#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 -2.04 116.66 118.67 2fug n ARG 16 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2fug n ARG 16 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 32.46 32.29 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 0.57 -2.13 -0.14 1.02 -1.26 -3.75 120.64 114.72 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 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.47 1.99 0.42 0.62 0.00 -0.87 -4.84 107.32 104.18 2fug s GLY 18 Ca 0.00 0.20 0.12 0.00 0.00 0.00 0.00 44.72 45.04 2fug s GLY 18 CO 0.00 0.50 1.98 -2.22 0.00 0.00 0.00 173.10 173.36 2fug h ILE 19 N 0.44 0.94 0.16 0.90 2.04 -1.90 0.07 117.51 120.16 2fug h ILE 19 Ca -0.46 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2fug h ILE 19 Cb 1.20 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2fug h ILE 19 CO 0.60 0.09 -0.08 0.25 0.00 0.00 0.00 178.15 179.01 2fug h LEU 20 N 0.49 -0.18 -0.90 1.44 5.85 -1.92 0.31 115.31 120.41 2fug h LEU 20 Ca 0.27 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.10 2fug h LEU 20 Cb 0.44 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2fug h LEU 20 CO -0.08 -0.12 0.54 0.15 -0.34 0.00 0.00 178.44 178.58 2fug h PHE 21 N -0.23 0.98 0.55 1.25 3.57 -1.76 -2.68 116.94 118.62 2fug h PHE 21 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2fug h PHE 21 Cb 0.16 -0.30 0.01 0.00 2.79 0.00 0.00 35.95 38.60 2fug h PHE 21 CO 0.18 0.40 -0.26 1.15 -2.23 0.00 0.00 178.31 177.55 2fug h THR 22 N 0.89 0.00 0.00 4.41 2.02 -0.99 -2.49 112.91 116.75 2fug h THR 22 Ca 0.43 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.58 2fug h THR 22 Cb 0.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2fug h THR 22 CO -0.25 0.00 0.20 0.74 0.37 0.00 0.00 175.52 176.59 2fug h THR 23 N -0.77 0.00 0.01 3.16 2.02 -0.89 -1.14 112.91 115.30 2fug h THR 23 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2fug h THR 23 Cb 0.57 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2fug h THR 23 CO 0.12 0.00 -0.01 0.25 0.37 0.00 0.00 175.52 176.26 2fug h LEU 24 N 0.00 -0.02 -1.12 2.58 5.85 -1.22 -2.67 115.31 118.72 2fug h LEU 24 Ca 0.00 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.93 2fug h LEU 24 Cb 0.41 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 2fug h LEU 24 CO 0.00 0.04 0.62 1.05 -0.34 0.00 0.00 178.44 179.81 2fug h GLU 25 N -0.12 0.63 -0.05 1.25 4.11 -1.05 0.71 114.58 120.06 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 0.42 -0.27 1.57 0.07 0.00 0.00 179.01 180.80 2fug h LYS 26 N 0.65 0.08 0.04 1.06 5.09 -1.36 0.62 116.57 122.76 2fug h LYS 26 Ca 0.57 -0.02 -0.26 0.00 0.09 0.00 0.00 60.65 61.03 2fug h LYS 26 Cb 1.05 -0.01 0.02 0.00 0.10 0.00 0.00 32.23 33.39 2fug h LYS 26 CO -0.35 0.35 -1.08 1.25 -2.09 0.00 0.00 179.45 177.53 2fug h LEU 27 N 0.08 0.73 0.72 7.07 5.85 0.54 -2.35 115.31 127.95 2fug h LEU 27 Ca 0.01 -0.62 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 2fug h LEU 27 Cb 0.52 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.33 2fug h LEU 27 CO 0.04 1.43 -0.34 0.58 -0.34 0.00 0.00 178.44 179.80 2fug h VAL 28 N 0.28 0.26 -0.66 1.05 2.07 0.93 -1.91 116.25 118.27 2fug h VAL 28 Ca -0.13 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.42 2fug h VAL 28 Cb 1.74 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 2fug h VAL 28 CO 0.20 0.01 0.21 0.00 0.02 0.00 0.00 177.57 178.01 2fug h ALA 29 N -0.79 0.85 -0.89 1.67 0.00 0.14 1.02 119.26 121.26 2fug h ALA 29 Ca -0.10 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2fug h ALA 29 Cb 0.75 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2fug h ALA 29 CO 0.16 -0.25 0.57 2.35 0.00 0.00 0.00 179.25 182.08 2fug h TRP 30 N 0.35 0.88 0.25 0.00 2.91 -1.27 0.49 115.95 119.56 2fug h TRP 30 Ca 0.35 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.38 2fug h TRP 30 Cb 0.51 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 2fug h TRP 30 CO -0.21 0.35 -0.12 0.78 -1.03 0.00 0.00 178.44 178.22 2fug h GLY 31 N 0.77 -0.35 1.42 2.65 0.00 0.17 -2.42 103.07 105.31 2fug h GLY 31 Ca 0.44 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2fug h GLY 31 CO -0.20 -0.13 0.14 -2.13 0.00 0.00 0.00 176.54 174.22 2fug n ARG 32 N -3.02 0.00 -0.20 4.80 0.63 0.60 -0.41 116.66 119.06 2fug n ARG 32 Ca -0.04 0.35 -0.05 0.00 -0.92 0.00 0.00 57.85 57.19 2fug n ARG 32 Cb 0.13 -1.64 0.12 0.00 0.45 0.00 0.00 32.46 31.52 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 0.94 -0.01 6.15 0.87 0.50 -3.15 113.55 118.85 2fug h SER 33 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2fug h SER 33 Cb 0.28 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2fug h SER 33 CO 0.00 0.89 -0.45 0.59 -0.53 0.00 0.00 176.83 177.34 2fug n ASN 34 N -4.26 1.84 -2.03 6.23 4.13 0.45 -4.21 115.26 117.41 2fug n ASN 34 Ca 0.05 -1.42 -0.22 0.00 1.68 0.00 0.00 54.58 54.67 2fug n ASN 34 Cb 0.23 0.50 0.10 0.00 -1.54 0.00 0.00 39.78 39.07 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 -0.12 5.34 -4.70 6.41 3.41 -1.19 -4.93 113.62 117.85 2fug n SER 35 Ca 0.08 -3.34 -0.42 0.00 -0.26 0.00 0.00 58.87 54.93 2fug n SER 35 Cb 0.42 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.71 4.30 -0.69 1.04 1.43 -1.25 -5.00 118.68 115.79 2fug s LEU 36 Ca 0.46 1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 55.02 2fug s LEU 36 Cb 0.38 -3.43 0.17 0.00 0.03 0.00 0.00 46.19 43.34 2fug s LEU 36 CO 0.04 -0.31 0.51 0.86 0.23 0.00 0.00 176.35 177.68 2fug s TRP 37 N 1.42 3.51 -0.24 0.29 -0.00 -1.26 -5.06 118.94 117.61 2fug s TRP 37 Ca 0.46 -2.91 -0.38 0.00 -0.00 0.00 0.00 56.10 53.28 2fug s TRP 37 Cb -0.19 -3.12 -0.14 0.00 -0.00 0.00 0.00 33.47 30.02 2fug s TRP 37 CO 0.21 -0.77 1.86 -2.30 -0.00 0.00 0.00 176.95 175.95 2fug n PRO 38 N 3.00 1.46 -3.55 5.86 -0.02 -1.26 -3.34 135.00 137.14 2fug n PRO 38 Ca 0.12 0.52 -0.27 0.00 -2.02 0.00 0.00 63.50 61.85 2fug n PRO 38 Cb 0.37 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 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 6.51 3.80 -1.57 3.55 0.00 -0.92 -4.99 120.51 126.89 2fug n ALA 39 Ca 0.28 -4.62 -0.47 0.00 0.00 0.00 0.00 53.44 48.63 2fug n ALA 39 Cb 0.19 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 1.23 1.46 -3.20 0.00 5.66 -1.26 -3.54 114.28 114.63 2fug n THR 40 Ca 0.27 -0.36 -0.24 0.00 -3.05 0.00 0.00 64.05 60.67 2fug n THR 40 Cb 0.40 -0.84 -0.06 0.00 -1.55 0.00 0.00 70.33 68.29 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 0.82 1.47 -1.73 1.09 7.35 0.84 -4.86 117.46 122.44 2fug n PHE 41 Ca 0.13 -3.84 -0.31 0.00 -0.76 0.00 0.00 57.45 52.67 2fug n PHE 41 Cb 0.28 -0.44 0.03 0.00 0.35 0.00 0.00 39.48 39.70 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 -2.20 1.74 0.00 7.13 0.00 -1.26 -3.43 107.32 109.30 2fug s GLY 42 Ca 0.40 0.09 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2fug s GLY 42 CO -0.08 0.39 0.00 1.04 0.00 0.00 0.00 173.10 174.44 2fug n LEU 43 N -2.85 0.00 0.00 0.66 4.77 0.11 -4.90 117.00 114.79 2fug n LEU 43 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 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 0.55 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.61 2fug n ALA 44 N -3.00 0.00 -0.31 -1.18 0.00 -1.26 -4.60 120.51 110.16 2fug n ALA 44 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2fug n ALA 44 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 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 1.60 2.17 0.25 0.00 0.00 -0.98 -0.48 119.26 121.82 2fug h ALA 47 Ca 0.50 0.16 -0.33 0.00 0.00 0.00 0.00 54.91 55.24 2fug h ALA 47 Cb 0.76 0.16 0.04 0.00 0.00 0.00 0.00 17.79 18.75 2fug h ALA 47 CO -0.39 -0.77 -1.44 0.82 0.00 0.00 0.00 179.25 177.47 2fug h ILE 48 N 0.26 1.29 0.00 0.00 5.03 -1.27 -3.27 117.51 119.56 2fug h ILE 48 Ca 0.74 -2.68 0.00 0.00 -0.12 0.00 0.00 64.86 62.80 2fug h ILE 48 Cb 1.88 3.06 0.00 0.00 -3.03 0.00 0.00 36.82 38.73 2fug h ILE 48 CO -0.54 0.80 0.00 1.21 -0.68 0.00 0.00 178.15 178.94 2fug n GLU 49 N -3.75 0.08 0.00 2.37 4.07 -0.33 -2.18 120.64 120.90 2fug n GLU 49 Ca -0.17 0.18 0.12 0.00 -0.06 0.00 0.00 57.16 57.23 2fug n GLU 49 Cb 1.08 -1.62 0.20 0.00 -0.06 0.00 0.00 31.44 31.05 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 -1.77 0.22 0.05 5.31 0.00 -0.40 -3.72 117.12 116.81 2fug n MET 50 Ca 0.05 -0.14 0.13 0.00 0.00 0.00 0.00 57.70 57.74 2fug n MET 50 Cb 0.29 -1.50 0.49 0.00 0.00 0.00 0.00 33.22 32.51 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 -1.27 0.13 -0.23 3.17 2.81 -0.93 -3.13 117.12 117.67 2fug n MET 51 Ca 0.07 0.10 0.03 0.00 -1.81 0.00 0.00 57.70 56.08 2fug n MET 51 Cb 0.34 -1.64 0.13 0.00 -0.71 0.00 0.00 33.22 31.34 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 -1.64 2.76 0.36 3.04 0.00 -1.24 -2.70 120.51 121.09 2fug n ALA 52 Ca 0.06 -0.57 0.05 0.00 0.00 0.00 0.00 53.44 52.98 2fug n ALA 52 Cb 0.38 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 0.23 1.85 -3.51 0.00 7.64 -1.18 -4.69 113.62 113.94 2fug n SER 53 Ca 0.09 -1.43 -0.40 0.00 1.01 0.00 0.00 58.87 58.14 2fug n SER 53 Cb 0.42 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.52 5.64 -3.48 0.44 -1.04 -1.10 -4.92 114.28 110.35 2fug n THR 54 Ca 0.06 -5.36 -0.42 0.00 -2.04 0.00 0.00 64.05 56.28 2fug n THR 54 Cb 0.25 -1.66 -0.08 0.00 -1.82 0.00 0.00 70.33 67.02 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 -0.84 5.87 0.00 8.00 2.15 -1.26 -5.13 116.67 125.45 2fug s ASP 55 Ca 0.44 -1.69 0.00 0.00 0.43 0.00 0.00 52.55 51.73 2fug s ASP 55 Cb 0.21 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.75 2fug s ASP 55 CO -0.15 -0.69 0.00 0.00 -0.17 0.00 0.00 175.17 174.17 2fug n ALA 56 N 5.04 0.00 0.00 3.66 0.00 -1.26 -5.24 120.51 122.70 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 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.92 0.00 1.13 -1.26 -5.32 117.38 108.01 2fug n GLN 74 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 2fug n GLN 74 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 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 0.08 0.28 -1.58 0.00 -1.26 -5.00 121.76 114.28 2fug s ALA 75 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2fug s ALA 75 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2fug s ALA 75 CO 0.00 -0.02 0.15 0.16 0.00 0.00 0.00 175.76 176.04 2fug s ASP 76 N -0.34 1.32 -0.47 0.00 -4.77 -1.21 -4.47 116.67 106.73 2fug s ASP 76 Ca -0.03 -1.51 -0.19 0.00 -3.30 0.00 0.00 52.55 47.52 2fug s ASP 76 Cb -0.02 0.34 0.03 0.00 -1.09 0.00 0.00 42.92 42.18 2fug s ASP 76 CO -0.00 -0.85 0.62 0.52 0.70 0.00 0.00 175.17 176.16 2fug n VAL 77 N -0.53 -9.36 -3.37 2.11 0.31 -1.25 -3.89 118.33 102.35 2fug n VAL 77 Ca 0.01 0.60 -0.38 0.00 -0.01 0.00 0.00 64.34 64.56 2fug n VAL 77 Cb 0.65 -6.39 -0.06 0.00 -0.91 0.00 0.00 33.84 27.13 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 -2.68 4.31 -0.29 5.55 0.23 -0.40 -2.16 119.30 123.87 2fug s MET 78 Ca 0.25 0.35 -0.12 0.00 -1.03 0.00 0.00 55.69 55.13 2fug s MET 78 Cb -0.06 -3.44 -0.04 0.00 -1.53 0.00 0.00 34.83 29.76 2fug s MET 78 CO 0.79 0.16 0.25 0.42 -2.03 0.00 0.00 175.02 174.61 2fug s ILE 79 N 0.64 5.27 -0.46 3.16 1.01 -1.23 -2.84 121.20 126.74 2fug s ILE 79 Ca 0.23 0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 2fug s ILE 79 Cb -0.15 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.76 2fug s ILE 79 CO 0.09 0.18 0.60 -0.69 0.00 0.00 0.00 174.94 175.12 2fug s VAL 80 N 1.84 4.88 -0.54 2.92 1.01 -0.65 -0.11 120.40 129.75 2fug s VAL 80 Ca 0.09 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2fug s VAL 80 Cb -0.16 -4.21 0.14 0.00 0.00 0.00 0.00 36.38 32.14 2fug s VAL 80 CO 0.11 -0.65 0.29 0.00 0.00 0.00 0.00 175.10 174.86 2fug s ALA 81 N 2.65 3.26 0.00 5.51 0.00 -1.22 0.20 121.76 132.16 2fug s ALA 81 Ca 0.18 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 48.85 2fug s ALA 81 Cb -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.83 2fug s ALA 81 CO 0.16 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.29 2fug n GLY 82 N 2.97 -0.82 3.62 0.00 0.00 -1.26 -0.71 105.19 108.99 2fug n GLY 82 Ca 0.08 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 2fug n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fug s ARG 83 N -1.47 3.79 -0.90 1.61 0.52 -1.26 -2.98 118.95 118.27 2fug s ARG 83 Ca 0.00 1.31 -0.22 0.00 -0.52 0.00 0.00 55.73 56.29 2fug s ARG 83 Cb 0.00 -3.96 0.07 0.00 0.52 0.00 0.00 34.95 31.58 2fug s ARG 83 CO 0.00 -1.28 1.27 -1.17 0.02 0.00 0.00 175.30 174.14 2fug s LEU 84 N 4.90 3.99 0.85 2.53 1.98 -1.26 -4.76 118.68 126.90 2fug s LEU 84 Ca 0.62 -1.39 -0.12 0.00 -2.89 0.00 0.00 54.13 50.35 2fug s LEU 84 Cb -0.19 -2.50 0.11 0.00 0.66 0.00 0.00 46.19 44.27 2fug s LEU 84 CO 0.27 -1.43 1.19 -0.55 -1.89 0.00 0.00 176.35 173.93 2fug s SER 85 N 4.23 3.33 0.36 3.68 0.15 -1.26 -1.94 113.70 122.25 2fug s SER 85 Ca 0.37 2.31 0.18 0.00 0.70 0.00 0.00 55.95 59.51 2fug s SER 85 Cb -0.05 -2.58 0.63 0.00 -1.71 0.00 0.00 66.02 62.31 2fug s SER 85 CO -0.03 -2.84 1.72 0.11 1.20 0.00 0.00 173.24 173.39 2fug h LYS 86 N -1.27 0.00 -0.02 5.44 1.57 -1.74 0.98 116.57 121.53 2fug h LYS 86 Ca -0.45 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.21 2fug h LYS 86 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2fug h LYS 86 CO 0.44 0.40 -0.55 -0.22 -0.57 0.00 0.00 179.45 178.95 2fug h LYS 87 N 0.00 0.05 0.05 3.15 3.64 -1.91 -2.81 116.57 118.74 2fug h LYS 87 Ca -0.00 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 2fug h LYS 87 Cb 0.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2fug h LYS 87 CO 0.05 0.59 -1.13 1.98 -2.27 0.00 0.00 179.45 178.67 2fug h MET 88 N 0.04 0.10 0.00 1.90 4.05 -1.75 -3.40 114.93 115.87 2fug h MET 88 Ca -0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2fug h MET 88 Cb 0.99 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2fug h MET 88 CO 0.07 1.05 0.00 0.00 0.23 0.00 0.00 176.91 178.27 2fug n ALA 89 N -2.43 0.00 -0.38 0.39 0.00 0.28 -0.65 120.51 117.72 2fug n ALA 89 Ca -0.04 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.75 2fug n ALA 89 Cb 0.98 0.41 0.69 0.00 0.00 0.00 0.00 19.45 21.53 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 0.10 0.37 0.00 0.13 -1.77 -2.18 132.00 128.66 2fug h PRO 90 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2fug h PRO 90 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2fug h PRO 90 CO 0.00 0.06 -0.18 0.28 -0.23 0.00 0.00 178.00 177.93 2fug h VAL 91 N 0.10 0.55 -0.99 1.56 2.07 -1.12 -2.47 116.25 115.95 2fug h VAL 91 Ca 0.65 -0.56 0.19 0.00 0.82 0.00 0.00 66.70 67.80 2fug h VAL 91 Cb 2.31 0.80 -0.11 0.00 -1.52 0.00 0.00 31.29 32.77 2fug h VAL 91 CO -0.12 0.09 0.58 -0.03 0.02 0.00 0.00 177.57 178.11 2fug h MET 92 N -0.86 0.69 0.03 1.57 1.85 -1.06 -0.54 114.93 116.62 2fug h MET 92 Ca -0.05 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 2fug h MET 92 Cb 0.54 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 32.41 2fug h MET 92 CO 0.08 0.46 -0.06 -0.09 -0.40 0.00 0.00 176.91 176.91 2fug h ARG 93 N 0.71 -0.09 -1.27 0.39 9.65 -1.35 -0.01 114.38 122.42 2fug h ARG 93 Ca 0.58 0.01 0.37 0.00 -1.10 0.00 0.00 59.98 59.83 2fug h ARG 93 Cb 0.92 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.46 2fug h ARG 93 CO -0.40 -0.06 0.90 0.00 2.80 0.00 0.00 179.97 183.21 2fug h ARG 94 N -0.09 0.06 0.00 0.20 3.08 -0.88 1.60 114.38 118.36 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 0.08 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2fug h ARG 94 CO -0.02 0.04 -0.10 0.28 -1.07 0.00 0.00 179.97 179.10 2fug h VAL 95 N 0.07 0.20 0.00 2.04 2.07 -0.22 -2.87 116.25 117.53 2fug h VAL 95 Ca 0.63 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2fug h VAL 95 Cb 2.36 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 2fug h VAL 95 CO -0.08 0.10 -0.32 -0.25 0.02 0.00 0.00 177.57 177.04 2fug h TRP 96 N 0.00 0.00 -1.06 1.57 7.01 0.41 -3.34 115.95 120.55 2fug h TRP 96 Ca -0.00 0.00 0.29 0.00 2.11 0.00 0.00 58.89 61.29 2fug h TRP 96 Cb 0.90 0.00 -0.11 0.00 -2.10 0.00 0.00 29.16 27.85 2fug h TRP 96 CO 0.00 0.51 0.66 0.93 -2.79 0.00 0.00 178.44 177.75 2fug h GLU 97 N -1.00 0.39 -1.94 2.65 5.08 -1.16 -0.87 114.58 117.73 2fug h GLU 97 Ca -0.06 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 2fug h GLU 97 Cb 0.59 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2fug h GLU 97 CO -0.04 0.26 -0.05 0.94 -1.00 0.00 0.00 179.01 179.12 2fug n GLN 98 N -4.75 1.66 -4.27 2.33 7.27 -1.08 -4.81 117.38 113.72 2fug n GLN 98 Ca 0.28 -0.87 -0.15 0.00 0.07 0.00 0.00 57.00 56.33 2fug n GLN 98 Cb 0.92 -1.61 -0.10 0.00 2.41 0.00 0.00 30.24 31.86 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 -0.05 1.13 0.08 3.69 -1.94 -0.33 -4.99 119.30 116.89 2fug s MET 99 Ca 0.37 -1.50 -0.31 0.00 -1.71 0.00 0.00 55.69 52.54 2fug s MET 99 Cb 0.20 -0.64 -0.06 0.00 2.01 0.00 0.00 34.83 36.34 2fug s MET 99 CO -0.03 0.04 1.24 -1.25 -0.01 0.00 0.00 175.02 175.02 2fug s PRO 100 N -3.77 4.41 0.23 2.03 0.04 -1.26 -4.93 135.00 131.75 2fug s PRO 100 Ca 0.19 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2fug s PRO 100 Cb 0.03 -3.32 0.55 0.00 0.04 0.00 0.00 34.50 31.80 2fug s PRO 100 CO 0.02 -0.28 1.20 -3.47 0.04 0.00 0.00 177.00 174.51 2fug n ASP 101 N 3.82 -0.12 -4.31 6.66 -0.08 -1.26 -3.31 116.55 117.96 2fug n ASP 101 Ca 0.09 1.30 -0.36 0.00 -1.51 0.00 0.00 54.79 54.31 2fug n ASP 101 Cb 0.45 -0.46 -0.04 0.00 2.34 0.00 0.00 41.12 43.41 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 -5.09 2.08 -4.53 -0.67 -0.02 -1.26 -4.84 135.00 120.67 2fug n PRO 102 Ca 0.17 -2.55 -0.25 0.00 -2.02 0.00 0.00 63.50 58.84 2fug n PRO 102 Cb 0.56 -3.47 -0.09 0.00 -0.02 0.00 0.00 33.50 30.48 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 5.33 1.89 0.23 -0.52 -2.85 -1.21 -4.76 119.74 117.84 2fug s LYS 103 Ca 0.61 -2.13 -0.09 0.00 -1.00 0.00 0.00 55.97 53.35 2fug s LYS 103 Cb 0.05 -0.81 -0.01 0.00 -2.06 0.00 0.00 37.83 35.00 2fug s LYS 103 CO 0.10 -0.38 0.37 -1.58 0.10 0.00 0.00 175.35 173.96 2fug s TRP 104 N -3.19 0.57 -0.03 1.78 0.51 -1.26 -4.61 118.94 112.71 2fug s TRP 104 Ca 0.25 -0.90 -0.01 0.00 -2.12 0.00 0.00 56.10 53.33 2fug s TRP 104 Cb 0.04 -0.03 0.03 0.00 -0.81 0.00 0.00 33.47 32.71 2fug s TRP 104 CO 0.13 -0.88 0.04 0.08 -0.51 0.00 0.00 176.95 175.81 2fug s VAL 105 N -4.05 -0.06 -0.09 4.03 1.01 -1.26 -1.27 120.40 118.71 2fug s VAL 105 Ca 0.26 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2fug s VAL 105 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.28 2fug s VAL 105 CO 0.09 0.12 -0.24 -0.63 0.00 0.00 0.00 175.10 174.44 2fug s ILE 106 N 1.42 2.06 -0.34 2.22 1.01 -1.13 -0.22 121.20 126.22 2fug s ILE 106 Ca -0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 60.65 59.45 2fug s ILE 106 Cb -0.13 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2fug s ILE 106 CO -0.03 0.56 0.24 -0.94 0.00 0.00 0.00 174.94 174.77 2fug s SER 107 N 0.22 6.04 -0.10 3.58 1.04 -0.17 -1.63 113.70 122.67 2fug s SER 107 Ca -0.15 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 55.53 2fug s SER 107 Cb -0.17 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 2fug s SER 107 CO 0.08 -0.24 1.00 -0.32 0.98 0.00 0.00 173.24 174.73 2fug s MET 108 N 1.72 4.43 0.25 4.02 1.75 0.13 -0.72 119.30 130.87 2fug s MET 108 Ca 0.06 1.38 0.00 0.00 -1.25 0.00 0.00 55.69 55.88 2fug s MET 108 Cb -0.17 -3.54 0.00 0.00 2.84 0.00 0.00 34.83 33.96 2fug s MET 108 CO 0.10 -0.30 0.00 0.41 -0.65 0.00 0.00 175.02 174.58 2fug n GLY 109 N 3.09 -1.35 0.00 2.11 0.00 0.13 -4.12 105.19 105.05 2fug n GLY 109 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.07 0.00 0.00 4.61 0.00 -0.27 -1.68 120.51 121.10 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 0.61 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 -1.14 -3.00 0.00 0.00 -1.50 -3.37 119.26 110.25 2fug h ALA 112 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2fug h ALA 112 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2fug h ALA 112 CO 0.00 -1.06 0.00 0.43 0.00 0.00 0.00 179.25 178.62 2fug n SER 113 N -5.51 0.00 -4.98 0.00 7.64 0.51 -1.24 113.62 110.03 2fug n SER 113 Ca -0.14 0.46 -0.20 0.00 1.01 0.00 0.00 58.87 60.00 2fug n SER 113 Cb 0.45 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.41 5.05 0.00 6.43 1.04 0.25 -3.95 113.70 120.11 2fug s SER 114 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2fug s SER 114 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2fug s SER 114 CO 0.00 -1.36 0.13 0.61 0.98 0.00 0.00 173.24 173.59 2fug n GLY 115 N -2.29 0.37 7.00 7.32 0.00 0.34 -3.62 105.19 114.30 2fug n GLY 115 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.36 1.69 1.58 -0.02 0.00 -1.26 -1.64 105.19 105.90 2fug n GLY 116 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 5.32 3.31 -3.83 1.61 0.00 -1.26 -4.74 117.12 117.53 2fug n MET 117 Ca 0.00 -3.05 -0.30 0.00 0.00 0.00 0.00 57.70 54.35 2fug n MET 117 Cb 0.00 -2.07 -0.14 0.00 0.00 0.00 0.00 33.22 31.02 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 -2.98 2.57 -0.74 3.17 0.08 -0.65 -5.03 117.98 114.38 2fug s PHE 118 Ca 0.50 -2.76 -0.19 0.00 0.12 0.00 0.00 56.93 54.60 2fug s PHE 118 Cb 0.41 -2.34 0.12 0.00 -0.57 0.00 0.00 43.02 40.65 2fug s PHE 118 CO 0.10 -0.77 0.90 -0.80 -0.10 0.00 0.00 175.22 174.55 2fug s ASN 119 N 0.11 6.40 0.21 1.36 -0.87 -1.26 -4.78 114.94 116.12 2fug s ASN 119 Ca 0.17 -1.72 -0.23 0.00 -1.57 0.00 0.00 52.86 49.51 2fug s ASN 119 Cb -0.25 -2.34 0.04 0.00 -0.02 0.00 0.00 41.25 38.68 2fug s ASN 119 CO -0.01 -1.09 0.77 0.54 -2.57 0.00 0.00 177.10 174.75 2fug s ASN 120 N 3.45 -0.29 0.55 -1.22 4.22 -1.26 -5.01 114.94 115.38 2fug s ASN 120 Ca 0.21 -0.43 0.28 0.00 -2.14 0.00 0.00 52.86 50.77 2fug s ASN 120 Cb -0.15 0.63 1.45 0.00 1.28 0.00 0.00 41.25 44.47 2fug s ASN 120 CO -0.00 -1.14 1.96 0.10 -2.04 0.00 0.00 177.10 175.98 2fug h TYR 121 N 2.00 0.00 -0.29 1.54 -0.00 -2.04 -3.03 116.97 115.15 2fug h TYR 121 Ca -0.23 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.38 2fug h TYR 121 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.98 2fug h TYR 121 CO 0.38 0.00 -0.31 0.00 -0.00 0.00 0.00 178.16 178.23 2fug h ALA 122 N 1.64 0.42 -2.53 0.10 0.00 -1.95 -3.46 119.26 113.49 2fug h ALA 122 Ca 0.27 -0.41 -0.59 0.00 0.00 0.00 0.00 54.91 54.17 2fug h ALA 122 Cb 1.15 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 2fug h ALA 122 CO -0.00 0.46 -0.69 0.42 0.00 0.00 0.00 179.25 179.43 2fug s ILE 123 N -4.32 3.24 0.25 0.00 1.01 -1.15 -2.07 121.20 118.15 2fug s ILE 123 Ca -0.12 -1.86 -0.29 0.00 0.00 0.00 0.00 60.65 58.38 2fug s ILE 123 Cb 0.09 -2.68 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 2fug s ILE 123 CO 0.83 -0.27 0.93 -0.69 0.00 0.00 0.00 174.94 175.74 2fug s VAL 124 N -2.09 4.12 0.18 2.92 1.01 -0.82 -4.63 120.40 121.09 2fug s VAL 124 Ca 0.29 2.01 0.21 0.00 0.00 0.00 0.00 61.98 64.48 2fug s VAL 124 Cb -0.07 -4.26 0.18 0.00 0.00 0.00 0.00 36.38 32.23 2fug s VAL 124 CO 0.17 0.44 1.79 1.56 0.00 0.00 0.00 175.10 179.07 2fug h GLN 125 N 3.99 0.00 -1.22 2.72 1.08 -1.90 -3.41 115.11 116.36 2fug h GLN 125 Ca -0.45 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 56.86 2fug h GLN 125 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 2fug h GLN 125 CO 0.67 0.30 -0.13 1.21 -0.95 0.00 0.00 178.83 179.94 2fug s ASN 126 N -6.35 -1.12 0.55 1.46 3.84 -1.26 0.13 114.94 112.19 2fug s ASN 126 Ca -0.00 1.01 0.41 0.00 0.21 0.00 0.00 52.86 54.49 2fug s ASN 126 Cb 0.11 2.07 1.60 0.00 -0.55 0.00 0.00 41.25 44.48 2fug s ASN 126 CO 0.66 -0.21 1.72 0.58 -2.79 0.00 0.00 177.10 177.06 2fug h VAL 127 N 5.87 0.26 0.00 -5.21 2.07 -1.30 1.60 116.25 119.54 2fug h VAL 127 Ca -0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2fug h VAL 127 Cb 1.14 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2fug h VAL 127 CO 0.15 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.07 2fug n ASP 128 N -4.06 0.00 -0.05 0.57 2.03 -1.25 -0.39 116.55 113.39 2fug n ASP 128 Ca 0.32 -0.15 0.13 0.00 0.52 0.00 0.00 54.79 55.61 2fug n ASP 128 Cb 1.51 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 42.30 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 -0.93 0.46 0.05 1.67 7.64 0.55 -4.51 113.62 118.54 2fug n SER 129 Ca 0.03 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2fug n SER 129 Cb 0.01 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.31 0.41 -4.36 0.44 0.24 0.47 -5.05 118.33 109.17 2fug n VAL 130 Ca 0.08 0.13 -0.34 0.00 -2.04 0.00 0.00 64.34 62.18 2fug n VAL 130 Cb 0.33 -1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 31.42 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 3.25 0.11 3.34 -7.23 -0.92 -5.03 120.40 111.93 2fug s VAL 131 Ca 0.00 -0.57 -0.34 0.00 -1.81 0.00 0.00 61.98 59.26 2fug s VAL 131 Cb 0.00 -2.42 -0.14 0.00 0.56 0.00 0.00 36.38 34.38 2fug s VAL 131 CO 0.00 0.48 1.62 -2.65 -0.31 0.00 0.00 175.10 174.25 2fug n PRO 132 N 4.06 2.12 -3.82 4.82 -0.02 -1.26 -3.92 135.00 136.98 2fug n PRO 132 Ca -0.18 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 2fug n PRO 132 Cb 0.52 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.46 5.42 -0.21 -1.45 1.01 -1.26 -4.28 120.40 121.09 2fug s VAL 133 Ca 0.81 0.29 0.09 0.00 0.00 0.00 0.00 61.98 63.17 2fug s VAL 133 Cb -0.69 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 2fug s VAL 133 CO 0.41 0.59 -0.07 0.47 0.00 0.00 0.00 175.10 176.49 2fug n ASP 134 N 1.86 1.37 -3.70 3.32 8.00 0.70 -4.95 116.55 123.15 2fug n ASP 134 Ca -0.18 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.11 2fug n ASP 134 Cb 0.54 0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 41.78 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 -0.21 -0.08 2.53 1.01 -1.09 -5.00 120.40 115.12 2fug s VAL 135 Ca -0.20 0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2fug s VAL 135 Cb 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 2fug s VAL 135 CO 0.64 0.11 0.29 -0.31 0.00 0.00 0.00 175.10 175.83 2fug s TYR 136 N 1.88 3.62 -0.25 5.22 1.51 -1.26 -1.00 117.35 127.08 2fug s TYR 136 Ca -0.02 0.74 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2fug s TYR 136 Cb -0.12 -2.18 0.06 0.00 -0.11 0.00 0.00 41.96 39.61 2fug s TYR 136 CO -0.07 0.58 -0.11 0.54 -1.11 0.00 0.00 175.55 175.38 2fug s VAL 137 N -0.69 2.03 0.00 0.71 0.11 0.10 -4.92 120.40 117.73 2fug s VAL 137 Ca 0.19 -1.47 -0.01 0.00 -2.93 0.00 0.00 61.98 57.76 2fug s VAL 137 Cb -0.14 -2.13 -0.03 0.00 -1.53 0.00 0.00 36.38 32.54 2fug s VAL 137 CO 0.08 0.02 0.88 -0.81 -3.33 0.00 0.00 175.10 171.94 2fug n PRO 138 N 4.50 0.25 -3.67 1.54 -0.04 -1.26 0.17 135.00 136.49 2fug n PRO 138 Ca -0.14 -0.12 -0.23 0.00 -0.04 0.00 0.00 63.50 62.96 2fug n PRO 138 Cb 0.43 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.92 3.10 0.00 0.55 0.00 -1.26 -4.87 105.19 105.63 2fug n GLY 139 Ca 0.05 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 3.67 0.19 0.00 0.04 -1.26 -5.07 135.00 132.58 2fug s PRO 141 Ca 0.00 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 60.79 2fug s PRO 141 Cb 0.00 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.43 2fug s PRO 141 CO 0.00 0.59 1.33 -1.25 0.04 0.00 0.00 177.00 177.71 2fug s PRO 142 N -1.88 4.37 0.52 0.56 0.04 -1.26 -4.94 135.00 132.41 2fug s PRO 142 Ca 0.31 2.08 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2fug s PRO 142 Cb -0.14 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 2fug s PRO 142 CO 0.18 -0.29 0.09 0.54 0.04 0.00 0.00 177.00 177.57 2fug n ARG 143 N 2.74 0.16 -0.12 4.56 1.74 -1.26 -4.68 116.66 119.80 2fug n ARG 143 Ca 0.07 0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 57.10 2fug n ARG 143 Cb 0.43 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.10 -0.35 -1.47 5.56 0.11 -1.92 0.54 132.00 134.57 2fug h PRO 144 Ca -0.42 0.02 0.46 0.00 0.11 0.00 0.00 66.00 66.17 2fug h PRO 144 Cb 1.43 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.52 2fug h PRO 144 CO 0.44 -0.24 1.00 0.93 -0.21 0.00 0.00 178.00 179.92 2fug h GLU 145 N -0.37 0.06 -0.33 1.05 3.07 -1.92 1.47 114.58 117.62 2fug h GLU 145 Ca 0.11 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.00 2fug h GLU 145 Cb 0.60 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.46 2fug h GLU 145 CO -0.57 0.04 0.14 0.00 -1.40 0.00 0.00 179.01 177.22 2fug h ALA 146 N 1.43 0.39 -0.88 3.43 0.00 -0.18 -1.88 119.26 121.57 2fug h ALA 146 Ca 0.82 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.76 2fug h ALA 146 Cb 2.82 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.55 2fug h ALA 146 CO -0.27 -0.25 0.58 1.25 0.00 0.00 0.00 179.25 180.57 2fug h LEU 147 N 0.29 1.01 0.22 0.00 7.12 0.22 -1.53 115.31 122.65 2fug h LEU 147 Ca 0.14 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 2fug h LEU 147 Cb 0.09 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 39.96 2fug h LEU 147 CO -0.12 0.74 -0.17 0.40 -0.13 0.00 0.00 178.44 179.15 2fug h ILE 148 N 1.20 0.00 -0.93 4.05 5.03 -0.92 -0.21 117.51 125.72 2fug h ILE 148 Ca 0.32 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 65.33 2fug h ILE 148 Cb -0.14 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.62 2fug h ILE 148 CO -0.07 0.00 0.92 0.22 -0.68 0.00 0.00 178.15 178.54 2fug h TYR 149 N -0.38 0.00 0.13 1.37 5.03 -1.30 0.52 116.97 122.34 2fug h TYR 149 Ca -0.03 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 2fug h TYR 149 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.60 2fug h TYR 149 CO -0.05 0.00 -0.06 0.00 -1.32 0.00 0.00 178.16 176.72 2fug h ALA 150 N 1.03 -0.18 -0.28 1.82 0.00 0.01 -2.43 119.26 119.23 2fug h ALA 150 Ca 0.44 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2fug h ALA 150 Cb 2.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 20.12 2fug h ALA 150 CO -0.00 -0.48 -0.18 -0.39 0.00 0.00 0.00 179.25 178.20 2fug h VAL 151 N -0.42 1.25 -0.96 0.00 -1.51 0.88 -1.88 116.25 113.61 2fug h VAL 151 Ca -0.02 -1.13 0.15 0.00 -1.23 0.00 0.00 66.70 64.47 2fug h VAL 151 Cb 0.34 1.23 -0.09 0.00 -2.13 0.00 0.00 31.29 30.63 2fug h VAL 151 CO 0.03 0.37 0.58 0.24 -1.23 0.00 0.00 177.57 177.55 2fug h MET 152 N 0.46 0.80 -0.26 5.19 2.07 -1.12 2.18 114.93 124.24 2fug h MET 152 Ca 0.08 -0.05 -0.14 0.00 -2.07 0.00 0.00 59.70 57.52 2fug h MET 152 Cb 0.57 -0.18 -0.01 0.00 -1.87 0.00 0.00 31.60 30.11 2fug h MET 152 CO 0.04 0.53 -0.41 0.37 1.07 0.00 0.00 176.91 178.51 2fug h GLN 153 N 0.83 0.64 -0.32 1.72 5.75 -0.90 0.45 115.11 123.29 2fug h GLN 153 Ca 0.51 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2fug h GLN 153 Cb 0.66 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 2fug h GLN 153 CO -0.33 0.93 0.10 1.25 -2.65 0.00 0.00 178.83 178.13 2fug h LEU 154 N 0.52 0.46 0.23 -2.39 5.85 0.52 -1.93 115.31 118.57 2fug h LEU 154 Ca 0.04 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2fug h LEU 154 Cb 0.93 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2fug h LEU 154 CO 0.08 0.54 -0.36 -0.61 -0.34 0.00 0.00 178.44 177.76 2fug h GLN 155 N 0.35 -0.60 0.00 1.25 4.15 0.38 0.37 115.11 121.00 2fug h GLN 155 Ca 0.10 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2fug h GLN 155 Cb 0.25 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2fug h GLN 155 CO -0.00 -0.40 0.00 1.63 -1.93 0.00 0.00 178.83 178.13 2fug n LYS 156 N -4.53 0.05 -0.12 1.69 5.02 0.15 -2.23 118.16 118.20 2fug n LYS 156 Ca -0.07 0.19 -0.18 0.00 -2.02 0.00 0.00 58.31 56.23 2fug n LYS 156 Cb 0.31 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.21 0.56 0.03 1.97 4.81 -0.55 -1.49 118.16 122.28 2fug n LYS 157 Ca 0.01 0.15 0.17 0.00 -0.87 0.00 0.00 58.31 57.78 2fug n LYS 157 Cb 0.02 -1.44 0.66 0.00 0.02 0.00 0.00 35.03 34.29 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 -0.18 0.79 -0.25 3.15 -1.51 -0.50 0.60 116.25 118.36 2fug h VAL 158 Ca -0.53 -0.02 -0.09 0.00 -1.23 0.00 0.00 66.70 64.83 2fug h VAL 158 Cb 1.74 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 2fug h VAL 158 CO -0.14 0.01 -0.19 0.03 -1.23 0.00 0.00 177.57 176.05 2fug h ARG 159 N 0.05 0.57 0.00 5.19 3.08 -1.71 -3.44 114.38 118.12 2fug h ARG 159 Ca 0.22 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2fug h ARG 159 Cb 0.80 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2fug h ARG 159 CO -0.01 0.86 0.00 0.41 -1.07 0.00 0.00 179.97 180.16 2fug n GLY 160 N 0.09 0.33 0.00 0.04 0.00 0.21 -4.86 105.19 101.00 2fug n GLY 160 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.82 0.55 -3.54 1.61 6.02 -1.20 -4.02 117.38 114.97 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 -1.24 -0.11 0.00 1.02 0.00 0.00 30.24 29.91 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 2.02 -0.09 -1.58 0.00 -0.55 -4.98 121.76 114.57 2fug s ALA 162 Ca 0.13 -2.77 -0.14 0.00 0.00 0.00 0.00 51.96 49.17 2fug s ALA 162 Cb 0.06 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 2fug s ALA 162 CO 0.10 -2.02 0.35 1.52 0.00 0.00 0.00 175.76 175.71 2fug s TYR 163 N -0.24 3.58 0.00 0.00 -0.85 -1.26 -4.49 117.35 114.09 2fug s TYR 163 Ca 0.29 0.78 0.00 0.00 -0.52 0.00 0.00 57.07 57.62 2fug s TYR 163 Cb -0.02 -2.31 0.00 0.00 0.38 0.00 0.00 41.96 40.01 2fug s TYR 163 CO -0.17 0.42 0.00 0.09 -1.52 0.00 0.00 175.55 174.38 2fug n ASN 164 N 2.80 1.39 0.00 -0.18 5.03 -1.14 -4.81 115.26 118.35 2fug n ASN 164 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2fug n ASN 164 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 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 -2.56 0.00 0.00 3.52 0.00 -1.26 -4.29 120.64 116.05 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 0.36 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.80 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 -0.10 5.31 0.63 -1.26 -4.38 116.66 116.86 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 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.55 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 -0.57 0.95 3.88 5.14 0.00 -1.26 -5.08 105.19 108.25 2fug n GLY 167 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.61 3.75 -0.09 1.61 2.02 -1.26 -4.98 118.70 119.14 2fug s GLU 168 Ca 0.00 0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 2fug s GLU 168 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 2fug s GLU 168 CO 0.00 0.24 1.18 1.03 0.02 0.00 0.00 175.26 177.74 2fug s ARG 169 N -3.17 4.34 -0.14 1.61 1.81 -1.26 -2.87 118.95 119.26 2fug s ARG 169 Ca 0.47 1.63 -0.15 0.00 -1.72 0.00 0.00 55.73 55.95 2fug s ARG 169 Cb -0.11 -3.59 -0.05 0.00 -0.45 0.00 0.00 34.95 30.75 2fug s ARG 169 CO 0.25 -0.48 0.35 -0.51 -0.68 0.00 0.00 175.30 174.22 2fug s LEU 170 N 2.44 4.26 0.81 2.53 1.43 -1.26 -4.95 118.68 123.94 2fug s LEU 170 Ca 0.54 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 2fug s LEU 170 Cb -0.23 -2.47 0.08 0.00 0.03 0.00 0.00 46.19 43.61 2fug s LEU 170 CO 0.20 0.08 1.14 -2.16 0.23 0.00 0.00 176.35 175.83 2fug s PRO 171 N 0.46 1.80 0.07 1.29 0.04 -1.26 -4.76 135.00 132.64 2fug s PRO 171 Ca 0.19 1.45 0.11 0.00 0.04 0.00 0.00 61.00 62.79 2fug s PRO 171 Cb -0.14 -1.82 -0.18 0.00 0.04 0.00 0.00 34.50 32.40 2fug s PRO 171 CO 0.06 -2.03 1.04 -1.35 0.04 0.00 0.00 177.00 174.75 2fug h PRO 172 N -1.16 0.00 0.00 0.56 0.11 -1.85 -3.46 132.00 126.19 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2fug h PRO 172 CO 0.47 0.71 0.00 1.33 -0.21 0.00 0.00 178.00 180.30 2fug n VAL 173 N -3.19 0.00 -3.61 3.15 0.24 -1.26 -4.46 118.33 109.20 2fug n VAL 173 Ca -0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.94 2fug n VAL 173 Cb 0.95 -0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 32.43 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 1.22 0.00 2.33 0.00 -1.26 -4.99 121.76 117.05 2fug s ALA 174 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2fug s ALA 174 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2fug s ALA 174 CO 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 175.76 173.93