#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpl n ALA 28 N 0.00 1.57 0.07 5.13 0.00 -1.26 -1.10 120.51 124.92 3hpl n ALA 28 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.30 3hpl n ALA 28 Cb 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 3hpl n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hpl h ALA 29 N 2.34 0.23 0.51 0.00 0.00 -1.98 -1.08 119.26 119.29 3hpl h ALA 29 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 3hpl h ALA 29 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hpl h ALA 29 CO 0.00 0.79 -0.24 0.78 0.00 0.00 0.00 179.25 180.57 3hpl h GLY 30 N 0.96 -0.71 -0.41 0.00 0.00 -1.52 -2.04 103.07 99.35 3hpl h GLY 30 Ca -0.11 0.26 0.20 0.00 0.00 0.00 0.00 47.33 47.69 3hpl h GLY 30 CO 0.19 -0.26 0.12 0.00 0.00 0.00 0.00 176.54 176.59 3hpl h ALA 31 N -0.29 1.03 -0.88 3.60 0.00 -1.39 0.30 119.26 121.64 3hpl h ALA 31 Ca -0.07 0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.21 3hpl h ALA 31 Cb 0.56 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 3hpl h ALA 31 CO 0.11 -0.44 0.48 0.00 0.00 0.00 0.00 179.25 179.41 3hpl h ALA 32 N 1.75 1.32 -0.47 0.00 0.00 -0.60 -1.86 119.26 119.40 3hpl h ALA 32 Ca 0.48 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.42 3hpl h ALA 32 Cb 0.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hpl h ALA 32 CO -0.66 -0.01 0.12 1.15 0.00 0.00 0.00 179.25 179.86 3hpl h THR 33 N 0.72 1.23 0.08 0.00 2.02 0.27 -0.98 112.91 116.25 3hpl h THR 33 Ca 0.46 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3hpl h THR 33 Cb 0.59 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3hpl h THR 33 CO -0.33 0.29 -0.06 0.58 0.37 0.00 0.00 175.52 176.37 3hpl h VAL 34 N 0.63 0.00 -0.98 3.16 2.07 -1.00 -2.18 116.25 117.94 3hpl h VAL 34 Ca 0.15 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.92 3hpl h VAL 34 Cb 0.31 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.89 3hpl h VAL 34 CO -0.00 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.79 3hpl h LEU 35 N -0.13 -0.61 0.27 2.57 5.85 -1.40 -0.17 115.31 121.69 3hpl h LEU 35 Ca -0.01 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3hpl h LEU 35 Cb 0.11 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3hpl h LEU 35 CO 0.00 -0.35 -0.28 0.25 -0.34 0.00 0.00 178.44 177.73 3hpl h LEU 36 N 0.01 -0.76 -1.93 2.25 5.85 -1.04 -0.56 115.31 119.13 3hpl h LEU 36 Ca 0.56 0.07 0.25 0.00 0.84 0.00 0.00 57.88 59.60 3hpl h LEU 36 Cb 1.08 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 3hpl h LEU 36 CO -0.95 -0.40 0.64 0.58 -0.34 0.00 0.00 178.44 177.97 3hpl h VAL 37 N -0.59 0.57 -0.04 1.05 2.07 -0.38 0.66 116.25 119.60 3hpl h VAL 37 Ca -0.01 -0.02 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 3hpl h VAL 37 Cb 0.54 0.51 0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hpl h VAL 37 CO -0.07 0.01 -0.97 0.40 0.02 0.00 0.00 177.57 176.96 3hpl h ILE 38 N 0.05 1.28 -0.32 4.57 2.04 -0.77 -2.78 117.51 121.59 3hpl h ILE 38 Ca 0.43 -2.18 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 3hpl h ILE 38 Cb 1.64 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 3hpl h ILE 38 CO -0.03 0.68 -0.20 0.58 0.00 0.00 0.00 178.15 179.17 3hpl h VAL 39 N 0.42 1.26 0.00 1.67 2.07 0.92 -0.01 116.25 122.59 3hpl h VAL 39 Ca -0.11 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 3hpl h VAL 39 Cb 1.62 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3hpl h VAL 39 CO 0.19 0.40 -0.14 -0.07 0.02 0.00 0.00 177.57 177.97 3hpl h LEU 40 N 0.53 0.00 0.00 2.57 3.38 0.22 0.14 115.31 122.14 3hpl h LEU 40 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 3hpl h LEU 40 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3hpl h LEU 40 CO 0.05 0.14 -1.11 -0.07 0.09 0.00 0.00 178.44 177.54 3hpl h LEU 41 N 0.00 0.00 -1.35 1.67 3.38 -1.15 -3.13 115.31 114.73 3hpl h LEU 41 Ca -0.00 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 57.66 3hpl h LEU 41 Cb 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3hpl h LEU 41 CO 0.02 1.35 0.53 0.00 0.09 0.00 0.00 178.44 180.43 3hpl h ALA 42 N -0.58 1.79 0.78 1.53 0.00 -1.02 -0.64 119.26 121.12 3hpl h ALA 42 Ca -0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3hpl h ALA 42 Cb 1.15 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hpl h ALA 42 CO -0.17 0.03 -0.37 0.78 0.00 0.00 0.00 179.25 179.51 3hpl h GLY 43 N 0.71 -1.09 -0.28 0.00 0.00 -0.88 0.49 103.07 102.02 3hpl h GLY 43 Ca 0.38 0.41 0.21 0.00 0.00 0.00 0.00 47.33 48.32 3hpl h GLY 43 CO -0.15 -0.40 0.26 1.76 0.00 0.00 0.00 176.54 178.01 3hpl h SER 44 N -1.10 0.09 0.00 0.19 0.02 -1.29 0.23 113.55 111.69 3hpl h SER 44 Ca -0.11 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3hpl h SER 44 Cb 0.81 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3hpl h SER 44 CO 0.18 -0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 3hpl n TYR 45 N -5.16 0.00 -0.32 3.45 9.36 -0.32 -2.58 117.16 121.59 3hpl n TYR 45 Ca 0.19 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.51 3hpl n TYR 45 Cb 0.61 -0.26 0.21 0.00 -0.63 0.00 0.00 39.34 39.28 3hpl n TYR 45 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3hpl h LEU 46 N 0.00 -0.54 -0.77 2.98 3.38 -0.69 0.13 115.31 119.81 3hpl h LEU 46 Ca 0.00 0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.40 3hpl h LEU 46 Cb 0.00 0.47 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 3hpl h LEU 46 CO 0.00 -0.29 0.17 0.00 0.09 0.00 0.00 178.44 178.41 3hpl h ALA 47 N 1.89 0.99 -0.04 1.53 0.00 -0.58 1.18 119.26 124.23 3hpl h ALA 47 Ca 0.51 0.19 -0.21 0.00 0.00 0.00 0.00 54.91 55.39 3hpl h ALA 47 Cb 0.95 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hpl h ALA 47 CO -0.86 -0.37 -0.86 0.28 0.00 0.00 0.00 179.25 177.44 3hpl h VAL 48 N 0.24 1.38 -0.55 0.00 2.07 -0.54 0.45 116.25 119.30 3hpl h VAL 48 Ca 0.44 -2.29 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 3hpl h VAL 48 Cb 0.78 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 3hpl h VAL 48 CO -0.56 0.69 0.06 0.25 0.02 0.00 0.00 177.57 178.04 3hpl h LEU 49 N 0.28 0.85 0.09 2.57 5.85 0.85 -2.12 115.31 123.68 3hpl h LEU 49 Ca -0.06 -0.19 -0.24 0.00 0.84 0.00 0.00 57.88 58.23 3hpl h LEU 49 Cb 1.47 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 42.30 3hpl h LEU 49 CO 0.15 0.87 -0.99 0.00 -0.34 0.00 0.00 178.44 178.13 3hpl h ALA 50 N 1.23 -0.01 -0.40 1.25 0.00 0.13 -3.37 119.26 118.10 3hpl h ALA 50 Ca 0.17 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 3hpl h ALA 50 Cb 0.41 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hpl h ALA 50 CO 0.01 0.54 -0.29 0.93 0.00 0.00 0.00 179.25 180.44 3hpl h GLU 51 N 0.05 0.87 -6.93 0.00 4.39 -0.82 -3.44 114.58 108.69 3hpl h GLU 51 Ca -0.15 -0.40 -0.56 0.00 0.34 0.00 0.00 59.36 58.59 3hpl h GLU 51 Cb 1.71 -0.01 0.17 0.00 -0.10 0.00 0.00 28.75 30.51 3hpl h GLU 51 CO 0.19 1.04 0.15 0.54 -1.16 0.00 0.00 179.01 179.78 3hpl n ARG 52 N -4.08 0.69 0.00 2.33 5.12 -0.81 -2.26 116.66 117.64 3hpl n ARG 52 Ca -0.01 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 3hpl n ARG 52 Cb 0.49 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.54 3hpl n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hpl n GLY 53 N 1.14 2.78 3.51 -0.13 0.00 -1.26 -4.98 105.19 106.25 3hpl n GLY 53 Ca 0.14 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3hpl n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpl s ALA 54 N -1.83 3.32 0.19 4.61 0.00 -0.96 -5.01 121.76 122.08 3hpl s ALA 54 Ca 0.00 -1.25 -0.32 0.00 0.00 0.00 0.00 51.96 50.39 3hpl s ALA 54 Cb 0.00 -3.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.56 3hpl s ALA 54 CO 0.00 -1.93 1.09 -2.30 0.00 0.00 0.00 175.76 172.63 3hpl n PRO 55 N 6.50 1.11 0.00 0.00 -0.02 -1.26 -1.48 135.00 139.85 3hpl n PRO 55 Ca -0.01 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3hpl n PRO 55 Cb 0.47 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3hpl n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpl n GLY 56 N 1.85 2.37 3.76 -1.23 0.00 -1.26 -5.02 105.19 105.66 3hpl n GLY 56 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hpl n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpl s ALA 57 N -2.35 3.57 -0.50 4.61 0.00 -0.55 -4.91 121.76 121.64 3hpl s ALA 57 Ca 0.00 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.41 3hpl s ALA 57 Cb 0.00 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 3hpl s ALA 57 CO 0.00 -0.76 0.45 1.04 0.00 0.00 0.00 175.76 176.49 3hpl n GLN 58 N 1.50 3.51 -1.50 0.00 6.02 -1.26 -4.67 117.38 120.98 3hpl n GLN 58 Ca 0.03 -0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 3hpl n GLN 58 Cb 0.41 -1.00 -0.06 0.00 1.02 0.00 0.00 30.24 30.61 3hpl n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3hpl n LEU 59 N -1.24 7.25 -0.29 1.08 7.94 -1.26 -4.53 117.00 125.95 3hpl n LEU 59 Ca 0.02 -4.21 0.03 0.00 -1.11 0.00 0.00 56.01 50.74 3hpl n LEU 59 Cb 0.16 -1.39 0.06 0.00 0.53 0.00 0.00 43.42 42.79 3hpl n LEU 59 CO 0.21 1.91 0.51 2.30 -1.11 0.00 0.00 177.39 181.22 3hpl n ILE 60 N 2.10 0.78 -4.66 1.96 -5.35 -1.26 -3.95 119.36 108.98 3hpl n ILE 60 Ca 0.59 -0.89 -0.25 0.00 -0.27 0.00 0.00 62.75 61.93 3hpl n ILE 60 Cb 0.46 0.63 -0.16 0.00 -1.74 0.00 0.00 39.64 38.83 3hpl n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3hpl s THR 61 N -0.88 1.21 0.29 7.28 -4.23 -1.26 -4.95 115.64 113.10 3hpl s THR 61 Ca 0.10 -0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 3hpl s THR 61 Cb 0.06 -1.08 0.44 0.00 1.34 0.00 0.00 72.50 73.25 3hpl s THR 61 CO 0.07 0.37 1.56 1.88 -0.54 0.00 0.00 174.62 177.96 3hpl h TYR 62 N 6.71 -0.32 0.00 3.99 0.99 -1.94 -1.88 116.97 124.52 3hpl h TYR 62 Ca -0.31 0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.50 3hpl h TYR 62 Cb 1.18 0.30 0.00 0.00 1.00 0.00 0.00 36.73 39.21 3hpl h TYR 62 CO 0.47 -0.44 0.00 -2.30 -0.00 0.00 0.00 178.16 175.89 3hpl n PRO 63 N -5.57 0.00 -0.07 4.88 -0.02 -1.26 -2.14 135.00 130.82 3hpl n PRO 63 Ca 0.19 0.24 0.25 0.00 -2.02 0.00 0.00 63.50 62.17 3hpl n PRO 63 Cb 0.62 -1.20 0.71 0.00 -0.02 0.00 0.00 33.50 33.61 3hpl n PRO 63 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hpl h ARG 64 N 0.00 0.00 -0.03 -0.52 0.11 -1.99 0.78 114.38 112.73 3hpl h ARG 64 Ca 0.00 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.12 3hpl h ARG 64 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 3hpl h ARG 64 CO 0.00 0.00 -0.30 0.00 0.10 0.00 0.00 179.97 179.77 3hpl h ALA 65 N 1.40 -0.40 -0.87 0.08 0.00 -1.18 0.62 119.26 118.91 3hpl h ALA 65 Ca 0.34 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.34 3hpl h ALA 65 Cb 1.60 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 3hpl h ALA 65 CO -0.00 -0.80 0.57 1.25 0.00 0.00 0.00 179.25 180.26 3hpl h LEU 66 N -0.43 0.77 -0.42 0.00 5.85 0.11 0.10 115.31 121.30 3hpl h LEU 66 Ca 0.07 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3hpl h LEU 66 Cb 0.53 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3hpl h LEU 66 CO -0.27 0.45 0.05 -0.25 -0.34 0.00 0.00 178.44 178.08 3hpl h TRP 67 N 0.85 0.75 -0.00 1.25 2.91 -0.75 -1.39 115.95 119.58 3hpl h TRP 67 Ca 0.41 -0.11 0.03 0.00 1.13 0.00 0.00 58.89 60.34 3hpl h TRP 67 Cb 0.42 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 3hpl h TRP 67 CO -0.00 0.74 -0.26 2.35 -1.03 0.00 0.00 178.44 180.24 3hpl h TRP 68 N 0.55 -0.69 -0.96 2.65 7.01 0.25 -2.06 115.95 122.69 3hpl h TRP 68 Ca 0.12 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.18 3hpl h TRP 68 Cb 0.40 0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 3hpl h TRP 68 CO 0.03 -0.35 0.63 0.66 -2.79 0.00 0.00 178.44 176.62 3hpl h SER 69 N -0.40 1.06 0.08 2.65 4.64 -0.84 -1.54 113.55 119.20 3hpl h SER 69 Ca 0.06 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hpl h SER 69 Cb 0.48 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3hpl h SER 69 CO -0.23 0.74 -0.08 0.58 -0.87 0.00 0.00 176.83 176.97 3hpl h VAL 70 N 1.24 0.82 0.00 0.95 2.07 -0.75 0.10 116.25 120.68 3hpl h VAL 70 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 3hpl h VAL 70 Cb -0.04 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3hpl h VAL 70 CO -0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.48 3hpl n HIS 71 N -5.19 0.81 0.05 1.57 1.44 -0.82 -1.34 115.22 111.73 3hpl n HIS 71 Ca -0.07 0.27 -0.06 0.00 -2.01 0.00 0.00 57.72 55.85 3hpl n HIS 71 Cb 0.12 -0.94 -0.11 0.00 0.12 0.00 0.00 29.99 29.19 3hpl n HIS 71 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 3hpl h THR 72 N 0.00 1.33 0.01 0.61 2.02 -0.81 0.48 112.91 116.56 3hpl h THR 72 Ca 0.00 -3.02 -0.15 0.00 0.77 0.00 0.00 66.41 64.01 3hpl h THR 72 Cb 0.56 2.64 0.01 0.00 -1.74 0.00 0.00 68.15 69.62 3hpl h THR 72 CO 0.00 0.76 -0.59 0.00 0.37 0.00 0.00 175.52 176.05 3hpl h ALA 73 N 1.08 0.06 0.00 6.16 0.00 -0.66 -2.26 119.26 123.63 3hpl h ALA 73 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hpl h ALA 73 Cb 1.77 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3hpl h ALA 73 CO 0.10 0.33 0.00 0.25 0.00 0.00 0.00 179.25 179.94 3hpl n THR 74 N -4.23 0.14 -2.95 0.00 -2.24 -0.45 -4.02 114.28 100.53 3hpl n THR 74 Ca -0.11 0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 3hpl n THR 74 Cb 0.67 -0.79 0.01 0.00 -2.10 0.00 0.00 70.33 68.11 3hpl n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hpl n THR 75 N -1.07 -1.18 -0.04 4.28 -2.24 -0.85 -4.85 114.28 108.33 3hpl n THR 75 Ca 0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 3hpl n THR 75 Cb 0.07 -2.37 -0.14 0.00 -2.10 0.00 0.00 70.33 65.79 3hpl n THR 75 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hpl n VAL 76 N -3.96 1.60 -1.42 2.28 0.31 0.14 -4.99 118.33 112.28 3hpl n VAL 76 Ca -0.10 -0.75 -0.02 0.00 -0.01 0.00 0.00 64.34 63.47 3hpl n VAL 76 Cb 0.59 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 3hpl n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hpl n GLY 77 N 1.78 -0.01 0.30 2.92 0.00 0.65 -4.84 105.19 106.00 3hpl n GLY 77 Ca -0.27 0.05 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3hpl n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hpl h TYR 78 N 0.27 0.00 0.00 1.61 -1.99 -1.92 -3.46 116.97 111.48 3hpl h TYR 78 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3hpl h TYR 78 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 3hpl h TYR 78 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 3hpl n GLY 79 N -1.43 0.86 0.11 3.88 0.00 -1.26 -4.92 105.19 102.43 3hpl n GLY 79 Ca -0.01 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3hpl n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hpl n ASP 80 N 0.00 0.67 -3.67 1.61 5.75 -1.26 -4.67 116.55 114.98 3hpl n ASP 80 Ca 0.00 0.61 -0.10 0.00 -0.01 0.00 0.00 54.79 55.30 3hpl n ASP 80 Cb 0.00 -0.78 -0.09 0.00 -1.03 0.00 0.00 41.12 39.22 3hpl n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hpl s LEU 81 N -4.37 -0.38 -0.12 -2.12 1.43 -1.26 -5.08 118.68 106.77 3hpl s LEU 81 Ca 0.07 1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 3hpl s LEU 81 Cb 0.11 1.81 0.04 0.00 0.03 0.00 0.00 46.19 48.19 3hpl s LEU 81 CO 0.48 -0.21 0.47 -0.72 0.23 0.00 0.00 176.35 176.60 3hpl s TYR 82 N 1.26 -0.47 0.57 0.29 -0.85 -1.26 -4.95 117.35 111.94 3hpl s TYR 82 Ca -0.08 1.03 -0.19 0.00 -0.52 0.00 0.00 57.07 57.31 3hpl s TYR 82 Cb -0.06 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.43 3hpl s TYR 82 CO -0.12 -0.34 1.15 -1.25 -1.52 0.00 0.00 175.55 173.46 3hpl s PRO 83 N -0.34 3.18 0.00 -3.49 0.04 -1.26 -4.69 135.00 128.45 3hpl s PRO 83 Ca -0.05 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3hpl s PRO 83 Cb -0.03 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3hpl s PRO 83 CO 0.03 -0.99 0.00 1.33 0.04 0.00 0.00 177.00 177.41 3hpl n VAL 84 N -1.51 0.00 -2.78 -0.36 0.24 -1.26 -4.86 118.33 107.80 3hpl n VAL 84 Ca 0.12 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.34 61.97 3hpl n VAL 84 Cb 0.51 0.79 0.06 0.00 -1.47 0.00 0.00 33.84 33.73 3hpl n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hpl s THR 85 N -0.94 2.40 -0.03 3.34 -4.23 -1.26 -4.98 115.64 109.95 3hpl s THR 85 Ca 0.00 -0.78 -0.23 0.00 -1.18 0.00 0.00 61.69 59.50 3hpl s THR 85 Cb 0.00 -2.62 -0.23 0.00 1.34 0.00 0.00 72.50 70.99 3hpl s THR 85 CO 0.00 0.00 1.07 0.25 -0.54 0.00 0.00 174.62 175.40 3hpl h LEU 86 N -0.02 0.32 -0.80 4.79 5.85 -1.98 -2.11 115.31 121.37 3hpl h LEU 86 Ca -0.37 -0.75 -0.07 0.00 0.84 0.00 0.00 57.88 57.53 3hpl h LEU 86 Cb 1.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3hpl h LEU 86 CO 0.44 1.03 -0.34 -0.50 -0.34 0.00 0.00 178.44 178.73 3hpl h TRP 87 N -0.35 0.00 -0.23 1.25 4.06 -1.96 -0.78 115.95 117.94 3hpl h TRP 87 Ca -0.04 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 3hpl h TRP 87 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 3hpl h TRP 87 CO 0.16 0.34 0.02 0.78 -3.56 0.00 0.00 178.44 176.18 3hpl h GLY 88 N 2.38 0.42 1.67 1.49 0.00 -1.87 0.36 103.07 107.53 3hpl h GLY 88 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3hpl h GLY 88 CO 0.04 0.27 -0.27 3.21 0.00 0.00 0.00 176.54 179.79 3hpl h ARG 89 N 0.17 0.38 -0.16 4.80 3.08 -1.09 -0.40 114.38 121.16 3hpl h ARG 89 Ca 0.07 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3hpl h ARG 89 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3hpl h ARG 89 CO 0.01 0.63 0.02 0.00 -1.07 0.00 0.00 179.97 179.55 3hpl h VAL 91 N 0.03 0.71 -0.12 0.00 2.07 -0.58 -2.09 116.25 116.27 3hpl h VAL 91 Ca 0.05 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3hpl h VAL 91 Cb 0.33 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3hpl h VAL 91 CO 0.01 0.04 -0.23 0.00 0.02 0.00 0.00 177.57 177.40 3hpl h ALA 92 N 1.38 -0.54 -0.86 1.67 0.00 -0.35 -0.96 119.26 119.59 3hpl h ALA 92 Ca 0.24 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.30 3hpl h ALA 92 Cb 0.32 0.83 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 3hpl h ALA 92 CO -0.33 -0.64 -0.27 0.28 0.00 0.00 0.00 179.25 178.29 3hpl h VAL 93 N -0.19 0.10 -0.15 0.00 2.07 -0.32 0.78 116.25 118.54 3hpl h VAL 93 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3hpl h VAL 93 Cb 0.26 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 3hpl h VAL 93 CO -0.22 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 177.86 3hpl h VAL 94 N -0.02 0.73 -0.57 2.57 2.07 -0.70 -1.04 116.25 119.29 3hpl h VAL 94 Ca 0.38 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.95 3hpl h VAL 94 Cb 0.62 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3hpl h VAL 94 CO -0.89 0.00 0.30 0.58 0.02 0.00 0.00 177.57 177.58 3hpl h VAL 95 N -0.09 0.97 -0.20 2.57 2.07 0.33 -0.50 116.25 121.40 3hpl h VAL 95 Ca 0.09 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3hpl h VAL 95 Cb 0.21 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3hpl h VAL 95 CO -0.20 0.11 -0.20 0.24 0.02 0.00 0.00 177.57 177.53 3hpl h MET 96 N 0.58 -0.21 -0.20 1.57 2.07 -0.29 -1.65 114.93 116.79 3hpl h MET 96 Ca 0.25 0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.85 3hpl h MET 96 Cb 0.14 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.91 3hpl h MET 96 CO -0.16 -0.14 -0.07 0.28 1.07 0.00 0.00 176.91 177.88 3hpl h VAL 97 N -0.22 1.17 -0.43 -2.22 2.07 -0.30 0.18 116.25 116.49 3hpl h VAL 97 Ca 0.12 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 3hpl h VAL 97 Cb 0.41 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3hpl h VAL 97 CO -0.33 0.23 -0.10 0.00 0.02 0.00 0.00 177.57 177.39 3hpl h ALA 98 N 1.64 1.01 0.33 1.67 0.00 -0.51 -0.16 119.26 123.24 3hpl h ALA 98 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hpl h ALA 98 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hpl h ALA 98 CO 0.02 0.59 -0.16 0.78 0.00 0.00 0.00 179.25 180.48 3hpl h GLY 99 N 0.97 -0.46 2.00 0.00 0.00 -0.34 -1.53 103.07 103.71 3hpl h GLY 99 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3hpl h GLY 99 CO 0.04 -0.17 0.00 0.16 0.00 0.00 0.00 176.54 176.57 3hpl h ILE 100 N -0.85 0.00 0.00 2.60 3.07 -0.62 -2.10 117.51 119.62 3hpl h ILE 100 Ca -0.05 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.32 3hpl h ILE 100 Cb 0.52 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.01 3hpl h ILE 100 CO 0.07 0.00 -0.42 0.74 -1.05 0.00 0.00 178.15 177.50 3hpl h THR 101 N 0.00 0.00 -0.77 0.16 2.02 -0.94 -3.10 112.91 110.28 3hpl h THR 101 Ca 0.00 -0.99 0.15 0.00 0.77 0.00 0.00 66.41 66.35 3hpl h THR 101 Cb 0.05 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.31 3hpl h THR 101 CO 0.00 0.00 -0.19 0.28 0.37 0.00 0.00 175.52 175.98 3hpl h SER 102 N -0.99 -0.70 -0.29 4.18 0.02 -1.26 0.81 113.55 115.32 3hpl h SER 102 Ca 0.00 0.23 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 3hpl h SER 102 Cb 0.42 0.47 -0.07 0.00 0.14 0.00 0.00 62.40 63.36 3hpl h SER 102 CO 0.00 -0.25 -0.53 0.00 -1.14 0.00 0.00 176.83 174.91 3hpl h ALA 103 N 1.77 -0.81 -0.85 3.77 0.00 -1.54 0.44 119.26 122.04 3hpl h ALA 103 Ca 0.37 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3hpl h ALA 103 Cb 0.57 1.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 3hpl h ALA 103 CO -0.79 -1.04 0.56 0.78 0.00 0.00 0.00 179.25 178.77 3hpl h GLY 104 N -0.45 1.20 1.80 0.00 0.00 -0.47 -1.43 103.07 103.72 3hpl h GLY 104 Ca 0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 3hpl h GLY 104 CO -0.51 0.38 -0.46 -2.00 0.00 0.00 0.00 176.54 173.95 3hpl h LEU 105 N 1.08 0.24 -0.58 3.11 6.46 0.20 0.23 115.31 126.05 3hpl h LEU 105 Ca 0.33 -0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.83 3hpl h LEU 105 Cb -0.02 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3hpl h LEU 105 CO -0.09 0.66 -0.50 0.58 -0.62 0.00 0.00 178.44 178.47 3hpl h VAL 106 N 0.18 1.32 0.17 1.05 2.07 0.55 -1.13 116.25 120.46 3hpl h VAL 106 Ca 0.01 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 3hpl h VAL 106 Cb 0.88 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3hpl h VAL 106 CO 0.07 0.54 -0.08 0.74 0.02 0.00 0.00 177.57 178.86 3hpl h THR 107 N 0.42 0.96 -0.80 2.57 2.02 -0.82 0.74 112.91 118.00 3hpl h THR 107 Ca 0.02 -0.76 0.17 0.00 0.77 0.00 0.00 66.41 66.61 3hpl h THR 107 Cb 1.03 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 3hpl h THR 107 CO 0.09 0.17 0.54 0.00 0.37 0.00 0.00 175.52 176.69 3hpl h ALA 108 N 0.13 2.18 -0.33 6.16 0.00 -0.54 0.42 119.26 127.28 3hpl h ALA 108 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hpl h ALA 108 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hpl h ALA 108 CO 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.87 3hpl n ALA 109 N -2.53 -0.31 -0.30 0.00 0.00 -0.43 -2.50 120.51 114.44 3hpl n ALA 109 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.68 3hpl n ALA 109 Cb 0.61 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.23 3hpl n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hpl n LEU 110 N -1.83 -0.21 0.03 0.00 4.77 0.22 0.14 117.00 120.12 3hpl n LEU 110 Ca 0.00 1.44 -0.14 0.00 -0.03 0.00 0.00 56.01 57.28 3hpl n LEU 110 Cb 0.00 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 3hpl n LEU 110 CO 0.00 -1.42 0.51 0.00 -1.33 0.00 0.00 177.39 175.15 3hpl h ALA 111 N 1.69 -0.89 -0.71 -1.18 0.00 -0.22 -1.83 119.26 116.12 3hpl h ALA 111 Ca 0.45 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.43 3hpl h ALA 111 Cb 0.81 0.93 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 3hpl h ALA 111 CO -0.84 -1.04 0.23 1.15 0.00 0.00 0.00 179.25 178.75 3hpl h THR 112 N -0.58 0.62 -0.27 0.00 2.02 0.01 -0.86 112.91 113.85 3hpl h THR 112 Ca 0.02 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.12 3hpl h THR 112 Cb 0.64 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3hpl h THR 112 CO -0.35 0.07 0.02 -0.25 0.37 0.00 0.00 175.52 175.37 3hpl h TRP 113 N 0.36 0.02 -0.10 3.16 7.01 -0.83 0.61 115.95 126.17 3hpl h TRP 113 Ca 0.39 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.33 3hpl h TRP 113 Cb 0.61 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3hpl h TRP 113 CO -0.21 -0.03 -0.29 0.74 -2.79 0.00 0.00 178.44 175.87 3hpl h PHE 114 N 0.10 0.21 -0.23 2.65 0.04 -0.56 0.97 116.94 120.12 3hpl h PHE 114 Ca 0.13 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.70 3hpl h PHE 114 Cb 0.16 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 3hpl h PHE 114 CO -0.20 0.47 -0.50 0.28 -0.60 0.00 0.00 178.31 177.77 3hpl h VAL 115 N 0.17 1.30 0.20 -0.55 2.07 -0.45 0.10 116.25 119.10 3hpl h VAL 115 Ca 0.02 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 3hpl h VAL 115 Cb 0.61 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3hpl h VAL 115 CO 0.04 0.54 -0.10 1.23 0.02 0.00 0.00 177.57 179.31 3hpl h GLY 116 N 0.99 -0.29 -0.38 2.17 0.00 -0.55 -1.82 103.07 103.19 3hpl h GLY 116 Ca 0.02 0.11 0.15 0.00 0.00 0.00 0.00 47.33 47.61 3hpl h GLY 116 CO 0.10 -0.10 -0.12 -0.09 0.00 0.00 0.00 176.54 176.33 3hpl h ARG 117 N -0.86 0.03 -0.48 4.80 2.43 -0.83 0.25 114.38 119.72 3hpl h ARG 117 Ca -0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hpl h ARG 117 Cb 0.51 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3hpl h ARG 117 CO 0.05 0.02 0.25 1.49 -1.51 0.00 0.00 179.97 180.27 3hpl h GLU 118 N 0.03 0.65 -3.74 0.20 4.57 -0.76 -3.28 114.58 112.24 3hpl h GLU 118 Ca 0.36 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.31 3hpl h GLU 118 Cb 0.58 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3hpl h GLU 118 CO -0.70 0.49 1.71 1.04 -1.18 0.00 0.00 179.01 180.37 3hpl n GLN 119 N -4.41 0.93 0.00 1.92 1.13 0.86 -5.07 117.38 112.74 3hpl n GLN 119 Ca 0.04 -0.92 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 3hpl n GLN 119 Cb 0.10 -2.20 0.00 0.00 0.11 0.00 0.00 30.24 28.26 3hpl n GLN 119 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01