#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n LYS 70 N 0.00 -1.54 0.00 3.23 4.76 -1.26 -4.63 118.16 118.72 3hox n LYS 70 Ca 0.00 0.98 0.11 0.00 -2.87 0.00 0.00 58.31 56.53 3hox n LYS 70 Cb 0.00 -5.34 0.06 0.00 -1.84 0.00 0.00 35.03 27.90 3hox n LYS 70 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hox n GLU 71 N -1.43 1.83 0.00 1.97 1.02 -1.26 -3.49 120.64 119.28 3hox n GLU 71 Ca -0.14 -1.52 0.12 0.00 -0.02 0.00 0.00 57.16 55.60 3hox n GLU 71 Cb 0.60 -1.43 0.12 0.00 -0.02 0.00 0.00 31.44 30.70 3hox n GLU 71 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hox n LYS 72 N 0.80 1.65 -3.02 3.49 2.85 -1.26 -4.84 118.16 117.82 3hox n LYS 72 Ca 0.11 -1.32 -0.42 0.00 -1.05 0.00 0.00 58.31 55.64 3hox n LYS 72 Cb 0.52 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.37 3hox n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hox s ALA 73 N -2.25 3.44 0.08 0.58 0.00 -1.23 -1.65 121.76 120.73 3hox s ALA 73 Ca 0.24 -0.73 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 3hox s ALA 73 Cb 0.19 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 3hox s ALA 73 CO 0.44 -1.42 0.87 0.42 0.00 0.00 0.00 175.76 176.07 3hox s ILE 74 N 2.94 4.61 0.34 0.00 1.01 -0.67 -4.97 121.20 124.45 3hox s ILE 74 Ca 0.28 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.51 3hox s ILE 74 Cb -0.14 -4.22 -0.12 0.00 0.01 0.00 0.00 42.46 37.99 3hox s ILE 74 CO 0.16 0.34 1.40 -0.81 0.00 0.00 0.00 174.94 176.03 3hox n PRO 75 N 2.80 2.38 -0.41 2.79 -0.04 -1.26 -4.62 135.00 136.64 3hox n PRO 75 Ca 0.00 0.84 0.40 0.00 -0.04 0.00 0.00 63.50 64.69 3hox n PRO 75 Cb 0.50 -2.50 0.76 0.00 -0.04 0.00 0.00 33.50 32.21 3hox n PRO 75 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hox h LYS 76 N 3.10 0.00 -5.60 0.54 1.63 -1.95 -3.24 116.57 111.04 3hox h LYS 76 Ca -0.48 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 58.70 3hox h LYS 76 Cb 1.26 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.81 3hox h LYS 76 CO 0.66 0.00 -0.39 0.34 -3.45 0.00 0.00 179.45 176.61 3hox s ASP 77 N -4.70 6.45 0.00 4.20 2.15 -1.26 -4.11 116.67 119.39 3hox s ASP 77 Ca -0.05 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.46 3hox s ASP 77 Cb 0.23 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 3hox s ASP 77 CO 0.80 0.27 0.00 0.00 -0.17 0.00 0.00 175.17 176.07 3hox n GLN 78 N 2.67 0.00 -1.47 4.34 6.02 -1.23 -5.07 117.38 122.63 3hox n GLN 78 Ca -0.16 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.49 3hox n GLN 78 Cb 0.53 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.88 3hox n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hox s ARG 79 N -0.79 2.23 0.00 -1.09 3.00 -1.23 -4.94 118.95 116.14 3hox s ARG 79 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 55.73 57.41 3hox s ARG 79 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 34.95 33.10 3hox s ARG 79 CO 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 175.30 173.56 3hox n ALA 80 N -2.71 0.81 -1.73 2.13 0.00 -1.26 -5.08 120.51 112.67 3hox n ALA 80 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 3hox n ALA 80 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3hox n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hox n THR 81 N -0.45 2.18 -0.79 0.00 -2.24 -1.26 -4.82 114.28 106.90 3hox n THR 81 Ca 0.00 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 61.00 3hox n THR 81 Cb 0.00 -1.72 -0.02 0.00 -2.10 0.00 0.00 70.33 66.49 3hox n THR 81 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hox n THR 82 N 0.21 0.80 0.18 4.28 -1.04 -1.26 -4.82 114.28 112.63 3hox n THR 82 Ca 0.04 -0.20 0.04 0.00 -2.04 0.00 0.00 64.05 61.89 3hox n THR 82 Cb 0.38 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 69.24 3hox n THR 82 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3hox h PRO 83 N 0.86 0.00 -7.58 -2.82 0.11 -2.00 -3.45 132.00 117.12 3hox h PRO 83 Ca -0.19 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.47 3hox h PRO 83 Cb 0.79 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.03 3hox h PRO 83 CO 0.33 0.40 0.33 0.71 -0.21 0.00 0.00 178.00 179.55 3hox s TYR 84 N -3.84 1.89 -0.18 0.65 1.51 -1.26 -2.24 117.35 113.87 3hox s TYR 84 Ca -0.01 0.24 -0.08 0.00 -1.01 0.00 0.00 57.07 56.21 3hox s TYR 84 Cb 0.13 -3.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.24 3hox s TYR 84 CO 0.70 -2.20 0.07 1.41 -1.11 0.00 0.00 175.55 174.42 3hox s MET 85 N -5.61 3.97 0.73 -0.62 -2.45 -0.92 -4.66 119.30 109.74 3hox s MET 85 Ca 0.69 -0.33 -0.15 0.00 -1.25 0.00 0.00 55.69 54.66 3hox s MET 85 Cb -0.06 -3.22 0.04 0.00 1.25 0.00 0.00 34.83 32.84 3hox s MET 85 CO 0.50 0.30 1.20 0.95 1.05 0.00 0.00 175.02 179.02 3hox s THR 86 N 0.30 2.34 0.55 10.11 -4.23 -1.26 -4.81 115.64 118.64 3hox s THR 86 Ca 0.04 0.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.95 3hox s THR 86 Cb -0.12 -2.72 0.32 0.00 1.34 0.00 0.00 72.50 71.32 3hox s THR 86 CO -0.00 -0.09 2.18 0.07 -0.54 0.00 0.00 174.62 176.24 3hox h LYS 87 N -0.35 0.00 0.17 3.99 2.10 -2.00 -2.55 116.57 117.93 3hox h LYS 87 Ca -0.47 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 3hox h LYS 87 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3hox h LYS 87 CO 0.50 0.00 -0.08 1.88 -2.00 0.00 0.00 179.45 179.74 3hox h TYR 88 N 0.00 -0.22 0.00 0.07 -1.99 -1.99 -2.86 116.97 109.98 3hox h TYR 88 Ca 0.02 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3hox h TYR 88 Cb 0.10 0.07 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3hox h TYR 88 CO 0.00 -0.13 0.00 0.39 -0.00 0.00 0.00 178.16 178.42 3hox n GLU 89 N -3.66 0.00 -0.19 4.88 1.02 -1.04 0.40 120.64 122.05 3hox n GLU 89 Ca -0.03 0.58 -0.05 0.00 -0.02 0.00 0.00 57.16 57.64 3hox n GLU 89 Cb 0.09 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 3hox n GLU 89 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3hox h ARG 90 N 0.00 -0.17 -0.64 3.49 0.11 -1.61 0.69 114.38 116.26 3hox h ARG 90 Ca 0.00 0.01 0.13 0.00 0.10 0.00 0.00 59.98 60.22 3hox h ARG 90 Cb 0.00 0.04 -0.12 0.00 1.11 0.00 0.00 29.97 31.00 3hox h ARG 90 CO 0.00 -0.11 -0.18 0.00 0.10 0.00 0.00 179.97 179.78 3hox h ALA 91 N 0.97 0.39 0.00 0.08 0.00 -0.10 0.51 119.26 121.11 3hox h ALA 91 Ca 0.22 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 3hox h ALA 91 Cb 0.55 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hox h ALA 91 CO -0.66 -0.44 -0.23 -0.09 0.00 0.00 0.00 179.25 177.83 3hox h ARG 92 N -0.02 0.00 0.06 0.00 9.65 0.51 -0.00 114.38 124.58 3hox h ARG 92 Ca 0.30 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.18 3hox h ARG 92 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3hox h ARG 92 CO -0.67 0.23 -0.03 0.82 2.80 0.00 0.00 179.97 183.12 3hox h ILE 93 N 0.00 1.12 -0.38 1.20 5.03 0.41 -2.51 117.51 122.38 3hox h ILE 93 Ca -0.00 -1.56 0.08 0.00 -0.12 0.00 0.00 64.86 63.26 3hox h ILE 93 Cb 0.44 2.00 -0.09 0.00 -3.03 0.00 0.00 36.82 36.15 3hox h ILE 93 CO 0.03 0.34 -0.24 -0.07 -0.68 0.00 0.00 178.15 177.53 3hox h LEU 94 N -0.90 -0.79 0.34 1.44 3.38 -0.06 0.17 115.31 118.90 3hox h LEU 94 Ca -0.01 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hox h LEU 94 Cb 0.61 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3hox h LEU 94 CO 0.01 -0.26 -0.31 1.23 0.09 0.00 0.00 178.44 179.20 3hox h GLY 95 N -0.18 -0.73 -0.15 0.83 0.00 -1.11 -0.12 103.07 101.62 3hox h GLY 95 Ca 0.18 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.91 3hox h GLY 95 CO -0.48 -0.27 -0.49 -0.84 0.00 0.00 0.00 176.54 174.45 3hox h THR 96 N -0.67 0.06 -0.59 4.70 2.02 -0.95 0.19 112.91 117.67 3hox h THR 96 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 3hox h THR 96 Cb 0.60 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3hox h THR 96 CO -0.04 0.00 0.41 -0.09 0.37 0.00 0.00 175.52 176.16 3hox h ARG 97 N -0.50 0.25 0.08 6.66 9.65 -0.54 0.02 114.38 130.00 3hox h ARG 97 Ca 0.07 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3hox h ARG 97 Cb 0.64 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 3hox h ARG 97 CO -0.47 0.16 -0.04 0.00 2.80 0.00 0.00 179.97 182.42 3hox h ALA 98 N 1.71 -0.11 -0.61 2.80 0.00 0.86 0.69 119.26 124.59 3hox h ALA 98 Ca 0.28 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3hox h ALA 98 Cb 0.76 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 3hox h ALA 98 CO -0.06 -0.33 -0.11 1.25 0.00 0.00 0.00 179.25 180.00 3hox h LEU 99 N -0.57 -0.49 -0.25 0.00 5.85 0.83 0.72 115.31 121.39 3hox h LEU 99 Ca -0.01 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hox h LEU 99 Cb 0.48 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hox h LEU 99 CO 0.02 -0.18 0.10 1.56 -0.34 0.00 0.00 178.44 179.60 3hox h GLN 100 N 0.03 0.37 -0.77 1.25 4.20 -0.94 0.51 115.11 119.76 3hox h GLN 100 Ca 0.30 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 3hox h GLN 100 Cb 0.47 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3hox h GLN 100 CO -0.61 0.41 0.45 0.82 -0.67 0.00 0.00 178.83 179.23 3hox h ILE 101 N 0.25 1.22 0.00 2.54 2.04 0.78 0.21 117.51 124.55 3hox h ILE 101 Ca 0.08 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3hox h ILE 101 Cb 0.18 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3hox h ILE 101 CO -0.01 0.23 0.00 0.77 0.00 0.00 0.00 178.15 179.15 3hox h SER 102 N 1.06 0.00 -0.01 1.72 4.64 0.81 -1.42 113.55 120.34 3hox h SER 102 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3hox h SER 102 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3hox h SER 102 CO -0.05 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.14 3hox n MET 103 N -2.98 1.29 -1.83 4.77 2.81 0.67 -4.89 117.12 116.96 3hox n MET 103 Ca 0.01 -0.41 0.00 0.00 -1.81 0.00 0.00 57.70 55.49 3hox n MET 103 Cb 0.32 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3hox n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3hox n ASN 104 N -0.49 -1.01 -4.89 7.83 3.02 -0.53 -5.04 115.26 114.15 3hox n ASN 104 Ca 0.21 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.47 3hox n ASN 104 Cb 0.21 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 38.97 3hox n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hox s ALA 105 N -2.13 3.08 0.46 5.41 0.00 -0.68 -5.01 121.76 122.88 3hox s ALA 105 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.37 3hox s ALA 105 Cb 0.00 -2.93 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 3hox s ALA 105 CO 0.00 -0.87 1.34 -1.25 0.00 0.00 0.00 175.76 174.98 3hox s PRO 106 N -5.18 3.67 -0.15 0.00 0.04 -1.26 -4.73 135.00 127.39 3hox s PRO 106 Ca 0.55 2.21 -0.04 0.00 0.04 0.00 0.00 61.00 63.76 3hox s PRO 106 Cb -0.11 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 3hox s PRO 106 CO 0.51 -0.75 -0.02 0.08 0.04 0.00 0.00 177.00 176.85 3hox s VAL 107 N -1.29 4.03 -1.24 -0.36 1.01 -1.26 -4.92 120.40 116.38 3hox s VAL 107 Ca 0.62 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.39 3hox s VAL 107 Cb -0.39 -2.76 0.42 0.00 0.00 0.00 0.00 36.38 33.65 3hox s VAL 107 CO 0.49 0.51 1.25 0.49 0.00 0.00 0.00 175.10 177.84 3hox n PHE 108 N 3.31 0.90 -4.24 5.22 3.01 -1.26 -4.89 117.46 119.50 3hox n PHE 108 Ca -0.17 -0.35 -0.13 0.00 1.01 0.00 0.00 57.45 57.80 3hox n PHE 108 Cb 0.53 -0.18 -0.10 0.00 -0.01 0.00 0.00 39.48 39.71 3hox n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hox s VAL 109 N -1.74 0.40 -0.09 -4.37 1.01 -1.26 -4.98 120.40 109.37 3hox s VAL 109 Ca 0.30 -1.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.02 3hox s VAL 109 Cb 0.19 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3hox s VAL 109 CO 0.14 -0.26 0.94 -1.81 0.00 0.00 0.00 175.10 174.11 3hox s ASP 110 N -3.18 7.19 -0.39 3.32 1.01 -1.26 -4.94 116.67 118.42 3hox s ASP 110 Ca 0.30 1.46 -0.29 0.00 0.71 0.00 0.00 52.55 54.74 3hox s ASP 110 Cb 0.07 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3hox s ASP 110 CO 0.08 -0.37 1.47 -0.76 0.21 0.00 0.00 175.17 175.79 3hox s LEU 111 N 1.73 3.59 -0.76 1.23 1.02 -1.26 -4.80 118.68 119.43 3hox s LEU 111 Ca 0.46 0.92 -0.08 0.00 0.02 0.00 0.00 54.13 55.45 3hox s LEU 111 Cb -0.18 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.42 3hox s LEU 111 CO 0.19 -1.46 1.93 1.21 0.02 0.00 0.00 176.35 178.24 3hox n GLU 112 N 8.09 1.69 -0.09 1.70 4.07 -1.26 -3.96 120.64 130.89 3hox n GLU 112 Ca 0.17 -1.40 0.00 0.00 -0.06 0.00 0.00 57.16 55.87 3hox n GLU 112 Cb 0.48 -2.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 3hox n GLU 112 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hox n GLY 113 N 3.95 2.04 3.41 8.31 0.00 -1.26 -4.96 105.19 116.67 3hox n GLY 113 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 3hox n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hox n GLU 114 N -2.00 0.19 0.00 1.61 -0.58 -1.25 -4.95 120.64 113.65 3hox n GLU 114 Ca 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3hox n GLU 114 Cb 0.00 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 3hox n GLU 114 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3hox n THR 115 N -2.45 0.00 -3.84 2.62 -2.24 -1.26 -4.92 114.28 102.19 3hox n THR 115 Ca 0.09 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.51 3hox n THR 115 Cb 0.50 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 3hox n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hox s ASP 116 N 0.00 6.07 0.22 3.42 -1.08 -1.26 -5.01 116.67 119.03 3hox s ASP 116 Ca 0.00 0.23 -0.08 0.00 -0.52 0.00 0.00 52.55 52.17 3hox s ASP 116 Cb 0.00 -2.04 0.33 0.00 -1.46 0.00 0.00 42.92 39.75 3hox s ASP 116 CO 0.00 0.22 1.74 1.55 0.52 0.00 0.00 175.17 179.19 3hox h PRO 117 N 6.40 0.40 0.00 4.34 0.13 -1.95 0.70 132.00 142.02 3hox h PRO 117 Ca -0.42 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3hox h PRO 117 Cb 1.17 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hox h PRO 117 CO 0.72 0.27 -0.08 1.25 -0.23 0.00 0.00 178.00 179.92 3hox h LEU 118 N 0.41 0.00 0.44 1.56 5.85 -1.91 0.65 115.31 122.31 3hox h LEU 118 Ca 0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 3hox h LEU 118 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3hox h LEU 118 CO -0.34 0.08 -0.21 0.03 -0.34 0.00 0.00 178.44 177.66 3hox h ARG 119 N 0.00 -0.57 -0.90 1.25 -0.00 -1.33 -0.76 114.38 112.06 3hox h ARG 119 Ca -0.00 0.04 0.17 0.00 -0.50 0.00 0.00 59.98 59.69 3hox h ARG 119 Cb 0.22 0.13 -0.10 0.00 0.00 0.00 0.00 29.97 30.22 3hox h ARG 119 CO 0.01 -0.34 0.49 0.82 0.00 0.00 0.00 179.97 180.95 3hox h ILE 120 N -1.12 0.69 0.17 2.04 2.04 -0.78 0.13 117.51 120.68 3hox h ILE 120 Ca -0.06 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3hox h ILE 120 Cb 0.49 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3hox h ILE 120 CO 0.10 0.12 -0.15 0.00 0.00 0.00 0.00 178.15 178.21 3hox h ALA 121 N 1.60 -0.89 -0.75 1.87 0.00 0.33 0.16 119.26 121.59 3hox h ALA 121 Ca 0.51 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.53 3hox h ALA 121 Cb 0.78 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 3hox h ALA 121 CO -0.39 -0.90 -0.02 0.52 0.00 0.00 0.00 179.25 178.47 3hox h MET 122 N -0.32 0.09 -0.60 0.00 2.86 -0.13 0.82 114.93 117.64 3hox h MET 122 Ca -0.02 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 3hox h MET 122 Cb 0.27 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3hox h MET 122 CO -0.01 0.06 0.33 -0.22 1.06 0.00 0.00 176.91 178.12 3hox h LYS 123 N 0.09 0.61 -0.30 1.72 3.64 -0.40 0.29 116.57 122.22 3hox h LYS 123 Ca 0.41 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.78 3hox h LYS 123 Cb 0.71 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3hox h LYS 123 CO -0.68 0.40 0.11 0.93 -2.27 0.00 0.00 179.45 177.95 3hox h GLU 124 N 0.63 0.25 0.00 1.90 5.08 0.17 -1.95 114.58 120.65 3hox h GLU 124 Ca 0.27 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3hox h GLU 124 Cb 0.15 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hox h GLU 124 CO -0.16 0.16 -0.05 1.25 -1.00 0.00 0.00 179.01 179.21 3hox h LEU 125 N 0.25 0.00 0.00 1.33 6.46 -0.04 -0.38 115.31 122.94 3hox h LEU 125 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 3hox h LEU 125 Cb 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3hox h LEU 125 CO -0.12 0.05 -0.24 0.00 -0.62 0.00 0.00 178.44 177.51 3hox h ALA 126 N 1.95 0.85 -0.37 1.25 0.00 0.31 -2.89 119.26 120.37 3hox h ALA 126 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3hox h ALA 126 Cb 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.98 3hox h ALA 126 CO 0.01 0.00 -0.42 0.39 0.00 0.00 0.00 179.25 179.23 3hox n GLU 127 N -2.31 2.31 -2.41 0.00 1.02 -0.89 -4.96 120.64 113.41 3hox n GLU 127 Ca 0.04 -3.54 -0.04 0.00 -0.02 0.00 0.00 57.16 53.61 3hox n GLU 127 Cb 0.45 -1.90 -0.01 0.00 -0.02 0.00 0.00 31.44 29.95 3hox n GLU 127 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hox n LYS 128 N -0.99 -0.98 -1.95 3.49 4.81 -1.02 -4.74 118.16 116.78 3hox n LYS 128 Ca 0.33 0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.44 3hox n LYS 128 Cb 0.87 -0.45 0.04 0.00 0.02 0.00 0.00 35.03 35.51 3hox n LYS 128 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3hox n LYS 129 N -1.23 3.01 -3.86 1.64 5.02 -0.20 -4.60 118.16 117.93 3hox n LYS 129 Ca -0.02 -3.79 -0.36 0.00 -2.02 0.00 0.00 58.31 52.12 3hox n LYS 129 Cb 0.07 -2.27 -0.14 0.00 -0.02 0.00 0.00 35.03 32.67 3hox n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hox s ILE 130 N -5.09 3.56 -0.10 -0.18 1.01 -1.26 -4.75 121.20 114.40 3hox s ILE 130 Ca 0.54 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 3hox s ILE 130 Cb 0.44 -2.70 -0.20 0.00 0.01 0.00 0.00 42.46 40.01 3hox s ILE 130 CO -0.23 0.31 2.93 -0.81 0.00 0.00 0.00 174.94 177.14 3hox n PRO 131 N 4.81 1.68 -4.37 2.79 -0.04 -1.26 -4.50 135.00 134.12 3hox n PRO 131 Ca -0.17 -0.87 -0.26 0.00 -0.04 0.00 0.00 63.50 62.16 3hox n PRO 131 Cb 0.50 -1.95 -0.12 0.00 -0.04 0.00 0.00 33.50 31.88 3hox n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hox s LEU 132 N 0.01 2.37 -0.07 1.53 1.43 -1.26 -5.07 118.68 117.61 3hox s LEU 132 Ca 0.53 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3hox s LEU 132 Cb 0.24 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.40 3hox s LEU 132 CO -0.00 0.10 -0.17 -0.69 0.23 0.00 0.00 176.35 175.82 3hox s VAL 133 N -1.41 1.52 -0.36 -1.59 1.01 -1.26 -2.21 120.40 116.10 3hox s VAL 133 Ca 0.14 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3hox s VAL 133 Cb -0.09 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3hox s VAL 133 CO 0.07 0.44 0.38 -0.63 0.00 0.00 0.00 175.10 175.36 3hox s ILE 134 N 0.45 5.15 -0.31 2.22 1.01 -0.35 -4.94 121.20 124.42 3hox s ILE 134 Ca -0.14 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3hox s ILE 134 Cb -0.16 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3hox s ILE 134 CO 0.05 -0.16 0.55 -0.60 0.00 0.00 0.00 174.94 174.79 3hox s ARG 135 N 2.05 3.84 -0.44 2.79 3.52 -1.26 -2.04 118.95 127.40 3hox s ARG 135 Ca 0.12 0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.68 3hox s ARG 135 Cb -0.17 -3.74 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 3hox s ARG 135 CO 0.12 -0.54 0.45 1.03 -0.81 0.00 0.00 175.30 175.55 3hox s ARG 136 N 2.45 3.07 -0.07 5.12 0.52 0.64 -4.92 118.95 125.77 3hox s ARG 136 Ca 0.22 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 3hox s ARG 136 Cb -0.15 -4.02 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 3hox s ARG 136 CO 0.12 -0.93 0.79 0.71 0.02 0.00 0.00 175.30 176.00 3hox s TYR 137 N 2.09 3.57 0.31 -0.53 1.51 -1.26 -1.62 117.35 121.43 3hox s TYR 137 Ca 0.10 1.36 -0.15 0.00 -1.01 0.00 0.00 57.07 57.37 3hox s TYR 137 Cb -0.19 -2.91 -0.09 0.00 -0.11 0.00 0.00 41.96 38.66 3hox s TYR 137 CO 0.12 0.01 0.72 -0.51 -1.11 0.00 0.00 175.55 174.78 3hox s LEU 138 N 1.06 4.08 0.00 -1.29 1.43 -0.47 -4.91 118.68 118.59 3hox s LEU 138 Ca 0.41 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3hox s LEU 138 Cb -0.18 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.01 3hox s LEU 138 CO 0.20 -0.19 0.00 -0.81 0.23 0.00 0.00 176.35 175.78 3hox n PRO 139 N -0.30 0.00 0.00 1.29 -0.04 -1.26 -1.59 135.00 133.09 3hox n PRO 139 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3hox n PRO 139 Cb 0.53 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3hox n PRO 139 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hox n ASP 140 N 1.16 0.00 0.00 3.54 5.75 -1.26 -5.02 116.55 120.72 3hox n ASP 140 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3hox n ASP 140 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3hox n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hox n GLY 141 N 0.00 0.85 3.35 6.12 0.00 -0.62 -5.11 105.19 109.79 3hox n GLY 141 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hox n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hox n SER 142 N 0.00 -2.20 -3.61 1.61 7.64 -1.26 -4.73 113.62 111.07 3hox n SER 142 Ca 0.00 -0.19 -0.08 0.00 1.01 0.00 0.00 58.87 59.61 3hox n SER 142 Cb 0.00 -1.09 -0.06 0.00 -1.01 0.00 0.00 64.21 62.06 3hox n SER 142 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3hox s PHE 143 N -2.30 -0.32 -0.01 1.43 -0.12 -0.66 -1.37 117.98 114.64 3hox s PHE 143 Ca 0.62 0.64 0.08 0.00 -0.05 0.00 0.00 56.93 58.23 3hox s PHE 143 Cb -0.18 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 3hox s PHE 143 CO 0.66 -0.24 -0.26 -1.21 -0.05 0.00 0.00 175.22 174.12 3hox s GLU 144 N -0.65 2.06 -0.16 1.99 2.02 -0.64 -1.68 118.70 121.65 3hox s GLU 144 Ca 0.02 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 53.98 3hox s GLU 144 Cb -0.02 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3hox s GLU 144 CO -0.03 0.55 0.06 -0.51 0.02 0.00 0.00 175.26 175.35 3hox s ASP 145 N -0.74 5.61 0.19 -0.19 1.11 -1.26 -0.26 116.67 121.12 3hox s ASP 145 Ca 0.10 0.11 0.07 0.00 0.18 0.00 0.00 52.55 53.02 3hox s ASP 145 Cb -0.10 -1.90 -0.05 0.00 1.07 0.00 0.00 42.92 41.94 3hox s ASP 145 CO -0.00 0.22 -0.14 0.26 1.18 0.00 0.00 175.17 176.69 3hox s TRP 146 N 0.08 1.65 0.04 4.23 0.52 -0.87 -4.94 118.94 119.66 3hox s TRP 146 Ca 0.05 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.62 3hox s TRP 146 Cb -0.12 -0.78 -0.04 0.00 -1.15 0.00 0.00 33.47 31.38 3hox s TRP 146 CO 0.01 0.32 -0.07 -1.54 0.02 0.00 0.00 176.95 175.69 3hox s SER 147 N -3.24 4.61 0.39 2.95 1.04 -1.26 -1.21 113.70 116.97 3hox s SER 147 Ca 0.21 -0.21 0.13 0.00 0.48 0.00 0.00 55.95 56.56 3hox s SER 147 Cb -0.01 -1.03 0.95 0.00 0.10 0.00 0.00 66.02 66.04 3hox s SER 147 CO 0.06 0.24 1.86 -0.37 0.98 0.00 0.00 173.24 176.01 3hox h VAL 148 N 3.50 0.74 0.00 5.02 -1.51 -1.67 -0.52 116.25 121.81 3hox h VAL 148 Ca -0.48 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 3hox h VAL 148 Cb 1.17 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3hox h VAL 148 CO 0.54 0.10 0.00 -0.62 -1.23 0.00 0.00 177.57 176.36 3hox n GLU 149 N -4.55 0.00 0.00 5.19 1.02 -1.26 -3.54 120.64 117.50 3hox n GLU 149 Ca 0.19 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3hox n GLU 149 Cb 0.59 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 3hox n GLU 149 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hox n GLU 150 N -1.63 0.00 -1.26 3.49 1.02 -0.29 -4.69 120.64 117.27 3hox n GLU 150 Ca 0.00 0.88 -0.45 0.00 -0.02 0.00 0.00 57.16 57.57 3hox n GLU 150 Cb 0.00 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 3hox n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hox n LEU 151 N -2.87 -0.75 -4.87 -4.62 4.77 -0.66 -4.96 117.00 103.04 3hox n LEU 151 Ca 0.00 1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 56.68 3hox n LEU 151 Cb 0.00 -0.83 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 3hox n LEU 151 CO 0.00 -2.33 0.73 -0.63 -1.33 0.00 0.00 177.39 173.84 3hox s ILE 152 N -0.60 4.01 -0.44 -0.08 1.01 -0.95 -4.86 121.20 119.29 3hox s ILE 152 Ca 0.64 0.65 0.08 0.00 0.00 0.00 0.00 60.65 62.03 3hox s ILE 152 Cb -0.91 -3.62 0.28 0.00 0.01 0.00 0.00 42.46 38.22 3hox s ILE 152 CO 0.50 -0.85 0.65 1.33 0.00 0.00 0.00 174.94 176.57 3hox n VAL 153 N -2.93 0.31 0.17 2.92 0.24 -1.26 -2.16 118.33 115.62 3hox n VAL 153 Ca 0.07 -4.52 -0.11 0.00 -2.04 0.00 0.00 64.34 57.74 3hox n VAL 153 Cb 0.56 -1.48 -0.07 0.00 -1.47 0.00 0.00 33.84 31.38 3hox n VAL 153 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3hox h ASP 154 N 3.67 -0.41 0.00 -1.34 1.82 -1.96 -3.51 116.42 114.70 3hox h ASP 154 Ca 0.11 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3hox h ASP 154 Cb 0.83 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.95 3hox h ASP 154 CO 0.57 0.02 0.00 0.18 -1.61 0.00 0.00 179.24 178.40