#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 -0.29 0.00 1.61 2.13 -1.26 -5.00 120.64 117.83 1of9 n GLU 2 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1of9 n GLU 2 Cb 0.00 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1of9 n GLU 2 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1of9 n ILE 3 N -1.30 0.00 -2.13 6.31 5.41 -1.26 -4.26 119.36 122.13 1of9 n ILE 3 Ca -0.01 0.88 0.04 0.00 1.00 0.00 0.00 62.75 64.66 1of9 n ILE 3 Cb 0.51 -1.45 0.06 0.00 -0.71 0.00 0.00 39.64 38.05 1of9 n ILE 3 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1of9 n LEU 4 N -0.70 1.19 0.00 1.39 4.77 -1.26 -4.87 117.00 117.51 1of9 n LEU 4 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 1of9 n LEU 4 Cb 0.00 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1of9 n LEU 4 CO 0.00 0.63 0.31 0.00 -1.33 0.00 0.00 177.39 177.00 1of9 h ASN 6 N 0.00 0.00 0.15 0.00 -1.24 -1.91 -0.84 115.58 111.74 1of9 h ASN 6 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 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 -0.07 0.25 -1.29 0.00 0.00 177.43 176.32 1of9 h LEU 7 N 0.00 -0.17 -0.21 0.34 5.85 -1.85 -1.23 115.31 118.05 1of9 h LEU 7 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1of9 h LEU 7 Cb 1.23 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1of9 h LEU 7 CO -0.00 -0.09 -0.46 0.00 -0.34 0.00 0.00 178.44 177.55 1of9 h THR 9 N -0.47 0.12 0.07 0.00 1.35 -1.33 1.20 112.91 113.85 1of9 h THR 9 Ca 0.08 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.68 1of9 h THR 9 Cb 0.63 0.44 0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1of9 h THR 9 CO -0.46 0.00 -1.11 1.23 -0.25 0.00 0.00 175.52 174.93 1of9 h GLY 10 N 0.00 0.43 1.14 5.82 0.00 0.24 -3.07 103.07 107.63 1of9 h GLY 10 Ca 0.15 -0.90 -0.34 0.00 0.00 0.00 0.00 47.33 46.23 1of9 h GLY 10 CO -0.00 0.79 -1.59 0.17 0.00 0.00 0.00 176.54 175.91 1of9 h LEU 11 N 0.17 0.72 -0.35 3.11 8.10 0.21 -3.24 115.31 124.03 1of9 h LEU 11 Ca -0.12 -0.88 0.08 0.00 0.11 0.00 0.00 57.88 57.06 1of9 h LEU 11 Cb 1.79 -0.23 -0.08 0.00 -0.44 0.00 0.00 40.66 41.69 1of9 h LEU 11 CO 0.19 1.72 -0.28 0.40 -4.11 0.00 0.00 178.44 176.36 1of9 h ILE 12 N 0.13 0.31 -0.67 0.15 1.08 -0.18 0.59 117.51 118.91 1of9 h ILE 12 Ca -0.29 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.30 1of9 h ILE 12 Cb 2.13 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 36.15 1of9 h ILE 12 CO 0.23 0.00 0.45 0.78 -0.69 0.00 0.00 178.15 178.92 1of9 h ASN 13 N -0.23 0.39 0.62 1.72 4.21 -1.65 0.46 115.58 121.09 1of9 h ASN 13 Ca 0.17 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.62 1of9 h ASN 13 Cb 0.50 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1of9 h ASN 13 CO -0.48 0.22 -0.34 0.74 -1.29 0.00 0.00 177.43 176.28 1of9 h THR 14 N 0.43 0.96 0.00 2.81 2.02 0.01 -2.32 112.91 116.82 1of9 h THR 14 Ca 0.32 -1.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.11 1of9 h THR 14 Cb 0.66 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1of9 h THR 14 CO -0.10 0.34 -0.34 -0.07 0.37 0.00 0.00 175.52 175.72 1of9 h LEU 15 N 0.00 0.00 -1.51 2.58 3.38 0.26 2.40 115.31 122.42 1of9 h LEU 15 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1of9 h LEU 15 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1of9 h LEU 15 CO 0.04 0.34 -0.23 -0.33 0.09 0.00 0.00 178.44 178.36 1of9 h GLU 16 N 0.00 0.00 0.00 1.13 5.08 -1.15 -2.86 114.58 116.79 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 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1of9 h GLU 16 CO 0.04 0.23 -1.21 -1.71 -1.00 0.00 0.00 179.01 175.37 1of9 n ASN 17 N -3.74 1.87 0.00 1.42 5.15 -0.71 -4.61 115.26 114.64 1of9 n ASN 17 Ca -0.01 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1of9 n ASN 17 Cb 0.34 1.36 0.00 0.00 -0.53 0.00 0.00 39.78 40.94 1of9 n ASN 17 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1of9 n LEU 18 N -1.70 0.00 0.01 1.20 7.94 0.80 -4.75 117.00 120.50 1of9 n LEU 18 Ca -0.01 0.23 -0.03 0.00 -1.11 0.00 0.00 56.01 55.09 1of9 n LEU 18 Cb 0.25 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.19 1of9 n LEU 18 CO 0.23 0.00 -0.32 0.18 -1.11 0.00 0.00 177.39 176.37 1of9 n LEU 19 N -0.38 1.01 -2.84 -1.96 4.32 -1.25 -4.97 117.00 110.94 1of9 n LEU 19 Ca 0.00 0.15 -0.16 0.00 -0.02 0.00 0.00 56.01 55.98 1of9 n LEU 19 Cb 0.00 -0.34 -0.03 0.00 -1.62 0.00 0.00 43.42 41.43 1of9 n LEU 19 CO 0.00 -0.41 -0.06 1.07 -1.22 0.00 0.00 177.39 176.77 1of9 n THR 20 N -3.56 0.00 0.00 -5.08 5.66 -1.25 -3.31 114.28 106.74 1of9 n THR 20 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1of9 n THR 20 Cb 0.26 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 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 -2.45 0.00 0.07 1.09 5.66 -1.26 -4.99 114.28 112.40 1of9 n THR 21 Ca 0.04 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.93 1of9 n THR 21 Cb 0.34 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.07 1of9 n THR 21 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1of9 h LYS 22 N 0.00 -0.42 0.00 1.09 3.64 -1.93 -3.46 116.57 115.50 1of9 h LYS 22 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1of9 h LYS 22 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1of9 h LYS 22 CO 0.00 -0.28 0.00 0.41 -2.27 0.00 0.00 179.45 177.31 1of9 n GLY 23 N -1.39 0.17 0.94 5.01 0.00 -1.26 -4.95 105.19 103.72 1of9 n GLY 23 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.04 4.61 0.00 -1.26 -4.95 120.51 118.95 1of9 n ALA 24 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1of9 n ALA 24 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 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 0.45 0.24 0.00 3.32 -2.01 -3.22 116.42 115.20 1of9 h ASP 25 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.14 1of9 h ASP 25 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1of9 h ASP 25 CO 0.00 1.48 0.00 0.50 -1.72 0.00 0.00 179.24 179.50 1of9 h LYS 26 N -0.34 0.00 0.26 3.56 1.63 -1.99 -2.23 116.57 117.46 1of9 h LYS 26 Ca -0.20 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1of9 h LYS 26 Cb 1.69 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 1of9 h LYS 26 CO 0.12 0.00 -0.13 -0.24 -3.45 0.00 0.00 179.45 175.76 1of9 h VAL 27 N 0.00 0.78 0.00 2.00 3.04 -1.97 0.51 116.25 120.62 1of9 h VAL 27 Ca 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1of9 h VAL 27 Cb 0.12 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1of9 h VAL 27 CO 0.00 0.07 0.00 2.29 -1.01 0.00 0.00 177.57 178.92 1of9 n LYS 28 N -5.17 0.14 0.09 4.17 2.85 -0.85 0.86 118.16 120.24 1of9 n LYS 28 Ca -0.10 0.46 -0.18 0.00 -1.05 0.00 0.00 58.31 57.44 1of9 n LYS 28 Cb 0.21 -1.81 -0.14 0.00 -0.65 0.00 0.00 35.03 32.64 1of9 n LYS 28 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1of9 h ASP 29 N 0.00 0.47 0.63 -5.58 3.58 -1.16 -2.87 116.42 111.49 1of9 h ASP 29 Ca 0.00 -0.58 -0.19 0.00 0.42 0.00 0.00 57.03 56.68 1of9 h ASP 29 Cb 0.23 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 1of9 h ASP 29 CO 0.00 1.47 -1.50 0.00 -2.88 0.00 0.00 179.24 176.33 1of9 n TYR 30 N -3.52 0.93 0.05 0.28 4.19 0.08 -3.17 117.16 116.00 1of9 n TYR 30 Ca -0.14 0.32 -0.07 0.00 3.31 0.00 0.00 57.90 61.31 1of9 n TYR 30 Cb 1.05 -1.09 0.10 0.00 0.49 0.00 0.00 39.34 39.89 1of9 n TYR 30 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1of9 h ILE 31 N 0.00 1.35 -0.05 2.97 2.04 0.34 -1.38 117.51 122.78 1of9 h ILE 31 Ca -0.19 -1.87 -0.22 0.00 1.00 0.00 0.00 64.86 63.58 1of9 h ILE 31 Cb 1.66 1.88 0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1of9 h ILE 31 CO 0.05 0.56 -0.88 0.28 0.00 0.00 0.00 178.15 178.16 1of9 h SER 32 N 0.29 0.67 -0.19 1.72 0.02 -1.63 0.44 113.55 114.87 1of9 h SER 32 Ca 0.00 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1of9 h SER 32 Cb 1.08 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1of9 h SER 32 CO 0.10 1.28 -0.17 -1.28 -1.14 0.00 0.00 176.83 175.62 1of9 h SER 33 N 0.33 0.61 0.00 3.07 0.87 -1.49 1.76 113.55 118.71 1of9 h SER 33 Ca -0.07 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 1of9 h SER 33 Cb 1.50 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1of9 h SER 33 CO 0.16 0.79 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.05 1of9 h LEU 34 N 0.55 0.01 -1.64 2.23 3.38 -1.21 -3.28 115.31 115.36 1of9 h LEU 34 Ca 0.09 -0.95 -0.04 0.00 0.09 0.00 0.00 57.88 57.07 1of9 h LEU 34 Cb 0.61 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1of9 h LEU 34 CO 0.04 1.05 -0.18 0.00 0.09 0.00 0.00 178.44 179.45 1of9 h ASN 36 N 0.00 0.00 -0.71 0.00 -1.24 0.26 0.48 115.58 114.37 1of9 h ASN 36 Ca -0.00 0.00 -0.45 0.00 0.71 0.00 0.00 56.30 56.56 1of9 h ASN 36 Cb 0.48 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.40 1of9 h ASN 36 CO 0.02 0.00 0.59 1.17 -1.29 0.00 0.00 177.43 177.93 1of9 n LYS 37 N -3.90 2.62 0.00 6.67 0.00 -1.01 -4.57 118.16 117.96 1of9 n LYS 37 Ca 0.44 -2.08 0.00 0.00 0.00 0.00 0.00 58.31 56.66 1of9 n LYS 37 Cb 2.01 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 34.84 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 1.59 0.00 -4.13 3.14 0.00 0.17 -4.93 120.51 116.34 1of9 n ALA 38 Ca 0.50 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 1of9 n ALA 38 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 0.04 0.00 0.00 2.88 -1.26 -4.70 113.62 110.58 1of9 n SER 39 Ca 0.00 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 1of9 n SER 39 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 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 -1.94 2.98 0.18 0.46 0.00 -1.26 -4.90 105.19 100.71 1of9 n GLY 40 Ca -0.16 0.01 -0.06 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 0.37 -0.00 1.61 3.04 -1.98 -2.64 116.94 117.34 1of9 h PHE 41 Ca 0.00 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.81 1of9 h PHE 41 Cb 0.00 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1of9 h PHE 41 CO 0.00 0.82 -0.27 -0.89 -2.02 0.00 0.00 178.31 175.95 1of9 n ILE 42 N -3.88 0.00 -0.27 1.41 -0.00 -1.26 -4.23 119.36 111.12 1of9 n ILE 42 Ca -0.03 -0.01 -0.07 0.00 -0.00 0.00 0.00 62.75 62.64 1of9 n ILE 42 Cb 0.62 -0.06 -0.07 0.00 -0.00 0.00 0.00 39.64 40.13 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 -1.42 -0.42 0.26 -1.39 0.00 -1.00 0.33 120.51 116.87 1of9 n ALA 43 Ca 0.07 0.55 0.12 0.00 0.00 0.00 0.00 53.44 54.18 1of9 n ALA 43 Cb 0.33 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.49 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 0.65 -0.37 0.00 1.03 -1.78 -1.46 112.91 110.97 1of9 h THR 44 Ca 0.10 -0.51 -0.13 0.00 -0.01 0.00 0.00 66.41 65.87 1of9 h THR 44 Cb 0.27 1.32 -0.01 0.00 -1.07 0.00 0.00 68.15 68.65 1of9 h THR 44 CO -0.61 0.12 -0.28 -0.07 -0.01 0.00 0.00 175.52 174.66 1of9 h LEU 45 N 0.00 0.82 0.20 0.00 3.38 0.51 0.23 115.31 120.45 1of9 h LEU 45 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1of9 h LEU 45 Cb 0.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1of9 h LEU 45 CO 0.02 1.05 -0.10 0.00 0.09 0.00 0.00 178.44 179.50 1of9 h THR 47 N -0.78 0.26 0.59 0.00 1.03 -1.29 -1.76 112.91 110.97 1of9 h THR 47 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.34 1of9 h THR 47 Cb 0.51 0.86 0.01 0.00 -1.07 0.00 0.00 68.15 68.45 1of9 h THR 47 CO 0.05 0.00 -0.29 0.11 -0.01 0.00 0.00 175.52 175.38 1of9 h LYS 48 N 0.00 -0.77 -0.87 0.00 1.79 -0.72 0.16 116.57 116.16 1of9 h LYS 48 Ca 0.04 0.05 0.20 0.00 -2.18 0.00 0.00 60.65 58.76 1of9 h LYS 48 Cb 0.36 0.17 -0.12 0.00 -1.58 0.00 0.00 32.23 31.07 1of9 h LYS 48 CO -0.00 -0.46 0.38 0.28 -1.08 0.00 0.00 179.45 178.56 1of9 h VAL 49 N -0.95 0.53 -0.07 0.50 2.07 -1.22 0.58 116.25 117.70 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 0.66 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1of9 h VAL 49 CO 0.13 0.08 0.03 -0.07 0.02 0.00 0.00 177.57 177.77 1of9 h LEU 50 N 0.43 0.09 -1.38 2.57 3.38 -1.33 1.35 115.31 120.43 1of9 h LEU 50 Ca 0.52 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.43 1of9 h LEU 50 Cb 0.93 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1of9 h LEU 50 CO -0.49 0.19 0.47 -0.78 0.09 0.00 0.00 178.44 177.92 1of9 h ASP 51 N -0.01 0.66 0.05 -0.43 1.82 0.23 -2.71 116.42 116.03 1of9 h ASP 51 Ca 0.02 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1of9 h ASP 51 Cb 0.12 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1of9 h ASP 51 CO -0.00 0.43 -0.03 0.15 -1.61 0.00 0.00 179.24 178.18 1of9 h PHE 52 N 0.75 -0.07 0.00 0.28 3.57 0.65 -3.50 116.94 118.63 1of9 h PHE 52 Ca 0.31 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1of9 h PHE 52 Cb 0.25 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1of9 h PHE 52 CO -0.00 0.55 0.00 0.41 -2.23 0.00 0.00 178.31 177.04 1of9 n GLY 53 N 1.07 2.51 0.39 2.40 0.00 0.46 -4.71 105.19 107.32 1of9 n GLY 53 Ca -0.08 -0.80 0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 0.37 -0.77 -0.61 5.03 -1.82 1.56 117.51 121.27 1of9 h ILE 54 Ca 0.00 -0.11 -0.05 0.00 -0.12 0.00 0.00 64.86 64.58 1of9 h ILE 54 Cb 0.00 0.01 -0.03 0.00 -3.03 0.00 0.00 36.82 33.77 1of9 h ILE 54 CO 0.00 0.06 0.29 0.44 -0.68 0.00 0.00 178.15 178.26 1of9 h ASP 55 N 0.33 1.08 0.46 1.72 5.19 -1.92 -2.69 116.42 120.59 1of9 h ASP 55 Ca 0.69 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.91 1of9 h ASP 55 Cb 1.75 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.98 1of9 h ASP 55 CO -0.44 0.97 -0.25 0.11 -3.12 0.00 0.00 179.24 176.50 1of9 h LYS 56 N 1.13 -0.64 -0.97 3.56 1.79 0.19 0.23 116.57 121.86 1of9 h LYS 56 Ca 0.25 0.04 0.31 0.00 -2.18 0.00 0.00 60.65 59.08 1of9 h LYS 56 Cb 0.24 0.15 -0.15 0.00 -1.58 0.00 0.00 32.23 30.89 1of9 h LYS 56 CO -0.02 -0.43 0.47 -0.07 -1.08 0.00 0.00 179.45 178.32 1of9 h LEU 57 N -0.67 0.34 -0.20 2.94 4.07 -1.07 1.03 115.31 121.76 1of9 h LEU 57 Ca -0.06 0.20 -0.10 0.00 0.08 0.00 0.00 57.88 58.00 1of9 h LEU 57 Cb 0.53 0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 1of9 h LEU 57 CO 0.07 -0.18 -0.28 0.40 -1.08 0.00 0.00 178.44 177.37 1of9 h ILE 58 N 0.26 1.33 -0.93 1.22 5.03 -1.03 -2.67 117.51 120.71 1of9 h ILE 58 Ca 0.70 -1.48 0.12 0.00 -0.12 0.00 0.00 64.86 64.07 1of9 h ILE 58 Cb 1.58 1.81 -0.08 0.00 -3.03 0.00 0.00 36.82 37.10 1of9 h ILE 58 CO -0.65 0.46 0.56 1.56 -0.68 0.00 0.00 178.15 179.40 1of9 h GLN 59 N 0.22 0.86 0.96 2.37 4.20 0.42 0.91 115.11 125.06 1of9 h GLN 59 Ca 0.02 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1of9 h GLN 59 Cb 0.86 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.45 1of9 h GLN 59 CO 0.07 0.57 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.26 1of9 h LEU 60 N 0.88 -1.09 -0.93 1.46 3.38 -0.35 -2.01 115.31 116.65 1of9 h LEU 60 Ca 0.47 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.71 1of9 h LEU 60 Cb 0.49 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.40 1of9 h LEU 60 CO -0.28 -0.75 0.45 -0.29 0.09 0.00 0.00 178.44 177.66 1of9 h ILE 61 N -1.35 0.47 -0.95 1.22 2.10 -1.07 0.81 117.51 118.74 1of9 h ILE 61 Ca -0.13 -0.15 0.10 0.00 1.08 0.00 0.00 64.86 65.76 1of9 h ILE 61 Cb 0.99 0.00 -0.08 0.00 -1.09 0.00 0.00 36.82 36.64 1of9 h ILE 61 CO 0.22 0.08 0.59 -0.33 -1.08 0.00 0.00 178.15 177.62 1of9 h GLU 62 N 0.43 0.94 0.23 2.19 4.39 -0.47 -2.99 114.58 119.30 1of9 h GLU 62 Ca 0.59 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 1of9 h GLU 62 Cb 1.14 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1of9 h GLU 62 CO -0.53 0.62 -0.11 0.22 -1.16 0.00 0.00 179.01 178.06 1of9 h ASP 63 N 0.97 -0.26 0.00 1.42 1.82 0.12 -3.48 116.42 117.01 1of9 h ASP 63 Ca 0.45 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1of9 h ASP 63 Cb 0.39 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1of9 h ASP 63 CO -0.24 0.11 0.00 1.17 -1.61 0.00 0.00 179.24 178.67 1of9 n LYS 64 N -4.48 0.00 -3.79 0.28 0.00 0.81 -5.11 118.16 105.88 1of9 n LYS 64 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 57.99 1of9 n LYS 64 Cb 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.99 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 0.73 0.97 3.15 1.01 -1.16 -4.93 120.40 120.16 1of9 s VAL 65 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1of9 s VAL 65 Cb 0.00 -1.13 0.15 0.00 0.00 0.00 0.00 36.38 35.39 1of9 s VAL 65 CO 0.00 -0.12 0.24 0.47 0.00 0.00 0.00 175.10 175.69 1of9 n ASP 66 N 4.98 -2.91 0.09 3.32 8.00 -1.26 -4.17 116.55 124.60 1of9 n ASP 66 Ca -0.10 -0.34 -0.02 0.00 0.71 0.00 0.00 54.79 55.04 1of9 n ASP 66 Cb 0.47 -0.74 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.57 0.55 0.00 2.24 0.00 -1.97 -2.86 119.26 114.65 1of9 h ALA 67 Ca -0.23 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 53.85 1of9 h ALA 67 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1of9 h ALA 67 CO 0.15 0.96 -0.47 -0.97 0.00 0.00 0.00 179.25 178.92 1of9 h ASN 68 N 0.00 0.01 -0.86 0.00 -1.24 -1.89 -2.17 115.58 109.43 1of9 h ASN 68 Ca -0.04 -0.83 0.16 0.00 0.71 0.00 0.00 56.30 56.30 1of9 h ASN 68 Cb 1.60 -0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.58 1of9 h ASN 68 CO 0.09 1.19 0.56 0.00 -1.29 0.00 0.00 177.43 177.98 1of9 h ALA 69 N -0.17 2.01 -0.05 1.57 0.00 -1.91 0.62 119.26 121.34 1of9 h ALA 69 Ca -0.13 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1of9 h ALA 69 Cb 1.13 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1of9 h ALA 69 CO -0.07 -0.26 -0.49 0.82 0.00 0.00 0.00 179.25 179.25 1of9 h ILE 70 N 0.53 1.42 0.00 0.00 1.08 -1.60 -2.68 117.51 116.26 1of9 h ILE 70 Ca 0.43 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1of9 h ILE 70 Cb 0.89 2.43 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 1of9 h ILE 70 CO -0.18 0.56 0.00 0.00 -0.69 0.00 0.00 178.15 177.84 1of9 h ALA 72 N 2.31 0.11 0.23 0.00 0.00 0.42 1.21 119.26 123.54 1of9 h ALA 72 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 54.91 53.81 1of9 h ALA 72 Cb 0.18 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1of9 h ALA 72 CO 0.00 0.98 -0.22 -0.22 0.00 0.00 0.00 179.25 179.79 1of9 h LYS 73 N 0.11 -0.43 0.00 0.00 3.11 -0.93 0.15 116.57 118.58 1of9 h LYS 73 Ca -0.32 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1of9 h LYS 73 Cb 2.11 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 33.43 1of9 h LYS 73 CO 0.19 -0.29 0.00 0.44 -2.81 0.00 0.00 179.45 176.99 1of9 n ILE 74 N -3.68 0.41 -3.29 2.00 -0.00 -1.18 -4.80 119.36 108.81 1of9 n ILE 74 Ca -0.05 0.10 -0.23 0.00 -0.00 0.00 0.00 62.75 62.57 1of9 n ILE 74 Cb 0.20 -0.92 0.05 0.00 -0.00 0.00 0.00 39.64 38.97 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 -1.16 -2.36 -1.16 4.28 -0.00 0.04 -4.83 115.22 110.02 1of9 n HIS 75 Ca 0.07 0.74 -0.23 0.00 -0.00 0.00 0.00 57.72 58.30 1of9 n HIS 75 Cb 0.07 -4.69 -0.11 0.00 -0.00 0.00 0.00 29.99 25.25 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 -4.20 6.81 -1.13 1.57 0.00 0.41 -4.90 120.51 119.09 1of9 n ALA 76 Ca -0.06 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1of9 n ALA 76 Cb 0.59 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50