#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 -1.79 0.12 4.78 -0.00 -1.26 -4.91 117.46 114.41 1i5j n PHE 14 Ca 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 57.45 57.57 1i5j n PHE 14 Cb 0.00 0.74 0.24 0.00 -0.00 0.00 0.00 39.48 40.46 1i5j n PHE 14 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.76 178.13 1i5j h LEU 15 N 0.00 0.15 -2.07 -2.13 -0.00 -2.08 -2.83 115.31 106.35 1i5j h LEU 15 Ca 0.00 -0.07 0.08 0.00 -0.00 0.00 0.00 57.88 57.90 1i5j h LEU 15 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1i5j h LEU 15 CO 0.00 0.58 0.35 0.74 -0.00 0.00 0.00 178.44 180.11 1i5j h THR 16 N 0.12 0.35 -0.93 0.15 2.02 -2.02 -0.43 112.91 112.17 1i5j h THR 16 Ca 0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1i5j h THR 16 Cb 0.85 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 1i5j h THR 16 CO 0.07 0.00 0.60 1.56 0.37 0.00 0.00 175.52 178.12 1i5j h GLN 17 N 0.00 1.00 -0.61 6.66 4.20 -1.87 -1.04 115.11 123.44 1i5j h GLN 17 Ca 0.13 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1i5j h GLN 17 Cb 0.83 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1i5j h GLN 17 CO -0.00 0.66 0.41 0.28 -0.67 0.00 0.00 178.83 179.50 1i5j h VAL 18 N 1.03 1.12 0.75 -0.54 2.07 -1.28 -1.38 116.25 118.02 1i5j h VAL 18 Ca 0.41 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1i5j h VAL 18 Cb 0.25 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1i5j h VAL 18 CO -0.17 0.14 -0.36 0.50 0.02 0.00 0.00 177.57 177.71 1i5j h LYS 19 N 0.78 -0.97 -0.07 1.57 1.63 -1.31 0.13 116.57 118.32 1i5j h LYS 19 Ca 0.23 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.12 1i5j h LYS 19 Cb -0.01 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1i5j h LYS 19 CO -0.06 -0.65 0.23 0.93 -3.45 0.00 0.00 179.45 176.46 1i5j h GLU 20 N -1.18 0.00 0.05 1.90 5.08 -1.38 0.34 114.58 119.39 1i5j h GLU 20 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1i5j h GLU 20 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1i5j h GLU 20 CO 0.17 0.00 -0.02 1.03 -1.00 0.00 0.00 179.01 179.19 1i5j h SER 21 N 0.00 -0.05 0.21 1.42 0.87 -0.86 -3.02 113.55 112.12 1i5j h SER 21 Ca 0.03 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1i5j h SER 21 Cb 0.50 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1i5j h SER 21 CO -0.00 0.51 -0.11 0.25 -0.53 0.00 0.00 176.83 176.95 1i5j h LEU 22 N -1.01 0.00 -0.91 2.23 7.12 -0.13 -1.59 115.31 121.02 1i5j h LEU 22 Ca -0.01 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.89 1i5j h LEU 22 Cb 0.19 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1i5j h LEU 22 CO 0.01 0.11 -0.45 -1.28 -0.13 0.00 0.00 178.44 176.70 1i5j h SER 23 N 0.00 0.22 -0.32 1.25 0.87 -0.46 -2.83 113.55 112.29 1i5j h SER 23 Ca -0.00 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.39 1i5j h SER 23 Cb 0.24 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1i5j h SER 23 CO 0.01 0.65 -0.03 0.28 -0.53 0.00 0.00 176.83 177.21 1i5j h SER 24 N 0.17 0.67 -0.73 6.23 0.02 -1.15 0.94 113.55 119.70 1i5j h SER 24 Ca 0.01 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1i5j h SER 24 Cb 0.86 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1i5j h SER 24 CO 0.07 0.76 0.48 0.22 -1.14 0.00 0.00 176.83 177.22 1i5j h TYR 25 N 0.65 0.85 0.00 3.45 5.03 -1.46 -1.23 116.97 124.26 1i5j h TYR 25 Ca 0.13 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1i5j h TYR 25 Cb 0.44 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1i5j h TYR 25 CO 0.02 0.49 -1.08 0.91 -1.32 0.00 0.00 178.16 177.18 1i5j n TRP 26 N -4.46 0.39 -0.31 -3.82 7.02 -0.81 -4.20 117.44 111.25 1i5j n TRP 26 Ca 0.09 0.11 0.03 0.00 -1.02 0.00 0.00 57.50 56.72 1i5j n TRP 26 Cb 0.14 -0.55 0.23 0.00 -2.42 0.00 0.00 31.31 28.70 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1i5j h GLU 27 N 0.00 1.02 -0.56 -0.99 4.81 0.22 -0.67 114.58 118.41 1i5j h GLU 27 Ca 0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1i5j h GLU 27 Cb 0.80 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1i5j h GLU 27 CO 0.00 0.68 0.14 1.03 -0.73 0.00 0.00 179.01 180.13 1i5j h SER 28 N 1.06 0.84 -0.24 1.04 0.87 -1.71 0.50 113.55 115.89 1i5j h SER 28 Ca 0.39 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1i5j h SER 28 Cb 0.17 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1i5j h SER 28 CO -0.14 0.85 0.10 0.00 -0.53 0.00 0.00 176.83 177.10 1i5j h ALA 29 N 1.02 1.60 0.00 6.23 0.00 -1.52 -0.43 119.26 126.16 1i5j h ALA 29 Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1i5j h ALA 29 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1i5j h ALA 29 CO 0.00 0.31 -0.50 0.87 0.00 0.00 0.00 179.25 179.93 1i5j h LYS 30 N 0.43 0.00 -0.87 0.00 1.57 -0.35 -3.25 116.57 114.11 1i5j h LYS 30 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1i5j h LYS 30 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1i5j h LYS 30 CO -0.01 0.50 0.45 1.15 -0.57 0.00 0.00 179.45 180.98 1i5j h THR 31 N 0.00 1.26 -0.08 -0.16 2.02 0.17 -0.90 112.91 115.22 1i5j h THR 31 Ca -0.00 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.52 1i5j h THR 31 Cb 1.34 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1i5j h THR 31 CO 0.06 0.30 0.25 0.00 0.37 0.00 0.00 175.52 176.51 1i5j h ALA 32 N 1.25 1.45 0.15 6.16 0.00 -1.53 0.28 119.26 127.02 1i5j h ALA 32 Ca 0.30 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.89 1i5j h ALA 32 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1i5j h ALA 32 CO -0.04 -0.30 -1.57 0.00 0.00 0.00 0.00 179.25 177.33 1i5j h ALA 33 N 1.57 0.20 -0.27 0.00 0.00 -1.34 -3.32 119.26 116.10 1i5j h ALA 33 Ca 0.04 -1.09 -0.07 0.00 0.00 0.00 0.00 54.91 53.80 1i5j h ALA 33 Cb 0.55 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1i5j h ALA 33 CO -0.00 1.06 -0.12 0.37 0.00 0.00 0.00 179.25 180.56 1i5j h GLN 34 N 0.09 0.45 0.25 0.00 4.15 -0.22 -1.92 115.11 117.92 1i5j h GLN 34 Ca -0.27 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.03 1i5j h GLN 34 Cb 2.05 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 29.65 1i5j h GLN 34 CO 0.18 0.57 -0.49 -0.97 -1.93 0.00 0.00 178.83 176.19 1i5j h ASN 35 N 0.42 -1.43 0.75 -0.69 -0.73 -1.33 0.37 115.58 112.94 1i5j h ASN 35 Ca 0.08 0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.36 1i5j h ASN 35 Cb 0.47 0.51 -0.00 0.00 0.27 0.00 0.00 38.32 39.56 1i5j h ASN 35 CO 0.03 -0.57 -0.11 0.25 -0.37 0.00 0.00 177.43 176.66 1i5j h LEU 36 N -0.80 0.00 0.00 0.34 6.46 -1.68 0.33 115.31 119.96 1i5j h LEU 36 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1i5j h LEU 36 Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1i5j h LEU 36 CO -0.19 0.11 0.00 0.00 -0.62 0.00 0.00 178.44 177.74 1i5j n TYR 37 N -3.33 0.00 -1.30 1.25 9.36 -0.60 -4.78 117.16 117.77 1i5j n TYR 37 Ca -0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1i5j n TYR 37 Cb 0.32 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 38.61 1i5j n TYR 37 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1i5j n GLU 38 N -1.75 0.00 -0.02 2.98 2.13 0.17 -4.72 120.64 119.43 1i5j n GLU 38 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1i5j n GLU 38 Cb 0.00 -0.25 -0.08 0.00 0.27 0.00 0.00 31.44 31.39 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1i5j h LYS 39 N 0.00 0.72 0.05 5.31 1.57 -0.30 -3.18 116.57 120.74 1i5j h LYS 39 Ca 0.00 -0.59 -0.31 0.00 -1.87 0.00 0.00 60.65 57.87 1i5j h LYS 39 Cb 0.43 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1i5j h LYS 39 CO 0.00 1.21 -1.75 1.15 -0.57 0.00 0.00 179.45 179.49 1i5j h THR 40 N 0.42 0.85 -0.62 -0.16 2.02 -0.52 -3.34 112.91 111.56 1i5j h THR 40 Ca -0.05 -2.63 0.18 0.00 0.77 0.00 0.00 66.41 64.68 1i5j h THR 40 Cb 1.35 2.50 -0.02 0.00 -1.74 0.00 0.00 68.15 70.24 1i5j h THR 40 CO 0.15 0.67 0.47 0.22 0.37 0.00 0.00 175.52 177.40 1i5j h TYR 41 N 0.03 0.00 -4.39 3.16 5.03 -1.67 -3.42 116.97 115.71 1i5j h TYR 41 Ca -0.31 0.00 -0.48 0.00 2.58 0.00 0.00 58.73 60.52 1i5j h TYR 41 Cb 2.01 0.00 0.08 0.00 1.55 0.00 0.00 36.73 40.38 1i5j h TYR 41 CO 0.03 0.00 0.38 -0.51 -1.32 0.00 0.00 178.16 176.74 1i5j s LEU 42 N -8.44 2.80 -0.02 2.82 1.43 -1.20 -4.92 118.68 111.15 1i5j s LEU 42 Ca -0.05 0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 53.93 1i5j s LEU 42 Cb 0.19 -3.61 -0.19 0.00 0.03 0.00 0.00 46.19 42.61 1i5j s LEU 42 CO 0.71 -1.52 2.75 -0.81 0.23 0.00 0.00 176.35 177.71 1i5j n PRO 43 N -3.06 1.46 -4.18 1.29 -0.04 -1.26 -4.67 135.00 124.54 1i5j n PRO 43 Ca 0.07 -0.73 -0.30 0.00 -0.04 0.00 0.00 63.50 62.50 1i5j n PRO 43 Cb 0.59 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.66 -1.90 0.02 0.55 0.00 -1.26 -4.90 120.51 115.67 1i5j n ALA 44 Ca 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1i5j n ALA 44 Cb 0.66 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.73 0.00 -3.31 0.00 2.07 -1.88 -3.51 116.25 107.89 1i5j h VAL 45 Ca -0.64 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1i5j h VAL 45 Cb 1.39 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1i5j h VAL 45 CO 0.69 0.00 -0.43 0.47 0.02 0.00 0.00 177.57 178.32 1i5j n ASP 46 N -2.76 -2.76 0.00 0.57 9.92 -1.26 -4.58 116.55 115.68 1i5j n ASP 46 Ca -0.01 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1i5j n ASP 46 Cb 0.03 -2.38 0.00 0.00 -0.64 0.00 0.00 41.12 38.13 1i5j n ASP 46 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1i5j n GLU 47 N 0.57 0.00 -0.22 -1.24 1.02 -1.26 -4.58 120.64 114.92 1i5j n GLU 47 Ca -0.08 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.09 1i5j n GLU 47 Cb 0.12 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.68 1i5j n GLU 47 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i5j h LYS 48 N 0.00 0.35 0.00 3.49 1.57 -2.00 0.80 116.57 120.78 1i5j h LYS 48 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1i5j h LYS 48 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1i5j h LYS 48 CO 0.00 0.23 -0.74 1.37 -0.57 0.00 0.00 179.45 179.74 1i5j h LEU 49 N 0.36 0.00 -3.27 2.94 8.10 -1.88 -3.17 115.31 118.39 1i5j h LEU 49 Ca 0.36 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 58.09 1i5j h LEU 49 Cb 0.52 0.00 -0.16 0.00 -0.44 0.00 0.00 40.66 40.59 1i5j h LEU 49 CO -0.39 0.74 0.33 -1.14 -4.11 0.00 0.00 178.44 173.86 1i5j n ARG 50 N -3.35 2.50 -0.11 0.17 3.00 0.78 -4.15 116.66 115.51 1i5j n ARG 50 Ca 0.01 -2.21 -0.20 0.00 -0.00 0.00 0.00 57.85 55.44 1i5j n ARG 50 Cb 0.81 -1.92 -0.08 0.00 0.00 0.00 0.00 32.46 31.27 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 -0.34 1.83 -0.24 6.15 9.92 0.24 -3.18 116.55 130.93 1i5j n ASP 51 Ca 0.36 0.14 0.22 0.00 -0.53 0.00 0.00 54.79 54.98 1i5j n ASP 51 Cb 1.23 -0.53 0.57 0.00 -0.64 0.00 0.00 41.12 41.75 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 -0.51 0.30 0.00 0.64 -0.00 -1.74 0.34 115.31 114.34 1i5j h LEU 52 Ca -0.52 0.04 -0.20 0.00 -0.00 0.00 0.00 57.88 57.20 1i5j h LEU 52 Cb 1.55 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 42.17 1i5j h LEU 52 CO -0.24 0.11 -1.27 0.00 -0.00 0.00 0.00 178.44 177.03 1i5j n TYR 53 N -4.46 0.76 0.79 0.17 4.19 -1.26 -2.98 117.16 114.37 1i5j n TYR 53 Ca 0.20 0.33 -0.01 0.00 3.31 0.00 0.00 57.90 61.73 1i5j n TYR 53 Cb 0.80 -0.96 0.03 0.00 0.49 0.00 0.00 39.34 39.70 1i5j n TYR 53 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1i5j n SER 54 N -4.45 2.33 0.00 2.98 7.64 -1.07 -1.90 113.62 119.15 1i5j n SER 54 Ca -0.29 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1i5j n SER 54 Cb 0.60 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.21 0.00 0.07 1.43 0.00 0.12 -4.11 118.16 115.88 1i5j n LYS 55 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.47 1i5j n LYS 55 Cb 0.49 -0.36 -0.03 0.00 0.00 0.00 0.00 35.03 35.13 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i5j n SER 56 N -1.57 0.65 -0.03 3.14 7.64 -1.16 -2.95 113.62 119.34 1i5j n SER 56 Ca 0.00 0.22 -0.02 0.00 1.01 0.00 0.00 58.87 60.08 1i5j n SER 56 Cb 0.00 0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 63.94 1i5j n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i5j n THR 57 N -2.53 0.35 -0.13 0.44 -1.04 -0.80 -4.35 114.28 106.21 1i5j n THR 57 Ca -0.01 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.05 61.50 1i5j n THR 57 Cb 0.54 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.13 1.27 1.92 2.41 0.00 -0.96 -2.59 120.51 120.42 1i5j n ALA 58 Ca -0.08 -1.09 0.12 0.00 0.00 0.00 0.00 53.44 52.39 1i5j n ALA 58 Cb 0.60 0.03 0.70 0.00 0.00 0.00 0.00 19.45 20.78 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 -3.87 2.63 0.00 0.00 0.00 -1.15 -1.63 120.51 116.49 1i5j n ALA 59 Ca -0.51 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1i5j n ALA 59 Cb 0.92 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.74 1.85 -0.00 0.00 2.81 -1.19 -4.56 117.12 115.29 1i5j n MET 60 Ca 0.18 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.18 1i5j n MET 60 Cb 0.12 -0.86 -0.11 0.00 -0.71 0.00 0.00 33.22 31.66 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 -1.81 0.87 -0.00 7.83 2.88 -1.07 -4.30 113.62 118.03 1i5j n SER 61 Ca 0.00 -0.86 0.07 0.00 -1.33 0.00 0.00 58.87 56.75 1i5j n SER 61 Cb 0.36 1.08 -0.09 0.00 -0.75 0.00 0.00 64.21 64.81 1i5j n SER 61 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1i5j n THR 62 N -1.59 0.00 0.15 2.46 -1.04 -0.65 -4.43 114.28 109.19 1i5j n THR 62 Ca 0.03 -0.20 -0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1i5j n THR 62 Cb 0.36 0.84 0.21 0.00 -1.82 0.00 0.00 70.33 69.91 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 -0.37 -1.42 5.03 -1.75 -2.87 116.97 115.59 1i5j h TYR 63 Ca 0.00 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.42 1i5j h TYR 63 Cb 0.39 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1i5j h TYR 63 CO 0.00 0.57 0.48 1.79 -1.32 0.00 0.00 178.16 179.68 1i5j h THR 64 N 0.00 0.28 0.00 1.81 1.35 -1.80 1.43 112.91 115.98 1i5j h THR 64 Ca -0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.77 1i5j h THR 64 Cb 1.03 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 1i5j h THR 64 CO 0.07 0.00 -0.58 1.23 -0.25 0.00 0.00 175.52 175.99 1i5j h GLY 65 N 0.00 0.00 0.00 5.82 0.00 -1.81 -3.26 103.07 103.82 1i5j h GLY 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1i5j h GLY 65 CO -0.00 0.00 -1.38 1.39 0.00 0.00 0.00 176.54 176.55 1i5j n ILE 66 N -3.11 0.00 -0.03 2.60 -0.00 0.35 -3.73 119.36 115.43 1i5j n ILE 66 Ca 0.01 -0.27 -0.13 0.00 -0.00 0.00 0.00 62.75 62.36 1i5j n ILE 66 Cb 0.70 0.50 -0.09 0.00 -0.00 0.00 0.00 39.64 40.75 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 0.18 0.00 1.39 3.04 0.13 -3.23 116.94 118.45 1i5j h PHE 67 Ca 0.00 -0.06 -0.15 0.00 3.98 0.00 0.00 57.97 61.74 1i5j h PHE 67 Cb 0.64 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1i5j h PHE 67 CO 0.00 0.64 -0.71 1.15 -2.02 0.00 0.00 178.31 177.37 1i5j h THR 68 N -0.32 1.29 -0.14 4.41 2.02 -1.78 -3.22 112.91 115.17 1i5j h THR 68 Ca 0.01 -2.65 0.04 0.00 0.77 0.00 0.00 66.41 64.57 1i5j h THR 68 Cb 0.62 2.53 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1i5j h THR 68 CO 0.02 0.70 0.16 -0.78 0.37 0.00 0.00 175.52 175.98 1i5j h ASP 69 N 0.00 0.00 -0.39 4.18 3.58 -1.64 0.11 116.42 122.26 1i5j h ASP 69 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1i5j h ASP 69 Cb 1.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.52 1i5j h ASP 69 CO 0.09 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.45 1i5j n GLN 70 N -3.80 3.28 -0.02 0.28 10.64 -1.21 -3.98 117.38 122.56 1i5j n GLN 70 Ca 0.00 -2.69 -0.03 0.00 -1.83 0.00 0.00 57.00 52.45 1i5j n GLN 70 Cb 0.27 -1.76 -0.01 0.00 -0.86 0.00 0.00 30.24 27.88 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1i5j n VAL 71 N 0.17 0.81 0.11 -0.39 0.31 0.35 -4.28 118.33 115.41 1i5j n VAL 71 Ca 0.20 0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 64.78 1i5j n VAL 71 Cb 0.81 -1.72 0.22 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.34 0.20 -0.49 7.52 -0.00 -1.76 0.75 115.31 121.19 1i5j h LEU 72 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1i5j h LEU 72 Cb 0.34 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1i5j h LEU 72 CO 0.00 0.63 0.00 -0.24 -0.00 0.00 0.00 178.44 178.83 1i5j n SER 73 N -3.99 0.47 0.00 0.17 2.88 -1.26 -0.56 113.62 111.33 1i5j n SER 73 Ca -0.02 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1i5j n SER 73 Cb 0.50 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 -2.02 0.00 0.00 2.46 0.31 -0.79 -3.20 118.33 115.08 1i5j n VAL 74 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1i5j n VAL 74 Cb 0.21 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 -1.48 0.00 -0.00 7.52 -0.00 0.26 -4.75 117.00 118.54 1i5j n LEU 75 Ca 0.00 -0.30 0.09 0.00 -0.00 0.00 0.00 56.01 55.80 1i5j n LEU 75 Cb 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.37 1i5j n LEU 75 CO 0.00 0.00 -0.19 0.29 -0.00 0.00 0.00 177.39 177.49 1i5j n LYS 76 N -0.68 0.68 0.00 1.47 4.76 0.27 -4.96 118.16 119.70 1i5j n LYS 76 Ca 0.00 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1i5j n LYS 76 Cb 0.00 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 1.44 0.99 2.80 0.72 0.00 -0.89 -4.79 105.19 105.45 1i5j n GLY 77 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.61 -0.71 1.61 2.13 -0.91 -4.96 120.64 116.19 1i5j n GLU 78 Ca 0.00 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1i5j n GLU 78 Cb 0.00 -4.77 0.00 0.00 0.27 0.00 0.00 31.44 26.94 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11