#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bl8 n LEU 24 N 0.00 0.00 -0.46 0.00 7.94 -1.26 -4.81 117.00 118.41 1bl8 n LEU 24 Ca 0.00 0.00 0.41 0.00 -1.11 0.00 0.00 56.01 55.31 1bl8 n LEU 24 Cb 0.00 0.26 0.76 0.00 0.53 0.00 0.00 43.42 44.97 1bl8 n LEU 24 CO 0.00 -0.26 1.37 1.12 -1.11 0.00 0.00 177.39 178.51 1bl8 h HIS 25 N 0.00 0.06 0.00 1.96 2.07 -1.97 2.86 115.15 120.12 1bl8 h HIS 25 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1bl8 h HIS 25 Cb 0.00 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1bl8 h HIS 25 CO 0.00 -0.01 -1.15 1.87 -3.07 0.00 0.00 177.93 175.58 1bl8 n TRP 26 N -4.15 0.00 -0.01 6.12 -0.00 -1.26 -4.19 117.44 113.95 1bl8 n TRP 26 Ca 0.33 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.84 1bl8 n TRP 26 Cb 1.50 -0.08 -0.05 0.00 -0.00 0.00 0.00 31.31 32.69 1bl8 n TRP 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1bl8 n ARG 27 N -1.62 1.05 0.17 5.87 1.74 0.33 -4.06 116.66 120.14 1bl8 n ARG 27 Ca 0.03 -0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.20 1bl8 n ARG 27 Cb 0.36 -1.15 0.49 0.00 -1.02 0.00 0.00 32.46 31.15 1bl8 n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bl8 h ALA 28 N 0.48 1.00 0.00 7.54 0.00 0.43 -3.04 119.26 125.68 1bl8 h ALA 28 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bl8 h ALA 28 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bl8 h ALA 28 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.12 1bl8 n ALA 29 N -1.87 0.12 0.13 0.00 0.00 -1.26 -2.90 120.51 114.72 1bl8 n ALA 29 Ca 0.03 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1bl8 n ALA 29 Cb 0.31 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.05 1bl8 n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bl8 h GLY 30 N -0.24 0.00 0.32 0.00 0.00 -1.70 0.34 103.07 101.80 1bl8 h GLY 30 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1bl8 h GLY 30 CO 0.00 0.00 -2.22 0.00 0.00 0.00 0.00 176.54 174.32 1bl8 n ALA 31 N -1.84 1.14 -0.25 3.60 0.00 -1.15 -4.38 120.51 117.63 1bl8 n ALA 31 Ca 0.08 -0.83 0.03 0.00 0.00 0.00 0.00 53.44 52.72 1bl8 n ALA 31 Cb 1.09 -0.41 0.15 0.00 0.00 0.00 0.00 19.45 20.28 1bl8 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bl8 h ALA 32 N 0.03 0.99 -0.83 0.00 0.00 -0.19 0.26 119.26 119.53 1bl8 h ALA 32 Ca -0.50 0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.66 1bl8 h ALA 32 Cb 1.96 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.66 1bl8 h ALA 32 CO 0.00 -0.12 0.35 1.79 0.00 0.00 0.00 179.25 181.27 1bl8 h THR 33 N 0.53 0.59 0.00 0.00 1.35 -1.69 2.58 112.91 116.28 1bl8 h THR 33 Ca 0.37 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 1bl8 h THR 33 Cb 0.46 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1bl8 h THR 33 CO -0.32 0.08 0.01 0.52 -0.25 0.00 0.00 175.52 175.56 1bl8 n VAL 34 N -5.00 1.04 -0.10 6.82 0.31 0.08 -0.59 118.33 120.88 1bl8 n VAL 34 Ca 0.18 0.27 -0.24 0.00 -0.01 0.00 0.00 64.34 64.53 1bl8 n VAL 34 Cb 0.51 -1.27 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 1bl8 n VAL 34 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bl8 n LEU 35 N -1.25 2.15 -0.18 7.52 4.77 0.86 -4.00 117.00 126.87 1bl8 n LEU 35 Ca 0.00 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1bl8 n LEU 35 Cb 0.01 -0.94 0.05 0.00 -2.33 0.00 0.00 43.42 40.21 1bl8 n LEU 35 CO 0.00 0.55 1.05 0.25 -1.33 0.00 0.00 177.39 177.91 1bl8 h LEU 36 N -0.71 0.47 -1.61 2.23 5.85 -0.18 -0.97 115.31 120.40 1bl8 h LEU 36 Ca -0.51 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.34 1bl8 h LEU 36 Cb 1.60 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 1bl8 h LEU 36 CO -0.22 0.33 0.45 0.58 -0.34 0.00 0.00 178.44 179.23 1bl8 h VAL 37 N 0.59 0.86 -0.10 1.05 2.07 -1.46 0.26 116.25 119.52 1bl8 h VAL 37 Ca 0.22 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1bl8 h VAL 37 Cb 0.07 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1bl8 h VAL 37 CO -0.12 0.08 -0.04 0.40 0.02 0.00 0.00 177.57 177.91 1bl8 h ILE 38 N 0.43 1.31 -0.57 4.57 5.03 -1.34 -2.55 117.51 124.38 1bl8 h ILE 38 Ca 0.32 -1.03 0.12 0.00 -0.12 0.00 0.00 64.86 64.14 1bl8 h ILE 38 Cb 0.65 1.79 -0.10 0.00 -3.03 0.00 0.00 36.82 36.14 1bl8 h ILE 38 CO -0.09 0.29 -0.01 0.58 -0.68 0.00 0.00 178.15 178.24 1bl8 h VAL 39 N -0.15 0.53 0.00 1.67 2.07 0.16 1.14 116.25 121.68 1bl8 h VAL 39 Ca 0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1bl8 h VAL 39 Cb 0.48 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1bl8 h VAL 39 CO 0.01 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.80 1bl8 n LEU 40 N -5.27 0.00 -0.47 2.57 4.77 0.60 0.18 117.00 119.38 1bl8 n LEU 40 Ca 0.07 0.55 0.41 0.00 -0.03 0.00 0.00 56.01 57.01 1bl8 n LEU 40 Cb 0.32 -0.05 0.74 0.00 -2.33 0.00 0.00 43.42 42.10 1bl8 n LEU 40 CO 0.12 -0.05 1.36 -0.07 -1.33 0.00 0.00 177.39 177.42 1bl8 h LEU 41 N 0.00 0.08 0.08 2.23 3.38 -1.15 0.52 115.31 120.45 1bl8 h LEU 41 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1bl8 h LEU 41 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bl8 h LEU 41 CO 0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 178.44 178.47 1bl8 h ALA 42 N 1.33 -0.10 -0.27 1.53 0.00 0.22 -2.80 119.26 119.17 1bl8 h ALA 42 Ca 0.74 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.29 1bl8 h ALA 42 Cb 2.76 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.58 1bl8 h ALA 42 CO -0.11 -0.30 -0.32 0.78 0.00 0.00 0.00 179.25 179.30 1bl8 h GLY 43 N -0.62 0.63 0.15 0.00 0.00 0.54 -3.20 103.07 100.58 1bl8 h GLY 43 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1bl8 h GLY 43 CO 0.02 0.53 -0.24 1.76 0.00 0.00 0.00 176.54 178.61 1bl8 h SER 44 N 0.50 -0.68 0.00 0.19 0.02 -0.19 0.19 113.55 113.58 1bl8 h SER 44 Ca 0.06 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1bl8 h SER 44 Cb 0.80 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1bl8 h SER 44 CO 0.07 -0.28 0.00 -1.22 -1.14 0.00 0.00 176.83 174.25 1bl8 n TYR 45 N -3.78 0.00 0.00 3.45 4.02 -1.06 -3.04 117.16 116.75 1bl8 n TYR 45 Ca -0.05 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.20 1bl8 n TYR 45 Cb 0.20 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1bl8 n TYR 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1bl8 n LEU 46 N 0.90 0.06 -0.01 7.72 0.00 -0.87 -4.71 117.00 120.09 1bl8 n LEU 46 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 1bl8 n LEU 46 Cb 0.47 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.93 1bl8 n LEU 46 CO 0.00 0.01 0.47 0.00 0.00 0.00 0.00 177.39 177.87 1bl8 h ALA 47 N 0.00 0.66 0.55 1.96 0.00 -0.55 -3.06 119.26 118.82 1bl8 h ALA 47 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1bl8 h ALA 47 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bl8 h ALA 47 CO 0.00 0.69 -0.36 0.28 0.00 0.00 0.00 179.25 179.85 1bl8 h VAL 48 N 0.47 0.00 0.00 0.00 2.07 -1.67 0.02 116.25 117.14 1bl8 h VAL 48 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1bl8 h VAL 48 Cb 1.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1bl8 h VAL 48 CO 0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1bl8 n LEU 49 N -4.66 0.00 -0.01 2.57 -0.00 -1.22 0.15 117.00 113.83 1bl8 n LEU 49 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.91 1bl8 n LEU 49 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.74 1bl8 n LEU 49 CO 0.24 0.00 -0.62 0.00 -0.00 0.00 0.00 177.39 177.02 1bl8 n ALA 50 N -0.58 2.10 -0.04 1.47 0.00 -0.26 -4.74 120.51 118.47 1bl8 n ALA 50 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.17 1bl8 n ALA 50 Cb 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 1bl8 n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bl8 n GLU 51 N -1.89 2.53 -0.15 0.00 -0.58 0.21 -4.72 120.64 116.04 1bl8 n GLU 51 Ca -0.04 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 1bl8 n GLU 51 Cb 0.35 -1.18 0.25 0.00 -0.57 0.00 0.00 31.44 30.29 1bl8 n GLU 51 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1bl8 n ARG 52 N -2.32 -0.03 -3.86 3.49 3.00 0.40 -2.31 116.66 115.03 1bl8 n ARG 52 Ca -0.12 0.64 -0.30 0.00 -0.00 0.00 0.00 57.85 58.07 1bl8 n ARG 52 Cb 0.72 -1.13 -0.11 0.00 0.00 0.00 0.00 32.46 31.94 1bl8 n ARG 52 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1bl8 s GLY 53 N -3.74 2.93 0.00 5.14 0.00 -1.26 -4.89 107.32 105.51 1bl8 s GLY 53 Ca -0.04 -3.81 0.00 0.00 0.00 0.00 0.00 44.72 40.87 1bl8 s GLY 53 CO 0.36 1.09 0.00 0.00 0.00 0.00 0.00 173.10 174.55 1bl8 n ALA 54 N 2.11 0.00 0.00 3.20 0.00 -0.98 -5.00 120.51 119.84 1bl8 n ALA 54 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1bl8 n ALA 54 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1bl8 n ALA 54 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bl8 n PRO 55 N -0.06 0.00 -2.32 0.00 -0.02 -1.26 -4.78 135.00 126.56 1bl8 n PRO 55 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1bl8 n PRO 55 Cb 0.00 -1.04 0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1bl8 n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1bl8 s GLY 56 N -1.70 1.59 0.23 -1.23 0.00 -1.26 -5.08 107.32 99.87 1bl8 s GLY 56 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 1bl8 s GLY 56 CO 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 173.10 172.98 1bl8 n ALA 57 N -2.57 -0.80 0.00 3.20 0.00 -1.26 -4.74 120.51 114.33 1bl8 n ALA 57 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1bl8 n ALA 57 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1bl8 n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bl8 n GLN 58 N -2.37 0.00 -0.27 0.00 7.27 -1.26 -3.67 117.38 117.08 1bl8 n GLN 58 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.09 1bl8 n GLN 58 Cb 0.09 -1.32 -0.00 0.00 2.41 0.00 0.00 30.24 31.41 1bl8 n GLN 58 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1bl8 n LEU 59 N -0.76 2.80 -0.11 1.69 4.77 -1.26 -2.27 117.00 121.87 1bl8 n LEU 59 Ca 0.00 -1.29 0.02 0.00 -0.03 0.00 0.00 56.01 54.72 1bl8 n LEU 59 Cb 0.00 -0.60 0.05 0.00 -2.33 0.00 0.00 43.42 40.54 1bl8 n LEU 59 CO 0.00 0.53 0.53 2.30 -1.33 0.00 0.00 177.39 179.43 1bl8 n ILE 60 N 1.77 1.17 -3.76 -0.08 -0.00 -1.24 -3.52 119.36 113.70 1bl8 n ILE 60 Ca 0.01 -1.22 -0.15 0.00 -0.00 0.00 0.00 62.75 61.38 1bl8 n ILE 60 Cb 0.27 0.36 -0.16 0.00 -0.00 0.00 0.00 39.64 40.11 1bl8 n ILE 60 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1bl8 s THR 61 N -1.34 -0.06 0.15 7.28 2.01 -0.96 -4.75 115.64 117.96 1bl8 s THR 61 Ca 0.09 0.24 -0.18 0.00 0.31 0.00 0.00 61.69 62.15 1bl8 s THR 61 Cb 0.07 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 72.51 1bl8 s THR 61 CO 0.03 0.10 1.71 1.88 -0.69 0.00 0.00 174.62 177.65 1bl8 h TYR 62 N 7.40 -0.00 0.00 4.92 0.05 -1.90 0.18 116.97 127.61 1bl8 h TYR 62 Ca -0.43 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1bl8 h TYR 62 Cb 1.12 0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1bl8 h TYR 62 CO 0.51 -0.04 0.00 -2.30 -1.05 0.00 0.00 178.16 175.27 1bl8 n PRO 63 N -5.16 0.12 -0.10 4.88 -0.02 -1.26 -2.03 135.00 131.44 1bl8 n PRO 63 Ca 0.00 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 1bl8 n PRO 63 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.04 1bl8 n PRO 63 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bl8 n ARG 64 N -1.22 0.57 -0.19 -0.52 3.00 -0.19 -4.43 116.66 113.68 1bl8 n ARG 64 Ca 0.04 0.11 0.04 0.00 -0.01 0.00 0.00 57.85 58.02 1bl8 n ARG 64 Cb 0.04 -1.40 0.31 0.00 0.00 0.00 0.00 32.46 31.41 1bl8 n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bl8 h ALA 65 N 0.06 1.59 -0.00 7.54 0.00 -0.43 -2.86 119.26 125.17 1bl8 h ALA 65 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bl8 h ALA 65 Cb 1.72 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1bl8 h ALA 65 CO -0.06 0.33 -0.00 -0.07 0.00 0.00 0.00 179.25 179.44 1bl8 h LEU 66 N 0.86 -0.01 -1.45 0.00 3.38 -1.71 0.54 115.31 116.92 1bl8 h LEU 66 Ca 0.29 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1bl8 h LEU 66 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bl8 h LEU 66 CO -0.08 -0.00 0.54 -0.25 0.09 0.00 0.00 178.44 178.73 1bl8 h TRP 67 N -0.00 0.00 0.16 1.13 2.91 -1.76 0.66 115.95 119.06 1bl8 h TRP 67 Ca 0.00 0.00 -0.28 0.00 1.13 0.00 0.00 58.89 59.74 1bl8 h TRP 67 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 28.67 1bl8 h TRP 67 CO -0.40 0.00 -1.32 2.35 -1.03 0.00 0.00 178.44 178.04 1bl8 h TRP 68 N 0.00 0.63 -0.40 2.65 7.01 -0.61 -2.72 115.95 122.51 1bl8 h TRP 68 Ca 0.03 -0.46 0.04 0.00 2.11 0.00 0.00 58.89 60.61 1bl8 h TRP 68 Cb 1.10 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 28.10 1bl8 h TRP 68 CO 0.00 1.51 0.17 0.77 -2.79 0.00 0.00 178.44 178.10 1bl8 h SER 69 N -0.16 0.22 0.51 2.65 0.02 0.52 0.12 113.55 117.43 1bl8 h SER 69 Ca -0.26 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1bl8 h SER 69 Cb 1.87 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 1bl8 h SER 69 CO 0.15 0.17 -0.29 0.58 -1.14 0.00 0.00 176.83 176.29 1bl8 h VAL 70 N 0.36 0.39 -0.44 2.27 2.07 -1.21 0.65 116.25 120.34 1bl8 h VAL 70 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1bl8 h VAL 70 Cb 0.13 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1bl8 h VAL 70 CO -0.15 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.30 1bl8 h GLU 71 N -0.76 0.38 0.25 1.57 3.07 -1.30 0.14 114.58 117.93 1bl8 h GLU 71 Ca -0.06 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1bl8 h GLU 71 Cb 0.61 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1bl8 h GLU 71 CO 0.08 0.25 -0.12 1.15 -1.40 0.00 0.00 179.01 178.97 1bl8 h THR 72 N 0.39 0.76 -0.93 1.13 2.02 -0.59 0.20 112.91 115.89 1bl8 h THR 72 Ca 0.19 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.42 1bl8 h THR 72 Cb 0.14 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1bl8 h THR 72 CO -0.16 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.33 1bl8 h ALA 73 N 0.41 1.47 0.00 6.16 0.00 0.70 0.60 119.26 128.60 1bl8 h ALA 73 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bl8 h ALA 73 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bl8 h ALA 73 CO 0.06 0.41 0.00 2.41 0.00 0.00 0.00 179.25 182.12 1bl8 n THR 74 N -4.48 0.56 -3.18 0.00 -1.04 0.46 -4.22 114.28 102.37 1bl8 n THR 74 Ca 0.14 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1bl8 n THR 74 Cb 0.17 -0.65 0.01 0.00 -1.82 0.00 0.00 70.33 68.04 1bl8 n THR 74 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1bl8 n THR 75 N -2.16 -8.46 0.00 12.58 5.66 0.21 -4.94 114.28 117.17 1bl8 n THR 75 Ca 0.05 0.19 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1bl8 n THR 75 Cb 0.39 -5.91 0.00 0.00 -1.55 0.00 0.00 70.33 63.26 1bl8 n THR 75 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1bl8 n VAL 76 N -1.25 0.00 -3.54 1.08 0.31 -0.52 -5.02 118.33 109.38 1bl8 n VAL 76 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.97 1bl8 n VAL 76 Cb 0.55 -0.30 0.03 0.00 -0.91 0.00 0.00 33.84 33.20 1bl8 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bl8 n GLY 77 N 2.44 -0.34 0.31 2.92 0.00 -1.25 -4.85 105.19 104.43 1bl8 n GLY 77 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 46.02 47.01 1bl8 n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bl8 h TYR 78 N 1.41 0.86 0.00 1.61 0.05 -1.90 -3.46 116.97 115.55 1bl8 h TYR 78 Ca -0.55 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.17 1bl8 h TYR 78 Cb 1.38 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1bl8 h TYR 78 CO 0.07 0.69 0.00 0.41 -1.05 0.00 0.00 178.16 178.28 1bl8 n GLY 79 N -0.97 3.17 0.34 3.88 0.00 -1.26 -4.88 105.19 105.47 1bl8 n GLY 79 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 1bl8 n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1bl8 h ASP 80 N 0.00 0.00 -4.61 1.61 2.03 -2.01 -3.42 116.42 110.02 1bl8 h ASP 80 Ca 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.21 1bl8 h ASP 80 Cb 0.00 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.29 1bl8 h ASP 80 CO 0.00 0.00 -0.10 -0.76 -1.03 0.00 0.00 179.24 177.35 1bl8 s LEU 81 N -7.16 0.17 -0.16 0.15 1.43 -1.26 -4.91 118.68 106.93 1bl8 s LEU 81 Ca -0.04 0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 53.34 1bl8 s LEU 81 Cb 0.14 1.78 0.14 0.00 0.03 0.00 0.00 46.19 48.27 1bl8 s LEU 81 CO 0.49 -0.39 1.09 -0.72 0.23 0.00 0.00 176.35 177.05 1bl8 s TYR 82 N -0.72 -0.25 0.51 0.29 1.13 -1.26 -4.86 117.35 112.19 1bl8 s TYR 82 Ca -0.08 0.33 -0.18 0.00 -1.41 0.00 0.00 57.07 55.73 1bl8 s TYR 82 Cb -0.03 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.24 1bl8 s TYR 82 CO 0.05 -0.29 1.00 -1.25 -2.51 0.00 0.00 175.55 172.55 1bl8 s PRO 83 N -1.74 3.84 0.00 -3.49 0.04 -1.26 -4.51 135.00 127.87 1bl8 s PRO 83 Ca 0.04 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1bl8 s PRO 83 Cb -0.01 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1bl8 s PRO 83 CO -0.03 -0.37 0.00 0.28 0.04 0.00 0.00 177.00 176.91 1bl8 n VAL 84 N -1.43 0.00 -2.61 -0.36 0.31 -1.26 -4.79 118.33 108.20 1bl8 n VAL 84 Ca 0.08 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 1bl8 n VAL 84 Cb 0.54 0.67 -0.04 0.00 -0.91 0.00 0.00 33.84 34.09 1bl8 n VAL 84 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1bl8 s THR 85 N -0.88 4.15 0.21 2.52 2.01 -1.26 -4.93 115.64 117.47 1bl8 s THR 85 Ca 0.00 1.81 -0.12 0.00 0.31 0.00 0.00 61.69 63.69 1bl8 s THR 85 Cb 0.00 -4.16 0.22 0.00 0.01 0.00 0.00 72.50 68.57 1bl8 s THR 85 CO 0.00 0.29 1.64 0.25 -0.69 0.00 0.00 174.62 176.11 1bl8 h LEU 86 N 5.39 -0.44 0.30 4.42 5.85 -1.95 0.20 115.31 129.07 1bl8 h LEU 86 Ca -0.44 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1bl8 h LEU 86 Cb 1.21 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1bl8 h LEU 86 CO 0.73 -0.17 -0.14 -0.50 -0.34 0.00 0.00 178.44 178.01 1bl8 h TRP 87 N 0.05 -0.37 -1.31 1.25 -0.00 -1.92 -2.30 115.95 111.35 1bl8 h TRP 87 Ca 0.32 -0.01 0.38 0.00 -0.00 0.00 0.00 58.89 59.58 1bl8 h TRP 87 Cb 0.51 0.12 -0.06 0.00 -0.00 0.00 0.00 29.16 29.73 1bl8 h TRP 87 CO -0.45 -0.11 0.93 0.78 -0.00 0.00 0.00 178.44 179.60 1bl8 h GLY 88 N -0.60 0.15 1.78 1.49 0.00 -1.47 1.66 103.07 106.08 1bl8 h GLY 88 Ca -0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 1bl8 h GLY 88 CO 0.07 -0.03 -0.71 3.21 0.00 0.00 0.00 176.54 179.08 1bl8 h ARG 89 N 0.03 0.21 0.80 4.80 3.08 -0.12 -2.54 114.38 120.64 1bl8 h ARG 89 Ca 0.64 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.47 1bl8 h ARG 89 Cb 2.46 0.04 0.01 0.00 0.08 0.00 0.00 29.97 32.56 1bl8 h ARG 89 CO -0.05 0.83 -0.38 0.00 -1.07 0.00 0.00 179.97 179.30 1bl8 h VAL 91 N -1.29 0.25 0.72 0.00 2.07 -1.26 0.44 116.25 117.18 1bl8 h VAL 91 Ca -0.11 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1bl8 h VAL 91 Cb 0.83 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1bl8 h VAL 91 CO 0.18 0.02 -0.35 0.00 0.02 0.00 0.00 177.57 177.45 1bl8 h ALA 92 N 1.49 -0.97 -0.62 1.67 0.00 -0.98 -0.86 119.26 118.97 1bl8 h ALA 92 Ca 0.74 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.52 1bl8 h ALA 92 Cb 2.44 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 20.50 1bl8 h ALA 92 CO -0.26 -0.96 -0.43 0.28 0.00 0.00 0.00 179.25 177.88 1bl8 h VAL 93 N -1.14 0.09 0.07 0.00 2.07 0.67 0.12 116.25 118.13 1bl8 h VAL 93 Ca -0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1bl8 h VAL 93 Cb 0.77 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1bl8 h VAL 93 CO 0.16 0.00 -0.28 0.58 0.02 0.00 0.00 177.57 178.06 1bl8 h VAL 94 N -0.20 0.00 0.00 2.57 2.07 -1.27 0.15 116.25 119.58 1bl8 h VAL 94 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1bl8 h VAL 94 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1bl8 h VAL 94 CO -0.72 0.00 0.27 0.55 0.02 0.00 0.00 177.57 177.69 1bl8 n VAL 95 N -4.03 0.70 -0.02 2.57 3.14 -0.34 -1.72 118.33 118.64 1bl8 n VAL 95 Ca -0.04 0.72 -0.00 0.00 -2.96 0.00 0.00 64.34 62.05 1bl8 n VAL 95 Cb 0.22 -1.72 -0.00 0.00 -1.06 0.00 0.00 33.84 31.28 1bl8 n VAL 95 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1bl8 h MET 96 N 0.00 0.00 -0.70 1.45 2.07 0.19 -3.29 114.93 114.66 1bl8 h MET 96 Ca 0.00 0.00 0.15 0.00 -2.07 0.00 0.00 59.70 57.78 1bl8 h MET 96 Cb 0.54 0.00 -0.11 0.00 -1.87 0.00 0.00 31.60 30.16 1bl8 h MET 96 CO 0.00 0.00 0.08 -0.39 1.07 0.00 0.00 176.91 177.67 1bl8 h VAL 97 N -0.36 0.47 -0.98 -2.22 -1.51 -0.68 0.51 116.25 111.47 1bl8 h VAL 97 Ca 0.00 -0.06 0.33 0.00 -1.23 0.00 0.00 66.70 65.73 1bl8 h VAL 97 Cb 0.01 0.27 -0.18 0.00 -2.13 0.00 0.00 31.29 29.26 1bl8 h VAL 97 CO 0.00 0.03 0.22 0.00 -1.23 0.00 0.00 177.57 176.59 1bl8 n ALA 98 N -2.76 0.70 -0.05 5.19 0.00 -0.70 0.12 120.51 123.01 1bl8 n ALA 98 Ca 0.12 1.03 -0.13 0.00 0.00 0.00 0.00 53.44 54.46 1bl8 n ALA 98 Cb 0.43 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.90 1bl8 n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bl8 h GLY 99 N 0.00 -0.01 0.77 0.00 0.00 -0.09 0.71 103.07 104.45 1bl8 h GLY 99 Ca 0.69 0.00 0.13 0.00 0.00 0.00 0.00 47.33 48.15 1bl8 h GLY 99 CO -0.86 -0.00 0.49 -2.22 0.00 0.00 0.00 176.54 173.95 1bl8 h ILE 100 N -0.84 0.84 0.00 2.60 2.04 0.08 -1.10 117.51 121.13 1bl8 h ILE 100 Ca -0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1bl8 h ILE 100 Cb 0.80 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1bl8 h ILE 100 CO 0.00 0.09 -0.11 0.74 0.00 0.00 0.00 178.15 178.87 1bl8 h THR 101 N 0.49 0.00 -1.36 -0.27 2.02 0.85 -2.73 112.91 111.91 1bl8 h THR 101 Ca 0.36 -0.50 0.43 0.00 0.77 0.00 0.00 66.41 67.47 1bl8 h THR 101 Cb 0.71 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.01 1bl8 h THR 101 CO -0.12 0.00 0.90 -1.28 0.37 0.00 0.00 175.52 175.39 1bl8 h SER 102 N -0.50 0.22 0.79 4.18 0.87 0.48 0.96 113.55 120.55 1bl8 h SER 102 Ca 0.00 0.11 -0.24 0.00 -1.23 0.00 0.00 61.79 60.42 1bl8 h SER 102 Cb 0.11 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1bl8 h SER 102 CO 0.00 -0.13 -1.20 -0.26 -0.53 0.00 0.00 176.83 174.70 1bl8 h PHE 103 N 0.09 0.15 -0.29 2.24 0.04 -1.35 -3.32 116.94 114.51 1bl8 h PHE 103 Ca 0.80 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 61.50 1bl8 h PHE 103 Cb 2.61 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 40.72 1bl8 h PHE 103 CO -0.00 1.10 0.06 0.78 -0.60 0.00 0.00 178.31 179.65 1bl8 h GLY 104 N 2.62 0.34 0.07 -1.45 0.00 0.13 -2.41 103.07 102.38 1bl8 h GLY 104 Ca -0.10 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1bl8 h GLY 104 CO 0.14 -0.01 -0.30 1.41 0.00 0.00 0.00 176.54 177.78 1bl8 h LEU 105 N 0.17 -0.97 -1.61 3.11 4.07 -1.56 0.36 115.31 118.89 1bl8 h LEU 105 Ca 0.14 0.16 0.27 0.00 0.08 0.00 0.00 57.88 58.52 1bl8 h LEU 105 Cb 0.14 0.43 -0.07 0.00 1.08 0.00 0.00 40.66 42.24 1bl8 h LEU 105 CO -0.18 -0.33 0.69 0.58 -1.08 0.00 0.00 178.44 178.12 1bl8 h VAL 106 N -0.33 0.53 -0.07 1.22 2.07 -1.55 1.14 116.25 119.27 1bl8 h VAL 106 Ca 0.12 -0.09 -0.20 0.00 0.82 0.00 0.00 66.70 67.36 1bl8 h VAL 106 Cb 0.52 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1bl8 h VAL 106 CO -0.41 0.05 -0.74 0.74 0.02 0.00 0.00 177.57 177.23 1bl8 h THR 107 N 0.26 1.33 0.37 2.57 2.02 -0.16 -2.44 112.91 116.85 1bl8 h THR 107 Ca 0.54 -2.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 1bl8 h THR 107 Cb 1.63 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 70.29 1bl8 h THR 107 CO -0.17 0.62 -0.33 0.00 0.37 0.00 0.00 175.52 176.01 1bl8 h ALA 108 N 0.45 -0.72 -0.73 6.16 0.00 0.43 0.31 119.26 125.16 1bl8 h ALA 108 Ca -0.07 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1bl8 h ALA 108 Cb 1.40 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 19.53 1bl8 h ALA 108 CO 0.15 -0.94 -0.47 0.00 0.00 0.00 0.00 179.25 177.99 1bl8 h ALA 109 N -0.21 -0.33 -0.52 0.00 0.00 0.88 0.19 119.26 119.27 1bl8 h ALA 109 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1bl8 h ALA 109 Cb 0.63 1.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1bl8 h ALA 109 CO -0.04 -0.84 0.27 -0.07 0.00 0.00 0.00 179.25 178.57 1bl8 h LEU 110 N -0.16 0.63 -1.53 0.00 4.07 -0.95 -1.68 115.31 115.70 1bl8 h LEU 110 Ca 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1bl8 h LEU 110 Cb 0.54 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1bl8 h LEU 110 CO -0.79 0.52 0.19 0.00 -1.08 0.00 0.00 178.44 177.28 1bl8 h ALA 111 N 1.59 1.64 0.16 1.53 0.00 0.27 -2.83 119.26 121.61 1bl8 h ALA 111 Ca 0.18 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 1bl8 h ALA 111 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1bl8 h ALA 111 CO -0.03 0.30 -1.78 1.79 0.00 0.00 0.00 179.25 179.54 1bl8 h THR 112 N 0.51 0.90 0.00 0.00 1.35 -0.95 -3.27 112.91 111.45 1bl8 h THR 112 Ca 0.13 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1bl8 h THR 112 Cb 0.04 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1bl8 h THR 112 CO -0.02 0.85 0.00 1.87 -0.25 0.00 0.00 175.52 177.97 1bl8 n TRP 113 N -3.54 0.00 0.26 4.73 -0.00 -0.67 0.15 117.44 118.38 1bl8 n TRP 113 Ca -0.25 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.32 1bl8 n TRP 113 Cb 1.07 -0.05 -0.09 0.00 -0.00 0.00 0.00 31.31 32.23 1bl8 n TRP 113 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.69 178.88 1bl8 n PHE 114 N -1.05 0.00 0.01 5.87 3.01 -1.09 -4.18 117.46 120.03 1bl8 n PHE 114 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1bl8 n PHE 114 Cb 0.02 -0.18 -0.10 0.00 -0.01 0.00 0.00 39.48 39.20 1bl8 n PHE 114 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1bl8 n VAL 115 N -1.70 1.03 0.57 -4.37 0.31 0.41 -3.95 118.33 110.61 1bl8 n VAL 115 Ca -0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1bl8 n VAL 115 Cb 0.30 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1bl8 n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bl8 n GLY 116 N 1.43 1.09 2.62 2.92 0.00 0.23 -1.84 105.19 111.63 1bl8 n GLY 116 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1bl8 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bl8 n ARG 117 N 0.63 1.13 -0.01 1.61 5.12 -1.25 -4.82 116.66 119.07 1bl8 n ARG 117 Ca 0.00 -2.94 0.06 0.00 -1.93 0.00 0.00 57.85 53.04 1bl8 n ARG 117 Cb 0.26 -1.05 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 1bl8 n ARG 117 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1bl8 n GLU 118 N -0.11 0.46 0.00 5.56 0.28 -0.77 -5.08 120.64 120.98 1bl8 n GLU 118 Ca 0.08 -0.12 0.04 0.00 -0.16 0.00 0.00 57.16 57.01 1bl8 n GLU 118 Cb 0.80 -1.32 0.25 0.00 1.43 0.00 0.00 31.44 32.60 1bl8 n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97