#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 0.00 -0.08 -1.42 7.35 -1.26 -4.65 117.46 117.40 1i5j n PHE 14 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1i5j n PHE 14 Cb 0.00 -0.39 -0.12 0.00 0.35 0.00 0.00 39.48 39.32 1i5j n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1i5j h LEU 15 N 0.00 0.03 -1.38 -2.13 3.38 -2.05 -3.31 115.31 109.85 1i5j h LEU 15 Ca 0.00 -0.70 -0.06 0.00 0.09 0.00 0.00 57.88 57.20 1i5j h LEU 15 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1i5j h LEU 15 CO 0.00 1.34 -0.31 0.74 0.09 0.00 0.00 178.44 180.30 1i5j h THR 16 N -0.94 1.19 -0.20 0.22 2.02 -1.99 -1.23 112.91 111.99 1i5j h THR 16 Ca -0.23 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 1i5j h THR 16 Cb 1.25 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1i5j h THR 16 CO -0.12 0.30 -0.09 -0.61 0.37 0.00 0.00 175.52 175.38 1i5j h GLN 17 N 0.00 0.32 0.12 6.66 4.15 -1.93 -0.03 115.11 124.40 1i5j h GLN 17 Ca -0.00 -0.07 -0.33 0.00 0.77 0.00 0.00 58.65 59.02 1i5j h GLN 17 Cb 0.56 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1i5j h GLN 17 CO 0.04 0.42 -1.72 0.28 -1.93 0.00 0.00 178.83 175.92 1i5j h VAL 18 N 0.30 0.93 0.75 2.39 2.07 -1.53 -3.20 116.25 117.97 1i5j h VAL 18 Ca 0.06 -2.60 -0.04 0.00 0.82 0.00 0.00 66.70 64.94 1i5j h VAL 18 Cb 0.35 2.66 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1i5j h VAL 18 CO 0.02 0.81 -0.36 0.50 0.02 0.00 0.00 177.57 178.56 1i5j h LYS 19 N 0.07 -0.98 0.00 1.57 1.63 -1.06 -1.37 116.57 116.43 1i5j h LYS 19 Ca -0.32 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1i5j h LYS 19 Cb 2.04 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.89 1i5j h LYS 19 CO 0.14 -0.65 0.18 0.93 -3.45 0.00 0.00 179.45 176.60 1i5j h GLU 20 N -1.22 0.00 0.19 1.90 4.39 -1.19 0.20 114.58 118.84 1i5j h GLU 20 Ca -0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1i5j h GLU 20 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1i5j h GLU 20 CO 0.17 0.00 -0.09 1.03 -1.16 0.00 0.00 179.01 178.96 1i5j h SER 21 N 0.00 -0.21 -0.09 1.42 0.87 -1.46 0.02 113.55 114.09 1i5j h SER 21 Ca 0.00 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1i5j h SER 21 Cb 0.36 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1i5j h SER 21 CO 0.00 0.31 -0.13 0.25 -0.53 0.00 0.00 176.83 176.73 1i5j h LEU 22 N -1.02 0.42 -0.42 2.23 5.85 -0.59 -2.01 115.31 119.78 1i5j h LEU 22 Ca -0.03 -0.10 -0.18 0.00 0.84 0.00 0.00 57.88 58.41 1i5j h LEU 22 Cb 0.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1i5j h LEU 22 CO 0.04 0.58 -0.76 0.28 -0.34 0.00 0.00 178.44 178.25 1i5j h SER 23 N 0.40 0.35 0.19 1.25 0.02 -0.73 -3.11 113.55 111.93 1i5j h SER 23 Ca 0.08 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.68 1i5j h SER 23 Cb 0.48 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1i5j h SER 23 CO 0.03 0.98 -0.39 0.28 -1.14 0.00 0.00 176.83 176.60 1i5j h SER 24 N 0.19 0.28 -0.80 3.07 0.02 -0.56 0.86 113.55 116.61 1i5j h SER 24 Ca -0.03 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1i5j h SER 24 Cb 1.34 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.74 1i5j h SER 24 CO 0.12 0.65 0.53 0.22 -1.14 0.00 0.00 176.83 177.21 1i5j h TYR 25 N 0.23 0.69 0.00 3.45 3.20 -1.30 -1.36 116.97 121.88 1i5j h TYR 25 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1i5j h TYR 25 Cb 0.79 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1i5j h TYR 25 CO 0.02 0.28 -1.38 1.87 -1.64 0.00 0.00 178.16 177.31 1i5j n TRP 26 N -4.51 0.00 -0.19 -3.82 -0.00 -1.00 -4.42 117.44 103.50 1i5j n TRP 26 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.63 1i5j n TRP 26 Cb 0.44 -0.23 0.21 0.00 -0.00 0.00 0.00 31.31 31.73 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1i5j h GLU 27 N 0.00 0.94 -0.67 5.87 4.81 0.19 -1.97 114.58 123.75 1i5j h GLU 27 Ca 0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1i5j h GLU 27 Cb 0.64 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1i5j h GLU 27 CO 0.00 0.71 0.28 1.03 -0.73 0.00 0.00 179.01 180.31 1i5j h SER 28 N 0.94 0.90 -0.00 1.04 0.87 -1.70 0.76 113.55 116.37 1i5j h SER 28 Ca 0.24 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1i5j h SER 28 Cb 0.07 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1i5j h SER 28 CO -0.03 0.82 -0.05 0.00 -0.53 0.00 0.00 176.83 177.03 1i5j h ALA 29 N 1.12 1.73 0.00 6.23 0.00 -1.66 -0.12 119.26 126.56 1i5j h ALA 29 Ca 0.22 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1i5j h ALA 29 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1i5j h ALA 29 CO -0.02 0.20 -0.62 0.87 0.00 0.00 0.00 179.25 179.68 1i5j h LYS 30 N 0.14 0.00 -0.36 0.00 1.57 -0.52 -3.32 116.57 114.09 1i5j h LYS 30 Ca 0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1i5j h LYS 30 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1i5j h LYS 30 CO 0.01 0.25 0.02 1.15 -0.57 0.00 0.00 179.45 180.30 1i5j h THR 31 N 0.00 1.25 -0.00 -0.16 2.02 0.24 -1.96 112.91 114.29 1i5j h THR 31 Ca -0.03 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1i5j h THR 31 Cb 1.25 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1i5j h THR 31 CO 0.03 0.31 0.07 0.00 0.37 0.00 0.00 175.52 176.30 1i5j h ALA 32 N 0.88 1.09 0.00 6.16 0.00 -1.52 0.24 119.26 126.12 1i5j h ALA 32 Ca 0.11 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1i5j h ALA 32 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1i5j h ALA 32 CO 0.01 -0.07 -1.20 0.00 0.00 0.00 0.00 179.25 178.00 1i5j h ALA 33 N 1.87 0.59 -0.32 0.00 0.00 -1.51 -3.32 119.26 116.57 1i5j h ALA 33 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 1i5j h ALA 33 Cb 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1i5j h ALA 33 CO -0.00 1.17 -0.24 1.96 0.00 0.00 0.00 179.25 182.14 1i5j h GLN 34 N 0.00 0.63 0.41 0.00 4.20 -0.03 -2.33 115.11 117.99 1i5j h GLN 34 Ca -0.12 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 1i5j h GLN 34 Cb 1.73 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.46 1i5j h GLN 34 CO 0.09 0.82 -0.49 -0.97 -0.67 0.00 0.00 178.83 177.61 1i5j h ASN 35 N 0.56 -1.38 -0.04 1.46 -1.24 -1.57 0.77 115.58 114.13 1i5j h ASN 35 Ca 0.08 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.22 1i5j h ASN 35 Cb 0.71 0.47 -0.00 0.00 0.73 0.00 0.00 38.32 40.23 1i5j h ASN 35 CO 0.05 -0.62 0.04 0.25 -1.29 0.00 0.00 177.43 175.86 1i5j h LEU 36 N -0.92 0.00 -0.16 0.34 5.85 -1.69 0.26 115.31 118.99 1i5j h LEU 36 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1i5j h LEU 36 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1i5j h LEU 36 CO -0.10 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.78 1i5j n TYR 37 N -4.31 0.04 -3.01 1.25 4.02 -0.43 -4.87 117.16 109.85 1i5j n TYR 37 Ca -0.02 -0.02 -0.22 0.00 -0.01 0.00 0.00 57.90 57.63 1i5j n TYR 37 Cb 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1i5j n TYR 37 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1i5j n GLU 38 N -0.58 -4.47 -0.06 -0.72 0.28 0.93 -4.86 120.64 111.16 1i5j n GLU 38 Ca 0.12 0.86 -0.07 0.00 -0.16 0.00 0.00 57.16 57.91 1i5j n GLU 38 Cb 0.09 -5.69 -0.09 0.00 1.43 0.00 0.00 31.44 27.18 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1i5j n LYS 39 N -3.91 1.53 -0.00 3.44 4.76 0.25 -4.67 118.16 119.56 1i5j n LYS 39 Ca -0.11 0.02 0.05 0.00 -2.87 0.00 0.00 58.31 55.40 1i5j n LYS 39 Cb 0.62 -1.31 -0.08 0.00 -1.84 0.00 0.00 35.03 32.42 1i5j n LYS 39 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1i5j n THR 40 N -2.60 0.00 -0.06 -0.18 -1.04 -1.03 -4.54 114.28 104.84 1i5j n THR 40 Ca -0.22 -0.24 0.19 0.00 -2.04 0.00 0.00 64.05 61.75 1i5j n THR 40 Cb 0.86 0.26 0.64 0.00 -1.82 0.00 0.00 70.33 70.28 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 0.14 -3.23 -1.42 5.03 -1.76 -3.40 116.97 112.33 1i5j h TYR 41 Ca 0.00 0.00 -0.58 0.00 2.58 0.00 0.00 58.73 60.73 1i5j h TYR 41 Cb 0.47 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.64 1i5j h TYR 41 CO 0.00 0.05 -0.14 -0.51 -1.32 0.00 0.00 178.16 176.25 1i5j s LEU 42 N -8.91 4.37 -0.87 2.82 1.43 -1.26 -4.97 118.68 111.28 1i5j s LEU 42 Ca -0.06 0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 53.90 1i5j s LEU 42 Cb 0.20 -2.70 -0.13 0.00 0.03 0.00 0.00 46.19 43.59 1i5j s LEU 42 CO 0.74 0.12 2.80 -0.81 0.23 0.00 0.00 176.35 179.44 1i5j n PRO 43 N 2.90 2.57 -3.31 1.29 -0.04 -1.26 -4.58 135.00 132.58 1i5j n PRO 43 Ca -0.09 -1.52 -0.21 0.00 -0.04 0.00 0.00 63.50 61.63 1i5j n PRO 43 Cb 0.52 -2.39 -0.01 0.00 -0.04 0.00 0.00 33.50 31.57 1i5j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i5j n ALA 44 N 3.38 -1.05 0.22 0.55 0.00 -1.26 -4.77 120.51 117.58 1i5j n ALA 44 Ca 0.55 0.04 0.18 0.00 0.00 0.00 0.00 53.44 54.21 1i5j n ALA 44 Cb 0.40 -2.35 0.86 0.00 0.00 0.00 0.00 19.45 18.35 1i5j n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i5j h VAL 45 N -0.76 0.35 0.21 0.00 2.07 -1.99 -0.26 116.25 115.88 1i5j h VAL 45 Ca -0.38 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1i5j h VAL 45 Cb 1.26 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1i5j h VAL 45 CO 0.49 0.00 -0.10 -0.78 0.02 0.00 0.00 177.57 177.20 1i5j h ASP 46 N 0.00 -0.24 -0.84 0.57 1.82 -1.96 -3.01 116.42 112.76 1i5j h ASP 46 Ca 0.08 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.76 1i5j h ASP 46 Cb 0.54 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.56 1i5j h ASP 46 CO -0.00 -0.08 0.54 -0.33 -1.61 0.00 0.00 179.24 177.76 1i5j h GLU 47 N -0.46 1.02 -0.96 0.28 5.08 -1.85 0.78 114.58 118.47 1i5j h GLU 47 Ca -0.03 -0.06 0.23 0.00 -1.00 0.00 0.00 59.36 58.50 1i5j h GLU 47 Cb 0.22 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1i5j h GLU 47 CO 0.05 0.68 0.63 -0.22 -1.00 0.00 0.00 179.01 179.15 1i5j h LYS 48 N 1.05 0.34 0.00 2.33 3.64 -1.15 0.53 116.57 123.31 1i5j h LYS 48 Ca 0.34 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1i5j h LYS 48 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1i5j h LYS 48 CO -0.11 0.23 -1.88 1.28 -2.27 0.00 0.00 179.45 176.69 1i5j n LEU 49 N -4.51 0.16 -1.65 5.20 4.77 -0.56 -4.18 117.00 116.23 1i5j n LEU 49 Ca 0.21 0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1i5j n LEU 49 Cb 0.80 0.06 0.35 0.00 -2.33 0.00 0.00 43.42 42.29 1i5j n LEU 49 CO 0.30 0.04 0.79 -1.14 -1.33 0.00 0.00 177.39 176.06 1i5j n ARG 50 N -2.41 4.13 -0.12 3.23 0.00 0.26 -4.23 116.66 117.52 1i5j n ARG 50 Ca -0.07 -2.72 -0.21 0.00 -0.00 0.00 0.00 57.85 54.85 1i5j n ARG 50 Cb 0.65 -2.07 -0.10 0.00 0.00 0.00 0.00 32.46 30.94 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i5j n ASP 51 N 0.70 2.01 -0.24 6.15 9.92 0.16 -3.79 116.55 131.46 1i5j n ASP 51 Ca 0.24 0.05 0.02 0.00 -0.53 0.00 0.00 54.79 54.57 1i5j n ASP 51 Cb 1.00 -0.52 0.14 0.00 -0.64 0.00 0.00 41.12 41.10 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 -0.36 0.41 0.21 0.64 8.10 -1.79 0.63 115.31 123.14 1i5j h LEU 52 Ca -0.57 0.07 -0.01 0.00 0.11 0.00 0.00 57.88 57.48 1i5j h LEU 52 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.94 1i5j h LEU 52 CO -0.21 0.23 -0.10 0.22 -4.11 0.00 0.00 178.44 174.47 1i5j h TYR 53 N 0.55 -0.26 0.00 0.17 5.03 -1.79 0.40 116.97 121.08 1i5j h TYR 53 Ca 0.35 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1i5j h TYR 53 Cb 0.40 0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1i5j h TYR 53 CO -0.12 0.08 0.00 -1.13 -1.32 0.00 0.00 178.16 175.66 1i5j n SER 54 N -5.06 0.00 0.00 -2.11 3.41 -0.97 -2.48 113.62 106.41 1i5j n SER 54 Ca -0.09 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1i5j n SER 54 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1i5j n SER 54 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i5j n LYS 55 N -0.62 2.08 -0.21 4.33 4.76 0.18 -2.65 118.16 126.02 1i5j n LYS 55 Ca 0.04 -0.00 0.24 0.00 -2.87 0.00 0.00 58.31 55.71 1i5j n LYS 55 Cb 0.02 -0.16 0.61 0.00 -1.84 0.00 0.00 35.03 33.66 1i5j n LYS 55 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1i5j h SER 56 N 0.00 0.21 0.00 4.39 0.87 0.11 -3.19 113.55 115.94 1i5j h SER 56 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1i5j h SER 56 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1i5j h SER 56 CO 0.00 0.08 0.00 0.41 -0.53 0.00 0.00 176.83 176.79 1i5j n THR 57 N -4.40 0.00 -2.85 2.23 -1.04 -1.26 -5.02 114.28 101.94 1i5j n THR 57 Ca 0.19 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.11 1i5j n THR 57 Cb 0.83 1.03 0.03 0.00 -1.82 0.00 0.00 70.33 70.39 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i5j n ALA 58 N 0.00 -0.54 -0.10 2.41 0.00 -1.21 -4.95 120.51 116.12 1i5j n ALA 58 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1i5j n ALA 58 Cb 0.11 -2.19 -0.16 0.00 0.00 0.00 0.00 19.45 17.21 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j n ALA 59 N -3.22 1.50 0.66 0.00 0.00 -1.25 -3.94 120.51 114.25 1i5j n ALA 59 Ca -0.02 -1.33 0.08 0.00 0.00 0.00 0.00 53.44 52.17 1i5j n ALA 59 Cb 0.53 -0.18 0.07 0.00 0.00 0.00 0.00 19.45 19.87 1i5j n ALA 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i5j n MET 60 N -2.77 1.20 -0.10 0.00 2.81 -1.26 -4.47 117.12 112.54 1i5j n MET 60 Ca -0.33 -1.44 -0.12 0.00 -1.81 0.00 0.00 57.70 54.00 1i5j n MET 60 Cb 1.15 -1.30 -0.13 0.00 -0.71 0.00 0.00 33.22 32.24 1i5j n MET 60 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i5j n SER 61 N 0.89 1.29 -0.30 7.83 2.88 -1.08 -3.80 113.62 121.32 1i5j n SER 61 Ca 0.09 -0.05 -0.01 0.00 -1.33 0.00 0.00 58.87 57.57 1i5j n SER 61 Cb 0.40 0.39 0.17 0.00 -0.75 0.00 0.00 64.21 64.42 1i5j n SER 61 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1i5j h THR 62 N 0.00 1.23 0.02 2.46 2.02 -1.78 -2.42 112.91 114.43 1i5j h THR 62 Ca -0.49 -0.42 -0.21 0.00 0.77 0.00 0.00 66.41 66.05 1i5j h THR 62 Cb 1.97 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1i5j h THR 62 CO -0.02 0.22 -1.00 0.22 0.37 0.00 0.00 175.52 175.31 1i5j h TYR 63 N 1.20 0.07 -0.34 3.16 3.20 -1.79 -3.21 116.97 119.27 1i5j h TYR 63 Ca 0.32 -0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.24 1i5j h TYR 63 Cb -0.14 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1i5j h TYR 63 CO 0.00 1.01 0.43 0.00 -1.64 0.00 0.00 178.16 177.96 1i5j h THR 64 N 0.01 0.30 0.00 1.81 1.03 -1.53 1.35 112.91 115.89 1i5j h THR 64 Ca -0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.31 1i5j h THR 64 Cb 1.75 0.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.46 1i5j h THR 64 CO 0.14 0.00 -0.32 1.23 -0.01 0.00 0.00 175.52 176.56 1i5j h GLY 65 N 0.00 0.00 0.00 2.99 0.00 -1.55 -3.00 103.07 101.51 1i5j h GLY 65 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1i5j h GLY 65 CO -0.00 0.00 -1.91 1.39 0.00 0.00 0.00 176.54 176.02 1i5j n ILE 66 N -3.33 0.03 -0.06 2.60 -0.00 0.40 -3.93 119.36 115.07 1i5j n ILE 66 Ca 0.01 -0.46 -0.11 0.00 -0.00 0.00 0.00 62.75 62.19 1i5j n ILE 66 Cb 0.55 0.04 -0.05 0.00 -0.00 0.00 0.00 39.64 40.17 1i5j n ILE 66 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1i5j h PHE 67 N 0.00 0.36 0.00 1.39 3.57 0.38 -2.85 116.94 119.79 1i5j h PHE 67 Ca -0.01 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1i5j h PHE 67 Cb 0.93 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1i5j h PHE 67 CO 0.00 0.52 -0.35 1.15 -2.23 0.00 0.00 178.31 177.40 1i5j h THR 68 N 0.09 0.83 -0.38 4.41 2.02 -1.73 -3.03 112.91 115.12 1i5j h THR 68 Ca 0.05 -1.46 0.11 0.00 0.77 0.00 0.00 66.41 65.89 1i5j h THR 68 Cb 0.37 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1i5j h THR 68 CO 0.01 0.34 0.36 0.44 0.37 0.00 0.00 175.52 177.04 1i5j h ASP 69 N 0.00 0.00 -0.14 4.18 3.32 -1.62 0.74 116.42 122.89 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 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1i5j h ASP 69 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1i5j n GLN 70 N -3.93 1.63 -0.12 3.56 1.13 -1.14 -2.71 117.38 115.80 1i5j n GLN 70 Ca 0.06 -0.95 -0.23 0.00 -1.94 0.00 0.00 57.00 53.95 1i5j n GLN 70 Cb 0.53 -1.38 -0.11 0.00 0.11 0.00 0.00 30.24 29.39 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i5j n VAL 71 N 0.17 1.53 0.13 5.09 0.31 0.25 -4.13 118.33 121.69 1i5j n VAL 71 Ca 0.16 -0.47 0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1i5j n VAL 71 Cb 0.29 -1.66 0.02 0.00 -0.91 0.00 0.00 33.84 31.58 1i5j n VAL 71 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1i5j h LEU 72 N -0.44 0.00 -1.76 7.52 -0.00 -1.64 0.43 115.31 119.41 1i5j h LEU 72 Ca -0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.28 1i5j h LEU 72 Cb 1.77 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.42 1i5j h LEU 72 CO -0.21 0.44 -0.02 0.28 -0.00 0.00 0.00 178.44 178.92 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.02 -1.72 0.45 113.55 112.47 1i5j h SER 73 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1i5j h SER 73 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1i5j h SER 73 CO 0.05 0.02 -0.77 0.52 -1.14 0.00 0.00 176.83 175.52 1i5j n VAL 74 N -3.13 0.00 0.16 2.27 0.31 -1.20 -2.00 118.33 114.74 1i5j n VAL 74 Ca -0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.36 1i5j n VAL 74 Cb 0.26 0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 33.54 1i5j n VAL 74 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1i5j n LEU 75 N -1.16 0.17 -0.00 7.52 4.77 0.15 -4.62 117.00 123.82 1i5j n LEU 75 Ca 0.00 -0.21 0.07 0.00 -0.03 0.00 0.00 56.01 55.84 1i5j n LEU 75 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1i5j n LEU 75 CO 0.00 0.04 -0.37 0.29 -1.33 0.00 0.00 177.39 176.02 1i5j n LYS 76 N -1.54 1.34 0.00 3.23 5.02 -0.02 -4.94 118.16 121.25 1i5j n LYS 76 Ca -0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1i5j n LYS 76 Cb 0.18 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5j n GLY 77 N 1.51 0.96 2.55 0.72 0.00 -0.81 -4.79 105.19 105.34 1i5j n GLY 77 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1i5j n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i5j n GLU 78 N 0.00 -2.13 -0.80 1.61 2.13 -0.85 -4.96 120.64 115.64 1i5j n GLU 78 Ca 0.00 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1i5j n GLU 78 Cb 0.00 -4.28 0.00 0.00 0.27 0.00 0.00 31.44 27.43 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11