#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 -3.20 -0.30 4.78 -0.00 -1.26 -4.95 117.46 112.53 1i5j n PHE 14 Ca 0.00 0.69 0.02 0.00 -0.00 0.00 0.00 57.45 58.16 1i5j n PHE 14 Cb 0.00 1.96 0.15 0.00 -0.00 0.00 0.00 39.48 41.59 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 0.76 -2.09 -2.13 8.10 -2.07 -0.15 115.31 117.73 1i5j h LEU 15 Ca 0.00 0.03 0.09 0.00 0.11 0.00 0.00 57.88 58.11 1i5j h LEU 15 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.08 1i5j h LEU 15 CO 0.00 0.47 0.31 0.00 -4.11 0.00 0.00 178.44 175.11 1i5j h THR 16 N 0.88 0.50 -0.26 0.15 1.03 -2.01 -0.78 112.91 112.42 1i5j h THR 16 Ca 0.38 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.74 1i5j h THR 16 Cb 0.25 0.76 -0.01 0.00 -1.07 0.00 0.00 68.15 68.08 1i5j h THR 16 CO -0.20 0.00 0.02 -0.61 -0.01 0.00 0.00 175.52 174.72 1i5j h GLN 17 N 0.00 0.45 -0.76 0.00 4.15 -1.39 -2.75 115.11 114.80 1i5j h GLN 17 Ca 0.15 -0.13 0.12 0.00 0.77 0.00 0.00 58.65 59.56 1i5j h GLN 17 Cb 0.77 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 1i5j h GLN 17 CO -0.00 0.59 0.50 0.28 -1.93 0.00 0.00 178.83 178.27 1i5j h VAL 18 N 0.24 0.88 0.85 2.39 2.07 -1.18 0.14 116.25 121.64 1i5j h VAL 18 Ca 0.08 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1i5j h VAL 18 Cb 0.38 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1i5j h VAL 18 CO 0.01 0.10 -0.41 0.11 0.02 0.00 0.00 177.57 177.41 1i5j h LYS 19 N 0.57 -1.10 0.00 1.57 6.56 -1.41 0.26 116.57 123.02 1i5j h LYS 19 Ca 0.36 0.08 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1i5j h LYS 19 Cb 0.62 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 1i5j h LYS 19 CO -0.13 -0.73 0.00 0.93 -2.06 0.00 0.00 179.45 177.46 1i5j h GLU 20 N -1.25 0.00 0.06 3.15 5.08 -1.21 0.63 114.58 121.05 1i5j h GLU 20 Ca -0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1i5j h GLU 20 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1i5j h GLU 20 CO 0.19 0.00 -0.03 1.03 -1.00 0.00 0.00 179.01 179.20 1i5j h SER 21 N 0.00 -0.07 -0.64 1.42 0.87 -0.18 -2.47 113.55 112.47 1i5j h SER 21 Ca 0.00 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 1i5j h SER 21 Cb 0.02 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1i5j h SER 21 CO 0.00 0.56 0.27 -0.07 -0.53 0.00 0.00 176.83 177.06 1i5j h LEU 22 N -0.99 0.90 -1.18 2.23 3.38 -0.10 -1.99 115.31 117.57 1i5j h LEU 22 Ca -0.01 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1i5j h LEU 22 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1i5j h LEU 22 CO 0.01 0.81 -0.13 0.28 0.09 0.00 0.00 178.44 179.50 1i5j h SER 23 N 0.97 0.40 -0.27 -0.43 0.02 -1.01 -2.29 113.55 110.94 1i5j h SER 23 Ca 0.23 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1i5j h SER 23 Cb 0.19 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1i5j h SER 23 CO -0.02 0.56 -0.00 0.28 -1.14 0.00 0.00 176.83 176.51 1i5j h SER 24 N 0.39 0.55 -0.97 3.07 0.02 -0.87 0.53 113.55 116.28 1i5j h SER 24 Ca 0.07 -0.11 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1i5j h SER 24 Cb 0.46 -0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.76 1i5j h SER 24 CO 0.03 0.63 0.57 0.22 -1.14 0.00 0.00 176.83 177.14 1i5j h TYR 25 N 0.56 1.02 0.00 3.45 5.03 -1.12 -0.82 116.97 125.09 1i5j h TYR 25 Ca 0.12 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1i5j h TYR 25 Cb 0.36 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.33 1i5j h TYR 25 CO 0.01 0.27 -1.42 0.91 -1.32 0.00 0.00 178.16 176.62 1i5j n TRP 26 N -4.76 0.18 -0.32 -3.82 8.01 -0.91 -4.36 117.44 111.47 1i5j n TRP 26 Ca 0.21 0.05 0.10 0.00 -1.31 0.00 0.00 57.50 56.55 1i5j n TRP 26 Cb 0.49 -0.44 0.27 0.00 -2.01 0.00 0.00 31.31 29.62 1i5j n TRP 26 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1i5j h GLU 27 N 0.00 0.64 -0.79 -0.99 5.08 0.16 0.97 114.58 119.64 1i5j h GLU 27 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1i5j h GLU 27 Cb 0.83 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1i5j h GLU 27 CO 0.00 0.42 0.40 1.03 -1.00 0.00 0.00 179.01 179.86 1i5j h SER 28 N 0.66 1.02 -0.22 1.42 0.87 -1.74 0.92 113.55 116.48 1i5j h SER 28 Ca 0.52 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.92 1i5j h SER 28 Cb 0.78 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1i5j h SER 28 CO -0.39 0.86 0.06 0.00 -0.53 0.00 0.00 176.83 176.83 1i5j h ALA 29 N 1.21 1.54 0.00 6.23 0.00 -1.12 -0.62 119.26 126.51 1i5j h ALA 29 Ca 0.27 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1i5j h ALA 29 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1i5j h ALA 29 CO -0.04 0.34 -0.61 0.87 0.00 0.00 0.00 179.25 179.81 1i5j h LYS 30 N 0.43 0.00 -0.07 0.00 1.79 0.07 -3.32 116.57 115.48 1i5j h LYS 30 Ca 0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1i5j h LYS 30 Cb 0.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1i5j h LYS 30 CO -0.00 0.41 -0.01 1.15 -1.08 0.00 0.00 179.45 179.92 1i5j h THR 31 N 0.00 1.28 -0.05 -0.16 2.02 0.23 -2.12 112.91 114.11 1i5j h THR 31 Ca -0.03 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.28 1i5j h THR 31 Cb 1.37 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1i5j h THR 31 CO 0.06 0.25 0.16 0.00 0.37 0.00 0.00 175.52 176.35 1i5j h ALA 32 N 0.68 1.36 0.00 6.16 0.00 -1.40 0.34 119.26 126.40 1i5j h ALA 32 Ca 0.02 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1i5j h ALA 32 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1i5j h ALA 32 CO 0.01 -0.19 -1.08 0.00 0.00 0.00 0.00 179.25 177.99 1i5j h ALA 33 N 1.73 0.57 -0.22 0.00 0.00 -1.55 -3.31 119.26 116.48 1i5j h ALA 33 Ca 0.03 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 53.91 1i5j h ALA 33 Cb 0.34 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1i5j h ALA 33 CO -0.00 1.09 -0.44 1.96 0.00 0.00 0.00 179.25 181.86 1i5j h GLN 34 N 0.00 0.55 0.16 0.00 4.20 0.33 -2.94 115.11 117.41 1i5j h GLN 34 Ca -0.09 -0.30 0.01 0.00 0.06 0.00 0.00 58.65 58.33 1i5j h GLN 34 Cb 1.68 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 1i5j h GLN 34 CO 0.09 0.88 -0.17 -0.97 -0.67 0.00 0.00 178.83 177.99 1i5j h ASN 35 N 0.45 -0.47 -0.24 1.46 -0.73 -1.54 0.95 115.58 115.45 1i5j h ASN 35 Ca 0.03 0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.28 1i5j h ASN 35 Cb 0.95 0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 1i5j h ASN 35 CO 0.08 -0.26 0.16 0.25 -0.37 0.00 0.00 177.43 177.30 1i5j h LEU 36 N -0.37 0.18 -0.34 0.34 6.46 -1.67 0.16 115.31 120.07 1i5j h LEU 36 Ca 0.01 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1i5j h LEU 36 Cb 0.36 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1i5j h LEU 36 CO -0.05 0.12 -0.02 -1.22 -0.62 0.00 0.00 178.44 176.65 1i5j n TYR 37 N -4.50 0.00 -2.44 1.25 4.01 -0.74 -4.89 117.16 109.85 1i5j n TYR 37 Ca 0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1i5j n TYR 37 Cb 0.17 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1i5j n TYR 37 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1i5j n GLU 38 N -0.64 -1.73 -1.64 -0.72 2.13 0.55 -2.58 120.64 116.00 1i5j n GLU 38 Ca 0.20 0.49 -0.13 0.00 0.66 0.00 0.00 57.16 58.38 1i5j n GLU 38 Cb 0.22 -4.50 -0.04 0.00 0.27 0.00 0.00 31.44 27.39 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1i5j n LYS 39 N -2.23 -1.51 0.17 5.31 5.02 0.31 -4.78 118.16 120.44 1i5j n LYS 39 Ca -0.09 0.73 0.12 0.00 -2.02 0.00 0.00 58.31 57.05 1i5j n LYS 39 Cb 0.58 -5.06 0.27 0.00 -0.02 0.00 0.00 35.03 30.80 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 0.00 -0.65 -0.18 2.02 -1.71 -3.27 112.91 109.12 1i5j h THR 40 Ca -0.27 -0.76 0.17 0.00 0.77 0.00 0.00 66.41 66.31 1i5j h THR 40 Cb 0.94 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 1i5j h THR 40 CO 0.38 0.00 0.46 0.22 0.37 0.00 0.00 175.52 176.95 1i5j h TYR 41 N 0.00 0.14 -2.43 3.16 3.20 -1.86 -3.41 116.97 115.76 1i5j h TYR 41 Ca 0.00 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.35 1i5j h TYR 41 Cb 0.88 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.06 1i5j h TYR 41 CO 0.00 0.05 -0.51 -0.48 -1.64 0.00 0.00 178.16 175.58 1i5j s LEU 42 N -8.90 3.98 -0.07 2.82 2.34 -1.23 -5.01 118.68 112.62 1i5j s LEU 42 Ca -0.06 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.05 1i5j s LEU 42 Cb 0.20 -2.55 0.07 0.00 -0.56 0.00 0.00 46.19 43.36 1i5j s LEU 42 CO 0.75 0.01 1.44 -0.81 -1.06 0.00 0.00 176.35 176.68 1i5j n PRO 43 N -0.82 1.17 -2.03 1.48 -0.05 -1.26 -4.78 135.00 128.72 1i5j n PRO 43 Ca -0.08 -0.39 -0.12 0.00 -0.05 0.00 0.00 63.50 62.86 1i5j n PRO 43 Cb 0.56 -1.15 -0.02 0.00 -0.05 0.00 0.00 33.50 32.84 1i5j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1i5j n ALA 44 N 0.63 -0.56 0.00 0.55 0.00 -1.26 -4.68 120.51 115.19 1i5j n ALA 44 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1i5j n ALA 44 Cb 0.60 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.77 0.00 -0.33 0.00 0.31 -1.26 -4.57 118.33 109.71 1i5j n VAL 45 Ca -0.13 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1i5j n VAL 45 Cb 0.53 -0.43 0.27 0.00 -0.91 0.00 0.00 33.84 33.30 1i5j n VAL 45 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1i5j h ASP 46 N 0.00 0.67 0.02 4.52 3.58 -1.94 0.34 116.42 123.61 1i5j h ASP 46 Ca 0.00 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 1i5j h ASP 46 Cb 0.55 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.59 1i5j h ASP 46 CO 0.00 0.26 -0.35 -0.33 -2.88 0.00 0.00 179.24 175.94 1i5j h GLU 47 N 0.71 0.20 -0.85 0.28 5.08 -1.87 0.23 114.58 118.36 1i5j h GLU 47 Ca 0.52 -0.24 0.16 0.00 -1.00 0.00 0.00 59.36 58.80 1i5j h GLU 47 Cb 0.76 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 1i5j h GLU 47 CO -0.37 1.01 0.56 -0.22 -1.00 0.00 0.00 179.01 178.99 1i5j h LYS 48 N -0.51 0.52 0.00 2.33 3.11 -1.62 0.21 116.57 120.62 1i5j h LYS 48 Ca -0.05 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1i5j h LYS 48 Cb 1.15 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 1i5j h LYS 48 CO 0.07 0.35 -0.93 1.47 -2.81 0.00 0.00 179.45 177.60 1i5j n LEU 49 N -4.53 0.66 -3.33 5.20 -0.00 0.11 -4.68 117.00 110.44 1i5j n LEU 49 Ca 0.17 0.13 -0.19 0.00 -0.00 0.00 0.00 56.01 56.12 1i5j n LEU 49 Cb 0.54 -0.11 -0.08 0.00 -0.00 0.00 0.00 43.42 43.77 1i5j n LEU 49 CO 0.31 -0.04 -0.19 -0.60 -0.00 0.00 0.00 177.39 176.87 1i5j s ARG 50 N -3.23 0.72 0.00 1.47 6.06 0.82 -4.91 118.95 119.87 1i5j s ARG 50 Ca 0.03 -1.20 0.00 0.00 -2.50 0.00 0.00 55.73 52.06 1i5j s ARG 50 Cb 0.13 -0.88 0.00 0.00 0.06 0.00 0.00 34.95 34.26 1i5j s ARG 50 CO 0.78 -1.25 0.00 -3.47 -2.50 0.00 0.00 175.30 168.86 1i5j n ASP 51 N 3.81 0.00 -0.28 -2.12 2.03 -0.76 -4.21 116.55 115.02 1i5j n ASP 51 Ca 0.16 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.70 1i5j n ASP 51 Cb 0.45 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.41 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 0.34 0.00 -2.67 8.10 -1.84 0.92 115.31 120.16 1i5j h LEU 52 Ca 0.00 0.05 -0.19 0.00 0.11 0.00 0.00 57.88 57.85 1i5j h LEU 52 Cb 0.00 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1i5j h LEU 52 CO 0.00 0.09 -1.24 0.00 -4.11 0.00 0.00 178.44 173.18 1i5j n TYR 53 N -4.50 0.76 0.81 0.17 9.36 -1.26 -1.49 117.16 121.02 1i5j n TYR 53 Ca 0.23 0.33 -0.01 0.00 3.32 0.00 0.00 57.90 61.76 1i5j n TYR 53 Cb 0.87 -0.95 0.02 0.00 -0.63 0.00 0.00 39.34 38.65 1i5j n TYR 53 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1i5j n SER 54 N -4.46 2.60 0.06 2.98 7.64 -1.01 -1.62 113.62 119.82 1i5j n SER 54 Ca -0.28 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1i5j n SER 54 Cb 0.59 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.27 0.00 -0.22 1.43 4.81 0.31 -4.56 118.16 120.20 1i5j n LYS 55 Ca 0.04 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.55 1i5j n LYS 55 Cb 0.53 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.76 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1i5j n SER 56 N -2.73 2.26 0.00 3.14 7.64 -0.38 -2.38 113.62 121.18 1i5j n SER 56 Ca 0.00 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1i5j n SER 56 Cb 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.72 0.00 -0.08 0.44 -1.04 -0.55 -4.76 114.28 109.01 1i5j n THR 57 Ca 0.14 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.00 1i5j n THR 57 Cb 0.36 -0.28 -0.06 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.23 1.93 0.33 2.41 0.00 -0.64 -3.83 120.51 119.49 1i5j n ALA 58 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.91 1i5j n ALA 58 Cb 0.16 0.27 0.37 0.00 0.00 0.00 0.00 19.45 20.25 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 -3.51 1.46 -0.10 0.00 0.00 -1.09 0.04 120.51 117.32 1i5j n ALA 59 Ca -0.29 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1i5j n ALA 59 Cb 0.73 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.88 0.68 0.05 0.00 0.00 -1.00 -4.19 117.12 110.78 1i5j n MET 60 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 57.70 57.73 1i5j n MET 60 Cb 0.14 -1.56 -0.12 0.00 0.00 0.00 0.00 33.22 31.68 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 0.01 0.45 3.17 0.87 -1.55 -3.20 113.55 113.30 1i5j h SER 61 Ca -0.53 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1i5j h SER 61 Cb 2.10 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 1i5j h SER 61 CO 0.00 1.01 0.00 0.41 -0.53 0.00 0.00 176.83 177.72 1i5j n THR 62 N -3.30 0.48 0.12 2.23 -1.04 0.11 -2.78 114.28 110.09 1i5j n THR 62 Ca -0.03 0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 62.09 1i5j n THR 62 Cb 0.96 -0.79 0.22 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.15 -0.24 -1.42 5.03 -1.72 -2.51 116.97 116.26 1i5j h TYR 63 Ca 0.00 -0.05 0.07 0.00 2.58 0.00 0.00 58.73 61.33 1i5j h TYR 63 Cb 0.23 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 1i5j h TYR 63 CO 0.00 0.59 0.32 1.15 -1.32 0.00 0.00 178.16 178.91 1i5j h THR 64 N 0.10 0.33 0.00 1.81 2.02 -1.73 0.77 112.91 116.21 1i5j h THR 64 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1i5j h THR 64 Cb 0.91 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1i5j h THR 64 CO 0.07 0.00 -1.31 0.61 0.37 0.00 0.00 175.52 175.26 1i5j n GLY 65 N -1.40 -1.30 0.04 2.16 0.00 -0.95 -3.85 105.19 99.88 1i5j n GLY 65 Ca 0.03 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.71 0.20 -0.09 -0.61 2.08 0.23 -3.96 119.36 114.50 1i5j n ILE 66 Ca -0.05 -0.14 -0.11 0.00 0.56 0.00 0.00 62.75 63.01 1i5j n ILE 66 Cb 0.68 -0.10 -0.04 0.00 -0.75 0.00 0.00 39.64 39.44 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 0.45 0.00 1.39 3.57 -0.64 -2.72 116.94 118.99 1i5j h PHE 67 Ca 0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1i5j h PHE 67 Cb 0.62 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1i5j h PHE 67 CO 0.00 0.52 -0.01 1.15 -2.23 0.00 0.00 178.31 177.74 1i5j h THR 68 N 0.26 0.15 -0.57 4.41 2.02 -1.76 -2.64 112.91 114.78 1i5j h THR 68 Ca 0.08 -0.08 0.16 0.00 0.77 0.00 0.00 66.41 67.35 1i5j h THR 68 Cb 0.30 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1i5j h THR 68 CO 0.00 0.01 0.42 0.44 0.37 0.00 0.00 175.52 176.76 1i5j h ASP 69 N 0.00 0.00 -0.36 4.18 5.19 -1.68 0.40 116.42 124.15 1i5j h ASP 69 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1i5j h ASP 69 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1i5j h ASP 69 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1i5j n GLN 70 N -4.31 2.20 -0.04 3.56 -0.00 -0.99 -2.97 117.38 114.81 1i5j n GLN 70 Ca 0.11 -1.82 -0.21 0.00 -0.00 0.00 0.00 57.00 55.08 1i5j n GLN 70 Cb 0.65 -1.45 -0.13 0.00 -0.00 0.00 0.00 30.24 29.31 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1i5j n VAL 71 N 1.02 1.68 0.16 -0.39 0.31 0.14 -3.59 118.33 117.66 1i5j n VAL 71 Ca 0.18 -0.58 0.11 0.00 -0.01 0.00 0.00 64.34 64.04 1i5j n VAL 71 Cb 0.48 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 1i5j n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5j n LEU 72 N -3.51 0.62 0.13 7.52 -0.00 -1.15 -0.80 117.00 119.81 1i5j n LEU 72 Ca -0.36 0.20 0.13 0.00 -0.00 0.00 0.00 56.01 55.98 1i5j n LEU 72 Cb 1.00 -0.06 0.40 0.00 -0.00 0.00 0.00 43.42 44.77 1i5j n LEU 72 CO 0.35 -0.11 0.88 -1.28 -0.00 0.00 0.00 177.39 177.23 1i5j h SER 73 N 0.00 0.00 0.00 1.45 0.87 -1.72 0.80 113.55 114.96 1i5j h SER 73 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1i5j h SER 73 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1i5j h SER 73 CO 0.00 0.00 -0.49 0.52 -0.53 0.00 0.00 176.83 176.33 1i5j n VAL 74 N -2.39 0.00 0.05 2.23 0.31 -1.24 -2.20 118.33 115.10 1i5j n VAL 74 Ca 0.05 -0.11 0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1i5j n VAL 74 Cb 0.41 0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 33.87 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 -0.95 0.05 -0.00 7.52 4.77 0.02 -4.67 117.00 123.74 1i5j n LEU 75 Ca 0.00 -0.26 0.07 0.00 -0.03 0.00 0.00 56.01 55.79 1i5j n LEU 75 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1i5j n LEU 75 CO 0.00 0.01 -0.09 0.29 -1.33 0.00 0.00 177.39 176.27 1i5j n LYS 76 N -1.30 2.24 0.00 3.23 5.02 -0.57 -4.95 118.16 121.83 1i5j n LYS 76 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1i5j n LYS 76 Cb 0.04 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.36 0.92 3.11 0.72 0.00 -1.01 -4.77 105.19 105.52 1i5j n GLY 77 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.71 0.00 1.61 0.00 -0.93 -4.96 120.64 113.64 1i5j n GLU 78 Ca 0.00 0.79 0.14 0.00 0.00 0.00 0.00 57.16 58.09 1i5j n GLU 78 Cb 0.00 -5.46 0.54 0.00 0.00 0.00 0.00 31.44 26.52 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52