#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5j h PHE 14 N 0.00 -0.57 -0.29 4.78 3.04 -2.06 -2.50 116.94 119.34 1i5j h PHE 14 Ca 0.00 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.99 1i5j h PHE 14 Cb 0.00 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 1i5j h PHE 14 CO 0.00 -0.29 -0.02 -0.07 -2.02 0.00 0.00 178.31 175.91 1i5j h LEU 15 N -1.10 -0.15 -1.63 0.59 3.38 -2.05 -1.09 115.31 113.27 1i5j h LEU 15 Ca -0.06 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1i5j h LEU 15 Cb 0.53 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1i5j h LEU 15 CO 0.10 -0.04 0.46 0.74 0.09 0.00 0.00 178.44 179.79 1i5j h THR 16 N 0.07 0.83 0.00 0.22 2.02 -1.99 0.49 112.91 114.55 1i5j h THR 16 Ca 0.14 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i5j h THR 16 Cb 0.19 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1i5j h THR 16 CO -0.24 0.07 0.00 -0.61 0.37 0.00 0.00 175.52 175.11 1i5j h GLN 17 N 0.39 0.00 0.00 6.66 4.15 -0.72 -1.53 115.11 124.06 1i5j h GLN 17 Ca 0.32 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.43 1i5j h GLN 17 Cb 0.73 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 1i5j h GLN 17 CO -0.09 0.00 -2.17 0.28 -1.93 0.00 0.00 178.83 174.92 1i5j n VAL 18 N -3.00 1.18 0.27 2.39 0.31 0.11 -4.01 118.33 115.57 1i5j n VAL 18 Ca -0.00 -0.56 -0.11 0.00 -0.01 0.00 0.00 64.34 63.66 1i5j n VAL 18 Cb 0.22 -0.97 -0.05 0.00 -0.91 0.00 0.00 33.84 32.12 1i5j n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1i5j h LYS 19 N 0.00 -0.69 -0.01 5.55 1.57 -0.14 0.17 116.57 123.01 1i5j h LYS 19 Ca -0.46 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1i5j h LYS 19 Cb 1.84 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 34.31 1i5j h LYS 19 CO -0.03 -0.46 0.09 0.93 -0.57 0.00 0.00 179.45 179.41 1i5j h GLU 20 N -0.95 0.00 0.17 3.15 5.08 -1.51 0.10 114.58 120.61 1i5j h GLU 20 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1i5j h GLU 20 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1i5j h GLU 20 CO 0.12 0.00 -0.08 1.03 -1.00 0.00 0.00 179.01 179.08 1i5j h SER 21 N 0.00 -0.19 -0.75 1.42 0.87 -1.64 -1.69 113.55 111.57 1i5j h SER 21 Ca 0.01 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 1i5j h SER 21 Cb 0.19 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1i5j h SER 21 CO -0.00 0.37 0.37 0.25 -0.53 0.00 0.00 176.83 177.28 1i5j h LEU 22 N -0.98 0.99 -1.10 2.23 6.46 -0.34 -1.79 115.31 120.78 1i5j h LEU 22 Ca -0.02 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 1i5j h LEU 22 Cb 0.42 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1i5j h LEU 22 CO 0.04 0.84 -0.03 0.28 -0.62 0.00 0.00 178.44 178.95 1i5j h SER 23 N 1.09 0.58 -0.18 1.25 0.02 -0.92 -2.20 113.55 113.18 1i5j h SER 23 Ca 0.26 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1i5j h SER 23 Cb 0.11 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1i5j h SER 23 CO -0.03 0.67 -0.05 0.28 -1.14 0.00 0.00 176.83 176.56 1i5j h SER 24 N 0.57 0.47 -0.97 3.07 0.02 -0.45 0.65 113.55 116.91 1i5j h SER 24 Ca 0.12 -0.10 0.20 0.00 -0.84 0.00 0.00 61.79 61.17 1i5j h SER 24 Cb 0.40 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.73 1i5j h SER 24 CO 0.02 0.57 0.61 0.22 -1.14 0.00 0.00 176.83 177.11 1i5j h TYR 25 N 0.47 0.84 0.00 3.45 5.03 -0.91 0.79 116.97 126.63 1i5j h TYR 25 Ca 0.10 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.38 1i5j h TYR 25 Cb 0.38 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.40 1i5j h TYR 25 CO 0.01 0.20 -1.91 0.91 -1.32 0.00 0.00 178.16 176.05 1i5j n TRP 26 N -4.65 0.15 0.05 -3.82 8.01 -0.81 -4.21 117.44 112.16 1i5j n TRP 26 Ca 0.22 0.04 -0.09 0.00 -1.31 0.00 0.00 57.50 56.37 1i5j n TRP 26 Cb 0.64 -0.63 0.05 0.00 -2.01 0.00 0.00 31.31 29.36 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 0.37 -0.60 -0.99 4.57 0.24 -2.96 114.58 115.21 1i5j h GLU 27 Ca -0.07 -0.29 -0.07 0.00 -1.18 0.00 0.00 59.36 57.76 1i5j h GLU 27 Cb 1.16 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.78 1i5j h GLU 27 CO 0.01 0.92 0.11 1.03 -1.18 0.00 0.00 179.01 179.89 1i5j h SER 28 N 0.26 0.92 -0.67 1.04 0.87 0.31 0.98 113.55 117.25 1i5j h SER 28 Ca -0.02 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.32 1i5j h SER 28 Cb 1.24 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1i5j h SER 28 CO 0.12 0.91 0.33 0.00 -0.53 0.00 0.00 176.83 177.66 1i5j h ALA 29 N 1.20 1.28 0.00 6.23 0.00 -1.71 -1.03 119.26 125.23 1i5j h ALA 29 Ca 0.19 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1i5j h ALA 29 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1i5j h ALA 29 CO 0.01 0.55 -0.53 0.87 0.00 0.00 0.00 179.25 180.15 1i5j h LYS 30 N 0.98 0.00 -0.65 0.00 1.57 -1.21 -3.25 116.57 114.02 1i5j h LYS 30 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1i5j h LYS 30 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1i5j h LYS 30 CO -0.03 0.52 0.21 1.15 -0.57 0.00 0.00 179.45 180.73 1i5j h THR 31 N 0.00 1.24 -0.04 -0.16 2.02 0.22 -1.29 112.91 114.90 1i5j h THR 31 Ca -0.01 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.37 1i5j h THR 31 Cb 1.40 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1i5j h THR 31 CO 0.07 0.32 0.21 0.00 0.37 0.00 0.00 175.52 176.49 1i5j h ALA 32 N 1.27 1.32 0.05 6.16 0.00 -1.39 0.31 119.26 126.98 1i5j h ALA 32 Ca 0.21 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 1i5j h ALA 32 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1i5j h ALA 32 CO -0.01 -0.23 -1.67 0.00 0.00 0.00 0.00 179.25 177.34 1i5j h ALA 33 N 1.62 0.57 0.00 0.00 0.00 -1.41 -2.99 119.26 117.04 1i5j h ALA 33 Ca 0.02 -1.34 -0.14 0.00 0.00 0.00 0.00 54.91 53.45 1i5j h ALA 33 Cb 0.44 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1i5j h ALA 33 CO -0.00 1.42 -0.67 0.37 0.00 0.00 0.00 179.25 180.37 1i5j h GLN 34 N 0.03 0.00 0.04 0.00 4.15 -0.28 0.19 115.11 119.25 1i5j h GLN 34 Ca -0.28 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.07 1i5j h GLN 34 Cb 2.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.70 1i5j h GLN 34 CO 0.10 0.67 -0.31 -0.97 -1.93 0.00 0.00 178.83 176.39 1i5j h ASN 35 N 0.00 0.20 0.54 -0.69 -1.24 -0.80 0.40 115.58 113.99 1i5j h ASN 35 Ca -0.01 -0.92 -0.11 0.00 0.71 0.00 0.00 56.30 55.98 1i5j h ASN 35 Cb 1.31 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 40.28 1i5j h ASN 35 CO 0.09 1.10 -0.51 0.25 -1.29 0.00 0.00 177.43 177.07 1i5j h LEU 36 N -0.67 0.00 -0.16 0.34 6.46 -1.60 -3.39 115.31 116.29 1i5j h LEU 36 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1i5j h LEU 36 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1i5j h LEU 36 CO 0.06 0.51 0.00 0.00 -0.62 0.00 0.00 178.44 178.39 1i5j n TYR 37 N -3.89 0.00 -2.68 1.25 9.36 -0.77 -5.01 117.16 115.42 1i5j n TYR 37 Ca -0.01 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.07 1i5j n TYR 37 Cb 0.53 0.10 0.02 0.00 -0.63 0.00 0.00 39.34 39.36 1i5j n TYR 37 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1i5j n GLU 38 N 0.00 -2.81 -1.44 2.98 4.07 0.14 -2.33 120.64 121.25 1i5j n GLU 38 Ca 0.00 0.56 -0.16 0.00 -0.06 0.00 0.00 57.16 57.50 1i5j n GLU 38 Cb 0.44 -4.69 -0.07 0.00 -0.06 0.00 0.00 31.44 27.07 1i5j n GLU 38 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1i5j n LYS 39 N -2.69 -1.54 0.00 5.31 5.02 0.59 -4.76 118.16 120.10 1i5j n LYS 39 Ca -0.08 1.02 0.12 0.00 -2.02 0.00 0.00 58.31 57.35 1i5j n LYS 39 Cb 0.58 -5.38 0.26 0.00 -0.02 0.00 0.00 35.03 30.48 1i5j n LYS 39 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1i5j n THR 40 N -2.20 0.00 0.28 -0.18 -1.04 -0.98 -3.99 114.28 106.16 1i5j n THR 40 Ca -0.16 -0.05 0.16 0.00 -2.04 0.00 0.00 64.05 61.96 1i5j n THR 40 Cb 0.61 0.38 0.72 0.00 -1.82 0.00 0.00 70.33 70.22 1i5j n THR 40 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1i5j h TYR 41 N 0.49 0.00 0.00 -1.42 3.20 -1.87 -2.54 116.97 114.83 1i5j h TYR 41 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1i5j h TYR 41 Cb 0.51 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1i5j h TYR 41 CO 0.00 0.05 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.27 1i5j h LEU 42 N 0.00 0.00 0.00 2.82 3.38 -1.97 -3.34 115.31 116.19 1i5j h LEU 42 Ca -0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1i5j h LEU 42 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1i5j h LEU 42 CO 0.01 0.94 0.00 -2.65 0.09 0.00 0.00 178.44 176.83 1i5j n PRO 43 N -4.62 0.22 -2.29 1.13 -0.02 -1.23 -3.23 135.00 124.96 1i5j n PRO 43 Ca -0.11 0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 61.22 1i5j n PRO 43 Cb 0.38 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.32 5.24 -0.33 3.55 0.00 -0.96 -4.82 120.51 121.87 1i5j n ALA 44 Ca 0.08 -4.17 0.06 0.00 0.00 0.00 0.00 53.44 49.41 1i5j n ALA 44 Cb 0.15 -0.67 0.24 0.00 0.00 0.00 0.00 19.45 19.17 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 2.39 1.00 0.00 0.00 2.07 -1.69 0.45 116.25 120.47 1i5j h VAL 45 Ca 0.35 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1i5j h VAL 45 Cb 0.97 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1i5j h VAL 45 CO 0.91 0.19 -0.11 -0.78 0.02 0.00 0.00 177.57 177.79 1i5j h ASP 46 N 1.02 0.00 0.13 0.57 1.82 -1.91 -2.61 116.42 115.43 1i5j h ASP 46 Ca 0.44 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.82 1i5j h ASP 46 Cb 0.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1i5j h ASP 46 CO -0.20 0.11 -1.30 -0.33 -1.61 0.00 0.00 179.24 175.92 1i5j h GLU 47 N 0.00 0.27 -0.91 0.28 5.08 -1.20 -1.75 114.58 116.36 1i5j h GLU 47 Ca -0.00 -0.46 0.13 0.00 -1.00 0.00 0.00 59.36 58.03 1i5j h GLU 47 Cb 0.32 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 1i5j h GLU 47 CO 0.01 1.22 0.52 -0.22 -1.00 0.00 0.00 179.01 179.54 1i5j h LYS 48 N -0.30 0.76 0.00 2.33 3.11 -1.02 0.20 116.57 121.66 1i5j h LYS 48 Ca -0.27 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.51 1i5j h LYS 48 Cb 1.76 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.81 1i5j h LYS 48 CO 0.09 0.50 -0.47 1.37 -2.81 0.00 0.00 179.45 178.13 1i5j h LEU 49 N 0.78 0.00 -6.04 5.20 8.10 -1.59 -3.38 115.31 118.38 1i5j h LEU 49 Ca 0.47 0.00 -0.58 0.00 0.11 0.00 0.00 57.88 57.88 1i5j h LEU 49 Cb 0.57 0.00 -0.41 0.00 -0.44 0.00 0.00 40.66 40.38 1i5j h LEU 49 CO -0.31 0.05 -0.76 -1.14 -4.11 0.00 0.00 178.44 172.17 1i5j n ARG 50 N -2.94 2.07 0.00 0.17 3.00 0.51 -4.79 116.66 114.68 1i5j n ARG 50 Ca 0.02 -4.26 0.00 0.00 -0.00 0.00 0.00 57.85 53.61 1i5j n ARG 50 Cb 0.56 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1i5j n ASP 51 N 0.85 0.00 -0.31 6.15 8.00 -0.06 -4.53 116.55 126.64 1i5j n ASP 51 Ca 0.28 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.98 1i5j n ASP 51 Cb 0.45 0.10 0.47 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.50 0.26 0.64 -0.00 -1.82 0.56 115.31 115.45 1i5j h LEU 52 Ca 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1i5j h LEU 52 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1i5j h LEU 52 CO 0.00 0.13 -0.12 0.22 -0.00 0.00 0.00 178.44 178.67 1i5j h TYR 53 N 0.46 -0.32 -0.09 0.17 5.03 -1.91 -2.77 116.97 117.54 1i5j h TYR 53 Ca 0.57 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.87 1i5j h TYR 53 Cb 1.33 0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.72 1i5j h TYR 53 CO -0.00 0.03 0.00 -1.13 -1.32 0.00 0.00 178.16 175.74 1i5j n SER 54 N -5.02 1.31 -0.01 -2.11 3.41 -0.75 -1.60 113.62 108.84 1i5j n SER 54 Ca -0.08 -2.09 -0.01 0.00 -0.26 0.00 0.00 58.87 56.44 1i5j n SER 54 Cb 0.25 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i5j n LYS 55 N -0.00 2.31 -0.01 4.33 3.00 0.19 -3.56 118.16 124.42 1i5j n LYS 55 Ca 0.04 -0.01 0.06 0.00 -0.00 0.00 0.00 58.31 58.40 1i5j n LYS 55 Cb 0.29 -1.10 -0.10 0.00 0.00 0.00 0.00 35.03 34.12 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 -1.97 2.01 -0.00 3.14 3.41 -1.05 -3.35 113.62 115.80 1i5j n SER 56 Ca -0.04 -0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.61 1i5j n SER 56 Cb 0.45 1.56 -0.11 0.00 -0.26 0.00 0.00 64.21 65.85 1i5j n SER 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1i5j n THR 57 N -1.91 0.00 -0.01 6.66 -1.04 -0.63 -4.21 114.28 113.13 1i5j n THR 57 Ca -0.02 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.05 61.69 1i5j n THR 57 Cb 0.33 0.44 -0.01 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.80 1.94 1.52 2.41 0.00 -1.26 -3.98 120.51 119.34 1i5j n ALA 58 Ca -0.01 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1i5j n ALA 58 Cb 0.35 0.39 0.37 0.00 0.00 0.00 0.00 19.45 20.56 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 -2.48 2.54 0.00 0.00 0.00 -1.21 -2.55 120.51 116.81 1i5j n ALA 59 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1i5j n ALA 59 Cb 0.56 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.11 0.00 0.13 0.00 2.81 -1.25 -4.67 117.12 114.03 1i5j n MET 60 Ca 0.13 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 1i5j n MET 60 Cb 0.20 -0.74 0.08 0.00 -0.71 0.00 0.00 33.22 32.06 1i5j n MET 60 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1i5j h SER 61 N 0.00 0.00 -0.10 7.83 0.02 -1.70 -3.05 113.55 116.54 1i5j h SER 61 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i5j h SER 61 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1i5j h SER 61 CO 0.00 0.60 0.00 0.41 -1.14 0.00 0.00 176.83 176.70 1i5j n THR 62 N -3.39 0.13 0.11 -2.27 -1.04 -1.06 -3.73 114.28 103.04 1i5j n THR 62 Ca 0.01 -0.21 -0.03 0.00 -2.04 0.00 0.00 64.05 61.78 1i5j n THR 62 Cb 0.72 0.10 0.09 0.00 -1.82 0.00 0.00 70.33 69.42 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 1.29 0.05 -0.38 -1.42 3.20 -1.77 -2.97 116.97 114.98 1i5j h TYR 63 Ca 0.00 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1i5j h TYR 63 Cb 0.28 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1i5j h TYR 63 CO 0.06 0.74 0.44 1.79 -1.64 0.00 0.00 178.16 179.55 1i5j h THR 64 N 0.02 0.34 0.00 1.81 1.35 -1.78 0.96 112.91 115.62 1i5j h THR 64 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.79 1i5j h THR 64 Cb 1.26 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1i5j h THR 64 CO 0.10 0.00 -1.28 0.61 -0.25 0.00 0.00 175.52 174.70 1i5j n GLY 65 N -1.47 -1.32 0.02 5.82 0.00 -1.13 -3.92 105.19 103.20 1i5j n GLY 65 Ca 0.07 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.12 0.27 -0.61 2.08 0.27 -3.81 119.36 114.97 1i5j n ILE 66 Ca -0.04 -0.13 -0.15 0.00 0.56 0.00 0.00 62.75 62.98 1i5j n ILE 66 Cb 0.66 0.27 -0.08 0.00 -0.75 0.00 0.00 39.64 39.74 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 -0.64 0.00 1.39 3.04 0.30 -3.05 116.94 117.98 1i5j h PHE 67 Ca 0.00 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.87 1i5j h PHE 67 Cb 0.62 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.34 1i5j h PHE 67 CO 0.00 -0.32 -0.31 1.15 -2.02 0.00 0.00 178.31 176.81 1i5j h THR 68 N -0.89 0.81 -0.43 4.41 2.02 -1.75 -2.98 112.91 114.11 1i5j h THR 68 Ca -0.07 -1.26 0.06 0.00 0.77 0.00 0.00 66.41 65.91 1i5j h THR 68 Cb 0.60 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1i5j h THR 68 CO 0.12 0.30 0.29 0.44 0.37 0.00 0.00 175.52 177.03 1i5j h ASP 69 N 0.00 0.28 -0.29 4.18 5.19 -1.63 0.12 116.42 124.27 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 0.75 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1i5j h ASP 69 CO 0.04 0.18 0.00 0.00 -3.12 0.00 0.00 179.24 176.34 1i5j n GLN 70 N -4.47 1.98 -0.04 3.56 6.02 -1.12 -2.76 117.38 120.54 1i5j n GLN 70 Ca 0.06 -1.49 -0.21 0.00 -0.01 0.00 0.00 57.00 55.35 1i5j n GLN 70 Cb 0.26 -1.40 -0.13 0.00 1.02 0.00 0.00 30.24 29.99 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 0.71 1.68 0.02 5.09 0.31 0.41 -3.47 118.33 123.08 1i5j n VAL 71 Ca 0.16 -0.59 0.01 0.00 -0.01 0.00 0.00 64.34 63.92 1i5j n VAL 71 Cb 0.40 -1.68 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 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 0.67 0.13 7.52 -0.00 -1.14 -0.95 117.00 119.73 1i5j n LEU 72 Ca -0.36 0.29 0.13 0.00 -0.00 0.00 0.00 56.01 56.07 1i5j n LEU 72 Cb 1.00 0.10 0.42 0.00 -0.00 0.00 0.00 43.42 44.95 1i5j n LEU 72 CO 0.36 0.14 0.88 -1.28 -0.00 0.00 0.00 177.39 177.48 1i5j h SER 73 N 0.00 0.00 0.00 1.45 0.87 -1.71 0.65 113.55 114.81 1i5j h SER 73 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1i5j h SER 73 Cb 1.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1i5j h SER 73 CO 0.03 0.00 -0.49 0.52 -0.53 0.00 0.00 176.83 176.37 1i5j n VAL 74 N -2.34 0.00 -0.03 2.23 0.31 -1.23 -2.56 118.33 114.71 1i5j n VAL 74 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1i5j n VAL 74 Cb 0.38 0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.89 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 -0.99 0.19 -0.00 7.52 4.77 -0.12 -4.73 117.00 123.64 1i5j n LEU 75 Ca 0.00 -0.52 0.03 0.00 -0.03 0.00 0.00 56.01 55.49 1i5j n LEU 75 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1i5j n LEU 75 CO 0.00 0.05 -0.04 0.29 -1.33 0.00 0.00 177.39 176.36 1i5j n LYS 76 N -0.66 4.86 0.00 3.23 4.01 -0.64 -4.94 118.16 124.01 1i5j n LYS 76 Ca 0.00 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1i5j n LYS 76 Cb 0.01 -0.79 0.00 0.00 -0.51 0.00 0.00 35.03 33.74 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 1.19 0.78 3.63 0.72 0.00 -0.99 -4.77 105.19 105.74 1i5j n GLY 77 Ca 0.01 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1i5j n GLY 77 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i5j n GLU 78 N 0.00 -1.92 -0.58 1.61 0.28 -1.04 -4.94 120.64 114.06 1i5j n GLU 78 Ca 0.00 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 1i5j n GLU 78 Cb 0.00 -4.54 0.00 0.00 1.43 0.00 0.00 31.44 28.33 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06