#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soh h PHE 14 N 0.00 0.00 0.00 -1.42 -1.00 -2.07 -3.08 116.94 109.37 1soh h PHE 14 Ca 0.00 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.58 1soh h PHE 14 Cb 0.00 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 1soh h PHE 14 CO 0.00 0.36 -1.15 1.37 -1.61 0.00 0.00 178.31 177.28 1soh h LEU 15 N 0.00 0.00 -0.70 1.54 -0.00 -2.06 -3.32 115.31 110.78 1soh h LEU 15 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 1soh h LEU 15 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 1soh h LEU 15 CO 0.05 0.79 -0.59 0.74 -0.00 0.00 0.00 178.44 179.43 1soh h THR 16 N 0.00 1.39 0.24 0.15 2.02 -1.98 -2.38 112.91 112.35 1soh h THR 16 Ca -0.11 -1.97 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 1soh h THR 16 Cb 1.70 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1soh h THR 16 CO 0.08 0.58 -0.12 0.06 0.37 0.00 0.00 175.52 176.49 1soh h GLN 17 N 0.14 -0.32 -0.45 6.66 3.07 -1.63 -2.30 115.11 120.29 1soh h GLN 17 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1soh h GLN 17 Cb 1.08 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.69 1soh h GLN 17 CO 0.09 -0.18 0.18 0.28 0.09 0.00 0.00 178.83 179.29 1soh h VAL 18 N -0.36 1.17 -0.24 1.86 2.07 -1.67 0.10 116.25 119.18 1soh h VAL 18 Ca -0.03 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.04 1soh h VAL 18 Cb 0.28 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1soh h VAL 18 CO 0.06 0.20 0.27 0.50 0.02 0.00 0.00 177.57 178.62 1soh h LYS 19 N 0.63 0.00 0.00 1.57 1.63 -0.88 1.25 116.57 120.78 1soh h LYS 19 Ca 0.16 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.90 1soh h LYS 19 Cb 0.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1soh h LYS 19 CO -0.02 0.00 -0.25 0.93 -3.45 0.00 0.00 179.45 176.67 1soh h GLU 20 N 0.00 0.00 0.00 1.90 5.08 -0.56 -2.42 114.58 118.57 1soh h GLU 20 Ca 0.11 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.23 1soh h GLU 20 Cb 0.65 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1soh h GLU 20 CO -0.00 0.25 -1.73 0.43 -1.00 0.00 0.00 179.01 176.95 1soh n SER 21 N -3.21 1.93 0.30 1.42 7.64 0.30 -2.23 113.62 119.77 1soh n SER 21 Ca 0.02 0.37 0.20 0.00 1.01 0.00 0.00 58.87 60.47 1soh n SER 21 Cb 0.57 -0.81 1.07 0.00 -1.01 0.00 0.00 64.21 64.03 1soh n SER 21 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1soh h LEU 22 N -1.00 0.00 -1.07 -3.43 8.10 0.95 -0.58 115.31 118.29 1soh h LEU 22 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.62 1soh h LEU 22 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1soh h LEU 22 CO -0.23 0.00 -0.04 -0.24 -4.11 0.00 0.00 178.44 173.83 1soh n SER 23 N -2.92 1.34 0.33 0.17 2.88 -0.91 -4.59 113.62 109.92 1soh n SER 23 Ca -0.02 -1.17 0.21 0.00 -1.33 0.00 0.00 58.87 56.56 1soh n SER 23 Cb 0.08 0.14 1.16 0.00 -0.75 0.00 0.00 64.21 64.84 1soh n SER 23 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1soh h SER 24 N 1.04 0.00 0.34 -3.46 0.87 -0.63 0.70 113.55 112.41 1soh h SER 24 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1soh h SER 24 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1soh h SER 24 CO 0.00 0.00 -1.23 -1.22 -0.53 0.00 0.00 176.83 173.85 1soh n TYR 25 N -3.18 0.24 0.00 2.24 4.01 -1.26 -2.95 117.16 116.26 1soh n TYR 25 Ca -0.03 0.07 -0.02 0.00 -0.16 0.00 0.00 57.90 57.77 1soh n TYR 25 Cb 0.10 -0.45 -0.11 0.00 -0.31 0.00 0.00 39.34 38.57 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1soh n TRP 26 N -2.04 0.78 0.15 -0.72 -0.00 0.80 -3.16 117.44 113.25 1soh n TRP 26 Ca 0.01 0.26 0.11 0.00 -0.00 0.00 0.00 57.50 57.88 1soh n TRP 26 Cb 0.46 -1.05 0.06 0.00 -0.00 0.00 0.00 31.31 30.79 1soh n TRP 26 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1soh h GLU 27 N 0.00 0.00 0.11 5.87 4.81 0.07 -3.32 114.58 122.12 1soh h GLU 27 Ca -0.22 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.85 1soh h GLU 27 Cb 1.69 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.08 1soh h GLU 27 CO 0.04 0.03 -0.71 1.03 -0.73 0.00 0.00 179.01 178.68 1soh h SER 28 N 0.00 0.36 -0.51 1.04 0.87 -1.65 -2.06 113.55 111.60 1soh h SER 28 Ca -0.01 -0.95 0.15 0.00 -1.23 0.00 0.00 61.79 59.75 1soh h SER 28 Cb 1.04 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 1soh h SER 28 CO 0.00 1.33 0.49 0.00 -0.53 0.00 0.00 176.83 178.13 1soh h ALA 29 N 0.05 2.29 0.00 6.23 0.00 -1.67 0.64 119.26 126.80 1soh h ALA 29 Ca -0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1soh h ALA 29 Cb 1.52 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1soh h ALA 29 CO 0.11 -0.75 -1.70 1.63 0.00 0.00 0.00 179.25 178.54 1soh n LYS 30 N -3.85 0.64 0.13 0.00 4.76 -1.23 -3.17 118.16 115.44 1soh n LYS 30 Ca 0.10 0.17 0.01 0.00 -2.87 0.00 0.00 58.31 55.71 1soh n LYS 30 Cb 0.69 -1.73 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1soh n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1soh h THR 31 N 0.00 1.03 -0.49 -0.18 1.03 0.53 -3.03 112.91 111.80 1soh h THR 31 Ca -0.25 -2.39 0.00 0.00 -0.01 0.00 0.00 66.41 63.76 1soh h THR 31 Cb 1.75 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 71.30 1soh h THR 31 CO 0.05 0.58 0.00 0.00 -0.01 0.00 0.00 175.52 176.13 1soh n ALA 32 N -2.26 2.38 -0.09 0.00 0.00 0.18 -4.07 120.51 116.65 1soh n ALA 32 Ca 0.01 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.23 1soh n ALA 32 Cb 0.75 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 1soh n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1soh n ALA 33 N 1.43 1.58 0.25 0.00 0.00 -1.19 -4.12 120.51 118.46 1soh n ALA 33 Ca 0.20 -0.91 0.15 0.00 0.00 0.00 0.00 53.44 52.88 1soh n ALA 33 Cb 0.58 -0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.51 1soh n ALA 33 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1soh h GLN 34 N 0.00 0.00 0.19 0.00 5.75 -1.72 -1.52 115.11 117.81 1soh h GLN 34 Ca -0.44 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.05 1soh h GLN 34 Cb 1.78 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.33 1soh h GLN 34 CO -0.04 0.01 -0.09 -0.97 -2.65 0.00 0.00 178.83 175.08 1soh h ASN 35 N 0.00 -0.22 -0.51 -0.69 -1.24 -1.77 -2.50 115.58 108.64 1soh h ASN 35 Ca -0.00 -0.13 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 1soh h ASN 35 Cb 0.71 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.80 1soh h ASN 35 CO 0.00 0.29 0.16 -0.07 -1.29 0.00 0.00 177.43 176.53 1soh h LEU 36 N -1.03 0.74 -0.63 0.34 3.38 -1.71 -1.95 115.31 114.45 1soh h LEU 36 Ca -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1soh h LEU 36 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1soh h LEU 36 CO 0.04 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1soh n TYR 37 N -4.49 0.57 0.08 1.13 9.36 -0.57 -1.91 117.16 121.34 1soh n TYR 37 Ca 0.02 0.24 0.02 0.00 3.32 0.00 0.00 57.90 61.50 1soh n TYR 37 Cb 0.19 -0.89 -0.03 0.00 -0.63 0.00 0.00 39.34 37.99 1soh n TYR 37 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1soh h GLU 38 N 0.00 0.00 -0.41 2.98 4.39 -0.88 -3.02 114.58 117.65 1soh h GLU 38 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1soh h GLU 38 Cb 0.25 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 1soh h GLU 38 CO 0.00 0.35 0.05 1.17 -1.16 0.00 0.00 179.01 179.43 1soh n LYS 39 N -3.02 2.74 0.00 2.33 4.81 -0.80 -4.06 118.16 120.16 1soh n LYS 39 Ca -0.04 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.40 1soh n LYS 39 Cb 0.77 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1soh n LYS 39 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1soh n THR 40 N -0.65 0.00 -1.51 3.15 -2.24 -1.09 -4.85 114.28 107.09 1soh n THR 40 Ca 0.30 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.97 1soh n THR 40 Cb 1.06 -0.48 0.16 0.00 -2.10 0.00 0.00 70.33 68.98 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1soh n TYR 41 N -2.22 1.64 -2.37 4.78 9.36 -1.14 -5.00 117.16 122.21 1soh n TYR 41 Ca 0.00 -1.85 -0.43 0.00 3.32 0.00 0.00 57.90 58.95 1soh n TYR 41 Cb 0.18 -0.60 -0.02 0.00 -0.63 0.00 0.00 39.34 38.27 1soh n TYR 41 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1soh s LEU 42 N -3.36 3.74 -0.12 2.98 2.96 -1.26 -4.92 118.68 118.70 1soh s LEU 42 Ca 0.48 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 55.30 1soh s LEU 42 Cb 0.42 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.45 1soh s LEU 42 CO 0.01 -1.27 0.32 1.55 -1.32 0.00 0.00 176.35 175.64 1soh h PRO 43 N 10.08 0.00 0.00 0.98 0.13 -1.94 -3.47 132.00 137.78 1soh h PRO 43 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1soh h PRO 43 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1soh h PRO 43 CO 1.06 0.46 0.00 0.00 -0.23 0.00 0.00 178.00 179.29 1soh n ALA 44 N -2.80 0.00 0.12 -0.56 0.00 -1.26 -5.00 120.51 111.01 1soh n ALA 44 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1soh n ALA 44 Cb 0.25 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.81 1soh n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1soh h VAL 45 N 0.00 1.49 0.00 0.00 2.07 -1.94 -0.53 116.25 117.34 1soh h VAL 45 Ca 0.00 -2.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.07 1soh h VAL 45 Cb 0.00 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1soh h VAL 45 CO 0.00 0.68 -0.34 -0.78 0.02 0.00 0.00 177.57 177.15 1soh h ASP 46 N 0.00 0.00 -0.24 0.57 1.82 -1.98 1.26 116.42 117.85 1soh h ASP 46 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1soh h ASP 46 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1soh h ASP 46 CO 0.09 0.34 0.00 -0.62 -1.61 0.00 0.00 179.24 177.44 1soh n GLU 47 N -3.46 2.81 0.07 0.28 4.71 -1.07 -4.75 120.64 119.23 1soh n GLU 47 Ca 0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 57.16 54.33 1soh n GLU 47 Cb 0.51 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1soh n GLU 47 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1soh n LYS 48 N -0.56 0.00 -4.14 3.49 5.02 -0.23 -4.77 118.16 116.97 1soh n LYS 48 Ca 0.21 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 1soh n LYS 48 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.82 1soh n LYS 48 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1soh n LEU 49 N -2.78 -1.58 -3.15 -0.35 0.00 0.43 0.13 117.00 109.70 1soh n LEU 49 Ca 0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 56.01 54.65 1soh n LEU 49 Cb 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 43.42 41.53 1soh n LEU 49 CO 0.00 0.45 -0.05 -2.11 0.00 0.00 0.00 177.39 175.69 1soh n ARG 50 N -4.50 -3.61 0.00 1.96 1.85 -1.26 -4.80 116.66 106.31 1soh n ARG 50 Ca -0.32 0.60 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 1soh n ARG 50 Cb 0.69 -5.33 0.00 0.00 -1.05 0.00 0.00 32.46 26.77 1soh n ARG 50 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1soh n ASP 51 N -2.28 4.05 -0.95 2.89 2.03 0.34 -4.57 116.55 118.04 1soh n ASP 51 Ca -0.06 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.30 1soh n ASP 51 Cb 0.57 0.18 0.18 0.00 -0.72 0.00 0.00 41.12 41.33 1soh n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1soh n LEU 52 N -2.22 2.71 -0.04 -2.67 7.99 -1.13 -3.89 117.00 117.76 1soh n LEU 52 Ca 0.00 -1.37 -0.05 0.00 -0.01 0.00 0.00 56.01 54.58 1soh n LEU 52 Cb 0.46 -0.43 -0.04 0.00 -0.11 0.00 0.00 43.42 43.31 1soh n LEU 52 CO 0.00 0.47 -0.74 0.00 -1.51 0.00 0.00 177.39 175.61 1soh n TYR 53 N 0.44 0.00 -3.72 -1.77 4.19 -1.26 -5.02 117.16 110.02 1soh n TYR 53 Ca 0.13 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 61.07 1soh n TYR 53 Cb 0.53 -0.29 0.04 0.00 0.49 0.00 0.00 39.34 40.11 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1soh n SER 54 N -2.65 -5.24 -0.73 2.98 7.64 -1.25 -0.06 113.62 114.31 1soh n SER 54 Ca -0.13 -0.65 -0.10 0.00 1.01 0.00 0.00 58.87 59.01 1soh n SER 54 Cb 0.65 -4.18 -0.04 0.00 -1.01 0.00 0.00 64.21 59.63 1soh n SER 54 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1soh n LYS 55 N -4.63 -1.64 0.22 1.43 4.01 -1.26 -4.85 118.16 111.44 1soh n LYS 55 Ca 0.02 0.82 -0.15 0.00 -0.51 0.00 0.00 58.31 58.49 1soh n LYS 55 Cb 0.54 -5.20 -0.08 0.00 -0.51 0.00 0.00 35.03 29.79 1soh n LYS 55 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1soh h SER 56 N 0.00 -0.51 0.00 4.39 0.02 -0.88 -3.39 113.55 113.19 1soh h SER 56 Ca -0.19 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1soh h SER 56 Cb 1.11 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1soh h SER 56 CO 0.29 -0.34 -0.46 0.41 -1.14 0.00 0.00 176.83 175.58 1soh n THR 57 N -5.34 0.00 0.05 -2.27 -1.04 -1.26 -4.88 114.28 99.55 1soh n THR 57 Ca -0.10 -0.15 -0.20 0.00 -2.04 0.00 0.00 64.05 61.56 1soh n THR 57 Cb 0.24 0.47 -0.12 0.00 -1.82 0.00 0.00 70.33 69.10 1soh n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1soh h ALA 58 N 0.15 0.03 0.00 2.41 0.00 -1.88 -2.53 119.26 117.44 1soh h ALA 58 Ca -0.07 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 1soh h ALA 58 Cb 1.39 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1soh h ALA 58 CO -0.00 0.55 -0.29 0.00 0.00 0.00 0.00 179.25 179.51 1soh h ALA 59 N 0.29 0.94 0.00 0.00 0.00 -1.90 -2.62 119.26 115.98 1soh h ALA 59 Ca -0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1soh h ALA 59 Cb 1.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1soh h ALA 59 CO 0.19 0.36 -0.30 0.52 0.00 0.00 0.00 179.25 180.02 1soh h MET 60 N 0.00 0.00 -1.03 0.00 2.86 -1.89 -3.34 114.93 111.53 1soh h MET 60 Ca -0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1soh h MET 60 Cb 0.91 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 32.15 1soh h MET 60 CO 0.04 0.04 -0.88 0.43 1.06 0.00 0.00 176.91 177.59 1soh n SER 61 N -3.00 3.91 -0.00 1.22 7.64 -0.96 -4.71 113.62 117.72 1soh n SER 61 Ca 0.03 -3.36 0.07 0.00 1.01 0.00 0.00 58.87 56.62 1soh n SER 61 Cb 0.55 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1soh n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1soh n THR 62 N -0.52 0.00 -0.25 0.44 -1.04 -1.00 -4.48 114.28 107.43 1soh n THR 62 Ca 0.32 -0.25 0.33 0.00 -2.04 0.00 0.00 64.05 62.41 1soh n THR 62 Cb 0.81 0.58 0.68 0.00 -1.82 0.00 0.00 70.33 70.58 1soh n THR 62 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1soh h TYR 63 N 0.00 0.00 -0.76 -1.42 0.05 -1.85 0.50 116.97 113.49 1soh h TYR 63 Ca 0.00 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.00 1soh h TYR 63 Cb 0.52 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1soh h TYR 63 CO 0.00 0.00 0.70 1.15 -1.05 0.00 0.00 178.16 178.96 1soh h THR 64 N 0.00 0.33 -0.00 -2.88 2.02 -1.97 1.00 112.91 111.40 1soh h THR 64 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.69 1soh h THR 64 Cb 2.38 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1soh h THR 64 CO -0.01 0.00 -0.36 0.61 0.37 0.00 0.00 175.52 176.13 1soh n GLY 65 N -1.62 -0.09 0.00 2.16 0.00 0.17 -4.48 105.19 101.33 1soh n GLY 65 Ca 0.16 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1soh n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1soh n ILE 66 N -0.66 0.00 -0.56 -0.61 2.08 0.15 -4.31 119.36 115.45 1soh n ILE 66 Ca 0.04 -0.21 0.45 0.00 0.56 0.00 0.00 62.75 63.59 1soh n ILE 66 Cb 0.21 0.75 0.77 0.00 -0.75 0.00 0.00 39.64 40.63 1soh n ILE 66 CO 0.00 0.00 0.00 -0.26 0.56 0.00 0.00 176.55 176.85 1soh h PHE 67 N 0.00 0.09 0.00 1.39 -1.00 0.54 0.97 116.94 118.93 1soh h PHE 67 Ca 0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1soh h PHE 67 Cb 0.45 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1soh h PHE 67 CO 0.00 -0.03 -1.75 2.41 -1.61 0.00 0.00 178.31 177.33 1soh n THR 68 N -4.13 0.35 0.04 -1.55 -1.04 -1.26 -4.30 114.28 102.39 1soh n THR 68 Ca 0.38 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.05 61.85 1soh n THR 68 Cb 1.70 -0.14 -0.01 0.00 -1.82 0.00 0.00 70.33 70.05 1soh n THR 68 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1soh h ASP 69 N 0.00 0.61 0.38 8.00 3.32 -0.16 0.19 116.42 128.75 1soh h ASP 69 Ca -0.14 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.41 1soh h ASP 69 Cb 1.10 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1soh h ASP 69 CO 0.01 1.18 -0.40 0.06 -1.72 0.00 0.00 179.24 178.37 1soh h GLN 70 N 0.33 0.03 0.16 3.56 3.07 0.44 -2.37 115.11 120.33 1soh h GLN 70 Ca -0.05 -0.01 -0.36 0.00 0.09 0.00 0.00 58.65 58.32 1soh h GLN 70 Cb 1.39 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.95 1soh h GLN 70 CO 0.14 0.43 -1.86 0.28 0.09 0.00 0.00 178.83 177.91 1soh h VAL 71 N 0.03 0.80 0.00 1.86 2.07 -1.72 -3.31 116.25 115.97 1soh h VAL 71 Ca -0.00 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 1soh h VAL 71 Cb 0.72 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1soh h VAL 71 CO 0.05 0.88 -0.01 0.25 0.02 0.00 0.00 177.57 178.76 1soh h LEU 72 N 0.09 0.00 -0.25 2.57 5.85 -0.58 -0.23 115.31 122.77 1soh h LEU 72 Ca -0.38 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1soh h LEU 72 Cb 2.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.09 1soh h LEU 72 CO 0.14 0.01 -0.29 0.28 -0.34 0.00 0.00 178.44 178.24 1soh h SER 73 N 0.00 0.00 -0.29 1.25 0.02 -1.55 -3.19 113.55 109.79 1soh h SER 73 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1soh h SER 73 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1soh h SER 73 CO 0.00 0.29 0.20 0.58 -1.14 0.00 0.00 176.83 176.76 1soh h VAL 74 N 0.00 0.96 -0.21 2.27 2.07 -1.08 0.12 116.25 120.38 1soh h VAL 74 Ca -0.00 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1soh h VAL 74 Cb 1.13 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1soh h VAL 74 CO 0.04 0.04 0.28 0.25 0.02 0.00 0.00 177.57 178.19 1soh h LEU 75 N 0.20 0.00 -6.20 2.57 5.85 -1.63 -3.33 115.31 112.78 1soh h LEU 75 Ca 0.12 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.99 1soh h LEU 75 Cb 0.24 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.06 1soh h LEU 75 CO -0.02 0.00 -0.07 -0.54 -0.34 0.00 0.00 178.44 177.47 1soh s LYS 76 N -4.54 0.42 0.00 1.25 3.01 0.02 -4.92 119.74 114.99 1soh s LYS 76 Ca -0.04 0.83 0.00 0.00 -1.01 0.00 0.00 55.97 55.75 1soh s LYS 76 Cb 0.14 0.48 0.00 0.00 -1.01 0.00 0.00 37.83 37.44 1soh s LYS 76 CO 0.51 -0.38 0.00 0.41 0.51 0.00 0.00 175.35 176.40 1soh n GLY 77 N 5.38 0.71 2.66 -3.33 0.00 -1.22 -4.61 105.19 104.78 1soh n GLY 77 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1soh n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1soh n GLU 78 N -1.08 -2.67 0.00 1.61 4.07 -1.20 -4.94 120.64 116.43 1soh n GLU 78 Ca 0.00 0.24 0.15 0.00 -0.06 0.00 0.00 57.16 57.49 1soh n GLU 78 Cb 0.00 -4.79 0.77 0.00 -0.06 0.00 0.00 31.44 27.36 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16