#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 -6.98 -0.04 1.61 4.71 -1.26 -4.95 120.64 113.73 1of9 n GLU 2 Ca 0.00 0.84 -0.01 0.00 -0.01 0.00 0.00 57.16 57.98 1of9 n GLU 2 Cb 0.00 -5.85 -0.00 0.00 -1.01 0.00 0.00 31.44 24.58 1of9 n GLU 2 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1of9 h ILE 3 N -2.13 0.00 -0.49 -3.67 5.03 -1.97 -3.44 117.51 110.84 1of9 h ILE 3 Ca -0.58 -0.69 -0.27 0.00 -0.12 0.00 0.00 64.86 63.20 1of9 h ILE 3 Cb 1.35 0.00 -0.30 0.00 -3.03 0.00 0.00 36.82 34.84 1of9 h ILE 3 CO 0.51 0.00 -0.84 0.18 -0.68 0.00 0.00 178.15 177.33 1of9 n LEU 4 N -3.91 0.19 0.17 1.44 7.99 -1.26 -4.95 117.00 116.67 1of9 n LEU 4 Ca -0.01 -3.45 -0.13 0.00 -0.01 0.00 0.00 56.01 52.41 1of9 n LEU 4 Cb 0.05 0.29 -0.08 0.00 -0.11 0.00 0.00 43.42 43.57 1of9 n LEU 4 CO 0.02 1.57 0.49 0.00 -1.51 0.00 0.00 177.39 177.96 1of9 n ASN 6 N -5.13 0.05 0.07 0.00 5.15 -1.26 0.18 115.26 114.32 1of9 n ASN 6 Ca -0.09 1.06 -0.11 0.00 -0.60 0.00 0.00 54.58 54.84 1of9 n ASN 6 Cb 0.27 -0.53 -0.07 0.00 -0.53 0.00 0.00 39.78 38.92 1of9 n ASN 6 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1of9 h LEU 7 N 0.00 -0.22 0.00 1.20 6.46 -1.88 -1.33 115.31 119.54 1of9 h LEU 7 Ca 0.91 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 58.36 1of9 h LEU 7 Cb 3.50 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 43.49 1of9 h LEU 7 CO -0.11 0.30 0.00 0.00 -0.62 0.00 0.00 178.44 178.01 1of9 h THR 9 N 0.00 0.02 0.04 0.00 1.35 -0.85 2.88 112.91 116.34 1of9 h THR 9 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.59 1of9 h THR 9 Cb 0.00 0.03 0.02 0.00 -1.73 0.00 0.00 68.15 66.47 1of9 h THR 9 CO 0.00 0.00 -1.11 1.23 -0.25 0.00 0.00 175.52 175.39 1of9 h GLY 10 N 0.00 0.70 1.36 5.82 0.00 -1.08 -3.01 103.07 106.86 1of9 h GLY 10 Ca 0.52 -1.32 -0.31 0.00 0.00 0.00 0.00 47.33 46.22 1of9 h GLY 10 CO -0.01 1.16 -1.32 0.17 0.00 0.00 0.00 176.54 176.54 1of9 h LEU 11 N 0.33 0.75 -0.25 3.11 8.10 0.78 -3.22 115.31 124.91 1of9 h LEU 11 Ca -0.14 -0.75 0.06 0.00 0.11 0.00 0.00 57.88 57.16 1of9 h LEU 11 Cb 1.76 -0.24 -0.07 0.00 -0.44 0.00 0.00 40.66 41.67 1of9 h LEU 11 CO 0.21 1.57 -0.29 0.40 -4.11 0.00 0.00 178.44 176.23 1of9 h ILE 12 N 0.18 0.31 -0.75 0.15 1.08 -0.28 0.48 117.51 118.68 1of9 h ILE 12 Ca -0.20 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.43 1of9 h ILE 12 Cb 2.01 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 1of9 h ILE 12 CO 0.24 0.00 0.51 0.78 -0.69 0.00 0.00 178.15 178.99 1of9 h ASN 13 N -0.30 0.32 0.49 1.72 4.21 -1.62 0.59 115.58 121.00 1of9 h ASN 13 Ca 0.13 0.02 -0.10 0.00 1.21 0.00 0.00 56.30 57.57 1of9 h ASN 13 Cb 0.51 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1of9 h ASN 13 CO -0.42 0.16 -0.46 0.74 -1.29 0.00 0.00 177.43 176.16 1of9 h THR 14 N 0.34 1.30 0.00 2.81 2.02 -0.17 -2.13 112.91 117.08 1of9 h THR 14 Ca 0.37 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1of9 h THR 14 Cb 0.94 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1of9 h THR 14 CO -0.11 0.45 -0.11 -0.07 0.37 0.00 0.00 175.52 176.06 1of9 h LEU 15 N 0.00 0.00 -0.84 2.58 3.38 0.25 2.76 115.31 123.44 1of9 h LEU 15 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1of9 h LEU 15 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1of9 h LEU 15 CO 0.06 0.11 -0.27 -0.33 0.09 0.00 0.00 178.44 178.09 1of9 h GLU 16 N 0.00 0.00 -0.00 1.13 5.08 -1.07 -3.14 114.58 116.57 1of9 h GLU 16 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1of9 h GLU 16 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1of9 h GLU 16 CO 0.01 0.27 -0.05 -1.71 -1.00 0.00 0.00 179.01 176.53 1of9 n ASN 17 N -3.35 0.50 0.00 1.42 2.85 -0.53 -4.81 115.26 111.34 1of9 n ASN 17 Ca 0.01 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.73 1of9 n ASN 17 Cb 0.49 0.62 0.00 0.00 1.24 0.00 0.00 39.78 42.14 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 -0.60 0.00 0.04 1.20 7.94 0.91 -4.84 117.00 121.65 1of9 n LEU 18 Ca 0.01 0.11 -0.01 0.00 -1.11 0.00 0.00 56.01 55.01 1of9 n LEU 18 Cb 0.04 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.99 1of9 n LEU 18 CO 0.03 0.00 -0.06 0.18 -1.11 0.00 0.00 177.39 176.43 1of9 n LEU 19 N -0.15 1.14 -3.14 -1.96 4.32 -1.26 -4.98 117.00 110.98 1of9 n LEU 19 Ca 0.00 0.15 -0.20 0.00 -0.02 0.00 0.00 56.01 55.93 1of9 n LEU 19 Cb 0.00 -0.36 -0.04 0.00 -1.62 0.00 0.00 43.42 41.40 1of9 n LEU 19 CO 0.00 -0.71 -0.12 1.07 -1.22 0.00 0.00 177.39 176.41 1of9 n THR 20 N -3.55 -0.12 0.00 -5.08 5.66 -1.26 -3.61 114.28 106.32 1of9 n THR 20 Ca -0.01 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1of9 n THR 20 Cb 0.05 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 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 -2.44 0.00 0.44 1.09 5.66 -1.26 -5.00 114.28 112.78 1of9 n THR 21 Ca 0.01 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.82 1of9 n THR 21 Cb 0.26 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.95 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 -1.14 0.00 1.09 1.79 -1.95 -3.46 116.57 112.90 1of9 h LYS 22 Ca 0.00 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1of9 h LYS 22 Cb 0.00 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1of9 h LYS 22 CO 0.00 -0.76 0.00 0.41 -1.08 0.00 0.00 179.45 178.02 1of9 n GLY 23 N -1.60 0.10 0.45 3.86 0.00 -1.26 -5.00 105.19 101.75 1of9 n GLY 23 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.73 0.00 0.09 4.61 0.00 -1.26 -4.97 120.51 118.25 1of9 n ALA 24 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1of9 n ALA 24 Cb 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 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 0.66 0.38 0.00 3.32 -2.01 -3.24 116.42 115.53 1of9 h ASP 25 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1of9 h ASP 25 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1of9 h ASP 25 CO 0.00 1.77 0.00 1.17 -1.72 0.00 0.00 179.24 180.46 1of9 n LYS 26 N -3.64 0.15 0.10 3.56 3.00 -1.26 -2.26 118.16 117.81 1of9 n LYS 26 Ca -0.23 0.50 -0.13 0.00 -0.00 0.00 0.00 58.31 58.45 1of9 n LYS 26 Cb 1.07 -1.85 -0.08 0.00 0.00 0.00 0.00 35.03 34.16 1of9 n LYS 26 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1of9 h VAL 27 N 0.00 0.90 0.00 3.15 3.04 -1.97 0.20 116.25 121.57 1of9 h VAL 27 Ca 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1of9 h VAL 27 Cb 0.19 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1of9 h VAL 27 CO 0.00 0.13 0.00 0.07 -1.01 0.00 0.00 177.57 176.76 1of9 h LYS 28 N -0.56 0.00 0.13 4.17 2.10 -1.60 0.62 116.57 121.43 1of9 h LYS 28 Ca -0.03 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.34 1of9 h LYS 28 Cb 0.42 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1of9 h LYS 28 CO 0.04 0.00 -1.23 0.22 -2.00 0.00 0.00 179.45 176.48 1of9 h ASP 29 N 0.00 0.56 0.45 7.07 1.82 -1.07 -2.61 116.42 122.63 1of9 h ASP 29 Ca 0.00 -0.56 -0.30 0.00 -0.39 0.00 0.00 57.03 55.78 1of9 h ASP 29 Cb 0.50 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.29 1of9 h ASP 29 CO 0.00 1.41 -1.71 0.22 -1.61 0.00 0.00 179.24 177.56 1of9 h TYR 30 N 0.13 0.11 0.00 0.28 5.03 -0.17 -3.26 116.97 119.09 1of9 h TYR 30 Ca -0.15 -0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.01 1of9 h TYR 30 Cb 1.93 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 40.20 1of9 h TYR 30 CO 0.08 1.16 -0.34 0.82 -1.32 0.00 0.00 178.16 178.56 1of9 h ILE 31 N 0.02 1.04 0.05 1.81 2.04 0.13 -2.27 117.51 120.32 1of9 h ILE 31 Ca -0.29 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.32 1of9 h ILE 31 Cb 2.00 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1of9 h ILE 31 CO 0.09 0.33 -0.02 0.28 0.00 0.00 0.00 178.15 178.82 1of9 h SER 32 N 0.00 -0.06 -0.92 1.72 0.02 -1.57 0.44 113.55 113.18 1of9 h SER 32 Ca -0.00 -0.47 0.10 0.00 -0.84 0.00 0.00 61.79 60.58 1of9 h SER 32 Cb 0.68 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.16 1of9 h SER 32 CO 0.04 0.46 0.56 -1.28 -1.14 0.00 0.00 176.83 175.48 1of9 h SER 33 N -0.60 0.83 0.18 3.07 0.87 -1.57 1.85 113.55 118.17 1of9 h SER 33 Ca -0.01 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1of9 h SER 33 Cb 0.53 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1of9 h SER 33 CO 0.01 0.46 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.62 1of9 h LEU 34 N 0.92 -0.20 -1.74 2.23 3.38 -1.39 -2.88 115.31 115.64 1of9 h LEU 34 Ca 0.45 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1of9 h LEU 34 Cb 0.40 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1of9 h LEU 34 CO -0.25 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1of9 n ASN 36 N -2.49 6.00 -2.40 0.00 2.85 0.62 -3.43 115.26 116.41 1of9 n ASN 36 Ca -0.01 -2.57 -0.03 0.00 -0.11 0.00 0.00 54.58 51.86 1of9 n ASN 36 Cb 0.08 -1.43 0.10 0.00 1.24 0.00 0.00 39.78 39.77 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 2.52 1.15 0.00 1.20 3.00 -1.13 -4.95 118.16 119.96 1of9 n LYS 37 Ca 0.50 -1.20 0.00 0.00 -0.00 0.00 0.00 58.31 57.61 1of9 n LYS 37 Cb 0.76 0.42 0.00 0.00 0.00 0.00 0.00 35.03 36.21 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 -1.29 0.41 -4.18 3.14 0.00 -1.22 -4.97 120.51 112.39 1of9 n ALA 38 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 1of9 n ALA 38 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.16 0.10 0.00 0.00 2.88 -1.26 -4.76 113.62 110.42 1of9 n SER 39 Ca 0.00 -1.19 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 1of9 n SER 39 Cb 0.00 -2.08 0.00 0.00 -0.75 0.00 0.00 64.21 61.38 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 -2.35 2.01 0.32 0.46 0.00 -1.26 -4.90 105.19 99.46 1of9 n GLY 40 Ca -0.30 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.00 1.61 3.04 -2.01 0.63 116.94 120.21 1of9 h PHE 41 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1of9 h PHE 41 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1of9 h PHE 41 CO 0.00 0.00 -0.31 -0.89 -2.02 0.00 0.00 178.31 175.09 1of9 n ILE 42 N -4.26 0.00 -0.27 1.41 -0.00 -1.26 -4.25 119.36 110.73 1of9 n ILE 42 Ca 0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 62.75 62.69 1of9 n ILE 42 Cb 0.30 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.64 39.86 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 -1.46 -0.41 0.25 -1.39 0.00 0.22 0.32 120.51 118.04 1of9 n ALA 43 Ca 0.07 0.54 0.11 0.00 0.00 0.00 0.00 53.44 54.16 1of9 n ALA 43 Cb 0.33 0.01 0.66 0.00 0.00 0.00 0.00 19.45 20.46 1of9 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1of9 h THR 44 N 0.00 0.71 -0.51 0.00 1.03 -1.74 -1.81 112.91 110.60 1of9 h THR 44 Ca 0.10 -0.58 -0.13 0.00 -0.01 0.00 0.00 66.41 65.79 1of9 h THR 44 Cb 0.26 1.36 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 1of9 h THR 44 CO -0.60 0.14 -0.18 -0.07 -0.01 0.00 0.00 175.52 174.80 1of9 h LEU 45 N 0.00 1.03 0.58 0.00 3.38 0.48 0.14 115.31 120.92 1of9 h LEU 45 Ca -0.00 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1of9 h LEU 45 Cb 0.35 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1of9 h LEU 45 CO 0.02 1.18 -0.28 0.00 0.09 0.00 0.00 178.44 179.45 1of9 n THR 47 N -5.33 1.12 0.09 0.00 -1.04 -0.81 -1.70 114.28 106.61 1of9 n THR 47 Ca -0.11 0.71 -0.13 0.00 -2.04 0.00 0.00 64.05 62.48 1of9 n THR 47 Cb 0.34 -1.71 -0.08 0.00 -1.82 0.00 0.00 70.33 67.05 1of9 n THR 47 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1of9 h LYS 48 N 0.00 -0.22 -0.37 -2.82 1.79 -0.22 0.26 116.57 114.99 1of9 h LYS 48 Ca 0.00 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1of9 h LYS 48 Cb 0.00 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1of9 h LYS 48 CO 0.00 0.12 0.21 0.28 -1.08 0.00 0.00 179.45 178.98 1of9 h VAL 49 N -0.59 1.02 -0.21 0.50 2.07 -1.19 0.27 116.25 118.12 1of9 h VAL 49 Ca -0.02 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1of9 h VAL 49 Cb 0.44 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1of9 h VAL 49 CO 0.04 0.08 0.08 -0.07 0.02 0.00 0.00 177.57 177.72 1of9 h LEU 50 N 0.43 0.10 -1.45 2.57 3.38 -1.49 1.91 115.31 120.75 1of9 h LEU 50 Ca 0.15 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1of9 h LEU 50 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1of9 h LEU 50 CO -0.08 0.09 0.40 0.44 0.09 0.00 0.00 178.44 179.38 1of9 h ASP 51 N 0.18 0.62 0.08 -0.43 5.19 0.10 -2.91 116.42 119.25 1of9 h ASP 51 Ca 0.09 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1of9 h ASP 51 Cb 0.05 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1of9 h ASP 51 CO -0.08 0.43 -0.04 0.15 -3.12 0.00 0.00 179.24 176.58 1of9 h PHE 52 N 0.72 -0.10 0.00 4.55 3.57 0.87 -3.50 116.94 123.05 1of9 h PHE 52 Ca 0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1of9 h PHE 52 Cb 0.07 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1of9 h PHE 52 CO -0.00 0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.88 1of9 n GLY 53 N 1.19 2.57 0.36 2.40 0.00 0.63 -4.74 105.19 107.60 1of9 n GLY 53 Ca -0.06 -0.63 0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 0.47 -0.19 -0.61 5.03 -1.82 1.66 117.51 122.05 1of9 h ILE 54 Ca 0.00 -0.16 -0.09 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 -0.28 0.44 -0.68 0.00 0.00 178.15 177.72 1of9 h ASP 55 N 0.48 0.37 0.41 1.72 5.19 -1.93 -2.85 116.42 119.81 1of9 h ASP 55 Ca 0.66 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.93 1of9 h ASP 55 Cb 1.42 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1of9 h ASP 55 CO -0.47 0.64 -0.20 0.11 -3.12 0.00 0.00 179.24 176.21 1of9 h LYS 56 N 0.32 -0.53 -1.01 3.56 1.79 0.21 0.16 116.57 121.07 1of9 h LYS 56 Ca 0.05 0.04 0.27 0.00 -2.18 0.00 0.00 60.65 58.83 1of9 h LYS 56 Cb 0.67 0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 31.30 1of9 h LYS 56 CO 0.05 -0.29 0.59 -0.07 -1.08 0.00 0.00 179.45 178.65 1of9 h LEU 57 N -0.67 0.61 -0.66 2.94 4.07 -1.04 1.69 115.31 122.25 1of9 h LEU 57 Ca -0.06 0.16 -0.15 0.00 0.08 0.00 0.00 57.88 57.91 1of9 h LEU 57 Cb 0.49 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1of9 h LEU 57 CO 0.09 0.02 -0.63 0.40 -1.08 0.00 0.00 178.44 177.24 1of9 h ILE 58 N 0.48 1.41 -0.42 1.22 2.04 -1.20 -2.96 117.51 118.08 1of9 h ILE 58 Ca 0.68 -2.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 1of9 h ILE 58 Cb 1.40 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 1of9 h ILE 58 CO -0.52 0.60 0.05 1.56 0.00 0.00 0.00 178.15 179.85 1of9 h GLN 59 N 0.12 0.70 -0.22 2.37 4.20 0.53 -2.05 115.11 120.76 1of9 h GLN 59 Ca -0.01 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.54 1of9 h GLN 59 Cb 1.13 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 1of9 h GLN 59 CO 0.09 0.75 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.92 1of9 h LEU 60 N 0.55 -0.11 -0.37 1.46 3.38 -0.49 -1.88 115.31 117.85 1of9 h LEU 60 Ca 0.13 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1of9 h LEU 60 Cb 0.40 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1of9 h LEU 60 CO 0.01 -0.03 -0.03 -0.29 0.09 0.00 0.00 178.44 178.19 1of9 h ILE 61 N 0.05 0.69 -1.11 1.22 2.10 -1.36 0.13 117.51 119.23 1of9 h ILE 61 Ca 0.11 -0.02 0.32 0.00 1.08 0.00 0.00 64.86 66.34 1of9 h ILE 61 Cb 0.14 0.62 -0.11 0.00 -1.09 0.00 0.00 36.82 36.38 1of9 h ILE 61 CO -0.19 0.01 0.71 -0.33 -1.08 0.00 0.00 178.15 177.27 1of9 h GLU 62 N 0.06 0.29 0.00 2.19 4.39 -0.61 -2.43 114.58 118.48 1of9 h GLU 62 Ca 0.18 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1of9 h GLU 62 Cb 0.26 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1of9 h GLU 62 CO -0.33 0.19 0.00 -3.47 -1.16 0.00 0.00 179.01 174.24 1of9 n ASP 63 N -4.71 0.00 0.00 1.42 2.03 0.31 -4.95 116.55 110.65 1of9 n ASP 63 Ca 0.30 0.59 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1of9 n ASP 63 Cb 1.04 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1of9 n ASP 63 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1of9 n LYS 64 N -1.87 0.00 -3.62 -0.67 3.00 -0.38 -5.12 118.16 109.49 1of9 n LYS 64 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 1of9 n LYS 64 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1of9 s VAL 65 N 0.00 4.36 0.73 3.15 1.01 -0.80 -4.97 120.40 123.89 1of9 s VAL 65 Ca 0.00 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1of9 s VAL 65 Cb 0.00 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 33.01 1of9 s VAL 65 CO 0.00 -0.32 0.33 0.47 0.00 0.00 0.00 175.10 175.58 1of9 n ASP 66 N 4.95 -2.57 0.18 3.32 9.92 -1.26 -3.72 116.55 127.37 1of9 n ASP 66 Ca -0.11 -0.33 0.08 0.00 -0.53 0.00 0.00 54.79 53.89 1of9 n ASP 66 Cb 0.45 -0.55 0.10 0.00 -0.64 0.00 0.00 41.12 40.48 1of9 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1of9 h ALA 67 N -2.50 0.85 0.00 2.24 0.00 -1.96 -2.81 119.26 115.09 1of9 h ALA 67 Ca -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1of9 h ALA 67 Cb 0.50 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1of9 h ALA 67 CO 0.09 0.28 -0.16 -0.97 0.00 0.00 0.00 179.25 178.49 1of9 h ASN 68 N 0.00 0.00 -1.01 0.00 -0.73 -1.89 -2.45 115.58 109.50 1of9 h ASN 68 Ca -0.00 -0.10 0.26 0.00 1.87 0.00 0.00 56.30 58.33 1of9 h ASN 68 Cb 1.17 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.69 1of9 h ASN 68 CO 0.03 0.63 0.68 0.00 -0.37 0.00 0.00 177.43 178.40 1of9 h ALA 69 N -0.90 2.49 -0.04 1.57 0.00 -1.91 1.37 119.26 121.85 1of9 h ALA 69 Ca -0.01 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1of9 h ALA 69 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1of9 h ALA 69 CO -0.01 -0.83 -0.79 0.82 0.00 0.00 0.00 179.25 178.44 1of9 h ILE 70 N 0.26 1.41 0.09 0.00 1.08 -1.60 -2.53 117.51 116.23 1of9 h ILE 70 Ca 0.53 -2.30 -0.00 0.00 -0.39 0.00 0.00 64.86 62.70 1of9 h ILE 70 Cb 1.60 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 37.60 1of9 h ILE 70 CO -0.17 0.68 -0.05 0.00 -0.69 0.00 0.00 178.15 177.93 1of9 h ALA 72 N -1.66 3.64 -0.33 0.00 0.00 0.92 0.66 119.26 122.49 1of9 h ALA 72 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1of9 h ALA 72 Cb 0.10 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1of9 h ALA 72 CO 0.02 -2.21 0.00 1.17 0.00 0.00 0.00 179.25 178.23 1of9 n LYS 73 N -3.85 0.00 0.00 0.00 0.00 -0.95 -0.22 118.16 113.14 1of9 n LYS 73 Ca 0.39 0.67 0.05 0.00 0.00 0.00 0.00 58.31 59.41 1of9 n LYS 73 Cb 1.85 -1.44 0.27 0.00 0.00 0.00 0.00 35.03 35.70 1of9 n LYS 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1of9 n ILE 74 N -2.26 0.00 -2.22 3.15 -0.00 0.14 -4.84 119.36 113.34 1of9 n ILE 74 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.72 1of9 n ILE 74 Cb 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 39.64 38.86 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 -0.94 -1.96 -0.42 4.28 -0.00 0.69 -4.91 115.22 111.96 1of9 n HIS 75 Ca 0.07 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.60 1of9 n HIS 75 Cb 0.03 -2.91 0.00 0.00 -0.00 0.00 0.00 29.99 27.11 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 -0.24 1.53 -1.19 1.57 0.00 -1.19 -4.86 120.51 116.12 1of9 n ALA 76 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1of9 n ALA 76 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50