#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soh n PHE 14 N 0.00 0.00 0.04 4.78 -0.00 -1.26 -4.17 117.46 116.85 1soh n PHE 14 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 1soh n PHE 14 Cb 0.00 -0.44 -0.09 0.00 -0.00 0.00 0.00 39.48 38.95 1soh n PHE 14 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.76 178.13 1soh h LEU 15 N 0.00 0.00 -0.24 -2.13 8.10 -2.05 -3.29 115.31 115.70 1soh h LEU 15 Ca -0.25 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.55 1soh h LEU 15 Cb 1.46 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.65 1soh h LEU 15 CO -0.02 0.77 -0.89 0.74 -4.11 0.00 0.00 178.44 174.94 1soh h THR 16 N 0.00 1.61 0.03 0.15 2.02 -1.99 -2.64 112.91 112.09 1soh h THR 16 Ca -0.15 -2.95 -0.00 0.00 0.77 0.00 0.00 66.41 64.08 1soh h THR 16 Cb 1.72 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.74 1soh h THR 16 CO 0.07 0.85 -0.01 0.06 0.37 0.00 0.00 175.52 176.86 1soh h GLN 17 N 0.02 -0.04 -0.47 6.66 3.07 -1.72 -2.74 115.11 119.88 1soh h GLN 17 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 1soh h GLN 17 Cb 1.56 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 29.10 1soh h GLN 17 CO 0.12 0.20 0.14 0.28 0.09 0.00 0.00 178.83 179.67 1soh h VAL 18 N -0.28 1.19 -0.17 1.86 2.07 -1.63 -0.61 116.25 118.68 1soh h VAL 18 Ca -0.00 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1soh h VAL 18 Cb 0.26 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1soh h VAL 18 CO 0.01 0.25 0.20 0.11 0.02 0.00 0.00 177.57 178.15 1soh h LYS 19 N 0.68 0.00 0.00 1.57 1.57 -1.21 1.30 116.57 120.48 1soh h LYS 19 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1soh h LYS 19 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1soh h LYS 19 CO -0.01 0.00 -0.03 0.93 -0.57 0.00 0.00 179.45 179.77 1soh h GLU 20 N 0.00 0.00 0.00 3.15 3.07 -0.82 -2.94 114.58 117.04 1soh h GLU 20 Ca 0.08 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.72 1soh h GLU 20 Cb 0.48 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1soh h GLU 20 CO -0.00 0.00 -1.64 0.43 -1.40 0.00 0.00 179.01 176.40 1soh n SER 21 N -2.37 1.52 0.33 1.42 7.64 0.29 -3.19 113.62 119.26 1soh n SER 21 Ca 0.05 0.26 0.20 0.00 1.01 0.00 0.00 58.87 60.39 1soh n SER 21 Cb 0.44 -0.61 1.08 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.73 0.00 0.00 -3.43 8.10 0.11 0.97 115.31 120.33 1soh h LEU 22 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.63 1soh h LEU 22 Cb 1.20 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.41 1soh h LEU 22 CO -0.20 0.00 -1.93 -0.24 -4.11 0.00 0.00 178.44 171.95 1soh n SER 23 N -3.06 0.44 -0.33 0.17 2.88 -1.11 -3.35 113.62 109.27 1soh n SER 23 Ca -0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.63 1soh n SER 23 Cb 0.18 1.85 0.04 0.00 -0.75 0.00 0.00 64.21 65.53 1soh n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1soh n SER 24 N -2.22 1.58 -0.05 -3.46 2.88 0.45 -3.73 113.62 109.06 1soh n SER 24 Ca -0.05 -1.25 0.01 0.00 -1.33 0.00 0.00 58.87 56.25 1soh n SER 24 Cb 0.56 0.53 -0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1soh n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1soh n TYR 25 N -0.51 0.00 -0.07 0.66 4.02 0.31 -4.19 117.16 117.38 1soh n TYR 25 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.87 1soh n TYR 25 Cb 0.41 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.58 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1soh n TRP 26 N -0.44 0.45 0.13 -0.72 -0.00 -1.21 -2.99 117.44 112.65 1soh n TRP 26 Ca 0.01 0.16 0.08 0.00 -0.00 0.00 0.00 57.50 57.75 1soh n TRP 26 Cb 0.04 -1.08 0.03 0.00 -0.00 0.00 0.00 31.31 30.31 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 0.14 5.87 4.81 -1.81 -3.30 114.58 120.30 1soh h GLU 27 Ca -0.44 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.52 1soh h GLU 27 Cb 2.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.52 1soh h GLU 27 CO 0.05 0.12 -1.32 1.03 -0.73 0.00 0.00 179.01 178.16 1soh h SER 28 N 0.00 0.48 -0.42 1.04 0.87 -1.73 -2.59 113.55 111.20 1soh h SER 28 Ca -0.03 -0.89 0.12 0.00 -1.23 0.00 0.00 61.79 59.76 1soh h SER 28 Cb 1.16 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1soh h SER 28 CO 0.02 1.60 0.38 0.00 -0.53 0.00 0.00 176.83 178.30 1soh h ALA 29 N 0.02 2.19 0.00 6.23 0.00 -1.66 0.43 119.26 126.48 1soh h ALA 29 Ca -0.27 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1soh h ALA 29 Cb 1.82 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1soh h ALA 29 CO 0.12 -0.60 -1.51 1.17 0.00 0.00 0.00 179.25 178.43 1soh n LYS 30 N -3.94 0.63 0.12 0.00 0.00 -1.24 -2.61 118.16 111.12 1soh n LYS 30 Ca 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 58.31 58.55 1soh n LYS 30 Cb 0.57 -1.77 0.06 0.00 0.00 0.00 0.00 35.03 33.89 1soh n LYS 30 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1soh h THR 31 N 0.00 1.27 -0.36 3.15 2.02 0.10 -3.23 112.91 115.85 1soh h THR 31 Ca -0.18 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.50 1soh h THR 31 Cb 1.59 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 1soh h THR 31 CO 0.04 0.66 0.00 0.00 0.37 0.00 0.00 175.52 176.59 1soh n ALA 32 N -2.32 2.22 -0.11 6.16 0.00 0.65 -4.46 120.51 122.66 1soh n ALA 32 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.13 1soh n ALA 32 Cb 0.74 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 0.64 0.87 0.31 0.00 0.00 -1.07 -3.81 120.51 117.44 1soh n ALA 33 Ca 0.13 -0.72 0.20 0.00 0.00 0.00 0.00 53.44 53.05 1soh n ALA 33 Cb 0.44 -0.16 1.01 0.00 0.00 0.00 0.00 19.45 20.74 1soh n ALA 33 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1soh h GLN 34 N -1.00 0.00 0.24 0.00 1.08 -1.81 0.32 115.11 113.94 1soh h GLN 34 Ca -0.35 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 1soh h GLN 34 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1soh h GLN 34 CO -0.21 0.00 -0.11 -0.97 -0.95 0.00 0.00 178.83 176.58 1soh h ASN 35 N 0.00 -0.27 -0.11 1.46 -1.24 -1.78 -2.93 115.58 110.71 1soh h ASN 35 Ca 0.00 -0.04 -0.18 0.00 0.71 0.00 0.00 56.30 56.78 1soh h ASN 35 Cb 0.11 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.23 1soh h ASN 35 CO 0.00 0.21 -0.60 0.17 -1.29 0.00 0.00 177.43 175.92 1soh h LEU 36 N -1.07 0.80 -0.03 0.34 8.10 -1.61 -2.91 115.31 118.93 1soh h LEU 36 Ca -0.03 -0.45 0.00 0.00 0.11 0.00 0.00 57.88 57.51 1soh h LEU 36 Cb 0.30 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1soh h LEU 36 CO 0.05 1.22 0.00 -1.22 -4.11 0.00 0.00 178.44 174.38 1soh n TYR 37 N -3.96 0.03 0.56 0.17 4.01 0.11 -0.76 117.16 117.31 1soh n TYR 37 Ca -0.04 0.01 0.11 0.00 -0.16 0.00 0.00 57.90 57.82 1soh n TYR 37 Cb 0.64 -0.52 0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1soh n TYR 37 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1soh n GLU 38 N -1.53 0.29 -1.61 -0.72 1.02 -1.10 -3.70 120.64 113.29 1soh n GLU 38 Ca 0.03 -0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1soh n GLU 38 Cb 0.14 -1.60 0.02 0.00 -0.02 0.00 0.00 31.44 29.98 1soh n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1soh n LYS 39 N -1.98 0.20 0.01 3.49 4.76 -0.78 -4.61 118.16 119.25 1soh n LYS 39 Ca 0.02 -2.06 -0.03 0.00 -2.87 0.00 0.00 58.31 53.37 1soh n LYS 39 Cb 0.44 -0.12 -0.01 0.00 -1.84 0.00 0.00 35.03 33.50 1soh n LYS 39 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1soh n THR 40 N 0.31 0.80 -1.95 -0.18 5.66 0.06 -4.97 114.28 114.01 1soh n THR 40 Ca 0.03 0.17 -0.06 0.00 -3.05 0.00 0.00 64.05 61.14 1soh n THR 40 Cb 1.07 -1.64 -0.06 0.00 -1.55 0.00 0.00 70.33 68.15 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1soh n TYR 41 N -3.44 0.00 -3.19 1.09 4.19 -1.26 -5.09 117.16 109.46 1soh n TYR 41 Ca -0.05 -0.41 0.01 0.00 3.31 0.00 0.00 57.90 60.76 1soh n TYR 41 Cb 0.30 0.45 -0.02 0.00 0.49 0.00 0.00 39.34 40.56 1soh n TYR 41 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1soh s LEU 42 N 0.00 -1.29 0.01 2.98 1.43 -1.24 -5.02 118.68 115.55 1soh s LEU 42 Ca 0.00 0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 1soh s LEU 42 Cb 0.00 1.88 -0.18 0.00 0.03 0.00 0.00 46.19 47.92 1soh s LEU 42 CO 0.00 -0.29 1.35 1.55 0.23 0.00 0.00 176.35 179.19 1soh h PRO 43 N 8.04 0.09 0.00 1.29 0.13 -1.81 -3.36 132.00 136.38 1soh h PRO 43 Ca -0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1soh h PRO 43 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1soh h PRO 43 CO 0.23 0.49 -0.28 0.00 -0.23 0.00 0.00 178.00 178.21 1soh n ALA 44 N -2.33 1.82 0.08 -0.56 0.00 -1.26 -4.85 120.51 113.40 1soh n ALA 44 Ca -0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 1soh n ALA 44 Cb 0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 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 5.75 1.64 0.00 0.00 2.07 -1.91 -0.25 116.25 123.55 1soh h VAL 45 Ca 0.00 -3.20 -0.03 0.00 0.82 0.00 0.00 66.70 64.30 1soh h VAL 45 Cb 1.22 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1soh h VAL 45 CO 0.00 0.92 -0.14 -0.78 0.02 0.00 0.00 177.57 177.59 1soh h ASP 46 N 0.02 0.00 -0.24 0.57 3.58 -1.84 1.57 116.42 120.09 1soh h ASP 46 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1soh h ASP 46 Cb 1.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.78 1soh h ASP 46 CO 0.14 0.14 0.00 -0.62 -2.88 0.00 0.00 179.24 176.02 1soh n GLU 47 N -3.38 2.20 0.00 0.28 1.02 -1.15 -4.51 120.64 115.10 1soh n GLU 47 Ca -0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.37 1soh n GLU 47 Cb 0.34 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1soh n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1soh n LYS 48 N 0.49 0.00 0.14 3.49 4.81 -0.11 -4.17 118.16 122.80 1soh n LYS 48 Ca 0.10 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.70 1soh n LYS 48 Cb 0.37 -0.47 0.74 0.00 0.02 0.00 0.00 35.03 35.69 1soh n LYS 48 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1soh h LEU 49 N 0.00 0.00 0.00 3.14 7.12 0.21 -0.72 115.31 125.06 1soh h LEU 49 Ca 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 57.88 57.72 1soh h LEU 49 Cb 0.54 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.62 1soh h LEU 49 CO 0.00 0.00 -2.09 -2.11 -0.13 0.00 0.00 178.44 174.11 1soh n ARG 50 N -4.17 1.03 -0.24 1.25 1.85 -1.25 -4.08 116.66 111.05 1soh n ARG 50 Ca 0.04 0.05 -0.05 0.00 -1.00 0.00 0.00 57.85 56.89 1soh n ARG 50 Cb 0.38 -1.40 0.05 0.00 -1.05 0.00 0.00 32.46 30.45 1soh n ARG 50 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1soh h ASP 51 N 0.00 0.74 -0.35 2.89 5.19 -1.64 0.23 116.42 123.48 1soh h ASP 51 Ca -0.43 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1soh h ASP 51 Cb 1.83 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.16 1soh h ASP 51 CO -0.02 0.53 0.00 -0.11 -3.12 0.00 0.00 179.24 176.52 1soh n LEU 52 N -4.64 2.30 -0.02 1.55 0.00 -0.31 -3.78 117.00 112.09 1soh n LEU 52 Ca 0.06 -1.16 -0.03 0.00 0.00 0.00 0.00 56.01 54.89 1soh n LEU 52 Cb 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 43.42 43.09 1soh n LEU 52 CO 0.35 0.48 -0.66 -1.22 0.00 0.00 0.00 177.39 176.33 1soh n TYR 53 N 0.51 0.00 0.77 1.96 4.02 -0.38 -4.09 117.16 119.95 1soh n TYR 53 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1soh n TYR 53 Cb 0.41 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.49 1soh n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1soh n SER 54 N -2.24 0.90 0.00 7.72 2.88 0.67 -2.38 113.62 121.17 1soh n SER 54 Ca -0.08 -1.53 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1soh n SER 54 Cb 0.65 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1soh n SER 54 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1soh n LYS 55 N 0.16 1.82 -0.09 -1.46 3.00 -1.26 -4.57 118.16 115.77 1soh n LYS 55 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1soh n LYS 55 Cb 0.21 -0.15 -0.10 0.00 0.00 0.00 0.00 35.03 34.98 1soh n LYS 55 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1soh h SER 56 N 0.00 0.00 0.00 3.14 0.02 -1.62 -3.40 113.55 111.69 1soh h SER 56 Ca 0.00 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1soh h SER 56 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1soh h SER 56 CO 0.00 1.18 -0.00 0.41 -1.14 0.00 0.00 176.83 177.28 1soh n THR 57 N -4.54 1.48 -0.06 -2.27 -1.04 -1.05 -4.58 114.28 102.22 1soh n THR 57 Ca -0.20 -1.69 -0.08 0.00 -2.04 0.00 0.00 64.05 60.05 1soh n THR 57 Cb 0.53 0.09 -0.07 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.00 -0.00 0.00 2.41 0.00 -1.76 -0.71 119.26 119.20 1soh h ALA 58 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1soh h ALA 58 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1soh h ALA 58 CO 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 179.25 179.22 1soh h ALA 59 N -0.45 1.02 0.00 0.00 0.00 -1.84 -0.89 119.26 117.11 1soh h ALA 59 Ca -0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1soh h ALA 59 Cb 0.55 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1soh h ALA 59 CO 0.00 0.03 -1.52 1.98 0.00 0.00 0.00 179.25 179.74 1soh h MET 60 N 0.00 0.00 0.05 0.00 4.05 -1.81 -3.39 114.93 113.83 1soh h MET 60 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1soh h MET 60 Cb 0.40 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1soh h MET 60 CO 0.00 0.61 -0.03 0.77 0.23 0.00 0.00 176.91 178.50 1soh h SER 61 N 0.00 -0.06 0.00 1.39 0.02 -0.63 -3.47 113.55 110.80 1soh h SER 61 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1soh h SER 61 Cb 1.94 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1soh h SER 61 CO 0.09 0.26 0.00 0.41 -1.14 0.00 0.00 176.83 176.45 1soh n THR 62 N -3.90 0.00 -0.59 -2.27 -1.04 -0.38 -4.76 114.28 101.34 1soh n THR 62 Ca -0.01 0.00 0.47 0.00 -2.04 0.00 0.00 64.05 62.48 1soh n THR 62 Cb 0.03 -0.82 0.76 0.00 -1.82 0.00 0.00 70.33 68.48 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 -0.90 -1.42 0.05 -1.90 1.16 116.97 113.95 1soh h TYR 63 Ca 0.00 0.00 0.26 0.00 0.05 0.00 0.00 58.73 59.04 1soh h TYR 63 Cb 0.65 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.35 1soh h TYR 63 CO 0.41 0.00 0.74 1.15 -1.05 0.00 0.00 178.16 179.41 1soh h THR 64 N 0.00 0.38 0.00 -2.88 2.02 -1.95 1.57 112.91 112.06 1soh h THR 64 Ca 0.83 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.95 1soh h THR 64 Cb 3.47 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 70.33 1soh h THR 64 CO -0.01 0.00 -0.25 1.23 0.37 0.00 0.00 175.52 176.86 1soh h GLY 65 N 0.00 0.00 0.00 2.16 0.00 0.10 -3.23 103.07 102.11 1soh h GLY 65 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1soh h GLY 65 CO -0.00 0.00 -0.98 1.39 0.00 0.00 0.00 176.54 176.95 1soh n ILE 66 N -3.32 0.00 -0.56 2.60 5.41 0.45 -4.31 119.36 119.63 1soh n ILE 66 Ca 0.01 -0.25 0.45 0.00 1.00 0.00 0.00 62.75 63.96 1soh n ILE 66 Cb 0.49 0.65 0.77 0.00 -0.71 0.00 0.00 39.64 40.84 1soh n ILE 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1soh h PHE 67 N 0.00 0.12 0.00 1.39 3.04 0.11 1.01 116.94 122.61 1soh h PHE 67 Ca 0.00 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1soh h PHE 67 Cb 0.38 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.84 1soh h PHE 67 CO 0.00 -0.04 -1.74 2.41 -2.02 0.00 0.00 178.31 176.92 1soh n THR 68 N -4.16 0.34 0.02 4.41 -1.04 -1.26 -4.28 114.28 108.31 1soh n THR 68 Ca 0.38 -0.41 -0.13 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 70.06 1soh n THR 68 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1soh h ASP 69 N 0.00 0.68 0.24 8.00 1.82 -0.09 0.54 116.42 127.62 1soh h ASP 69 Ca -0.13 -0.44 -0.10 0.00 -0.39 0.00 0.00 57.03 55.96 1soh h ASP 69 Cb 1.08 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1soh h ASP 69 CO 0.01 1.21 -0.38 -0.61 -1.61 0.00 0.00 179.24 177.85 1soh h GLN 70 N 0.40 0.20 0.10 0.28 4.15 0.51 -2.57 115.11 118.18 1soh h GLN 70 Ca -0.04 -0.09 -0.34 0.00 0.77 0.00 0.00 58.65 58.96 1soh h GLN 70 Cb 1.33 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 1soh h GLN 70 CO 0.14 0.56 -1.83 0.28 -1.93 0.00 0.00 178.83 176.04 1soh h VAL 71 N 0.17 0.79 -0.02 2.39 2.07 -1.72 -3.32 116.25 116.61 1soh h VAL 71 Ca 0.02 -2.51 0.01 0.00 0.82 0.00 0.00 66.70 65.03 1soh h VAL 71 Cb 0.76 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1soh h VAL 71 CO 0.06 0.79 0.02 0.25 0.02 0.00 0.00 177.57 178.71 1soh h LEU 72 N 0.06 0.00 -0.19 2.57 5.85 0.14 -0.27 115.31 123.47 1soh h LEU 72 Ca -0.36 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 1soh h LEU 72 Cb 2.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 1soh h LEU 72 CO 0.11 0.00 -0.33 0.28 -0.34 0.00 0.00 178.44 178.16 1soh h SER 73 N 0.00 0.00 -0.23 1.25 0.02 -1.59 -3.20 113.55 109.80 1soh h SER 73 Ca 0.01 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1soh h SER 73 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1soh h SER 73 CO -0.00 0.33 0.16 0.58 -1.14 0.00 0.00 176.83 176.76 1soh h VAL 74 N 0.00 0.93 -0.17 2.27 2.07 -1.13 0.28 116.25 120.49 1soh h VAL 74 Ca -0.00 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1soh h VAL 74 Cb 1.18 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1soh h VAL 74 CO 0.04 0.01 0.26 -0.07 0.02 0.00 0.00 177.57 177.84 1soh h LEU 75 N 0.08 0.00 -6.22 2.57 3.38 -1.62 -3.32 115.31 110.17 1soh h LEU 75 Ca 0.10 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1soh h LEU 75 Cb 0.31 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.85 1soh h LEU 75 CO -0.01 0.00 -0.10 -0.54 0.09 0.00 0.00 178.44 177.88 1soh s LYS 76 N -4.46 0.46 0.00 1.13 -0.14 0.08 -4.92 119.74 111.89 1soh s LYS 76 Ca -0.04 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 55.47 1soh s LYS 76 Cb 0.14 0.52 0.00 0.00 -1.68 0.00 0.00 37.83 36.80 1soh s LYS 76 CO 0.47 -0.40 0.00 0.41 -0.76 0.00 0.00 175.35 175.07 1soh n GLY 77 N 5.39 0.83 2.70 -3.33 0.00 -1.23 -4.65 105.19 104.91 1soh n GLY 77 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.88 -2.67 0.00 1.61 4.07 -1.23 -4.96 120.64 116.58 1soh n GLU 78 Ca 0.00 0.22 0.01 0.00 -0.06 0.00 0.00 57.16 57.34 1soh n GLU 78 Cb 0.00 -4.77 0.09 0.00 -0.06 0.00 0.00 31.44 26.69 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16