#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 0.96 0.00 4.78 3.57 -2.07 -3.26 116.94 120.93 1i5j h PHE 14 Ca 0.00 -0.56 -0.34 0.00 3.53 0.00 0.00 57.97 60.60 1i5j h PHE 14 Cb 0.00 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1i5j h PHE 14 CO 0.00 1.39 -1.90 1.28 -2.23 0.00 0.00 178.31 176.85 1i5j n LEU 15 N -3.81 1.91 -0.27 0.59 4.77 -1.26 -4.34 117.00 114.60 1i5j n LEU 15 Ca -0.11 0.38 0.33 0.00 -0.03 0.00 0.00 56.01 56.58 1i5j n LEU 15 Cb 0.92 -0.88 0.73 0.00 -2.33 0.00 0.00 43.42 41.86 1i5j n LEU 15 CO 0.56 0.39 1.30 0.74 -1.33 0.00 0.00 177.39 179.05 1i5j h THR 16 N -1.00 0.37 0.00 -5.08 2.02 -2.01 0.79 112.91 108.01 1i5j h THR 16 Ca -0.51 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1i5j h THR 16 Cb 1.43 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1i5j h THR 16 CO -0.31 0.00 -0.16 -0.61 0.37 0.00 0.00 175.52 174.81 1i5j h GLN 17 N 0.00 0.00 0.09 6.66 4.15 -1.75 -2.32 115.11 121.94 1i5j h GLN 17 Ca 0.52 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.60 1i5j h GLN 17 Cb 2.18 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.84 1i5j h GLN 17 CO -0.01 0.16 -1.88 0.28 -1.93 0.00 0.00 178.83 175.45 1i5j h VAL 18 N 0.00 0.72 0.72 2.39 2.07 0.38 -3.28 116.25 119.25 1i5j h VAL 18 Ca -0.00 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.01 1i5j h VAL 18 Cb 0.46 2.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1i5j h VAL 18 CO 0.02 0.77 -0.34 0.11 0.02 0.00 0.00 177.57 178.14 1i5j h LYS 19 N 0.05 -0.93 -0.02 1.57 1.79 -1.32 -0.19 116.57 117.52 1i5j h LYS 19 Ca -0.37 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1i5j h LYS 19 Cb 2.03 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 32.89 1i5j h LYS 19 CO 0.09 -0.62 0.19 0.93 -1.08 0.00 0.00 179.45 178.96 1i5j h GLU 20 N -1.14 0.00 0.07 3.15 4.39 -1.63 0.11 114.58 119.53 1i5j h GLU 20 Ca -0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1i5j h GLU 20 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1i5j h GLU 20 CO 0.16 0.00 -0.03 1.03 -1.16 0.00 0.00 179.01 179.01 1i5j h SER 21 N 0.00 -0.08 -0.26 1.42 0.87 -1.53 -2.61 113.55 111.37 1i5j h SER 21 Ca 0.01 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1i5j h SER 21 Cb 0.39 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1i5j h SER 21 CO -0.00 0.51 0.08 0.25 -0.53 0.00 0.00 176.83 177.14 1i5j h LEU 22 N -1.00 0.44 -0.83 2.23 5.85 -0.46 -2.02 115.31 119.52 1i5j h LEU 22 Ca -0.01 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1i5j h LEU 22 Cb 0.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1i5j h LEU 22 CO 0.02 0.45 -0.32 0.28 -0.34 0.00 0.00 178.44 178.53 1i5j h SER 23 N 0.48 0.52 -0.12 1.25 0.02 -0.92 -2.77 113.55 112.00 1i5j h SER 23 Ca 0.11 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1i5j h SER 23 Cb 0.19 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1i5j h SER 23 CO -0.00 0.81 -0.12 0.28 -1.14 0.00 0.00 176.83 176.66 1i5j h SER 24 N 0.43 0.44 -0.98 3.07 0.02 -0.96 0.53 113.55 116.10 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 0.77 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 63.10 1i5j h SER 24 CO 0.06 0.60 0.61 0.22 -1.14 0.00 0.00 176.83 177.17 1i5j h TYR 25 N 0.43 1.09 0.00 3.45 5.03 -1.21 0.50 116.97 126.25 1i5j h TYR 25 Ca 0.08 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 1i5j h TYR 25 Cb 0.47 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.40 1i5j h TYR 25 CO 0.01 0.39 -1.26 1.87 -1.32 0.00 0.00 178.16 177.85 1i5j n TRP 26 N -4.67 0.74 0.03 -3.82 -0.00 -0.91 -4.01 117.44 104.80 1i5j n TRP 26 Ca 0.19 0.22 -0.12 0.00 -0.00 0.00 0.00 57.50 57.79 1i5j n TRP 26 Cb 0.39 -0.86 0.00 0.00 -0.00 0.00 0.00 31.31 30.84 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 0.52 -0.59 5.87 4.81 0.19 -2.92 114.58 122.46 1i5j h GLU 27 Ca -0.01 -0.42 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 1i5j h GLU 27 Cb 1.03 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1i5j h GLU 27 CO 0.00 1.05 0.07 1.03 -0.73 0.00 0.00 179.01 180.43 1i5j h SER 28 N 0.35 0.93 -0.18 1.04 0.87 -0.25 0.60 113.55 116.92 1i5j h SER 28 Ca -0.04 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1i5j h SER 28 Cb 1.33 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1i5j h SER 28 CO 0.13 0.95 0.00 0.00 -0.53 0.00 0.00 176.83 177.38 1i5j h ALA 29 N 1.16 1.47 0.00 6.23 0.00 -1.68 0.85 119.26 127.29 1i5j h ALA 29 Ca 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1i5j h ALA 29 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1i5j h ALA 29 CO 0.01 0.38 -0.58 0.87 0.00 0.00 0.00 179.25 179.94 1i5j h LYS 30 N 0.42 0.00 -0.00 0.00 1.79 -1.17 -3.29 116.57 114.32 1i5j h LYS 30 Ca 0.09 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1i5j h LYS 30 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1i5j h LYS 30 CO 0.01 0.14 -0.14 1.15 -1.08 0.00 0.00 179.45 179.53 1i5j h THR 31 N 0.00 1.58 -0.07 -0.16 2.02 0.14 -1.97 112.91 114.45 1i5j h THR 31 Ca -0.02 -1.90 0.02 0.00 0.77 0.00 0.00 66.41 65.28 1i5j h THR 31 Cb 1.15 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1i5j h THR 31 CO 0.02 0.51 0.13 0.00 0.37 0.00 0.00 175.52 176.54 1i5j h ALA 32 N 0.24 1.46 0.00 6.16 0.00 -1.01 0.24 119.26 126.36 1i5j h ALA 32 Ca -0.02 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1i5j h ALA 32 Cb 0.91 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1i5j h ALA 32 CO 0.03 -0.16 -1.38 0.00 0.00 0.00 0.00 179.25 177.73 1i5j h ALA 33 N 1.82 0.67 0.13 0.00 0.00 -1.61 -3.35 119.26 116.91 1i5j h ALA 33 Ca 0.03 -1.03 -0.27 0.00 0.00 0.00 0.00 54.91 53.63 1i5j h ALA 33 Cb 0.28 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1i5j h ALA 33 CO -0.00 1.16 -1.23 0.37 0.00 0.00 0.00 179.25 179.56 1i5j h GLN 34 N 0.00 0.32 0.38 0.00 5.75 0.09 -3.06 115.11 118.60 1i5j h GLN 34 Ca -0.17 -0.51 -0.00 0.00 -0.15 0.00 0.00 58.65 57.81 1i5j h GLN 34 Cb 1.74 0.19 -0.03 0.00 1.07 0.00 0.00 27.48 30.44 1i5j h GLN 34 CO 0.07 1.23 -0.49 -0.97 -2.65 0.00 0.00 178.83 176.02 1i5j h ASN 35 N 0.10 -1.38 0.29 -0.69 -0.73 -0.81 0.95 115.58 113.31 1i5j h ASN 35 Ca -0.14 0.12 -0.04 0.00 1.87 0.00 0.00 56.30 58.11 1i5j h ASN 35 Cb 1.94 0.47 -0.01 0.00 0.27 0.00 0.00 38.32 41.00 1i5j h ASN 35 CO 0.21 -0.62 -0.18 0.25 -0.37 0.00 0.00 177.43 176.71 1i5j h LEU 36 N -0.91 0.00 -0.81 0.34 6.46 -1.71 1.43 115.31 120.11 1i5j h LEU 36 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1i5j h LEU 36 Cb 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1i5j h LEU 36 CO -0.13 0.18 -0.15 0.00 -0.62 0.00 0.00 178.44 177.73 1i5j n TYR 37 N -4.00 0.00 0.17 1.25 4.19 -0.81 -3.89 117.16 114.07 1i5j n TYR 37 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 1i5j n TYR 37 Cb 0.27 -0.06 0.00 0.00 0.49 0.00 0.00 39.34 40.04 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 -0.14 0.00 -0.17 2.98 -0.58 0.32 -4.73 120.64 118.32 1i5j n GLU 38 Ca 0.15 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.86 1i5j n GLU 38 Cb 0.37 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.31 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1i5j h LYS 39 N 0.00 0.39 0.07 3.49 1.79 0.15 -2.04 116.57 120.43 1i5j h LYS 39 Ca 0.00 -0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 58.20 1i5j h LYS 39 Cb 0.00 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1i5j h LYS 39 CO 0.00 0.26 -1.16 1.15 -1.08 0.00 0.00 179.45 178.62 1i5j h THR 40 N 0.40 1.57 -0.27 -0.16 2.02 0.57 -3.25 112.91 113.79 1i5j h THR 40 Ca 0.25 -3.21 0.08 0.00 0.77 0.00 0.00 66.41 64.30 1i5j h THR 40 Cb 0.25 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 1i5j h THR 40 CO -0.24 0.92 0.22 0.22 0.37 0.00 0.00 175.52 177.01 1i5j h TYR 41 N 0.04 0.00 -3.32 3.16 3.20 -1.55 -3.39 116.97 115.11 1i5j h TYR 41 Ca -0.09 0.00 -0.60 0.00 3.14 0.00 0.00 58.73 61.18 1i5j h TYR 41 Cb 1.89 0.00 -0.34 0.00 1.54 0.00 0.00 36.73 39.82 1i5j h TYR 41 CO 0.04 0.00 -0.85 -0.51 -1.64 0.00 0.00 178.16 175.20 1i5j s LEU 42 N -8.44 1.84 -0.98 2.82 1.02 -0.81 -5.03 118.68 109.10 1i5j s LEU 42 Ca -0.05 -0.45 -0.24 0.00 0.02 0.00 0.00 54.13 53.42 1i5j s LEU 42 Cb 0.17 -1.14 -0.06 0.00 0.02 0.00 0.00 46.19 45.18 1i5j s LEU 42 CO 0.65 0.07 1.96 -2.16 0.02 0.00 0.00 176.35 176.89 1i5j s PRO 43 N 0.70 2.48 -1.41 1.29 0.04 -1.26 -3.70 135.00 133.14 1i5j s PRO 43 Ca -0.12 -0.51 -0.10 0.00 0.04 0.00 0.00 61.00 60.31 1i5j s PRO 43 Cb -0.16 -5.10 0.04 0.00 0.04 0.00 0.00 34.50 29.31 1i5j s PRO 43 CO 0.03 -3.62 1.06 0.00 0.04 0.00 0.00 177.00 174.51 1i5j n ALA 44 N 14.35 -1.41 0.25 8.56 0.00 -1.26 -4.89 120.51 136.11 1i5j n ALA 44 Ca 0.42 0.25 0.11 0.00 0.00 0.00 0.00 53.44 54.22 1i5j n ALA 44 Cb 0.47 -4.64 -0.12 0.00 0.00 0.00 0.00 19.45 15.16 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 -4.77 0.09 -0.32 0.00 0.31 -1.24 -4.36 118.33 108.04 1i5j n VAL 45 Ca -0.02 -0.38 0.10 0.00 -0.01 0.00 0.00 64.34 64.02 1i5j n VAL 45 Cb 0.56 0.16 0.27 0.00 -0.91 0.00 0.00 33.84 33.93 1i5j n VAL 45 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1i5j h ASP 46 N 0.00 0.65 -0.23 4.52 3.58 -1.90 -0.89 116.42 122.15 1i5j h ASP 46 Ca 0.00 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1i5j h ASP 46 Cb 0.88 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1i5j h ASP 46 CO 0.00 0.25 0.08 1.05 -2.88 0.00 0.00 179.24 177.73 1i5j h GLU 47 N 0.69 0.35 -1.03 0.28 4.11 -1.91 0.25 114.58 117.32 1i5j h GLU 47 Ca 0.52 -0.07 0.28 0.00 0.07 0.00 0.00 59.36 60.16 1i5j h GLU 47 Cb 0.77 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1i5j h GLU 47 CO -0.38 0.42 0.71 -0.22 0.07 0.00 0.00 179.01 179.61 1i5j h LYS 48 N 0.20 0.16 0.01 1.06 3.64 -1.41 1.06 116.57 121.29 1i5j h LYS 48 Ca 0.07 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.17 1i5j h LYS 48 Cb 0.21 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1i5j h LYS 48 CO -0.00 0.10 -1.51 -0.07 -2.27 0.00 0.00 179.45 175.70 1i5j h LEU 49 N 0.16 0.03 -3.88 5.20 3.38 -0.98 -3.33 115.31 115.89 1i5j h LEU 49 Ca 0.52 -0.04 -0.40 0.00 0.09 0.00 0.00 57.88 58.04 1i5j h LEU 49 Cb 1.76 -0.01 -0.24 0.00 0.09 0.00 0.00 40.66 42.26 1i5j h LEU 49 CO -0.11 1.04 0.49 -1.14 0.09 0.00 0.00 178.44 178.81 1i5j n ARG 50 N -3.16 2.68 -0.09 1.13 0.00 0.22 -4.33 116.66 113.11 1i5j n ARG 50 Ca -0.12 -3.05 -0.18 0.00 -0.00 0.00 0.00 57.85 54.49 1i5j n ARG 50 Cb 1.02 -2.17 -0.13 0.00 0.00 0.00 0.00 32.46 31.18 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 -0.84 1.93 -0.30 6.15 9.92 0.30 -4.29 116.55 129.42 1i5j n ASP 51 Ca 0.52 -0.04 0.15 0.00 -0.53 0.00 0.00 54.79 54.90 1i5j n ASP 51 Cb 1.55 -0.47 0.41 0.00 -0.64 0.00 0.00 41.12 41.96 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 0.02 0.61 0.63 0.64 8.10 -1.80 0.18 115.31 123.70 1i5j h LEU 52 Ca -0.53 0.06 -0.03 0.00 0.11 0.00 0.00 57.88 57.49 1i5j h LEU 52 Cb 1.95 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 42.13 1i5j h LEU 52 CO -0.04 0.24 -0.32 0.22 -4.11 0.00 0.00 178.44 174.44 1i5j h TYR 53 N 0.61 -0.83 -0.19 0.17 3.20 -1.86 0.34 116.97 118.40 1i5j h TYR 53 Ca 0.52 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.37 1i5j h TYR 53 Cb 0.99 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1i5j h TYR 53 CO -0.00 -0.51 0.00 0.45 -1.64 0.00 0.00 178.16 176.46 1i5j n SER 54 N -5.47 2.16 -0.02 -2.11 2.88 -0.69 -1.37 113.62 109.00 1i5j n SER 54 Ca -0.13 -2.22 -0.02 0.00 -1.33 0.00 0.00 58.87 55.18 1i5j n SER 54 Cb 0.36 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 1i5j n SER 54 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1i5j n LYS 55 N 0.19 3.16 -0.04 -1.46 5.02 0.55 -3.94 118.16 121.65 1i5j n LYS 55 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.38 1i5j n LYS 55 Cb 0.46 -1.09 -0.11 0.00 -0.02 0.00 0.00 35.03 34.27 1i5j n LYS 55 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1i5j n SER 56 N -2.17 1.57 -0.06 4.39 7.64 0.07 -3.53 113.62 121.54 1i5j n SER 56 Ca -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.81 1i5j n SER 56 Cb 0.61 1.27 -0.16 0.00 -1.01 0.00 0.00 64.21 64.92 1i5j n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i5j n THR 57 N -2.26 0.81 -0.07 0.44 -1.04 -0.47 -4.18 114.28 107.50 1i5j n THR 57 Ca -0.12 -0.71 -0.18 0.00 -2.04 0.00 0.00 64.05 61.00 1i5j n THR 57 Cb 0.66 -0.27 -0.13 0.00 -1.82 0.00 0.00 70.33 68.77 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 -2.54 1.26 0.29 2.41 0.00 -1.23 -2.69 120.51 118.02 1i5j n ALA 58 Ca -0.21 -0.93 0.18 0.00 0.00 0.00 0.00 53.44 52.49 1i5j n ALA 58 Cb 0.91 -0.36 0.92 0.00 0.00 0.00 0.00 19.45 20.92 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j h ALA 59 N 0.20 1.00 0.00 0.00 0.00 -1.68 0.84 119.26 119.62 1i5j h ALA 59 Ca -0.50 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.09 1i5j h ALA 59 Cb 1.99 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.72 1i5j h ALA 59 CO -0.00 0.00 -2.21 0.00 0.00 0.00 0.00 179.25 177.04 1i5j n MET 60 N -2.81 0.93 0.09 0.00 0.00 -1.26 -4.04 117.12 110.03 1i5j n MET 60 Ca -0.02 0.05 -0.14 0.00 0.00 0.00 0.00 57.70 57.60 1i5j n MET 60 Cb 0.12 -1.44 -0.12 0.00 0.00 0.00 0.00 33.22 31.77 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 0.34 0.79 3.17 0.87 -1.24 -3.20 113.55 114.28 1i5j h SER 61 Ca -0.48 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 59.64 1i5j h SER 61 Cb 1.94 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.77 1i5j h SER 61 CO -0.02 1.26 -0.43 0.74 -0.53 0.00 0.00 176.83 177.85 1i5j h THR 62 N 0.07 1.02 -0.03 2.23 2.02 0.47 -2.92 112.91 115.76 1i5j h THR 62 Ca -0.10 -1.66 -0.13 0.00 0.77 0.00 0.00 66.41 65.29 1i5j h THR 62 Cb 1.89 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 70.26 1i5j h THR 62 CO 0.18 0.42 -0.59 0.22 0.37 0.00 0.00 175.52 176.12 1i5j h TYR 63 N 0.00 0.13 -0.23 3.16 3.20 -1.70 -2.74 116.97 118.79 1i5j h TYR 63 Ca -0.00 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.89 1i5j h TYR 63 Cb 0.94 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1i5j h TYR 63 CO 0.00 0.67 0.33 1.79 -1.64 0.00 0.00 178.16 179.31 1i5j h THR 64 N 0.07 0.30 0.00 1.81 1.35 -1.51 0.72 112.91 115.65 1i5j h THR 64 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1i5j h THR 64 Cb 1.07 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1i5j h THR 64 CO 0.08 0.00 -1.42 0.61 -0.25 0.00 0.00 175.52 174.54 1i5j n GLY 65 N -1.38 -1.27 0.04 5.82 0.00 -1.04 -3.98 105.19 103.38 1i5j n GLY 65 Ca 0.03 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.20 -0.03 -0.61 2.08 0.21 -4.08 119.36 114.52 1i5j n ILE 66 Ca -0.04 -0.17 -0.11 0.00 0.56 0.00 0.00 62.75 62.99 1i5j n ILE 66 Cb 0.64 0.05 -0.05 0.00 -0.75 0.00 0.00 39.64 39.52 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 0.21 0.00 1.39 3.57 -0.43 -2.34 116.94 119.33 1i5j h PHE 67 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1i5j h PHE 67 Cb 0.65 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.33 1i5j h PHE 67 CO 0.00 0.27 -0.06 1.15 -2.23 0.00 0.00 178.31 177.44 1i5j h THR 68 N 0.09 0.24 -0.56 4.41 2.02 -1.77 -2.74 112.91 114.59 1i5j h THR 68 Ca 0.05 -0.43 0.16 0.00 0.77 0.00 0.00 66.41 66.96 1i5j h THR 68 Cb 0.14 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1i5j h THR 68 CO -0.01 0.06 0.46 -0.78 0.37 0.00 0.00 175.52 175.62 1i5j h ASP 69 N 0.00 0.00 -0.58 4.18 3.58 -1.58 0.82 116.42 122.84 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 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 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 -4.09 2.50 -0.07 0.28 1.13 -1.03 -3.34 117.38 112.76 1i5j n GLN 70 Ca 0.11 -2.14 -0.10 0.00 -1.94 0.00 0.00 57.00 52.93 1i5j n GLN 70 Cb 0.68 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.49 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i5j n VAL 71 N 1.16 1.41 0.15 5.09 0.31 0.28 -4.23 118.33 122.49 1i5j n VAL 71 Ca 0.20 0.12 0.01 0.00 -0.01 0.00 0.00 64.34 64.65 1i5j n VAL 71 Cb 0.54 -2.13 0.19 0.00 -0.91 0.00 0.00 33.84 31.53 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 -0.79 0.00 -0.52 7.52 -0.00 -1.69 0.50 115.31 120.33 1i5j h LEU 72 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1i5j h LEU 72 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1i5j h LEU 72 CO -0.05 0.57 0.00 -0.24 -0.00 0.00 0.00 178.44 178.72 1i5j n SER 73 N -3.65 0.47 0.00 0.17 2.88 -1.21 -0.71 113.62 111.56 1i5j n SER 73 Ca -0.01 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 1i5j n SER 73 Cb 0.62 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 -2.02 0.00 -0.16 2.46 0.31 -0.95 -3.06 118.33 114.91 1i5j n VAL 74 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1i5j n VAL 74 Cb 0.20 0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 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 0.43 -0.00 7.52 -0.00 0.17 -4.75 117.00 118.95 1i5j n LEU 75 Ca 0.00 -0.58 0.04 0.00 -0.00 0.00 0.00 56.01 55.47 1i5j n LEU 75 Cb 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.48 1i5j n LEU 75 CO 0.00 0.11 -0.06 0.29 -0.00 0.00 0.00 177.39 177.73 1i5j n LYS 76 N -0.30 4.21 0.00 1.47 5.02 0.11 -4.96 118.16 123.71 1i5j n LYS 76 Ca 0.00 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1i5j n LYS 76 Cb 0.04 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 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 1.24 0.85 3.61 0.72 0.00 -0.83 -4.78 105.19 105.99 1i5j n GLY 77 Ca 0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.98 -0.83 1.61 0.28 -0.97 -4.93 120.64 113.82 1i5j n GLU 78 Ca 0.00 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 57.55 1i5j n GLU 78 Cb 0.00 -4.61 0.00 0.00 1.43 0.00 0.00 31.44 28.26 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06