#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 0.93 -0.29 4.78 3.01 -1.26 -4.24 117.46 120.40 1i5j n PHE 14 Ca 0.00 0.28 -0.05 0.00 1.01 0.00 0.00 57.45 58.69 1i5j n PHE 14 Cb 0.00 -1.15 0.07 0.00 -0.01 0.00 0.00 39.48 38.39 1i5j n PHE 14 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1i5j h LEU 15 N 0.02 0.99 -1.83 4.37 3.38 -2.08 -2.40 115.31 117.77 1i5j h LEU 15 Ca -0.37 -0.10 0.25 0.00 0.09 0.00 0.00 57.88 57.75 1i5j h LEU 15 Cb 2.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 1i5j h LEU 15 CO 0.07 0.81 0.76 0.00 0.09 0.00 0.00 178.44 180.17 1i5j h THR 16 N 1.10 0.32 -0.95 0.22 1.03 -2.03 0.19 112.91 112.80 1i5j h THR 16 Ca 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.75 1i5j h THR 16 Cb 0.04 0.43 -0.06 0.00 -1.07 0.00 0.00 68.15 67.49 1i5j h THR 16 CO -0.04 0.00 0.61 1.56 -0.01 0.00 0.00 175.52 177.64 1i5j h GLN 17 N 0.00 1.04 -0.46 0.00 4.20 -1.66 -1.43 115.11 116.80 1i5j h GLN 17 Ca 0.41 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 59.01 1i5j h GLN 17 Cb 1.93 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 1i5j h GLN 17 CO -0.00 0.69 0.10 0.28 -0.67 0.00 0.00 178.83 179.22 1i5j h VAL 18 N 1.07 1.21 0.93 -0.54 2.07 -0.79 -2.02 116.25 118.17 1i5j h VAL 18 Ca 0.41 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1i5j h VAL 18 Cb 0.22 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1i5j h VAL 18 CO -0.16 0.27 -0.45 0.11 0.02 0.00 0.00 177.57 177.37 1i5j h LYS 19 N 0.68 -1.20 -0.01 1.57 1.57 -1.34 0.11 116.57 117.95 1i5j h LYS 19 Ca 0.15 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1i5j h LYS 19 Cb 0.27 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1i5j h LYS 19 CO -0.00 -0.80 0.10 0.93 -0.57 0.00 0.00 179.45 179.11 1i5j h GLU 20 N -1.31 0.00 0.12 3.15 4.39 -1.47 0.15 114.58 119.62 1i5j h GLU 20 Ca -0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1i5j h GLU 20 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1i5j h GLU 20 CO 0.21 0.00 -0.06 1.03 -1.16 0.00 0.00 179.01 179.03 1i5j h SER 21 N 0.00 -0.14 -0.04 1.42 0.87 -0.70 -2.13 113.55 112.82 1i5j h SER 21 Ca 0.00 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 1i5j h SER 21 Cb 0.20 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1i5j h SER 21 CO -0.00 0.41 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.58 1i5j h LEU 22 N -1.02 0.23 -0.52 2.23 4.07 -0.29 -2.20 115.31 117.81 1i5j h LEU 22 Ca -0.02 -0.04 -0.16 0.00 0.08 0.00 0.00 57.88 57.75 1i5j h LEU 22 Cb 0.29 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1i5j h LEU 22 CO 0.03 0.33 -0.52 -1.28 -1.08 0.00 0.00 178.44 175.92 1i5j h SER 23 N 0.24 0.66 -0.12 -0.43 0.87 -0.82 -2.99 113.55 110.97 1i5j h SER 23 Ca 0.05 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.21 1i5j h SER 23 Cb 0.27 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1i5j h SER 23 CO 0.01 1.05 -0.11 0.28 -0.53 0.00 0.00 176.83 177.54 1i5j h SER 24 N 0.47 0.43 -0.85 6.23 0.02 -0.77 0.69 113.55 119.77 1i5j h SER 24 Ca 0.02 -0.10 0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1i5j h SER 24 Cb 1.06 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1i5j h SER 24 CO 0.10 0.58 0.55 0.22 -1.14 0.00 0.00 176.83 177.14 1i5j h TYR 25 N 0.42 0.88 0.00 3.45 5.03 -1.31 -0.48 116.97 124.95 1i5j h TYR 25 Ca 0.08 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 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 0.01 0.41 -1.44 0.91 -1.32 0.00 0.00 178.16 176.74 1i5j n TRP 26 N -4.52 0.57 -0.19 -3.82 7.02 -0.82 -4.18 117.44 111.49 1i5j n TRP 26 Ca 0.14 0.17 -0.09 0.00 -1.02 0.00 0.00 57.50 56.70 1i5j n TRP 26 Cb 0.31 -0.78 0.04 0.00 -2.42 0.00 0.00 31.31 28.47 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 1.03 -0.68 -0.99 4.81 0.19 -2.63 114.58 116.32 1i5j h GLU 27 Ca -0.01 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1i5j h GLU 27 Cb 1.03 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1i5j h GLU 27 CO 0.00 1.03 0.28 1.03 -0.73 0.00 0.00 179.01 180.62 1i5j h SER 28 N 0.94 0.91 -0.62 1.04 0.87 -1.35 0.34 113.55 115.67 1i5j h SER 28 Ca 0.16 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1i5j h SER 28 Cb 0.58 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1i5j h SER 28 CO 0.03 0.80 0.35 0.00 -0.53 0.00 0.00 176.83 177.49 1i5j h ALA 29 N 1.33 1.41 0.00 6.23 0.00 -1.67 -0.56 119.26 126.00 1i5j h ALA 29 Ca 0.23 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1i5j h ALA 29 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1i5j h ALA 29 CO -0.02 0.49 -0.61 0.87 0.00 0.00 0.00 179.25 179.98 1i5j h LYS 30 N 0.89 0.00 -0.34 0.00 1.57 -0.91 -3.25 116.57 114.53 1i5j h LYS 30 Ca 0.23 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1i5j h LYS 30 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1i5j h LYS 30 CO -0.04 0.61 -0.06 1.15 -0.57 0.00 0.00 179.45 180.54 1i5j h THR 31 N 0.00 1.27 -0.22 -0.16 2.02 0.11 -2.42 112.91 113.52 1i5j h THR 31 Ca -0.01 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.15 1i5j h THR 31 Cb 1.34 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1i5j h THR 31 CO 0.08 0.36 0.32 0.00 0.37 0.00 0.00 175.52 176.65 1i5j h ALA 32 N 0.82 1.76 0.13 6.16 0.00 -1.26 0.46 119.26 127.33 1i5j h ALA 32 Ca 0.09 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1i5j h ALA 32 Cb 0.54 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1i5j h ALA 32 CO 0.03 -0.43 -1.24 0.00 0.00 0.00 0.00 179.25 177.61 1i5j h ALA 33 N 1.56 0.10 -0.07 0.00 0.00 -1.55 -3.13 119.26 116.16 1i5j h ALA 33 Ca 0.10 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 54.04 1i5j h ALA 33 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1i5j h ALA 33 CO -0.00 0.96 -0.31 1.96 0.00 0.00 0.00 179.25 181.86 1i5j h GLN 34 N 0.08 0.34 -0.43 0.00 7.50 0.01 -3.26 115.11 119.35 1i5j h GLN 34 Ca -0.13 -0.27 0.07 0.00 0.50 0.00 0.00 58.65 58.82 1i5j h GLN 34 Cb 1.96 0.05 -0.06 0.00 0.05 0.00 0.00 27.48 29.48 1i5j h GLN 34 CO 0.20 0.91 0.06 -0.97 -1.50 0.00 0.00 178.83 177.53 1i5j h ASN 35 N -0.14 -0.05 -0.94 1.46 -0.73 -1.04 0.26 115.58 114.39 1i5j h ASN 35 Ca -0.02 0.08 0.21 0.00 1.87 0.00 0.00 56.30 58.44 1i5j h ASN 35 Cb 0.96 0.13 -0.08 0.00 0.27 0.00 0.00 38.32 39.60 1i5j h ASN 35 CO 0.07 0.01 0.61 0.25 -0.37 0.00 0.00 177.43 177.99 1i5j h LEU 36 N 0.18 0.48 0.05 0.34 5.85 -1.61 -1.64 115.31 118.97 1i5j h LEU 36 Ca 0.21 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1i5j h LEU 36 Cb 0.28 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.29 1i5j h LEU 36 CO -0.30 0.18 -0.48 1.88 -0.34 0.00 0.00 178.44 179.38 1i5j h TYR 37 N 0.47 0.38 0.00 1.25 0.05 -1.21 -3.47 116.97 114.43 1i5j h TYR 37 Ca 0.50 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1i5j h TYR 37 Cb 1.16 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.87 1i5j h TYR 37 CO -0.00 1.13 0.00 0.39 -1.05 0.00 0.00 178.16 178.62 1i5j n GLU 38 N -4.33 0.00 -0.46 4.88 -0.58 -0.16 -4.91 120.64 115.08 1i5j n GLU 38 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1i5j n GLU 38 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 1i5j n GLU 38 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1i5j n LYS 39 N 0.00 0.00 0.00 3.49 4.81 0.74 -4.66 118.16 122.54 1i5j n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1i5j n LYS 39 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 1i5j n LYS 39 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1i5j n THR 40 N -2.00 0.00 0.00 3.15 -1.04 -1.26 -4.67 114.28 108.46 1i5j n THR 40 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1i5j n THR 40 Cb 0.00 0.82 0.00 0.00 -1.82 0.00 0.00 70.33 69.33 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 -0.58 0.00 -2.37 -1.42 4.19 -1.26 -4.51 117.16 111.21 1i5j n TYR 41 Ca 0.00 0.00 -0.20 0.00 3.31 0.00 0.00 57.90 61.01 1i5j n TYR 41 Cb 0.00 -0.25 0.02 0.00 0.49 0.00 0.00 39.34 39.60 1i5j n TYR 41 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1i5j n LEU 42 N -1.25 3.92 0.00 2.98 -0.00 -1.26 -4.65 117.00 116.74 1i5j n LEU 42 Ca 0.00 -4.51 0.00 0.00 -0.00 0.00 0.00 56.01 51.50 1i5j n LEU 42 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1i5j n LEU 42 CO 0.00 1.92 0.00 -0.81 -0.00 0.00 0.00 177.39 178.50 1i5j n PRO 43 N -0.54 0.00 -1.61 1.47 -0.04 -1.26 -4.95 135.00 128.07 1i5j n PRO 43 Ca 0.32 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1i5j n PRO 43 Cb 0.82 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 34.19 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 -3.00 3.31 0.00 0.55 0.00 -1.26 -4.94 120.51 115.16 1i5j n ALA 44 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1i5j n ALA 44 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.39 0.00 -0.18 0.00 0.31 -1.26 -4.53 118.33 112.28 1i5j n VAL 45 Ca -0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 1i5j n VAL 45 Cb 0.81 -0.41 0.08 0.00 -0.91 0.00 0.00 33.84 33.41 1i5j n VAL 45 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1i5j h ASP 46 N 0.00 0.07 -0.06 4.52 5.19 -1.82 0.26 116.42 124.58 1i5j h ASP 46 Ca 0.00 0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 1i5j h ASP 46 Cb 0.55 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1i5j h ASP 46 CO 0.00 0.06 -0.31 -0.33 -3.12 0.00 0.00 179.24 175.54 1i5j h GLU 47 N 0.29 0.31 -0.59 3.56 3.07 -1.88 0.25 114.58 119.59 1i5j h GLU 47 Ca 0.28 -0.26 0.17 0.00 -0.50 0.00 0.00 59.36 59.05 1i5j h GLU 47 Cb 0.36 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1i5j h GLU 47 CO -0.33 0.91 0.50 -0.22 -1.40 0.00 0.00 179.01 178.46 1i5j h LYS 48 N -0.20 0.00 0.00 2.33 3.11 -1.69 1.14 116.57 121.26 1i5j h LYS 48 Ca -0.02 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.70 1i5j h LYS 48 Cb 0.97 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.17 1i5j h LYS 48 CO 0.06 0.00 -1.94 1.28 -2.81 0.00 0.00 179.45 176.04 1i5j n LEU 49 N -4.03 0.19 -1.27 5.20 4.77 0.04 -4.31 117.00 117.59 1i5j n LEU 49 Ca 0.11 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1i5j n LEU 49 Cb 0.73 0.14 0.18 0.00 -2.33 0.00 0.00 43.42 42.14 1i5j n LEU 49 CO 0.33 0.14 0.69 -1.14 -1.33 0.00 0.00 177.39 176.07 1i5j n ARG 50 N -2.51 1.97 -0.14 3.23 0.63 0.86 -4.61 116.66 116.09 1i5j n ARG 50 Ca -0.12 -3.27 -0.28 0.00 -0.92 0.00 0.00 57.85 53.26 1i5j n ARG 50 Cb 0.76 -1.86 -0.10 0.00 0.45 0.00 0.00 32.46 31.70 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 -1.10 1.94 0.07 6.15 9.92 0.36 -3.33 116.55 130.57 1i5j n ASP 51 Ca 0.35 0.28 0.21 0.00 -0.53 0.00 0.00 54.79 55.10 1i5j n ASP 51 Cb 1.02 -0.76 0.72 0.00 -0.64 0.00 0.00 41.12 41.47 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 -0.86 0.00 0.00 0.64 -0.00 -1.81 0.47 115.31 113.75 1i5j h LEU 52 Ca -0.68 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.12 1i5j h LEU 52 Cb 1.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.29 1i5j h LEU 52 CO -0.38 0.00 -0.91 0.00 -0.00 0.00 0.00 178.44 177.15 1i5j n TYR 53 N -3.64 0.69 -0.37 0.17 4.19 -1.26 -3.20 117.16 113.74 1i5j n TYR 53 Ca 0.08 0.30 -0.14 0.00 3.31 0.00 0.00 57.90 61.45 1i5j n TYR 53 Cb 0.69 -0.80 0.09 0.00 0.49 0.00 0.00 39.34 39.81 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 -4.52 4.06 0.00 2.98 7.64 -1.04 -3.38 113.62 119.36 1i5j n SER 54 Ca -0.17 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.77 1i5j n SER 54 Cb 0.44 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.29 0.00 0.00 1.43 4.81 0.16 -4.46 118.16 119.81 1i5j n LYS 55 Ca 0.33 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.90 1i5j n LYS 55 Cb 1.03 -0.08 0.40 0.00 0.02 0.00 0.00 35.03 36.40 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 -1.81 1.36 0.00 3.14 7.64 -0.98 -2.96 113.62 120.00 1i5j n SER 56 Ca 0.00 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1i5j n SER 56 Cb 0.00 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1i5j n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1i5j n THR 57 N -0.20 0.00 -0.11 0.44 -2.24 -1.22 -4.60 114.28 106.35 1i5j n THR 57 Ca 0.15 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.70 1i5j n THR 57 Cb 0.37 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.16 0.92 0.38 6.98 0.00 -1.23 -3.79 120.51 121.62 1i5j n ALA 58 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 53.44 52.75 1i5j n ALA 58 Cb 0.41 -0.20 0.25 0.00 0.00 0.00 0.00 19.45 19.91 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 -3.84 1.51 0.06 0.00 0.00 -1.16 0.86 120.51 117.96 1i5j n ALA 59 Ca -0.37 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 1i5j n ALA 59 Cb 0.71 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 1i5j n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j h MET 60 N 0.00 0.34 0.00 0.00 -0.00 -1.70 -3.17 114.93 110.40 1i5j h MET 60 Ca 0.00 -0.58 -0.25 0.00 -0.00 0.00 0.00 59.70 58.87 1i5j h MET 60 Cb 0.20 0.22 -0.04 0.00 -0.00 0.00 0.00 31.60 31.97 1i5j h MET 60 CO 0.00 1.24 -1.73 0.43 -0.00 0.00 0.00 176.91 176.85 1i5j n SER 61 N -3.53 0.68 0.25 -0.10 7.64 -0.93 -3.99 113.62 113.63 1i5j n SER 61 Ca -0.23 0.31 0.14 0.00 1.01 0.00 0.00 58.87 60.10 1i5j n SER 61 Cb 1.07 0.29 0.51 0.00 -1.01 0.00 0.00 64.21 65.07 1i5j n SER 61 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1i5j h THR 62 N 0.00 0.21 -0.03 0.44 2.02 0.31 -2.84 112.91 113.02 1i5j h THR 62 Ca -0.27 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 1i5j h THR 62 Cb 1.85 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.95 1i5j h THR 62 CO 0.05 0.09 -0.42 0.22 0.37 0.00 0.00 175.52 175.83 1i5j h TYR 63 N 0.00 0.07 -0.30 3.16 3.20 -1.68 -2.28 116.97 119.14 1i5j h TYR 63 Ca -0.00 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1i5j h TYR 63 Cb 0.70 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1i5j h TYR 63 CO 0.00 0.48 0.36 1.79 -1.64 0.00 0.00 178.16 179.15 1i5j h THR 64 N 0.05 0.37 0.00 1.81 1.35 -1.69 0.99 112.91 115.80 1i5j h THR 64 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1i5j h THR 64 Cb 0.77 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1i5j h THR 64 CO 0.06 0.00 -1.44 0.61 -0.25 0.00 0.00 175.52 174.50 1i5j n GLY 65 N -1.44 -1.26 0.03 5.82 0.00 -0.87 -4.05 105.19 103.42 1i5j n GLY 65 Ca 0.05 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.51 0.16 0.12 -0.61 2.08 0.20 -3.75 119.36 115.05 1i5j n ILE 66 Ca -0.02 -0.21 -0.13 0.00 0.56 0.00 0.00 62.75 62.95 1i5j n ILE 66 Cb 0.57 0.21 -0.08 0.00 -0.75 0.00 0.00 39.64 39.60 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 -0.20 0.00 1.39 3.57 0.53 -2.79 116.94 119.44 1i5j h PHE 67 Ca 0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1i5j h PHE 67 Cb 0.69 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1i5j h PHE 67 CO 0.00 -0.10 -0.37 1.15 -2.23 0.00 0.00 178.31 176.76 1i5j h THR 68 N -0.25 0.71 -0.38 4.41 2.02 -1.78 -3.20 112.91 114.44 1i5j h THR 68 Ca -0.02 -1.72 0.11 0.00 0.77 0.00 0.00 66.41 65.55 1i5j h THR 68 Cb 0.19 2.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1i5j h THR 68 CO 0.04 0.36 0.40 0.44 0.37 0.00 0.00 175.52 177.12 1i5j h ASP 69 N 0.00 0.00 -0.34 4.18 5.19 -1.58 0.76 116.42 124.64 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 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1i5j h ASP 69 CO 0.05 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.17 1i5j n GLN 70 N -3.78 2.07 -0.12 3.56 6.02 -1.21 -2.81 117.38 121.12 1i5j n GLN 70 Ca 0.06 -1.63 -0.22 0.00 -0.01 0.00 0.00 57.00 55.20 1i5j n GLN 70 Cb 0.57 -1.42 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 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 0.84 1.53 0.06 5.09 0.31 0.26 -4.00 118.33 122.42 1i5j n VAL 71 Ca 0.17 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 64.04 1i5j n VAL 71 Cb 0.43 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.70 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 -0.35 0.00 -1.09 7.52 -0.00 -1.68 0.84 115.31 120.55 1i5j h LEU 72 Ca -0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 1i5j h LEU 72 Cb 1.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 1i5j h LEU 72 CO -0.19 0.38 0.00 -1.28 -0.00 0.00 0.00 178.44 177.35 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.87 -0.74 0.11 113.55 113.96 1i5j h SER 73 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1i5j h SER 73 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1i5j h SER 73 CO 0.03 0.00 -0.79 0.52 -0.53 0.00 0.00 176.83 176.07 1i5j n VAL 74 N -2.96 0.00 0.14 2.23 0.31 -1.24 -1.96 118.33 114.85 1i5j n VAL 74 Ca 0.01 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.34 1i5j n VAL 74 Cb 0.34 0.46 -0.04 0.00 -0.91 0.00 0.00 33.84 33.69 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 -1.24 0.14 -0.00 7.52 4.77 0.29 -4.63 117.00 123.84 1i5j n LEU 75 Ca 0.00 -0.25 0.07 0.00 -0.03 0.00 0.00 56.01 55.80 1i5j n LEU 75 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1i5j n LEU 75 CO 0.00 0.03 -0.20 0.29 -1.33 0.00 0.00 177.39 176.19 1i5j n LYS 76 N -1.42 1.83 0.00 3.23 4.76 -0.31 -4.95 118.16 121.29 1i5j n LYS 76 Ca -0.00 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1i5j n LYS 76 Cb 0.12 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.42 0.92 2.67 0.72 0.00 -0.95 -4.74 105.19 105.23 1i5j n GLY 77 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.09 0.00 1.61 2.13 -0.83 -4.96 120.64 115.50 1i5j n GLU 78 Ca 0.00 0.58 0.03 0.00 0.66 0.00 0.00 57.16 58.43 1i5j n GLU 78 Cb 0.00 -4.63 0.02 0.00 0.27 0.00 0.00 31.44 27.10 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11