#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 -3.38 -0.28 1.61 1.02 -1.26 -4.83 120.64 113.52 1of9 n GLU 2 Ca 0.00 2.71 0.07 0.00 -0.02 0.00 0.00 57.16 59.93 1of9 n GLU 2 Cb 0.00 -5.23 0.18 0.00 -0.02 0.00 0.00 31.44 26.38 1of9 n GLU 2 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1of9 h ILE 3 N 2.93 0.26 0.00 -3.67 2.04 -1.99 -3.36 117.51 113.72 1of9 h ILE 3 Ca 0.00 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1of9 h ILE 3 Cb 0.00 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.19 1of9 h ILE 3 CO 0.10 0.01 -0.13 -0.11 0.00 0.00 0.00 178.15 178.03 1of9 n LEU 4 N -5.39 -0.51 0.12 1.44 7.94 -1.26 -5.00 117.00 114.34 1of9 n LEU 4 Ca 0.16 -1.24 -0.06 0.00 -1.11 0.00 0.00 56.01 53.76 1of9 n LEU 4 Cb 0.53 0.19 -0.03 0.00 0.53 0.00 0.00 43.42 44.65 1of9 n LEU 4 CO 0.01 1.07 0.17 0.00 -1.11 0.00 0.00 177.39 177.53 1of9 h ASN 6 N -0.93 0.00 -0.13 0.00 2.35 -1.93 0.41 115.58 115.36 1of9 h ASN 6 Ca -0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1of9 h ASN 6 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1of9 h ASN 6 CO 0.06 0.00 -0.15 0.25 -1.65 0.00 0.00 177.43 175.94 1of9 h LEU 7 N 0.00 0.35 0.00 1.61 7.12 -1.90 -1.72 115.31 120.77 1of9 h LEU 7 Ca 0.03 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1of9 h LEU 7 Cb 0.72 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1of9 h LEU 7 CO -0.00 0.78 0.00 0.00 -0.13 0.00 0.00 178.44 179.09 1of9 n THR 9 N -1.19 0.00 0.05 0.00 -2.24 0.51 0.31 114.28 111.73 1of9 n THR 9 Ca 0.00 1.30 -0.20 0.00 -2.27 0.00 0.00 64.05 62.88 1of9 n THR 9 Cb 0.00 -2.24 -0.13 0.00 -2.10 0.00 0.00 70.33 65.87 1of9 n THR 9 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1of9 h GLY 10 N 0.00 0.56 1.77 3.38 0.00 -1.39 -2.99 103.07 104.40 1of9 h GLY 10 Ca 0.70 -1.14 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1of9 h GLY 10 CO -0.01 1.01 -0.66 0.17 0.00 0.00 0.00 176.54 177.05 1of9 h LEU 11 N 0.03 0.27 0.20 3.11 8.10 0.52 -2.83 115.31 124.72 1of9 h LEU 11 Ca -0.14 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1of9 h LEU 11 Cb 1.66 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.79 1of9 h LEU 11 CO 0.18 0.86 -0.20 0.40 -4.11 0.00 0.00 178.44 175.57 1of9 h ILE 12 N 0.17 0.56 -0.95 0.15 1.08 -0.19 0.46 117.51 118.79 1of9 h ILE 12 Ca -0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.55 1of9 h ILE 12 Cb 1.19 0.56 -0.07 0.00 -3.07 0.00 0.00 36.82 35.43 1of9 h ILE 12 CO 0.10 0.00 0.59 0.78 -0.69 0.00 0.00 178.15 178.94 1of9 h ASN 13 N -0.43 0.90 1.00 1.72 4.21 -1.51 0.47 115.58 121.94 1of9 h ASN 13 Ca 0.00 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1of9 h ASN 13 Cb 0.41 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1of9 h ASN 13 CO -0.05 0.53 0.00 0.00 -1.29 0.00 0.00 177.43 176.62 1of9 h THR 14 N 1.01 0.00 0.00 2.81 1.03 -1.08 -1.98 112.91 114.70 1of9 h THR 14 Ca 0.44 -0.43 -0.03 0.00 -0.01 0.00 0.00 66.41 66.38 1of9 h THR 14 Cb 0.32 1.34 -0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1of9 h THR 14 CO -0.22 0.00 -0.14 -0.07 -0.01 0.00 0.00 175.52 175.08 1of9 h LEU 15 N 0.00 0.00 -1.53 0.00 4.07 0.47 0.30 115.31 118.62 1of9 h LEU 15 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1of9 h LEU 15 Cb 0.50 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1of9 h LEU 15 CO 0.00 0.13 -0.23 -0.33 -1.08 0.00 0.00 178.44 176.92 1of9 h GLU 16 N 0.00 0.00 0.00 1.13 5.08 -0.58 -2.98 114.58 117.23 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 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1of9 h GLU 16 CO 0.02 0.23 -1.14 -1.71 -1.00 0.00 0.00 179.01 175.41 1of9 n ASN 17 N -3.84 2.58 0.00 1.42 2.85 -1.18 -4.22 115.26 112.87 1of9 n ASN 17 Ca -0.02 -0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1of9 n ASN 17 Cb 0.33 1.28 0.00 0.00 1.24 0.00 0.00 39.78 42.63 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 -1.64 0.00 -0.08 1.20 7.94 0.11 -4.04 117.00 120.49 1of9 n LEU 18 Ca -0.01 0.50 -0.10 0.00 -1.11 0.00 0.00 56.01 55.30 1of9 n LEU 18 Cb 0.19 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 43.96 1of9 n LEU 18 CO 0.16 -0.10 -0.99 0.18 -1.11 0.00 0.00 177.39 175.54 1of9 n LEU 19 N -1.35 2.07 -3.99 -1.96 4.32 -1.26 -5.03 117.00 109.79 1of9 n LEU 19 Ca 0.00 -0.06 -0.41 0.00 -0.02 0.00 0.00 56.01 55.52 1of9 n LEU 19 Cb 0.00 -0.30 0.02 0.00 -1.62 0.00 0.00 43.42 41.52 1of9 n LEU 19 CO 0.00 0.63 -0.18 1.07 -1.22 0.00 0.00 177.39 177.69 1of9 n THR 20 N -2.82 -2.98 -0.76 -5.08 5.66 -1.26 -4.38 114.28 102.67 1of9 n THR 20 Ca -0.26 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1of9 n THR 20 Cb 0.84 -2.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.09 1of9 n THR 20 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1of9 n THR 21 N -4.40 -1.67 0.00 1.09 -1.04 -1.26 -5.03 114.28 101.97 1of9 n THR 21 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1of9 n THR 21 Cb 0.60 -2.35 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1of9 n THR 21 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1of9 n LYS 22 N 0.49 0.00 -3.06 -2.82 5.02 -1.26 -5.06 118.16 111.48 1of9 n LYS 22 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1of9 n LYS 22 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1of9 n LYS 22 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1of9 s GLY 23 N 0.00 -1.16 0.00 0.72 0.00 -1.26 -4.99 107.32 100.63 1of9 s GLY 23 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.33 1of9 s GLY 23 CO 0.00 4.07 0.55 0.00 0.00 0.00 0.00 173.10 177.73 1of9 n ALA 24 N 4.73 2.14 -0.04 3.20 0.00 -1.26 -2.27 120.51 127.01 1of9 n ALA 24 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1of9 n ALA 24 Cb 0.59 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.22 0.78 0.08 0.00 8.00 -1.26 -3.83 116.55 120.10 1of9 n ASP 25 Ca 0.00 0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.91 1of9 n ASP 25 Cb 0.08 0.13 0.46 0.00 -0.02 0.00 0.00 41.12 41.76 1of9 n ASP 25 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1of9 n LYS 26 N -3.01 0.18 0.05 -1.24 3.00 -0.96 -3.31 118.16 112.87 1of9 n LYS 26 Ca -0.22 0.22 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1of9 n LYS 26 Cb 1.08 -1.74 -0.09 0.00 0.00 0.00 0.00 35.03 34.28 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 1.07 0.00 3.15 3.04 -1.70 -2.52 116.25 119.29 1of9 h VAL 27 Ca 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1of9 h VAL 27 Cb 0.57 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1of9 h VAL 27 CO 0.00 0.23 0.00 0.07 -1.01 0.00 0.00 177.57 176.86 1of9 h LYS 28 N -0.64 0.00 0.03 4.17 2.10 -1.71 0.35 116.57 120.87 1of9 h LYS 28 Ca -0.02 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.42 1of9 h LYS 28 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1of9 h LYS 28 CO 0.03 0.00 -0.96 0.22 -2.00 0.00 0.00 179.45 176.74 1of9 h ASP 29 N 0.00 0.25 0.46 7.07 1.82 -1.49 -2.65 116.42 121.88 1of9 h ASP 29 Ca 0.00 -0.23 -0.30 0.00 -0.39 0.00 0.00 57.03 56.12 1of9 h ASP 29 Cb 0.08 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 1of9 h ASP 29 CO 0.00 1.07 -1.70 0.22 -1.61 0.00 0.00 179.24 177.22 1of9 h TYR 30 N 0.09 0.10 0.00 0.28 5.03 -0.36 -3.21 116.97 118.90 1of9 h TYR 30 Ca -0.06 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.12 1of9 h TYR 30 Cb 1.63 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.89 1of9 h TYR 30 CO 0.03 1.14 -0.29 0.82 -1.32 0.00 0.00 178.16 178.53 1of9 h ILE 31 N 0.01 1.02 0.07 1.81 2.04 -0.51 -0.98 117.51 120.99 1of9 h ILE 31 Ca -0.29 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 1of9 h ILE 31 Cb 2.00 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1of9 h ILE 31 CO 0.09 0.29 -0.03 0.28 0.00 0.00 0.00 178.15 178.77 1of9 h SER 32 N 0.00 -0.08 -0.29 1.72 0.02 -1.58 0.33 113.55 113.67 1of9 h SER 32 Ca -0.00 -0.54 0.06 0.00 -0.84 0.00 0.00 61.79 60.46 1of9 h SER 32 Cb 0.59 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1of9 h SER 32 CO 0.04 0.57 0.20 0.28 -1.14 0.00 0.00 176.83 176.78 1of9 h SER 33 N -0.82 0.12 0.00 3.07 0.02 -1.53 1.66 113.55 116.08 1of9 h SER 33 Ca -0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1of9 h SER 33 Cb 0.61 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1of9 h SER 33 CO 0.02 0.08 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.72 1of9 h LEU 34 N 0.14 -0.00 0.00 5.07 4.07 -1.18 -3.17 115.31 120.24 1of9 h LEU 34 Ca 0.13 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.16 1of9 h LEU 34 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1of9 h LEU 34 CO -0.02 0.95 0.00 0.00 -1.08 0.00 0.00 178.44 178.30 1of9 n ASN 36 N -1.33 4.95 -1.98 0.00 5.15 0.56 -2.90 115.26 119.71 1of9 n ASN 36 Ca 0.07 -2.30 -0.01 0.00 -0.60 0.00 0.00 54.58 51.75 1of9 n ASN 36 Cb 0.14 -1.12 0.05 0.00 -0.53 0.00 0.00 39.78 38.32 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 3.34 0.53 0.00 1.20 4.81 -1.25 -4.99 118.16 121.80 1of9 n LYS 37 Ca 0.43 -0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1of9 n LYS 37 Cb 0.40 0.16 0.00 0.00 0.02 0.00 0.00 35.03 35.61 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 -0.60 0.45 -4.30 3.14 0.00 -1.14 -4.94 120.51 113.11 1of9 n ALA 38 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1of9 n ALA 38 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.76 0.00 0.00 2.88 -1.26 -4.73 113.62 109.75 1of9 n SER 39 Ca 0.00 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1of9 n SER 39 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 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 -1.56 3.95 0.32 0.46 0.00 -1.26 -4.87 105.19 102.22 1of9 n GLY 40 Ca -0.04 -0.24 0.13 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 0.11 0.00 1.61 3.04 -2.00 0.50 116.94 120.20 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 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1of9 h PHE 41 CO 0.00 0.06 -0.39 -0.89 -2.02 0.00 0.00 178.31 175.07 1of9 n ILE 42 N -4.46 0.04 -0.35 1.41 -0.00 -1.26 -4.25 119.36 110.49 1of9 n ILE 42 Ca 0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 62.75 62.67 1of9 n ILE 42 Cb 0.33 0.04 -0.08 0.00 -0.00 0.00 0.00 39.64 39.92 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 -1.53 -0.53 0.26 -1.39 0.00 0.18 0.32 120.51 117.82 1of9 n ALA 43 Ca 0.06 0.70 0.12 0.00 0.00 0.00 0.00 53.44 54.32 1of9 n ALA 43 Cb 0.35 -0.09 0.68 0.00 0.00 0.00 0.00 19.45 20.39 1of9 n ALA 43 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1of9 h THR 44 N 0.00 0.58 -0.38 0.00 1.35 -1.74 -1.65 112.91 111.08 1of9 h THR 44 Ca 0.13 -0.62 -0.15 0.00 -0.55 0.00 0.00 66.41 65.23 1of9 h THR 44 Cb 0.34 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1of9 h THR 44 CO -0.77 0.13 -0.35 -0.07 -0.25 0.00 0.00 175.52 174.21 1of9 h LEU 45 N 0.00 0.91 0.46 3.87 3.38 0.51 -0.61 115.31 123.83 1of9 h LEU 45 Ca -0.00 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1of9 h LEU 45 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1of9 h LEU 45 CO 0.02 1.16 -0.22 0.00 0.09 0.00 0.00 178.44 179.49 1of9 h THR 47 N -1.02 0.05 0.62 0.00 1.03 -1.38 -0.22 112.91 111.99 1of9 h THR 47 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.31 1of9 h THR 47 Cb 0.47 0.59 0.01 0.00 -1.07 0.00 0.00 68.15 68.15 1of9 h THR 47 CO 0.10 0.00 -0.30 0.11 -0.01 0.00 0.00 175.52 175.43 1of9 h LYS 48 N 0.00 -0.80 -1.00 0.00 1.79 -0.90 0.22 116.57 115.88 1of9 h LYS 48 Ca 0.04 0.05 0.21 0.00 -2.18 0.00 0.00 60.65 58.77 1of9 h LYS 48 Cb 0.89 0.18 -0.11 0.00 -1.58 0.00 0.00 32.23 31.61 1of9 h LYS 48 CO -0.00 -0.49 0.61 0.28 -1.08 0.00 0.00 179.45 178.77 1of9 h VAL 49 N -1.11 0.66 0.61 0.50 2.07 -0.90 0.10 116.25 118.18 1of9 h VAL 49 Ca -0.09 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1of9 h VAL 49 Cb 0.68 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1of9 h VAL 49 CO 0.14 0.12 -0.29 -0.07 0.02 0.00 0.00 177.57 177.49 1of9 h LEU 50 N 0.67 -0.70 -1.57 2.57 3.38 -1.31 1.97 115.31 120.33 1of9 h LEU 50 Ca 0.58 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.80 1of9 h LEU 50 Cb 1.03 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1of9 h LEU 50 CO -0.37 -0.41 0.84 -0.78 0.09 0.00 0.00 178.44 177.82 1of9 h ASP 51 N -1.01 0.00 0.00 -0.43 1.82 0.39 -1.73 116.42 115.47 1of9 h ASP 51 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1of9 h ASP 51 Cb 0.63 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1of9 h ASP 51 CO 0.14 0.00 -0.31 0.15 -1.61 0.00 0.00 179.24 177.61 1of9 h PHE 52 N 0.00 0.00 0.00 0.28 3.57 -0.36 -3.51 116.94 116.92 1of9 h PHE 52 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1of9 h PHE 52 Cb 2.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.79 1of9 h PHE 52 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1of9 n GLY 53 N 1.68 2.45 0.35 2.40 0.00 0.66 -4.83 105.19 107.90 1of9 n GLY 53 Ca -0.04 -0.31 0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 0.51 -0.29 -0.61 5.03 -1.80 1.56 117.51 121.92 1of9 h ILE 54 Ca 0.00 -0.19 -0.04 0.00 -0.12 0.00 0.00 64.86 64.51 1of9 h ILE 54 Cb 0.00 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 33.69 1of9 h ILE 54 CO 0.00 0.10 0.01 0.44 -0.68 0.00 0.00 178.15 178.02 1of9 h ASP 55 N 0.55 0.40 0.63 1.72 5.19 -1.91 -2.44 116.42 120.55 1of9 h ASP 55 Ca 0.65 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.97 1of9 h ASP 55 Cb 1.29 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 40.70 1of9 h ASP 55 CO -0.48 0.45 -0.30 0.11 -3.12 0.00 0.00 179.24 175.90 1of9 h LYS 56 N 0.42 -0.81 -1.00 3.56 1.57 0.19 0.69 116.57 121.19 1of9 h LYS 56 Ca 0.09 0.06 0.36 0.00 -1.87 0.00 0.00 60.65 59.29 1of9 h LYS 56 Cb 0.26 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 32.59 1of9 h LYS 56 CO 0.01 -0.51 0.54 -0.07 -0.57 0.00 0.00 179.45 178.85 1of9 h LEU 57 N -1.15 0.41 0.58 2.94 4.07 -1.00 0.55 115.31 121.70 1of9 h LEU 57 Ca -0.09 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 1of9 h LEU 57 Cb 0.68 0.20 0.01 0.00 1.08 0.00 0.00 40.66 42.63 1of9 h LEU 57 CO 0.14 -0.26 -0.28 0.40 -1.08 0.00 0.00 178.44 177.37 1of9 h ILE 58 N 0.19 0.01 -1.00 1.22 2.04 -1.25 -2.93 117.51 115.79 1of9 h ILE 58 Ca 0.77 -0.43 0.31 0.00 1.00 0.00 0.00 64.86 66.50 1of9 h ILE 58 Cb 1.87 0.01 -0.15 0.00 -0.74 0.00 0.00 36.82 37.82 1of9 h ILE 58 CO -0.68 0.00 0.56 -0.61 0.00 0.00 0.00 178.15 177.42 1of9 h GLN 59 N -1.21 0.35 -0.17 2.37 4.15 0.18 0.48 115.11 121.26 1of9 h GLN 59 Ca -0.08 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.37 1of9 h GLN 59 Cb 0.60 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 1of9 h GLN 59 CO 0.13 0.23 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.07 1of9 h LEU 60 N 0.36 -0.40 -0.64 -2.39 3.38 -0.01 -1.21 115.31 114.40 1of9 h LEU 60 Ca 0.71 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.90 1of9 h LEU 60 Cb 1.58 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 42.42 1of9 h LEU 60 CO -0.59 -0.16 -0.06 -0.29 0.09 0.00 0.00 178.44 177.43 1of9 h ILE 61 N -0.13 0.42 -0.84 1.22 2.10 0.15 0.78 117.51 121.21 1of9 h ILE 61 Ca 0.11 -0.02 0.16 0.00 1.08 0.00 0.00 64.86 66.18 1of9 h ILE 61 Cb 0.28 0.34 -0.06 0.00 -1.09 0.00 0.00 36.82 36.30 1of9 h ILE 61 CO -0.25 0.01 0.55 -0.33 -1.08 0.00 0.00 178.15 177.05 1of9 h GLU 62 N 0.07 0.50 0.04 2.19 4.39 -0.89 -2.87 114.58 118.02 1of9 h GLU 62 Ca 0.33 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1of9 h GLU 62 Cb 0.54 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1of9 h GLU 62 CO -0.60 0.33 -0.02 0.22 -1.16 0.00 0.00 179.01 177.78 1of9 h ASP 63 N 0.52 -0.05 0.00 1.42 3.58 0.11 -3.47 116.42 118.53 1of9 h ASP 63 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1of9 h ASP 63 Cb 0.89 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1of9 h ASP 63 CO -0.17 -0.01 0.00 1.17 -2.88 0.00 0.00 179.24 177.35 1of9 n LYS 64 N -2.30 0.00 -3.98 0.28 3.00 0.02 -5.11 118.16 110.08 1of9 n LYS 64 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.97 1of9 n LYS 64 Cb 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.91 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 2.53 0.85 3.15 1.01 -0.96 -4.97 120.40 122.01 1of9 s VAL 65 Ca 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 59.96 1of9 s VAL 65 Cb 0.00 -2.66 0.15 0.00 0.00 0.00 0.00 36.38 33.87 1of9 s VAL 65 CO 0.00 -0.36 0.35 0.47 0.00 0.00 0.00 175.10 175.56 1of9 n ASP 66 N 4.42 -2.79 0.16 3.32 8.00 -1.26 -3.36 116.55 125.05 1of9 n ASP 66 Ca -0.05 -0.35 0.07 0.00 0.71 0.00 0.00 54.79 55.16 1of9 n ASP 66 Cb 0.42 -0.66 0.08 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.62 0.79 0.02 2.24 0.00 -1.96 -2.64 119.26 115.10 1of9 h ALA 67 Ca -0.16 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 1of9 h ALA 67 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1of9 h ALA 67 CO 0.09 0.35 -1.34 -0.97 0.00 0.00 0.00 179.25 177.39 1of9 h ASN 68 N 0.00 0.08 -0.59 0.00 -0.73 -1.89 -2.74 115.58 109.72 1of9 h ASN 68 Ca -0.01 -0.60 0.09 0.00 1.87 0.00 0.00 56.30 57.64 1of9 h ASN 68 Cb 1.22 -0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.75 1of9 h ASN 68 CO 0.03 1.54 0.39 0.00 -0.37 0.00 0.00 177.43 179.03 1of9 h ALA 69 N -0.37 1.98 0.08 1.57 0.00 -1.90 0.53 119.26 121.15 1of9 h ALA 69 Ca -0.35 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 1of9 h ALA 69 Cb 1.43 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1of9 h ALA 69 CO -0.15 -0.11 -1.12 0.97 0.00 0.00 0.00 179.25 178.84 1of9 h ILE 70 N 0.43 1.40 0.00 0.00 -0.00 -1.61 -2.81 117.51 114.91 1of9 h ILE 70 Ca 0.27 -2.64 0.00 0.00 -0.00 0.00 0.00 64.86 62.49 1of9 h ILE 70 Cb 0.49 2.66 0.00 0.00 -0.00 0.00 0.00 36.82 39.97 1of9 h ILE 70 CO -0.07 0.79 0.00 0.00 -0.00 0.00 0.00 178.15 178.86 1of9 n ALA 72 N -1.09 0.97 0.07 0.00 0.00 0.16 0.13 120.51 120.76 1of9 n ALA 72 Ca 0.19 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 1of9 n ALA 72 Cb 0.14 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 1of9 n ALA 72 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1of9 h LYS 73 N -0.03 -0.48 0.00 0.00 3.64 -1.35 0.55 116.57 118.91 1of9 h LYS 73 Ca -0.45 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1of9 h LYS 73 Cb 1.96 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1of9 h LYS 73 CO 0.03 -0.32 0.00 0.44 -2.27 0.00 0.00 179.45 177.33 1of9 n ILE 74 N -5.42 0.00 -3.93 2.00 -0.00 -1.24 -4.83 119.36 105.94 1of9 n ILE 74 Ca -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.40 1of9 n ILE 74 Cb 0.33 -0.30 0.02 0.00 -0.00 0.00 0.00 39.64 39.69 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 -0.71 -2.21 -1.03 4.28 -0.00 0.19 -4.81 115.22 110.94 1of9 n HIS 75 Ca 0.08 0.89 -0.18 0.00 -0.00 0.00 0.00 57.72 58.51 1of9 n HIS 75 Cb 0.04 -3.90 -0.01 0.00 -0.00 0.00 0.00 29.99 26.12 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 -4.62 5.47 -1.65 1.57 0.00 0.36 -4.84 120.51 116.79 1of9 n ALA 76 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1of9 n ALA 76 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1of9 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50