#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 -0.04 4.78 7.35 -1.26 -4.66 117.46 123.64 1i5j n PHE 14 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1i5j n PHE 14 Cb 0.00 -0.41 -0.13 0.00 0.35 0.00 0.00 39.48 39.29 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 0.17 -1.85 -2.13 3.38 -2.07 -3.31 115.31 109.50 1i5j h LEU 15 Ca 0.00 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 1i5j h LEU 15 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1i5j h LEU 15 CO 0.00 1.27 -0.14 0.00 0.09 0.00 0.00 178.44 179.66 1i5j h THR 16 N -0.75 0.74 -0.28 0.22 1.03 -2.02 -2.22 112.91 109.63 1i5j h THR 16 Ca -0.14 -0.55 -0.07 0.00 -0.01 0.00 0.00 66.41 65.64 1i5j h THR 16 Cb 1.32 1.34 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 1i5j h THR 16 CO 0.01 0.14 -0.11 1.56 -0.01 0.00 0.00 175.52 177.10 1i5j h GLN 17 N 0.00 0.46 -0.45 0.00 1.08 -1.93 -2.71 115.11 111.56 1i5j h GLN 17 Ca -0.00 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 56.93 1i5j h GLN 17 Cb 0.32 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1i5j h GLN 17 CO 0.02 0.58 -0.28 0.28 -0.95 0.00 0.00 178.83 178.48 1i5j h VAL 18 N 0.43 1.27 0.84 -0.54 2.07 -1.48 -2.13 116.25 116.71 1i5j h VAL 18 Ca 0.08 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1i5j h VAL 18 Cb 0.46 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1i5j h VAL 18 CO 0.03 0.49 -0.41 0.50 0.02 0.00 0.00 177.57 178.20 1i5j h LYS 19 N 0.82 -1.09 0.00 1.57 3.11 -1.51 -0.48 116.57 118.99 1i5j h LYS 19 Ca 0.09 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1i5j h LYS 19 Cb 0.86 0.25 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1i5j h LYS 19 CO 0.08 -0.72 0.07 0.93 -2.81 0.00 0.00 179.45 177.00 1i5j h GLU 20 N -1.24 0.00 0.08 1.90 5.08 -1.55 0.18 114.58 119.02 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 -0.04 1.03 -1.00 0.00 0.00 179.01 179.19 1i5j h SER 21 N 0.00 -0.09 -0.10 1.42 0.87 -0.75 -0.66 113.55 114.24 1i5j h SER 21 Ca 0.00 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1i5j h SER 21 Cb 0.15 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1i5j h SER 21 CO 0.00 0.48 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.61 1i5j h LEU 22 N -1.01 0.40 -0.22 2.23 3.38 -0.67 -2.27 115.31 117.16 1i5j h LEU 22 Ca -0.01 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1i5j h LEU 22 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i5j h LEU 22 CO 0.02 0.54 -0.57 -1.28 0.09 0.00 0.00 178.44 177.24 1i5j h SER 23 N 0.39 0.88 -0.42 -0.43 0.87 -0.78 -3.09 113.55 110.97 1i5j h SER 23 Ca 0.08 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1i5j h SER 23 Cb 0.42 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1i5j h SER 23 CO 0.02 1.30 0.27 0.28 -0.53 0.00 0.00 176.83 178.17 1i5j h SER 24 N 0.51 0.49 -0.97 6.23 0.02 -0.76 1.09 113.55 120.15 1i5j h SER 24 Ca -0.01 -0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.09 1i5j h SER 24 Cb 1.19 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.52 1i5j h SER 24 CO 0.12 0.36 0.61 0.22 -1.14 0.00 0.00 176.83 177.00 1i5j h TYR 25 N 0.57 0.98 0.00 3.45 3.20 -1.33 0.17 116.97 124.01 1i5j h TYR 25 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1i5j h TYR 25 Cb -0.06 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1i5j h TYR 25 CO 0.00 0.29 -1.57 0.91 -1.64 0.00 0.00 178.16 176.16 1i5j n TRP 26 N -4.65 0.00 0.05 -3.82 8.01 -0.53 -4.30 117.44 112.20 1i5j n TRP 26 Ca 0.21 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.28 1i5j n TRP 26 Cb 0.51 -0.30 -0.01 0.00 -2.01 0.00 0.00 31.31 29.51 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 1i5j h GLU 27 N 0.00 0.45 -0.58 -0.99 4.81 0.25 -2.71 114.58 115.81 1i5j h GLU 27 Ca 0.00 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 58.75 1i5j h GLU 27 Cb 0.76 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1i5j h GLU 27 CO 0.00 1.05 0.08 1.03 -0.73 0.00 0.00 179.01 180.45 1i5j h SER 28 N 0.29 0.93 -0.53 1.04 0.87 -0.92 0.80 113.55 116.02 1i5j h SER 28 Ca -0.05 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 1i5j h SER 28 Cb 1.42 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 1i5j h SER 28 CO 0.14 0.96 0.28 0.00 -0.53 0.00 0.00 176.83 177.68 1i5j h ALA 29 N 1.00 1.45 0.00 6.23 0.00 -1.74 -0.51 119.26 125.70 1i5j h ALA 29 Ca 0.17 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1i5j h ALA 29 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1i5j h ALA 29 CO 0.01 0.45 -0.62 0.87 0.00 0.00 0.00 179.25 179.96 1i5j h LYS 30 N 0.78 0.00 -0.46 0.00 1.79 -1.05 -3.26 116.57 114.38 1i5j h LYS 30 Ca 0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1i5j h LYS 30 Cb 0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1i5j h LYS 30 CO -0.03 0.62 0.17 1.15 -1.08 0.00 0.00 179.45 180.28 1i5j h THR 31 N 0.00 1.21 -0.10 -0.16 2.02 0.22 -1.54 112.91 114.56 1i5j h THR 31 Ca -0.01 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.53 1i5j h THR 31 Cb 1.36 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1i5j h THR 31 CO 0.08 0.25 0.20 0.00 0.37 0.00 0.00 175.52 176.41 1i5j h ALA 32 N 1.02 1.51 0.11 6.16 0.00 -1.42 0.38 119.26 127.02 1i5j h ALA 32 Ca 0.15 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1i5j h ALA 32 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i5j h ALA 32 CO -0.01 -0.25 -1.46 0.00 0.00 0.00 0.00 179.25 177.53 1i5j h ALA 33 N 1.71 0.25 -0.04 0.00 0.00 -1.43 -3.14 119.26 116.61 1i5j h ALA 33 Ca 0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 1i5j h ALA 33 Cb 0.44 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1i5j h ALA 33 CO -0.00 1.12 -0.00 1.96 0.00 0.00 0.00 179.25 182.32 1i5j h GLN 34 N 0.07 0.07 -0.39 0.00 7.50 0.40 -2.70 115.11 120.05 1i5j h GLN 34 Ca -0.21 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 58.99 1i5j h GLN 34 Cb 2.00 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 29.46 1i5j h GLN 34 CO 0.17 0.37 -0.01 -0.97 -1.50 0.00 0.00 178.83 176.89 1i5j h ASN 35 N -0.25 -0.19 -0.54 1.46 -0.00 -0.91 -0.89 115.58 114.26 1i5j h ASN 35 Ca 0.01 0.09 0.03 0.00 -0.00 0.00 0.00 56.30 56.44 1i5j h ASN 35 Cb 0.35 0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.81 1i5j h ASN 35 CO 0.00 -0.06 0.36 0.25 -0.00 0.00 0.00 177.43 177.99 1i5j h LEU 36 N 0.09 0.53 0.00 0.34 5.85 -1.52 -3.29 115.31 117.31 1i5j h LEU 36 Ca 0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1i5j h LEU 36 Cb 0.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1i5j h LEU 36 CO -0.33 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1i5j n TYR 37 N -4.47 0.00 0.00 1.25 4.19 -0.43 -4.96 117.16 112.74 1i5j n TYR 37 Ca 0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.27 1i5j n TYR 37 Cb 0.15 -0.19 0.00 0.00 0.49 0.00 0.00 39.34 39.79 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1i5j n GLU 38 N -1.06 0.00 -0.10 2.98 -0.58 -0.65 -4.98 120.64 116.25 1i5j n GLU 38 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 1i5j n GLU 38 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i5j n LYS 39 N 0.00 0.66 -0.06 3.49 4.01 -0.76 -4.59 118.16 120.91 1i5j n LYS 39 Ca 0.00 0.22 -0.03 0.00 -0.51 0.00 0.00 58.31 58.00 1i5j n LYS 39 Cb 0.00 -1.58 -0.13 0.00 -0.51 0.00 0.00 35.03 32.81 1i5j n LYS 39 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1i5j n THR 40 N -3.54 0.74 -0.84 -0.18 -1.04 -1.26 -4.96 114.28 103.19 1i5j n THR 40 Ca -0.43 -0.59 -0.34 0.00 -2.04 0.00 0.00 64.05 60.66 1i5j n THR 40 Cb 0.97 -0.35 0.10 0.00 -1.82 0.00 0.00 70.33 69.23 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 -2.43 -2.40 -3.03 -1.42 9.36 -1.26 -4.12 117.16 111.85 1i5j n TYR 41 Ca -0.19 0.17 -0.09 0.00 3.32 0.00 0.00 57.90 61.11 1i5j n TYR 41 Cb 0.84 -1.69 0.01 0.00 -0.63 0.00 0.00 39.34 37.87 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 -0.09 -5.76 -4.50 2.98 4.32 -1.26 -4.48 117.00 108.22 1i5j n LEU 42 Ca 0.04 0.66 -0.21 0.00 -0.02 0.00 0.00 56.01 56.48 1i5j n LEU 42 Cb 0.55 -2.55 -0.22 0.00 -1.62 0.00 0.00 43.42 39.58 1i5j n LEU 42 CO 0.51 -1.95 2.04 -2.65 -1.22 0.00 0.00 177.39 174.12 1i5j n PRO 43 N 0.49 0.03 -1.97 3.23 -0.02 -1.26 -1.11 135.00 134.39 1i5j n PRO 43 Ca 0.01 -0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 1i5j n PRO 43 Cb 0.37 -1.12 -0.02 0.00 -0.02 0.00 0.00 33.50 32.70 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 6.10 -0.55 0.04 3.55 0.00 -1.26 -4.83 120.51 123.56 1i5j n ALA 44 Ca 0.66 0.11 -0.03 0.00 0.00 0.00 0.00 53.44 54.18 1i5j n ALA 44 Cb 0.16 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 0.00 0.00 -0.34 0.00 2.07 -1.41 -2.86 116.25 113.71 1i5j h VAL 45 Ca -0.22 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1i5j h VAL 45 Cb 0.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1i5j h VAL 45 CO 0.28 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 177.20 1i5j n ASP 46 N -4.63 2.29 -0.08 0.57 2.03 -1.26 -3.52 116.55 111.95 1i5j n ASP 46 Ca -0.02 -1.90 -0.13 0.00 0.52 0.00 0.00 54.79 53.26 1i5j n ASP 46 Cb 0.08 -0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 1i5j n ASP 46 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1i5j n GLU 47 N 0.74 0.45 0.31 -0.67 0.00 -1.26 -2.78 120.64 117.42 1i5j n GLU 47 Ca 0.16 0.18 0.19 0.00 0.00 0.00 0.00 57.16 57.70 1i5j n GLU 47 Cb 0.39 -1.27 1.00 0.00 0.00 0.00 0.00 31.44 31.57 1i5j n GLU 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1i5j h LYS 48 N -0.81 0.00 0.00 5.31 3.64 -1.68 -0.91 116.57 122.12 1i5j h LYS 48 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1i5j h LYS 48 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1i5j h LYS 48 CO -0.12 0.02 -1.11 1.28 -2.27 0.00 0.00 179.45 177.26 1i5j n LEU 49 N -3.27 0.53 -2.72 5.20 4.77 -1.23 -4.82 117.00 115.45 1i5j n LEU 49 Ca -0.02 -0.34 -0.04 0.00 -0.03 0.00 0.00 56.01 55.58 1i5j n LEU 49 Cb 0.15 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1i5j n LEU 49 CO 0.24 0.13 0.28 -1.14 -1.33 0.00 0.00 177.39 175.57 1i5j n ARG 50 N -1.62 0.40 0.00 3.23 0.63 -0.46 -4.99 116.66 113.85 1i5j n ARG 50 Ca 0.01 -1.51 0.00 0.00 -0.92 0.00 0.00 57.85 55.43 1i5j n ARG 50 Cb 0.32 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.35 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 2.55 0.00 -0.33 6.15 8.00 -0.54 -4.27 116.55 128.11 1i5j n ASP 51 Ca 0.13 0.00 0.36 0.00 0.71 0.00 0.00 54.79 55.99 1i5j n ASP 51 Cb 0.61 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 42.46 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 8.10 -1.79 0.81 115.31 123.07 1i5j h LEU 52 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.72 1i5j h LEU 52 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 1i5j h LEU 52 CO 0.00 0.00 -1.87 0.00 -4.11 0.00 0.00 178.44 172.46 1i5j n TYR 53 N -4.11 0.00 1.09 0.17 9.36 -1.26 -3.85 117.16 118.55 1i5j n TYR 53 Ca 0.26 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.48 1i5j n TYR 53 Cb 1.28 -0.74 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 1i5j n TYR 53 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1i5j n SER 54 N -4.22 0.78 0.00 2.98 2.88 -0.99 -1.22 113.62 113.84 1i5j n SER 54 Ca -0.36 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.30 1i5j n SER 54 Cb 0.72 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -0.05 1.47 -0.01 -1.46 0.00 0.28 -4.01 118.16 114.38 1i5j n LYS 55 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.41 1i5j n LYS 55 Cb 0.20 -0.71 -0.16 0.00 0.00 0.00 0.00 35.03 34.35 1i5j n LYS 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1i5j n SER 56 N -1.24 0.21 -0.00 3.14 3.41 -1.20 -3.05 113.62 114.88 1i5j n SER 56 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1i5j n SER 56 Cb 0.21 1.95 -0.07 0.00 -0.26 0.00 0.00 64.21 66.04 1i5j n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i5j n THR 57 N -2.23 0.00 -0.05 6.66 -2.24 -0.35 -3.39 114.28 112.67 1i5j n THR 57 Ca -0.04 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.42 1i5j n THR 57 Cb 0.55 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i5j n ALA 58 N -1.63 1.81 1.20 6.98 0.00 -1.21 -2.96 120.51 124.70 1i5j n ALA 58 Ca -0.01 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.08 1i5j n ALA 58 Cb 0.21 0.27 0.29 0.00 0.00 0.00 0.00 19.45 20.23 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 -2.84 2.50 0.00 0.00 0.00 -1.17 -3.62 120.51 115.37 1i5j n ALA 59 Ca -0.18 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1i5j n ALA 59 Cb 0.69 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 0.27 0.12 -0.61 0.00 2.81 -1.23 -4.81 117.12 113.67 1i5j n MET 60 Ca 0.14 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.11 1i5j n MET 60 Cb 0.28 -0.29 0.31 0.00 -0.71 0.00 0.00 33.22 32.81 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 -0.48 4.57 0.00 7.83 2.88 -1.16 -4.39 113.62 122.87 1i5j n SER 61 Ca 0.00 -2.90 0.00 0.00 -1.33 0.00 0.00 58.87 54.64 1i5j n SER 61 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 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 0.05 0.00 0.07 2.46 -1.04 -1.21 -4.79 114.28 109.81 1i5j n THR 62 Ca 0.24 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.22 1i5j n THR 62 Cb 0.98 -0.14 0.22 0.00 -1.82 0.00 0.00 70.33 69.57 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 0.36 -0.14 -1.42 5.03 -1.79 -2.04 116.97 116.97 1i5j h TYR 63 Ca 0.00 -0.09 0.04 0.00 2.58 0.00 0.00 58.73 61.26 1i5j h TYR 63 Cb 0.18 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 1i5j h TYR 63 CO 0.00 0.64 0.25 1.79 -1.32 0.00 0.00 178.16 179.52 1i5j h THR 64 N 0.27 0.24 0.00 1.81 1.35 -1.88 0.55 112.91 115.25 1i5j h THR 64 Ca 0.03 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.76 1i5j h THR 64 Cb 0.76 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1i5j h THR 64 CO 0.06 0.00 -1.59 0.61 -0.25 0.00 0.00 175.52 174.35 1i5j n GLY 65 N -1.31 -1.18 0.06 5.82 0.00 -0.79 -4.04 105.19 103.75 1i5j n GLY 65 Ca 0.01 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.70 0.35 0.03 -0.61 2.08 0.13 -4.07 119.36 114.57 1i5j n ILE 66 Ca -0.10 -0.27 -0.11 0.00 0.56 0.00 0.00 62.75 62.83 1i5j n ILE 66 Cb 0.77 -0.13 -0.06 0.00 -0.75 0.00 0.00 39.64 39.47 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 -0.04 0.00 1.39 3.04 -0.29 -1.61 116.94 119.43 1i5j h PHE 67 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1i5j h PHE 67 Cb 0.74 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 1i5j h PHE 67 CO 0.00 -0.03 -0.09 1.15 -2.02 0.00 0.00 178.31 177.32 1i5j h THR 68 N -0.02 0.50 -0.12 4.41 2.02 -1.78 -2.30 112.91 115.61 1i5j h THR 68 Ca 0.02 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1i5j h THR 68 Cb 0.04 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1i5j h THR 68 CO -0.04 0.09 0.20 -0.78 0.37 0.00 0.00 175.52 175.36 1i5j h ASP 69 N 0.00 0.00 -0.35 4.18 3.58 -1.45 0.24 116.42 122.62 1i5j h ASP 69 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1i5j h ASP 69 Cb 0.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 1i5j h ASP 69 CO 0.01 0.00 0.02 0.00 -2.88 0.00 0.00 179.24 176.39 1i5j n GLN 70 N -3.48 2.88 0.00 0.28 6.02 -0.87 -4.04 117.38 118.17 1i5j n GLN 70 Ca 0.00 -2.95 -0.04 0.00 -0.01 0.00 0.00 57.00 54.01 1i5j n GLN 70 Cb 0.30 -1.90 -0.01 0.00 1.02 0.00 0.00 30.24 29.65 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1i5j n VAL 71 N -0.55 0.85 0.08 5.09 0.31 0.81 -4.26 118.33 120.65 1i5j n VAL 71 Ca 0.26 0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.65 1i5j n VAL 71 Cb 0.99 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 32.22 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 -0.19 0.37 -0.01 7.52 3.38 -1.73 0.80 115.31 125.44 1i5j h LEU 72 Ca -0.06 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1i5j h LEU 72 Cb 0.60 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1i5j h LEU 72 CO -0.04 1.12 0.00 -0.24 0.09 0.00 0.00 178.44 179.38 1i5j n SER 73 N -3.67 0.51 -0.01 -0.43 2.88 -1.26 0.15 113.62 111.79 1i5j n SER 73 Ca -0.05 0.55 0.07 0.00 -1.33 0.00 0.00 58.87 58.11 1i5j n SER 73 Cb 0.84 -0.69 -0.11 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.98 0.02 -0.12 2.46 0.31 -1.12 -3.18 118.33 114.72 1i5j n VAL 74 Ca 0.06 -0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 63.83 1i5j n VAL 74 Cb 0.39 0.15 -0.11 0.00 -0.91 0.00 0.00 33.84 33.35 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 -2.02 2.59 0.00 7.52 -0.00 0.28 -4.70 117.00 120.67 1i5j n LEU 75 Ca -0.03 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1i5j n LEU 75 Cb 0.40 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1i5j n LEU 75 CO 0.31 0.80 0.12 0.29 -0.00 0.00 0.00 177.39 178.91 1i5j n LYS 76 N -3.63 1.19 -3.13 1.47 5.02 0.67 -5.02 118.16 114.73 1i5j n LYS 76 Ca -0.48 -0.24 -0.14 0.00 -2.02 0.00 0.00 58.31 55.43 1i5j n LYS 76 Cb 0.95 -0.70 0.05 0.00 -0.02 0.00 0.00 35.03 35.32 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 0.24 -0.02 0.00 0.72 0.00 0.39 -4.91 105.19 101.62 1i5j n GLY 77 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1i5j n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5j n GLU 78 N -3.29 3.09 0.00 1.61 -0.58 0.03 -4.79 120.64 116.71 1i5j n GLU 78 Ca -0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1i5j n GLU 78 Cb 0.56 -0.27 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 1i5j n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80