#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lnz s LEU 27 N 0.00 3.36 0.18 -4.42 1.43 -1.26 -4.15 118.68 113.82 3lnz s LEU 27 Ca 0.00 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 3lnz s LEU 27 Cb 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3lnz s LEU 27 CO 0.00 0.34 -0.02 0.68 0.23 0.00 0.00 176.35 177.58 3lnz s VAL 28 N -0.91 3.60 -0.39 -1.59 -7.23 0.13 -4.81 120.40 109.20 3lnz s VAL 28 Ca 0.15 -1.48 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 3lnz s VAL 28 Cb -0.11 -2.81 0.11 0.00 0.56 0.00 0.00 36.38 34.13 3lnz s VAL 28 CO 0.04 -0.11 0.13 -0.60 -0.31 0.00 0.00 175.10 174.25 3lnz s ARG 29 N -2.92 1.71 0.44 4.82 3.52 0.69 -1.51 118.95 125.70 3lnz s ARG 29 Ca 0.27 -1.97 -0.24 0.00 -0.13 0.00 0.00 55.73 53.66 3lnz s ARG 29 Cb -0.09 -3.34 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 3lnz s ARG 29 CO 0.18 -1.00 1.09 -2.30 -0.81 0.00 0.00 175.30 172.46 3lnz n PRO 30 N 4.20 1.49 -1.32 5.12 -0.02 -1.26 0.07 135.00 143.28 3lnz n PRO 30 Ca 0.03 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 3lnz n PRO 30 Cb 0.41 -2.17 0.19 0.00 -0.02 0.00 0.00 33.50 31.91 3lnz n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lnz s LYS 31 N -2.15 0.08 0.19 -0.52 1.02 -0.08 -4.66 119.74 113.62 3lnz s LYS 31 Ca 0.64 0.16 -0.07 0.00 0.02 0.00 0.00 55.97 56.72 3lnz s LYS 31 Cb -0.53 -1.73 0.10 0.00 -0.52 0.00 0.00 37.83 35.15 3lnz s LYS 31 CO 0.56 -2.89 1.60 -1.35 -0.92 0.00 0.00 175.35 172.35 3lnz h PRO 32 N -2.00 0.90 -0.21 -1.68 0.11 -1.94 0.09 132.00 127.27 3lnz h PRO 32 Ca -0.49 -0.37 -0.03 0.00 0.11 0.00 0.00 66.00 65.22 3lnz h PRO 32 Cb 1.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3lnz h PRO 32 CO 0.49 1.02 0.02 -0.07 -0.21 0.00 0.00 178.00 179.25 3lnz h LEU 33 N 0.78 0.35 -0.41 2.35 3.38 -1.94 -1.50 115.31 118.32 3lnz h LEU 33 Ca 0.11 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3lnz h LEU 33 Cb 0.75 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3lnz h LEU 33 CO 0.06 0.55 0.03 0.25 0.09 0.00 0.00 178.44 179.42 3lnz h LEU 34 N 0.14 -0.10 -0.25 1.67 5.85 -1.83 -2.06 115.31 118.72 3lnz h LEU 34 Ca 0.06 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3lnz h LEU 34 Cb 0.36 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 3lnz h LEU 34 CO 0.01 -0.02 -0.12 0.25 -0.34 0.00 0.00 178.44 178.22 3lnz h LEU 35 N 0.14 -0.42 -0.71 2.25 5.85 -0.89 -1.64 115.31 119.89 3lnz h LEU 35 Ca 0.20 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.16 3lnz h LEU 35 Cb 0.27 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 3lnz h LEU 35 CO -0.31 -0.16 0.23 0.50 -0.34 0.00 0.00 178.44 178.37 3lnz h LYS 36 N -0.09 0.35 -0.00 1.25 3.64 -0.97 -0.58 116.57 120.16 3lnz h LYS 36 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3lnz h LYS 36 Cb 0.30 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3lnz h LYS 36 CO -0.31 0.23 0.00 1.25 -2.27 0.00 0.00 179.45 178.35 3lnz h LEU 37 N 0.36 0.01 -0.14 5.20 6.46 -0.92 -2.17 115.31 124.11 3lnz h LEU 37 Ca 0.39 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 3lnz h LEU 37 Cb 0.61 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 3lnz h LEU 37 CO -0.43 0.24 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.51 3lnz h LEU 38 N -0.23 -0.17 -1.68 2.25 3.38 -0.95 -2.41 115.31 115.50 3lnz h LEU 38 Ca 0.00 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.16 3lnz h LEU 38 Cb 0.24 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3lnz h LEU 38 CO 0.00 -0.07 0.46 0.11 0.09 0.00 0.00 178.44 179.03 3lnz h LYS 39 N -0.03 0.32 0.00 1.13 1.57 -1.08 -2.03 116.57 116.45 3lnz h LYS 39 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3lnz h LYS 39 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3lnz h LYS 39 CO -0.16 0.21 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 3lnz h SER 40 N 0.33 0.00 -0.20 0.86 4.64 -0.86 -0.86 113.55 117.46 3lnz h SER 40 Ca 0.33 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.60 3lnz h SER 40 Cb 0.83 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 3lnz h SER 40 CO -0.09 0.00 -0.06 1.33 -0.87 0.00 0.00 176.83 177.14 3lnz n VAL 41 N -2.77 2.26 0.00 0.95 0.24 -0.81 -4.97 118.33 113.23 3lnz n VAL 41 Ca 0.00 -2.33 0.00 0.00 -2.04 0.00 0.00 64.34 59.97 3lnz n VAL 41 Cb 0.22 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 3lnz n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lnz n GLY 42 N -0.96 1.05 3.77 7.63 0.00 -0.33 -5.02 105.19 111.32 3lnz n GLY 42 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3lnz n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lnz s ALA 43 N -2.00 3.14 0.00 4.61 0.00 -0.93 -4.94 121.76 121.64 3lnz s ALA 43 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3lnz s ALA 43 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3lnz s ALA 43 CO 0.00 -0.50 0.13 1.04 0.00 0.00 0.00 175.76 176.43 3lnz n GLN 44 N 0.05 3.94 -3.91 0.00 6.02 -1.26 -4.19 117.38 118.03 3lnz n GLN 44 Ca 0.04 -0.13 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 3lnz n GLN 44 Cb 0.47 -0.59 -0.06 0.00 1.02 0.00 0.00 30.24 31.09 3lnz n GLN 44 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3lnz s LYS 45 N -0.60 2.37 -0.10 -1.09 1.02 -1.26 -5.04 119.74 115.04 3lnz s LYS 45 Ca 0.00 -1.67 0.17 0.00 0.02 0.00 0.00 55.97 54.49 3lnz s LYS 45 Cb 0.00 -2.17 -0.24 0.00 -0.52 0.00 0.00 37.83 34.91 3lnz s LYS 45 CO 0.00 -0.11 0.39 -0.25 -0.92 0.00 0.00 175.35 174.46 3lnz n ASP 46 N -1.34 0.35 -4.04 2.83 8.00 -1.26 -4.97 116.55 116.11 3lnz n ASP 46 Ca 0.00 0.16 -0.15 0.00 0.71 0.00 0.00 54.79 55.51 3lnz n ASP 46 Cb 0.63 0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 42.33 3lnz n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3lnz s THR 47 N -2.71 0.59 0.11 -3.53 -4.23 -1.26 -4.05 115.64 100.56 3lnz s THR 47 Ca -0.07 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.62 3lnz s THR 47 Cb 0.08 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.29 3lnz s THR 47 CO 0.83 -0.16 0.08 -0.31 -0.54 0.00 0.00 174.62 174.53 3lnz s TYR 48 N -0.88 0.64 0.60 3.99 2.02 -0.57 -4.91 117.35 118.25 3lnz s TYR 48 Ca -0.04 -1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 55.50 3lnz s TYR 48 Cb -0.07 -0.36 -0.02 0.00 -0.40 0.00 0.00 41.96 41.11 3lnz s TYR 48 CO 0.00 -0.51 0.97 0.95 -1.57 0.00 0.00 175.55 175.39 3lnz s THR 49 N -3.99 4.38 0.37 -0.71 -4.23 -1.26 0.19 115.64 110.39 3lnz s THR 49 Ca 0.17 0.53 0.07 0.00 -1.18 0.00 0.00 61.69 61.28 3lnz s THR 49 Cb 0.07 -3.74 0.17 0.00 1.34 0.00 0.00 72.50 70.34 3lnz s THR 49 CO -0.03 -0.89 1.91 0.24 -0.54 0.00 0.00 174.62 175.31 3lnz h MET 50 N -0.24 0.38 -0.72 3.99 2.86 -1.97 -1.78 114.93 117.44 3lnz h MET 50 Ca -0.45 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.05 3lnz h MET 50 Cb 1.21 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 3lnz h MET 50 CO 0.62 0.45 0.20 1.57 1.06 0.00 0.00 176.91 180.81 3lnz h LYS 51 N 0.37 1.13 -0.47 1.72 -0.00 -1.95 -1.38 116.57 115.98 3lnz h LYS 51 Ca 0.08 -0.25 -0.08 0.00 -0.00 0.00 0.00 60.65 60.40 3lnz h LYS 51 Cb 0.32 -0.16 -0.02 0.00 -0.00 0.00 0.00 32.23 32.37 3lnz h LYS 51 CO 0.01 0.98 -0.01 0.93 -0.00 0.00 0.00 179.45 181.36 3lnz h GLU 52 N 1.08 0.84 -0.22 0.07 5.08 -1.79 -0.96 114.58 118.68 3lnz h GLU 52 Ca 0.23 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3lnz h GLU 52 Cb 0.34 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 3lnz h GLU 52 CO -0.00 0.90 -0.36 0.28 -1.00 0.00 0.00 179.01 178.83 3lnz h VAL 53 N 0.69 0.22 0.00 3.13 2.07 -1.16 -0.62 116.25 120.58 3lnz h VAL 53 Ca 0.13 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 3lnz h VAL 53 Cb 0.53 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3lnz h VAL 53 CO 0.03 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 177.23 3lnz h LEU 54 N -0.38 0.00 0.67 2.57 4.07 -0.98 -0.74 115.31 120.53 3lnz h LEU 54 Ca 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 3lnz h LEU 54 Cb 0.57 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.31 3lnz h LEU 54 CO -0.43 0.31 -0.32 -0.26 -1.08 0.00 0.00 178.44 176.67 3lnz h PHE 55 N 0.00 -0.83 -0.45 1.13 0.04 -0.84 -2.01 116.94 113.98 3lnz h PHE 55 Ca -0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3lnz h PHE 55 Cb 0.61 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 3lnz h PHE 55 CO 0.00 -0.48 0.23 1.88 -0.60 0.00 0.00 178.31 179.33 3lnz h TYR 56 N -1.12 0.61 -0.45 -0.55 0.05 -1.00 -0.86 116.97 113.65 3lnz h TYR 56 Ca -0.09 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.57 3lnz h TYR 56 Cb 0.72 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3lnz h TYR 56 CO 0.00 0.44 -0.13 1.25 -1.05 0.00 0.00 178.16 178.68 3lnz h LEU 57 N 0.63 0.90 -0.29 3.88 5.85 -1.20 0.97 115.31 126.04 3lnz h LEU 57 Ca 0.16 -0.37 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 3lnz h LEU 57 Cb 0.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3lnz h LEU 57 CO -0.02 1.06 -0.18 1.23 -0.34 0.00 0.00 178.44 180.19 3lnz h GLY 58 N 0.72 0.69 0.00 3.75 0.00 -0.98 -2.29 103.07 104.96 3lnz h GLY 58 Ca 0.11 -0.64 0.11 0.00 0.00 0.00 0.00 47.33 46.91 3lnz h GLY 58 CO 0.05 0.58 -0.05 -1.61 0.00 0.00 0.00 176.54 175.51 3lnz h GLN 59 N 0.38 0.06 -0.39 4.80 4.15 -1.11 -0.79 115.11 122.21 3lnz h GLN 59 Ca 0.06 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.54 3lnz h GLN 59 Cb 0.71 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 3lnz h GLN 59 CO 0.05 0.04 0.05 -0.92 -1.93 0.00 0.00 178.83 176.12 3lnz h TYR 60 N 0.07 0.08 -0.37 3.99 3.20 -0.66 0.25 116.97 123.52 3lnz h TYR 60 Ca 0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3lnz h TYR 60 Cb 0.43 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3lnz h TYR 60 CO -0.38 -0.02 0.24 0.82 -1.64 0.00 0.00 178.16 177.18 3lnz h ILE 61 N 0.17 1.11 -0.18 1.81 2.04 -0.85 0.05 117.51 121.65 3lnz h ILE 61 Ca 0.19 -0.22 -0.21 0.00 1.00 0.00 0.00 64.86 65.62 3lnz h ILE 61 Cb 0.25 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3lnz h ILE 61 CO -0.27 0.10 -0.72 0.24 0.00 0.00 0.00 178.15 177.50 3lnz h MET 62 N 0.50 0.79 -0.30 2.37 2.86 -0.93 -0.86 114.93 119.36 3lnz h MET 62 Ca 0.14 -0.61 0.02 0.00 -2.06 0.00 0.00 59.70 57.19 3lnz h MET 62 Cb -0.03 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3lnz h MET 62 CO -0.03 1.22 0.15 1.15 1.06 0.00 0.00 176.91 180.46 3lnz h THR 63 N 0.56 0.98 -0.12 2.22 2.02 -0.42 -1.32 112.91 116.84 3lnz h THR 63 Ca -0.03 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3lnz h THR 63 Cb 1.34 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3lnz h THR 63 CO 0.15 0.06 0.00 0.29 0.37 0.00 0.00 175.52 176.39 3lnz n LYS 64 N -4.97 1.35 -3.97 6.66 5.02 -0.01 -4.93 118.16 117.33 3lnz n LYS 64 Ca -0.01 -0.54 -0.32 0.00 -2.02 0.00 0.00 58.31 55.43 3lnz n LYS 64 Cb 0.08 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 3lnz n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3lnz n ARG 65 N -0.15 -1.85 0.00 1.97 0.63 -0.41 -4.87 116.66 111.99 3lnz n ARG 65 Ca 0.09 0.31 0.13 0.00 -0.92 0.00 0.00 57.85 57.46 3lnz n ARG 65 Cb 0.16 -3.91 0.36 0.00 0.45 0.00 0.00 32.46 29.52 3lnz n ARG 65 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3lnz n LEU 66 N -4.50 0.51 -4.75 6.15 4.77 -0.72 -4.89 117.00 113.56 3lnz n LEU 66 Ca -0.22 0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.39 3lnz n LEU 66 Cb 0.64 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3lnz n LEU 66 CO 0.75 0.11 0.66 -0.72 -1.33 0.00 0.00 177.39 176.86 3lnz s TYR 67 N -2.87 3.96 0.34 -1.77 -0.85 -1.26 0.16 117.35 115.06 3lnz s TYR 67 Ca 0.15 1.91 -0.29 0.00 -0.52 0.00 0.00 57.07 58.32 3lnz s TYR 67 Cb 0.18 -3.00 -0.12 0.00 0.38 0.00 0.00 41.96 39.41 3lnz s TYR 67 CO 0.62 0.39 1.49 -3.47 -1.52 0.00 0.00 175.55 173.07 3lnz n ASP 68 N 1.46 3.60 -0.05 -0.18 2.03 0.18 -4.92 116.55 118.68 3lnz n ASP 68 Ca -0.02 1.19 -0.02 0.00 0.52 0.00 0.00 54.79 56.47 3lnz n ASP 68 Cb 0.47 -1.58 0.25 0.00 -0.72 0.00 0.00 41.12 39.53 3lnz n ASP 68 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3lnz h GLU 69 N 3.55 0.63 0.00 -0.67 4.39 -1.95 -3.29 114.58 117.24 3lnz h GLU 69 Ca -0.49 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 58.93 3lnz h GLU 69 Cb 1.24 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 3lnz h GLU 69 CO 0.69 0.64 -1.77 1.63 -1.16 0.00 0.00 179.01 179.04 3lnz n LYS 70 N -4.26 1.37 -3.67 2.33 4.76 -1.26 -4.71 118.16 112.71 3lnz n LYS 70 Ca 0.02 -0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 3lnz n LYS 70 Cb 0.26 -1.32 -0.12 0.00 -1.84 0.00 0.00 35.03 32.01 3lnz n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3lnz s GLN 71 N -2.54 1.46 0.00 1.97 -0.21 -1.25 -5.00 119.66 114.07 3lnz s GLN 71 Ca -0.06 -2.34 0.21 0.00 0.02 0.00 0.00 55.36 53.19 3lnz s GLN 71 Cb 0.06 -2.34 1.03 0.00 1.00 0.00 0.00 33.01 32.76 3lnz s GLN 71 CO 0.53 -1.25 1.65 1.04 -2.12 0.00 0.00 175.29 175.14 3lnz n GLN 72 N 3.00 0.29 0.02 2.91 6.02 -1.24 -1.13 117.38 127.24 3lnz n GLN 72 Ca 0.17 0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.37 3lnz n GLN 72 Cb 0.38 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 30.66 3lnz n GLN 72 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3lnz n HIS 73 N -1.29 0.13 -2.67 1.08 1.44 -1.26 -4.60 115.22 108.06 3lnz n HIS 73 Ca 0.10 0.04 -0.42 0.00 -2.01 0.00 0.00 57.72 55.42 3lnz n HIS 73 Cb 0.17 -0.57 -0.03 0.00 0.12 0.00 0.00 29.99 29.68 3lnz n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3lnz s ILE 74 N -3.02 4.74 -0.08 0.61 1.01 -0.29 -0.02 121.20 124.15 3lnz s ILE 74 Ca 0.12 2.01 0.04 0.00 0.00 0.00 0.00 60.65 62.82 3lnz s ILE 74 Cb 0.16 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 3lnz s ILE 74 CO 0.47 -0.01 -0.20 -0.69 0.00 0.00 0.00 174.94 174.52 3lnz s VAL 75 N 2.09 2.53 -0.21 2.92 1.01 0.16 0.47 120.40 129.38 3lnz s VAL 75 Ca 0.49 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3lnz s VAL 75 Cb -0.19 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3lnz s VAL 75 CO 0.18 0.56 0.09 -0.31 0.00 0.00 0.00 175.10 175.62 3lnz s TYR 76 N -0.11 3.24 -0.02 5.22 2.02 0.12 -1.77 117.35 126.06 3lnz s TYR 76 Ca -0.04 0.04 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 3lnz s TYR 76 Cb -0.14 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.31 3lnz s TYR 76 CO 0.04 0.05 0.82 0.00 -1.57 0.00 0.00 175.55 174.90 3lnz n SER 78 N -0.28 3.49 -3.54 0.00 7.64 -0.47 -2.73 113.62 117.72 3lnz n SER 78 Ca 0.02 1.21 -0.26 0.00 1.01 0.00 0.00 58.87 60.85 3lnz n SER 78 Cb 0.53 -1.59 0.03 0.00 -1.01 0.00 0.00 64.21 62.18 3lnz n SER 78 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3lnz n ASN 79 N 0.44 -5.22 -3.86 6.43 5.15 -1.26 -4.97 115.26 111.97 3lnz n ASN 79 Ca 0.03 -0.54 -0.11 0.00 -0.60 0.00 0.00 54.58 53.35 3lnz n ASN 79 Cb 0.39 -4.19 -0.11 0.00 -0.53 0.00 0.00 39.78 35.34 3lnz n ASN 79 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3lnz s ASP 80 N -3.05 -0.02 0.34 1.20 2.15 -1.16 -5.04 116.67 111.10 3lnz s ASP 80 Ca 0.52 -0.07 0.13 0.00 0.43 0.00 0.00 52.55 53.56 3lnz s ASP 80 Cb -0.25 0.24 0.99 0.00 -0.30 0.00 0.00 42.92 43.59 3lnz s ASP 80 CO 0.64 -0.29 1.72 0.25 -0.17 0.00 0.00 175.17 177.32 3lnz h LEU 81 N 4.70 0.59 -1.02 -1.34 5.85 -1.94 0.93 115.31 123.08 3lnz h LEU 81 Ca -0.29 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3lnz h LEU 81 Cb 1.20 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 3lnz h LEU 81 CO 0.41 0.05 0.65 0.25 -0.34 0.00 0.00 178.44 179.45 3lnz h LEU 82 N 0.48 1.04 -0.51 2.25 5.85 -1.96 -1.99 115.31 120.46 3lnz h LEU 82 Ca 0.66 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 59.22 3lnz h LEU 82 Cb 1.42 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3lnz h LEU 82 CO -0.46 0.67 -0.73 1.23 -0.34 0.00 0.00 178.44 178.81 3lnz h GLY 83 N 1.18 0.15 0.50 3.75 0.00 -0.63 -0.39 103.07 107.62 3lnz h GLY 83 Ca 0.43 -0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.58 3lnz h GLY 83 CO -0.17 0.20 -0.11 -0.55 0.00 0.00 0.00 176.54 175.92 3lnz h ASP 84 N 0.09 -0.34 1.15 0.19 3.32 -0.78 0.63 116.42 120.68 3lnz h ASP 84 Ca -0.02 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.94 3lnz h ASP 84 Cb 1.28 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.99 3lnz h ASP 84 CO 0.11 -0.14 -0.88 0.17 -1.72 0.00 0.00 179.24 176.78 3lnz h LEU 85 N -0.10 0.00 0.00 1.55 8.10 -1.25 -3.29 115.31 120.33 3lnz h LEU 85 Ca 0.10 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.99 3lnz h LEU 85 Cb 0.25 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.45 3lnz h LEU 85 CO -0.24 0.76 -0.97 -0.26 -4.11 0.00 0.00 178.44 173.62 3lnz h PHE 86 N 0.00 0.00 -1.23 0.17 -1.00 -1.07 -3.47 116.94 110.34 3lnz h PHE 86 Ca -0.04 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.46 3lnz h PHE 86 Cb 1.61 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 41.11 3lnz h PHE 86 CO 0.00 0.37 -0.30 0.41 -1.61 0.00 0.00 178.31 177.18 3lnz n GLY 87 N 1.28 0.72 3.43 -1.45 0.00 0.22 -5.03 105.19 104.36 3lnz n GLY 87 Ca -0.03 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 3lnz n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lnz s VAL 88 N -2.59 2.27 0.15 1.61 -7.23 -1.24 -5.06 120.40 108.30 3lnz s VAL 88 Ca 0.00 -2.29 0.08 0.00 -1.81 0.00 0.00 61.98 57.96 3lnz s VAL 88 Cb 0.00 -2.19 -0.18 0.00 0.56 0.00 0.00 36.38 34.57 3lnz s VAL 88 CO 0.00 -0.40 1.34 -0.65 -0.31 0.00 0.00 175.10 175.08 3lnz h PRO 89 N 2.52 0.00 -3.09 4.82 0.11 -1.91 -3.39 132.00 131.06 3lnz h PRO 89 Ca -0.41 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.71 3lnz h PRO 89 Cb 1.24 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 3lnz h PRO 89 CO 0.58 0.93 0.16 -1.54 -0.21 0.00 0.00 178.00 177.93 3lnz s SER 90 N -6.74 -0.39 0.24 -2.05 1.04 -1.26 -0.61 113.70 103.93 3lnz s SER 90 Ca 0.01 -0.32 -0.15 0.00 0.48 0.00 0.00 55.95 55.96 3lnz s SER 90 Cb 0.10 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.86 3lnz s SER 90 CO 0.81 -1.11 0.53 0.72 0.98 0.00 0.00 173.24 175.17 3lnz s PHE 91 N -3.84 0.14 -0.12 5.02 -0.12 -0.73 -4.95 117.98 113.37 3lnz s PHE 91 Ca 0.06 -0.51 -0.02 0.00 -0.05 0.00 0.00 56.93 56.41 3lnz s PHE 91 Cb -0.02 0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.67 3lnz s PHE 91 CO -0.04 -1.01 -0.05 0.45 -0.05 0.00 0.00 175.22 174.52 3lnz s SER 92 N -2.96 4.77 0.66 1.98 0.15 -1.26 -0.66 113.70 116.37 3lnz s SER 92 Ca 0.17 -0.08 0.43 0.00 0.70 0.00 0.00 55.95 57.17 3lnz s SER 92 Cb -0.02 -1.57 2.34 0.00 -1.71 0.00 0.00 66.02 65.06 3lnz s SER 92 CO 0.05 0.25 2.32 0.58 1.20 0.00 0.00 173.24 177.64 3lnz h VAL 93 N 4.80 0.00 0.00 4.45 2.07 -0.80 -2.20 116.25 124.57 3lnz h VAL 93 Ca -0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3lnz h VAL 93 Cb 1.19 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3lnz h VAL 93 CO 0.59 0.00 0.00 0.11 0.02 0.00 0.00 177.57 178.29 3lnz h LYS 94 N 0.00 0.00 -4.45 1.57 1.57 -1.94 -3.37 116.57 109.95 3lnz h LYS 94 Ca 0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.04 3lnz h LYS 94 Cb 0.05 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.21 3lnz h LYS 94 CO 0.00 0.00 1.73 0.39 -0.57 0.00 0.00 179.45 181.00 3lnz n GLU 95 N -2.87 3.41 0.24 3.15 1.02 -0.83 -4.88 120.64 119.87 3lnz n GLU 95 Ca 0.04 -3.64 -0.16 0.00 -0.02 0.00 0.00 57.16 53.39 3lnz n GLU 95 Cb 0.48 -3.06 -0.08 0.00 -0.02 0.00 0.00 31.44 28.76 3lnz n GLU 95 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3lnz h HIS 96 N 6.70 -0.51 -0.69 -0.32 3.86 -1.87 -1.12 115.15 121.21 3lnz h HIS 96 Ca 0.37 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.53 3lnz h HIS 96 Cb 0.79 0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 3lnz h HIS 96 CO 1.20 -0.31 0.29 -0.09 0.86 0.00 0.00 177.93 179.87 3lnz h ARG 97 N -0.55 1.02 -0.29 2.45 2.43 -1.96 0.21 114.38 117.70 3lnz h ARG 97 Ca -0.06 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3lnz h ARG 97 Cb 0.42 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 3lnz h ARG 97 CO 0.09 0.84 -0.16 -0.22 -1.51 0.00 0.00 179.97 179.01 3lnz h LYS 98 N 0.98 -0.12 -0.76 0.20 3.64 -1.91 -0.25 116.57 118.35 3lnz h LYS 98 Ca 0.23 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3lnz h LYS 98 Cb 0.19 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3lnz h LYS 98 CO -0.02 -0.08 0.43 0.82 -2.27 0.00 0.00 179.45 178.32 3lnz h ILE 99 N -0.13 1.23 -0.23 2.00 2.04 -0.26 -2.37 117.51 119.79 3lnz h ILE 99 Ca 0.15 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3lnz h ILE 99 Cb 0.36 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3lnz h ILE 99 CO -0.37 0.25 -0.14 1.88 0.00 0.00 0.00 178.15 179.77 3lnz h TYR 100 N 1.05 0.41 -0.33 1.37 -1.99 -0.25 -1.85 116.97 115.38 3lnz h TYR 100 Ca 0.27 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.87 3lnz h TYR 100 Cb 0.02 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3lnz h TYR 100 CO -0.00 0.51 -0.07 1.15 -0.00 0.00 0.00 178.16 179.76 3lnz h THR 101 N 0.35 1.28 -0.53 -2.88 2.02 -0.72 0.47 112.91 112.89 3lnz h THR 101 Ca 0.07 -1.10 0.06 0.00 0.77 0.00 0.00 66.41 66.21 3lnz h THR 101 Cb 0.46 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 3lnz h THR 101 CO 0.03 0.36 0.23 0.24 0.37 0.00 0.00 175.52 176.75 3lnz h MET 102 N 0.41 0.43 -0.02 6.66 2.86 -1.31 -1.44 114.93 122.51 3lnz h MET 102 Ca 0.08 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3lnz h MET 102 Cb 0.55 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3lnz h MET 102 CO 0.03 0.28 0.00 0.82 1.06 0.00 0.00 176.91 179.10 3lnz h ILE 103 N 0.44 1.21 -0.94 -1.22 2.04 -1.17 -3.07 117.51 114.81 3lnz h ILE 103 Ca 0.25 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.52 3lnz h ILE 103 Cb 0.23 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 3lnz h ILE 103 CO -0.22 0.17 0.61 1.88 0.00 0.00 0.00 178.15 180.59 3lnz h TYR 104 N -0.23 1.12 -0.89 1.37 -1.99 -0.85 0.10 116.97 115.61 3lnz h TYR 104 Ca 0.01 0.03 0.23 0.00 2.00 0.00 0.00 58.73 61.00 3lnz h TYR 104 Cb 0.27 -0.37 -0.05 0.00 2.00 0.00 0.00 36.73 38.58 3lnz h TYR 104 CO 0.02 0.62 0.62 -0.09 -0.00 0.00 0.00 178.16 179.32 3lnz h ARG 105 N 1.14 0.17 -0.64 4.88 2.43 -1.26 -1.97 114.38 119.13 3lnz h ARG 105 Ca 0.39 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3lnz h ARG 105 Cb 0.09 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3lnz h ARG 105 CO -0.13 0.12 0.00 0.09 -1.51 0.00 0.00 179.97 178.53 3lnz n ASN 106 N -4.39 5.01 -4.04 -3.80 3.02 0.34 -4.93 115.26 106.47 3lnz n ASN 106 Ca 0.19 -2.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.86 3lnz n ASN 106 Cb 0.84 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 3lnz n ASN 106 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lnz s LEU 107 N -2.31 2.27 -0.32 3.41 1.43 -0.74 -0.90 118.68 121.52 3lnz s LEU 107 Ca 0.47 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 3lnz s LEU 107 Cb 0.35 -0.05 -0.00 0.00 0.03 0.00 0.00 46.19 46.52 3lnz s LEU 107 CO 0.14 -0.27 0.17 -0.69 0.23 0.00 0.00 176.35 175.94 3lnz s VAL 108 N -1.63 4.67 0.00 -1.59 1.01 0.11 -4.88 120.40 118.09 3lnz s VAL 108 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3lnz s VAL 108 Cb -0.08 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3lnz s VAL 108 CO -0.01 0.02 0.33 0.52 0.00 0.00 0.00 175.10 175.97