#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 3.01 -1.26 -4.19 117.46 119.84 1soh n PHE 14 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1soh n PHE 14 Cb 0.00 -0.49 -0.10 0.00 -0.01 0.00 0.00 39.48 38.88 1soh n PHE 14 CO 0.00 0.00 0.00 1.37 1.01 0.00 0.00 176.76 179.14 1soh h LEU 15 N 0.00 0.00 -0.49 4.37 -0.00 -2.06 -3.31 115.31 113.82 1soh h LEU 15 Ca -0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.46 1soh h LEU 15 Cb 1.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.15 1soh h LEU 15 CO -0.02 0.85 -0.66 0.74 -0.00 0.00 0.00 178.44 179.34 1soh h THR 16 N 0.00 1.33 0.09 0.15 2.02 -1.99 -2.83 112.91 111.69 1soh h THR 16 Ca -0.14 -2.38 -0.00 0.00 0.77 0.00 0.00 66.41 64.66 1soh h THR 16 Cb 1.76 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 70.51 1soh h THR 16 CO 0.09 0.65 -0.05 0.06 0.37 0.00 0.00 175.52 176.64 1soh h GLN 17 N 0.00 -0.12 -0.50 6.66 3.07 -1.73 -2.50 115.11 119.99 1soh h GLN 17 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1soh h GLN 17 Cb 1.28 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.84 1soh h GLN 17 CO 0.09 0.03 0.21 0.28 0.09 0.00 0.00 178.83 179.52 1soh h VAL 18 N -0.25 1.18 -0.27 1.86 2.07 -1.66 -0.02 116.25 119.17 1soh h VAL 18 Ca -0.01 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1soh h VAL 18 Cb 0.20 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1soh h VAL 18 CO 0.02 0.22 0.27 0.50 0.02 0.00 0.00 177.57 178.60 1soh h LYS 19 N 0.70 0.00 0.00 1.57 3.64 -1.19 1.37 116.57 122.66 1soh h LYS 19 Ca 0.17 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1soh h LYS 19 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1soh h LYS 19 CO -0.02 0.00 -0.23 0.93 -2.27 0.00 0.00 179.45 177.86 1soh h GLU 20 N 0.00 0.00 0.00 1.90 4.39 -0.64 -2.60 114.58 117.63 1soh h GLU 20 Ca 0.13 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.60 1soh h GLU 20 Cb 0.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1soh h GLU 20 CO -0.00 0.23 -1.55 0.43 -1.16 0.00 0.00 179.01 176.96 1soh n SER 21 N -3.18 1.91 0.28 1.42 7.64 0.29 -2.16 113.62 119.82 1soh n SER 21 Ca 0.03 0.40 0.19 0.00 1.01 0.00 0.00 58.87 60.50 1soh n SER 21 Cb 0.60 -0.84 1.00 0.00 -1.01 0.00 0.00 64.21 63.95 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 -0.36 -3.43 8.10 0.12 -0.12 115.31 118.62 1soh h LEU 22 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.65 1soh h LEU 22 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.44 1soh h LEU 22 CO -0.21 0.00 -0.35 -0.24 -4.11 0.00 0.00 178.44 173.54 1soh n SER 23 N -2.80 0.83 0.14 0.17 2.88 -0.98 -4.49 113.62 109.37 1soh n SER 23 Ca -0.02 -0.92 0.11 0.00 -1.33 0.00 0.00 58.87 56.71 1soh n SER 23 Cb 0.07 0.75 0.52 0.00 -0.75 0.00 0.00 64.21 64.80 1soh n SER 23 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1soh n SER 24 N -0.77 0.62 -0.00 -3.46 7.64 -0.06 -0.84 113.62 116.75 1soh n SER 24 Ca 0.03 0.70 0.07 0.00 1.01 0.00 0.00 58.87 60.68 1soh n SER 24 Cb 0.18 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.48 1soh n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1soh n TYR 25 N -2.23 0.00 -0.01 1.43 0.18 -1.25 -3.66 117.16 111.61 1soh n TYR 25 Ca 0.01 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.76 1soh n TYR 25 Cb 0.16 -0.03 -0.12 0.00 -0.38 0.00 0.00 39.34 38.96 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 -2.08 0.00 0.00 176.86 176.65 1soh n TRP 26 N -1.43 0.67 0.13 -3.48 -0.00 -0.48 -3.14 117.44 109.71 1soh n TRP 26 Ca 0.02 0.23 0.10 0.00 -0.00 0.00 0.00 57.50 57.85 1soh n TRP 26 Cb 0.26 -1.03 0.04 0.00 -0.00 0.00 0.00 31.31 30.57 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 0.15 5.87 4.57 -1.18 -3.33 114.58 120.66 1soh h GLU 27 Ca -0.26 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.71 1soh h GLU 27 Cb 1.78 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.39 1soh h GLU 27 CO 0.04 0.07 -0.95 1.03 -1.18 0.00 0.00 179.01 178.02 1soh h SER 28 N 0.00 0.48 -0.67 1.04 0.87 -1.69 -2.30 113.55 111.27 1soh h SER 28 Ca -0.02 -0.94 0.20 0.00 -1.23 0.00 0.00 61.79 59.80 1soh h SER 28 Cb 1.10 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 1soh h SER 28 CO 0.01 1.45 0.54 0.00 -0.53 0.00 0.00 176.83 178.30 1soh h ALA 29 N 0.06 2.56 0.00 6.23 0.00 -1.67 0.58 119.26 127.02 1soh h ALA 29 Ca -0.18 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1soh h ALA 29 Cb 1.70 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1soh h ALA 29 CO 0.15 -0.89 -1.57 1.17 0.00 0.00 0.00 179.25 178.11 1soh n LYS 30 N -4.10 0.63 0.14 0.00 4.81 -1.23 -2.63 118.16 115.77 1soh n LYS 30 Ca 0.13 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1soh n LYS 30 Cb 0.79 -1.78 0.12 0.00 0.02 0.00 0.00 35.03 34.18 1soh n LYS 30 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1soh h THR 31 N 0.00 1.20 -0.18 3.15 2.02 0.51 -3.21 112.91 116.40 1soh h THR 31 Ca -0.22 -2.26 -0.02 0.00 0.77 0.00 0.00 66.41 64.68 1soh h THR 31 Cb 1.74 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 1soh h THR 31 CO 0.05 0.59 -0.03 0.00 0.37 0.00 0.00 175.52 176.50 1soh n ALA 32 N -2.32 2.96 -0.13 6.16 0.00 0.13 -4.65 120.51 122.66 1soh n ALA 32 Ca 0.00 -2.57 -0.27 0.00 0.00 0.00 0.00 53.44 50.60 1soh n ALA 32 Cb 0.68 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.92 1.09 0.32 0.00 0.00 -1.08 -3.76 120.51 116.17 1soh n ALA 33 Ca 0.21 -0.97 0.22 0.00 0.00 0.00 0.00 53.44 52.90 1soh n ALA 33 Cb 0.82 0.00 1.12 0.00 0.00 0.00 0.00 19.45 21.39 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 -1.00 0.00 0.00 0.00 5.75 -1.83 0.28 115.11 118.31 1soh h GLN 34 Ca -0.59 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.91 1soh h GLN 34 Cb 1.51 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.06 1soh h GLN 34 CO -0.36 0.00 -0.01 -0.97 -2.65 0.00 0.00 178.83 174.84 1soh h ASN 35 N 0.00 0.00 0.23 -0.69 -1.24 -1.83 -3.06 115.58 108.99 1soh h ASN 35 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1soh h ASN 35 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1soh h ASN 35 CO 0.00 0.39 -0.20 0.17 -1.29 0.00 0.00 177.43 176.51 1soh h LEU 36 N -0.78 0.00 -0.46 0.34 8.10 -1.62 -1.11 115.31 119.79 1soh h LEU 36 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1soh h LEU 36 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1soh h LEU 36 CO 0.00 0.20 0.00 0.00 -4.11 0.00 0.00 178.44 174.53 1soh n TYR 37 N -4.19 0.07 -0.02 0.17 9.36 0.96 -0.75 117.16 122.75 1soh n TYR 37 Ca -0.02 -0.03 0.02 0.00 3.32 0.00 0.00 57.90 61.18 1soh n TYR 37 Cb 0.26 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 38.89 1soh n TYR 37 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1soh n GLU 38 N -0.36 0.99 -1.55 2.98 1.02 -0.45 -4.03 120.64 119.25 1soh n GLU 38 Ca 0.17 -0.07 0.03 0.00 -0.02 0.00 0.00 57.16 57.26 1soh n GLU 38 Cb 0.19 -1.27 0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.06 0.11 0.00 3.49 4.01 -1.04 -4.57 118.16 118.10 1soh n LYS 39 Ca -0.07 -2.02 0.00 0.00 -0.51 0.00 0.00 58.31 55.71 1soh n LYS 39 Cb 0.48 -0.06 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 1soh n LYS 39 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1soh n THR 40 N 0.39 0.00 -1.53 -0.18 -1.04 -0.18 -4.90 114.28 106.84 1soh n THR 40 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.92 1soh n THR 40 Cb 1.10 -0.05 0.15 0.00 -1.82 0.00 0.00 70.33 69.71 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 -1.89 1.74 0.12 -1.42 9.36 0.07 -4.65 117.16 120.49 1soh n TYR 41 Ca 0.00 -1.90 0.00 0.00 3.32 0.00 0.00 57.90 59.32 1soh n TYR 41 Cb 0.00 -0.61 0.00 0.00 -0.63 0.00 0.00 39.34 38.10 1soh n TYR 41 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1soh n LEU 42 N -1.04 -0.73 -2.12 2.98 -0.00 -1.26 -4.85 117.00 109.98 1soh n LEU 42 Ca 0.40 0.43 -0.18 0.00 -0.00 0.00 0.00 56.01 56.66 1soh n LEU 42 Cb 1.03 0.84 -0.05 0.00 -0.00 0.00 0.00 43.42 45.24 1soh n LEU 42 CO 0.32 -0.56 1.43 -0.81 -0.00 0.00 0.00 177.39 177.78 1soh n PRO 43 N -3.22 2.01 0.00 1.96 -0.05 -1.26 -3.85 135.00 130.59 1soh n PRO 43 Ca 0.00 -1.62 0.00 0.00 -0.05 0.00 0.00 63.50 61.83 1soh n PRO 43 Cb 0.00 -1.85 0.00 0.00 -0.05 0.00 0.00 33.50 31.60 1soh n PRO 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1soh n ALA 44 N 1.13 1.24 0.04 0.55 0.00 -1.26 -4.76 120.51 117.44 1soh n ALA 44 Ca 0.38 -0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1soh n ALA 44 Cb 0.63 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.50 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 1.02 1.11 0.00 0.00 3.04 -1.87 0.19 116.25 119.75 1soh h VAL 45 Ca 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 1soh h VAL 45 Cb 0.49 0.68 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1soh h VAL 45 CO 0.00 0.13 -0.13 0.44 -1.01 0.00 0.00 177.57 177.00 1soh h ASP 46 N 0.46 0.00 0.00 3.17 5.19 -1.91 -3.20 116.42 120.14 1soh h ASP 46 Ca 0.12 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.44 1soh h ASP 46 Cb 0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1soh h ASP 46 CO -0.02 0.13 -0.66 -0.33 -3.12 0.00 0.00 179.24 175.24 1soh h GLU 47 N 0.00 0.00 0.00 3.56 4.39 -1.10 -3.48 114.58 117.95 1soh h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1soh h GLU 47 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1soh h GLU 47 CO 0.02 0.49 0.00 0.36 -1.16 0.00 0.00 179.01 178.72 1soh n LYS 48 N -4.57 0.00 -1.18 2.33 2.85 0.34 -4.95 118.16 112.99 1soh n LYS 48 Ca -0.16 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.86 1soh n LYS 48 Cb 0.41 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 34.95 1soh n LYS 48 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1soh n LEU 49 N 0.00 6.68 0.00 -5.58 -0.00 -0.93 -4.15 117.00 113.02 1soh n LEU 49 Ca 0.00 -3.58 0.00 0.00 -0.00 0.00 0.00 56.01 52.43 1soh n LEU 49 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 1soh n LEU 49 CO 0.00 1.08 0.00 -2.11 -0.00 0.00 0.00 177.39 176.36 1soh n ARG 50 N -1.02 0.00 0.10 1.96 1.85 -1.26 -4.78 116.66 113.51 1soh n ARG 50 Ca 0.57 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 57.38 1soh n ARG 50 Cb 1.49 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 33.03 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 0.22 -0.33 2.89 3.32 -1.86 -2.70 116.42 117.96 1soh h ASP 51 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1soh h ASP 51 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1soh h ASP 51 CO 0.00 0.76 0.00 -0.11 -1.72 0.00 0.00 179.24 178.17 1soh n LEU 52 N -3.87 2.11 -0.09 1.55 7.94 -1.26 -3.79 117.00 119.60 1soh n LEU 52 Ca -0.02 -1.06 -0.12 0.00 -1.11 0.00 0.00 56.01 53.70 1soh n LEU 52 Cb 0.61 -0.30 -0.10 0.00 0.53 0.00 0.00 43.42 44.16 1soh n LEU 52 CO 0.44 0.45 -1.10 0.00 -1.11 0.00 0.00 177.39 176.08 1soh n TYR 53 N 0.47 0.00 -3.83 1.96 4.19 -1.03 -5.01 117.16 113.91 1soh n TYR 53 Ca 0.12 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 61.05 1soh n TYR 53 Cb 0.37 -0.75 0.04 0.00 0.49 0.00 0.00 39.34 39.49 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 -2.93 -5.01 -0.98 2.98 7.64 -1.18 -0.10 113.62 114.05 1soh n SER 54 Ca -0.32 -0.72 -0.13 0.00 1.01 0.00 0.00 58.87 58.71 1soh n SER 54 Cb 0.90 -4.18 -0.05 0.00 -1.01 0.00 0.00 64.21 59.86 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 -4.75 -1.67 0.32 1.43 5.02 -1.26 -4.86 118.16 112.40 1soh n LYS 55 Ca 0.02 0.95 -0.17 0.00 -2.02 0.00 0.00 58.31 57.09 1soh n LYS 55 Cb 0.54 -5.38 -0.09 0.00 -0.02 0.00 0.00 35.03 30.09 1soh n LYS 55 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1soh h SER 56 N 0.00 -0.66 0.00 4.39 0.02 -0.89 -3.40 113.55 113.01 1soh h SER 56 Ca -0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1soh h SER 56 Cb 1.22 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.87 1soh h SER 56 CO 0.38 -0.44 -0.47 0.41 -1.14 0.00 0.00 176.83 175.57 1soh n THR 57 N -5.41 0.00 0.11 -2.27 -1.04 -1.26 -4.86 114.28 99.55 1soh n THR 57 Ca -0.13 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.55 1soh n THR 57 Cb 0.33 0.47 -0.15 0.00 -1.82 0.00 0.00 70.33 69.17 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 0.04 0.00 2.41 0.00 -1.88 -2.75 119.26 117.22 1soh h ALA 58 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1soh h ALA 58 Cb 1.39 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 1soh h ALA 58 CO 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 179.25 180.00 1soh h ALA 59 N 0.41 0.91 0.00 0.00 0.00 -1.89 -3.07 119.26 115.62 1soh h ALA 59 Ca -0.20 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1soh h ALA 59 Cb 2.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.79 1soh h ALA 59 CO 0.22 0.20 -0.86 0.52 0.00 0.00 0.00 179.25 179.33 1soh h MET 60 N 0.00 0.00 -0.72 0.00 2.86 -1.89 -3.32 114.93 111.86 1soh h MET 60 Ca -0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1soh h MET 60 Cb 1.05 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 32.41 1soh h MET 60 CO 0.02 0.46 -0.14 0.43 1.06 0.00 0.00 176.91 178.74 1soh n SER 61 N -3.11 5.03 -0.00 1.22 7.64 -1.04 -4.51 113.62 118.84 1soh n SER 61 Ca -0.02 -3.77 0.08 0.00 1.01 0.00 0.00 58.87 56.16 1soh n SER 61 Cb 0.79 -0.60 -0.11 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.88 0.00 -0.27 0.44 -1.04 -1.16 -4.47 114.28 106.90 1soh n THR 62 Ca 0.47 -0.27 0.33 0.00 -2.04 0.00 0.00 64.05 62.54 1soh n THR 62 Cb 0.91 0.48 0.70 0.00 -1.82 0.00 0.00 70.33 70.61 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 -1.99 -1.82 0.56 116.97 111.65 1soh h TYR 63 Ca 0.00 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.92 1soh h TYR 63 Cb 0.58 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.28 1soh h TYR 63 CO 0.00 0.00 0.63 1.15 -0.00 0.00 0.00 178.16 179.94 1soh h THR 64 N 0.00 0.34 -0.02 -2.88 2.02 -1.95 0.67 112.91 111.09 1soh h THR 64 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 1soh h THR 64 Cb 2.34 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1soh h THR 64 CO -0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.49 1soh n GLY 65 N -1.58 -0.50 0.00 2.16 0.00 0.19 -4.58 105.19 100.88 1soh n GLY 65 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.20 0.00 -0.49 -0.61 5.41 0.87 -4.38 119.36 120.36 1soh n ILE 66 Ca 0.03 -0.31 0.43 0.00 1.00 0.00 0.00 62.75 63.90 1soh n ILE 66 Cb 0.14 0.88 0.78 0.00 -0.71 0.00 0.00 39.64 40.73 1soh n ILE 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1soh h PHE 67 N 0.00 0.02 0.00 1.39 0.04 -0.10 1.01 116.94 119.30 1soh h PHE 67 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1soh h PHE 67 Cb 0.19 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1soh h PHE 67 CO 0.00 -0.00 -1.75 2.41 -0.60 0.00 0.00 178.31 178.37 1soh n THR 68 N -4.10 0.33 0.03 -1.55 -1.04 -1.26 -4.29 114.28 102.40 1soh n THR 68 Ca 0.34 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1soh n THR 68 Cb 1.57 -0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 69.93 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 0.67 0.50 8.00 1.82 -0.35 -0.32 116.42 126.74 1soh h ASP 69 Ca -0.13 -0.48 -0.05 0.00 -0.39 0.00 0.00 57.03 55.98 1soh h ASP 69 Cb 1.07 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 1soh h ASP 69 CO 0.01 1.26 -0.26 -0.61 -1.61 0.00 0.00 179.24 178.03 1soh h GLN 70 N 0.35 0.00 0.04 0.28 4.15 0.56 -1.39 115.11 119.10 1soh h GLN 70 Ca -0.06 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 1soh h GLN 70 Cb 1.45 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1soh h GLN 70 CO 0.15 0.26 -0.88 0.28 -1.93 0.00 0.00 178.83 176.71 1soh h VAL 71 N 0.00 1.26 0.00 2.39 2.07 -1.71 -3.24 116.25 117.02 1soh h VAL 71 Ca -0.00 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 1soh h VAL 71 Cb 0.58 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1soh h VAL 71 CO 0.03 0.54 -0.07 0.17 0.02 0.00 0.00 177.57 178.26 1soh h LEU 72 N -0.77 0.00 -0.39 2.57 8.10 -1.02 -1.09 115.31 122.71 1soh h LEU 72 Ca -0.21 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.64 1soh h LEU 72 Cb 1.36 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.56 1soh h LEU 72 CO -0.05 0.07 -0.62 0.28 -4.11 0.00 0.00 178.44 174.01 1soh h SER 73 N 0.00 0.00 -0.71 0.17 0.02 -1.37 -3.18 113.55 108.49 1soh h SER 73 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1soh h SER 73 Cb 0.22 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1soh h SER 73 CO 0.01 0.62 0.47 0.58 -1.14 0.00 0.00 176.83 177.37 1soh h VAL 74 N 0.00 1.18 0.00 2.27 2.07 -1.22 0.38 116.25 120.94 1soh h VAL 74 Ca -0.01 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1soh h VAL 74 Cb 1.30 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1soh h VAL 74 CO 0.08 0.18 -0.00 -0.07 0.02 0.00 0.00 177.57 177.78 1soh h LEU 75 N 0.97 0.00 -6.00 2.57 3.38 -1.59 -3.31 115.31 111.33 1soh h LEU 75 Ca 0.26 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.33 1soh h LEU 75 Cb -0.11 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.44 1soh h LEU 75 CO -0.06 0.00 -0.23 -0.75 0.09 0.00 0.00 178.44 177.50 1soh s LYS 76 N -4.11 0.49 0.00 1.13 2.20 0.10 -4.91 119.74 114.65 1soh s LYS 76 Ca -0.04 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 1soh s LYS 76 Cb 0.13 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.86 1soh s LYS 76 CO 0.43 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1soh n GLY 77 N 5.42 1.15 2.73 5.54 0.00 -1.09 -4.68 105.19 114.24 1soh n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.35 -2.66 0.00 1.61 2.13 -1.13 -4.93 120.64 115.31 1soh n GLU 78 Ca 0.00 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1soh n GLU 78 Cb 0.00 -4.78 0.00 0.00 0.27 0.00 0.00 31.44 26.93 1soh n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81