#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 -3.70 -0.00 4.78 7.35 -1.26 -4.84 117.46 119.79 1i5j n PHE 14 Ca 0.00 1.02 -0.19 0.00 -0.76 0.00 0.00 57.45 57.52 1i5j n PHE 14 Cb 0.00 2.60 -0.14 0.00 0.35 0.00 0.00 39.48 42.30 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 0.29 -1.14 -2.13 3.38 -2.06 -3.32 115.31 110.33 1i5j h LEU 15 Ca 0.00 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.97 1i5j h LEU 15 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1i5j h LEU 15 CO 0.00 1.34 -0.42 0.74 0.09 0.00 0.00 178.44 180.18 1i5j h THR 16 N -0.58 1.27 0.00 0.22 2.02 -1.99 -2.44 112.91 111.40 1i5j h THR 16 Ca -0.15 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1i5j h THR 16 Cb 1.46 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 1i5j h THR 16 CO 0.06 0.42 0.00 -0.61 0.37 0.00 0.00 175.52 175.76 1i5j h GLN 17 N 0.00 0.00 0.00 6.66 4.15 -1.89 -2.12 115.11 121.91 1i5j h GLN 17 Ca -0.00 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.05 1i5j h GLN 17 Cb 0.77 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.39 1i5j h GLN 17 CO 0.06 0.00 -2.40 0.28 -1.93 0.00 0.00 178.83 174.84 1i5j n VAL 18 N -2.42 1.40 0.33 2.39 0.31 -0.95 -3.94 118.33 115.45 1i5j n VAL 18 Ca 0.00 -0.67 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 1i5j n VAL 18 Cb 0.16 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 1i5j n VAL 18 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1i5j h LYS 19 N 0.00 -0.84 0.00 5.55 1.63 -1.21 0.21 116.57 121.90 1i5j h LYS 19 Ca -0.55 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1i5j h LYS 19 Cb 2.02 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.84 1i5j h LYS 19 CO -0.04 -0.56 0.07 0.93 -3.45 0.00 0.00 179.45 176.41 1i5j h GLU 20 N -1.08 0.00 0.00 1.90 5.08 -1.65 0.15 114.58 118.99 1i5j h GLU 20 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1i5j h GLU 20 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1i5j h GLU 20 CO 0.15 0.00 -0.05 1.03 -1.00 0.00 0.00 179.01 179.14 1i5j h SER 21 N 0.00 0.00 -0.11 1.42 0.87 -1.61 -2.37 113.55 111.75 1i5j h SER 21 Ca 0.00 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1i5j h SER 21 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1i5j h SER 21 CO 0.00 0.66 0.02 0.25 -0.53 0.00 0.00 176.83 177.23 1i5j h LEU 22 N -1.00 0.25 -0.16 2.23 5.85 -0.14 0.39 115.31 122.73 1i5j h LEU 22 Ca -0.01 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1i5j h LEU 22 Cb 0.30 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1i5j h LEU 22 CO -0.00 0.29 -0.10 0.28 -0.34 0.00 0.00 178.44 178.56 1i5j h SER 23 N 0.28 0.37 0.39 1.25 0.02 -0.84 -2.88 113.55 112.14 1i5j h SER 23 Ca 0.07 -0.43 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 1i5j h SER 23 Cb 0.16 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1i5j h SER 23 CO 0.00 0.72 -0.41 0.28 -1.14 0.00 0.00 176.83 176.29 1i5j h SER 24 N 0.02 0.03 -0.71 3.07 0.02 -0.89 0.80 113.55 115.89 1i5j h SER 24 Ca 0.03 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.08 1i5j h SER 24 Cb 0.60 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1i5j h SER 24 CO 0.03 0.43 0.47 0.22 -1.14 0.00 0.00 176.83 176.84 1i5j h TYR 25 N 0.02 0.57 0.00 3.45 3.20 -0.03 -1.59 116.97 122.59 1i5j h TYR 25 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1i5j h TYR 25 Cb 0.73 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1i5j h TYR 25 CO 0.00 0.26 -1.51 1.87 -1.64 0.00 0.00 178.16 177.14 1i5j n TRP 26 N -4.49 0.00 -0.14 -3.82 -0.00 -0.90 -4.21 117.44 103.88 1i5j n TRP 26 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.53 1i5j n TRP 26 Cb 0.40 -0.28 -0.00 0.00 -0.00 0.00 0.00 31.31 31.42 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 0.64 -0.38 5.87 4.22 0.16 0.30 114.58 125.39 1i5j h GLU 27 Ca 0.00 -0.13 -0.13 0.00 0.08 0.00 0.00 59.36 59.19 1i5j h GLU 27 Cb 0.67 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1i5j h GLU 27 CO 0.00 0.61 -0.27 1.03 -2.18 0.00 0.00 179.01 178.20 1i5j h SER 28 N 0.54 0.82 -0.14 1.04 0.87 -1.61 0.34 113.55 115.42 1i5j h SER 28 Ca 0.14 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1i5j h SER 28 Cb 0.22 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1i5j h SER 28 CO -0.01 1.05 -0.04 0.00 -0.53 0.00 0.00 176.83 177.30 1i5j h ALA 29 N 1.01 1.44 0.00 6.23 0.00 -1.64 0.41 119.26 126.70 1i5j h ALA 29 Ca 0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1i5j h ALA 29 Cb 0.81 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1i5j h ALA 29 CO 0.07 0.40 -0.75 -0.22 0.00 0.00 0.00 179.25 178.74 1i5j h LYS 30 N 0.40 0.00 0.17 0.00 3.64 0.18 -2.83 116.57 118.13 1i5j h LYS 30 Ca 0.09 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1i5j h LYS 30 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1i5j h LYS 30 CO 0.01 0.75 -0.08 1.15 -2.27 0.00 0.00 179.45 179.01 1i5j h THR 31 N 0.00 0.64 -0.19 1.00 2.02 0.78 -2.17 112.91 114.99 1i5j h THR 31 Ca -0.01 -1.11 0.05 0.00 0.77 0.00 0.00 66.41 66.12 1i5j h THR 31 Cb 1.53 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1i5j h THR 31 CO 0.10 0.18 0.25 0.00 0.37 0.00 0.00 175.52 176.42 1i5j h ALA 32 N -0.54 1.74 0.03 6.16 0.00 -0.35 0.29 119.26 126.59 1i5j h ALA 32 Ca -0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1i5j h ALA 32 Cb 0.47 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1i5j h ALA 32 CO 0.04 -0.34 -1.03 0.00 0.00 0.00 0.00 179.25 177.91 1i5j h ALA 33 N 1.68 0.24 -0.98 0.00 0.00 -1.46 -2.68 119.26 116.06 1i5j h ALA 33 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 54.91 54.35 1i5j h ALA 33 Cb 0.59 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1i5j h ALA 33 CO -0.00 0.78 0.63 0.37 0.00 0.00 0.00 179.25 181.03 1i5j h GLN 34 N 0.26 1.05 0.10 0.00 5.75 0.25 0.88 115.11 123.41 1i5j h GLN 34 Ca -0.11 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1i5j h GLN 34 Cb 1.68 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 30.00 1i5j h GLN 34 CO 0.19 0.69 -0.05 -0.97 -2.65 0.00 0.00 178.83 176.04 1i5j h ASN 35 N 1.08 -0.11 0.56 -0.69 -0.73 -1.51 0.52 115.58 114.70 1i5j h ASN 35 Ca 0.44 -0.41 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 1i5j h ASN 35 Cb 0.27 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 1i5j h ASN 35 CO -0.19 0.39 -0.11 0.25 -0.37 0.00 0.00 177.43 177.40 1i5j h LEU 36 N -0.66 0.00 -0.76 0.34 6.46 -1.10 1.68 115.31 121.27 1i5j h LEU 36 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1i5j h LEU 36 Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1i5j h LEU 36 CO 0.02 0.11 -0.28 -1.22 -0.62 0.00 0.00 178.44 176.46 1i5j n TYR 37 N -3.44 0.00 0.00 1.25 4.02 0.30 -3.79 117.16 115.51 1i5j n TYR 37 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1i5j n TYR 37 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1i5j n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1i5j n GLU 38 N -0.27 0.23 -0.08 -0.72 0.00 0.18 -4.64 120.64 115.33 1i5j n GLU 38 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.06 1i5j n GLU 38 Cb 0.26 -0.56 -0.09 0.00 0.00 0.00 0.00 31.44 31.05 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1i5j h LYS 39 N 0.00 0.00 0.00 5.31 1.79 0.11 -3.37 116.57 120.42 1i5j h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1i5j h LYS 39 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1i5j h LYS 39 CO 0.00 0.77 -0.33 2.41 -1.08 0.00 0.00 179.45 181.22 1i5j n THR 40 N -4.54 0.08 0.00 -0.16 -1.04 0.49 -3.26 114.28 105.86 1i5j n THR 40 Ca -0.19 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1i5j n THR 40 Cb 0.50 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1i5j n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i5j n TYR 41 N -1.63 0.00 -0.07 -1.42 9.36 -1.25 -4.66 117.16 117.49 1i5j n TYR 41 Ca 0.06 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.14 1i5j n TYR 41 Cb 0.36 -0.13 -0.05 0.00 -0.63 0.00 0.00 39.34 38.89 1i5j n TYR 41 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1i5j n LEU 42 N -0.88 1.38 -2.12 2.98 4.32 -1.26 -4.71 117.00 116.71 1i5j n LEU 42 Ca 0.00 0.13 -0.06 0.00 -0.02 0.00 0.00 56.01 56.06 1i5j n LEU 42 Cb 0.00 -0.43 -0.08 0.00 -1.62 0.00 0.00 43.42 41.29 1i5j n LEU 42 CO 0.00 0.38 1.04 -2.65 -1.22 0.00 0.00 177.39 174.94 1i5j n PRO 43 N -3.49 1.05 -0.32 3.23 -0.02 -1.25 -2.75 135.00 131.45 1i5j n PRO 43 Ca -0.27 -0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 60.73 1i5j n PRO 43 Cb 0.71 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1i5j n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i5j n ALA 44 N 2.54 1.01 -1.07 3.55 0.00 -1.20 -4.72 120.51 120.62 1i5j n ALA 44 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1i5j n ALA 44 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 0.00 -2.90 0.00 0.31 -1.11 -4.93 118.33 109.69 1i5j n VAL 45 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1i5j n VAL 45 Cb 0.28 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 0.00 -7.43 0.00 4.52 9.92 -1.26 -3.52 116.55 118.78 1i5j n ASP 46 Ca 0.00 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 1i5j n ASP 46 Cb 0.00 -3.88 0.00 0.00 -0.64 0.00 0.00 41.12 36.60 1i5j n ASP 46 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1i5j n GLU 47 N 0.95 0.00 -0.53 -1.24 4.07 -1.26 -4.03 120.64 118.60 1i5j n GLU 47 Ca -0.00 0.00 0.43 0.00 -0.06 0.00 0.00 57.16 57.53 1i5j n GLU 47 Cb 0.20 0.00 0.72 0.00 -0.06 0.00 0.00 31.44 32.29 1i5j n GLU 47 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1i5j h LYS 48 N 0.00 0.02 0.00 5.31 1.57 -2.01 0.72 116.57 122.18 1i5j h LYS 48 Ca 0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1i5j h LYS 48 Cb 0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1i5j h LYS 48 CO 0.00 0.01 -1.32 1.28 -0.57 0.00 0.00 179.45 178.85 1i5j n LEU 49 N -4.51 0.00 -0.44 2.94 4.77 -1.23 -4.52 117.00 114.01 1i5j n LEU 49 Ca 0.41 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 1i5j n LEU 49 Cb 1.66 0.03 0.21 0.00 -2.33 0.00 0.00 43.42 43.00 1i5j n LEU 49 CO 0.26 0.03 0.66 -1.14 -1.33 0.00 0.00 177.39 175.87 1i5j n ARG 50 N -1.83 1.55 -0.11 3.23 0.63 0.86 -3.82 116.66 117.17 1i5j n ARG 50 Ca -0.03 -0.85 -0.15 0.00 -0.92 0.00 0.00 57.85 55.90 1i5j n ARG 50 Cb 0.28 -1.25 -0.11 0.00 0.45 0.00 0.00 32.46 31.84 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 0.15 2.08 0.19 6.15 8.00 0.22 -3.27 116.55 130.06 1i5j n ASP 51 Ca 0.11 -0.11 0.18 0.00 0.71 0.00 0.00 54.79 55.68 1i5j n ASP 51 Cb 0.22 -0.24 0.82 0.00 -0.02 0.00 0.00 41.12 41.90 1i5j n ASP 51 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1i5j h LEU 52 N 0.00 0.00 0.00 0.64 -0.00 -1.77 0.70 115.31 114.88 1i5j h LEU 52 Ca -0.51 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.16 1i5j h LEU 52 Cb 1.82 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.44 1i5j h LEU 52 CO -0.07 0.00 -1.70 0.00 -0.00 0.00 0.00 178.44 176.67 1i5j n TYR 53 N -3.67 0.00 0.50 0.17 4.19 -1.26 -3.69 117.16 113.40 1i5j n TYR 53 Ca 0.03 0.00 -0.04 0.00 3.31 0.00 0.00 57.90 61.20 1i5j n TYR 53 Cb 0.40 -0.72 0.05 0.00 0.49 0.00 0.00 39.34 39.57 1i5j n TYR 53 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1i5j n SER 54 N -4.36 2.95 0.00 2.98 2.88 -1.17 -1.77 113.62 115.13 1i5j n SER 54 Ca -0.32 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1i5j n SER 54 Cb 0.68 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1i5j n LYS 55 N 0.12 0.00 -0.05 -1.46 0.00 0.23 -4.40 118.16 112.61 1i5j n LYS 55 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.40 1i5j n LYS 55 Cb 0.71 -0.35 -0.15 0.00 0.00 0.00 0.00 35.03 35.24 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 -1.22 0.22 -0.02 3.14 7.64 -1.18 -2.75 113.62 119.45 1i5j n SER 56 Ca 0.00 0.10 0.05 0.00 1.01 0.00 0.00 58.87 60.03 1i5j n SER 56 Cb 0.00 1.02 -0.13 0.00 -1.01 0.00 0.00 64.21 64.08 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 -2.68 0.23 -0.10 0.44 -1.04 -0.73 -4.08 114.28 106.33 1i5j n THR 57 Ca -0.20 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.05 61.21 1i5j n THR 57 Cb 0.95 -0.04 -0.10 0.00 -1.82 0.00 0.00 70.33 69.31 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 -2.20 1.54 1.60 2.41 0.00 -0.91 -3.22 120.51 119.73 1i5j n ALA 58 Ca -0.08 -0.95 0.09 0.00 0.00 0.00 0.00 53.44 52.51 1i5j n ALA 58 Cb 0.57 -0.01 0.43 0.00 0.00 0.00 0.00 19.45 20.44 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j n ALA 59 N -3.05 2.56 0.00 0.00 0.00 -1.11 -1.95 120.51 116.96 1i5j n ALA 59 Ca -0.36 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1i5j n ALA 59 Cb 0.93 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.21 2.40 -0.03 0.00 2.81 -1.25 -4.65 117.12 116.18 1i5j n MET 60 Ca 0.14 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.07 1i5j n MET 60 Cb 0.19 -0.80 -0.13 0.00 -0.71 0.00 0.00 33.22 31.77 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 -1.20 0.98 0.01 7.83 2.88 -1.20 -4.38 113.62 118.54 1i5j n SER 61 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1i5j n SER 61 Cb 0.19 1.51 0.24 0.00 -0.75 0.00 0.00 64.21 65.40 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 -2.27 0.08 0.18 2.46 -1.04 -0.82 -3.83 114.28 109.04 1i5j n THR 62 Ca -0.11 -0.06 0.03 0.00 -2.04 0.00 0.00 64.05 61.87 1i5j n THR 62 Cb 0.64 0.14 0.35 0.00 -1.82 0.00 0.00 70.33 69.64 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 -0.24 -1.42 5.03 -1.76 -2.44 116.97 116.14 1i5j h TYR 63 Ca 0.00 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.38 1i5j h TYR 63 Cb 0.56 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1i5j h TYR 63 CO 0.00 0.40 0.37 1.15 -1.32 0.00 0.00 178.16 178.76 1i5j h THR 64 N 0.00 0.26 0.00 1.81 2.02 -1.82 1.24 112.91 116.41 1i5j h THR 64 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1i5j h THR 64 Cb 0.76 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1i5j h THR 64 CO 0.05 0.00 -0.52 1.23 0.37 0.00 0.00 175.52 176.65 1i5j h GLY 65 N 0.00 0.00 0.06 2.16 0.00 -1.70 -3.28 103.07 100.31 1i5j h GLY 65 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1i5j h GLY 65 CO -0.00 0.00 -2.05 1.39 0.00 0.00 0.00 176.54 175.88 1i5j n ILE 66 N -3.03 0.40 -0.03 2.60 -0.00 0.34 -3.51 119.36 116.12 1i5j n ILE 66 Ca 0.01 -0.60 -0.11 0.00 -0.00 0.00 0.00 62.75 62.05 1i5j n ILE 66 Cb 0.63 -0.15 -0.05 0.00 -0.00 0.00 0.00 39.64 40.07 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 0.21 0.00 1.39 3.57 0.94 -3.07 116.94 119.98 1i5j h PHE 67 Ca -0.14 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.18 1i5j h PHE 67 Cb 1.32 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1i5j h PHE 67 CO 0.00 0.29 -0.90 1.15 -2.23 0.00 0.00 178.31 176.62 1i5j h THR 68 N 0.07 1.06 -0.31 4.41 2.02 -1.77 -3.29 112.91 115.11 1i5j h THR 68 Ca 0.05 -2.58 0.09 0.00 0.77 0.00 0.00 66.41 64.73 1i5j h THR 68 Cb 0.17 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1i5j h THR 68 CO -0.00 0.60 0.29 0.44 0.37 0.00 0.00 175.52 177.22 1i5j h ASP 69 N 0.00 0.00 -0.53 4.18 5.19 -1.58 0.54 116.42 124.22 1i5j h ASP 69 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1i5j h ASP 69 Cb 1.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.09 1i5j h ASP 69 CO 0.08 0.00 0.00 1.67 -3.12 0.00 0.00 179.24 177.87 1i5j n GLN 70 N -3.98 3.23 -0.04 3.56 -0.06 -1.19 -3.42 117.38 115.49 1i5j n GLN 70 Ca 0.05 -2.32 -0.08 0.00 -2.00 0.00 0.00 57.00 52.65 1i5j n GLN 70 Cb 0.45 -1.78 -0.03 0.00 -4.06 0.00 0.00 30.24 24.82 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 0.87 1.14 -0.15 1.69 0.31 0.18 -4.13 118.33 118.25 1i5j n VAL 71 Ca 0.21 0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.55 1i5j n VAL 71 Cb 0.75 -1.86 0.05 0.00 -0.91 0.00 0.00 33.84 31.86 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 -0.49 0.94 -1.05 7.52 3.38 -1.65 1.26 115.31 125.22 1i5j h LEU 72 Ca -0.13 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1i5j h LEU 72 Cb 0.80 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1i5j h LEU 72 CO -0.08 1.08 0.00 0.77 0.09 0.00 0.00 178.44 180.31 1i5j h SER 73 N 0.82 0.00 0.00 -0.43 4.64 -1.79 1.71 113.55 118.50 1i5j h SER 73 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1i5j h SER 73 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1i5j h SER 73 CO 0.05 0.00 -1.65 0.52 -0.87 0.00 0.00 176.83 174.89 1i5j n VAL 74 N -2.84 0.00 -0.13 0.95 0.31 -0.89 -3.10 118.33 112.62 1i5j n VAL 74 Ca 0.02 -0.35 -0.20 0.00 -0.01 0.00 0.00 64.34 63.80 1i5j n VAL 74 Cb 0.32 0.21 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 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 -2.00 2.76 0.00 7.52 -0.00 0.43 -4.69 117.00 121.02 1i5j n LEU 75 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1i5j n LEU 75 Cb 0.40 -0.87 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1i5j n LEU 75 CO 0.33 0.85 0.14 0.29 -0.00 0.00 0.00 177.39 179.00 1i5j n LYS 76 N -3.44 1.17 -3.29 1.47 4.76 0.21 -5.01 118.16 114.02 1i5j n LYS 76 Ca -0.46 -0.28 -0.17 0.00 -2.87 0.00 0.00 58.31 54.53 1i5j n LYS 76 Cb 0.96 -0.75 0.06 0.00 -1.84 0.00 0.00 35.03 33.46 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 0.25 -0.17 0.03 0.72 0.00 0.52 -4.90 105.19 101.64 1i5j n GLY 77 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.82 2.43 -0.61 1.61 2.13 -0.20 -4.80 120.64 117.38 1i5j n GLU 78 Ca -0.02 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1i5j n GLU 78 Cb 0.55 -1.13 0.00 0.00 0.27 0.00 0.00 31.44 31.14 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81