#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 1.38 0.00 1.61 2.13 -1.26 -4.95 120.64 119.55 1of9 n GLU 2 Ca 0.00 -2.05 0.00 0.00 0.66 0.00 0.00 57.16 55.77 1of9 n GLU 2 Cb 0.00 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 31.43 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 -0.98 0.00 -2.43 6.31 2.08 -1.26 -4.41 119.36 118.66 1of9 n ILE 3 Ca -0.06 0.94 -0.19 0.00 0.56 0.00 0.00 62.75 63.99 1of9 n ILE 3 Cb 0.85 -1.90 0.02 0.00 -0.75 0.00 0.00 39.64 37.86 1of9 n ILE 3 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1of9 n LEU 4 N -0.47 3.72 0.13 1.39 4.32 -0.75 -4.87 117.00 120.47 1of9 n LEU 4 Ca 0.00 -4.50 -0.05 0.00 -0.02 0.00 0.00 56.01 51.44 1of9 n LEU 4 Cb 0.00 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 41.65 1of9 n LEU 4 CO 0.00 1.91 0.33 0.00 -1.22 0.00 0.00 177.39 178.41 1of9 h ASN 6 N -0.50 0.00 0.00 0.00 -0.73 -1.90 -1.30 115.58 111.15 1of9 h ASN 6 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1of9 h ASN 6 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1of9 h ASN 6 CO 0.06 0.00 0.00 -0.11 -0.37 0.00 0.00 177.43 177.01 1of9 n LEU 7 N -2.82 1.14 -0.01 0.34 -0.00 -1.07 -1.21 117.00 113.38 1of9 n LEU 7 Ca -0.02 0.32 -0.05 0.00 -0.00 0.00 0.00 56.01 56.26 1of9 n LEU 7 Cb 0.26 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.64 1of9 n LEU 7 CO 0.14 -0.01 0.50 0.00 -0.00 0.00 0.00 177.39 178.03 1of9 h THR 9 N -0.17 0.08 -0.04 0.00 1.03 -1.42 2.11 112.91 114.50 1of9 h THR 9 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 66.17 1of9 h THR 9 Cb 0.20 0.18 0.01 0.00 -1.07 0.00 0.00 68.15 67.47 1of9 h THR 9 CO -0.14 0.00 -0.95 1.23 -0.01 0.00 0.00 175.52 175.65 1of9 h GLY 10 N 0.00 0.71 1.38 2.99 0.00 0.18 -3.03 103.07 105.30 1of9 h GLY 10 Ca 0.36 -1.18 -0.30 0.00 0.00 0.00 0.00 47.33 46.22 1of9 h GLY 10 CO -0.00 1.04 -1.42 0.17 0.00 0.00 0.00 176.54 176.32 1of9 h LEU 11 N 0.38 0.47 -0.47 3.11 8.10 0.46 -3.32 115.31 124.03 1of9 h LEU 11 Ca -0.10 -0.57 0.09 0.00 0.11 0.00 0.00 57.88 57.42 1of9 h LEU 11 Cb 1.59 -0.15 -0.09 0.00 -0.44 0.00 0.00 40.66 41.57 1of9 h LEU 11 CO 0.18 1.46 -0.12 0.40 -4.11 0.00 0.00 178.44 176.25 1of9 h ILE 12 N 0.08 0.52 -0.88 0.15 1.08 -0.09 0.55 117.51 118.92 1of9 h ILE 12 Ca -0.21 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.44 1of9 h ILE 12 Cb 2.02 0.52 -0.07 0.00 -3.07 0.00 0.00 36.82 36.23 1of9 h ILE 12 CO 0.19 0.00 0.58 0.78 -0.69 0.00 0.00 178.15 179.01 1of9 h ASN 13 N -0.00 0.48 0.57 1.72 2.35 -1.63 0.72 115.58 119.79 1of9 h ASN 13 Ca 0.23 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1of9 h ASN 13 Cb 0.35 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1of9 h ASN 13 CO -0.49 0.21 -0.45 0.74 -1.65 0.00 0.00 177.43 175.80 1of9 h THR 14 N 0.50 1.21 0.00 2.81 2.02 -0.07 -2.22 112.91 117.15 1of9 h THR 14 Ca 0.46 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 1of9 h THR 14 Cb 1.00 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1of9 h THR 14 CO -0.19 0.44 -0.09 -0.07 0.37 0.00 0.00 175.52 175.98 1of9 h LEU 15 N 0.00 0.00 -0.74 2.58 3.38 0.21 2.39 115.31 123.13 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 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1of9 h LEU 15 CO 0.06 0.09 -0.28 -0.33 0.09 0.00 0.00 178.44 178.07 1of9 h GLU 16 N 0.00 0.00 -0.00 1.13 5.08 -0.97 -3.16 114.58 116.66 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 0.28 -0.14 -1.71 -1.00 0.00 0.00 179.01 176.45 1of9 n ASN 17 N -3.32 0.43 0.00 1.42 2.85 -0.55 -4.74 115.26 111.34 1of9 n ASN 17 Ca 0.01 -0.71 0.00 0.00 -0.11 0.00 0.00 54.58 53.77 1of9 n ASN 17 Cb 0.52 0.79 0.00 0.00 1.24 0.00 0.00 39.78 42.33 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 -0.81 0.00 -0.00 1.20 7.94 0.80 -4.82 117.00 121.30 1of9 n LEU 18 Ca 0.01 0.08 -0.04 0.00 -1.11 0.00 0.00 56.01 54.95 1of9 n LEU 18 Cb 0.07 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.00 1of9 n LEU 18 CO 0.07 0.00 -0.35 0.18 -1.11 0.00 0.00 177.39 176.18 1of9 n LEU 19 N -0.11 1.18 -3.19 -1.96 4.32 -1.26 -4.97 117.00 111.02 1of9 n LEU 19 Ca 0.00 0.18 -0.24 0.00 -0.02 0.00 0.00 56.01 55.93 1of9 n LEU 19 Cb 0.00 -0.41 -0.04 0.00 -1.62 0.00 0.00 43.42 41.35 1of9 n LEU 19 CO 0.00 -0.42 -0.09 1.07 -1.22 0.00 0.00 177.39 176.73 1of9 n THR 20 N -3.69 0.00 0.00 -5.08 5.66 -1.26 -3.46 114.28 106.44 1of9 n THR 20 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1of9 n THR 20 Cb 0.27 -0.28 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 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 -2.51 0.00 0.35 1.09 5.66 -1.26 -5.00 114.28 112.60 1of9 n THR 21 Ca 0.07 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.93 1of9 n THR 21 Cb 0.26 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.98 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 -0.86 0.00 1.09 1.57 -1.94 -3.47 116.57 112.96 1of9 h LYS 22 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1of9 h LYS 22 Cb 0.00 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1of9 h LYS 22 CO 0.00 -0.57 0.00 0.41 -0.57 0.00 0.00 179.45 178.72 1of9 n GLY 23 N -1.24 0.01 0.46 3.86 0.00 -1.26 -4.99 105.19 102.04 1of9 n GLY 23 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.24 0.00 -0.03 4.61 0.00 -1.26 -4.98 120.51 118.61 1of9 n ALA 24 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1of9 n ALA 24 Cb 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 1of9 n ALA 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1of9 n ASP 25 N 0.46 2.05 0.17 0.00 9.92 -1.26 -3.84 116.55 124.06 1of9 n ASP 25 Ca 0.00 0.26 0.12 0.00 -0.53 0.00 0.00 54.79 54.64 1of9 n ASP 25 Cb 0.02 -0.88 0.60 0.00 -0.64 0.00 0.00 41.12 40.22 1of9 n ASP 25 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1of9 h LYS 26 N -0.22 0.00 0.20 -1.24 1.63 -1.98 -2.32 116.57 112.63 1of9 h LYS 26 Ca -0.41 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.38 1of9 h LYS 26 Cb 1.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1of9 h LYS 26 CO -0.00 0.00 -0.10 -0.24 -3.45 0.00 0.00 179.45 175.66 1of9 h VAL 27 N 0.00 0.88 0.00 2.00 3.04 -1.98 0.45 116.25 120.64 1of9 h VAL 27 Ca 0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1of9 h VAL 27 Cb 0.16 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1of9 h VAL 27 CO 0.00 0.12 0.00 2.29 -1.01 0.00 0.00 177.57 178.97 1of9 n LYS 28 N -5.09 0.17 0.10 4.17 -0.00 -0.89 0.87 118.16 117.48 1of9 n LYS 28 Ca -0.09 0.45 -0.19 0.00 -0.00 0.00 0.00 58.31 58.48 1of9 n LYS 28 Cb 0.22 -1.85 -0.15 0.00 -0.00 0.00 0.00 35.03 33.25 1of9 n LYS 28 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1of9 h ASP 29 N 0.00 0.52 0.73 -5.58 3.58 -1.19 -2.81 116.42 111.67 1of9 h ASP 29 Ca 0.00 -0.63 -0.12 0.00 0.42 0.00 0.00 57.03 56.70 1of9 h ASP 29 Cb 0.28 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1of9 h ASP 29 CO 0.00 1.51 -1.35 0.00 -2.88 0.00 0.00 179.24 176.51 1of9 n TYR 30 N -3.55 0.92 0.08 0.28 4.19 0.09 -3.12 117.16 116.05 1of9 n TYR 30 Ca -0.15 0.30 -0.08 0.00 3.31 0.00 0.00 57.90 61.28 1of9 n TYR 30 Cb 1.05 -1.03 0.05 0.00 0.49 0.00 0.00 39.34 39.90 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 1.43 -0.01 2.97 2.04 0.37 -1.90 117.51 122.40 1of9 h ILE 31 Ca -0.12 -2.27 -0.03 0.00 1.00 0.00 0.00 64.86 63.44 1of9 h ILE 31 Cb 1.42 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1of9 h ILE 31 CO 0.03 0.67 -0.11 0.28 0.00 0.00 0.00 178.15 179.02 1of9 h SER 32 N 0.17 0.12 -0.38 1.72 0.02 -1.62 0.45 113.55 114.05 1of9 h SER 32 Ca -0.03 -0.71 0.04 0.00 -0.84 0.00 0.00 61.79 60.25 1of9 h SER 32 Cb 1.31 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 1of9 h SER 32 CO 0.12 0.81 0.25 0.28 -1.14 0.00 0.00 176.83 177.15 1of9 h SER 33 N -0.56 0.32 0.02 3.07 0.02 -1.58 1.68 113.55 116.51 1of9 h SER 33 Ca -0.01 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1of9 h SER 33 Cb 0.82 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1of9 h SER 33 CO 0.02 0.22 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.62 1of9 h LEU 34 N 0.37 0.06 0.00 5.07 3.38 -1.33 -3.19 115.31 119.67 1of9 h LEU 34 Ca 0.16 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1of9 h LEU 34 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1of9 h LEU 34 CO -0.04 1.10 0.00 0.00 0.09 0.00 0.00 178.44 179.60 1of9 n ASN 36 N -1.30 4.26 -1.71 0.00 5.15 0.57 -2.63 115.26 119.60 1of9 n ASN 36 Ca 0.07 -2.22 -0.01 0.00 -0.60 0.00 0.00 54.58 51.83 1of9 n ASN 36 Cb 0.13 -1.00 0.03 0.00 -0.53 0.00 0.00 39.78 38.41 1of9 n ASN 36 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1of9 n LYS 37 N 3.40 0.33 0.00 1.20 4.81 -1.25 -5.00 118.16 121.65 1of9 n LYS 37 Ca 0.37 -0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1of9 n LYS 37 Cb 0.35 0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.55 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 -0.38 0.24 -4.43 3.14 0.00 -1.08 -4.94 120.51 113.07 1of9 n ALA 38 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1of9 n ALA 38 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.43 0.00 0.00 2.88 -1.26 -4.77 113.62 110.04 1of9 n SER 39 Ca 0.00 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1of9 n SER 39 Cb 0.00 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.84 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 -1.84 4.17 0.33 0.46 0.00 -1.26 -4.88 105.19 102.17 1of9 n GLY 40 Ca -0.11 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 0.03 0.00 1.61 3.04 -2.01 0.57 116.94 120.18 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 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1of9 h PHE 41 CO 0.00 0.02 -0.39 -0.89 -2.02 0.00 0.00 178.31 175.02 1of9 n ILE 42 N -4.45 0.13 -0.36 1.41 -0.00 -1.26 -4.21 119.36 110.63 1of9 n ILE 42 Ca 0.04 -0.09 -0.08 0.00 -0.00 0.00 0.00 62.75 62.62 1of9 n ILE 42 Cb 0.37 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.64 39.88 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 -1.61 -0.46 0.23 -1.39 0.00 0.20 0.33 120.51 117.81 1of9 n ALA 43 Ca 0.05 0.76 0.09 0.00 0.00 0.00 0.00 53.44 54.34 1of9 n ALA 43 Cb 0.37 -0.17 0.57 0.00 0.00 0.00 0.00 19.45 20.21 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 0.74 -0.44 0.00 2.02 -1.73 -1.63 112.91 111.87 1of9 h THR 44 Ca 0.17 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 1of9 h THR 44 Cb 0.39 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1of9 h THR 44 CO -0.82 0.21 -0.21 -0.07 0.37 0.00 0.00 175.52 174.99 1of9 h LEU 45 N 0.00 0.90 0.43 2.58 3.38 0.53 0.42 115.31 123.55 1of9 h LEU 45 Ca -0.00 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1of9 h LEU 45 Cb 0.52 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1of9 h LEU 45 CO 0.03 1.08 -0.21 0.00 0.09 0.00 0.00 178.44 179.43 1of9 h THR 47 N -1.06 0.00 0.67 0.00 2.02 -1.35 -0.95 112.91 112.23 1of9 h THR 47 Ca -0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1of9 h THR 47 Cb 0.44 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1of9 h THR 47 CO 0.10 0.00 -0.32 0.11 0.37 0.00 0.00 175.52 175.78 1of9 h LYS 48 N 0.00 -0.86 -0.91 6.66 1.79 -0.74 0.29 116.57 122.80 1of9 h LYS 48 Ca 0.00 0.06 0.18 0.00 -2.18 0.00 0.00 60.65 58.71 1of9 h LYS 48 Cb 0.62 0.20 -0.10 0.00 -1.58 0.00 0.00 32.23 31.36 1of9 h LYS 48 CO 0.00 -0.56 0.48 0.28 -1.08 0.00 0.00 179.45 178.57 1of9 h VAL 49 N -1.19 0.67 0.79 0.50 2.07 -1.09 0.21 116.25 118.21 1of9 h VAL 49 Ca -0.09 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1of9 h VAL 49 Cb 0.71 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1of9 h VAL 49 CO 0.15 0.11 -0.38 -0.07 0.02 0.00 0.00 177.57 177.40 1of9 h LEU 50 N 0.62 -0.89 -1.24 2.57 3.38 -1.38 2.24 115.31 120.59 1of9 h LEU 50 Ca 0.52 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.80 1of9 h LEU 50 Cb 0.82 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 1of9 h LEU 50 CO -0.40 -0.57 0.66 -0.78 0.09 0.00 0.00 178.44 177.44 1of9 h ASP 51 N -1.18 0.48 0.02 -0.43 3.58 0.68 -1.10 116.42 118.48 1of9 h ASP 51 Ca -0.11 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1of9 h ASP 51 Cb 0.82 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1of9 h ASP 51 CO 0.18 0.03 -0.01 0.15 -2.88 0.00 0.00 179.24 176.70 1of9 h PHE 52 N 0.39 -0.03 0.00 0.28 3.57 -0.19 -3.51 116.94 117.45 1of9 h PHE 52 Ca 0.65 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.15 1of9 h PHE 52 Cb 1.60 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1of9 h PHE 52 CO -0.00 0.57 0.00 0.41 -2.23 0.00 0.00 178.31 177.06 1of9 n GLY 53 N 1.49 2.22 0.39 2.40 0.00 0.75 -4.68 105.19 107.76 1of9 n GLY 53 Ca -0.07 -0.84 0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.46 -0.61 5.03 -1.81 1.95 117.51 121.98 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 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 33.78 1of9 h ILE 54 CO 0.00 0.06 0.10 0.44 -0.68 0.00 0.00 178.15 178.07 1of9 h ASP 55 N 0.33 0.65 0.73 1.72 5.19 -1.91 -1.60 116.42 121.54 1of9 h ASP 55 Ca 0.69 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.95 1of9 h ASP 55 Cb 1.76 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 41.11 1of9 h ASP 55 CO -0.43 0.65 -0.35 0.11 -3.12 0.00 0.00 179.24 176.10 1of9 h LYS 56 N 0.68 -0.95 -0.96 3.56 1.57 0.28 0.37 116.57 121.12 1of9 h LYS 56 Ca 0.15 0.06 0.17 0.00 -1.87 0.00 0.00 60.65 59.17 1of9 h LYS 56 Cb 0.27 0.22 -0.10 0.00 0.08 0.00 0.00 32.23 32.70 1of9 h LYS 56 CO -0.00 -0.63 0.56 -0.07 -0.57 0.00 0.00 179.45 178.74 1of9 h LEU 57 N -1.00 0.71 -0.70 2.94 3.38 -1.19 0.31 115.31 119.77 1of9 h LEU 57 Ca -0.10 0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1of9 h LEU 57 Cb 0.76 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1of9 h LEU 57 CO 0.17 0.27 0.46 0.40 0.09 0.00 0.00 178.44 179.83 1of9 h ILE 58 N 0.73 1.18 -0.01 1.22 2.04 -0.80 0.43 117.51 122.31 1of9 h ILE 58 Ca 0.54 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1of9 h ILE 58 Cb 0.81 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1of9 h ILE 58 CO -0.37 0.18 0.06 -0.61 0.00 0.00 0.00 178.15 177.40 1of9 h GLN 59 N 0.95 0.00 0.14 2.37 -0.00 0.18 -2.37 115.11 116.38 1of9 h GLN 59 Ca 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.90 1of9 h GLN 59 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.37 1of9 h GLN 59 CO -0.06 0.00 -0.07 -0.07 0.00 0.00 0.00 178.83 178.64 1of9 h LEU 60 N 0.00 -0.16 -1.68 -2.39 3.38 -0.38 -3.24 115.31 110.84 1of9 h LEU 60 Ca 0.00 -0.01 0.51 0.00 0.09 0.00 0.00 57.88 58.47 1of9 h LEU 60 Cb 0.13 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 1of9 h LEU 60 CO -0.00 0.32 1.18 0.00 0.09 0.00 0.00 178.44 180.04 1of9 n ILE 61 N -4.90 -0.06 -0.05 1.22 0.13 -0.91 0.19 119.36 114.98 1of9 n ILE 61 Ca -0.03 1.46 -0.08 0.00 -1.10 0.00 0.00 62.75 63.01 1of9 n ILE 61 Cb 0.08 -2.42 -0.02 0.00 -0.84 0.00 0.00 39.64 36.45 1of9 n ILE 61 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1of9 h GLU 62 N 0.00 -0.09 0.42 9.51 4.39 -1.54 -3.13 114.58 124.14 1of9 h GLU 62 Ca 0.86 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.54 1of9 h GLU 62 Cb 3.27 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 31.94 1of9 h GLU 62 CO -0.13 -0.06 -0.20 0.38 -1.16 0.00 0.00 179.01 177.85 1of9 h ASP 63 N -0.09 -0.48 0.00 1.42 2.03 0.20 -3.48 116.42 116.03 1of9 h ASP 63 Ca 0.12 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1of9 h ASP 63 Cb 0.27 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1of9 h ASP 63 CO -0.28 -0.13 0.00 0.29 -1.03 0.00 0.00 179.24 178.08 1of9 n LYS 64 N -4.66 0.00 -3.65 4.15 5.02 -0.89 -5.14 118.16 112.99 1of9 n LYS 64 Ca -0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.93 1of9 n LYS 64 Cb 0.22 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.08 1of9 n LYS 64 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1of9 s VAL 65 N 0.00 0.39 0.97 -0.18 1.01 -1.25 -4.93 120.40 116.40 1of9 s VAL 65 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1of9 s VAL 65 Cb 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 36.38 35.29 1of9 s VAL 65 CO 0.00 -0.59 0.14 0.47 0.00 0.00 0.00 175.10 175.12 1of9 n ASP 66 N 5.07 -2.85 -0.06 3.32 8.00 -1.26 -4.32 116.55 124.45 1of9 n ASP 66 Ca -0.05 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.01 1of9 n ASP 66 Cb 0.43 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.46 0.23 0.64 2.24 0.00 -1.93 -2.09 119.26 115.90 1of9 h ALA 67 Ca -0.26 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1of9 h ALA 67 Cb 0.80 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1of9 h ALA 67 CO 0.17 0.17 -0.31 -0.97 0.00 0.00 0.00 179.25 178.30 1of9 h ASN 68 N 0.03 -0.73 -1.13 0.00 -0.73 -1.90 -0.59 115.58 110.53 1of9 h ASN 68 Ca 0.02 -0.01 0.31 0.00 1.87 0.00 0.00 56.30 58.49 1of9 h ASN 68 Cb 0.76 0.19 -0.07 0.00 0.27 0.00 0.00 38.32 39.46 1of9 h ASN 68 CO 0.05 -0.45 0.77 0.00 -0.37 0.00 0.00 177.43 177.43 1of9 h ALA 69 N -0.71 2.68 -0.06 1.57 0.00 -1.90 2.01 119.26 122.85 1of9 h ALA 69 Ca -0.09 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1of9 h ALA 69 Cb 0.70 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1of9 h ALA 69 CO 0.15 -1.07 -0.63 0.82 0.00 0.00 0.00 179.25 178.51 1of9 h ILE 70 N 0.19 1.40 -0.00 0.00 1.08 -0.77 -2.10 117.51 117.30 1of9 h ILE 70 Ca 0.59 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.02 1of9 h ILE 70 Cb 1.93 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 37.73 1of9 h ILE 70 CO -0.17 0.60 -0.07 0.00 -0.69 0.00 0.00 178.15 177.83 1of9 h ALA 72 N 3.82 0.09 0.30 0.00 0.00 0.53 0.65 119.26 124.65 1of9 h ALA 72 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1of9 h ALA 72 Cb 0.31 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1of9 h ALA 72 CO 0.00 0.61 -0.41 -0.22 0.00 0.00 0.00 179.25 179.23 1of9 h LYS 73 N -0.45 -0.74 0.00 0.00 3.64 -1.55 0.17 116.57 117.65 1of9 h LYS 73 Ca -0.23 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1of9 h LYS 73 Cb 1.62 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1of9 h LYS 73 CO 0.06 -0.49 0.00 0.44 -2.27 0.00 0.00 179.45 177.19 1of9 n ILE 74 N -5.49 0.00 -4.23 2.00 -0.00 -1.25 -4.85 119.36 105.54 1of9 n ILE 74 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.32 1of9 n ILE 74 Cb 0.39 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.64 39.88 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 -0.55 -1.12 -0.02 4.28 -0.00 0.61 -4.73 115.22 113.69 1of9 n HIS 75 Ca 0.02 0.59 -0.08 0.00 -0.00 0.00 0.00 57.72 58.26 1of9 n HIS 75 Cb 0.01 -2.20 0.11 0.00 -0.00 0.00 0.00 29.99 27.91 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 -4.07 3.80 0.47 1.57 0.00 0.22 -4.85 120.51 117.65 1of9 n ALA 76 Ca -0.12 -1.27 0.04 0.00 0.00 0.00 0.00 53.44 52.08 1of9 n ALA 76 Cb 0.54 -1.18 0.23 0.00 0.00 0.00 0.00 19.45 19.04 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50