#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of9 n GLU 2 N 0.00 0.16 0.04 1.61 2.13 -1.26 -4.95 120.64 118.37 1of9 n GLU 2 Ca 0.00 -0.47 -0.03 0.00 0.66 0.00 0.00 57.16 57.33 1of9 n GLU 2 Cb 0.00 0.42 -0.01 0.00 0.27 0.00 0.00 31.44 32.12 1of9 n GLU 2 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1of9 h ILE 3 N 2.10 0.00 -0.13 6.31 2.04 -1.97 -3.44 117.51 122.42 1of9 h ILE 3 Ca -0.24 -0.52 -0.19 0.00 1.00 0.00 0.00 64.86 64.91 1of9 h ILE 3 Cb 0.96 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.79 1of9 h ILE 3 CO -0.12 0.00 -0.63 -0.11 0.00 0.00 0.00 178.15 177.30 1of9 n LEU 4 N -3.92 -0.16 0.00 1.44 7.94 -0.67 -4.98 117.00 116.65 1of9 n LEU 4 Ca -0.02 -2.79 0.00 0.00 -1.11 0.00 0.00 56.01 52.09 1of9 n LEU 4 Cb 0.07 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.20 1of9 n LEU 4 CO 0.05 1.32 0.20 0.00 -1.11 0.00 0.00 177.39 177.85 1of9 h ASN 6 N 0.00 0.00 0.00 0.00 -1.24 -1.94 0.29 115.58 112.70 1of9 h ASN 6 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1of9 h ASN 6 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1of9 h ASN 6 CO 0.00 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 176.03 1of9 n LEU 7 N -3.69 0.05 0.03 0.34 7.94 -1.18 -0.33 117.00 120.15 1of9 n LEU 7 Ca 0.37 0.83 -0.12 0.00 -1.11 0.00 0.00 56.01 55.98 1of9 n LEU 7 Cb 1.85 -0.47 -0.06 0.00 0.53 0.00 0.00 43.42 45.28 1of9 n LEU 7 CO 0.37 -0.47 0.61 0.00 -1.11 0.00 0.00 177.39 176.79 1of9 h THR 9 N -0.49 0.00 0.16 0.00 1.35 -0.69 0.96 112.91 114.19 1of9 h THR 9 Ca 0.07 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.60 1of9 h THR 9 Cb 0.61 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1of9 h THR 9 CO -0.34 0.00 -1.66 1.23 -0.25 0.00 0.00 175.52 174.50 1of9 h GLY 10 N 0.00 0.39 1.58 5.82 0.00 0.36 -3.09 103.07 108.12 1of9 h GLY 10 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.34 1of9 h GLY 10 CO 0.00 0.87 -0.41 0.17 0.00 0.00 0.00 176.54 177.16 1of9 h LEU 11 N 0.09 0.00 0.36 3.11 8.10 0.21 -2.98 115.31 124.21 1of9 h LEU 11 Ca -0.30 -0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.67 1of9 h LEU 11 Cb 2.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.29 1of9 h LEU 11 CO 0.17 0.00 -0.17 0.40 -4.11 0.00 0.00 178.44 174.73 1of9 h ILE 12 N 0.00 0.34 -0.81 0.15 1.08 0.64 0.16 117.51 119.07 1of9 h ILE 12 Ca 0.00 -0.70 0.04 0.00 -0.39 0.00 0.00 64.86 63.81 1of9 h ILE 12 Cb 0.99 0.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 1of9 h ILE 12 CO 0.00 0.08 0.53 0.78 -0.69 0.00 0.00 178.15 178.85 1of9 h ASN 13 N -1.02 0.84 1.14 1.72 2.35 -1.66 0.31 115.58 119.26 1of9 h ASN 13 Ca -0.05 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1of9 h ASN 13 Cb 0.50 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1of9 h ASN 13 CO 0.08 0.56 0.00 1.07 -1.65 0.00 0.00 177.43 177.49 1of9 n THR 14 N -4.46 0.69 0.14 2.81 5.66 -1.12 -2.38 114.28 115.61 1of9 n THR 14 Ca 0.11 -0.06 0.07 0.00 -3.05 0.00 0.00 64.05 61.13 1of9 n THR 14 Cb 0.15 -0.84 0.04 0.00 -1.55 0.00 0.00 70.33 68.14 1of9 n THR 14 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1of9 h LEU 15 N 0.00 0.00 -2.77 1.09 4.07 0.26 -3.23 115.31 114.73 1of9 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1of9 h LEU 15 Cb 0.57 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 1of9 h LEU 15 CO 0.00 0.23 0.08 -0.08 -1.08 0.00 0.00 178.44 177.59 1of9 h GLU 16 N 0.00 0.00 -0.01 1.13 4.81 -0.93 0.49 114.58 120.06 1of9 h GLU 16 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1of9 h GLU 16 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1of9 h GLU 16 CO 0.02 0.00 -0.06 -1.71 -0.73 0.00 0.00 179.01 176.53 1of9 n ASN 17 N -3.04 1.75 0.00 1.04 2.85 -1.22 -4.54 115.26 112.10 1of9 n ASN 17 Ca -0.03 -1.37 0.00 0.00 -0.11 0.00 0.00 54.58 53.07 1of9 n ASN 17 Cb 0.14 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1of9 n ASN 17 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1of9 n LEU 18 N 0.39 0.00 -0.12 1.20 7.94 0.17 -4.70 117.00 121.87 1of9 n LEU 18 Ca 0.06 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.70 1of9 n LEU 18 Cb 0.27 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.13 1of9 n LEU 18 CO 0.09 0.00 -1.35 0.18 -1.11 0.00 0.00 177.39 175.20 1of9 n LEU 19 N 0.00 1.92 -1.84 -1.96 7.99 -1.26 -4.91 117.00 116.94 1of9 n LEU 19 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1of9 n LEU 19 Cb 0.00 -0.75 0.00 0.00 -0.11 0.00 0.00 43.42 42.56 1of9 n LEU 19 CO 0.00 0.57 0.00 1.07 -1.51 0.00 0.00 177.39 177.52 1of9 n THR 20 N -4.00 0.00 0.00 -5.08 5.66 -1.26 -1.61 114.28 107.99 1of9 n THR 20 Ca -0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1of9 n THR 20 Cb 0.86 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1of9 n THR 20 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1of9 n THR 21 N -1.84 0.00 -0.05 1.09 5.66 -1.26 -4.96 114.28 112.92 1of9 n THR 21 Ca 0.00 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.18 1of9 n THR 21 Cb 0.28 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.69 1of9 n THR 21 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1of9 h LYS 22 N 0.00 0.14 0.00 1.09 6.56 -1.65 -3.44 116.57 119.27 1of9 h LYS 22 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1of9 h LYS 22 Cb 0.00 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 1of9 h LYS 22 CO 0.00 0.09 0.00 0.41 -2.06 0.00 0.00 179.45 177.89 1of9 n GLY 23 N -1.60 2.85 0.11 3.86 0.00 -1.26 -4.93 105.19 104.22 1of9 n GLY 23 Ca 0.11 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1of9 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of9 n ALA 24 N 0.00 1.21 0.09 4.61 0.00 -1.26 -0.60 120.51 124.55 1of9 n ALA 24 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 1of9 n ALA 24 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1of9 n ALA 24 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1of9 h ASP 25 N 0.00 0.20 0.94 0.00 5.19 -1.98 -2.83 116.42 117.95 1of9 h ASP 25 Ca 0.00 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1of9 h ASP 25 Cb 0.09 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1of9 h ASP 25 CO 0.00 0.96 0.00 0.50 -3.12 0.00 0.00 179.24 177.58 1of9 h LYS 26 N 0.09 0.00 0.33 3.56 1.63 -1.21 -3.00 116.57 117.97 1of9 h LYS 26 Ca -0.04 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1of9 h LYS 26 Cb 1.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1of9 h LYS 26 CO 0.13 0.00 -0.16 -0.24 -3.45 0.00 0.00 179.45 175.73 1of9 h VAL 27 N 0.00 0.69 -0.20 2.00 3.04 -1.50 -1.94 116.25 118.34 1of9 h VAL 27 Ca 0.00 -0.35 0.06 0.00 -1.01 0.00 0.00 66.70 65.40 1of9 h VAL 27 Cb 0.47 0.88 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 1of9 h VAL 27 CO 0.00 0.07 0.27 0.07 -1.01 0.00 0.00 177.57 176.97 1of9 h LYS 28 N -0.63 0.00 -0.38 4.17 2.10 -1.62 0.55 116.57 120.76 1of9 h LYS 28 Ca -0.05 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.51 1of9 h LYS 28 Cb 0.45 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.77 1of9 h LYS 28 CO 0.07 0.00 -0.16 0.22 -2.00 0.00 0.00 179.45 177.59 1of9 h ASP 29 N 0.00 0.69 0.82 7.07 1.82 -1.36 -0.31 116.42 125.14 1of9 h ASP 29 Ca 0.10 -0.22 -0.20 0.00 -0.39 0.00 0.00 57.03 56.32 1of9 h ASP 29 Cb 0.63 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 1of9 h ASP 29 CO -0.00 0.86 -1.28 0.22 -1.61 0.00 0.00 179.24 177.42 1of9 h TYR 30 N 0.62 0.00 0.00 0.28 5.03 0.20 -3.23 116.97 119.88 1of9 h TYR 30 Ca 0.10 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.32 1of9 h TYR 30 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 1of9 h TYR 30 CO 0.03 0.76 -0.41 0.82 -1.32 0.00 0.00 178.16 178.04 1of9 h ILE 31 N 0.00 0.99 -0.06 1.81 2.04 -0.46 -2.38 117.51 119.45 1of9 h ILE 31 Ca -0.15 -1.59 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 1of9 h ILE 31 Cb 1.71 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1of9 h ILE 31 CO 0.07 0.40 -0.22 0.28 0.00 0.00 0.00 178.15 178.69 1of9 h SER 32 N 0.00 0.29 -0.36 1.72 0.02 -1.13 0.55 113.55 114.64 1of9 h SER 32 Ca -0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1of9 h SER 32 Cb 0.90 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1of9 h SER 32 CO 0.05 0.87 0.23 0.28 -1.14 0.00 0.00 176.83 177.13 1of9 h SER 33 N -0.27 0.43 0.10 3.07 0.02 -1.55 1.58 113.55 116.93 1of9 h SER 33 Ca -0.01 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 1of9 h SER 33 Cb 0.86 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1of9 h SER 33 CO 0.05 0.33 -0.61 -0.07 -1.14 0.00 0.00 176.83 175.38 1of9 h LEU 34 N 0.51 0.33 0.00 5.07 3.38 -1.38 -3.15 115.31 120.07 1of9 h LEU 34 Ca 0.14 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1of9 h LEU 34 Cb -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1of9 h LEU 34 CO -0.03 1.29 0.00 0.00 0.09 0.00 0.00 178.44 179.80 1of9 n ASN 36 N -1.21 3.71 -1.77 0.00 2.85 0.53 -2.52 115.26 116.85 1of9 n ASN 36 Ca 0.12 -2.15 -0.01 0.00 -0.11 0.00 0.00 54.58 52.43 1of9 n ASN 36 Cb 0.15 -0.91 0.03 0.00 1.24 0.00 0.00 39.78 40.29 1of9 n ASN 36 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1of9 n LYS 37 N 3.29 0.37 0.00 1.20 3.00 -1.26 -5.01 118.16 119.76 1of9 n LYS 37 Ca 0.32 -0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1of9 n LYS 37 Cb 0.37 0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1of9 n ALA 38 N -0.42 0.17 -4.39 3.14 0.00 -1.05 -4.95 120.51 113.02 1of9 n ALA 38 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 1of9 n ALA 38 Cb 0.60 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 1of9 n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1of9 n SER 39 N 0.00 -0.35 0.00 0.00 2.88 -1.26 -4.72 113.62 110.17 1of9 n SER 39 Ca 0.00 -1.24 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1of9 n SER 39 Cb 0.00 -1.71 0.00 0.00 -0.75 0.00 0.00 64.21 61.75 1of9 n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1of9 n GLY 40 N -1.93 2.68 0.16 0.46 0.00 -1.26 -4.88 105.19 100.42 1of9 n GLY 40 Ca -0.14 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1of9 n GLY 40 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1of9 h PHE 41 N 0.00 0.40 0.00 1.61 3.04 -1.99 -2.94 116.94 117.06 1of9 h PHE 41 Ca 0.00 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1of9 h PHE 41 Cb 0.00 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1of9 h PHE 41 CO 0.00 0.95 -0.41 -0.89 -2.02 0.00 0.00 178.31 175.94 1of9 n ILE 42 N -3.78 0.09 -0.34 1.41 -0.00 -1.26 -4.25 119.36 111.23 1of9 n ILE 42 Ca -0.04 -0.06 -0.09 0.00 -0.00 0.00 0.00 62.75 62.56 1of9 n ILE 42 Cb 0.73 -0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.29 1of9 n ILE 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1of9 n ALA 43 N -1.57 -0.51 0.23 -1.39 0.00 -1.11 0.33 120.51 116.48 1of9 n ALA 43 Ca 0.05 0.68 0.08 0.00 0.00 0.00 0.00 53.44 54.26 1of9 n ALA 43 Cb 0.36 -0.10 0.57 0.00 0.00 0.00 0.00 19.45 20.28 1of9 n ALA 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1of9 h THR 44 N 0.00 0.85 -0.55 0.00 1.35 -1.78 -1.40 112.91 111.38 1of9 h THR 44 Ca 0.13 -0.80 -0.11 0.00 -0.55 0.00 0.00 66.41 65.08 1of9 h THR 44 Cb 0.33 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1of9 h THR 44 CO -0.75 0.20 -0.09 -0.07 -0.25 0.00 0.00 175.52 174.56 1of9 h LEU 45 N 0.00 1.04 0.26 3.87 3.38 0.51 0.11 115.31 124.48 1of9 h LEU 45 Ca -0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1of9 h LEU 45 Cb 0.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1of9 h LEU 45 CO 0.03 1.14 -0.13 0.00 0.09 0.00 0.00 178.44 179.57 1of9 h THR 47 N -0.80 0.13 0.55 0.00 2.02 -1.24 -1.65 112.91 111.92 1of9 h THR 47 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1of9 h THR 47 Cb 0.51 0.85 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1of9 h THR 47 CO 0.06 0.00 -0.26 0.11 0.37 0.00 0.00 175.52 175.80 1of9 h LYS 48 N 0.00 -0.71 -0.76 6.66 1.79 -0.48 0.19 116.57 123.26 1of9 h LYS 48 Ca 0.02 0.05 0.15 0.00 -2.18 0.00 0.00 60.65 58.69 1of9 h LYS 48 Cb 0.33 0.16 -0.10 0.00 -1.58 0.00 0.00 32.23 31.05 1of9 h LYS 48 CO -0.00 -0.42 0.30 0.28 -1.08 0.00 0.00 179.45 178.54 1of9 h VAL 49 N -0.89 0.65 -0.32 0.50 2.07 -1.22 0.49 116.25 117.53 1of9 h VAL 49 Ca -0.08 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1of9 h VAL 49 Cb 0.62 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1of9 h VAL 49 CO 0.12 0.08 0.20 -0.07 0.02 0.00 0.00 177.57 177.92 1of9 h LEU 50 N 0.44 0.38 -1.84 2.57 3.38 -1.33 1.53 115.31 120.44 1of9 h LEU 50 Ca 0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1of9 h LEU 50 Cb 0.65 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1of9 h LEU 50 CO -0.41 0.32 -0.08 -0.78 0.09 0.00 0.00 178.44 177.58 1of9 h ASP 51 N 0.42 0.00 0.00 -0.43 3.58 0.20 -3.01 116.42 117.17 1of9 h ASP 51 Ca 0.12 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1of9 h ASP 51 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1of9 h ASP 51 CO -0.02 0.08 -0.10 0.15 -2.88 0.00 0.00 179.24 176.47 1of9 h PHE 52 N 0.00 0.00 0.00 0.28 3.57 0.12 -3.51 116.94 117.40 1of9 h PHE 52 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1of9 h PHE 52 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1of9 h PHE 52 CO 0.00 0.48 0.00 0.41 -2.23 0.00 0.00 178.31 176.97 1of9 n GLY 53 N 1.68 2.57 0.33 2.40 0.00 0.51 -4.77 105.19 107.92 1of9 n GLY 53 Ca -0.06 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 45.62 1of9 n GLY 53 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1of9 h ILE 54 N 0.00 0.49 -0.21 -0.61 5.03 -1.82 1.47 117.51 121.86 1of9 h ILE 54 Ca 0.00 -0.17 -0.08 0.00 -0.12 0.00 0.00 64.86 64.49 1of9 h ILE 54 Cb 0.00 -0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 33.73 1of9 h ILE 54 CO 0.00 0.09 -0.20 0.44 -0.68 0.00 0.00 178.15 177.80 1of9 h ASP 55 N 0.49 0.37 0.47 1.72 5.19 -1.93 -2.85 116.42 119.88 1of9 h ASP 55 Ca 0.63 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.91 1of9 h ASP 55 Cb 1.22 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1of9 h ASP 55 CO -0.51 0.58 -0.23 0.11 -3.12 0.00 0.00 179.24 176.08 1of9 h LYS 56 N 0.34 -0.61 -0.96 3.56 1.79 0.17 0.49 116.57 121.36 1of9 h LYS 56 Ca 0.06 0.04 0.28 0.00 -2.18 0.00 0.00 60.65 58.85 1of9 h LYS 56 Cb 0.55 0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 31.19 1of9 h LYS 56 CO 0.04 -0.34 0.45 -0.07 -1.08 0.00 0.00 179.45 178.44 1of9 h LEU 57 N -0.76 0.34 -0.61 2.94 4.07 -0.96 1.52 115.31 121.85 1of9 h LEU 57 Ca -0.06 0.19 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 1of9 h LEU 57 Cb 0.54 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1of9 h LEU 57 CO 0.11 -0.12 -0.31 0.40 -1.08 0.00 0.00 178.44 177.44 1of9 h ILE 58 N 0.31 1.28 -0.54 1.22 2.04 -1.23 -2.68 117.51 117.91 1of9 h ILE 58 Ca 0.66 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1of9 h ILE 58 Cb 1.41 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 1of9 h ILE 58 CO -0.61 0.48 0.31 -0.61 0.00 0.00 0.00 178.15 177.72 1of9 h GLN 59 N 0.64 0.75 -0.09 2.37 4.15 0.42 -1.52 115.11 121.83 1of9 h GLN 59 Ca 0.07 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1of9 h GLN 59 Cb 0.84 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1of9 h GLN 59 CO 0.07 0.56 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.38 1of9 h LEU 60 N 0.73 -0.26 -0.46 -2.39 3.38 -0.38 -1.72 115.31 114.21 1of9 h LEU 60 Ca 0.19 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.31 1of9 h LEU 60 Cb 0.01 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1of9 h LEU 60 CO -0.03 -0.12 -0.02 -0.29 0.09 0.00 0.00 178.44 178.07 1of9 h ILE 61 N -0.10 0.62 -0.98 1.22 2.10 -1.15 0.24 117.51 119.46 1of9 h ILE 61 Ca 0.06 -0.03 0.20 0.00 1.08 0.00 0.00 64.86 66.17 1of9 h ILE 61 Cb 0.19 0.52 -0.09 0.00 -1.09 0.00 0.00 36.82 36.36 1of9 h ILE 61 CO -0.15 0.02 0.61 -0.33 -1.08 0.00 0.00 178.15 177.22 1of9 h GLU 62 N 0.09 0.62 0.24 2.19 4.39 -0.52 -2.55 114.58 119.03 1of9 h GLU 62 Ca 0.23 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1of9 h GLU 62 Cb 0.34 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1of9 h GLU 62 CO -0.40 0.41 -0.12 0.22 -1.16 0.00 0.00 179.01 177.96 1of9 h ASP 63 N 0.63 -0.28 0.00 1.42 3.58 0.21 -3.47 116.42 118.52 1of9 h ASP 63 Ca 0.54 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1of9 h ASP 63 Cb 1.01 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1of9 h ASP 63 CO -0.30 -0.08 0.00 2.29 -2.88 0.00 0.00 179.24 178.27 1of9 n LYS 64 N -3.56 0.00 -3.76 0.28 2.85 0.18 -5.11 118.16 109.04 1of9 n LYS 64 Ca -0.04 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.84 1of9 n LYS 64 Cb 0.13 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.38 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1of9 s VAL 65 N 0.00 3.84 0.98 0.58 1.01 -0.80 -4.97 120.40 121.04 1of9 s VAL 65 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1of9 s VAL 65 Cb 0.00 -3.09 0.18 0.00 0.00 0.00 0.00 36.38 33.47 1of9 s VAL 65 CO 0.00 -0.06 0.37 0.47 0.00 0.00 0.00 175.10 175.87 1of9 n ASP 66 N 4.83 -3.03 0.18 3.32 8.00 -1.26 -3.97 116.55 124.62 1of9 n ASP 66 Ca -0.13 -0.40 0.07 0.00 0.71 0.00 0.00 54.79 55.03 1of9 n ASP 66 Cb 0.46 -0.75 0.17 0.00 -0.02 0.00 0.00 41.12 40.98 1of9 n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1of9 h ALA 67 N -2.74 0.84 0.00 2.24 0.00 -1.97 -2.77 119.26 114.86 1of9 h ALA 67 Ca -0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1of9 h ALA 67 Cb 0.69 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1of9 h ALA 67 CO 0.13 0.38 -0.25 -0.97 0.00 0.00 0.00 179.25 178.55 1of9 h ASN 68 N 0.00 0.00 -1.21 0.00 -1.24 -1.88 -2.50 115.58 108.74 1of9 h ASN 68 Ca -0.00 -0.07 0.35 0.00 0.71 0.00 0.00 56.30 57.29 1of9 h ASN 68 Cb 1.13 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.13 1of9 h ASN 68 CO 0.04 0.66 0.86 0.00 -1.29 0.00 0.00 177.43 177.70 1of9 h ALA 69 N -0.93 3.06 0.11 1.57 0.00 -1.91 1.45 119.26 122.61 1of9 h ALA 69 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1of9 h ALA 69 Cb 0.30 0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.20 1of9 h ALA 69 CO -0.01 -1.42 -1.23 0.82 0.00 0.00 0.00 179.25 177.41 1of9 h ILE 70 N 0.04 1.30 0.09 0.00 1.08 -1.60 -2.91 117.51 115.51 1of9 h ILE 70 Ca 0.59 -2.48 -0.00 0.00 -0.39 0.00 0.00 64.86 62.57 1of9 h ILE 70 Cb 2.26 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 38.69 1of9 h ILE 70 CO -0.04 0.75 -0.04 0.00 -0.69 0.00 0.00 178.15 178.13 1of9 n ALA 72 N -2.15 0.68 -0.06 0.00 0.00 0.34 0.47 120.51 119.78 1of9 n ALA 72 Ca -0.01 0.81 -0.04 0.00 0.00 0.00 0.00 53.44 54.19 1of9 n ALA 72 Cb 0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1of9 n ALA 72 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1of9 h LYS 73 N 0.00 -0.11 -0.59 0.00 3.64 -1.52 1.00 116.57 118.99 1of9 h LYS 73 Ca 0.60 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1of9 h LYS 73 Cb 1.51 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1of9 h LYS 73 CO -0.64 -0.07 0.00 0.44 -2.27 0.00 0.00 179.45 176.90 1of9 n ILE 74 N -3.59 0.00 -3.20 2.00 -0.00 0.18 -4.80 119.36 109.94 1of9 n ILE 74 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.54 1of9 n ILE 74 Cb 0.11 -0.31 -0.01 0.00 -0.00 0.00 0.00 39.64 39.43 1of9 n ILE 74 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1of9 n HIS 75 N -0.16 -1.71 1.51 4.28 -0.00 0.34 -4.70 115.22 114.79 1of9 n HIS 75 Ca 0.00 0.36 0.13 0.00 -0.00 0.00 0.00 57.72 58.21 1of9 n HIS 75 Cb 0.15 -2.64 0.73 0.00 -0.00 0.00 0.00 29.99 28.23 1of9 n HIS 75 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1of9 n ALA 76 N -3.24 2.41 0.00 1.57 0.00 -0.84 -4.79 120.51 115.63 1of9 n ALA 76 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1of9 n ALA 76 Cb 0.54 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50