#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5j n PHE 14 N 0.00 -4.13 0.35 4.78 7.35 -1.26 -4.91 117.46 119.64 1i5j n PHE 14 Ca 0.00 1.22 -0.18 0.00 -0.76 0.00 0.00 57.45 57.73 1i5j n PHE 14 Cb 0.00 3.14 -0.09 0.00 0.35 0.00 0.00 39.48 42.89 1i5j n PHE 14 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1i5j h LEU 15 N 0.00 -0.72 -2.11 -2.13 8.10 -2.07 -2.47 115.31 113.91 1i5j h LEU 15 Ca 0.00 0.02 0.03 0.00 0.11 0.00 0.00 57.88 58.04 1i5j h LEU 15 Cb 0.00 0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1i5j h LEU 15 CO 0.00 -0.51 0.08 0.00 -4.11 0.00 0.00 178.44 173.89 1i5j h THR 16 N -0.86 0.82 -0.27 0.15 1.03 -2.01 -2.17 112.91 109.61 1i5j h THR 16 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.31 1i5j h THR 16 Cb 0.66 0.95 -0.01 0.00 -1.07 0.00 0.00 68.15 68.67 1i5j h THR 16 CO 0.14 0.00 0.15 -0.61 -0.01 0.00 0.00 175.52 175.19 1i5j h GLN 17 N 0.00 0.37 -0.71 0.00 -0.00 -1.80 -2.19 115.11 110.78 1i5j h GLN 17 Ca 0.04 -0.04 0.06 0.00 -0.00 0.00 0.00 58.65 58.71 1i5j h GLN 17 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.56 1i5j h GLN 17 CO -0.00 0.33 0.47 0.28 0.00 0.00 0.00 178.83 179.90 1i5j h VAL 18 N 0.32 1.02 0.71 2.39 2.07 -1.10 -0.52 116.25 121.14 1i5j h VAL 18 Ca 0.09 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1i5j h VAL 18 Cb 0.06 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1i5j h VAL 18 CO -0.02 0.14 -0.34 0.50 0.02 0.00 0.00 177.57 177.87 1i5j h LYS 19 N 0.74 -0.92 -0.04 1.57 3.64 -1.41 -1.03 116.57 119.11 1i5j h LYS 19 Ca 0.31 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1i5j h LYS 19 Cb 0.25 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1i5j h LYS 19 CO -0.10 -0.61 0.20 0.93 -2.27 0.00 0.00 179.45 177.60 1i5j h GLU 20 N -1.16 0.00 0.16 1.90 5.08 -1.20 0.14 114.58 119.51 1i5j h GLU 20 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1i5j h GLU 20 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1i5j h GLU 20 CO 0.16 0.00 -0.08 1.03 -1.00 0.00 0.00 179.01 179.12 1i5j h SER 21 N 0.00 -0.18 -0.28 1.42 0.87 -0.75 0.14 113.55 114.76 1i5j h SER 21 Ca 0.02 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1i5j h SER 21 Cb 0.43 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1i5j h SER 21 CO -0.00 0.36 0.00 0.25 -0.53 0.00 0.00 176.83 176.92 1i5j h LEU 22 N -1.00 0.57 -0.29 2.23 6.46 -0.54 -2.53 115.31 120.22 1i5j h LEU 22 Ca -0.02 -0.12 -0.20 0.00 -0.12 0.00 0.00 57.88 57.42 1i5j h LEU 22 Cb 0.38 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1i5j h LEU 22 CO 0.04 0.64 -0.78 0.28 -0.62 0.00 0.00 178.44 178.00 1i5j h SER 23 N 0.58 0.63 -0.68 1.25 0.02 -0.85 -3.15 113.55 111.34 1i5j h SER 23 Ca 0.12 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1i5j h SER 23 Cb 0.37 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1i5j h SER 23 CO 0.01 1.19 0.44 0.28 -1.14 0.00 0.00 176.83 177.61 1i5j h SER 24 N 0.35 0.81 -0.96 3.07 0.02 -0.59 0.92 113.55 117.16 1i5j h SER 24 Ca -0.05 -0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.01 1i5j h SER 24 Cb 1.38 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 1i5j h SER 24 CO 0.14 0.60 0.61 0.22 -1.14 0.00 0.00 176.83 177.26 1i5j h TYR 25 N 0.94 1.01 0.00 3.45 3.20 -1.42 -0.89 116.97 123.26 1i5j h TYR 25 Ca 0.25 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1i5j h TYR 25 Cb -0.08 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.88 1i5j h TYR 25 CO 0.00 0.37 -1.37 0.91 -1.64 0.00 0.00 178.16 176.43 1i5j n TRP 26 N -4.61 0.16 -0.29 -3.82 7.02 -0.61 -4.36 117.44 110.93 1i5j n TRP 26 Ca 0.19 0.05 0.05 0.00 -1.02 0.00 0.00 57.50 56.77 1i5j n TRP 26 Cb 0.43 -0.40 0.20 0.00 -2.42 0.00 0.00 31.31 29.12 1i5j n TRP 26 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1i5j h GLU 27 N 0.00 0.66 -0.92 -0.99 5.08 0.23 0.07 114.58 118.71 1i5j h GLU 27 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1i5j h GLU 27 Cb 0.79 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1i5j h GLU 27 CO 0.00 0.43 0.52 1.03 -1.00 0.00 0.00 179.01 179.99 1i5j h SER 28 N 0.68 1.13 -0.55 1.42 0.87 -1.74 0.32 113.55 115.68 1i5j h SER 28 Ca 0.44 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 1i5j h SER 28 Cb 0.55 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1i5j h SER 28 CO -0.32 0.90 0.25 0.00 -0.53 0.00 0.00 176.83 177.12 1i5j h ALA 29 N 1.29 1.32 0.00 6.23 0.00 -1.28 0.79 119.26 127.62 1i5j h ALA 29 Ca 0.32 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1i5j h ALA 29 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1i5j h ALA 29 CO -0.05 0.51 -0.47 -0.22 0.00 0.00 0.00 179.25 179.02 1i5j h LYS 30 N 0.84 0.00 0.37 0.00 3.11 -0.10 -2.18 116.57 118.61 1i5j h LYS 30 Ca 0.20 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.02 1i5j h LYS 30 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1i5j h LYS 30 CO -0.02 0.47 -0.18 1.15 -2.81 0.00 0.00 179.45 178.06 1i5j h THR 31 N 0.00 0.06 -0.02 1.00 2.02 0.10 -0.24 112.91 115.83 1i5j h THR 31 Ca -0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1i5j h THR 31 Cb 1.13 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1i5j h THR 31 CO 0.06 0.02 0.01 0.00 0.37 0.00 0.00 175.52 175.98 1i5j h ALA 32 N -1.08 1.72 0.00 6.16 0.00 -1.00 0.14 119.26 125.21 1i5j h ALA 32 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1i5j h ALA 32 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1i5j h ALA 32 CO 0.08 -0.02 -0.56 0.00 0.00 0.00 0.00 179.25 178.75 1i5j h ALA 33 N 1.99 0.64 0.03 0.00 0.00 -1.40 -3.12 119.26 117.39 1i5j h ALA 33 Ca 0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1i5j h ALA 33 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1i5j h ALA 33 CO -0.00 0.70 -0.31 1.96 0.00 0.00 0.00 179.25 181.60 1i5j h GLN 34 N 0.00 0.06 -0.02 0.00 1.08 0.10 -3.00 115.11 113.34 1i5j h GLN 34 Ca -0.01 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1i5j h GLN 34 Cb 1.43 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.84 1i5j h GLN 34 CO 0.07 1.05 -0.39 -0.97 -0.95 0.00 0.00 178.83 177.64 1i5j h ASN 35 N -0.87 -1.18 0.03 1.46 -0.73 -1.01 0.78 115.58 114.06 1i5j h ASN 35 Ca -0.07 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 1i5j h ASN 35 Cb 1.17 0.47 -0.00 0.00 0.27 0.00 0.00 38.32 40.22 1i5j h ASN 35 CO 0.01 -0.43 -0.02 0.25 -0.37 0.00 0.00 177.43 176.86 1i5j h LEU 36 N -0.53 0.00 0.00 0.34 6.46 -1.71 -2.55 115.31 117.32 1i5j h LEU 36 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1i5j h LEU 36 Cb 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1i5j h LEU 36 CO -0.31 0.02 0.00 -1.22 -0.62 0.00 0.00 178.44 176.31 1i5j n TYR 37 N -4.27 0.00 -1.88 1.25 4.02 0.10 -4.78 117.16 111.60 1i5j n TYR 37 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.82 1i5j n TYR 37 Cb 0.11 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.29 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1i5j n GLU 38 N -0.80 0.00 0.03 -0.72 -0.58 -0.22 -4.81 120.64 113.54 1i5j n GLU 38 Ca 0.00 -0.56 -0.14 0.00 -0.42 0.00 0.00 57.16 56.03 1i5j n GLU 38 Cb 0.00 0.35 -0.14 0.00 -0.57 0.00 0.00 31.44 31.08 1i5j n GLU 38 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1i5j h LYS 39 N 0.00 0.16 0.00 3.49 1.63 -1.23 -3.37 116.57 117.25 1i5j h LYS 39 Ca -0.32 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 1i5j h LYS 39 Cb 1.11 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1i5j h LYS 39 CO -0.16 0.95 0.00 2.41 -3.45 0.00 0.00 179.45 179.20 1i5j n THR 40 N -3.34 0.00 -0.04 1.00 -1.04 -1.18 -4.64 114.28 105.04 1i5j n THR 40 Ca -0.17 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.75 1i5j n THR 40 Cb 1.04 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.49 1i5j n THR 40 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1i5j h TYR 41 N 0.00 -0.97 -0.35 -1.42 3.20 -1.73 -3.39 116.97 112.32 1i5j h TYR 41 Ca 0.00 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.65 1i5j h TYR 41 Cb 0.00 0.44 -0.24 0.00 1.54 0.00 0.00 36.73 38.47 1i5j h TYR 41 CO 0.00 -0.30 -0.66 1.28 -1.64 0.00 0.00 178.16 176.84 1i5j n LEU 42 N -4.24 -0.62 0.19 2.82 4.77 -1.26 -4.94 117.00 113.73 1i5j n LEU 42 Ca -0.03 -3.51 0.07 0.00 -0.03 0.00 0.00 56.01 52.51 1i5j n LEU 42 Cb 0.21 0.18 0.31 0.00 -2.33 0.00 0.00 43.42 41.79 1i5j n LEU 42 CO 0.03 1.74 0.69 1.55 -1.33 0.00 0.00 177.39 180.07 1i5j h PRO 43 N 2.29 0.00 -1.12 3.23 0.13 -1.76 -3.47 132.00 131.30 1i5j h PRO 43 Ca -0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 1i5j h PRO 43 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1i5j h PRO 43 CO 0.12 0.32 -0.21 0.00 -0.23 0.00 0.00 178.00 178.00 1i5j n ALA 44 N -2.24 -0.24 -1.00 -0.56 0.00 -1.26 -4.86 120.51 110.35 1i5j n ALA 44 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1i5j n ALA 44 Cb 0.53 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1i5j n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i5j n VAL 45 N -3.86 0.00 -2.27 0.00 0.31 -1.26 -5.02 118.33 106.23 1i5j n VAL 45 Ca -0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.19 1i5j n VAL 45 Cb 0.54 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 1i5j n VAL 45 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1i5j n ASP 46 N -0.11 -1.47 0.00 4.52 9.92 -1.26 -3.73 116.55 124.42 1i5j n ASP 46 Ca 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 1i5j n ASP 46 Cb 0.00 -3.99 0.00 0.00 -0.64 0.00 0.00 41.12 36.49 1i5j n ASP 46 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1i5j n GLU 47 N 1.10 0.00 -0.55 -1.24 0.28 -1.26 -2.44 120.64 116.53 1i5j n GLU 47 Ca -0.26 0.00 0.44 0.00 -0.16 0.00 0.00 57.16 57.18 1i5j n GLU 47 Cb 0.41 0.00 0.72 0.00 1.43 0.00 0.00 31.44 33.99 1i5j n GLU 47 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1i5j n LYS 48 N 0.00 -0.02 -0.04 3.44 3.00 -1.26 0.12 118.16 123.40 1i5j n LYS 48 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 58.31 59.48 1i5j n LYS 48 Cb 0.00 -2.44 -0.10 0.00 0.00 0.00 0.00 35.03 32.48 1i5j n LYS 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1i5j n LEU 49 N -4.40 0.00 -2.13 3.14 4.77 -1.02 -4.51 117.00 112.86 1i5j n LEU 49 Ca 0.41 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.14 1i5j n LEU 49 Cb 1.70 0.16 0.10 0.00 -2.33 0.00 0.00 43.42 43.06 1i5j n LEU 49 CO 0.27 0.16 1.29 -1.14 -1.33 0.00 0.00 177.39 176.65 1i5j n ARG 50 N -2.23 2.26 0.00 3.23 0.63 0.34 -4.17 116.66 116.71 1i5j n ARG 50 Ca -0.12 -2.66 0.00 0.00 -0.92 0.00 0.00 57.85 54.15 1i5j n ARG 50 Cb 0.65 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1i5j n ASP 51 N -0.68 2.03 -0.29 6.15 9.92 0.10 -4.45 116.55 129.34 1i5j n ASP 51 Ca 0.52 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.84 1i5j n ASP 51 Cb 1.00 0.02 0.29 0.00 -0.64 0.00 0.00 41.12 41.79 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1i5j h LEU 52 N 0.00 0.82 0.00 0.64 8.10 -1.78 0.04 115.31 123.13 1i5j h LEU 52 Ca 0.00 0.02 -0.03 0.00 0.11 0.00 0.00 57.88 57.98 1i5j h LEU 52 Cb 0.50 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 1i5j h LEU 52 CO 0.00 0.49 -0.27 0.22 -4.11 0.00 0.00 178.44 174.77 1i5j h TYR 53 N 0.90 0.00 0.00 0.17 5.03 -1.87 -3.17 116.97 118.04 1i5j h TYR 53 Ca 0.41 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.72 1i5j h TYR 53 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.66 1i5j h TYR 53 CO -0.00 0.56 0.00 0.43 -1.32 0.00 0.00 178.16 177.83 1i5j n SER 54 N -4.65 0.80 0.00 -2.11 7.64 -1.17 -2.78 113.62 111.36 1i5j n SER 54 Ca -0.09 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1i5j n SER 54 Cb 0.31 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i5j n LYS 55 N 0.06 3.47 -0.39 1.43 3.00 -0.01 -3.84 118.16 121.88 1i5j n LYS 55 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 58.31 58.64 1i5j n LYS 55 Cb 0.20 -0.65 0.64 0.00 0.00 0.00 0.00 35.03 35.22 1i5j n LYS 55 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1i5j h SER 56 N 0.00 0.24 0.00 3.14 0.87 -1.48 -3.34 113.55 112.98 1i5j h SER 56 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1i5j h SER 56 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1i5j h SER 56 CO 0.00 -0.03 0.00 1.07 -0.53 0.00 0.00 176.83 177.34 1i5j n THR 57 N -4.48 0.00 -2.63 2.23 5.66 -1.26 -4.96 114.28 108.84 1i5j n THR 57 Ca 0.31 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.26 1i5j n THR 57 Cb 1.24 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 70.03 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i5j n ALA 58 N 0.00 -0.34 0.06 1.79 0.00 -1.25 -4.94 120.51 115.83 1i5j n ALA 58 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1i5j n ALA 58 Cb 0.00 -1.44 0.44 0.00 0.00 0.00 0.00 19.45 18.44 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j h ALA 59 N 0.22 1.67 0.00 0.00 0.00 -1.70 -3.28 119.26 116.18 1i5j h ALA 59 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1i5j h ALA 59 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1i5j h ALA 59 CO 0.12 0.26 0.00 -1.33 0.00 0.00 0.00 179.25 178.31 1i5j n MET 60 N -4.42 -0.21 -0.06 0.00 2.81 -1.26 -4.51 117.12 109.47 1i5j n MET 60 Ca 0.01 -0.11 -0.05 0.00 -1.81 0.00 0.00 57.70 55.75 1i5j n MET 60 Cb 0.13 -0.61 -0.04 0.00 -0.71 0.00 0.00 33.22 31.98 1i5j n MET 60 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1i5j h SER 61 N 0.00 -0.00 0.36 7.83 0.02 -1.69 -3.30 113.55 116.77 1i5j h SER 61 Ca 0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1i5j h SER 61 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1i5j h SER 61 CO 0.00 0.67 -1.09 0.41 -1.14 0.00 0.00 176.83 175.67 1i5j n THR 62 N -4.72 0.14 0.16 -2.27 -1.04 -1.24 -4.08 114.28 101.22 1i5j n THR 62 Ca -0.03 -0.24 0.01 0.00 -2.04 0.00 0.00 64.05 61.74 1i5j n THR 62 Cb 0.16 0.26 0.24 0.00 -1.82 0.00 0.00 70.33 69.17 1i5j n THR 62 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1i5j h TYR 63 N 0.00 0.00 -0.32 -1.42 5.03 -1.74 -2.76 116.97 115.76 1i5j h TYR 63 Ca 0.00 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.40 1i5j h TYR 63 Cb 0.73 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1i5j h TYR 63 CO 0.00 0.53 0.40 1.15 -1.32 0.00 0.00 178.16 178.91 1i5j h THR 64 N 0.00 0.33 0.00 1.81 2.02 -1.71 1.06 112.91 116.42 1i5j h THR 64 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1i5j h THR 64 Cb 0.96 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1i5j h THR 64 CO 0.07 0.00 -1.54 0.61 0.37 0.00 0.00 175.52 175.03 1i5j n GLY 65 N -1.44 -1.22 0.02 2.16 0.00 -1.05 -4.09 105.19 99.57 1i5j n GLY 65 Ca 0.05 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1i5j n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i5j n ILE 66 N -2.48 0.09 0.20 -0.61 2.08 0.21 -3.80 119.36 115.04 1i5j n ILE 66 Ca -0.03 -0.13 -0.14 0.00 0.56 0.00 0.00 62.75 63.01 1i5j n ILE 66 Cb 0.58 0.39 -0.08 0.00 -0.75 0.00 0.00 39.64 39.78 1i5j n ILE 66 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1i5j h PHE 67 N 0.00 -0.46 -0.08 1.39 3.57 0.66 -2.75 116.94 119.26 1i5j h PHE 67 Ca 0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1i5j h PHE 67 Cb 0.62 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1i5j h PHE 67 CO 0.00 -0.18 -0.56 1.15 -2.23 0.00 0.00 178.31 176.50 1i5j h THR 68 N -0.71 1.37 -0.30 4.41 2.02 -1.77 -2.97 112.91 114.96 1i5j h THR 68 Ca -0.05 -1.87 0.07 0.00 0.77 0.00 0.00 66.41 65.33 1i5j h THR 68 Cb 0.49 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1i5j h THR 68 CO 0.08 0.56 0.21 0.44 0.37 0.00 0.00 175.52 177.18 1i5j h ASP 69 N 0.18 0.07 -0.53 4.18 3.32 -1.64 0.27 116.42 122.27 1i5j h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i5j h ASP 69 Cb 1.04 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1i5j h ASP 69 CO 0.09 0.04 0.00 1.67 -1.72 0.00 0.00 179.24 179.32 1i5j n GLN 70 N -4.46 2.63 -0.06 3.56 -0.06 -1.04 -3.38 117.38 114.57 1i5j n GLN 70 Ca 0.04 -2.08 -0.09 0.00 -2.00 0.00 0.00 57.00 52.87 1i5j n GLN 70 Cb 0.32 -1.57 -0.03 0.00 -4.06 0.00 0.00 30.24 24.91 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1i5j n VAL 71 N 0.99 1.34 -0.04 1.69 0.31 0.92 -4.04 118.33 119.51 1i5j n VAL 71 Ca 0.19 0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.55 1i5j n VAL 71 Cb 0.57 -2.04 0.06 0.00 -0.91 0.00 0.00 33.84 31.52 1i5j n VAL 71 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i5j h LEU 72 N -0.69 0.72 0.00 7.52 3.38 -1.64 1.22 115.31 125.83 1i5j h LEU 72 Ca -0.10 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1i5j h LEU 72 Cb 0.84 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1i5j h LEU 72 CO -0.06 1.05 0.00 -0.24 0.09 0.00 0.00 178.44 179.27 1i5j n SER 73 N -4.03 0.00 -0.00 -0.43 2.88 -1.22 -0.31 113.62 110.51 1i5j n SER 73 Ca -0.02 0.39 0.02 0.00 -1.33 0.00 0.00 58.87 57.93 1i5j n SER 73 Cb 0.54 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 1i5j n SER 73 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1i5j n VAL 74 N -1.46 0.00 -0.10 2.46 0.31 -0.93 -3.37 118.33 115.24 1i5j n VAL 74 Ca 0.06 -0.14 -0.17 0.00 -0.01 0.00 0.00 64.34 64.08 1i5j n VAL 74 Cb 0.24 0.53 -0.13 0.00 -0.91 0.00 0.00 33.84 33.57 1i5j n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5j n LEU 75 N -1.52 2.36 -0.06 7.52 -0.00 0.42 -4.53 117.00 121.19 1i5j n LEU 75 Ca -0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 56.01 55.98 1i5j n LEU 75 Cb 0.08 -0.67 -0.01 0.00 -0.00 0.00 0.00 43.42 42.82 1i5j n LEU 75 CO 0.07 0.84 0.08 0.29 -0.00 0.00 0.00 177.39 178.67 1i5j n LYS 76 N -3.20 3.90 -2.94 1.47 4.76 0.58 -5.00 118.16 117.73 1i5j n LYS 76 Ca -0.41 -0.22 -0.18 0.00 -2.87 0.00 0.00 58.31 54.63 1i5j n LYS 76 Cb 1.03 -0.83 0.03 0.00 -1.84 0.00 0.00 35.03 33.43 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i5j n GLY 77 N 0.90 -0.27 0.00 0.72 0.00 -0.34 -4.85 105.19 101.34 1i5j n GLY 77 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1i5j n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5j n GLU 78 N -3.47 0.55 -0.85 1.61 -0.58 -0.99 -4.90 120.64 112.00 1i5j n GLU 78 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1i5j n GLU 78 Cb 0.59 -0.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.90 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74