#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f72 s TYR 12 N 0.00 2.90 -1.28 1.61 6.04 -1.26 -4.79 117.35 120.58 3f72 s TYR 12 Ca 0.00 -0.78 -0.10 0.00 0.04 0.00 0.00 57.07 56.24 3f72 s TYR 12 Cb 0.00 -1.97 -0.00 0.00 -1.04 0.00 0.00 41.96 38.95 3f72 s TYR 12 CO 0.00 -0.36 0.61 -3.47 -1.54 0.00 0.00 175.55 170.79 3f72 n ASP 13 N 4.11 -2.60 0.25 4.32 2.03 -1.26 -4.86 116.55 118.55 3f72 n ASP 13 Ca -0.18 -1.00 0.15 0.00 0.52 0.00 0.00 54.79 54.27 3f72 n ASP 13 Cb 0.52 -3.27 0.55 0.00 -0.72 0.00 0.00 41.12 38.20 3f72 n ASP 13 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3f72 h GLU 14 N -1.89 0.00 0.00 -0.67 4.57 -2.01 -3.29 114.58 111.29 3f72 h GLU 14 Ca -0.65 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 3f72 h GLU 14 Cb 1.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.96 3f72 h GLU 14 CO 0.55 0.07 0.00 0.39 -1.18 0.00 0.00 179.01 178.84 3f72 n GLU 15 N -3.17 0.00 -0.21 1.92 4.71 -1.26 -2.60 120.64 120.03 3f72 n GLU 15 Ca 0.01 0.04 0.18 0.00 -0.01 0.00 0.00 57.16 57.38 3f72 n GLU 15 Cb 0.37 -0.77 0.31 0.00 -1.01 0.00 0.00 31.44 30.34 3f72 n GLU 15 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3f72 n LYS 16 N -0.63 -0.02 -0.07 3.49 5.02 -1.25 -1.68 118.16 123.02 3f72 n LYS 16 Ca 0.00 0.58 -0.10 0.00 -2.02 0.00 0.00 58.31 56.76 3f72 n LYS 16 Cb 0.00 -1.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.79 3f72 n LYS 16 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3f72 h VAL 17 N 0.00 1.24 0.00 -0.18 2.07 -1.63 -0.55 116.25 117.20 3f72 h VAL 17 Ca 0.40 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.97 3f72 h VAL 17 Cb 1.28 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3f72 h VAL 17 CO -0.22 0.42 0.00 0.59 0.02 0.00 0.00 177.57 178.38 3f72 n ASN 18 N -4.65 0.00 -0.03 0.57 3.02 -0.68 0.96 115.26 114.45 3f72 n ASN 18 Ca -0.08 -0.72 -0.01 0.00 -0.03 0.00 0.00 54.58 53.74 3f72 n ASN 18 Cb 0.36 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 3f72 n ASN 18 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3f72 h ARG 19 N 0.00 0.00 -0.28 3.52 2.43 -1.36 0.22 114.38 118.91 3f72 h ARG 19 Ca 0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3f72 h ARG 19 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3f72 h ARG 19 CO 0.00 0.00 -0.20 0.82 -1.51 0.00 0.00 179.97 179.08 3f72 h ILE 20 N -0.62 1.25 0.06 1.20 2.04 -1.16 0.92 117.51 121.20 3f72 h ILE 20 Ca 0.00 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 3f72 h ILE 20 Cb 0.06 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3f72 h ILE 20 CO 0.00 0.38 -0.03 -0.61 0.00 0.00 0.00 178.15 177.89 3f72 h GLN 21 N 0.47 -0.08 0.00 2.37 4.15 0.42 -3.16 115.11 119.28 3f72 h GLN 21 Ca 0.07 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3f72 h GLN 21 Cb 0.61 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.32 3f72 h GLN 21 CO 0.04 0.46 0.01 0.41 -1.93 0.00 0.00 178.83 177.83 3f72 n GLY 22 N 1.25 -0.26 0.00 2.39 0.00 0.77 -0.39 105.19 108.95 3f72 n GLY 22 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3f72 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f72 n ASP 23 N -1.25 0.00 0.00 1.61 9.92 0.32 -4.68 116.55 122.47 3f72 n ASP 23 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3f72 n ASP 23 Cb 0.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 3f72 n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3f72 n LEU 24 N -0.17 0.00 -4.44 0.64 -0.00 0.48 -0.32 117.00 113.19 3f72 n LEU 24 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 3f72 n LEU 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3f72 n LEU 24 CO 0.00 0.00 1.71 1.67 -0.00 0.00 0.00 177.39 180.77 3f72 n GLN 25 N 0.00 3.30 -0.10 1.47 7.27 -1.26 -3.31 117.38 124.74 3f72 n GLN 25 Ca 0.00 -3.56 0.00 0.00 0.07 0.00 0.00 57.00 53.51 3f72 n GLN 25 Cb 0.00 -3.22 0.00 0.00 2.41 0.00 0.00 30.24 29.43 3f72 n GLN 25 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3f72 n THR 26 N 5.22 0.00 -4.24 1.69 -2.24 0.57 -4.97 114.28 110.30 3f72 n THR 26 Ca 0.42 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 62.05 3f72 n THR 26 Cb 0.43 -0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 3f72 n THR 26 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3f72 s VAL 27 N -1.51 1.22 0.00 2.28 -7.23 -1.21 -5.02 120.40 108.93 3f72 s VAL 27 Ca 0.00 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3f72 s VAL 27 Cb 0.00 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.23 3f72 s VAL 27 CO 0.00 -0.63 1.76 -0.67 -0.31 0.00 0.00 175.10 175.25 3f72 n ASP 28 N 0.08 4.73 0.00 4.85 2.03 -1.26 -4.41 116.55 122.57 3f72 n ASP 28 Ca -0.12 -2.26 0.00 0.00 0.52 0.00 0.00 54.79 52.93 3f72 n ASP 28 Cb 0.59 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 3f72 n ASP 28 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3f72 n ILE 29 N 1.42 1.32 0.09 5.18 2.08 -1.26 0.31 119.36 128.50 3f72 n ILE 29 Ca 0.00 0.49 -0.16 0.00 0.56 0.00 0.00 62.75 63.64 3f72 n ILE 29 Cb 0.47 -1.49 -0.10 0.00 -0.75 0.00 0.00 39.64 37.77 3f72 n ILE 29 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 3f72 h SER 30 N 0.00 0.54 0.05 4.38 0.87 -1.94 -3.25 113.55 114.20 3f72 h SER 30 Ca 0.00 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.05 3f72 h SER 30 Cb 0.32 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3f72 h SER 30 CO 0.00 1.35 -0.02 1.23 -0.53 0.00 0.00 176.83 178.86 3f72 h GLY 31 N 1.22 -0.07 -0.16 5.77 0.00 0.45 -1.46 103.07 108.83 3f72 h GLY 31 Ca -0.12 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.34 3f72 h GLY 31 CO 0.20 -0.02 -0.18 -2.08 0.00 0.00 0.00 176.54 174.46 3f72 h VAL 32 N -0.57 0.39 -1.00 4.60 2.07 -1.42 0.73 116.25 121.05 3f72 h VAL 32 Ca -0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 3f72 h VAL 32 Cb 0.51 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 3f72 h VAL 32 CO 0.01 0.00 0.61 0.28 0.02 0.00 0.00 177.57 178.50 3f72 h SER 33 N -0.04 0.76 0.91 0.57 0.02 -1.54 0.14 113.55 114.37 3f72 h SER 33 Ca 0.26 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 61.13 3f72 h SER 33 Cb 0.44 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3f72 h SER 33 CO -0.58 0.29 -0.78 1.56 -1.14 0.00 0.00 176.83 176.17 3f72 h GLN 34 N 0.75 0.00 -0.00 3.45 4.20 0.05 0.95 115.11 124.51 3f72 h GLN 34 Ca 0.56 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.27 3f72 h GLN 34 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3f72 h GLN 34 CO -0.35 0.78 -0.01 0.82 -0.67 0.00 0.00 178.83 179.40 3f72 h ILE 35 N 0.00 1.62 -0.84 2.54 2.04 0.02 -2.43 117.51 120.47 3f72 h ILE 35 Ca -0.01 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.03 3f72 h ILE 35 Cb 1.44 2.86 -0.05 0.00 -0.74 0.00 0.00 36.82 40.34 3f72 h ILE 35 CO 0.10 0.48 0.55 -0.07 0.00 0.00 0.00 178.15 179.21 3f72 h LEU 36 N -0.76 0.94 -0.62 1.44 3.38 -0.85 -1.82 115.31 117.02 3f72 h LEU 36 Ca -0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3f72 h LEU 36 Cb 0.79 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3f72 h LEU 36 CO 0.00 0.66 0.29 0.11 0.09 0.00 0.00 178.44 179.60 3f72 h LYS 37 N 1.10 0.51 0.30 1.13 1.79 -0.92 -1.72 116.57 118.76 3f72 h LYS 37 Ca 0.32 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 3f72 h LYS 37 Cb -0.08 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 3f72 h LYS 37 CO -0.09 0.34 -0.14 0.00 -1.08 0.00 0.00 179.45 178.48 3f72 h ALA 38 N 1.37 -0.40 -0.24 3.86 0.00 -0.82 -3.15 119.26 119.87 3f72 h ALA 38 Ca 0.30 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3f72 h ALA 38 Cb 0.29 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3f72 h ALA 38 CO -0.24 -0.67 -0.30 0.82 0.00 0.00 0.00 179.25 178.85 3f72 h ILE 39 N -0.51 1.28 -0.22 0.00 2.04 -1.41 -3.29 117.51 115.39 3f72 h ILE 39 Ca -0.04 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 3f72 h ILE 39 Cb 0.38 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3f72 h ILE 39 CO 0.07 0.43 0.05 0.00 0.00 0.00 0.00 178.15 178.70 3f72 h ALA 40 N 1.25 1.67 -1.89 1.87 0.00 -1.27 -2.77 119.26 118.12 3f72 h ALA 40 Ca 0.06 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 3f72 h ALA 40 Cb 0.74 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.49 3f72 h ALA 40 CO 0.06 0.26 0.59 -3.47 0.00 0.00 0.00 179.25 176.68 3f72 n ASP 41 N -4.40 2.17 -0.33 0.00 2.03 -1.22 -4.74 116.55 110.07 3f72 n ASP 41 Ca 0.00 1.10 -0.03 0.00 0.52 0.00 0.00 54.79 56.39 3f72 n ASP 41 Cb 0.16 -1.27 0.11 0.00 -0.72 0.00 0.00 41.12 39.39 3f72 n ASP 41 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3f72 h GLU 42 N 5.11 1.25 0.00 -0.67 4.11 -1.94 0.44 114.58 122.88 3f72 h GLU 42 Ca -0.47 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 58.83 3f72 h GLU 42 Cb 1.31 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3f72 h GLU 42 CO 0.82 0.89 0.00 -0.91 0.07 0.00 0.00 179.01 179.88 3f72 h ASN 43 N 1.26 0.00 0.38 3.06 2.35 -1.92 -2.41 115.58 118.30 3f72 h ASN 43 Ca 0.32 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.95 3f72 h ASN 43 Cb -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3f72 h ASN 43 CO -0.06 0.00 -1.73 0.54 -1.65 0.00 0.00 177.43 174.54 3f72 n ARG 44 N -2.74 0.64 -0.03 0.81 1.74 0.03 -2.92 116.66 114.19 3f72 n ARG 44 Ca 0.02 0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 3f72 n ARG 44 Cb 0.32 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 3f72 n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f72 h ALA 45 N 1.63 0.22 -0.67 7.54 0.00 0.08 -2.43 119.26 125.62 3f72 h ALA 45 Ca -0.16 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.35 3f72 h ALA 45 Cb 1.42 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 3f72 h ALA 45 CO 0.02 0.42 0.26 0.87 0.00 0.00 0.00 179.25 180.82 3f72 h LYS 46 N 0.18 0.42 -0.68 0.00 1.57 -1.57 0.10 116.57 116.60 3f72 h LYS 46 Ca -0.03 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3f72 h LYS 46 Cb 1.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 3f72 h LYS 46 CO 0.11 0.28 0.30 0.82 -0.57 0.00 0.00 179.45 180.39 3f72 h ILE 47 N 0.44 1.24 -0.32 1.86 2.04 -1.39 -0.72 117.51 120.64 3f72 h ILE 47 Ca 0.35 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3f72 h ILE 47 Cb 0.46 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3f72 h ILE 47 CO -0.34 0.28 -0.19 0.74 0.00 0.00 0.00 178.15 178.65 3f72 h THR 48 N 0.95 1.29 -0.16 -0.27 2.02 -1.01 -2.07 112.91 113.66 3f72 h THR 48 Ca 0.23 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.02 3f72 h THR 48 Cb 0.16 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3f72 h THR 48 CO -0.02 0.42 -0.26 0.22 0.37 0.00 0.00 175.52 176.25 3f72 h TYR 49 N 0.45 0.33 -0.40 3.16 3.20 -0.63 -2.06 116.97 121.03 3f72 h TYR 49 Ca 0.07 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3f72 h TYR 49 Cb 0.73 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3f72 h TYR 49 CO 0.06 0.54 -0.01 0.00 -1.64 0.00 0.00 178.16 177.11 3f72 h ALA 50 N 1.47 1.24 -0.00 1.82 0.00 -0.48 -2.12 119.26 121.19 3f72 h ALA 50 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3f72 h ALA 50 Cb 0.60 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3f72 h ALA 50 CO 0.04 0.50 -0.13 1.28 0.00 0.00 0.00 179.25 180.95 3f72 n LEU 51 N -4.24 0.30 -0.01 0.00 4.77 -0.85 -0.63 117.00 116.33 3f72 n LEU 51 Ca 0.02 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 3f72 n LEU 51 Cb 0.27 -0.28 0.66 0.00 -2.33 0.00 0.00 43.42 41.74 3f72 n LEU 51 CO 0.40 0.06 0.95 0.00 -1.33 0.00 0.00 177.39 177.48 3f72 n GLN 53 N -1.37 0.66 -3.83 0.00 1.13 0.19 -4.98 117.38 109.19 3f72 n GLN 53 Ca 0.10 0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 55.17 3f72 n GLN 53 Cb 0.29 -1.53 -0.13 0.00 0.11 0.00 0.00 30.24 28.98 3f72 n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3f72 s ASP 54 N -6.38 -0.09 0.39 1.08 1.11 -1.20 -5.08 116.67 106.50 3f72 s ASP 54 Ca -0.31 0.19 0.16 0.00 0.18 0.00 0.00 52.55 52.78 3f72 s ASP 54 Cb 0.08 0.18 0.82 0.00 1.07 0.00 0.00 42.92 45.07 3f72 s ASP 54 CO 0.64 -0.05 1.84 -0.08 1.18 0.00 0.00 175.17 178.70 3f72 h GLU 55 N 6.19 0.00 -4.62 8.23 4.81 -1.90 -3.41 114.58 123.87 3f72 h GLU 55 Ca -0.27 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.52 3f72 h GLU 55 Cb 1.19 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.27 3f72 h GLU 55 CO 0.45 0.34 -0.79 -1.21 -0.73 0.00 0.00 179.01 177.07 3f72 s GLU 56 N -4.03 0.98 0.02 1.92 2.02 -1.24 -3.80 118.70 114.57 3f72 s GLU 56 Ca -0.02 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 54.66 3f72 s GLU 56 Cb 0.13 -0.92 -0.02 0.00 0.10 0.00 0.00 34.13 33.43 3f72 s GLU 56 CO 0.69 0.12 -0.05 -0.51 0.02 0.00 0.00 175.26 175.54 3f72 s LEU 57 N 0.17 2.21 0.64 1.80 1.43 -0.56 -4.93 118.68 119.44 3f72 s LEU 57 Ca -0.03 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3f72 s LEU 57 Cb -0.08 -0.03 0.09 0.00 0.03 0.00 0.00 46.19 46.19 3f72 s LEU 57 CO 0.00 -0.21 0.89 0.00 0.23 0.00 0.00 176.35 177.26 3f72 h VAL 59 N -0.22 1.24 -0.59 0.00 3.04 -1.92 -2.45 116.25 115.36 3f72 h VAL 59 Ca -0.38 -0.51 0.05 0.00 -1.01 0.00 0.00 66.70 64.85 3f72 h VAL 59 Cb 1.28 -0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 3f72 h VAL 59 CO 0.45 0.25 0.32 0.00 -1.01 0.00 0.00 177.57 177.58 3f72 h ASP 61 N 0.61 -1.11 -0.22 0.00 3.32 -1.84 0.12 116.42 117.31 3f72 h ASP 61 Ca 0.26 0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.44 3f72 h ASP 61 Cb 0.13 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3f72 h ASP 61 CO -0.16 -0.36 -0.01 0.40 -1.72 0.00 0.00 179.24 177.40 3f72 h ILE 62 N -0.35 1.26 -0.01 0.35 5.03 -1.28 0.26 117.51 122.76 3f72 h ILE 62 Ca 0.12 -0.91 0.01 0.00 -0.12 0.00 0.00 64.86 63.96 3f72 h ILE 62 Cb 0.56 1.43 -0.02 0.00 -3.03 0.00 0.00 36.82 35.77 3f72 h ILE 62 CO -0.44 0.28 -0.06 0.00 -0.68 0.00 0.00 178.15 177.25 3f72 h ALA 63 N 0.78 -0.05 -0.25 1.87 0.00 -1.31 1.39 119.26 121.69 3f72 h ALA 63 Ca 0.06 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3f72 h ALA 63 Cb 0.42 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3f72 h ALA 63 CO 0.01 -0.55 -0.02 -0.97 0.00 0.00 0.00 179.25 177.72 3f72 h ASN 64 N -0.10 -0.15 -0.43 0.00 -0.73 -0.52 1.57 115.58 115.23 3f72 h ASN 64 Ca 0.03 0.06 0.02 0.00 1.87 0.00 0.00 56.30 58.29 3f72 h ASN 64 Cb 0.14 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 3f72 h ASN 64 CO -0.07 -0.04 0.24 0.40 -0.37 0.00 0.00 177.43 177.58 3f72 h ILE 65 N 0.04 1.02 0.00 2.57 2.04 -0.26 -2.31 117.51 120.61 3f72 h ILE 65 Ca 0.12 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 3f72 h ILE 65 Cb 0.17 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3f72 h ILE 65 CO -0.22 0.09 -0.50 -0.07 0.00 0.00 0.00 178.15 177.45 3f72 h LEU 66 N 0.48 0.00 -0.97 1.44 4.07 0.23 -3.47 115.31 117.08 3f72 h LEU 66 Ca 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.10 3f72 h LEU 66 Cb 0.04 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.79 3f72 h LEU 66 CO -0.09 0.50 -0.07 0.61 -1.08 0.00 0.00 178.44 178.31 3f72 n GLY 67 N 0.02 0.81 3.20 0.83 0.00 0.52 -5.03 105.19 105.53 3f72 n GLY 67 Ca -0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 3f72 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f72 s VAL 68 N -3.02 0.15 0.59 1.61 -7.23 0.08 -5.02 120.40 107.55 3f72 s VAL 68 Ca 0.06 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 3f72 s VAL 68 Cb -0.03 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 3f72 s VAL 68 CO 0.07 -0.17 1.22 0.42 -0.31 0.00 0.00 175.10 176.33 3f72 s THR 69 N -4.04 2.60 0.17 5.32 -4.23 -1.26 -4.30 115.64 109.89 3f72 s THR 69 Ca 0.34 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 61.31 3f72 s THR 69 Cb 0.07 -3.16 0.09 0.00 1.34 0.00 0.00 72.50 70.84 3f72 s THR 69 CO 0.09 -0.07 1.12 0.40 -0.54 0.00 0.00 174.62 175.62 3f72 h ILE 70 N 0.95 0.00 0.03 2.99 2.04 -1.89 -2.65 117.51 118.98 3f72 h ILE 70 Ca -0.50 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.15 3f72 h ILE 70 Cb 1.30 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3f72 h ILE 70 CO 0.55 0.00 -1.08 0.00 0.00 0.00 0.00 178.15 177.62 3f72 h ALA 71 N 0.75 0.20 -2.52 1.87 0.00 -1.97 -3.35 119.26 114.24 3f72 h ALA 71 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3f72 h ALA 71 Cb 0.95 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3f72 h ALA 71 CO 0.00 0.62 0.00 0.09 0.00 0.00 0.00 179.25 179.96 3f72 n ASN 72 N -4.31 0.00 -3.48 0.00 4.13 -1.07 -2.64 115.26 107.89 3f72 n ASN 72 Ca -0.26 0.58 -0.03 0.00 1.68 0.00 0.00 54.58 56.55 3f72 n ASN 72 Cb 0.71 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.86 3f72 n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3f72 n ALA 73 N -1.07 0.25 0.00 5.41 0.00 -1.02 -0.36 120.51 123.73 3f72 n ALA 73 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3f72 n ALA 73 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3f72 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3f72 n SER 74 N 3.57 0.00 0.35 0.00 7.64 -1.08 -4.62 113.62 119.48 3f72 n SER 74 Ca 0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.74 3f72 n SER 74 Cb 0.07 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 3f72 n SER 74 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 3f72 h HIS 75 N 0.00 -0.80 -0.35 1.43 -0.00 -0.49 0.59 115.15 115.53 3f72 h HIS 75 Ca 0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.43 3f72 h HIS 75 Cb 0.00 0.27 -0.08 0.00 -0.00 0.00 0.00 27.41 27.60 3f72 h HIS 75 CO 0.00 -0.48 -0.19 0.45 -0.00 0.00 0.00 177.93 177.72 3f72 h HIS 76 N -0.94 -0.47 -0.97 2.45 3.86 -1.75 -0.25 115.15 117.09 3f72 h HIS 76 Ca -0.09 0.04 0.10 0.00 -1.16 0.00 0.00 60.37 59.26 3f72 h HIS 76 Cb 0.69 0.26 -0.07 0.00 1.06 0.00 0.00 27.41 29.34 3f72 h HIS 76 CO -0.02 -0.26 0.62 -0.07 0.86 0.00 0.00 177.93 179.06 3f72 h LEU 77 N -0.13 0.91 -0.07 2.43 3.38 -1.74 -2.17 115.31 117.91 3f72 h LEU 77 Ca 0.18 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3f72 h LEU 77 Cb 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3f72 h LEU 77 CO -0.43 0.52 -0.28 0.03 0.09 0.00 0.00 178.44 178.37 3f72 h ARG 78 N 0.99 0.32 -0.75 1.13 3.08 -0.38 -1.02 114.38 117.75 3f72 h ARG 78 Ca 0.46 -0.24 0.10 0.00 0.07 0.00 0.00 59.98 60.36 3f72 h ARG 78 Cb 0.40 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3f72 h ARG 78 CO -0.21 0.88 0.39 1.15 -1.07 0.00 0.00 179.97 181.10 3f72 h THR 79 N -0.17 0.84 -0.49 2.04 2.02 -1.01 0.67 112.91 116.80 3f72 h THR 79 Ca -0.01 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3f72 h THR 79 Cb 0.91 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3f72 h THR 79 CO 0.06 0.12 -0.04 -0.07 0.37 0.00 0.00 175.52 175.96 3f72 h LEU 80 N 0.64 0.82 -0.05 2.58 3.38 -1.26 -3.12 115.31 118.30 3f72 h LEU 80 Ca 0.37 -0.22 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 3f72 h LEU 80 Cb 0.41 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.96 3f72 h LEU 80 CO -0.28 0.90 -1.03 0.22 0.09 0.00 0.00 178.44 178.35 3f72 h TYR 81 N 0.77 0.90 -0.23 1.13 3.20 -0.72 0.08 116.97 122.11 3f72 h TYR 81 Ca 0.14 -0.49 0.07 0.00 3.14 0.00 0.00 58.73 61.58 3f72 h TYR 81 Cb 0.52 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3f72 h TYR 81 CO 0.03 1.33 0.36 -0.22 -1.64 0.00 0.00 178.16 178.01 3f72 h LYS 82 N 0.33 0.00 -0.05 1.82 3.11 0.39 0.36 116.57 122.53 3f72 h LYS 82 Ca -0.12 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 3f72 h LYS 82 Cb 1.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.90 3f72 h LYS 82 CO 0.19 0.00 0.00 1.04 -2.81 0.00 0.00 179.45 177.87 3f72 n GLN 83 N -3.44 0.94 -0.86 1.90 1.13 -1.07 -4.97 117.38 111.01 3f72 n GLN 83 Ca 0.03 -1.33 0.00 0.00 -1.94 0.00 0.00 57.00 53.76 3f72 n GLN 83 Cb 0.48 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.58 3f72 n GLN 83 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f72 n GLY 84 N 0.71 0.98 0.36 1.08 0.00 0.11 -4.87 105.19 103.57 3f72 n GLY 84 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3f72 n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f72 h VAL 85 N 0.00 1.12 -4.10 1.61 2.07 -1.23 -3.32 116.25 112.40 3f72 h VAL 85 Ca 0.00 -0.34 -0.50 0.00 0.82 0.00 0.00 66.70 66.67 3f72 h VAL 85 Cb 0.00 0.03 -0.25 0.00 -1.52 0.00 0.00 31.29 29.55 3f72 h VAL 85 CO 0.00 0.18 -0.81 0.68 0.02 0.00 0.00 177.57 177.64 3f72 s VAL 86 N -5.86 1.35 0.31 2.57 -7.23 -1.18 0.62 120.40 110.97 3f72 s VAL 86 Ca -0.11 -1.07 0.09 0.00 -1.81 0.00 0.00 61.98 59.07 3f72 s VAL 86 Cb 0.19 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 3f72 s VAL 86 CO 0.79 0.10 0.08 0.21 -0.31 0.00 0.00 175.10 175.97 3f72 s ASN 87 N -1.14 4.64 0.00 4.85 3.84 0.18 -4.38 114.94 122.93 3f72 s ASN 87 Ca 0.04 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.40 3f72 s ASN 87 Cb -0.08 -0.79 0.00 0.00 -0.55 0.00 0.00 41.25 39.83 3f72 s ASN 87 CO 0.01 -0.17 0.00 2.22 -2.79 0.00 0.00 177.10 176.37 3f72 n PHE 88 N -1.04 0.00 -3.15 0.43 1.16 -1.26 -1.96 117.46 111.63 3f72 n PHE 88 Ca -0.05 0.00 -0.45 0.00 -1.87 0.00 0.00 57.45 55.08 3f72 n PHE 88 Cb 0.60 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.45 3f72 n PHE 88 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3f72 s ALA 95 N -2.00 3.89 -0.20 1.98 0.00 -1.26 -5.03 121.76 119.14 3f72 s ALA 95 Ca 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 51.96 48.69 3f72 s ALA 95 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3f72 s ALA 95 CO 0.00 -2.56 0.09 -0.48 0.00 0.00 0.00 175.76 172.81 3f72 s LEU 96 N 1.03 3.89 0.21 0.00 2.34 -1.26 -4.43 118.68 120.46 3f72 s LEU 96 Ca 0.27 0.07 -0.14 0.00 0.06 0.00 0.00 54.13 54.39 3f72 s LEU 96 Cb -0.08 -2.01 -0.08 0.00 -0.56 0.00 0.00 46.19 43.47 3f72 s LEU 96 CO -0.08 0.13 0.61 -0.31 -1.06 0.00 0.00 176.35 175.64 3f72 s TYR 97 N 0.66 3.54 0.12 3.48 2.02 0.46 -4.88 117.35 122.74 3f72 s TYR 97 Ca 0.05 1.11 -0.18 0.00 -0.37 0.00 0.00 57.07 57.67 3f72 s TYR 97 Cb -0.13 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3f72 s TYR 97 CO 0.01 0.32 0.46 -1.54 -1.57 0.00 0.00 175.55 173.23 3f72 s SER 98 N -1.93 -0.33 0.38 2.29 1.04 -0.83 -1.49 113.70 112.83 3f72 s SER 98 Ca 0.43 -0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.44 3f72 s SER 98 Cb -0.14 0.50 -0.11 0.00 0.10 0.00 0.00 66.02 66.37 3f72 s SER 98 CO 0.20 -0.84 1.18 0.18 0.98 0.00 0.00 173.24 174.93 3f72 n LEU 99 N -0.12 3.28 0.33 2.42 4.32 -1.26 -0.65 117.00 125.32 3f72 n LEU 99 Ca -0.17 1.13 0.21 0.00 -0.02 0.00 0.00 56.01 57.16 3f72 n LEU 99 Cb 0.63 -1.43 1.14 0.00 -1.62 0.00 0.00 43.42 42.14 3f72 n LEU 99 CO 0.17 -0.90 1.17 1.23 -1.22 0.00 0.00 177.39 177.84 3f72 h GLY 100 N 2.07 0.00 0.00 -0.72 0.00 0.08 -3.36 103.07 101.13 3f72 h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3f72 h GLY 100 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3f72 n GLY 101 N -1.13 -2.31 0.22 4.60 0.00 -1.26 -4.87 105.19 100.44 3f72 n GLY 101 Ca -0.03 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 3f72 n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f72 h GLU 102 N 0.00 0.38 -1.05 1.61 4.39 -2.00 -2.09 114.58 115.81 3f72 h GLU 102 Ca 0.00 -0.16 0.32 0.00 0.34 0.00 0.00 59.36 59.86 3f72 h GLU 102 Cb 0.00 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.50 3f72 h GLU 102 CO 0.00 0.67 0.63 0.00 -1.16 0.00 0.00 179.01 179.15 3f72 h ALA 103 N 1.32 2.09 -0.21 3.43 0.00 -2.00 -0.41 119.26 123.49 3f72 h ALA 103 Ca 0.04 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3f72 h ALA 103 Cb 0.75 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3f72 h ALA 103 CO 0.06 -0.67 -0.44 0.82 0.00 0.00 0.00 179.25 179.02 3f72 h ILE 104 N 0.32 1.32 -0.11 0.00 1.08 -1.75 -1.67 117.51 116.70 3f72 h ILE 104 Ca 0.72 -1.67 0.02 0.00 -0.39 0.00 0.00 64.86 63.54 3f72 h ILE 104 Cb 1.74 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 37.32 3f72 h ILE 104 CO -0.53 0.52 -0.01 -0.09 -0.69 0.00 0.00 178.15 177.36 3f72 h ARG 105 N 0.36 0.03 0.25 2.37 2.43 -1.19 -1.76 114.38 116.87 3f72 h ARG 105 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3f72 h ARG 105 Cb 1.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3f72 h ARG 105 CO 0.10 0.02 -0.27 1.96 -1.51 0.00 0.00 179.97 180.26 3f72 h GLN 106 N 0.03 -0.54 -0.50 0.20 1.08 -1.08 0.18 115.11 114.47 3f72 h GLN 106 Ca 0.05 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.38 3f72 h GLN 106 Cb 0.07 0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 27.52 3f72 h GLN 106 CO -0.10 -0.36 -0.32 0.82 -0.95 0.00 0.00 178.83 177.92 3f72 h ILE 107 N -0.56 0.21 -0.03 2.54 2.04 -1.28 1.08 117.51 121.51 3f72 h ILE 107 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3f72 h ILE 107 Cb 0.53 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3f72 h ILE 107 CO -0.07 0.00 -0.17 -0.03 0.00 0.00 0.00 178.15 177.88 3f72 h MET 108 N -0.19 -0.25 -0.45 2.37 4.05 -1.25 0.90 114.93 120.11 3f72 h MET 108 Ca 0.21 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.59 3f72 h MET 108 Cb 0.54 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 3f72 h MET 108 CO -0.61 -0.17 0.06 0.52 0.23 0.00 0.00 176.91 176.94 3f72 h MET 109 N -0.26 0.69 -0.46 0.39 2.86 0.20 -2.63 114.93 115.71 3f72 h MET 109 Ca 0.06 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3f72 h MET 109 Cb 0.35 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3f72 h MET 109 CO -0.18 0.67 0.05 0.82 1.06 0.00 0.00 176.91 179.32 3f72 h ILE 110 N 0.66 1.25 -0.17 -1.22 1.08 0.15 -2.87 117.51 116.39 3f72 h ILE 110 Ca 0.14 -0.95 -0.05 0.00 -0.39 0.00 0.00 64.86 63.61 3f72 h ILE 110 Cb 0.32 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 3f72 h ILE 110 CO 0.01 0.33 -0.13 0.00 -0.69 0.00 0.00 178.15 177.67 3f72 h ALA 111 N 0.94 1.47 0.00 1.87 0.00 -0.57 -2.19 119.26 120.78 3f72 h ALA 111 Ca 0.14 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3f72 h ALA 111 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3f72 h ALA 111 CO 0.01 0.38 -0.81 -0.07 0.00 0.00 0.00 179.25 178.76 3f72 h LEU 112 N 0.26 0.03 0.00 0.00 3.38 -1.46 -2.34 115.31 115.18 3f72 h LEU 112 Ca 0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3f72 h LEU 112 Cb 0.39 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3f72 h LEU 112 CO 0.02 0.82 -0.29 0.00 0.09 0.00 0.00 178.44 179.09 3f72 h ALA 113 N 1.17 0.05 -0.89 1.53 0.00 -1.18 -3.00 119.26 116.95 3f72 h ALA 113 Ca -0.01 -0.48 0.23 0.00 0.00 0.00 0.00 54.91 54.65 3f72 h ALA 113 Cb 1.43 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 3f72 h ALA 113 CO 0.11 0.19 0.33 1.12 0.00 0.00 0.00 179.25 181.00 3f72 h HIS 114 N -1.00 0.53 0.00 0.00 2.07 -1.59 -3.33 115.15 111.83 3f72 h HIS 114 Ca -0.06 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 3f72 h HIS 114 Cb 0.70 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.58 3f72 h HIS 114 CO 0.10 -0.12 0.00 0.36 -3.07 0.00 0.00 177.93 175.20 3f72 n LYS 115 N -5.12 0.00 -1.66 5.12 0.00 -0.88 -3.97 118.16 111.65 3f72 n LYS 115 Ca 0.22 0.21 -0.26 0.00 -0.00 0.00 0.00 58.31 58.48 3f72 n LYS 115 Cb 0.68 -1.12 -0.05 0.00 -0.00 0.00 0.00 35.03 34.54 3f72 n LYS 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 3f72 s LYS 116 N -1.46 1.99 0.00 -1.58 -2.85 -1.13 -5.11 119.74 109.60 3f72 s LYS 116 Ca 0.00 0.81 0.00 0.00 -1.00 0.00 0.00 55.97 55.78 3f72 s LYS 116 Cb 0.00 -4.69 0.00 0.00 -2.06 0.00 0.00 37.83 31.08 3f72 s LYS 116 CO 0.00 -3.71 0.00 -1.91 0.10 0.00 0.00 175.35 169.83