#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 -3.15 116.94 109.30 1soh h PHE 14 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 1soh h PHE 14 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1soh h PHE 14 CO 0.00 0.45 -0.93 1.37 -1.61 0.00 0.00 178.31 177.59 1soh h LEU 15 N 0.00 0.00 -1.12 1.54 -0.00 -2.06 -3.29 115.31 110.38 1soh h LEU 15 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 1soh h LEU 15 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1soh h LEU 15 CO 0.06 0.66 -0.42 0.74 -0.00 0.00 0.00 178.44 179.48 1soh h THR 16 N 0.00 1.19 0.27 0.15 2.02 -1.98 -2.38 112.91 112.19 1soh h THR 16 Ca -0.07 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1soh h THR 16 Cb 1.56 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1soh h THR 16 CO 0.07 0.41 -0.13 0.06 0.37 0.00 0.00 175.52 176.30 1soh h GLN 17 N 0.00 -0.35 -0.45 6.66 3.07 -1.62 -2.56 115.11 119.87 1soh h GLN 17 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.74 1soh h GLN 17 Cb 0.79 0.08 -0.02 0.00 0.08 0.00 0.00 27.48 28.41 1soh h GLN 17 CO 0.05 -0.16 0.19 0.28 0.09 0.00 0.00 178.83 179.29 1soh h VAL 18 N -0.48 1.16 -0.26 1.86 2.07 -1.68 0.11 116.25 119.03 1soh h VAL 18 Ca -0.04 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.06 1soh h VAL 18 Cb 0.36 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1soh h VAL 18 CO 0.06 0.20 0.29 0.11 0.02 0.00 0.00 177.57 178.24 1soh h LYS 19 N 0.63 0.00 0.00 1.57 1.57 -1.04 1.26 116.57 120.56 1soh h LYS 19 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1soh h LYS 19 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1soh h LYS 19 CO -0.02 0.00 -0.29 0.93 -0.57 0.00 0.00 179.45 179.51 1soh h GLU 20 N 0.00 0.00 0.00 3.15 4.39 -0.63 -2.73 114.58 118.76 1soh h GLU 20 Ca 0.12 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.57 1soh h GLU 20 Cb 0.70 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 1soh h GLU 20 CO -0.00 0.29 -1.67 0.43 -1.16 0.00 0.00 179.01 176.90 1soh n SER 21 N -3.21 1.91 0.32 1.42 7.64 0.30 -2.59 113.62 119.42 1soh n SER 21 Ca 0.02 0.39 0.21 0.00 1.01 0.00 0.00 58.87 60.50 1soh n SER 21 Cb 0.61 -0.84 1.10 0.00 -1.01 0.00 0.00 64.21 64.07 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 0.00 -3.43 8.10 0.95 0.11 115.31 120.04 1soh h LEU 22 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.60 1soh h LEU 22 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 1soh h LEU 22 CO -0.23 0.00 -1.01 -1.54 -4.11 0.00 0.00 178.44 171.54 1soh n SER 23 N -2.95 0.86 0.30 0.17 3.41 -1.03 -4.37 113.62 110.01 1soh n SER 23 Ca -0.03 -0.67 0.20 0.00 -0.26 0.00 0.00 58.87 58.11 1soh n SER 23 Cb 0.10 1.19 1.05 0.00 -0.26 0.00 0.00 64.21 66.28 1soh n SER 23 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1soh h SER 24 N 0.00 0.00 0.00 4.04 0.87 -0.51 0.26 113.55 118.21 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 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1soh h SER 24 CO 0.00 0.00 -1.31 0.00 -0.53 0.00 0.00 176.83 174.99 1soh n TYR 25 N -2.94 0.00 0.04 2.24 4.19 -1.24 -3.70 117.16 115.75 1soh n TYR 25 Ca -0.02 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.21 1soh n TYR 25 Cb 0.10 -0.16 -0.07 0.00 0.49 0.00 0.00 39.34 39.70 1soh n TYR 25 CO 0.00 0.00 0.00 1.87 0.91 0.00 0.00 176.86 179.64 1soh n TRP 26 N -1.74 0.96 0.15 2.98 -0.00 0.29 -3.32 117.44 116.78 1soh n TRP 26 Ca 0.01 0.31 0.08 0.00 -0.00 0.00 0.00 57.50 57.91 1soh n TRP 26 Cb 0.40 -1.06 0.07 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 0.04 5.87 4.81 -0.77 -3.31 114.58 121.22 1soh h GLU 27 Ca -0.14 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1soh h GLU 27 Cb 1.49 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.88 1soh h GLU 27 CO 0.04 0.16 -0.40 1.03 -0.73 0.00 0.00 179.01 179.11 1soh h SER 28 N 0.00 0.28 -0.81 1.04 0.87 -1.66 -2.51 113.55 110.75 1soh h SER 28 Ca -0.02 -0.88 0.24 0.00 -1.23 0.00 0.00 61.79 59.89 1soh h SER 28 Cb 1.16 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1soh h SER 28 CO 0.02 1.13 0.64 0.00 -0.53 0.00 0.00 176.83 178.09 1soh h ALA 29 N 0.15 2.71 0.00 6.23 0.00 -1.66 0.90 119.26 127.58 1soh h ALA 29 Ca -0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1soh h ALA 29 Cb 1.23 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1soh h ALA 29 CO 0.08 -1.05 -1.33 -0.22 0.00 0.00 0.00 179.25 176.72 1soh h LYS 30 N 0.00 0.00 -0.23 0.00 3.64 -1.64 -3.22 116.57 115.13 1soh h LYS 30 Ca 0.39 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1soh h LYS 30 Cb 1.66 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1soh h LYS 30 CO -0.00 0.76 -0.00 1.15 -2.27 0.00 0.00 179.45 179.09 1soh h THR 31 N 0.00 1.14 -0.56 1.00 2.02 0.13 -1.51 112.91 115.14 1soh h THR 31 Ca -0.14 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1soh h THR 31 Cb 1.89 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1soh h THR 31 CO 0.11 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.19 1soh n ALA 32 N -2.49 3.84 -0.09 6.16 0.00 -0.67 -4.28 120.51 122.99 1soh n ALA 32 Ca 0.00 -1.96 -0.14 0.00 0.00 0.00 0.00 53.44 51.34 1soh n ALA 32 Cb 0.20 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 0.55 1.70 0.28 0.00 0.00 -0.58 -4.19 120.51 118.27 1soh n ALA 33 Ca 0.28 -0.73 0.16 0.00 0.00 0.00 0.00 53.44 53.15 1soh n ALA 33 Cb 1.18 0.16 0.73 0.00 0.00 0.00 0.00 19.45 21.53 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 -0.23 0.00 0.25 0.00 4.20 -1.71 -0.75 115.11 116.88 1soh h GLN 34 Ca -0.41 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 1soh h GLN 34 Cb 1.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1soh h GLN 34 CO -0.14 0.05 -0.12 -0.97 -0.67 0.00 0.00 178.83 176.98 1soh h ASN 35 N 0.00 -0.29 -0.70 1.46 -1.24 -1.78 -2.87 115.58 110.16 1soh h ASN 35 Ca -0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1soh h ASN 35 Cb 0.45 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.55 1soh h ASN 35 CO 0.01 0.18 0.38 -0.07 -1.29 0.00 0.00 177.43 176.64 1soh h LEU 36 N -1.09 0.88 -1.26 0.34 3.38 -1.72 -1.38 115.31 114.47 1soh h LEU 36 Ca -0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1soh h LEU 36 Cb 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1soh h LEU 36 CO 0.06 0.72 0.00 1.88 0.09 0.00 0.00 178.44 181.19 1soh h TYR 37 N 0.97 0.00 0.00 1.13 -1.99 -1.26 -0.98 116.97 114.84 1soh h TYR 37 Ca 0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.98 1soh h TYR 37 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.77 1soh h TYR 37 CO -0.00 0.00 -0.59 1.49 -0.00 0.00 0.00 178.16 179.06 1soh h GLU 38 N 0.00 0.00 -0.52 4.88 4.81 -1.01 0.64 114.58 123.38 1soh h GLU 38 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1soh h GLU 38 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1soh h GLU 38 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1soh n LYS 39 N -2.66 3.37 0.00 1.92 4.76 -0.38 -4.71 118.16 120.46 1soh n LYS 39 Ca 0.02 -2.69 0.00 0.00 -2.87 0.00 0.00 58.31 52.77 1soh n LYS 39 Cb 0.52 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1soh n LYS 39 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1soh n THR 40 N 0.73 0.00 -2.53 -0.18 -2.24 -1.16 -5.00 114.28 103.90 1soh n THR 40 Ca 0.22 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1soh n THR 40 Cb 0.78 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.16 -1.68 -3.65 4.78 9.36 0.22 -4.88 117.16 121.14 1soh n TYR 41 Ca 0.00 0.03 -0.08 0.00 3.32 0.00 0.00 57.90 61.17 1soh n TYR 41 Cb 0.00 -1.98 -0.08 0.00 -0.63 0.00 0.00 39.34 36.65 1soh n TYR 41 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1soh s LEU 42 N -5.39 -0.77 -0.39 2.98 1.02 -1.26 -5.05 118.68 109.82 1soh s LEU 42 Ca 0.02 1.39 -0.06 0.00 0.02 0.00 0.00 54.13 55.50 1soh s LEU 42 Cb -0.01 2.18 -0.17 0.00 0.02 0.00 0.00 46.19 48.21 1soh s LEU 42 CO 0.03 -0.23 3.33 -0.81 0.02 0.00 0.00 176.35 178.69 1soh n PRO 43 N 4.26 2.45 -1.48 1.29 -0.04 -1.26 -4.62 135.00 135.60 1soh n PRO 43 Ca -0.20 -1.51 -0.17 0.00 -0.04 0.00 0.00 63.50 61.58 1soh n PRO 43 Cb 0.58 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 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 2.38 -0.25 0.14 0.55 0.00 -1.26 -4.83 120.51 117.24 1soh n ALA 44 Ca 0.50 0.27 -0.00 0.00 0.00 0.00 0.00 53.44 54.21 1soh n ALA 44 Cb 0.72 -1.92 0.26 0.00 0.00 0.00 0.00 19.45 18.52 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 0.00 1.33 0.00 0.00 3.04 -1.93 0.36 116.25 119.05 1soh h VAL 45 Ca -0.34 -1.58 -0.02 0.00 -1.01 0.00 0.00 66.70 63.75 1soh h VAL 45 Cb 1.26 1.81 -0.00 0.00 -2.01 0.00 0.00 31.29 32.35 1soh h VAL 45 CO 0.50 0.46 -0.10 0.44 -1.01 0.00 0.00 177.57 177.86 1soh h ASP 46 N 0.07 0.00 -0.09 3.17 5.19 -1.93 -2.17 116.42 120.66 1soh h ASP 46 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1soh h ASP 46 Cb 0.83 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.19 1soh h ASP 46 CO 0.06 0.10 -0.68 -0.62 -3.12 0.00 0.00 179.24 174.97 1soh n GLU 47 N -3.14 1.41 0.09 3.56 4.71 -0.95 -4.88 120.64 121.45 1soh n GLU 47 Ca 0.03 -3.09 0.00 0.00 -0.01 0.00 0.00 57.16 54.09 1soh n GLU 47 Cb 0.52 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.66 1soh n GLU 47 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1soh n LYS 48 N -0.67 0.00 -2.41 3.49 4.81 0.12 -4.92 118.16 118.57 1soh n LYS 48 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.52 1soh n LYS 48 Cb 0.83 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.88 1soh n LYS 48 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1soh n LEU 49 N -3.05 -0.89 -1.93 3.14 0.00 -0.82 0.92 117.00 114.37 1soh n LEU 49 Ca 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 56.01 56.12 1soh n LEU 49 Cb 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 43.42 41.55 1soh n LEU 49 CO 0.00 -0.11 -0.08 -1.14 0.00 0.00 0.00 177.39 176.05 1soh n ARG 50 N -2.70 -2.41 -0.00 1.96 0.63 -1.26 -4.89 116.66 107.99 1soh n ARG 50 Ca -0.11 0.66 0.04 0.00 -0.92 0.00 0.00 57.85 57.51 1soh n ARG 50 Cb 0.58 -4.95 -0.06 0.00 0.45 0.00 0.00 32.46 28.48 1soh n ARG 50 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1soh n ASP 51 N -1.00 2.94 -1.38 6.15 -0.08 0.26 -4.42 116.55 119.02 1soh n ASP 51 Ca -0.12 -0.08 0.05 0.00 -1.51 0.00 0.00 54.79 53.13 1soh n ASP 51 Cb 0.60 1.30 0.26 0.00 2.34 0.00 0.00 41.12 45.63 1soh n ASP 51 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1soh n LEU 52 N -1.69 4.01 0.00 -2.67 4.77 -1.24 -4.21 117.00 115.97 1soh n LEU 52 Ca -0.01 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1soh n LEU 52 Cb 0.19 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1soh n LEU 52 CO 0.16 0.50 -0.38 0.00 -1.33 0.00 0.00 177.39 176.33 1soh n TYR 53 N 0.42 0.00 -3.45 -1.77 9.36 -1.26 -5.03 117.16 115.42 1soh n TYR 53 Ca 0.18 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.22 1soh n TYR 53 Cb 0.85 0.11 0.07 0.00 -0.63 0.00 0.00 39.34 39.74 1soh n TYR 53 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1soh n SER 54 N -2.84 -2.85 -1.64 2.98 7.64 -1.26 -1.36 113.62 114.29 1soh n SER 54 Ca 0.00 -0.69 -0.16 0.00 1.01 0.00 0.00 58.87 59.03 1soh n SER 54 Cb 0.38 -4.90 -0.06 0.00 -1.01 0.00 0.00 64.21 58.62 1soh n SER 54 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1soh n LYS 55 N -3.99 -1.47 -0.05 1.43 3.00 -1.26 -4.83 118.16 110.99 1soh n LYS 55 Ca -0.24 0.93 -0.08 0.00 -0.00 0.00 0.00 58.31 58.91 1soh n LYS 55 Cb 0.66 -5.29 -0.02 0.00 0.00 0.00 0.00 35.03 30.38 1soh n LYS 55 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1soh h SER 56 N 0.00 -0.23 0.00 3.14 0.87 -1.62 -3.37 113.55 112.34 1soh h SER 56 Ca -0.34 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1soh h SER 56 Cb 1.10 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.17 1soh h SER 56 CO 0.48 -0.09 -0.39 0.41 -0.53 0.00 0.00 176.83 176.72 1soh n THR 57 N -5.22 0.00 0.12 2.23 -1.04 -1.26 -4.86 114.28 104.24 1soh n THR 57 Ca -0.02 -0.10 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 1soh n THR 57 Cb 0.15 0.40 -0.15 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.10 0.00 0.00 2.41 0.00 -1.94 -2.72 119.26 117.11 1soh h ALA 58 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1soh h ALA 58 Cb 1.33 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1soh h ALA 58 CO -0.01 0.87 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1soh h ALA 59 N 0.31 1.00 0.00 0.00 0.00 -1.90 -3.12 119.26 115.54 1soh h ALA 59 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1soh h ALA 59 Cb 2.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1soh h ALA 59 CO 0.23 0.00 -1.25 1.98 0.00 0.00 0.00 179.25 180.21 1soh h MET 60 N 0.00 0.00 -0.76 0.00 4.05 -1.88 -3.33 114.93 113.00 1soh h MET 60 Ca 0.00 0.00 -0.45 0.00 -0.28 0.00 0.00 59.70 58.97 1soh h MET 60 Cb 0.90 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 31.45 1soh h MET 60 CO 0.00 0.63 0.30 0.43 0.23 0.00 0.00 176.91 178.51 1soh n SER 61 N -3.15 4.41 -0.00 1.39 7.64 -1.03 -4.36 113.62 118.52 1soh n SER 61 Ca -0.07 -3.73 0.08 0.00 1.01 0.00 0.00 58.87 56.16 1soh n SER 61 Cb 0.93 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.04 0.00 -0.25 0.44 -1.04 -1.18 -4.44 114.28 106.77 1soh n THR 62 Ca 0.50 -0.27 0.32 0.00 -2.04 0.00 0.00 64.05 62.57 1soh n THR 62 Cb 1.15 0.50 0.70 0.00 -1.82 0.00 0.00 70.33 70.86 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 -0.63 -1.42 -1.99 -1.82 0.60 116.97 111.71 1soh h TYR 63 Ca 0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 1soh h TYR 63 Cb 0.60 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.30 1soh h TYR 63 CO 0.00 0.00 0.60 1.15 -0.00 0.00 0.00 178.16 179.91 1soh h THR 64 N 0.00 0.38 -0.03 -2.88 2.02 -1.93 0.72 112.91 111.19 1soh h THR 64 Ca 0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.68 1soh h THR 64 Cb 2.26 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 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 0.02 0.00 2.16 0.00 0.21 -4.59 105.19 101.41 1soh n GLY 65 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 0.04 0.00 -0.48 -0.61 5.41 0.65 -4.40 119.36 119.98 1soh n ILE 66 Ca 0.02 -0.39 0.42 0.00 1.00 0.00 0.00 62.75 63.80 1soh n ILE 66 Cb 0.14 1.00 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 0.01 0.04 0.00 1.39 3.57 0.03 0.94 116.94 122.93 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 0.11 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1soh h PHE 67 CO 0.00 -0.01 -1.60 2.41 -2.23 0.00 0.00 178.31 176.88 1soh n THR 68 N -4.12 0.20 0.05 4.41 -1.04 -1.26 -4.35 114.28 108.17 1soh n THR 68 Ca 0.33 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1soh n THR 68 Cb 1.54 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 70.00 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 0.12 8.00 1.82 -0.62 0.44 116.42 126.77 1soh h ASP 69 Ca -0.08 -0.43 -0.09 0.00 -0.39 0.00 0.00 57.03 56.04 1soh h ASP 69 Cb 0.85 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.67 1soh h ASP 69 CO 0.00 1.21 -0.29 -0.61 -1.61 0.00 0.00 179.24 177.95 1soh h GLN 70 N 0.29 0.28 0.18 0.28 4.15 0.46 -1.97 115.11 118.78 1soh h GLN 70 Ca -0.06 -0.10 -0.30 0.00 0.77 0.00 0.00 58.65 58.96 1soh h GLN 70 Cb 1.48 -0.02 0.02 0.00 0.21 0.00 0.00 27.48 29.17 1soh h GLN 70 CO 0.15 0.55 -1.42 0.28 -1.93 0.00 0.00 178.83 176.46 1soh h VAL 71 N 0.24 1.16 0.00 2.39 2.07 -1.72 -3.25 116.25 117.14 1soh h VAL 71 Ca 0.04 -2.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.01 1soh h VAL 71 Cb 0.64 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1soh h VAL 71 CO 0.05 0.78 -0.02 -0.07 0.02 0.00 0.00 177.57 178.33 1soh h LEU 72 N -0.07 0.00 -0.30 2.57 4.07 -0.83 -0.40 115.31 120.35 1soh h LEU 72 Ca -0.27 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 1soh h LEU 72 Cb 1.95 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.68 1soh h LEU 72 CO 0.17 0.02 -0.37 0.77 -1.08 0.00 0.00 178.44 177.95 1soh h SER 73 N 0.00 0.00 -0.23 -0.43 4.64 -1.44 -3.18 113.55 112.91 1soh h SER 73 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1soh h SER 73 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1soh h SER 73 CO 0.00 0.37 0.16 0.58 -0.87 0.00 0.00 176.83 177.07 1soh h VAL 74 N 0.00 0.94 -0.13 0.95 2.07 -1.09 0.38 116.25 119.37 1soh h VAL 74 Ca -0.00 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1soh h VAL 74 Cb 1.17 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1soh h VAL 74 CO 0.05 0.02 0.20 -0.07 0.02 0.00 0.00 177.57 177.79 1soh h LEU 75 N 0.11 0.00 -6.12 2.57 3.38 -1.63 -3.38 115.31 110.24 1soh h LEU 75 Ca 0.10 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.31 1soh h LEU 75 Cb 0.28 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.80 1soh h LEU 75 CO -0.01 0.00 0.29 -0.75 0.09 0.00 0.00 178.44 178.05 1soh s LYS 76 N -4.45 0.14 0.00 1.13 2.20 0.11 -4.96 119.74 113.91 1soh s LYS 76 Ca -0.04 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1soh s LYS 76 Cb 0.14 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1soh s LYS 76 CO 0.47 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.77 1soh n GLY 77 N 5.13 0.96 2.66 5.54 0.00 -1.20 -4.67 105.19 113.61 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 -0.68 -2.67 0.00 1.61 2.13 -1.15 -4.96 120.64 114.92 1soh n GLU 78 Ca 0.00 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.17 1soh n GLU 78 Cb 0.00 -4.78 0.12 0.00 0.27 0.00 0.00 31.44 27.06 1soh n GLU 78 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11