#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 -0.05 1.61 4.07 -1.26 -4.81 120.64 120.20 1of9 n GLU 2 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1of9 n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1of9 n GLU 2 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1of9 n ILE 3 N 0.00 0.55 -2.30 6.31 5.41 -1.26 -4.79 119.36 123.28 1of9 n ILE 3 Ca 0.00 -0.14 -0.05 0.00 1.00 0.00 0.00 62.75 63.57 1of9 n ILE 3 Cb 0.00 -1.64 0.07 0.00 -0.71 0.00 0.00 39.64 37.36 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 -3.45 2.58 0.00 1.39 4.77 -1.05 -4.88 117.00 116.37 1of9 n LEU 4 Ca -0.19 -3.44 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 1of9 n LEU 4 Cb 0.64 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1of9 n LEU 4 CO 0.01 1.28 0.31 0.00 -1.33 0.00 0.00 177.39 177.66 1of9 h ASN 6 N 0.00 0.00 0.07 0.00 -0.73 -1.90 -0.81 115.58 112.20 1of9 h ASN 6 Ca 0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1of9 h ASN 6 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1of9 h ASN 6 CO 0.00 0.00 -0.03 0.25 -0.37 0.00 0.00 177.43 177.28 1of9 h LEU 7 N 0.00 -0.08 -0.24 0.34 5.85 -1.85 -0.48 115.31 118.85 1of9 h LEU 7 Ca 0.11 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1of9 h LEU 7 Cb 1.01 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 1of9 h LEU 7 CO -0.00 -0.05 -0.35 0.00 -0.34 0.00 0.00 178.44 177.70 1of9 h THR 9 N -0.36 0.14 -0.02 0.00 2.02 -1.25 0.90 112.91 114.34 1of9 h THR 9 Ca 0.12 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.08 1of9 h THR 9 Cb 0.56 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1of9 h THR 9 CO -0.44 0.00 -0.90 1.23 0.37 0.00 0.00 175.52 175.78 1of9 h GLY 10 N 0.00 0.47 1.20 2.16 0.00 0.27 -3.05 103.07 104.12 1of9 h GLY 10 Ca 0.13 -0.79 -0.33 0.00 0.00 0.00 0.00 47.33 46.33 1of9 h GLY 10 CO -0.00 0.70 -1.54 0.17 0.00 0.00 0.00 176.54 175.87 1of9 h LEU 11 N 0.25 0.71 -0.54 3.11 8.10 0.12 -3.21 115.31 123.85 1of9 h LEU 11 Ca -0.07 -0.85 0.11 0.00 0.11 0.00 0.00 57.88 57.18 1of9 h LEU 11 Cb 1.53 -0.23 -0.10 0.00 -0.44 0.00 0.00 40.66 41.41 1of9 h LEU 11 CO 0.16 1.68 -0.15 0.40 -4.11 0.00 0.00 178.44 176.42 1of9 h ILE 12 N 0.12 0.43 -0.31 0.15 1.08 -0.66 0.83 117.51 119.16 1of9 h ILE 12 Ca -0.27 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1of9 h ILE 12 Cb 2.13 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1of9 h ILE 12 CO 0.24 0.00 0.19 0.78 -0.69 0.00 0.00 178.15 178.66 1of9 h ASN 13 N -0.02 0.37 1.11 1.72 4.21 -1.63 0.13 115.58 121.47 1of9 h ASN 13 Ca 0.26 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.74 1of9 h ASN 13 Cb 0.42 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.52 1of9 h ASN 13 CO -0.57 0.29 -0.09 0.74 -1.29 0.00 0.00 177.43 176.51 1of9 h THR 14 N 0.43 0.22 -0.03 2.81 2.02 0.49 -2.62 112.91 116.22 1of9 h THR 14 Ca 0.11 -0.82 -0.17 0.00 0.77 0.00 0.00 66.41 66.31 1of9 h THR 14 Cb -0.01 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1of9 h THR 14 CO -0.02 0.09 -0.73 -0.07 0.37 0.00 0.00 175.52 175.15 1of9 h LEU 15 N 0.00 0.25 -0.97 2.58 3.38 0.23 1.34 115.31 122.13 1of9 h LEU 15 Ca -0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1of9 h LEU 15 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1of9 h LEU 15 CO 0.01 0.90 -0.20 -0.33 0.09 0.00 0.00 178.44 178.91 1of9 h GLU 16 N 0.14 0.00 -0.01 1.13 5.08 -1.16 -2.84 114.58 116.92 1of9 h GLU 16 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1of9 h GLU 16 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1of9 h GLU 16 CO 0.11 0.20 -0.13 -1.71 -1.00 0.00 0.00 179.01 176.48 1of9 n ASN 17 N -3.30 1.50 0.00 1.42 5.15 -1.08 -4.77 115.26 114.18 1of9 n ASN 17 Ca 0.01 -1.25 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 1of9 n ASN 17 Cb 0.45 0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 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 0.10 0.00 -0.01 1.20 7.94 0.46 -4.81 117.00 121.88 1of9 n LEU 18 Ca 0.05 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.91 1of9 n LEU 18 Cb 0.24 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.17 1of9 n LEU 18 CO 0.10 0.00 -0.31 0.18 -1.11 0.00 0.00 177.39 176.25 1of9 n LEU 19 N 0.00 1.39 -3.92 -1.96 4.32 -1.26 -4.98 117.00 110.58 1of9 n LEU 19 Ca 0.00 0.21 -0.31 0.00 -0.02 0.00 0.00 56.01 55.89 1of9 n LEU 19 Cb 0.00 -0.48 -0.07 0.00 -1.62 0.00 0.00 43.42 41.25 1of9 n LEU 19 CO 0.00 -0.51 -0.21 1.07 -1.22 0.00 0.00 177.39 176.52 1of9 n THR 20 N -3.85 -0.27 0.00 -5.08 5.66 -1.26 -4.02 114.28 105.46 1of9 n THR 20 Ca -0.07 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1of9 n THR 20 Cb 0.24 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 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 -3.50 0.00 0.00 1.09 5.66 -1.26 -5.04 114.28 111.23 1of9 n THR 21 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1of9 n THR 21 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.71 0.00 -3.19 1.09 3.00 -1.26 -4.97 118.16 111.12 1of9 n LYS 22 Ca 0.00 0.15 0.01 0.00 -0.00 0.00 0.00 58.31 58.48 1of9 n LYS 22 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 35.03 34.43 1of9 n LYS 22 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1of9 s GLY 23 N -1.44 -1.27 0.60 3.14 0.00 -1.26 -4.98 107.32 102.10 1of9 s GLY 23 Ca 0.00 0.35 0.24 0.00 0.00 0.00 0.00 44.72 45.31 1of9 s GLY 23 CO 0.00 3.69 1.73 0.00 0.00 0.00 0.00 173.10 178.52 1of9 h ALA 24 N 7.09 1.35 -1.07 3.20 0.00 -1.93 0.13 119.26 128.04 1of9 h ALA 24 Ca 0.04 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.25 1of9 h ALA 24 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1of9 h ALA 24 CO 0.10 -0.35 0.74 -0.44 0.00 0.00 0.00 179.25 179.31 1of9 h ASP 25 N 0.00 0.13 0.71 0.00 5.19 -2.02 2.96 116.42 123.38 1of9 h ASP 25 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1of9 h ASP 25 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1of9 h ASP 25 CO 0.00 0.03 0.00 0.50 -3.12 0.00 0.00 179.24 176.65 1of9 h LYS 26 N 0.12 0.00 0.18 3.56 1.63 -1.17 -2.83 116.57 118.06 1of9 h LYS 26 Ca 0.53 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1of9 h LYS 26 Cb 1.89 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.51 1of9 h LYS 26 CO -0.09 0.00 -0.13 -0.24 -3.45 0.00 0.00 179.45 175.54 1of9 h VAL 27 N 0.00 0.72 0.00 2.00 3.04 0.52 0.14 116.25 122.66 1of9 h VAL 27 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1of9 h VAL 27 Cb 0.36 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1of9 h VAL 27 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.57 178.85 1of9 n LYS 28 N -5.25 0.08 0.04 4.17 2.85 -1.07 0.45 118.16 119.44 1of9 n LYS 28 Ca -0.08 0.54 -0.14 0.00 -1.05 0.00 0.00 58.31 57.57 1of9 n LYS 28 Cb 0.17 -1.74 -0.14 0.00 -0.65 0.00 0.00 35.03 32.67 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 0.26 0.77 -5.58 1.82 -0.85 -2.91 116.42 109.93 1of9 h ASP 29 Ca 0.00 -0.39 -0.18 0.00 -0.39 0.00 0.00 57.03 56.07 1of9 h ASP 29 Cb 0.05 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 1of9 h ASP 29 CO 0.00 1.33 -1.34 0.22 -1.61 0.00 0.00 179.24 177.84 1of9 h TYR 30 N 0.05 0.00 -0.12 0.28 5.03 0.78 -2.93 116.97 120.06 1of9 h TYR 30 Ca -0.23 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 60.87 1of9 h TYR 30 Cb 1.98 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.27 1of9 h TYR 30 CO 0.04 0.62 -0.77 0.82 -1.32 0.00 0.00 178.16 177.55 1of9 h ILE 31 N 0.00 1.32 -0.15 1.81 2.04 -0.13 -0.91 117.51 121.49 1of9 h ILE 31 Ca -0.16 -2.06 -0.22 0.00 1.00 0.00 0.00 64.86 63.43 1of9 h ILE 31 Cb 1.61 2.05 0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1of9 h ILE 31 CO 0.05 0.64 -0.78 0.28 0.00 0.00 0.00 178.15 178.34 1of9 h SER 32 N 0.43 0.91 -0.52 1.72 0.02 -1.63 0.41 113.55 114.89 1of9 h SER 32 Ca -0.05 -0.60 -0.09 0.00 -0.84 0.00 0.00 61.79 60.22 1of9 h SER 32 Cb 1.38 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1of9 h SER 32 CO 0.15 1.39 0.00 -1.28 -1.14 0.00 0.00 176.83 175.96 1of9 h SER 33 N 0.52 0.93 0.00 3.07 0.87 -1.51 1.60 113.55 119.03 1of9 h SER 33 Ca -0.05 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1of9 h SER 33 Cb 1.41 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1of9 h SER 33 CO 0.16 0.99 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.35 1of9 h LEU 34 N 0.88 0.02 -1.46 2.23 4.07 -1.13 -3.22 115.31 116.70 1of9 h LEU 34 Ca 0.16 -0.81 -0.05 0.00 0.08 0.00 0.00 57.88 57.26 1of9 h LEU 34 Cb 0.51 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1of9 h LEU 34 CO 0.03 0.83 -0.16 0.00 -1.08 0.00 0.00 178.44 178.05 1of9 h ASN 36 N 0.14 0.00 -0.53 0.00 -0.73 0.23 -1.07 115.58 113.63 1of9 h ASN 36 Ca 0.03 0.00 -0.42 0.00 1.87 0.00 0.00 56.30 57.77 1of9 h ASN 36 Cb 0.38 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 38.86 1of9 h ASN 36 CO 0.02 0.00 0.71 1.17 -0.37 0.00 0.00 177.43 178.96 1of9 n LYS 37 N -3.25 2.64 0.00 6.67 4.81 -0.49 -4.52 118.16 124.02 1of9 n LYS 37 Ca 0.07 -1.92 0.00 0.00 -0.87 0.00 0.00 58.31 55.59 1of9 n LYS 37 Cb 0.79 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1of9 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1of9 n ALA 38 N 1.93 0.00 -3.87 3.14 0.00 -0.41 -5.01 120.51 116.30 1of9 n ALA 38 Ca 0.52 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 1of9 n ALA 38 Cb 0.63 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.11 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 0.00 -4.79 0.00 0.00 7.64 -1.26 -4.75 113.62 110.46 1of9 n SER 39 Ca 0.00 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1of9 n SER 39 Cb 0.00 -2.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.75 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 -1.88 -0.80 0.12 0.23 0.00 -1.26 -4.89 105.19 96.70 1of9 n GLY 40 Ca -0.12 0.65 -0.17 0.00 0.00 0.00 0.00 46.02 46.38 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 0.59 -0.00 1.61 3.04 -2.00 -3.18 116.94 117.00 1of9 h PHE 41 Ca 0.00 -0.42 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1of9 h PHE 41 Cb 0.00 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1of9 h PHE 41 CO 0.00 1.32 -0.26 -0.89 -2.02 0.00 0.00 178.31 176.46 1of9 n ILE 42 N -3.58 0.00 -0.26 1.41 -0.00 -1.26 -4.24 119.36 111.43 1of9 n ILE 42 Ca -0.10 -0.02 -0.07 0.00 -0.00 0.00 0.00 62.75 62.57 1of9 n ILE 42 Cb 1.02 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.64 40.55 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 -1.35 -0.39 0.26 -1.39 0.00 -1.20 0.31 120.51 116.75 1of9 n ALA 43 Ca 0.08 0.52 0.12 0.00 0.00 0.00 0.00 53.44 54.17 1of9 n ALA 43 Cb 0.33 0.03 0.72 0.00 0.00 0.00 0.00 19.45 20.53 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 0.59 -0.44 0.00 1.03 -1.80 -1.71 112.91 110.59 1of9 h THR 44 Ca 0.10 -0.50 -0.14 0.00 -0.01 0.00 0.00 66.41 65.85 1of9 h THR 44 Cb 0.25 1.32 -0.01 0.00 -1.07 0.00 0.00 68.15 68.64 1of9 h THR 44 CO -0.58 0.11 -0.28 -0.07 -0.01 0.00 0.00 175.52 174.70 1of9 h LEU 45 N 0.00 1.00 0.49 0.00 3.38 0.47 -1.67 115.31 118.98 1of9 h LEU 45 Ca -0.00 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1of9 h LEU 45 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1of9 h LEU 45 CO 0.01 1.21 -0.24 0.00 0.09 0.00 0.00 178.44 179.52 1of9 h THR 47 N -1.02 0.22 0.39 0.00 2.02 -1.36 0.13 112.91 113.29 1of9 h THR 47 Ca -0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1of9 h THR 47 Cb 0.60 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1of9 h THR 47 CO 0.11 0.00 -0.19 0.11 0.37 0.00 0.00 175.52 175.92 1of9 h LYS 48 N 0.00 -0.51 -0.68 6.66 1.79 -0.93 0.29 116.57 123.20 1of9 h LYS 48 Ca 0.20 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.82 1of9 h LYS 48 Cb 1.36 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 32.04 1of9 h LYS 48 CO -0.00 -0.22 0.26 0.28 -1.08 0.00 0.00 179.45 178.69 1of9 h VAL 49 N -0.76 0.71 0.74 0.50 2.07 -0.61 0.40 116.25 119.30 1of9 h VAL 49 Ca -0.05 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1of9 h VAL 49 Cb 0.52 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1of9 h VAL 49 CO 0.09 0.08 -0.36 -0.07 0.02 0.00 0.00 177.57 177.33 1of9 h LEU 50 N 0.43 -0.84 -1.20 2.57 3.38 -1.31 1.52 115.31 119.86 1of9 h LEU 50 Ca 0.36 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.58 1of9 h LEU 50 Cb 0.49 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 1of9 h LEU 50 CO -0.36 -0.58 0.63 -0.78 0.09 0.00 0.00 178.44 177.44 1of9 h ASP 51 N -1.03 0.59 0.20 -0.43 1.82 0.38 -1.84 116.42 116.11 1of9 h ASP 51 Ca -0.10 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1of9 h ASP 51 Cb 0.77 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.78 1of9 h ASP 51 CO 0.17 0.15 -0.10 0.15 -1.61 0.00 0.00 179.24 178.00 1of9 h PHE 52 N 0.54 -0.25 0.00 0.28 3.57 0.36 -3.50 116.94 117.93 1of9 h PHE 52 Ca 0.59 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.09 1of9 h PHE 52 Cb 1.25 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.08 1of9 h PHE 52 CO -0.00 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 176.55 1of9 n GLY 53 N 0.80 2.61 0.36 2.40 0.00 0.51 -4.73 105.19 107.14 1of9 n GLY 53 Ca -0.06 -0.68 0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 0.39 -0.55 -0.61 5.03 -1.80 1.66 117.51 121.63 1of9 h ILE 54 Ca 0.00 -0.13 -0.06 0.00 -0.12 0.00 0.00 64.86 64.54 1of9 h ILE 54 Cb 0.00 -0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 33.73 1of9 h ILE 54 CO 0.00 0.07 0.10 0.44 -0.68 0.00 0.00 178.15 178.08 1of9 h ASP 55 N 0.39 0.83 0.66 1.72 5.19 -1.92 -2.83 116.42 120.46 1of9 h ASP 55 Ca 0.69 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.90 1of9 h ASP 55 Cb 1.60 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 40.90 1of9 h ASP 55 CO -0.49 0.84 -0.32 0.11 -3.12 0.00 0.00 179.24 176.25 1of9 h LYS 56 N 0.84 -0.85 -0.97 3.56 1.79 0.21 0.18 116.57 121.32 1of9 h LYS 56 Ca 0.18 0.06 0.31 0.00 -2.18 0.00 0.00 60.65 59.02 1of9 h LYS 56 Cb 0.36 0.19 -0.17 0.00 -1.58 0.00 0.00 32.23 31.04 1of9 h LYS 56 CO 0.01 -0.56 0.31 -0.07 -1.08 0.00 0.00 179.45 178.05 1of9 h LEU 57 N -0.91 0.02 -0.10 2.94 3.38 -1.07 1.00 115.31 120.57 1of9 h LEU 57 Ca -0.09 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1of9 h LEU 57 Cb 0.69 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1of9 h LEU 57 CO 0.15 -0.30 -0.06 0.40 0.09 0.00 0.00 178.44 178.72 1of9 h ILE 58 N 0.10 1.33 -0.97 1.22 2.04 -1.18 -2.74 117.51 117.31 1of9 h ILE 58 Ca 0.68 -1.13 0.21 0.00 1.00 0.00 0.00 64.86 65.62 1of9 h ILE 58 Cb 1.56 1.86 -0.11 0.00 -0.74 0.00 0.00 36.82 39.39 1of9 h ILE 58 CO -0.77 0.32 0.56 1.56 0.00 0.00 0.00 178.15 179.82 1of9 h GLN 59 N -0.15 0.63 0.94 2.37 4.20 0.39 0.18 115.11 123.67 1of9 h GLN 59 Ca 0.02 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1of9 h GLN 59 Cb 0.54 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1of9 h GLN 59 CO 0.02 0.41 -0.45 -0.07 -0.67 0.00 0.00 178.83 178.07 1of9 h LEU 60 N 0.64 -1.07 -0.69 1.46 3.38 -0.42 -2.56 115.31 116.06 1of9 h LEU 60 Ca 0.58 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.74 1of9 h LEU 60 Cb 0.99 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.91 1of9 h LEU 60 CO -0.43 -0.75 0.06 -0.29 0.09 0.00 0.00 178.44 177.12 1of9 h ILE 61 N -1.29 0.46 -1.08 1.22 2.10 -0.94 0.60 117.51 118.59 1of9 h ILE 61 Ca -0.13 -0.05 0.30 0.00 1.08 0.00 0.00 64.86 66.05 1of9 h ILE 61 Cb 0.97 0.29 -0.11 0.00 -1.09 0.00 0.00 36.82 36.88 1of9 h ILE 61 CO 0.21 0.03 0.68 -0.33 -1.08 0.00 0.00 178.15 177.66 1of9 h GLU 62 N 0.16 0.35 0.00 2.19 4.39 -0.44 -2.64 114.58 118.60 1of9 h GLU 62 Ca 0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1of9 h GLU 62 Cb 0.63 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1of9 h GLU 62 CO -0.55 0.23 0.00 -3.47 -1.16 0.00 0.00 179.01 174.06 1of9 n ASP 63 N -4.70 0.00 0.00 1.42 -0.08 0.20 -4.95 116.55 108.44 1of9 n ASP 63 Ca 0.28 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 54.11 1of9 n ASP 63 Cb 0.96 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1of9 n ASP 63 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1of9 n LYS 64 N -1.77 0.00 -3.46 -0.67 3.00 -0.55 -5.12 118.16 109.58 1of9 n LYS 64 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1of9 n LYS 64 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 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 5.25 1.00 3.15 1.01 -1.04 -4.97 120.40 124.80 1of9 s VAL 65 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1of9 s VAL 65 Cb 0.00 -3.92 0.20 0.00 0.00 0.00 0.00 36.38 32.66 1of9 s VAL 65 CO 0.00 -0.30 0.45 0.47 0.00 0.00 0.00 175.10 175.72 1of9 n ASP 66 N 5.18 -3.13 0.11 3.32 8.00 -1.26 -3.94 116.55 124.83 1of9 n ASP 66 Ca -0.11 -0.46 -0.20 0.00 0.71 0.00 0.00 54.79 54.74 1of9 n ASP 66 Cb 0.47 -0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.85 0.05 0.04 2.24 0.00 -1.96 -2.79 119.26 113.97 1of9 h ALA 67 Ca -0.20 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 1of9 h ALA 67 Cb 0.69 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1of9 h ALA 67 CO 0.12 0.80 -0.02 -0.97 0.00 0.00 0.00 179.25 179.18 1of9 h ASN 68 N 0.18 -0.04 -1.01 0.00 -0.73 -1.90 -1.41 115.58 110.66 1of9 h ASN 68 Ca -0.17 -0.65 0.24 0.00 1.87 0.00 0.00 56.30 57.59 1of9 h ASN 68 Cb 1.94 0.01 -0.10 0.00 0.27 0.00 0.00 38.32 40.45 1of9 h ASN 68 CO 0.23 0.68 0.64 0.00 -0.37 0.00 0.00 177.43 178.61 1of9 h ALA 69 N 0.04 2.09 -0.01 1.57 0.00 -1.91 0.70 119.26 121.74 1of9 h ALA 69 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1of9 h ALA 69 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1of9 h ALA 69 CO 0.01 -0.49 -0.02 0.82 0.00 0.00 0.00 179.25 179.57 1of9 h ILE 70 N 0.47 1.47 0.00 0.00 1.08 -1.49 -2.66 117.51 116.38 1of9 h ILE 70 Ca 0.58 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 1of9 h ILE 70 Cb 1.34 2.40 0.00 0.00 -3.07 0.00 0.00 36.82 37.49 1of9 h ILE 70 CO -0.32 0.37 0.00 0.00 -0.69 0.00 0.00 178.15 177.51 1of9 h ALA 72 N 2.00 0.12 0.06 0.00 0.00 0.61 1.04 119.26 123.09 1of9 h ALA 72 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1of9 h ALA 72 Cb 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1of9 h ALA 72 CO 0.00 0.22 -0.45 -0.22 0.00 0.00 0.00 179.25 178.80 1of9 h LYS 73 N -0.15 -0.59 -0.59 0.00 3.11 -0.79 0.44 116.57 118.00 1of9 h LYS 73 Ca -0.03 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1of9 h LYS 73 Cb 1.03 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1of9 h LYS 73 CO 0.08 -0.39 0.00 0.44 -2.81 0.00 0.00 179.45 176.76 1of9 n ILE 74 N -5.00 0.00 -3.69 2.00 -0.00 -1.18 -4.83 119.36 106.67 1of9 n ILE 74 Ca -0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.40 1of9 n ILE 74 Cb 0.34 -0.30 -0.06 0.00 -0.00 0.00 0.00 39.64 39.63 1of9 n ILE 74 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 1of9 n HIS 75 N -0.20 -0.84 1.42 4.28 8.25 0.15 -4.67 115.22 123.61 1of9 n HIS 75 Ca 0.00 0.47 0.05 0.00 -0.26 0.00 0.00 57.72 57.98 1of9 n HIS 75 Cb 0.15 -1.49 0.17 0.00 1.12 0.00 0.00 29.99 29.94 1of9 n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1of9 n ALA 76 N -3.15 2.49 0.00 -1.41 0.00 0.35 -3.61 120.51 115.17 1of9 n ALA 76 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1of9 n ALA 76 Cb 0.36 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50