#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 0.35 -0.83 4.78 3.57 -2.07 -3.06 116.94 119.68 1i5j h PHE 14 Ca 0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1i5j h PHE 14 Cb 0.00 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1i5j h PHE 14 CO 0.00 0.64 0.49 1.37 -2.23 0.00 0.00 178.31 178.58 1i5j h LEU 15 N 0.26 1.01 -1.08 0.59 -0.00 -2.06 -1.46 115.31 112.56 1i5j h LEU 15 Ca 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1i5j h LEU 15 Cb 0.79 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1i5j h LEU 15 CO 0.06 0.79 0.00 0.00 -0.00 0.00 0.00 178.44 179.29 1i5j h THR 16 N 1.14 0.00 0.00 0.15 1.03 -1.98 -2.67 112.91 110.58 1i5j h THR 16 Ca 0.30 -0.43 -0.01 0.00 -0.01 0.00 0.00 66.41 66.25 1i5j h THR 16 Cb -0.02 1.33 -0.00 0.00 -1.07 0.00 0.00 68.15 68.39 1i5j h THR 16 CO -0.05 0.00 -0.06 -0.61 -0.01 0.00 0.00 175.52 174.78 1i5j h GLN 17 N 0.00 0.00 0.02 0.00 4.15 -1.21 -1.75 115.11 116.32 1i5j h GLN 17 Ca 0.00 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.04 1i5j h GLN 17 Cb 0.49 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.12 1i5j h GLN 17 CO 0.00 0.06 -2.35 0.28 -1.93 0.00 0.00 178.83 174.89 1i5j n VAL 18 N -3.25 1.52 0.33 2.39 0.31 -1.02 -3.83 118.33 114.78 1i5j n VAL 18 Ca -0.01 -0.66 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 1i5j n VAL 18 Cb 0.27 -1.23 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 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 0.01 -0.83 -0.00 5.55 1.57 -1.44 -0.42 116.57 121.00 1i5j h LYS 19 Ca -0.53 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1i5j h LYS 19 Cb 2.00 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 34.50 1i5j h LYS 19 CO -0.03 -0.55 0.12 0.93 -0.57 0.00 0.00 179.45 179.35 1i5j h GLU 20 N -1.09 0.00 0.18 3.15 5.08 -1.57 0.22 114.58 120.55 1i5j h GLU 20 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1i5j h GLU 20 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1i5j h GLU 20 CO 0.14 0.00 -0.09 1.03 -1.00 0.00 0.00 179.01 179.10 1i5j h SER 21 N 0.00 -0.20 -0.23 1.42 0.87 -1.59 -2.16 113.55 111.66 1i5j h SER 21 Ca 0.00 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1i5j h SER 21 Cb 0.24 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1i5j h SER 21 CO -0.00 0.30 0.05 0.25 -0.53 0.00 0.00 176.83 176.90 1i5j h LEU 22 N -1.04 0.43 -0.99 2.23 7.12 -0.53 -1.85 115.31 120.67 1i5j h LEU 22 Ca -0.02 -0.06 -0.09 0.00 0.13 0.00 0.00 57.88 57.83 1i5j h LEU 22 Cb 0.28 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1i5j h LEU 22 CO 0.04 0.46 -0.26 -1.28 -0.13 0.00 0.00 178.44 177.26 1i5j h SER 23 N 0.46 0.42 -0.31 1.25 0.87 -0.69 -2.70 113.55 112.85 1i5j h SER 23 Ca 0.11 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 1i5j h SER 23 Cb 0.22 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1i5j h SER 23 CO 0.00 0.68 0.04 0.28 -0.53 0.00 0.00 176.83 177.30 1i5j h SER 24 N 0.37 0.58 -0.87 6.23 0.02 -0.64 1.09 113.55 120.32 1i5j h SER 24 Ca 0.05 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1i5j h SER 24 Cb 0.66 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.98 1i5j h SER 24 CO 0.05 0.62 0.56 0.22 -1.14 0.00 0.00 176.83 177.15 1i5j h TYR 25 N 0.59 0.82 0.00 3.45 5.03 -1.30 -1.35 116.97 124.21 1i5j h TYR 25 Ca 0.13 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1i5j h TYR 25 Cb 0.32 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.34 1i5j h TYR 25 CO 0.01 0.33 -1.41 0.91 -1.32 0.00 0.00 178.16 176.68 1i5j n TRP 26 N -4.55 0.00 -0.06 -3.82 7.02 -0.83 -4.37 117.44 110.84 1i5j n TRP 26 Ca 0.16 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.66 1i5j n TRP 26 Cb 0.43 -0.23 0.35 0.00 -2.42 0.00 0.00 31.31 29.44 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 0.65 -0.53 -0.99 4.22 0.24 -1.68 114.58 116.49 1i5j h GLU 27 Ca 0.00 -0.06 -0.07 0.00 0.08 0.00 0.00 59.36 59.30 1i5j h GLU 27 Cb 0.68 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1i5j h GLU 27 CO 0.00 0.48 0.04 1.03 -2.18 0.00 0.00 179.01 178.38 1i5j h SER 28 N 0.66 0.88 -0.38 1.04 0.87 -1.71 0.41 113.55 115.33 1i5j h SER 28 Ca 0.17 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1i5j h SER 28 Cb 0.01 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1i5j h SER 28 CO -0.03 0.95 0.22 0.00 -0.53 0.00 0.00 176.83 177.44 1i5j h ALA 29 N 0.96 1.63 0.00 6.23 0.00 -1.59 0.23 119.26 126.72 1i5j h ALA 29 Ca 0.15 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1i5j h ALA 29 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1i5j h ALA 29 CO 0.02 0.31 -0.61 0.87 0.00 0.00 0.00 179.25 179.84 1i5j h LYS 30 N 0.55 0.00 0.08 0.00 1.57 -0.66 -3.27 116.57 114.85 1i5j h LYS 30 Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i5j h LYS 30 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1i5j h LYS 30 CO -0.02 0.61 -0.04 1.15 -0.57 0.00 0.00 179.45 180.58 1i5j h THR 31 N 0.00 1.15 -0.26 -0.16 2.02 0.18 -1.57 112.91 114.26 1i5j h THR 31 Ca -0.01 -0.89 0.08 0.00 0.77 0.00 0.00 66.41 66.36 1i5j h THR 31 Cb 1.41 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 1i5j h THR 31 CO 0.08 0.22 0.37 0.00 0.37 0.00 0.00 175.52 176.56 1i5j h ALA 32 N 0.34 1.85 0.24 6.16 0.00 -1.27 0.33 119.26 126.92 1i5j h ALA 32 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1i5j h ALA 32 Cb 0.44 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.28 1i5j h ALA 32 CO 0.02 -0.50 -1.41 0.00 0.00 0.00 0.00 179.25 177.36 1i5j h ALA 33 N 1.50 -0.14 -0.23 0.00 0.00 -1.53 -3.27 119.26 115.59 1i5j h ALA 33 Ca 0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1i5j h ALA 33 Cb 0.86 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1i5j h ALA 33 CO -0.00 0.66 0.11 1.96 0.00 0.00 0.00 179.25 181.98 1i5j h GLN 34 N 0.07 0.31 0.53 0.00 4.20 0.62 0.53 115.11 121.38 1i5j h GLN 34 Ca -0.25 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 1i5j h GLN 34 Cb 2.10 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.80 1i5j h GLN 34 CO 0.26 0.25 -0.45 -0.97 -0.67 0.00 0.00 178.83 177.25 1i5j h ASN 35 N 0.32 -1.19 1.05 1.46 -1.24 -1.34 1.33 115.58 115.98 1i5j h ASN 35 Ca 0.08 0.09 -0.13 0.00 0.71 0.00 0.00 56.30 57.05 1i5j h ASN 35 Cb 0.04 0.38 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 1i5j h ASN 35 CO -0.01 -0.63 -1.00 0.25 -1.29 0.00 0.00 177.43 174.75 1i5j h LEU 36 N -0.96 0.00 -1.08 0.34 5.85 -1.62 0.47 115.31 118.32 1i5j h LEU 36 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1i5j h LEU 36 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1i5j h LEU 36 CO -0.02 0.50 -0.25 -1.22 -0.34 0.00 0.00 178.44 177.11 1i5j n TYR 37 N -3.01 0.00 0.00 1.25 4.02 0.18 -3.99 117.16 115.62 1i5j n TYR 37 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1i5j n TYR 37 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1i5j n GLU 38 N 0.15 0.00 -0.12 -0.72 -0.58 0.38 -4.63 120.64 115.12 1i5j n GLU 38 Ca 0.08 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.73 1i5j n GLU 38 Cb 0.36 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.22 1i5j n GLU 38 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1i5j h LYS 39 N 0.00 0.52 0.00 3.49 2.10 0.74 -2.61 116.57 120.81 1i5j h LYS 39 Ca 0.00 -0.06 -0.10 0.00 -2.00 0.00 0.00 60.65 58.49 1i5j h LYS 39 Cb 0.00 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 1i5j h LYS 39 CO 0.00 0.43 -0.45 1.15 -2.00 0.00 0.00 179.45 178.58 1i5j h THR 40 N 0.47 1.03 0.00 0.07 2.02 -0.21 -2.96 112.91 113.34 1i5j h THR 40 Ca 0.13 -1.74 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1i5j h THR 40 Cb 0.07 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1i5j h THR 40 CO -0.02 0.44 -0.07 0.22 0.37 0.00 0.00 175.52 176.47 1i5j h TYR 41 N 0.00 0.00 -3.50 3.16 3.20 -1.60 -3.44 116.97 114.79 1i5j h TYR 41 Ca -0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 1i5j h TYR 41 Cb 0.99 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.11 1i5j h TYR 41 CO 0.00 0.07 -0.69 -0.51 -1.64 0.00 0.00 178.16 175.39 1i5j s LEU 42 N -6.97 2.36 0.00 2.82 1.43 -1.12 -5.02 118.68 112.18 1i5j s LEU 42 Ca -0.03 -1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1i5j s LEU 42 Cb 0.13 -0.23 -0.13 0.00 0.03 0.00 0.00 46.19 45.99 1i5j s LEU 42 CO 0.54 -0.44 2.21 -0.81 0.23 0.00 0.00 176.35 178.08 1i5j n PRO 43 N -0.24 1.13 -3.84 1.29 -0.04 -1.26 -4.65 135.00 127.38 1i5j n PRO 43 Ca -0.08 -0.47 -0.30 0.00 -0.04 0.00 0.00 63.50 62.61 1i5j n PRO 43 Cb 0.62 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 2.39 -1.15 0.00 0.55 0.00 -1.25 -4.76 120.51 116.29 1i5j n ALA 44 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1i5j n ALA 44 Cb 0.53 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 -3.91 0.00 0.26 0.00 0.31 -1.26 -4.59 118.33 109.13 1i5j n VAL 45 Ca 0.05 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1i5j n VAL 45 Cb 0.49 -0.96 0.67 0.00 -0.91 0.00 0.00 33.84 33.14 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 0.00 0.07 4.52 5.19 -1.93 -2.53 116.42 121.74 1i5j h ASP 46 Ca 0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 1i5j h ASP 46 Cb 0.96 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.49 1i5j h ASP 46 CO 0.00 0.06 -0.78 1.05 -3.12 0.00 0.00 179.24 176.45 1i5j h GLU 47 N 0.00 0.41 -0.73 3.56 4.11 -1.96 0.01 114.58 119.97 1i5j h GLU 47 Ca -0.00 -0.53 0.10 0.00 0.07 0.00 0.00 59.36 59.00 1i5j h GLU 47 Cb 0.12 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1i5j h GLU 47 CO 0.01 1.20 0.48 0.87 0.07 0.00 0.00 179.01 181.64 1i5j h LYS 48 N -0.13 0.59 0.00 1.06 1.79 -1.72 0.20 116.57 118.36 1i5j h LYS 48 Ca -0.12 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 1i5j h LYS 48 Cb 1.52 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1i5j h LYS 48 CO 0.15 0.39 -0.87 1.37 -1.08 0.00 0.00 179.45 179.41 1i5j h LEU 49 N 0.61 0.00 0.00 2.94 8.10 -1.49 -3.31 115.31 122.16 1i5j h LEU 49 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.33 1i5j h LEU 49 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 1i5j h LEU 49 CO -0.12 0.11 -0.30 0.54 -4.11 0.00 0.00 178.44 174.56 1i5j n ARG 50 N -2.81 0.21 -0.05 0.17 5.12 0.12 -3.88 116.66 115.54 1i5j n ARG 50 Ca -0.01 0.11 -0.13 0.00 -1.93 0.00 0.00 57.85 55.90 1i5j n ARG 50 Cb 0.60 -1.68 -0.07 0.00 -1.16 0.00 0.00 32.46 30.14 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1i5j h ASP 51 N 0.00 0.33 -1.31 0.55 5.19 -0.80 -2.94 116.42 117.44 1i5j h ASP 51 Ca 0.00 -0.47 0.38 0.00 -0.62 0.00 0.00 57.03 56.32 1i5j h ASP 51 Cb 0.68 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.04 1i5j h ASP 51 CO 0.00 0.73 0.93 0.17 -3.12 0.00 0.00 179.24 177.95 1i5j h LEU 52 N -0.07 0.07 0.10 1.55 8.10 -1.75 0.38 115.31 123.70 1i5j h LEU 52 Ca 0.02 0.02 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 1i5j h LEU 52 Cb 0.63 0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1i5j h LEU 52 CO 0.03 -0.00 -0.05 0.22 -4.11 0.00 0.00 178.44 174.53 1i5j h TYR 53 N 0.05 -0.12 0.00 0.17 5.03 -1.74 -2.94 116.97 117.42 1i5j h TYR 53 Ca 0.65 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.95 1i5j h TYR 53 Cb 2.45 0.04 0.00 0.00 1.55 0.00 0.00 36.73 40.77 1i5j h TYR 53 CO -0.00 0.23 0.00 0.43 -1.32 0.00 0.00 178.16 177.50 1i5j n SER 54 N -4.83 0.03 -0.01 -2.11 7.64 -0.25 -2.41 113.62 111.68 1i5j n SER 54 Ca -0.05 -1.74 0.02 0.00 1.01 0.00 0.00 58.87 58.10 1i5j n SER 54 Cb 0.20 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.48 0.74 -0.14 1.43 0.00 0.12 -3.26 118.16 116.57 1i5j n LYS 55 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 58.31 58.32 1i5j n LYS 55 Cb 0.01 -1.13 0.13 0.00 0.00 0.00 0.00 35.03 34.04 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i5j n SER 56 N -1.78 2.71 0.00 3.14 7.64 -1.11 -2.47 113.62 121.75 1i5j n SER 56 Ca -0.02 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1i5j n SER 56 Cb 0.24 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.48 0.00 0.00 0.44 5.66 -1.01 -4.83 114.28 115.02 1i5j n THR 57 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1i5j n THR 57 Cb 0.39 0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -1.59 1.89 0.20 1.79 0.00 -1.26 -4.62 120.51 116.91 1i5j n ALA 58 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1i5j n ALA 58 Cb 0.12 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.01 1.17 -0.06 0.00 0.00 -1.20 -0.57 120.51 117.84 1i5j n ALA 59 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 1i5j n ALA 59 Cb 0.00 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.15 1.19 0.14 0.00 0.00 -1.03 -3.96 117.12 111.31 1i5j n MET 60 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1i5j n MET 60 Cb 0.07 -1.27 0.15 0.00 0.00 0.00 0.00 33.22 32.17 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 0.00 0.40 3.17 0.87 -1.74 -0.82 113.55 115.43 1i5j h SER 61 Ca -0.30 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 59.95 1i5j h SER 61 Cb 1.55 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.49 1i5j h SER 61 CO -0.02 0.60 -1.70 0.74 -0.53 0.00 0.00 176.83 175.92 1i5j h THR 62 N 0.00 0.92 0.03 2.23 2.02 -1.08 -3.37 112.91 113.67 1i5j h THR 62 Ca -0.01 -2.67 -0.22 0.00 0.77 0.00 0.00 66.41 64.29 1i5j h THR 62 Cb 1.18 2.57 -0.02 0.00 -1.74 0.00 0.00 68.15 70.15 1i5j h THR 62 CO 0.08 0.73 -0.99 0.22 0.37 0.00 0.00 175.52 175.92 1i5j h TYR 63 N 0.04 0.21 -0.34 3.16 5.03 -1.68 -3.16 116.97 120.23 1i5j h TYR 63 Ca -0.30 -0.14 0.10 0.00 2.58 0.00 0.00 58.73 60.98 1i5j h TYR 63 Cb 2.01 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.26 1i5j h TYR 63 CO 0.04 1.03 0.41 1.79 -1.32 0.00 0.00 178.16 180.11 1i5j h THR 64 N 0.05 0.34 0.00 1.81 1.35 -1.29 1.25 112.91 116.41 1i5j h THR 64 Ca -0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.76 1i5j h THR 64 Cb 1.69 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1i5j h THR 64 CO 0.15 0.00 -1.41 0.61 -0.25 0.00 0.00 175.52 174.61 1i5j n GLY 65 N -1.45 -1.27 0.06 5.82 0.00 -1.20 -4.10 105.19 103.06 1i5j n GLY 65 Ca 0.06 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.60 0.30 0.34 -0.61 2.08 0.19 -3.61 119.36 115.46 1i5j n ILE 66 Ca -0.04 -0.43 -0.14 0.00 0.56 0.00 0.00 62.75 62.69 1i5j n ILE 66 Cb 0.63 -0.06 -0.07 0.00 -0.75 0.00 0.00 39.64 39.40 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 -0.84 0.00 1.39 3.57 0.11 -3.14 116.94 118.02 1i5j h PHE 67 Ca 0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1i5j h PHE 67 Cb 0.91 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1i5j h PHE 67 CO 0.00 -0.52 -0.19 1.15 -2.23 0.00 0.00 178.31 176.52 1i5j h THR 68 N -1.18 0.75 -0.26 4.41 2.02 -1.77 -2.58 112.91 114.30 1i5j h THR 68 Ca -0.09 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.41 1i5j h THR 68 Cb 0.69 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1i5j h THR 68 CO 0.15 0.18 0.25 -0.78 0.37 0.00 0.00 175.52 175.69 1i5j h ASP 69 N 0.00 0.00 -0.61 4.18 3.58 -1.60 0.28 116.42 122.24 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 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1i5j h ASP 69 CO 0.02 0.00 0.00 1.67 -2.88 0.00 0.00 179.24 178.05 1i5j n GLN 70 N -3.99 2.72 -0.11 0.28 -0.06 -0.97 -3.62 117.38 111.62 1i5j n GLN 70 Ca 0.03 -2.48 -0.24 0.00 -2.00 0.00 0.00 57.00 52.32 1i5j n GLN 70 Cb 0.39 -1.49 -0.09 0.00 -4.06 0.00 0.00 30.24 24.99 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1i5j n VAL 71 N 1.37 1.26 0.07 1.69 0.31 0.92 -4.23 118.33 119.72 1i5j n VAL 71 Ca 0.21 -0.34 -0.06 0.00 -0.01 0.00 0.00 64.34 64.14 1i5j n VAL 71 Cb 0.57 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 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 -0.72 0.00 -1.88 7.52 -0.00 -1.63 0.55 115.31 119.16 1i5j h LEU 72 Ca -0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 1i5j h LEU 72 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.20 1i5j h LEU 72 CO -0.32 0.93 0.00 -1.28 -0.00 0.00 0.00 178.44 177.77 1i5j h SER 73 N 0.00 0.00 0.00 0.17 0.87 -1.77 0.93 113.55 113.75 1i5j h SER 73 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1i5j h SER 73 Cb 1.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1i5j h SER 73 CO 0.12 0.00 -0.75 0.52 -0.53 0.00 0.00 176.83 176.19 1i5j n VAL 74 N -3.04 0.00 0.12 2.23 0.31 -1.20 -2.10 118.33 114.65 1i5j n VAL 74 Ca -0.00 -0.03 0.03 0.00 -0.01 0.00 0.00 64.34 64.32 1i5j n VAL 74 Cb 0.23 0.45 -0.04 0.00 -0.91 0.00 0.00 33.84 33.57 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 -1.19 0.12 -0.00 7.52 4.77 0.19 -4.64 117.00 123.77 1i5j n LEU 75 Ca 0.00 -0.23 0.07 0.00 -0.03 0.00 0.00 56.01 55.83 1i5j n LEU 75 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1i5j n LEU 75 CO 0.00 0.03 -0.34 0.29 -1.33 0.00 0.00 177.39 176.04 1i5j n LYS 76 N -1.45 1.35 0.00 3.23 5.02 0.18 -4.94 118.16 121.55 1i5j n LYS 76 Ca -0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1i5j n LYS 76 Cb 0.13 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.48 0.95 2.58 0.72 0.00 -0.82 -4.77 105.19 105.33 1i5j n GLY 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.02 -0.60 1.61 2.13 -0.89 -4.96 120.64 115.91 1i5j n GLU 78 Ca 0.00 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1i5j n GLU 78 Cb 0.00 -4.30 0.00 0.00 0.27 0.00 0.00 31.44 27.41 1i5j n GLU 78 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11