#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 -0.12 -1.42 7.35 -1.26 -4.55 117.46 117.46 1i5j n PHE 14 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.48 1i5j n PHE 14 Cb 0.00 -0.40 -0.12 0.00 0.35 0.00 0.00 39.48 39.31 1i5j n PHE 14 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1i5j n LEU 15 N 0.00 2.65 0.15 -2.13 4.77 -1.26 -4.27 117.00 116.91 1i5j n LEU 15 Ca 0.00 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1i5j n LEU 15 Cb 0.00 -0.92 0.36 0.00 -2.33 0.00 0.00 43.42 40.53 1i5j n LEU 15 CO 0.00 0.81 0.78 0.74 -1.33 0.00 0.00 177.39 178.39 1i5j h THR 16 N -0.27 1.23 -0.28 -5.08 2.02 -2.01 -3.00 112.91 105.52 1i5j h THR 16 Ca -0.58 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 65.50 1i5j h THR 16 Cb 1.82 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 1i5j h THR 16 CO -0.16 0.32 0.17 -0.61 0.37 0.00 0.00 175.52 175.62 1i5j h GLN 17 N 0.10 0.33 -0.75 6.66 5.75 -1.93 -1.73 115.11 123.56 1i5j h GLN 17 Ca 0.02 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1i5j h GLN 17 Cb 0.57 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 1i5j h GLN 17 CO 0.04 0.22 0.49 0.28 -2.65 0.00 0.00 178.83 177.21 1i5j h VAL 18 N 0.34 1.06 0.74 2.39 2.07 -1.71 0.07 116.25 121.22 1i5j h VAL 18 Ca 0.11 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1i5j h VAL 18 Cb -0.02 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1i5j h VAL 18 CO -0.04 0.15 -0.36 0.50 0.02 0.00 0.00 177.57 177.84 1i5j h LYS 19 N 0.83 -0.96 -0.03 1.57 3.64 -1.41 -1.44 116.57 118.77 1i5j h LYS 19 Ca 0.31 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.77 1i5j h LYS 19 Cb 0.18 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1i5j h LYS 19 CO -0.10 -0.64 0.20 0.93 -2.27 0.00 0.00 179.45 177.57 1i5j h GLU 20 N -1.21 0.00 0.23 1.90 5.08 -1.12 0.31 114.58 119.77 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 0.77 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 -0.11 1.03 -1.00 0.00 0.00 179.01 179.10 1i5j h SER 21 N 0.00 -0.26 0.33 1.42 0.87 -0.58 0.67 113.55 116.00 1i5j h SER 21 Ca 0.01 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 1i5j h SER 21 Cb 0.42 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1i5j h SER 21 CO -0.00 0.26 -0.39 0.25 -0.53 0.00 0.00 176.83 176.42 1i5j h LEU 22 N -0.99 0.08 -0.39 2.23 7.12 -0.51 -2.22 115.31 120.63 1i5j h LEU 22 Ca -0.03 -0.03 -0.17 0.00 0.13 0.00 0.00 57.88 57.77 1i5j h LEU 22 Cb 0.43 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.52 1i5j h LEU 22 CO 0.05 0.46 -0.81 -1.28 -0.13 0.00 0.00 178.44 176.74 1i5j h SER 23 N 0.07 0.09 0.54 1.25 0.87 -0.49 -3.15 113.55 112.72 1i5j h SER 23 Ca 0.01 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.34 1i5j h SER 23 Cb 0.72 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1i5j h SER 23 CO 0.05 0.86 -0.69 0.77 -0.53 0.00 0.00 176.83 177.29 1i5j h SER 24 N 0.04 0.16 -0.91 6.23 4.64 -0.51 0.38 113.55 123.58 1i5j h SER 24 Ca -0.02 -0.10 0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1i5j h SER 24 Cb 1.42 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.40 1i5j h SER 24 CO 0.11 0.80 0.59 0.22 -0.87 0.00 0.00 176.83 177.68 1i5j h TYR 25 N 0.09 1.03 0.00 4.77 5.03 -1.37 -1.58 116.97 124.95 1i5j h TYR 25 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1i5j h TYR 25 Cb 1.23 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 39.17 1i5j h TYR 25 CO 0.01 0.53 -1.40 0.91 -1.32 0.00 0.00 178.16 176.89 1i5j n TRP 26 N -4.50 0.26 -0.37 -3.82 7.02 -1.14 -4.25 117.44 110.63 1i5j n TRP 26 Ca 0.14 0.08 0.02 0.00 -1.02 0.00 0.00 57.50 56.71 1i5j n TRP 26 Cb 0.22 -0.51 0.16 0.00 -2.42 0.00 0.00 31.31 28.77 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 1.19 -0.61 -0.99 4.81 0.80 -0.93 114.58 118.84 1i5j h GLU 27 Ca 0.00 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1i5j h GLU 27 Cb 0.86 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1i5j h GLU 27 CO 0.00 0.78 0.19 1.03 -0.73 0.00 0.00 179.01 180.29 1i5j h SER 28 N 1.22 0.86 -0.61 1.04 0.87 -1.69 0.27 113.55 115.51 1i5j h SER 28 Ca 0.42 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 1i5j h SER 28 Cb 0.10 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1i5j h SER 28 CO -0.15 0.81 0.33 0.00 -0.53 0.00 0.00 176.83 177.28 1i5j h ALA 29 N 1.31 1.37 0.00 6.23 0.00 -1.41 0.44 119.26 127.20 1i5j h ALA 29 Ca 0.20 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1i5j h ALA 29 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1i5j h ALA 29 CO -0.01 0.50 -0.62 0.87 0.00 0.00 0.00 179.25 180.00 1i5j h LYS 30 N 0.89 0.00 0.35 0.00 1.57 -0.44 -2.15 116.57 116.80 1i5j h LYS 30 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1i5j h LYS 30 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1i5j h LYS 30 CO -0.03 0.62 -0.17 1.15 -0.57 0.00 0.00 179.45 180.44 1i5j h THR 31 N 0.00 0.00 -0.16 -0.16 2.02 0.12 -2.19 112.91 112.54 1i5j h THR 31 Ca -0.01 -0.64 0.05 0.00 0.77 0.00 0.00 66.41 66.57 1i5j h THR 31 Cb 1.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1i5j h THR 31 CO 0.08 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.18 1i5j h ALA 32 N -1.14 1.69 -0.07 6.16 0.00 -0.30 0.46 119.26 126.06 1i5j h ALA 32 Ca -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1i5j h ALA 32 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1i5j h ALA 32 CO 0.08 -0.29 -0.70 0.00 0.00 0.00 0.00 179.25 178.34 1i5j h ALA 33 N 1.73 0.68 -1.00 0.00 0.00 -1.36 -3.12 119.26 116.18 1i5j h ALA 33 Ca 0.07 -0.60 0.19 0.00 0.00 0.00 0.00 54.91 54.58 1i5j h ALA 33 Cb 0.49 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1i5j h ALA 33 CO -0.00 0.77 0.61 0.37 0.00 0.00 0.00 179.25 181.00 1i5j h GLN 34 N 0.22 0.75 0.31 0.00 5.75 0.59 1.01 115.11 123.75 1i5j h GLN 34 Ca -0.02 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1i5j h GLN 34 Cb 1.25 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1i5j h GLN 34 CO 0.11 0.50 -0.22 -0.97 -2.65 0.00 0.00 178.83 175.60 1i5j h ASN 35 N 0.77 -0.55 1.59 -0.69 -0.73 -1.56 1.21 115.58 115.61 1i5j h ASN 35 Ca 0.58 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.76 1i5j h ASN 35 Cb 0.89 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.64 1i5j h ASN 35 CO -0.38 -0.34 -0.13 0.25 -0.37 0.00 0.00 177.43 176.46 1i5j h LEU 36 N -0.52 0.00 -0.55 0.34 5.85 -1.40 1.10 115.31 120.12 1i5j h LEU 36 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1i5j h LEU 36 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1i5j h LEU 36 CO 0.01 0.13 -0.68 -1.22 -0.34 0.00 0.00 178.44 176.34 1i5j n TYR 37 N -3.16 0.00 -0.16 1.25 4.01 0.34 -4.71 117.16 114.73 1i5j n TYR 37 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1i5j n TYR 37 Cb 0.52 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1i5j n GLU 38 N -0.68 0.46 -1.12 -0.72 1.02 0.39 -4.98 120.64 115.02 1i5j n GLU 38 Ca 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 1i5j n GLU 38 Cb 0.41 -0.04 -0.02 0.00 -0.02 0.00 0.00 31.44 31.77 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i5j n LYS 39 N 0.00 -1.32 0.05 3.49 5.02 0.38 -4.84 118.16 120.94 1i5j n LYS 39 Ca 0.00 0.54 -0.09 0.00 -2.02 0.00 0.00 58.31 56.74 1i5j n LYS 39 Cb 0.00 -4.63 0.04 0.00 -0.02 0.00 0.00 35.03 30.42 1i5j n LYS 39 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1i5j h THR 40 N 0.00 1.38 0.00 -0.18 2.02 -1.77 -2.94 112.91 111.42 1i5j h THR 40 Ca -0.08 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1i5j h THR 40 Cb 0.79 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1i5j h THR 40 CO 0.12 0.64 0.18 0.22 0.37 0.00 0.00 175.52 177.05 1i5j h TYR 41 N 0.26 0.00 -3.71 3.16 3.20 -1.88 -3.42 116.97 114.58 1i5j h TYR 41 Ca -0.03 0.00 -0.45 0.00 3.14 0.00 0.00 58.73 61.39 1i5j h TYR 41 Cb 1.28 0.00 0.17 0.00 1.54 0.00 0.00 36.73 39.72 1i5j h TYR 41 CO 0.04 0.00 0.14 -0.51 -1.64 0.00 0.00 178.16 176.19 1i5j s LEU 42 N -5.91 1.40 0.00 2.82 1.43 -1.11 -4.87 118.68 112.45 1i5j s LEU 42 Ca -0.04 1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1i5j s LEU 42 Cb 0.11 -3.41 -0.19 0.00 0.03 0.00 0.00 46.19 42.72 1i5j s LEU 42 CO 0.33 -3.44 3.05 -0.81 0.23 0.00 0.00 176.35 175.71 1i5j n PRO 43 N -4.39 1.64 -3.74 1.29 -0.04 -1.26 -4.70 135.00 123.80 1i5j n PRO 43 Ca 0.05 -0.71 -0.27 0.00 -0.04 0.00 0.00 63.50 62.53 1i5j n PRO 43 Cb 0.56 -1.74 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.29 -2.30 -0.09 0.55 0.00 -1.26 -4.83 120.51 114.87 1i5j n ALA 44 Ca 0.30 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1i5j n ALA 44 Cb 0.77 -3.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.13 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 -1.84 1.30 -0.27 0.00 2.07 -1.90 0.16 116.25 115.77 1i5j h VAL 45 Ca -0.64 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.38 1i5j h VAL 45 Cb 1.36 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1i5j h VAL 45 CO 0.53 0.46 -0.11 -0.78 0.02 0.00 0.00 177.57 177.69 1i5j h ASP 46 N 0.42 0.42 0.08 0.57 3.58 -1.92 -2.28 116.42 117.30 1i5j h ASP 46 Ca 0.05 -0.10 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 1i5j h ASP 46 Cb 0.83 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.78 1i5j h ASP 46 CO 0.07 0.57 -0.60 -0.33 -2.88 0.00 0.00 179.24 176.07 1i5j h GLU 47 N 0.41 0.17 -0.26 0.28 3.07 -1.66 0.86 114.58 117.45 1i5j h GLU 47 Ca 0.08 -0.29 0.08 0.00 -0.50 0.00 0.00 59.36 58.73 1i5j h GLU 47 Cb 0.45 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1i5j h GLU 47 CO 0.03 1.14 0.33 -0.22 -1.40 0.00 0.00 179.01 178.89 1i5j h LYS 48 N -0.63 0.00 0.00 2.33 1.63 -0.62 0.14 116.57 119.42 1i5j h LYS 48 Ca -0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1i5j h LYS 48 Cb 1.40 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1i5j h LYS 48 CO 0.07 0.00 -1.58 1.28 -3.45 0.00 0.00 179.45 175.76 1i5j n LEU 49 N -3.61 0.18 -3.16 5.20 4.77 -0.86 -4.88 117.00 114.63 1i5j n LEU 49 Ca 0.04 -0.11 0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1i5j n LEU 49 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1i5j n LEU 49 CO 0.25 0.04 0.12 -0.13 -1.33 0.00 0.00 177.39 176.35 1i5j s ARG 50 N -3.09 0.62 0.04 3.23 0.52 0.46 -5.01 118.95 115.72 1i5j s ARG 50 Ca -0.04 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1i5j s ARG 50 Cb 0.12 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.77 1i5j s ARG 50 CO 0.73 -1.04 0.00 -3.47 0.02 0.00 0.00 175.30 171.53 1i5j n ASP 51 N 5.02 -0.34 -0.31 0.23 2.03 -0.95 -3.92 116.55 118.32 1i5j n ASP 51 Ca 0.07 0.08 0.22 0.00 0.52 0.00 0.00 54.79 55.68 1i5j n ASP 51 Cb 0.55 0.73 0.51 0.00 -0.72 0.00 0.00 41.12 42.20 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1i5j h LEU 52 N 0.00 0.43 0.58 -2.67 -0.00 -1.95 0.58 115.31 112.28 1i5j h LEU 52 Ca 0.00 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1i5j h LEU 52 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1i5j h LEU 52 CO 0.00 0.10 -0.28 0.22 -0.00 0.00 0.00 178.44 178.49 1i5j h TYR 53 N 0.39 -0.72 -0.22 0.17 3.20 -1.95 -2.64 116.97 115.21 1i5j h TYR 53 Ca 0.57 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1i5j h TYR 53 Cb 1.45 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.96 1i5j h TYR 53 CO -0.00 -0.39 0.00 0.43 -1.64 0.00 0.00 178.16 176.56 1i5j n SER 54 N -5.35 1.89 -0.00 -2.11 7.64 -0.53 -2.95 113.62 112.21 1i5j n SER 54 Ca -0.12 -2.14 0.04 0.00 1.01 0.00 0.00 58.87 57.66 1i5j n SER 54 Cb 0.34 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.20 3.11 -0.00 1.43 4.81 0.19 -2.95 118.16 124.97 1i5j n LYS 55 Ca 0.09 -0.02 0.01 0.00 -0.87 0.00 0.00 58.31 57.51 1i5j n LYS 55 Cb 0.37 -0.98 -0.01 0.00 0.02 0.00 0.00 35.03 34.43 1i5j n LYS 55 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1i5j n SER 56 N -1.37 0.53 -0.04 3.14 3.41 -1.01 -3.90 113.62 114.38 1i5j n SER 56 Ca 0.01 -0.49 0.04 0.00 -0.26 0.00 0.00 58.87 58.17 1i5j n SER 56 Cb 0.16 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.08 1i5j n SER 56 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1i5j n THR 57 N -1.09 0.00 0.00 6.66 5.66 -1.15 -4.38 114.28 119.97 1i5j n THR 57 Ca 0.00 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1i5j n THR 57 Cb 0.03 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 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 -1.01 2.93 0.14 1.79 0.00 -1.26 -4.18 120.51 118.93 1i5j n ALA 58 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1i5j n ALA 58 Cb 0.15 0.01 0.47 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.45 0.96 0.00 0.00 0.00 -1.15 -0.71 120.51 117.16 1i5j n ALA 59 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1i5j n ALA 59 Cb 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1i5j n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j n MET 60 N -2.12 0.00 0.01 0.00 0.00 -1.25 -4.69 117.12 109.07 1i5j n MET 60 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.51 1i5j n MET 60 Cb 0.08 -0.77 -0.10 0.00 0.00 0.00 0.00 33.22 32.42 1i5j n MET 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1i5j h SER 61 N 0.00 0.70 0.51 3.17 0.87 -1.74 -3.18 113.55 113.88 1i5j h SER 61 Ca 0.00 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 1i5j h SER 61 Cb 0.66 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1i5j h SER 61 CO 0.00 1.33 0.00 0.41 -0.53 0.00 0.00 176.83 178.04 1i5j n THR 62 N -4.08 0.69 0.12 2.23 -1.04 0.11 -2.66 114.28 109.65 1i5j n THR 62 Ca -0.10 0.17 -0.01 0.00 -2.04 0.00 0.00 64.05 62.07 1i5j n THR 62 Cb 0.74 -0.87 0.23 0.00 -1.82 0.00 0.00 70.33 68.60 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 0.16 -0.14 -1.42 5.03 -1.58 -2.35 116.97 116.67 1i5j h TYR 63 Ca 0.00 -0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.30 1i5j h TYR 63 Cb 0.25 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1i5j h TYR 63 CO 0.00 0.59 0.23 1.79 -1.32 0.00 0.00 178.16 179.45 1i5j h THR 64 N 0.11 0.29 0.00 1.81 1.35 -1.67 0.58 112.91 115.38 1i5j h THR 64 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.86 1i5j h THR 64 Cb 0.88 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1i5j h THR 64 CO 0.07 0.00 -1.50 0.61 -0.25 0.00 0.00 175.52 174.45 1i5j n GLY 65 N -1.33 -1.23 0.08 5.82 0.00 -0.90 -4.04 105.19 103.59 1i5j n GLY 65 Ca 0.01 -0.37 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.01 -0.61 2.08 0.13 -3.26 119.36 115.24 1i5j n ILE 66 Ca -0.02 -0.04 -0.12 0.00 0.56 0.00 0.00 62.75 63.12 1i5j n ILE 66 Cb 0.57 0.58 -0.08 0.00 -0.75 0.00 0.00 39.64 39.96 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 0.38 0.03 0.00 1.39 3.57 -0.24 -3.14 116.94 118.92 1i5j h PHE 67 Ca 0.00 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.23 1i5j h PHE 67 Cb 0.52 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1i5j h PHE 67 CO 0.00 0.20 -1.78 2.41 -2.23 0.00 0.00 178.31 176.90 1i5j n THR 68 N -4.99 1.43 0.23 4.41 -1.04 -1.26 -4.09 114.28 108.97 1i5j n THR 68 Ca -0.07 -0.78 0.18 0.00 -2.04 0.00 0.00 64.05 61.34 1i5j n THR 68 Cb 0.11 -0.83 0.86 0.00 -1.82 0.00 0.00 70.33 68.66 1i5j n THR 68 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1i5j h ASP 69 N 0.00 0.00 -0.06 8.00 3.32 -1.61 0.38 116.42 126.45 1i5j h ASP 69 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1i5j h ASP 69 Cb 1.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1i5j h ASP 69 CO 0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1i5j n GLN 70 N -3.55 1.64 0.00 3.56 10.64 -1.19 -3.32 117.38 125.16 1i5j n GLN 70 Ca 0.01 -0.94 0.00 0.00 -1.83 0.00 0.00 57.00 54.24 1i5j n GLN 70 Cb 0.34 -1.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 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 0.14 0.00 0.07 -0.39 0.31 0.13 -3.95 118.33 114.64 1i5j n VAL 71 Ca 0.18 0.39 0.20 0.00 -0.01 0.00 0.00 64.34 65.11 1i5j n VAL 71 Cb 0.33 -1.39 0.74 0.00 -0.91 0.00 0.00 33.84 32.61 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 0.00 0.00 -0.82 7.52 -0.00 -1.73 1.41 115.31 121.69 1i5j h LEU 72 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 1i5j h LEU 72 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1i5j h LEU 72 CO 0.00 0.00 -0.59 0.28 -0.00 0.00 0.00 178.44 178.13 1i5j h SER 73 N 0.00 0.01 0.00 0.17 0.02 -1.78 0.85 113.55 112.81 1i5j h SER 73 Ca 0.21 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1i5j h SER 73 Cb 1.03 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1i5j h SER 73 CO -0.00 0.59 -1.97 0.52 -1.14 0.00 0.00 176.83 174.84 1i5j n VAL 74 N -3.84 0.07 -0.07 2.27 0.31 0.20 -3.60 118.33 113.67 1i5j n VAL 74 Ca -0.01 -0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 63.70 1i5j n VAL 74 Cb 0.59 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.46 1i5j n VAL 74 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i5j h LEU 75 N 0.00 0.40 0.00 7.52 3.38 0.16 -3.45 115.31 123.32 1i5j h LEU 75 Ca -0.03 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1i5j h LEU 75 Cb 1.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1i5j h LEU 75 CO 0.00 0.71 0.00 0.29 0.09 0.00 0.00 178.44 179.53 1i5j n LYS 76 N -4.59 0.00 -2.65 1.13 4.01 -1.13 -5.06 118.16 109.86 1i5j n LYS 76 Ca -0.05 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.72 1i5j n LYS 76 Cb 0.31 -0.02 -0.00 0.00 -0.51 0.00 0.00 35.03 34.81 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i5j n GLY 77 N 1.80 -1.09 1.61 0.72 0.00 -1.16 -4.99 105.19 102.08 1i5j n GLY 77 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.32 -0.50 0.00 1.61 2.13 0.16 -4.89 120.64 118.82 1i5j n GLU 78 Ca -0.26 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1i5j n GLU 78 Cb 0.65 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81