#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 -0.05 4.78 3.01 -1.26 -4.80 117.46 119.14 1soh n PHE 14 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1soh n PHE 14 Cb 0.00 -1.81 -0.05 0.00 -0.01 0.00 0.00 39.48 37.61 1soh n PHE 14 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 1soh n LEU 15 N -0.77 2.41 0.16 4.37 -0.00 -1.26 -4.47 117.00 117.44 1soh n LEU 15 Ca -0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 56.01 55.91 1soh n LEU 15 Cb 0.37 -0.25 0.25 0.00 -0.00 0.00 0.00 43.42 43.79 1soh n LEU 15 CO 0.10 0.58 0.58 0.74 -0.00 0.00 0.00 177.39 179.39 1soh h THR 16 N 0.00 1.25 0.08 1.47 2.02 -1.99 -2.43 112.91 113.31 1soh h THR 16 Ca -0.22 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.12 1soh h THR 16 Cb 1.37 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1soh h THR 16 CO -0.03 0.50 -0.04 0.06 0.37 0.00 0.00 175.52 176.39 1soh h GLN 17 N 0.00 -0.10 -0.52 6.66 3.07 -1.96 -2.70 115.11 119.54 1soh h GLN 17 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1soh h GLN 17 Cb 0.98 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.54 1soh h GLN 17 CO 0.07 0.11 0.20 0.28 0.09 0.00 0.00 178.83 179.58 1soh h VAL 18 N -0.30 1.19 -0.26 1.86 2.07 -1.77 -0.30 116.25 118.74 1soh h VAL 18 Ca -0.01 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 66.98 1soh h VAL 18 Cb 0.26 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1soh h VAL 18 CO 0.02 0.24 0.28 0.11 0.02 0.00 0.00 177.57 178.24 1soh h LYS 19 N 0.75 0.00 0.00 1.57 1.57 -1.13 1.35 116.57 120.67 1soh h LYS 19 Ca 0.18 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1soh h LYS 19 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1soh h LYS 19 CO -0.02 0.00 -0.42 0.93 -0.57 0.00 0.00 179.45 179.37 1soh h GLU 20 N 0.00 0.00 0.00 3.15 4.39 -0.75 -2.47 114.58 118.90 1soh h GLU 20 Ca 0.12 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.64 1soh h GLU 20 Cb 0.69 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1soh h GLU 20 CO -0.00 0.42 -1.26 0.43 -1.16 0.00 0.00 179.01 177.44 1soh n SER 21 N -3.25 1.87 0.29 1.42 7.64 0.30 -1.57 113.62 120.32 1soh n SER 21 Ca 0.02 0.46 0.20 0.00 1.01 0.00 0.00 58.87 60.55 1soh n SER 21 Cb 0.68 -0.88 1.02 0.00 -1.01 0.00 0.00 64.21 64.02 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 -1.17 -3.43 8.10 0.12 -0.47 115.31 117.46 1soh h LEU 22 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.72 1soh h LEU 22 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 1soh h LEU 22 CO -0.16 0.00 -0.02 -0.24 -4.11 0.00 0.00 178.44 173.91 1soh n SER 23 N -2.88 1.45 0.33 0.17 2.88 -0.93 -4.59 113.62 110.06 1soh n SER 23 Ca -0.02 -1.23 0.23 0.00 -1.33 0.00 0.00 58.87 56.52 1soh n SER 23 Cb 0.09 0.06 1.20 0.00 -0.75 0.00 0.00 64.21 64.81 1soh n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1soh h SER 24 N 1.17 0.00 0.12 -3.46 0.02 -0.04 0.56 113.55 111.92 1soh h SER 24 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1soh h SER 24 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1soh h SER 24 CO 0.00 0.00 -1.26 0.00 -1.14 0.00 0.00 176.83 174.43 1soh n TYR 25 N -3.06 0.07 -0.01 3.45 9.36 -1.26 -3.05 117.16 122.66 1soh n TYR 25 Ca -0.03 0.02 -0.01 0.00 3.32 0.00 0.00 57.90 61.20 1soh n TYR 25 Cb 0.07 -0.25 -0.11 0.00 -0.63 0.00 0.00 39.34 38.42 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 0.22 0.00 0.00 176.86 178.95 1soh n TRP 26 N -1.82 0.65 0.09 2.98 -0.00 0.55 -3.04 117.44 116.86 1soh n TRP 26 Ca 0.01 0.22 0.05 0.00 -0.00 0.00 0.00 57.50 57.79 1soh n TRP 26 Cb 0.42 -1.00 -0.01 0.00 -0.00 0.00 0.00 31.31 30.72 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 0.17 5.87 4.22 -0.19 -3.34 114.58 121.32 1soh h GLU 27 Ca -0.24 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 58.97 1soh h GLU 27 Cb 1.69 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.96 1soh h GLU 27 CO 0.04 0.20 -1.03 1.03 -2.18 0.00 0.00 179.01 177.07 1soh h SER 28 N 0.00 0.58 -0.63 1.04 0.87 -1.67 -2.71 113.55 111.02 1soh h SER 28 Ca -0.06 -0.94 0.18 0.00 -1.23 0.00 0.00 61.79 59.74 1soh h SER 28 Cb 1.30 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1soh h SER 28 CO 0.03 1.50 0.56 0.00 -0.53 0.00 0.00 176.83 178.38 1soh h ALA 29 N 0.10 2.46 0.00 6.23 0.00 -1.67 0.77 119.26 127.15 1soh h ALA 29 Ca -0.18 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 1soh h ALA 29 Cb 1.80 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1soh h ALA 29 CO 0.19 -0.89 -1.61 0.87 0.00 0.00 0.00 179.25 177.81 1soh h LYS 30 N 0.00 0.00 0.00 0.00 1.79 -1.67 -2.70 116.57 113.99 1soh h LYS 30 Ca 0.30 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.57 1soh h LYS 30 Cb 1.42 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.04 1soh h LYS 30 CO -0.00 0.47 -0.95 1.79 -1.08 0.00 0.00 179.45 179.68 1soh h THR 31 N 0.00 1.65 -0.50 -0.16 1.35 0.19 -3.25 112.91 112.19 1soh h THR 31 Ca -0.25 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.32 1soh h THR 31 Cb 1.91 2.79 0.00 0.00 -1.73 0.00 0.00 68.15 71.12 1soh h THR 31 CO 0.07 0.93 0.00 0.00 -0.25 0.00 0.00 175.52 176.28 1soh n ALA 32 N -2.34 2.34 -0.07 6.62 0.00 0.22 -4.43 120.51 122.85 1soh n ALA 32 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 53.44 52.22 1soh n ALA 32 Cb 0.91 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 1soh n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1soh h ALA 33 N 3.61 0.05 -0.01 0.00 0.00 -1.51 -3.04 119.26 118.36 1soh h ALA 33 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1soh h ALA 33 Cb 0.89 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1soh h ALA 33 CO 0.00 0.34 0.03 0.37 0.00 0.00 0.00 179.25 179.98 1soh h GLN 34 N -1.00 0.00 0.10 0.00 4.15 -1.80 0.94 115.11 117.50 1soh h GLN 34 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1soh h GLN 34 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1soh h GLN 34 CO -0.04 0.00 -0.05 -0.97 -1.93 0.00 0.00 178.83 175.84 1soh h ASN 35 N 0.00 -0.12 -0.76 -0.69 -1.24 -1.77 -2.92 115.58 108.08 1soh h ASN 35 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.05 1soh h ASN 35 Cb 0.06 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 1soh h ASN 35 CO -0.00 0.30 0.50 0.17 -1.29 0.00 0.00 177.43 177.11 1soh h LEU 36 N -0.91 0.81 0.00 0.34 8.10 -1.38 0.52 115.31 122.79 1soh h LEU 36 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1soh h LEU 36 Cb 0.11 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.14 1soh h LEU 36 CO 0.02 0.56 0.00 0.00 -4.11 0.00 0.00 178.44 174.92 1soh n TYR 37 N -4.45 0.00 -0.03 0.17 4.19 0.30 0.11 117.16 117.45 1soh n TYR 37 Ca 0.09 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.31 1soh n TYR 37 Cb 0.10 -0.41 -0.14 0.00 0.49 0.00 0.00 39.34 39.38 1soh n TYR 37 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1soh n GLU 38 N -1.41 0.66 -0.10 2.98 1.02 0.13 -3.86 120.64 120.07 1soh n GLU 38 Ca 0.07 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 1soh n GLU 38 Cb 0.20 -1.59 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.58 1.35 -0.09 3.49 5.02 -0.91 -4.74 118.16 119.70 1soh n LYS 39 Ca -0.16 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 1soh n LYS 39 Cb 0.84 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1soh n LYS 39 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1soh n THR 40 N -0.49 0.00 -2.50 -0.18 -1.04 0.29 -4.87 114.28 105.50 1soh n THR 40 Ca 0.03 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.06 1soh n THR 40 Cb 0.47 0.73 0.02 0.00 -1.82 0.00 0.00 70.33 69.73 1soh n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1soh n TYR 41 N 0.00 0.14 0.02 -1.42 4.19 -1.23 -4.87 117.16 114.00 1soh n TYR 41 Ca 0.00 -0.78 0.00 0.00 3.31 0.00 0.00 57.90 60.43 1soh n TYR 41 Cb 0.53 -0.04 0.00 0.00 0.49 0.00 0.00 39.34 40.32 1soh n TYR 41 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1soh n LEU 42 N 0.22 0.03 -3.05 2.98 4.32 -1.26 -4.91 117.00 115.33 1soh n LEU 42 Ca 0.01 0.08 -0.24 0.00 -0.02 0.00 0.00 56.01 55.84 1soh n LEU 42 Cb 1.04 0.04 -0.04 0.00 -1.62 0.00 0.00 43.42 42.84 1soh n LEU 42 CO -0.04 -0.56 2.47 -0.81 -1.22 0.00 0.00 177.39 177.23 1soh n PRO 43 N -2.70 2.41 -0.82 3.23 -0.04 -1.26 -3.28 135.00 132.54 1soh n PRO 43 Ca 0.00 -1.53 -0.04 0.00 -0.04 0.00 0.00 63.50 61.89 1soh n PRO 43 Cb 0.00 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 30.98 1soh n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1soh n ALA 44 N 3.79 1.34 0.18 0.55 0.00 -1.26 -4.96 120.51 120.15 1soh n ALA 44 Ca 0.51 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.64 1soh n ALA 44 Cb 0.24 -0.31 0.16 0.00 0.00 0.00 0.00 19.45 19.54 1soh n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1soh h VAL 45 N 2.70 0.54 0.00 0.00 3.04 -1.91 0.96 116.25 121.57 1soh h VAL 45 Ca -0.31 -1.64 -0.07 0.00 -1.01 0.00 0.00 66.70 63.67 1soh h VAL 45 Cb 1.00 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 1soh h VAL 45 CO -0.16 0.29 -0.76 -0.78 -1.01 0.00 0.00 177.57 175.16 1soh h ASP 46 N 0.00 0.00 0.00 3.17 3.58 -1.93 -2.23 116.42 119.02 1soh h ASP 46 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1soh h ASP 46 Cb 1.14 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 1soh h ASP 46 CO 0.04 0.28 -2.00 -0.62 -2.88 0.00 0.00 179.24 174.05 1soh n GLU 47 N -2.96 1.47 0.00 0.28 -0.58 -1.18 -4.83 120.64 112.83 1soh n GLU 47 Ca -0.01 -0.02 -0.03 0.00 -0.42 0.00 0.00 57.16 56.68 1soh n GLU 47 Cb 0.67 -1.38 -0.01 0.00 -0.57 0.00 0.00 31.44 30.14 1soh n GLU 47 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1soh n LYS 48 N -2.52 0.17 -1.12 3.49 5.02 0.32 -4.21 118.16 119.32 1soh n LYS 48 Ca -0.23 0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.09 1soh n LYS 48 Cb 0.94 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 35.16 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 -3.74 0.48 0.00 -0.35 0.00 -0.61 -2.92 117.00 109.86 1soh n LEU 49 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 56.01 56.06 1soh n LEU 49 Cb 0.16 -2.49 0.00 0.00 0.00 0.00 0.00 43.42 41.09 1soh n LEU 49 CO 0.07 -0.98 0.00 -2.11 0.00 0.00 0.00 177.39 174.37 1soh n ARG 50 N 0.20 0.00 0.00 1.96 1.85 -1.26 -4.96 116.66 114.44 1soh n ARG 50 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 1soh n ARG 50 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1soh n ARG 50 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1soh n ASP 51 N 0.00 0.00 0.00 2.89 8.00 -1.20 -5.01 116.55 121.23 1soh n ASP 51 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 1soh n ASP 51 Cb 0.00 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.51 1soh n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1soh n LEU 52 N 0.00 0.00 -0.05 0.64 4.77 -1.15 -3.25 117.00 117.96 1soh n LEU 52 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1soh n LEU 52 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1soh n LEU 52 CO 0.00 0.00 -1.04 0.00 -1.33 0.00 0.00 177.39 175.02 1soh n TYR 53 N -0.73 0.72 -3.67 -1.77 9.36 -1.26 -4.85 117.16 114.95 1soh n TYR 53 Ca 0.10 0.15 -0.23 0.00 3.32 0.00 0.00 57.90 61.25 1soh n TYR 53 Cb 0.05 -1.09 0.05 0.00 -0.63 0.00 0.00 39.34 37.71 1soh n TYR 53 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1soh n SER 54 N -3.38 -2.80 -1.39 2.98 2.88 -1.20 -0.60 113.62 110.10 1soh n SER 54 Ca -0.38 -0.73 -0.16 0.00 -1.33 0.00 0.00 58.87 56.27 1soh n SER 54 Cb 1.02 -4.39 -0.07 0.00 -0.75 0.00 0.00 64.21 60.03 1soh n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1soh n LYS 55 N -4.43 -1.45 0.10 -1.46 5.02 -1.26 -4.84 118.16 109.84 1soh n LYS 55 Ca -0.19 1.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1soh n LYS 55 Cb 0.63 -5.33 -0.06 0.00 -0.02 0.00 0.00 35.03 30.25 1soh n LYS 55 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1soh h SER 56 N 0.00 -0.44 0.00 4.39 0.87 -1.25 -3.38 113.55 113.74 1soh h SER 56 Ca -0.34 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1soh h SER 56 Cb 1.14 0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 63.20 1soh h SER 56 CO 0.49 -0.23 -0.38 0.41 -0.53 0.00 0.00 176.83 176.59 1soh n THR 57 N -5.29 0.00 -0.02 2.23 -1.04 -1.26 -4.87 114.28 104.02 1soh n THR 57 Ca -0.07 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.05 61.65 1soh n THR 57 Cb 0.20 0.40 -0.11 0.00 -1.82 0.00 0.00 70.33 69.00 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 0.14 0.03 0.00 2.41 0.00 -1.91 -0.21 119.26 119.73 1soh h ALA 58 Ca -0.11 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1soh h ALA 58 Cb 1.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1soh h ALA 58 CO -0.02 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1soh h ALA 59 N 0.26 1.00 0.00 0.00 0.00 -1.91 -2.91 119.26 115.70 1soh h ALA 59 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1soh h ALA 59 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1soh h ALA 59 CO 0.05 0.00 -1.43 1.98 0.00 0.00 0.00 179.25 179.86 1soh h MET 60 N 0.00 0.00 -0.71 0.00 4.05 -1.89 -3.35 114.93 113.03 1soh h MET 60 Ca 0.00 0.00 -0.43 0.00 -0.28 0.00 0.00 59.70 58.99 1soh h MET 60 Cb 0.77 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 31.32 1soh h MET 60 CO 0.00 0.36 0.17 0.43 0.23 0.00 0.00 176.91 178.09 1soh n SER 61 N -2.95 4.40 -0.01 1.39 7.64 -0.09 -4.43 113.62 119.57 1soh n SER 61 Ca -0.10 -3.75 0.10 0.00 1.01 0.00 0.00 58.87 56.12 1soh n SER 61 Cb 0.88 -0.71 -0.14 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.01 0.00 -0.22 0.44 -1.04 -1.11 -4.37 114.28 106.98 1soh n THR 62 Ca 0.48 -0.32 0.31 0.00 -2.04 0.00 0.00 64.05 62.48 1soh n THR 62 Cb 1.07 0.35 0.69 0.00 -1.82 0.00 0.00 70.33 70.62 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 -0.64 -1.42 0.05 -1.84 0.50 116.97 113.62 1soh h TYR 63 Ca 0.00 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.96 1soh h TYR 63 Cb 0.78 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 1soh h TYR 63 CO 0.00 0.00 0.64 1.15 -1.05 0.00 0.00 178.16 178.90 1soh h THR 64 N 0.00 0.32 -0.01 -2.88 2.02 -1.94 1.04 112.91 111.46 1soh h THR 64 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1soh h THR 64 Cb 2.24 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1soh h THR 64 CO -0.01 0.00 -0.16 0.61 0.37 0.00 0.00 175.52 176.34 1soh n GLY 65 N -1.57 -0.20 0.00 2.16 0.00 0.17 -4.51 105.19 101.24 1soh n GLY 65 Ca 0.13 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 0.01 0.00 -0.50 -0.61 5.41 0.14 -4.36 119.36 119.45 1soh n ILE 66 Ca 0.05 -0.30 0.43 0.00 1.00 0.00 0.00 62.75 63.93 1soh n ILE 66 Cb 0.24 0.92 0.77 0.00 -0.71 0.00 0.00 39.64 40.85 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 0.07 0.00 1.39 3.57 0.61 0.92 116.94 123.50 1soh h PHE 67 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1soh h PHE 67 Cb 0.21 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1soh h PHE 67 CO 0.00 -0.02 -1.62 2.41 -2.23 0.00 0.00 178.31 176.85 1soh n THR 68 N -4.14 0.20 0.05 4.41 -1.04 -1.26 -4.33 114.28 108.17 1soh n THR 68 Ca 0.35 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1soh n THR 68 Cb 1.58 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 70.05 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 0.59 0.33 8.00 3.58 -0.52 0.29 116.42 128.69 1soh h ASP 69 Ca -0.08 -0.43 -0.10 0.00 0.42 0.00 0.00 57.03 56.84 1soh h ASP 69 Cb 0.86 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1soh h ASP 69 CO 0.00 1.21 -0.41 -0.61 -2.88 0.00 0.00 179.24 176.55 1soh h GLN 70 N 0.29 0.11 0.13 0.28 -0.00 0.39 -2.46 115.11 113.86 1soh h GLN 70 Ca -0.06 -0.05 -0.35 0.00 -0.00 0.00 0.00 58.65 58.18 1soh h GLN 70 Cb 1.48 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.94 1soh h GLN 70 CO 0.15 0.51 -1.86 0.28 0.00 0.00 0.00 178.83 177.91 1soh h VAL 71 N 0.10 0.78 0.00 2.39 2.07 -1.72 -3.31 116.25 116.55 1soh h VAL 71 Ca 0.01 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.06 1soh h VAL 71 Cb 0.78 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1soh h VAL 71 CO 0.06 0.85 -0.02 -0.07 0.02 0.00 0.00 177.57 178.41 1soh h LEU 72 N 0.08 0.00 -0.09 2.57 3.38 -0.39 -0.52 115.31 120.34 1soh h LEU 72 Ca -0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 1soh h LEU 72 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1soh h LEU 72 CO 0.12 0.02 -0.37 0.28 0.09 0.00 0.00 178.44 178.58 1soh h SER 73 N 0.00 0.00 -0.38 -0.43 0.02 -1.57 -3.23 113.55 107.97 1soh h SER 73 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1soh h SER 73 Cb 0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1soh h SER 73 CO 0.00 0.37 0.26 0.58 -1.14 0.00 0.00 176.83 176.90 1soh h VAL 74 N 0.00 0.96 -0.20 2.27 2.07 -1.17 0.40 116.25 120.58 1soh h VAL 74 Ca -0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1soh h VAL 74 Cb 1.25 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1soh h VAL 74 CO 0.05 0.05 0.24 0.25 0.02 0.00 0.00 177.57 178.18 1soh h LEU 75 N 0.28 0.00 -6.06 2.57 5.85 -1.63 -3.39 115.31 112.92 1soh h LEU 75 Ca 0.17 0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.15 1soh h LEU 75 Cb 0.31 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.09 1soh h LEU 75 CO -0.03 0.00 0.37 -0.75 -0.34 0.00 0.00 178.44 177.69 1soh s LYS 76 N -4.57 0.07 0.00 1.25 2.20 0.10 -4.97 119.74 113.82 1soh s LYS 76 Ca -0.05 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1soh s LYS 76 Cb 0.15 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1soh s LYS 76 CO 0.52 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.87 1soh n GLY 77 N 5.05 1.00 2.65 5.54 0.00 -1.17 -4.68 105.19 113.58 1soh n GLY 77 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.63 -2.68 0.00 1.61 2.13 -1.03 -4.95 120.64 115.10 1soh n GLU 78 Ca 0.00 0.23 0.14 0.00 0.66 0.00 0.00 57.16 58.18 1soh n GLU 78 Cb 0.00 -4.78 0.44 0.00 0.27 0.00 0.00 31.44 27.38 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81