#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 0.00 -0.23 1.61 2.13 -1.26 -4.89 120.64 118.00 1of9 n GLU 2 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1of9 n GLU 2 Cb 0.00 -0.84 0.20 0.00 0.27 0.00 0.00 31.44 31.08 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 0.00 1.21 0.00 6.31 5.03 -1.95 -3.41 117.51 124.70 1of9 h ILE 3 Ca 0.00 -0.50 0.00 0.00 -0.12 0.00 0.00 64.86 64.24 1of9 h ILE 3 Cb 0.00 0.18 0.00 0.00 -3.03 0.00 0.00 36.82 33.97 1of9 h ILE 3 CO 0.00 0.23 0.00 0.18 -0.68 0.00 0.00 178.15 177.88 1of9 n LEU 4 N -4.38 0.00 0.08 1.44 4.77 -1.26 -5.01 117.00 112.65 1of9 n LEU 4 Ca 0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1of9 n LEU 4 Cb 0.08 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.41 1of9 n LEU 4 CO 0.37 0.00 0.70 0.00 -1.33 0.00 0.00 177.39 177.13 1of9 h ASN 6 N 0.25 0.00 0.42 0.00 -1.24 -1.94 0.12 115.58 113.19 1of9 h ASN 6 Ca 0.03 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1of9 h ASN 6 Cb 0.72 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.77 1of9 h ASN 6 CO 0.05 0.00 -0.20 0.25 -1.29 0.00 0.00 177.43 176.24 1of9 h LEU 7 N 0.00 -0.48 0.00 0.34 7.12 -1.69 -2.05 115.31 118.55 1of9 h LEU 7 Ca 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 1of9 h LEU 7 Cb 0.48 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1of9 h LEU 7 CO 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 178.44 178.25 1of9 n THR 9 N -1.01 -0.02 -0.06 0.00 -1.04 0.28 0.30 114.28 112.72 1of9 n THR 9 Ca 0.00 1.25 -0.12 0.00 -2.04 0.00 0.00 64.05 63.14 1of9 n THR 9 Cb 0.00 -2.09 -0.06 0.00 -1.82 0.00 0.00 70.33 66.36 1of9 n THR 9 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1of9 h GLY 10 N 0.00 0.42 2.00 3.41 0.00 -1.41 -1.15 103.07 106.34 1of9 h GLY 10 Ca 0.78 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.59 1of9 h GLY 10 CO -0.04 0.34 -0.67 0.17 0.00 0.00 0.00 176.54 176.34 1of9 h LEU 11 N 0.07 0.00 0.78 3.11 8.10 0.48 -2.78 115.31 125.06 1of9 h LEU 11 Ca 0.04 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.99 1of9 h LEU 11 Cb 0.58 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.81 1of9 h LEU 11 CO 0.03 0.67 -0.37 0.40 -4.11 0.00 0.00 178.44 175.06 1of9 h ILE 12 N 0.00 0.10 -0.95 0.15 1.08 -0.23 0.26 117.51 117.91 1of9 h ILE 12 Ca -0.01 -0.19 0.15 0.00 -0.39 0.00 0.00 64.86 64.43 1of9 h ILE 12 Cb 1.32 0.12 -0.09 0.00 -3.07 0.00 0.00 36.82 35.10 1of9 h ILE 12 CO 0.09 0.01 0.56 0.78 -0.69 0.00 0.00 178.15 178.90 1of9 h ASN 13 N -1.21 0.76 0.95 1.72 2.35 -1.27 0.98 115.58 119.85 1of9 h ASN 13 Ca -0.11 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1of9 h ASN 13 Cb 0.82 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1of9 h ASN 13 CO 0.18 0.35 0.00 0.00 -1.65 0.00 0.00 177.43 176.30 1of9 h THR 14 N 0.81 0.00 0.00 2.81 1.03 -1.28 -1.98 112.91 114.31 1of9 h THR 14 Ca 0.51 -0.39 -0.04 0.00 -0.01 0.00 0.00 66.41 66.48 1of9 h THR 14 Cb 0.65 1.25 -0.01 0.00 -1.07 0.00 0.00 68.15 68.98 1of9 h THR 14 CO -0.33 0.00 -0.25 -0.07 -0.01 0.00 0.00 175.52 174.86 1of9 h LEU 15 N 0.00 0.00 -2.27 0.00 4.07 0.46 -2.31 115.31 115.25 1of9 h LEU 15 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1of9 h LEU 15 Cb 0.47 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 1of9 h LEU 15 CO 0.00 0.20 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.43 1of9 h GLU 16 N 0.00 0.00 0.00 1.13 4.81 -0.55 -1.86 114.58 118.10 1of9 h GLU 16 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1of9 h GLU 16 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1of9 h GLU 16 CO 0.03 0.05 -1.74 -1.71 -0.73 0.00 0.00 179.01 174.91 1of9 n ASN 17 N -3.73 1.46 0.00 1.04 5.15 -1.19 -4.42 115.26 113.57 1of9 n ASN 17 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1of9 n ASN 17 Cb 0.14 1.62 0.00 0.00 -0.53 0.00 0.00 39.78 41.01 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 -2.09 0.00 -0.03 1.20 7.94 -0.70 -4.60 117.00 118.73 1of9 n LEU 18 Ca -0.05 0.34 -0.07 0.00 -1.11 0.00 0.00 56.01 55.12 1of9 n LEU 18 Cb 0.46 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.39 1of9 n LEU 18 CO 0.32 0.00 -0.59 0.18 -1.11 0.00 0.00 177.39 176.19 1of9 n LEU 19 N -0.67 0.87 -1.69 -1.96 4.32 -1.25 -5.05 117.00 111.58 1of9 n LEU 19 Ca 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1of9 n LEU 19 Cb 0.00 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 1of9 n LEU 19 CO 0.00 -0.09 0.00 1.07 -1.22 0.00 0.00 177.39 177.15 1of9 n THR 20 N -3.53 -0.40 -0.22 -5.08 5.66 -1.26 -2.93 114.28 106.52 1of9 n THR 20 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1of9 n THR 20 Cb 0.46 -1.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 1.91 0.00 0.00 1.09 5.66 -1.26 -4.92 114.28 116.76 1of9 n THR 21 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1of9 n THR 21 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1of9 n THR 21 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1of9 n LYS 22 N -2.00 0.00 0.00 1.09 0.00 -1.15 -5.00 118.16 111.10 1of9 n LYS 22 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.57 1of9 n LYS 22 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.24 1of9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1of9 n GLY 23 N 2.08 0.29 1.16 3.14 0.00 -1.26 -5.01 105.19 105.58 1of9 n GLY 23 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.37 0.00 -0.05 4.61 0.00 -1.26 -4.94 120.51 117.50 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 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 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 0.18 0.30 0.00 5.19 -2.02 -3.32 116.42 116.76 1of9 h ASP 25 Ca 0.00 -0.71 0.00 0.00 -0.62 0.00 0.00 57.03 55.70 1of9 h ASP 25 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1of9 h ASP 25 CO 0.00 1.59 0.00 1.17 -3.12 0.00 0.00 179.24 178.88 1of9 n LYS 26 N -4.10 0.13 0.16 3.56 3.00 -1.26 -2.19 118.16 117.46 1of9 n LYS 26 Ca -0.30 0.52 -0.14 0.00 -0.00 0.00 0.00 58.31 58.39 1of9 n LYS 26 Cb 0.81 -1.85 -0.08 0.00 0.00 0.00 0.00 35.03 33.91 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 0.73 0.00 3.15 3.04 -1.97 -1.60 116.25 119.60 1of9 h VAL 27 Ca 0.00 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1of9 h VAL 27 Cb 0.15 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1of9 h VAL 27 CO 0.00 0.10 0.00 0.07 -1.01 0.00 0.00 177.57 176.73 1of9 h LYS 28 N -0.66 0.00 0.04 4.17 2.10 -1.59 0.64 116.57 121.27 1of9 h LYS 28 Ca -0.04 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.39 1of9 h LYS 28 Cb 0.47 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 1of9 h LYS 28 CO 0.07 0.00 -1.02 0.22 -2.00 0.00 0.00 179.45 176.72 1of9 h ASP 29 N 0.00 0.25 0.26 7.07 3.58 -1.31 -2.70 116.42 123.57 1of9 h ASP 29 Ca 0.00 -0.23 -0.33 0.00 0.42 0.00 0.00 57.03 56.88 1of9 h ASP 29 Cb 0.15 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1of9 h ASP 29 CO 0.00 1.11 -1.97 0.00 -2.88 0.00 0.00 179.24 175.50 1of9 n TYR 30 N -3.54 0.83 0.25 0.28 4.19 0.00 -3.94 117.16 115.23 1of9 n TYR 30 Ca -0.04 0.25 0.11 0.00 3.31 0.00 0.00 57.90 61.53 1of9 n TYR 30 Cb 0.91 -1.13 0.64 0.00 0.49 0.00 0.00 39.34 40.24 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 0.02 0.63 -0.14 2.97 2.04 0.09 -2.54 117.51 120.58 1of9 h ILE 31 Ca -0.39 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1of9 h ILE 31 Cb 2.05 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1of9 h ILE 31 CO 0.06 0.16 -0.10 0.28 0.00 0.00 0.00 178.15 178.55 1of9 h SER 32 N 0.00 0.33 0.00 1.72 0.02 -1.61 0.51 113.55 114.52 1of9 h SER 32 Ca -0.00 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1of9 h SER 32 Cb 0.44 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1of9 h SER 32 CO 0.02 0.70 -0.12 -1.28 -1.14 0.00 0.00 176.83 175.01 1of9 h SER 33 N -0.05 -0.35 -0.11 3.07 0.87 -1.59 1.14 113.55 116.53 1of9 h SER 33 Ca 0.03 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1of9 h SER 33 Cb 0.59 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1of9 h SER 33 CO 0.03 -0.17 0.02 -0.07 -0.53 0.00 0.00 176.83 176.10 1of9 h LEU 34 N -0.21 0.18 -2.51 2.23 3.38 -1.49 -1.73 115.31 115.16 1of9 h LEU 34 Ca 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1of9 h LEU 34 Cb 0.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1of9 h LEU 34 CO -0.12 0.38 0.02 0.00 0.09 0.00 0.00 178.44 178.81 1of9 n ASN 36 N -3.74 5.77 -2.09 0.00 2.85 0.39 -3.28 115.26 115.17 1of9 n ASN 36 Ca -0.03 -2.59 -0.01 0.00 -0.11 0.00 0.00 54.58 51.85 1of9 n ASN 36 Cb 0.10 -1.41 0.06 0.00 1.24 0.00 0.00 39.78 39.78 1of9 n ASN 36 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1of9 n LYS 37 N 2.40 0.66 0.00 1.20 5.02 -0.99 -4.96 118.16 121.50 1of9 n LYS 37 Ca 0.47 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1of9 n LYS 37 Cb 0.80 0.20 0.00 0.00 -0.02 0.00 0.00 35.03 36.01 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1of9 n ALA 38 N -0.75 1.09 -4.32 7.82 0.00 -1.20 -5.00 120.51 118.14 1of9 n ALA 38 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1of9 n ALA 38 Cb 0.69 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 1of9 n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1of9 n SER 39 N -0.09 0.87 0.00 0.00 7.64 -1.26 -4.79 113.62 115.99 1of9 n SER 39 Ca 0.00 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.60 1of9 n SER 39 Cb 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.60 1of9 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1of9 n GLY 40 N -2.54 3.77 0.15 0.23 0.00 -1.26 -4.88 105.19 100.65 1of9 n GLY 40 Ca -0.32 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 0.66 0.00 1.61 3.04 -2.02 -3.11 116.94 117.12 1of9 h PHE 41 Ca 0.00 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.56 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 1.23 -0.32 -0.89 -2.02 0.00 0.00 178.31 176.31 1of9 n ILE 42 N -3.72 0.01 -0.26 1.41 -0.00 -1.26 -4.25 119.36 111.29 1of9 n ILE 42 Ca -0.08 -0.00 -0.07 0.00 -0.00 0.00 0.00 62.75 62.60 1of9 n ILE 42 Cb 0.89 -0.03 -0.06 0.00 -0.00 0.00 0.00 39.64 40.44 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 -1.51 -0.40 0.25 -1.39 0.00 -1.18 0.34 120.51 116.63 1of9 n ALA 43 Ca 0.06 0.53 0.10 0.00 0.00 0.00 0.00 53.44 54.12 1of9 n ALA 43 Cb 0.34 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.43 1of9 n ALA 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1of9 h THR 44 N 0.00 0.80 -0.39 0.00 2.02 -1.79 -0.60 112.91 112.95 1of9 h THR 44 Ca 0.10 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 1of9 h THR 44 Cb 0.25 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1of9 h THR 44 CO -0.58 0.14 -0.12 -0.07 0.37 0.00 0.00 175.52 175.26 1of9 h LEU 45 N 0.00 0.78 -0.01 2.58 3.38 0.54 -0.51 115.31 122.07 1of9 h LEU 45 Ca -0.00 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1of9 h LEU 45 Cb 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1of9 h LEU 45 CO 0.02 0.98 -0.00 0.00 0.09 0.00 0.00 178.44 179.52 1of9 h THR 47 N -0.38 0.67 0.76 0.00 2.02 -1.07 -1.50 112.91 113.40 1of9 h THR 47 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1of9 h THR 47 Cb 0.42 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1of9 h THR 47 CO 0.00 0.00 -0.37 0.11 0.37 0.00 0.00 175.52 175.64 1of9 h LYS 48 N 0.00 -0.98 -0.97 6.66 1.79 -0.75 0.11 116.57 122.42 1of9 h LYS 48 Ca 0.22 0.07 0.28 0.00 -2.18 0.00 0.00 60.65 59.04 1of9 h LYS 48 Cb 0.93 0.22 -0.14 0.00 -1.58 0.00 0.00 32.23 31.66 1of9 h LYS 48 CO -0.00 -0.65 0.50 0.28 -1.08 0.00 0.00 179.45 178.50 1of9 h VAL 49 N -1.04 0.37 0.80 0.50 2.07 -1.18 0.46 116.25 118.22 1of9 h VAL 49 Ca -0.10 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1of9 h VAL 49 Cb 0.79 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1of9 h VAL 49 CO 0.17 0.07 -0.39 -0.07 0.02 0.00 0.00 177.57 177.37 1of9 h LEU 50 N 0.37 -0.91 -1.56 2.57 3.38 -1.21 1.50 115.31 119.43 1of9 h LEU 50 Ca 0.67 0.03 0.30 0.00 0.09 0.00 0.00 57.88 58.97 1of9 h LEU 50 Cb 1.42 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 42.33 1of9 h LEU 50 CO -0.58 -0.55 0.74 0.44 0.09 0.00 0.00 178.44 178.57 1of9 h ASP 51 N -1.28 0.29 0.06 -0.43 3.32 0.14 -1.45 116.42 117.07 1of9 h ASP 51 Ca -0.11 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1of9 h ASP 51 Cb 0.83 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1of9 h ASP 51 CO 0.18 0.04 -0.03 0.15 -1.72 0.00 0.00 179.24 177.86 1of9 h PHE 52 N 0.25 -0.07 0.00 4.55 3.57 0.16 -3.50 116.94 121.89 1of9 h PHE 52 Ca 0.60 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1of9 h PHE 52 Cb 1.82 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.58 1of9 h PHE 52 CO -0.00 0.17 0.00 0.41 -2.23 0.00 0.00 178.31 176.66 1of9 n GLY 53 N 1.49 2.61 0.37 2.40 0.00 0.51 -4.79 105.19 107.77 1of9 n GLY 53 Ca -0.03 -0.59 0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 0.44 -0.65 -0.61 5.03 -1.79 1.60 117.51 121.53 1of9 h ILE 54 Ca 0.00 -0.15 0.01 0.00 -0.12 0.00 0.00 64.86 64.60 1of9 h ILE 54 Cb 0.00 -0.03 -0.03 0.00 -3.03 0.00 0.00 36.82 33.73 1of9 h ILE 54 CO 0.00 0.08 0.43 0.44 -0.68 0.00 0.00 178.15 178.42 1of9 h ASP 55 N 0.43 0.74 0.72 1.72 5.19 -1.91 -2.19 116.42 121.12 1of9 h ASP 55 Ca 0.67 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 57.03 1of9 h ASP 55 Cb 1.51 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 40.85 1of9 h ASP 55 CO -0.47 0.54 -0.35 0.11 -3.12 0.00 0.00 179.24 175.95 1of9 h LYS 56 N 0.88 -0.94 -1.11 3.56 1.79 0.20 0.36 116.57 121.31 1of9 h LYS 56 Ca 0.24 0.06 0.42 0.00 -2.18 0.00 0.00 60.65 59.19 1of9 h LYS 56 Cb -0.10 0.21 -0.16 0.00 -1.58 0.00 0.00 32.23 30.60 1of9 h LYS 56 CO -0.05 -0.63 0.64 -0.07 -1.08 0.00 0.00 179.45 178.26 1of9 h LEU 57 N -1.22 0.31 0.08 2.94 4.07 -1.07 0.51 115.31 120.93 1of9 h LEU 57 Ca -0.10 0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1of9 h LEU 57 Cb 0.75 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1of9 h LEU 57 CO 0.16 -0.35 -0.04 0.40 -1.08 0.00 0.00 178.44 177.53 1of9 h ILE 58 N 0.04 0.00 -0.95 1.22 2.04 -1.15 -2.87 117.51 115.85 1of9 h ILE 58 Ca 0.84 -0.08 0.37 0.00 1.00 0.00 0.00 64.86 66.99 1of9 h ILE 58 Cb 2.34 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 38.24 1of9 h ILE 58 CO -0.66 0.00 0.42 1.67 0.00 0.00 0.00 178.15 179.58 1of9 n GLN 59 N -2.53 -0.06 0.05 2.37 7.27 0.09 0.16 117.38 124.74 1of9 n GLN 59 Ca -0.01 1.34 -0.11 0.00 0.07 0.00 0.00 57.00 58.28 1of9 n GLN 59 Cb 0.04 -2.34 -0.04 0.00 2.41 0.00 0.00 30.24 30.31 1of9 n GLN 59 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1of9 h LEU 60 N 0.00 -0.57 -0.66 1.69 3.38 -0.10 -1.45 115.31 117.60 1of9 h LEU 60 Ca 0.76 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.96 1of9 h LEU 60 Cb 1.96 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 42.83 1of9 h LEU 60 CO -0.76 -0.26 -0.03 -0.29 0.09 0.00 0.00 178.44 177.19 1of9 h ILE 61 N -0.31 0.43 -0.82 1.22 2.10 0.18 0.77 117.51 121.07 1of9 h ILE 61 Ca 0.06 -0.03 0.13 0.00 1.08 0.00 0.00 64.86 66.10 1of9 h ILE 61 Cb 0.39 0.33 -0.06 0.00 -1.09 0.00 0.00 36.82 36.39 1of9 h ILE 61 CO -0.18 0.02 0.54 -0.33 -1.08 0.00 0.00 178.15 177.11 1of9 h GLU 62 N 0.09 0.60 0.14 2.19 4.39 -0.78 -2.87 114.58 118.34 1of9 h GLU 62 Ca 0.34 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1of9 h GLU 62 Cb 0.56 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1of9 h GLU 62 CO -0.59 0.39 -0.07 0.22 -1.16 0.00 0.00 179.01 177.81 1of9 h ASP 63 N 0.61 -0.16 0.00 1.42 3.58 0.14 -3.47 116.42 118.54 1of9 h ASP 63 Ca 0.40 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1of9 h ASP 63 Cb 0.69 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.78 1of9 h ASP 63 CO -0.16 -0.05 0.00 1.17 -2.88 0.00 0.00 179.24 177.32 1of9 n LYS 64 N -2.87 0.00 -3.91 0.28 3.00 0.15 -5.11 118.16 109.71 1of9 n LYS 64 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.97 1of9 n LYS 64 Cb 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.97 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 2.76 0.96 3.15 1.01 -0.89 -4.96 120.40 122.43 1of9 s VAL 65 Ca 0.00 -2.81 -0.12 0.00 0.00 0.00 0.00 61.98 59.06 1of9 s VAL 65 Cb 0.00 -2.92 0.17 0.00 0.00 0.00 0.00 36.38 33.63 1of9 s VAL 65 CO 0.00 -0.74 0.37 0.47 0.00 0.00 0.00 175.10 175.21 1of9 n ASP 66 N 3.71 -3.01 -0.13 3.32 9.92 -1.26 -3.31 116.55 125.79 1of9 n ASP 66 Ca 0.04 -0.39 -0.10 0.00 -0.53 0.00 0.00 54.79 53.80 1of9 n ASP 66 Cb 0.37 -0.74 -0.02 0.00 -0.64 0.00 0.00 41.12 40.10 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 -2.73 0.50 -0.10 2.24 0.00 -1.96 0.16 119.26 117.38 1of9 h ALA 67 Ca -0.19 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1of9 h ALA 67 Cb 0.64 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1of9 h ALA 67 CO 0.12 0.26 -0.76 -0.91 0.00 0.00 0.00 179.25 177.95 1of9 h ASN 68 N 0.47 0.84 -0.97 0.00 2.35 -1.89 0.19 115.58 116.57 1of9 h ASN 68 Ca 0.11 -0.67 0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1of9 h ASN 68 Cb 0.44 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1of9 h ASN 68 CO 0.02 1.38 0.63 0.00 -1.65 0.00 0.00 177.43 177.81 1of9 h ALA 69 N 0.48 1.38 0.01 -0.83 0.00 -1.83 0.55 119.26 119.02 1of9 h ALA 69 Ca -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1of9 h ALA 69 Cb 1.41 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1of9 h ALA 69 CO 0.16 0.51 -0.01 0.97 0.00 0.00 0.00 179.25 180.88 1of9 h ILE 70 N 1.21 1.54 0.00 0.00 -0.00 -0.62 -2.61 117.51 117.03 1of9 h ILE 70 Ca 0.39 -1.78 0.00 0.00 -0.00 0.00 0.00 64.86 63.47 1of9 h ILE 70 Cb 0.03 2.73 0.00 0.00 -0.00 0.00 0.00 36.82 39.58 1of9 h ILE 70 CO -0.12 0.45 0.08 0.00 -0.00 0.00 0.00 178.15 178.55 1of9 h ALA 72 N 1.82 0.18 -0.08 0.00 0.00 0.24 1.08 119.26 122.49 1of9 h ALA 72 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 54.91 53.95 1of9 h ALA 72 Cb 0.15 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1of9 h ALA 72 CO 0.00 1.05 -0.15 -0.22 0.00 0.00 0.00 179.25 179.93 1of9 h LYS 73 N 0.07 -0.20 0.00 0.00 3.11 0.27 0.43 116.57 120.25 1of9 h LYS 73 Ca -0.19 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 1of9 h LYS 73 Cb 2.00 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 33.28 1of9 h LYS 73 CO 0.19 -0.13 0.00 0.44 -2.81 0.00 0.00 179.45 177.13 1of9 n ILE 74 N -5.29 0.00 -1.81 2.00 -0.00 -1.12 -4.81 119.36 108.33 1of9 n ILE 74 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.54 1of9 n ILE 74 Cb 0.21 -0.46 -0.05 0.00 -0.00 0.00 0.00 39.64 39.34 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 -0.85 -0.30 0.00 4.28 -0.00 0.15 -4.88 115.22 113.62 1of9 n HIS 75 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1of9 n HIS 75 Cb 0.06 -3.16 0.00 0.00 -0.00 0.00 0.00 29.99 26.89 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 0.17 0.00 -0.67 1.57 0.00 0.37 -4.55 120.51 117.39 1of9 n ALA 76 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1of9 n ALA 76 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50