.72 2fug n ALA 56 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2fug n ALA 56 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2fug n ALA 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fug n GLN 74 N 0.00 0.00 -4.23 0.00 1.13 -1.26 -5.32 117.38 107.70 2fug n GLN 74 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 2fug n GLN 74 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 2fug n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fug s ALA 75 N 0.00 0.58 0.36 -1.58 0.00 -1.26 -5.00 121.76 114.86 2fug s ALA 75 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.67 2fug s ALA 75 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2fug s ALA 75 CO 0.00 0.13 0.17 0.16 0.00 0.00 0.00 175.76 176.22 2fug s ASP 76 N -0.29 2.17 -0.54 0.00 -4.77 -1.20 -4.50 116.67 107.54 2fug s ASP 76 Ca 0.02 -1.66 -0.17 0.00 -3.30 0.00 0.00 52.55 47.44 2fug s ASP 76 Cb -0.03 0.48 0.02 0.00 -1.09 0.00 0.00 42.92 42.30 2fug s ASP 76 CO -0.00 -0.95 0.64 0.52 0.70 0.00 0.00 175.17 176.08 2fug n VAL 77 N -0.75 -8.36 -3.29 2.11 0.31 -1.25 -3.80 118.33 103.30 2fug n VAL 77 Ca -0.01 0.37 -0.38 0.00 -0.01 0.00 0.00 64.34 64.31 2fug n VAL 77 Cb 0.64 -5.85 -0.06 0.00 -0.91 0.00 0.00 33.84 27.66 2fug n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fug s MET 78 N -2.91 4.32 -0.26 5.55 0.23 -0.82 -1.71 119.30 123.70 2fug s MET 78 Ca 0.20 0.52 -0.10 0.00 -1.03 0.00 0.00 55.69 55.28 2fug s MET 78 Cb -0.04 -3.41 -0.05 0.00 -1.53 0.00 0.00 34.83 29.80 2fug s MET 78 CO 0.81 0.20 0.16 0.42 -2.03 0.00 0.00 175.02 174.58 2fug s ILE 79 N 0.45 5.18 -0.39 3.16 1.01 -1.23 -2.75 121.20 126.62 2fug s ILE 79 Ca 0.28 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.86 2fug s ILE 79 Cb -0.16 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2fug s ILE 79 CO 0.12 0.29 0.51 -0.69 0.00 0.00 0.00 174.94 175.17 2fug s VAL 80 N 1.51 5.01 -0.48 2.92 1.01 -0.33 -0.48 120.40 129.56 2fug s VAL 80 Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2fug s VAL 80 Cb -0.15 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.32 2fug s VAL 80 CO 0.08 -0.37 0.25 0.00 0.00 0.00 0.00 175.10 175.05 2fug s ALA 81 N 2.38 2.71 0.00 5.51 0.00 -1.20 0.55 121.76 131.71 2fug s ALA 81 Ca 0.17 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.21 2fug s ALA 81 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2fug s ALA 81 CO 0.15 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.28 2fug n GLY 82 N 3.35 -0.20 3.63 0.00 0.00 -1.26 0.10 105.19 110.81 2fug n GLY 82 Ca 0.07 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 2fug n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2fug s ARG 83 N -1.34 3.87 -0.93 1.61 1.70 -1.26 -3.10 118.95 119.50 2fug s ARG 83 Ca 0.00 1.28 -0.22 0.00 -0.47 0.00 0.00 55.73 56.31 2fug s ARG 83 Cb 0.00 -3.91 0.07 0.00 -0.57 0.00 0.00 34.95 30.54 2fug s ARG 83 CO 0.00 -1.18 1.30 -1.17 -1.08 0.00 0.00 175.30 173.17 2fug s LEU 84 N 4.56 3.98 0.83 -1.89 1.98 -1.26 -4.77 118.68 122.11 2fug s LEU 84 Ca 0.59 -1.47 -0.13 0.00 -2.89 0.00 0.00 54.13 50.23 2fug s LEU 84 Cb -0.17 -2.51 0.07 0.00 0.66 0.00 0.00 46.19 44.24 2fug s LEU 84 CO 0.25 -1.42 1.02 -0.24 -1.89 0.00 0.00 176.35 174.07 2fug n SER 85 N 8.18 0.29 0.15 3.68 2.88 -1.26 -2.42 113.62 125.12 2fug n SER 85 Ca 0.24 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 2fug n SER 85 Cb 0.50 -1.43 0.26 0.00 -0.75 0.00 0.00 64.21 62.78 2fug n SER 85 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2fug h LYS 86 N -1.05 0.05 -0.10 -1.46 1.57 -1.80 0.83 116.57 114.61 2fug h LYS 86 Ca -0.45 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 2fug h LYS 86 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2fug h LYS 86 CO 0.43 0.52 -0.35 -0.22 -0.57 0.00 0.00 179.45 179.27 2fug h LYS 87 N 0.04 0.21 0.02 3.15 3.64 -1.90 -2.44 116.57 119.29 2fug h LYS 87 Ca -0.00 -0.08 -0.22 0.00 -1.27 0.00 0.00 60.65 59.08 2fug h LYS 87 Cb 0.86 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2fug h LYS 87 CO 0.06 0.53 -1.03 1.98 -2.27 0.00 0.00 179.45 178.73 2fug h MET 88 N 0.18 0.06 0.00 1.90 4.05 -1.76 -3.40 114.93 115.96 2fug h MET 88 Ca 0.02 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2fug h MET 88 Cb 0.70 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2fug h MET 88 CO 0.05 1.03 0.00 0.00 0.23 0.00 0.00 176.91 178.22 2fug n ALA 89 N -2.39 0.00 -0.40 0.39 0.00 0.23 -1.02 120.51 117.31 2fug n ALA 89 Ca -0.02 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.76 2fug n ALA 89 Cb 0.94 0.40 0.65 0.00 0.00 0.00 0.00 19.45 21.43 2fug n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2fug h PRO 90 N 0.00 0.15 0.25 0.00 0.13 -1.77 -1.75 132.00 129.00 2fug h PRO 90 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2fug h PRO 90 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 2fug h PRO 90 CO 0.00 0.10 -0.12 0.28 -0.23 0.00 0.00 178.00 178.03 2fug h VAL 91 N 0.15 0.81 -1.00 1.56 2.07 -1.32 -2.31 116.25 116.22 2fug h VAL 91 Ca 0.70 -0.61 0.17 0.00 0.82 0.00 0.00 66.70 67.79 2fug h VAL 91 Cb 2.29 1.14 -0.10 0.00 -1.52 0.00 0.00 31.29 33.10 2fug h VAL 91 CO -0.24 0.13 0.62 -0.03 0.02 0.00 0.00 177.57 178.06 2fug h MET 92 N -0.66 0.78 0.00 1.57 1.85 -0.97 -1.29 114.93 116.21 2fug h MET 92 Ca -0.03 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2fug h MET 92 Cb 0.46 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2fug h MET 92 CO 0.06 0.52 0.00 -2.13 -0.40 0.00 0.00 176.91 174.95 2fug n ARG 93 N -4.70 0.00 -0.48 0.39 3.00 -1.03 -0.96 116.66 112.89 2fug n ARG 93 Ca 0.22 0.66 0.42 0.00 -0.00 0.00 0.00 57.85 59.15 2fug n ARG 93 Cb 0.52 -1.49 0.76 0.00 0.00 0.00 0.00 32.46 32.25 2fug n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2fug h ARG 94 N 0.00 0.02 0.00 -0.14 3.08 -0.85 1.86 114.38 118.36 2fug h ARG 94 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2fug h ARG 94 Cb 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2fug h ARG 94 CO 0.00 0.01 -0.12 0.28 -1.07 0.00 0.00 179.97 179.08 2fug h VAL 95 N 0.02 0.22 0.00 2.04 2.07 -0.33 -2.86 116.25 117.41 2fug h VAL 95 Ca 0.72 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2fug h VAL 95 Cb 2.83 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 34.59 2fug h VAL 95 CO -0.05 0.12 -0.32 -0.25 0.02 0.00 0.00 177.57 177.09 2fug h TRP 96 N 0.00 0.00 -1.08 1.57 7.01 0.47 -3.33 115.95 120.58 2fug h TRP 96 Ca -0.00 0.00 0.32 0.00 2.11 0.00 0.00 58.89 61.31 2fug h TRP 96 Cb 0.99 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.93 2fug h TRP 96 CO 0.00 0.52 0.66 0.93 -2.79 0.00 0.00 178.44 177.76 2fug h GLU 97 N -1.00 0.33 -1.94 2.65 5.08 -1.20 -1.24 114.58 117.26 2fug h GLU 97 Ca -0.06 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 2fug h GLU 97 Cb 0.59 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2fug h GLU 97 CO -0.04 0.22 -0.02 0.94 -1.00 0.00 0.00 179.01 179.11 2fug n GLN 98 N -4.82 1.87 -4.25 2.33 7.27 -1.08 -4.82 117.38 113.88 2fug n GLN 98 Ca 0.30 -1.19 -0.14 0.00 0.07 0.00 0.00 57.00 56.04 2fug n GLN 98 Cb 1.01 -1.78 -0.10 0.00 2.41 0.00 0.00 30.24 31.77 2fug n GLN 98 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 2fug s MET 99 N -0.21 1.08 0.00 3.69 -1.94 -0.47 -4.99 119.30 116.46 2fug s MET 99 Ca 0.47 -1.49 -0.30 0.00 -1.71 0.00 0.00 55.69 52.66 2fug s MET 99 Cb 0.26 -0.48 -0.05 0.00 2.01 0.00 0.00 34.83 36.57 2fug s MET 99 CO -0.05 -0.01 1.29 -1.25 -0.01 0.00 0.00 175.02 174.98 2fug s PRO 100 N -3.82 4.34 0.18 2.03 0.04 -1.26 -4.93 135.00 131.58 2fug s PRO 100 Ca 0.19 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2fug s PRO 100 Cb 0.04 -3.50 0.35 0.00 0.04 0.00 0.00 34.50 31.44 2fug s PRO 100 CO 0.02 -0.46 0.97 -3.47 0.04 0.00 0.00 177.00 174.11 2fug n ASP 101 N 4.91 -0.17 -4.42 6.66 -0.08 -1.26 -3.11 116.55 119.07 2fug n ASP 101 Ca 0.11 1.07 -0.33 0.00 -1.51 0.00 0.00 54.79 54.13 2fug n ASP 101 Cb 0.45 -0.35 -0.05 0.00 2.34 0.00 0.00 41.12 43.51 2fug n ASP 101 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2fug n PRO 102 N -4.94 1.88 -4.46 -0.67 -0.02 -1.26 -4.84 135.00 120.68 2fug n PRO 102 Ca 0.12 -2.52 -0.22 0.00 -2.02 0.00 0.00 63.50 58.85 2fug n PRO 102 Cb 0.37 -3.57 -0.10 0.00 -0.02 0.00 0.00 33.50 30.18 2fug n PRO 102 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2fug s LYS 103 N 5.81 1.69 0.23 -0.52 -2.85 -1.18 -4.76 119.74 118.16 2fug s LYS 103 Ca 0.64 -1.95 -0.01 0.00 -1.00 0.00 0.00 55.97 53.65 2fug s LYS 103 Cb 0.03 -0.86 -0.03 0.00 -2.06 0.00 0.00 37.83 34.90 2fug s LYS 103 CO 0.12 -0.22 0.19 -1.58 0.10 0.00 0.00 175.35 173.97 2fug s TRP 104 N -3.27 1.18 -0.08 1.78 0.51 -1.26 -4.60 118.94 113.20 2fug s TRP 104 Ca 0.35 -1.37 -0.03 0.00 -2.12 0.00 0.00 56.10 52.93 2fug s TRP 104 Cb 0.08 -0.51 0.04 0.00 -0.81 0.00 0.00 33.47 32.28 2fug s TRP 104 CO 0.15 -0.72 0.16 0.08 -0.51 0.00 0.00 176.95 176.12 2fug s VAL 105 N -4.00 -0.16 -0.10 4.03 1.01 -1.26 -1.94 120.40 117.98 2fug s VAL 105 Ca 0.38 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2fug s VAL 105 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2fug s VAL 105 CO 0.14 0.11 -0.19 -0.63 0.00 0.00 0.00 175.10 174.53 2fug s ILE 106 N 1.71 2.53 -0.32 2.22 1.01 -1.11 -0.60 121.20 126.64 2fug s ILE 106 Ca -0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2fug s ILE 106 Cb -0.12 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 2fug s ILE 106 CO -0.06 0.55 0.23 -0.94 0.00 0.00 0.00 174.94 174.72 2fug s SER 107 N 0.13 6.06 -0.22 3.58 1.04 -0.35 -1.18 113.70 122.75 2fug s SER 107 Ca -0.10 -0.27 -0.25 0.00 0.48 0.00 0.00 55.95 55.81 2fug s SER 107 Cb -0.16 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 2fug s SER 107 CO 0.06 -0.18 0.84 -0.32 0.98 0.00 0.00 173.24 174.62 2fug s MET 108 N 1.75 4.22 0.37 4.02 1.75 0.19 -0.59 119.30 131.01 2fug s MET 108 Ca 0.07 0.99 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 2fug s MET 108 Cb -0.17 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 33.88 2fug s MET 108 CO 0.11 -0.47 0.00 0.41 -0.65 0.00 0.00 175.02 174.42 2fug n GLY 109 N 3.64 -2.02 0.00 2.11 0.00 0.13 -4.07 105.19 104.99 2fug n GLY 109 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2fug n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug n ALA 110 N -2.59 0.00 -0.02 4.61 0.00 -0.18 -1.82 120.51 120.51 2fug n ALA 110 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2fug n ALA 110 Cb 0.66 0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.21 2fug n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fug h ALA 112 N 0.09 -0.52 -3.00 0.00 0.00 -1.50 -3.39 119.26 110.94 2fug h ALA 112 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2fug h ALA 112 Cb 0.03 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2fug h ALA 112 CO -0.05 -0.49 0.00 0.43 0.00 0.00 0.00 179.25 179.15 2fug n SER 113 N -5.12 0.00 -4.92 0.00 7.64 0.40 -0.78 113.62 110.84 2fug n SER 113 Ca -0.07 0.29 -0.20 0.00 1.01 0.00 0.00 58.87 59.90 2fug n SER 113 Cb 0.21 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.47 2fug n SER 113 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2fug s SER 114 N -2.50 5.01 0.00 6.43 1.04 0.04 -3.90 113.70 119.82 2fug s SER 114 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2fug s SER 114 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2fug s SER 114 CO 0.00 -1.36 0.10 0.61 0.98 0.00 0.00 173.24 173.57 2fug n GLY 115 N -2.35 0.29 7.00 7.32 0.00 0.28 -3.67 105.19 114.06 2fug n GLY 115 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2fug n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fug n GLY 116 N 0.44 2.47 1.15 -0.02 0.00 -1.26 -1.73 105.19 106.24 2fug n GLY 116 Ca 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.68 2fug n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2fug n MET 117 N 10.90 3.26 -3.92 1.61 0.00 -1.26 -4.77 117.12 122.94 2fug n MET 117 Ca 0.00 -2.94 -0.30 0.00 0.00 0.00 0.00 57.70 54.46 2fug n MET 117 Cb 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 33.22 31.14 2fug n MET 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2fug s PHE 118 N -2.86 3.04 -0.60 3.17 0.08 -0.70 -5.03 117.98 115.07 2fug s PHE 118 Ca 0.45 -3.06 -0.20 0.00 0.12 0.00 0.00 56.93 54.24 2fug s PHE 118 Cb 0.36 -2.69 0.08 0.00 -0.57 0.00 0.00 43.02 40.21 2fug s PHE 118 CO 0.10 -0.76 0.79 -0.80 -0.10 0.00 0.00 175.22 174.45 2fug s ASN 119 N -0.14 6.19 0.10 1.36 -0.87 -1.26 -4.77 114.94 115.55 2fug s ASN 119 Ca 0.17 -1.18 -0.26 0.00 -1.57 0.00 0.00 52.86 50.02 2fug s ASN 119 Cb -0.25 -2.34 0.08 0.00 -0.02 0.00 0.00 41.25 38.71 2fug s ASN 119 CO -0.00 -1.20 0.87 0.54 -2.57 0.00 0.00 177.10 174.74 2fug s ASN 120 N 3.50 -0.30 0.57 -1.22 4.22 -1.26 -5.01 114.94 115.44 2fug s ASN 120 Ca 0.16 -0.21 0.29 0.00 -2.14 0.00 0.00 52.86 50.96 2fug s ASN 120 Cb -0.21 0.48 1.47 0.00 1.28 0.00 0.00 41.25 44.27 2fug s ASN 120 CO 0.09 -0.83 1.91 0.10 -2.04 0.00 0.00 177.10 176.33 2fug h TYR 121 N 2.00 0.00 -0.21 1.54 -0.00 -2.04 -2.73 116.97 115.53 2fug h TYR 121 Ca -0.24 0.00 -0.19 0.00 -0.00 0.00 0.00 58.73 58.30 2fug h TYR 121 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 2fug h TYR 121 CO 0.32 0.00 -0.60 0.00 -0.00 0.00 0.00 178.16 177.88 2fug h ALA 122 N 1.53 0.35 -2.84 0.10 0.00 -1.95 -3.46 119.26 112.98 2fug h ALA 122 Ca 0.27 -0.53 -0.61 0.00 0.00 0.00 0.00 54.91 54.03 2fug h ALA 122 Cb 1.27 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2fug h ALA 122 CO -0.00 0.60 -0.71 0.42 0.00 0.00 0.00 179.25 179.56 2fug s ILE 123 N -3.93 3.25 0.27 0.00 1.01 -1.03 -2.37 121.20 118.40 2fug s ILE 123 Ca -0.11 -1.70 -0.29 0.00 0.00 0.00 0.00 60.65 58.55 2fug s ILE 123 Cb 0.09 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 2fug s ILE 123 CO 0.88 -0.16 1.01 -0.69 0.00 0.00 0.00 174.94 175.98 2fug s VAL 124 N -1.83 3.81 0.00 2.92 1.01 -1.02 -4.64 120.40 120.66 2fug s VAL 124 Ca 0.26 1.77 0.23 0.00 0.00 0.00 0.00 61.98 64.25 2fug s VAL 124 Cb -0.08 -4.11 0.23 0.00 0.00 0.00 0.00 36.38 32.42 2fug s VAL 124 CO 0.16 0.38 1.74 1.56 0.00 0.00 0.00 175.10 178.95 2fug h GLN 125 N 3.84 0.00 -0.92 2.72 1.08 -1.90 -3.41 115.11 116.52 2fug h GLN 125 Ca -0.46 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 56.88 2fug h GLN 125 Cb 1.21 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 2fug h GLN 125 CO 0.67 0.23 -0.08 1.21 -0.95 0.00 0.00 178.83 179.91 2fug s ASN 126 N -6.19 -1.00 0.54 1.46 3.84 -1.26 0.10 114.94 112.43 2fug s ASN 126 Ca 0.02 0.78 0.44 0.00 0.21 0.00 0.00 52.86 54.30 2fug s ASN 126 Cb 0.09 1.90 1.64 0.00 -0.55 0.00 0.00 41.25 44.33 2fug s ASN 126 CO 0.65 -0.19 1.65 0.58 -2.79 0.00 0.00 177.10 177.00 2fug h VAL 127 N 5.75 0.14 0.00 -5.21 2.07 -1.07 1.35 116.25 119.27 2fug h VAL 127 Ca -0.19 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2fug h VAL 127 Cb 1.15 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2fug h VAL 127 CO 0.12 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.04 2fug n ASP 128 N -4.10 0.00 -0.05 0.57 2.03 -1.25 -0.70 116.55 113.05 2fug n ASP 128 Ca 0.38 0.11 0.14 0.00 0.52 0.00 0.00 54.79 55.94 2fug n ASP 128 Cb 1.72 -0.16 0.59 0.00 -0.72 0.00 0.00 41.12 42.55 2fug n ASP 128 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2fug n SER 129 N -1.16 0.26 0.07 1.67 7.64 0.46 -4.41 113.62 118.15 2fug n SER 129 Ca 0.01 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2fug n SER 129 Cb 0.01 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2fug n SER 129 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2fug n VAL 130 N -1.23 0.56 -4.28 0.44 0.24 0.12 -5.05 118.33 109.13 2fug n VAL 130 Ca 0.11 0.18 -0.34 0.00 -2.04 0.00 0.00 64.34 62.26 2fug n VAL 130 Cb 0.29 -1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 31.39 2fug n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2fug s VAL 131 N -2.00 3.46 0.10 3.34 -7.23 -0.92 -5.04 120.40 112.11 2fug s VAL 131 Ca 0.00 -0.49 -0.34 0.00 -1.81 0.00 0.00 61.98 59.34 2fug s VAL 131 Cb 0.00 -2.53 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 2fug s VAL 131 CO 0.00 0.47 1.61 -2.65 -0.31 0.00 0.00 175.10 174.22 2fug n PRO 132 N 4.09 2.03 -3.84 4.82 -0.02 -1.26 -3.90 135.00 136.92 2fug n PRO 132 Ca -0.18 0.73 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 2fug n PRO 132 Cb 0.52 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 2fug n PRO 132 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2fug s VAL 133 N 1.52 5.46 -0.21 -1.45 1.01 -1.26 -4.34 120.40 121.13 2fug s VAL 133 Ca 0.82 0.25 0.08 0.00 0.00 0.00 0.00 61.98 63.13 2fug s VAL 133 Cb -0.72 -3.44 -0.18 0.00 0.00 0.00 0.00 36.38 32.04 2fug s VAL 133 CO 0.42 0.60 -0.09 0.47 0.00 0.00 0.00 175.10 176.49 2fug n ASP 134 N 1.90 1.53 -3.70 3.32 8.00 0.23 -4.96 116.55 122.87 2fug n ASP 134 Ca -0.19 -0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.09 2fug n ASP 134 Cb 0.55 0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.67 2fug n ASP 134 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fug s VAL 135 N -2.45 -0.17 -0.04 2.53 1.01 -1.11 -5.00 120.40 115.17 2fug s VAL 135 Ca -0.22 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 2fug s VAL 135 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 2fug s VAL 135 CO 0.62 0.12 0.29 -0.31 0.00 0.00 0.00 175.10 175.81 2fug s TYR 136 N 1.81 3.65 -0.24 5.22 1.51 -1.26 -1.21 117.35 126.83 2fug s TYR 136 Ca -0.02 0.75 0.01 0.00 -1.01 0.00 0.00 57.07 56.80 2fug s TYR 136 Cb -0.12 -2.11 0.06 0.00 -0.11 0.00 0.00 41.96 39.68 2fug s TYR 136 CO -0.06 0.67 -0.06 0.54 -1.11 0.00 0.00 175.55 175.53 2fug s VAL 137 N -1.11 1.64 0.00 0.71 0.11 0.24 -4.92 120.40 117.07 2fug s VAL 137 Ca 0.22 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 2fug s VAL 137 Cb -0.14 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 2fug s VAL 137 CO 0.11 -0.09 0.18 -0.81 -3.33 0.00 0.00 175.10 171.16 2fug n PRO 138 N 4.63 0.00 -2.61 1.54 -0.04 -1.26 0.22 135.00 137.48 2fug n PRO 138 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2fug n PRO 138 Cb 0.44 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2fug n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fug n GLY 139 N 2.35 3.05 0.00 0.55 0.00 -1.26 -4.86 105.19 105.01 2fug n GLY 139 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2fug n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fug s PRO 141 N 0.00 3.63 0.18 0.00 0.04 -1.26 -5.06 135.00 132.53 2fug s PRO 141 Ca 0.00 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 2fug s PRO 141 Cb 0.00 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 2fug s PRO 141 CO 0.00 0.59 1.32 -1.25 0.04 0.00 0.00 177.00 177.70 2fug s PRO 142 N -2.01 4.38 0.47 0.56 0.04 -1.26 -4.94 135.00 132.23 2fug s PRO 142 Ca 0.32 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.21 2fug s PRO 142 Cb -0.13 -3.21 -0.13 0.00 0.04 0.00 0.00 34.50 31.07 2fug s PRO 142 CO 0.19 -0.29 0.22 0.54 0.04 0.00 0.00 177.00 177.70 2fug n ARG 143 N 2.90 0.23 -0.17 4.56 1.74 -1.26 -4.69 116.66 119.96 2fug n ARG 143 Ca 0.07 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 57.18 2fug n ARG 143 Cb 0.43 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 2fug n ARG 143 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2fug h PRO 144 N 0.33 -0.18 -1.22 5.56 0.11 -1.92 0.48 132.00 135.16 2fug h PRO 144 Ca -0.40 0.01 0.36 0.00 0.11 0.00 0.00 66.00 66.08 2fug h PRO 144 Cb 1.43 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.48 2fug h PRO 144 CO 0.47 -0.12 0.81 0.93 -0.21 0.00 0.00 178.00 179.87 2fug h GLU 145 N -0.18 0.19 -0.29 1.05 3.07 -1.92 0.99 114.58 117.48 2fug h GLU 145 Ca 0.21 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.11 2fug h GLU 145 Cb 0.54 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2fug h GLU 145 CO -0.62 0.12 0.02 0.00 -1.40 0.00 0.00 179.01 177.13 2fug h ALA 146 N 1.56 0.27 -0.61 3.43 0.00 -0.31 -1.35 119.26 122.25 2fug h ALA 146 Ca 0.70 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.72 2fug h ALA 146 Cb 2.17 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 20.03 2fug h ALA 146 CO -0.30 -0.39 0.36 1.25 0.00 0.00 0.00 179.25 180.16 2fug h LEU 147 N 0.11 0.56 0.02 0.00 7.12 0.11 -1.07 115.31 122.16 2fug h LEU 147 Ca 0.14 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 2fug h LEU 147 Cb 0.17 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.20 2fug h LEU 147 CO -0.21 0.38 -0.02 0.40 -0.13 0.00 0.00 178.44 178.86 2fug h ILE 148 N 0.69 0.00 -1.36 4.05 5.03 -0.72 0.52 117.51 125.72 2fug h ILE 148 Ca 0.26 0.00 0.39 0.00 -0.12 0.00 0.00 64.86 65.39 2fug h ILE 148 Cb 0.09 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 33.82 2fug h ILE 148 CO -0.13 0.00 1.16 0.22 -0.68 0.00 0.00 178.15 178.71 2fug h TYR 149 N -0.03 0.00 0.37 1.37 5.03 -1.16 0.37 116.97 122.91 2fug h TYR 149 Ca -0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 2fug h TYR 149 Cb 0.03 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.31 2fug h TYR 149 CO -0.10 0.00 -0.18 0.00 -1.32 0.00 0.00 178.16 176.56 2fug h ALA 150 N 0.97 -0.50 -0.29 1.82 0.00 0.43 -2.40 119.26 119.29 2fug h ALA 150 Ca 0.65 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2fug h ALA 150 Cb 2.95 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 20.92 2fug h ALA 150 CO -0.01 -0.69 -0.04 -0.39 0.00 0.00 0.00 179.25 178.12 2fug h VAL 151 N -0.68 1.20 -1.00 0.00 -1.51 0.54 -1.78 116.25 113.02 2fug h VAL 151 Ca -0.05 -0.81 0.15 0.00 -1.23 0.00 0.00 66.70 64.75 2fug h VAL 151 Cb 0.48 1.02 -0.09 0.00 -2.13 0.00 0.00 31.29 30.57 2fug h VAL 151 CO 0.08 0.27 0.63 0.24 -1.23 0.00 0.00 177.57 177.56 2fug h MET 152 N 0.44 0.88 -0.28 5.19 2.07 -1.17 2.80 114.93 124.86 2fug h MET 152 Ca 0.09 -0.05 -0.15 0.00 -2.07 0.00 0.00 59.70 57.52 2fug h MET 152 Cb 0.36 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 29.88 2fug h MET 152 CO 0.02 0.58 -0.45 0.37 1.07 0.00 0.00 176.91 178.50 2fug h GLN 153 N 0.91 0.71 -0.39 1.72 5.75 -0.84 0.39 115.11 123.35 2fug h GLN 153 Ca 0.53 -0.39 -0.04 0.00 -0.15 0.00 0.00 58.65 58.60 2fug h GLN 153 Cb 0.64 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 2fug h GLN 153 CO -0.31 1.01 0.11 1.25 -2.65 0.00 0.00 178.83 178.24 2fug h LEU 154 N 0.57 0.59 0.14 -2.39 5.85 0.97 -1.47 115.31 119.56 2fug h LEU 154 Ca 0.04 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2fug h LEU 154 Cb 1.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2fug h LEU 154 CO 0.09 0.66 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.98 2fug h GLN 155 N 0.49 -0.41 0.00 1.25 4.15 0.50 -0.08 115.11 121.00 2fug h GLN 155 Ca 0.12 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2fug h GLN 155 Cb 0.29 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2fug h GLN 155 CO -0.00 -0.27 0.02 1.63 -1.93 0.00 0.00 178.83 178.28 2fug n LYS 156 N -3.90 0.00 -0.13 1.69 5.02 0.13 -2.10 118.16 118.88 2fug n LYS 156 Ca -0.05 0.29 -0.23 0.00 -2.02 0.00 0.00 58.31 56.30 2fug n LYS 156 Cb 0.21 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 2fug n LYS 156 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2fug n LYS 157 N -1.28 0.63 -0.01 1.97 4.81 -0.49 -1.51 118.16 122.27 2fug n LYS 157 Ca 0.00 0.22 0.21 0.00 -0.87 0.00 0.00 58.31 57.87 2fug n LYS 157 Cb 0.02 -1.53 0.70 0.00 0.02 0.00 0.00 35.03 34.24 2fug n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2fug h VAL 158 N -0.46 0.71 -0.13 3.15 -1.51 -0.50 0.74 116.25 118.24 2fug h VAL 158 Ca -0.62 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 64.81 2fug h VAL 158 Cb 1.76 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2fug h VAL 158 CO -0.23 0.00 -0.08 0.03 -1.23 0.00 0.00 177.57 176.06 2fug h ARG 159 N 0.00 0.29 0.00 5.19 3.08 -1.69 -3.44 114.38 117.81 2fug h ARG 159 Ca 0.27 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2fug h ARG 159 Cb 1.08 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2fug h ARG 159 CO -0.00 0.64 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 2fug n GLY 160 N 0.05 0.44 0.00 0.04 0.00 0.26 -4.84 105.19 101.14 2fug n GLY 160 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 2fug n GLY 160 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2fug n GLN 161 N -1.78 0.69 -3.64 1.61 6.02 -1.19 -4.15 117.38 114.93 2fug n GLN 161 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 2fug n GLN 161 Cb 0.00 -1.36 -0.12 0.00 1.02 0.00 0.00 30.24 29.78 2fug n GLN 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fug s ALA 162 N -2.00 2.28 -0.13 -1.58 0.00 -0.57 -5.00 121.76 114.76 2fug s ALA 162 Ca 0.24 -2.83 -0.10 0.00 0.00 0.00 0.00 51.96 49.26 2fug s ALA 162 Cb 0.11 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 2fug s ALA 162 CO 0.18 -2.05 0.21 1.52 0.00 0.00 0.00 175.76 175.63 2fug s TYR 163 N -0.18 3.54 0.00 0.00 -0.85 -1.26 -4.49 117.35 114.11 2fug s TYR 163 Ca 0.24 0.56 0.00 0.00 -0.52 0.00 0.00 57.07 57.35 2fug s TYR 163 Cb -0.10 -2.14 0.00 0.00 0.38 0.00 0.00 41.96 40.10 2fug s TYR 163 CO -0.11 0.49 0.00 0.09 -1.52 0.00 0.00 175.55 174.51 2fug n ASN 164 N 2.73 1.61 0.00 -0.18 5.03 -1.13 -4.82 115.26 118.50 2fug n ASN 164 Ca -0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.29 2fug n ASN 164 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2fug n ASN 164 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2fug n GLU 165 N -2.43 0.00 0.00 3.52 0.00 -1.26 -4.30 120.64 116.17 2fug n GLU 165 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2fug n GLU 165 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.77 2fug n GLU 165 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2fug n ARG 166 N 0.00 0.00 -0.07 5.31 0.63 -1.26 -4.39 116.66 116.87 2fug n ARG 166 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2fug n ARG 166 Cb 0.00 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 31.56 2fug n ARG 166 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fug n GLY 167 N -0.55 0.96 3.87 5.14 0.00 -1.26 -5.08 105.19 108.27 2fug n GLY 167 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2fug n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fug s GLU 168 N -0.83 3.82 -0.11 1.61 2.02 -1.26 -4.97 118.70 118.97 2fug s GLU 168 Ca 0.00 0.39 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 2fug s GLU 168 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 2fug s GLU 168 CO 0.00 0.16 1.17 1.03 0.02 0.00 0.00 175.26 177.64 2fug s ARG 169 N -3.28 4.32 -0.12 1.61 1.81 -1.26 -2.83 118.95 119.20 2fug s ARG 169 Ca 0.50 1.59 -0.15 0.00 -1.72 0.00 0.00 55.73 55.95 2fug s ARG 169 Cb -0.11 -3.62 -0.05 0.00 -0.45 0.00 0.00 34.95 30.73 2fug s ARG 169 CO 0.24 -0.52 0.36 -0.51 -0.68 0.00 0.00 175.30 174.20 2fug s LEU 170 N 2.64 4.30 0.85 2.53 1.43 -1.26 -4.96 118.68 124.21 2fug s LEU 170 Ca 0.53 0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 54.20 2fug s LEU 170 Cb -0.22 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.61 2fug s LEU 170 CO 0.18 0.11 1.11 -2.16 0.23 0.00 0.00 176.35 175.82 2fug s PRO 171 N 0.22 1.55 0.08 1.29 0.04 -1.26 -4.78 135.00 132.14 2fug s PRO 171 Ca 0.21 1.31 0.14 0.00 0.04 0.00 0.00 61.00 62.69 2fug s PRO 171 Cb -0.14 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 2fug s PRO 171 CO 0.07 -2.18 0.95 -1.35 0.04 0.00 0.00 177.00 174.53 2fug h PRO 172 N -1.53 0.00 0.00 0.56 0.11 -1.86 -3.46 132.00 125.82 2fug h PRO 172 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2fug h PRO 172 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2fug h PRO 172 CO 0.47 0.46 0.00 1.33 -0.21 0.00 0.00 178.00 180.05 2fug n VAL 173 N -3.04 0.00 -3.64 3.15 0.24 -1.26 -4.45 118.33 109.33 2fug n VAL 173 Ca -0.08 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.92 2fug n VAL 173 Cb 0.88 -0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 32.39 2fug n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2fug s ALA 174 N -2.00 1.36 0.00 2.33 0.00 -1.26 -4.99 121.76 117.20 2fug s ALA 174 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 2fug s ALA 174 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2fug s ALA 174 CO 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 175.76 173.93