#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 -0.11 -0.31 4.78 3.04 -2.07 -3.14 116.94 119.13 1i5j h PHE 14 Ca 0.00 -0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 1i5j h PHE 14 Cb 0.00 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.54 1i5j h PHE 14 CO 0.00 -0.05 -0.42 1.37 -2.02 0.00 0.00 178.31 177.19 1i5j h LEU 15 N -1.03 0.91 -1.26 0.59 -0.00 -2.07 -3.01 115.31 109.44 1i5j h LEU 15 Ca -0.01 -0.50 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 1i5j h LEU 15 Cb 0.10 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1i5j h LEU 15 CO 0.02 1.23 0.00 0.74 -0.00 0.00 0.00 178.44 180.43 1i5j h THR 16 N 0.62 0.00 -0.30 0.15 2.02 -2.03 -2.65 112.91 110.72 1i5j h THR 16 Ca 0.04 -0.25 -0.17 0.00 0.77 0.00 0.00 66.41 66.80 1i5j h THR 16 Cb 1.02 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1i5j h THR 16 CO 0.10 0.00 -0.47 1.56 0.37 0.00 0.00 175.52 177.08 1i5j h GLN 17 N 0.00 0.81 -0.72 6.66 1.08 -1.47 -2.97 115.11 118.49 1i5j h GLN 17 Ca 0.00 -0.46 0.09 0.00 -1.45 0.00 0.00 58.65 56.83 1i5j h GLN 17 Cb 0.31 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 1i5j h GLN 17 CO 0.00 1.10 0.48 0.28 -0.95 0.00 0.00 178.83 179.73 1i5j h VAL 18 N 0.64 0.95 0.76 -0.54 2.07 -1.56 0.66 116.25 119.22 1i5j h VAL 18 Ca 0.03 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1i5j h VAL 18 Cb 1.05 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1i5j h VAL 18 CO 0.10 0.12 -0.36 0.50 0.02 0.00 0.00 177.57 177.95 1i5j h LYS 19 N 0.65 -0.98 0.00 1.57 1.63 -1.63 -0.75 116.57 117.06 1i5j h LYS 19 Ca 0.33 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1i5j h LYS 19 Cb 0.43 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1i5j h LYS 19 CO -0.11 -0.65 0.09 0.93 -3.45 0.00 0.00 179.45 176.25 1i5j h GLU 20 N -1.22 0.00 0.19 1.90 5.08 -1.39 0.25 114.58 119.40 1i5j h GLU 20 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1i5j h GLU 20 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1i5j h GLU 20 CO 0.17 0.00 -0.09 1.03 -1.00 0.00 0.00 179.01 179.12 1i5j h SER 21 N 0.00 -0.22 0.13 1.42 0.87 -0.48 -0.53 113.55 114.73 1i5j h SER 21 Ca 0.00 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1i5j h SER 21 Cb 0.18 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1i5j h SER 21 CO 0.00 0.30 -0.23 -0.07 -0.53 0.00 0.00 176.83 176.29 1i5j h LEU 22 N -1.03 0.19 -0.34 2.23 -0.00 -0.64 -2.10 115.31 113.62 1i5j h LEU 22 Ca -0.03 -0.05 -0.19 0.00 -0.00 0.00 0.00 57.88 57.62 1i5j h LEU 22 Cb 0.34 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1i5j h LEU 22 CO 0.04 0.43 -0.60 0.28 -0.00 0.00 0.00 178.44 178.59 1i5j h SER 23 N 0.18 0.84 0.18 -0.43 0.02 -0.60 -3.05 113.55 110.68 1i5j h SER 23 Ca 0.03 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 1i5j h SER 23 Cb 0.52 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1i5j h SER 23 CO 0.04 1.25 -0.30 0.77 -1.14 0.00 0.00 176.83 177.44 1i5j h SER 24 N 0.55 0.20 -0.88 3.07 4.64 -0.72 0.51 113.55 120.92 1i5j h SER 24 Ca -0.00 -0.06 0.17 0.00 -0.47 0.00 0.00 61.79 61.42 1i5j h SER 24 Cb 1.20 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.16 1i5j h SER 24 CO 0.12 0.50 0.58 0.22 -0.87 0.00 0.00 176.83 177.38 1i5j h TYR 25 N 0.18 0.69 0.00 4.77 5.03 -1.27 -0.14 116.97 126.22 1i5j h TYR 25 Ca 0.03 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 1i5j h TYR 25 Cb 0.63 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1i5j h TYR 25 CO 0.01 0.22 -2.01 1.87 -1.32 0.00 0.00 178.16 176.93 1i5j n TRP 26 N -4.55 0.00 -0.14 -3.82 -0.00 -0.92 -4.38 117.44 103.63 1i5j n TRP 26 Ca 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.61 1i5j n TRP 26 Cb 0.57 -0.55 0.10 0.00 -0.00 0.00 0.00 31.31 31.43 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 0.89 -0.70 5.87 4.81 0.14 -2.58 114.58 123.01 1i5j h GLU 27 Ca -0.08 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1i5j h GLU 27 Cb 1.15 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1i5j h GLU 27 CO 0.00 0.91 0.24 1.03 -0.73 0.00 0.00 179.01 180.47 1i5j h SER 28 N 0.81 0.98 -0.50 1.04 0.87 -1.29 0.82 113.55 116.29 1i5j h SER 28 Ca 0.14 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1i5j h SER 28 Cb 0.55 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1i5j h SER 28 CO 0.03 0.90 0.23 0.00 -0.53 0.00 0.00 176.83 177.46 1i5j h ALA 29 N 1.24 1.39 0.00 6.23 0.00 -1.70 -0.78 119.26 125.64 1i5j h ALA 29 Ca 0.23 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1i5j h ALA 29 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1i5j h ALA 29 CO -0.01 0.46 -0.59 0.87 0.00 0.00 0.00 179.25 179.98 1i5j h LYS 30 N 0.76 0.00 -0.32 0.00 1.79 -0.93 -3.30 116.57 114.58 1i5j h LYS 30 Ca 0.19 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.56 1i5j h LYS 30 Cb 0.13 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1i5j h LYS 30 CO -0.02 0.47 -0.17 1.15 -1.08 0.00 0.00 179.45 179.80 1i5j h THR 31 N 0.00 1.29 -0.08 -0.16 2.02 0.19 -2.49 112.91 113.68 1i5j h THR 31 Ca -0.02 -1.28 0.02 0.00 0.77 0.00 0.00 66.41 65.90 1i5j h THR 31 Cb 1.40 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1i5j h THR 31 CO 0.06 0.41 0.23 0.00 0.37 0.00 0.00 175.52 176.60 1i5j h ALA 32 N 0.76 1.45 0.03 6.16 0.00 -1.27 0.80 119.26 127.20 1i5j h ALA 32 Ca 0.07 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1i5j h ALA 32 Cb 0.70 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1i5j h ALA 32 CO 0.05 -0.27 -1.38 0.00 0.00 0.00 0.00 179.25 177.65 1i5j h ALA 33 N 1.62 0.46 0.11 0.00 0.00 -1.58 -3.25 119.26 116.62 1i5j h ALA 33 Ca 0.04 -1.14 -0.30 0.00 0.00 0.00 0.00 54.91 53.51 1i5j h ALA 33 Cb 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1i5j h ALA 33 CO -0.00 1.33 -1.49 1.96 0.00 0.00 0.00 179.25 181.04 1i5j h GLN 34 N 0.02 0.23 -0.29 0.00 7.50 -0.09 -3.34 115.11 119.15 1i5j h GLN 34 Ca -0.16 -0.40 0.03 0.00 0.50 0.00 0.00 58.65 58.62 1i5j h GLN 34 Cb 1.92 0.15 -0.03 0.00 0.05 0.00 0.00 27.48 29.56 1i5j h GLN 34 CO 0.12 1.10 0.08 -0.97 -1.50 0.00 0.00 178.83 177.66 1i5j h ASN 35 N 0.06 0.06 -0.87 1.46 -0.73 0.26 0.92 115.58 116.75 1i5j h ASN 35 Ca -0.23 0.04 0.15 0.00 1.87 0.00 0.00 56.30 58.13 1i5j h ASN 35 Cb 2.00 0.04 -0.07 0.00 0.27 0.00 0.00 38.32 40.56 1i5j h ASN 35 CO 0.16 0.07 0.56 0.25 -0.37 0.00 0.00 177.43 178.10 1i5j h LEU 36 N 0.20 0.60 -1.27 0.34 5.85 -1.69 0.29 115.31 119.63 1i5j h LEU 36 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1i5j h LEU 36 Cb 0.12 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1i5j h LEU 36 CO -0.15 0.30 -0.02 0.00 -0.34 0.00 0.00 178.44 178.23 1i5j n TYR 37 N -4.55 0.00 -2.50 1.25 9.36 -0.65 -4.93 117.16 115.15 1i5j n TYR 37 Ca 0.17 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.23 1i5j n TYR 37 Cb 0.49 -0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.20 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 0.53 -2.17 -1.39 2.98 4.07 0.10 -1.84 120.64 122.92 1i5j n GLU 38 Ca 0.17 0.74 -0.14 0.00 -0.06 0.00 0.00 57.16 57.86 1i5j n GLU 38 Cb 0.44 -5.12 -0.06 0.00 -0.06 0.00 0.00 31.44 26.64 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 -2.78 -1.40 0.07 5.31 5.02 0.28 -3.15 118.16 121.52 1i5j n LYS 39 Ca -0.15 0.86 0.13 0.00 -2.02 0.00 0.00 58.31 57.14 1i5j n LYS 39 Cb 0.62 -5.12 0.47 0.00 -0.02 0.00 0.00 35.03 30.98 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 -1.97 0.43 -0.19 -0.18 -1.04 -0.77 -3.56 114.28 107.00 1i5j n THR 40 Ca -0.14 -0.17 0.24 0.00 -2.04 0.00 0.00 64.05 61.94 1i5j n THR 40 Cb 0.50 -0.59 0.63 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.00 0.23 -3.34 -1.42 5.03 -1.87 -3.39 116.97 112.21 1i5j h TYR 41 Ca 0.00 0.01 -0.57 0.00 2.58 0.00 0.00 58.73 60.75 1i5j h TYR 41 Cb 0.64 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.79 1i5j h TYR 41 CO 0.00 0.06 -0.00 -0.51 -1.32 0.00 0.00 178.16 176.38 1i5j s LEU 42 N -8.92 4.32 0.00 2.82 1.43 -1.23 -4.96 118.68 112.13 1i5j s LEU 42 Ca -0.06 1.06 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 1i5j s LEU 42 Cb 0.22 -2.93 -0.19 0.00 0.03 0.00 0.00 46.19 43.32 1i5j s LEU 42 CO 0.77 -0.05 2.88 -0.81 0.23 0.00 0.00 176.35 179.37 1i5j n PRO 43 N 3.60 1.53 -0.26 1.29 -0.04 -1.26 -3.03 135.00 136.84 1i5j n PRO 43 Ca -0.04 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1i5j n PRO 43 Cb 0.51 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 2.40 1.33 0.02 0.55 0.00 -1.26 -5.02 120.51 118.53 1i5j n ALA 44 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1i5j n ALA 44 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 0.46 -2.59 0.00 0.31 -1.17 -4.17 118.33 111.18 1i5j n VAL 45 Ca 0.00 0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1i5j n VAL 45 Cb 0.41 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.90 -7.38 -2.11 4.52 9.92 -1.26 0.98 116.55 118.32 1i5j n ASP 46 Ca 0.00 1.24 -0.11 0.00 -0.53 0.00 0.00 54.79 55.39 1i5j n ASP 46 Cb 0.00 -4.88 -0.02 0.00 -0.64 0.00 0.00 41.12 35.58 1i5j n ASP 46 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1i5j n GLU 47 N 0.58 -1.99 -2.42 -1.24 1.02 -1.19 0.64 120.64 116.05 1i5j n GLU 47 Ca 0.01 0.57 -0.11 0.00 -0.02 0.00 0.00 57.16 57.61 1i5j n GLU 47 Cb 0.02 -5.05 -0.01 0.00 -0.02 0.00 0.00 31.44 26.39 1i5j n GLU 47 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1i5j n LYS 48 N -2.46 -2.30 -0.00 3.49 2.85 -1.23 -4.73 118.16 113.78 1i5j n LYS 48 Ca -0.13 0.52 -0.01 0.00 -1.05 0.00 0.00 58.31 57.65 1i5j n LYS 48 Cb 0.53 -5.10 -0.00 0.00 -0.65 0.00 0.00 35.03 29.80 1i5j n LYS 48 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1i5j n LEU 49 N -2.74 2.25 -0.07 -5.58 7.94 0.21 -4.65 117.00 114.36 1i5j n LEU 49 Ca -0.13 -0.00 0.14 0.00 -1.11 0.00 0.00 56.01 54.91 1i5j n LEU 49 Cb 0.59 -0.03 0.63 0.00 0.53 0.00 0.00 43.42 45.14 1i5j n LEU 49 CO 0.15 0.39 0.89 -1.14 -1.11 0.00 0.00 177.39 176.57 1i5j n ARG 50 N -2.66 0.53 0.24 1.96 0.63 -0.28 -3.87 116.66 113.21 1i5j n ARG 50 Ca -0.02 -0.15 -0.15 0.00 -0.92 0.00 0.00 57.85 56.62 1i5j n ARG 50 Cb 0.52 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.85 1i5j n ARG 50 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1i5j h ASP 51 N 0.36 -0.49 -1.09 6.15 1.82 0.46 -2.60 116.42 121.02 1i5j h ASP 51 Ca 0.00 -0.06 0.30 0.00 -0.39 0.00 0.00 57.03 56.88 1i5j h ASP 51 Cb 0.36 0.13 -0.07 0.00 0.68 0.00 0.00 39.33 40.43 1i5j h ASP 51 CO 0.00 -0.24 0.75 0.17 -1.61 0.00 0.00 179.24 178.31 1i5j h LEU 52 N -0.73 0.18 0.54 2.28 8.10 -1.85 0.94 115.31 124.76 1i5j h LEU 52 Ca -0.06 0.04 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 1i5j h LEU 52 Cb 0.52 0.01 0.01 0.00 -0.44 0.00 0.00 40.66 40.75 1i5j h LEU 52 CO 0.10 0.03 -0.26 0.22 -4.11 0.00 0.00 178.44 174.42 1i5j h TYR 53 N 0.16 -0.67 -0.35 0.17 3.20 -1.67 -2.59 116.97 115.22 1i5j h TYR 53 Ca 0.56 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1i5j h TYR 53 Cb 1.89 0.22 0.00 0.00 1.54 0.00 0.00 36.73 40.38 1i5j h TYR 53 CO -0.00 -0.35 0.00 0.45 -1.64 0.00 0.00 178.16 176.62 1i5j n SER 54 N -5.31 3.32 -0.00 -2.11 2.88 -0.28 -3.21 113.62 108.91 1i5j n SER 54 Ca -0.11 -2.39 0.03 0.00 -1.33 0.00 0.00 58.87 55.07 1i5j n SER 54 Cb 0.33 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.46 3.56 -0.03 -1.46 4.81 0.31 -2.98 118.16 122.83 1i5j n LYS 55 Ca 0.15 -0.02 -0.01 0.00 -0.87 0.00 0.00 58.31 57.57 1i5j n LYS 55 Cb 0.67 -0.87 -0.06 0.00 0.02 0.00 0.00 35.03 34.79 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 -1.31 3.06 -0.84 3.14 7.64 -0.98 -3.85 113.62 120.48 1i5j n SER 56 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1i5j n SER 56 Cb 0.10 0.94 0.15 0.00 -1.01 0.00 0.00 64.21 64.39 1i5j n SER 56 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1i5j n THR 57 N -2.12 0.50 0.00 0.44 5.66 -1.20 -4.09 114.28 113.47 1i5j n THR 57 Ca -0.09 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1i5j n THR 57 Cb 0.57 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i5j n ALA 58 N 1.02 1.95 0.23 1.79 0.00 -1.26 -4.04 120.51 120.21 1i5j n ALA 58 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1i5j n ALA 58 Cb 0.48 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.43 1.30 0.00 0.00 0.00 -1.16 -0.35 120.51 117.88 1i5j n ALA 59 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1i5j n ALA 59 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.73 0.00 0.03 0.00 0.00 -1.25 -4.55 117.12 109.62 1i5j n MET 60 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.50 1i5j n MET 60 Cb 0.09 -0.68 -0.14 0.00 0.00 0.00 0.00 33.22 32.49 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 0.44 1.40 3.17 0.87 -1.71 -3.31 113.55 114.41 1i5j h SER 61 Ca 0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1i5j h SER 61 Cb 0.54 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1i5j h SER 61 CO 0.00 1.51 -0.38 0.74 -0.53 0.00 0.00 176.83 178.16 1i5j h THR 62 N -0.33 0.00 -0.03 2.23 2.02 -1.47 -3.29 112.91 112.04 1i5j h THR 62 Ca -0.22 -0.79 -0.12 0.00 0.77 0.00 0.00 66.41 66.05 1i5j h THR 62 Cb 1.71 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1i5j h THR 62 CO 0.11 0.00 -0.54 0.22 0.37 0.00 0.00 175.52 175.68 1i5j h TYR 63 N 0.00 0.10 -0.31 3.16 3.20 -0.83 -2.64 116.97 119.66 1i5j h TYR 63 Ca 0.00 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.92 1i5j h TYR 63 Cb 0.89 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1i5j h TYR 63 CO 0.00 0.61 0.36 1.15 -1.64 0.00 0.00 178.16 178.64 1i5j h THR 64 N 0.07 0.37 0.00 1.81 2.02 -1.65 1.01 112.91 116.54 1i5j h THR 64 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1i5j h THR 64 Cb 0.98 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1i5j h THR 64 CO 0.07 0.00 -1.46 0.61 0.37 0.00 0.00 175.52 175.12 1i5j n GLY 65 N -1.44 -1.26 0.02 2.16 0.00 -1.01 -4.04 105.19 99.63 1i5j n GLY 65 Ca 0.05 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.52 0.11 -0.06 -0.61 2.08 0.20 -4.19 119.36 114.36 1i5j n ILE 66 Ca -0.03 -0.14 -0.11 0.00 0.56 0.00 0.00 62.75 63.04 1i5j n ILE 66 Cb 0.58 0.31 -0.04 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 0.33 0.00 1.39 3.04 0.58 -2.45 116.94 119.82 1i5j h PHE 67 Ca 0.00 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1i5j h PHE 67 Cb 0.63 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1i5j h PHE 67 CO 0.00 0.38 -0.05 1.15 -2.02 0.00 0.00 178.31 177.77 1i5j h THR 68 N 0.18 0.17 -0.49 4.41 2.02 -1.77 -2.89 112.91 114.54 1i5j h THR 68 Ca 0.07 -0.55 0.14 0.00 0.77 0.00 0.00 66.41 66.84 1i5j h THR 68 Cb 0.20 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1i5j h THR 68 CO -0.00 0.05 0.42 -0.78 0.37 0.00 0.00 175.52 175.58 1i5j h ASP 69 N 0.00 0.00 -0.21 4.18 3.58 -1.60 0.84 116.42 123.20 1i5j h ASP 69 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1i5j h ASP 69 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1i5j h ASP 69 CO 0.01 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 1i5j n GLN 70 N -4.03 1.80 -0.05 0.28 6.02 -1.09 -3.67 117.38 116.64 1i5j n GLN 70 Ca 0.09 -1.22 -0.05 0.00 -0.01 0.00 0.00 57.00 55.81 1i5j n GLN 70 Cb 0.63 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.49 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 0.45 0.88 0.14 5.09 0.31 0.29 -4.17 118.33 121.31 1i5j n VAL 71 Ca 0.16 0.28 0.17 0.00 -0.01 0.00 0.00 64.34 64.94 1i5j n VAL 71 Cb 0.35 -1.96 0.75 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.55 0.00 0.00 7.52 -0.00 -1.70 0.96 115.31 121.55 1i5j h LEU 72 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1i5j h LEU 72 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1i5j h LEU 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 178.44 178.20 1i5j n SER 73 N -4.11 0.00 0.00 0.17 2.88 -1.24 -1.23 113.62 110.10 1i5j n SER 73 Ca 0.04 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1i5j n SER 73 Cb 0.40 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.47 0.00 -0.27 2.46 0.31 0.28 -3.73 118.33 115.91 1i5j n VAL 74 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1i5j n VAL 74 Cb 0.23 0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 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 -1.42 0.15 -0.00 7.52 -0.00 0.18 -4.81 117.00 118.61 1i5j n LEU 75 Ca 0.00 -0.25 0.07 0.00 -0.00 0.00 0.00 56.01 55.83 1i5j n LEU 75 Cb 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.44 1i5j n LEU 75 CO 0.00 0.04 -0.17 0.29 -0.00 0.00 0.00 177.39 177.54 1i5j n LYS 76 N -0.20 1.95 0.00 1.47 4.76 -0.39 -4.97 118.16 120.78 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 0.07 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 1.41 0.97 3.06 0.72 0.00 -0.80 -4.83 105.19 105.72 1i5j n GLY 77 Ca 0.01 0.00 -0.13 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 -2.33 -0.58 1.61 2.13 -0.65 -4.94 120.64 115.88 1i5j n GLU 78 Ca 0.00 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1i5j n GLU 78 Cb 0.00 -5.35 0.00 0.00 0.27 0.00 0.00 31.44 26.36 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11