#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c54 n VAL 2 N 0.00 1.15 1.05 2.12 0.31 -1.26 -4.79 118.33 116.91 1c54 n VAL 2 Ca 0.00 -0.29 0.05 0.00 -0.01 0.00 0.00 64.34 64.10 1c54 n VAL 2 Cb 0.00 0.00 0.31 0.00 -0.91 0.00 0.00 33.84 33.24 1c54 n VAL 2 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1c54 n SER 3 N 1.61 0.00 0.00 4.52 7.64 -1.10 -4.93 113.62 121.37 1c54 n SER 3 Ca 0.17 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1c54 n SER 3 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1c54 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1c54 n GLY 4 N 0.04 -1.39 3.83 0.23 0.00 -1.26 -5.06 105.19 101.58 1c54 n GLY 4 Ca 0.08 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 1c54 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c54 s THR 5 N -0.92 2.00 -0.19 2.61 2.01 -1.26 -2.46 115.64 117.42 1c54 s THR 5 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1c54 s THR 5 Cb 0.00 -2.85 0.07 0.00 0.01 0.00 0.00 72.50 69.73 1c54 s THR 5 CO 0.00 0.00 0.08 0.54 -0.69 0.00 0.00 174.62 174.55 1c54 s VAL 6 N -3.40 0.08 -0.25 3.82 0.11 0.27 -4.74 120.40 116.29 1c54 s VAL 6 Ca 0.63 -0.36 -0.42 0.00 -2.93 0.00 0.00 61.98 58.90 1c54 s VAL 6 Cb -0.13 -0.76 -0.18 0.00 -1.53 0.00 0.00 36.38 33.78 1c54 s VAL 6 CO 0.52 -0.33 1.50 0.00 -3.33 0.00 0.00 175.10 173.46 1c54 h LEU 8 N 5.18 0.54 -1.57 0.00 6.46 -1.33 0.11 115.31 124.71 1c54 h LEU 8 Ca -0.47 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1c54 h LEU 8 Cb 1.36 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1c54 h LEU 8 CO 0.88 0.17 -0.23 -1.28 -0.62 0.00 0.00 178.44 177.36 1c54 h SER 9 N 0.52 0.00 1.50 1.25 0.87 -1.82 -0.99 113.55 114.88 1c54 h SER 9 Ca 0.55 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1c54 h SER 9 Cb 1.19 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1c54 h SER 9 CO -0.28 0.23 -0.04 0.00 -0.53 0.00 0.00 176.83 176.21 1c54 h ALA 10 N 1.77 0.99 -2.31 6.23 0.00 -1.10 -3.45 119.26 121.38 1c54 h ALA 10 Ca -0.00 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.37 1c54 h ALA 10 Cb 0.46 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.28 1c54 h ALA 10 CO 0.03 0.05 0.17 -0.51 0.00 0.00 0.00 179.25 178.99 1c54 s LEU 11 N -6.25 3.57 1.00 0.00 1.43 -0.38 -5.00 118.68 113.05 1c54 s LEU 11 Ca 0.04 1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 54.06 1c54 s LEU 11 Cb 0.07 -4.01 0.19 0.00 0.03 0.00 0.00 46.19 42.47 1c54 s LEU 11 CO 0.62 -0.62 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 1c54 s PRO 12 N -4.76 0.42 0.23 1.29 0.04 -1.26 -4.92 135.00 126.04 1c54 s PRO 12 Ca 0.49 0.55 0.21 0.00 0.04 0.00 0.00 61.00 62.29 1c54 s PRO 12 Cb -0.10 -1.73 0.93 0.00 0.04 0.00 0.00 34.50 33.63 1c54 s PRO 12 CO 0.46 -2.74 1.65 -0.35 0.04 0.00 0.00 177.00 176.06 1c54 n PRO 13 N -4.19 0.16 0.00 0.56 -0.04 -1.26 -1.77 135.00 128.46 1c54 n PRO 13 Ca 0.05 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 1c54 n PRO 13 Cb 0.57 -1.82 0.25 0.00 -0.04 0.00 0.00 33.50 32.46 1c54 n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c54 n GLU 14 N -2.12 0.96 -0.06 0.54 0.00 -1.26 -4.00 120.64 114.70 1c54 n GLU 14 Ca 0.02 -0.66 -0.13 0.00 0.00 0.00 0.00 57.16 56.39 1c54 n GLU 14 Cb 0.19 -1.49 -0.12 0.00 0.00 0.00 0.00 31.44 30.03 1c54 n GLU 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1c54 h ALA 15 N 3.75 -0.01 -0.33 -1.84 0.00 -1.59 -3.24 119.26 116.01 1c54 h ALA 15 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.57 1c54 h ALA 15 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1c54 h ALA 15 CO 0.00 -0.04 0.28 0.00 0.00 0.00 0.00 179.25 179.49 1c54 h THR 16 N -0.94 0.66 0.26 0.00 1.03 -1.71 -2.34 112.91 109.87 1c54 h THR 16 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.40 1c54 h THR 16 Cb 0.87 0.80 -0.04 0.00 -1.07 0.00 0.00 68.15 68.71 1c54 h THR 16 CO 0.00 0.00 -0.46 -0.78 -0.01 0.00 0.00 175.52 174.27 1c54 h ASP 17 N 0.00 -1.33 -0.29 0.00 1.82 -1.69 0.16 116.42 115.09 1c54 h ASP 17 Ca 0.16 0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.99 1c54 h ASP 17 Cb 0.71 0.47 -0.06 0.00 0.68 0.00 0.00 39.33 41.13 1c54 h ASP 17 CO -0.00 -0.56 -0.10 0.74 -1.61 0.00 0.00 179.24 177.71 1c54 h THR 18 N -0.79 0.65 -0.84 2.25 2.02 -1.53 -0.89 112.91 113.77 1c54 h THR 18 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 1c54 h THR 18 Cb 0.76 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 1c54 h THR 18 CO -0.18 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.19 1c54 h LEU 19 N -0.04 0.74 -1.27 2.58 3.38 -1.46 0.19 115.31 119.43 1c54 h LEU 19 Ca 0.15 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1c54 h LEU 19 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1c54 h LEU 19 CO -0.32 0.44 -0.10 -1.13 0.09 0.00 0.00 178.44 177.41 1c54 h ASN 20 N 0.82 0.36 0.78 -0.43 -0.73 0.63 0.24 115.58 117.25 1c54 h ASN 20 Ca 0.39 -0.08 -0.18 0.00 1.87 0.00 0.00 56.30 58.31 1c54 h ASN 20 Cb 0.42 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 1c54 h ASN 20 CO -0.16 0.50 -0.83 -0.07 -0.37 0.00 0.00 177.43 176.50 1c54 h LEU 21 N 0.35 0.04 -0.31 0.34 3.38 0.30 0.69 115.31 120.10 1c54 h LEU 21 Ca 0.07 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1c54 h LEU 21 Cb 0.40 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1c54 h LEU 21 CO 0.02 0.85 -0.45 0.40 0.09 0.00 0.00 178.44 179.35 1c54 h ILE 22 N 0.02 1.28 -0.14 1.22 5.03 0.23 0.30 117.51 125.45 1c54 h ILE 22 Ca -0.01 -1.63 -0.20 0.00 -0.12 0.00 0.00 64.86 62.89 1c54 h ILE 22 Cb 1.46 1.56 0.01 0.00 -3.03 0.00 0.00 36.82 36.82 1c54 h ILE 22 CO 0.11 0.53 -0.70 0.00 -0.68 0.00 0.00 178.15 177.41 1c54 h ALA 23 N 0.70 0.28 -0.42 1.87 0.00 -0.45 -3.19 119.26 118.06 1c54 h ALA 23 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1c54 h ALA 23 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1c54 h ALA 23 CO 0.10 0.60 0.00 0.45 0.00 0.00 0.00 179.25 180.41 1c54 n SER 24 N -4.02 2.68 -3.41 0.00 2.88 0.24 -4.92 113.62 107.06 1c54 n SER 24 Ca -0.08 -1.93 -0.21 0.00 -1.33 0.00 0.00 58.87 55.32 1c54 n SER 24 Cb 0.71 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 1c54 n SER 24 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1c54 n ASP 25 N 0.97 -2.12 0.00 -3.46 2.03 0.10 -4.52 116.55 109.56 1c54 n ASP 25 Ca 0.18 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1c54 n ASP 25 Cb 0.45 -1.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 1c54 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1c54 n GLY 26 N -0.88 -1.33 3.76 0.27 0.00 0.84 -4.85 105.19 103.00 1c54 n GLY 26 Ca 0.03 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 1c54 n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c54 s PRO 27 N 0.00 4.58 -0.02 1.61 0.04 -1.26 -4.82 135.00 135.13 1c54 s PRO 27 Ca 0.00 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1c54 s PRO 27 Cb 0.00 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1c54 s PRO 27 CO 0.00 0.17 0.48 -0.06 0.04 0.00 0.00 177.00 177.63 1c54 s PHE 28 N -1.22 3.67 -0.04 0.56 0.40 -1.26 -4.90 117.98 115.18 1c54 s PHE 28 Ca 0.46 1.03 -0.10 0.00 -0.60 0.00 0.00 56.93 57.73 1c54 s PHE 28 Cb -0.31 -2.44 -0.05 0.00 0.51 0.00 0.00 43.02 40.73 1c54 s PHE 28 CO 0.39 0.45 0.47 -1.00 0.70 0.00 0.00 175.22 176.23 1c54 h PRO 29 N 5.41 -0.33 -7.00 0.24 0.13 -1.99 -3.45 132.00 125.00 1c54 h PRO 29 Ca -0.47 0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 1c54 h PRO 29 Cb 1.20 0.08 0.07 0.00 0.13 0.00 0.00 31.00 32.48 1c54 h PRO 29 CO 0.67 -0.22 0.49 0.71 -0.23 0.00 0.00 178.00 179.42 1c54 s TYR 30 N -2.69 2.85 -0.19 1.56 1.51 -1.26 -4.91 117.35 114.21 1c54 s TYR 30 Ca -0.05 1.53 0.24 0.00 -1.01 0.00 0.00 57.07 57.78 1c54 s TYR 30 Cb 0.01 -3.40 1.23 0.00 -0.11 0.00 0.00 41.96 39.68 1c54 s TYR 30 CO 0.15 -1.57 1.73 0.77 -1.11 0.00 0.00 175.55 175.53 1c54 h SER 31 N 2.03 0.00 -0.64 2.29 0.02 -1.99 -3.36 113.55 111.89 1c54 h SER 31 Ca -0.49 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.81 1c54 h SER 31 Cb 1.25 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1c54 h SER 31 CO 0.60 0.00 2.26 0.00 -1.14 0.00 0.00 176.83 178.55 1c54 n GLN 32 N -2.33 2.92 -3.65 3.45 6.02 -1.26 -4.79 117.38 117.74 1c54 n GLN 32 Ca -0.01 -3.03 -0.03 0.00 -0.01 0.00 0.00 57.00 53.92 1c54 n GLN 32 Cb 0.09 -3.47 -0.06 0.00 1.02 0.00 0.00 30.24 27.81 1c54 n GLN 32 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1c54 s ASP 33 N 4.31 -0.07 0.00 1.08 -4.77 -1.24 -3.23 116.67 112.75 1c54 s ASP 33 Ca 0.54 0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.92 1c54 s ASP 33 Cb 0.06 0.12 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 1c54 s ASP 33 CO 0.06 -0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.51 1c54 n GLY 34 N 1.38 0.75 3.35 2.12 0.00 -1.26 -5.08 105.19 106.45 1c54 n GLY 34 Ca -0.08 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1c54 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c54 s VAL 35 N -2.00 2.14 0.45 1.61 -7.23 -1.26 -5.06 120.40 109.04 1c54 s VAL 35 Ca 0.00 -1.53 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 1c54 s VAL 35 Cb 0.00 -1.86 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 1c54 s VAL 35 CO 0.00 0.23 0.86 -0.69 -0.31 0.00 0.00 175.10 175.19 1c54 s VAL 36 N -0.92 4.67 -0.41 1.32 1.01 -1.26 -1.54 120.40 123.28 1c54 s VAL 36 Ca 0.12 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1c54 s VAL 36 Cb -0.10 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.70 1c54 s VAL 36 CO 0.04 -0.57 0.25 0.12 0.00 0.00 0.00 175.10 174.93 1c54 s PHE 37 N -2.46 1.37 -0.22 5.22 5.36 -0.64 -4.72 117.98 121.91 1c54 s PHE 37 Ca 0.55 -2.09 -0.04 0.00 -0.96 0.00 0.00 56.93 54.39 1c54 s PHE 37 Cb -0.10 -1.37 -0.12 0.00 -0.34 0.00 0.00 43.02 41.08 1c54 s PHE 37 CO 0.30 -0.80 2.17 0.94 -1.46 0.00 0.00 175.22 176.38 1c54 n GLN 38 N 3.64 1.32 -3.53 10.12 0.00 -1.26 -4.52 117.38 123.14 1c54 n GLN 38 Ca 0.13 -0.76 -0.16 0.00 -0.00 0.00 0.00 57.00 56.21 1c54 n GLN 38 Cb 0.37 -1.93 -0.02 0.00 0.00 0.00 0.00 30.24 28.66 1c54 n GLN 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1c54 n ASN 39 N 3.09 -0.50 0.18 1.69 5.15 -1.26 -4.71 115.26 118.89 1c54 n ASN 39 Ca 0.28 -0.55 0.17 0.00 -0.60 0.00 0.00 54.58 53.89 1c54 n ASN 39 Cb 0.41 -0.67 0.80 0.00 -0.53 0.00 0.00 39.78 39.79 1c54 n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1c54 h ARG 40 N 0.19 0.00 0.00 1.20 -0.00 -1.96 0.36 114.38 114.17 1c54 h ARG 40 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.19 1c54 h ARG 40 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.56 1c54 h ARG 40 CO 0.27 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.63 1c54 n GLU 41 N -3.89 0.09 -4.27 0.04 1.02 -1.26 -4.93 120.64 107.45 1c54 n GLU 41 Ca 0.03 0.16 -0.37 0.00 -0.02 0.00 0.00 57.16 56.96 1c54 n GLU 41 Cb 0.37 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1c54 n GLU 41 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1c54 n SER 42 N -1.79 -2.81 -0.00 1.62 2.88 0.13 -4.81 113.62 108.83 1c54 n SER 42 Ca 0.05 -1.06 0.06 0.00 -1.33 0.00 0.00 58.87 56.59 1c54 n SER 42 Cb 0.31 -2.55 -0.09 0.00 -0.75 0.00 0.00 64.21 61.13 1c54 n SER 42 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1c54 n VAL 43 N -4.34 0.00 -3.29 2.46 0.31 -1.26 -5.01 118.33 107.20 1c54 n VAL 43 Ca 0.05 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.80 1c54 n VAL 43 Cb 0.50 0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 33.71 1c54 n VAL 43 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1c54 s LEU 44 N -3.63 4.13 -0.29 7.52 1.43 -1.26 -4.41 118.68 122.16 1c54 s LEU 44 Ca -0.03 1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 54.11 1c54 s LEU 44 Cb 0.08 -3.85 -0.18 0.00 0.03 0.00 0.00 46.19 42.27 1c54 s LEU 44 CO 0.48 -0.13 2.84 -0.81 0.23 0.00 0.00 176.35 178.96 1c54 n PRO 45 N -0.20 1.86 0.00 1.29 -0.04 -1.26 -4.63 135.00 132.02 1c54 n PRO 45 Ca 0.02 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1c54 n PRO 45 Cb 0.53 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1c54 n PRO 45 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1c54 n THR 46 N 2.91 0.00 0.00 0.52 -1.04 -1.26 -5.09 114.28 110.32 1c54 n THR 46 Ca 0.40 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.41 1c54 n THR 46 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1c54 n THR 46 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1c54 n GLN 47 N 0.00 0.00 -1.18 -2.82 7.27 -1.26 -4.97 117.38 114.41 1c54 n GLN 47 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1c54 n GLN 47 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 1c54 n GLN 47 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1c54 n SER 48 N 0.00 -3.24 -4.68 1.69 3.41 -1.26 -4.67 113.62 104.87 1c54 n SER 48 Ca 0.00 0.65 -0.35 0.00 -0.26 0.00 0.00 58.87 58.91 1c54 n SER 48 Cb 0.00 -0.80 -0.09 0.00 -0.26 0.00 0.00 64.21 63.06 1c54 n SER 48 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1c54 s TYR 49 N -1.80 3.30 0.00 7.33 6.14 -1.26 -4.37 117.35 126.69 1c54 s TYR 49 Ca 0.54 0.17 0.00 0.00 0.64 0.00 0.00 57.07 58.42 1c54 s TYR 49 Cb -0.50 -2.03 0.00 0.00 0.42 0.00 0.00 41.96 39.85 1c54 s TYR 49 CO 0.61 0.28 0.00 0.41 0.64 0.00 0.00 175.55 177.49 1c54 n GLY 50 N 3.17 3.01 0.00 8.97 0.00 -1.26 -4.81 105.19 114.27 1c54 n GLY 50 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1c54 n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1c54 n TYR 51 N -2.00 0.00 -4.30 1.61 9.36 -1.26 -4.77 117.16 115.81 1c54 n TYR 51 Ca 0.00 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.06 1c54 n TYR 51 Cb 0.00 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.61 1c54 n TYR 51 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1c54 s TYR 52 N -2.00 1.44 0.09 2.98 1.51 -1.26 -0.38 117.35 119.73 1c54 s TYR 52 Ca 0.30 -0.83 -0.25 0.00 -1.01 0.00 0.00 57.07 55.28 1c54 s TYR 52 Cb 0.14 -0.79 0.07 0.00 -0.11 0.00 0.00 41.96 41.27 1c54 s TYR 52 CO 0.23 0.04 0.60 -1.01 -1.11 0.00 0.00 175.55 174.30 1c54 s HIS 53 N -3.35 -0.54 -0.07 2.71 3.76 -0.46 -1.62 115.29 115.73 1c54 s HIS 53 Ca 0.23 0.53 0.03 0.00 -0.15 0.00 0.00 55.06 55.70 1c54 s HIS 53 Cb 0.04 0.48 -0.02 0.00 1.11 0.00 0.00 32.58 34.19 1c54 s HIS 53 CO 0.05 -0.75 -0.16 -1.21 -0.85 0.00 0.00 174.74 171.82 1c54 s GLU 54 N -2.94 2.68 -0.44 1.40 2.02 -0.59 -1.62 118.70 119.22 1c54 s GLU 54 Ca -0.03 -0.72 0.07 0.00 0.02 0.00 0.00 54.97 54.31 1c54 s GLU 54 Cb -0.01 -2.40 0.28 0.00 0.10 0.00 0.00 34.13 32.11 1c54 s GLU 54 CO -0.06 0.51 0.84 0.66 0.02 0.00 0.00 175.26 177.23 1c54 n TYR 55 N 2.64 -2.03 -1.39 1.61 4.01 0.51 -3.65 117.16 118.87 1c54 n TYR 55 Ca -0.17 -2.57 -0.52 0.00 -0.16 0.00 0.00 57.90 54.48 1c54 n TYR 55 Cb 0.52 0.86 -0.05 0.00 -0.31 0.00 0.00 39.34 40.35 1c54 n TYR 55 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1c54 n THR 56 N 1.05 0.89 -2.89 -0.72 -1.04 -1.20 -3.39 114.28 106.98 1c54 n THR 56 Ca 0.13 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 1c54 n THR 56 Cb 0.63 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.09 1c54 n THR 56 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1c54 s VAL 57 N -0.45 4.54 0.88 12.58 1.01 -1.26 -4.78 120.40 132.92 1c54 s VAL 57 Ca 0.75 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 1c54 s VAL 57 Cb -1.07 -4.41 -0.11 0.00 0.00 0.00 0.00 36.38 30.80 1c54 s VAL 57 CO 0.54 -0.85 -0.36 -0.38 0.00 0.00 0.00 175.10 174.06 1c54 n ILE 58 N 6.24 0.18 -3.66 2.22 5.41 -1.26 -4.73 119.36 123.77 1c54 n ILE 58 Ca 0.03 -0.44 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 1c54 n ILE 58 Cb 0.48 -0.18 -0.08 0.00 -0.71 0.00 0.00 39.64 39.15 1c54 n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1c54 s THR 59 N -2.06 0.00 0.42 1.39 2.01 -1.26 -4.55 115.64 111.59 1c54 s THR 59 Ca 0.48 -0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 1c54 s THR 59 Cb -0.26 -0.84 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 1c54 s THR 59 CO 0.75 -0.01 1.13 -2.16 -0.69 0.00 0.00 174.62 173.63 1c54 s PRO 60 N 0.04 3.98 -1.56 4.92 0.04 -1.26 -3.32 135.00 137.85 1c54 s PRO 60 Ca -0.02 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1c54 s PRO 60 Cb -0.04 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1c54 s PRO 60 CO 0.02 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1c54 n GLY 61 N 0.47 -0.22 3.44 0.56 0.00 -1.26 -4.89 105.19 103.29 1c54 n GLY 61 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 1c54 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c54 s ALA 62 N -2.83 3.41 0.50 4.61 0.00 -1.21 -4.86 121.76 121.38 1c54 s ALA 62 Ca 0.00 -2.81 0.42 0.00 0.00 0.00 0.00 51.96 49.57 1c54 s ALA 62 Cb 0.00 -4.02 1.61 0.00 0.00 0.00 0.00 23.12 20.71 1c54 s ALA 62 CO 0.00 -2.94 1.55 0.54 0.00 0.00 0.00 175.76 174.91 1c54 n ARG 63 N 6.39 -0.02 -0.13 0.00 3.00 -1.26 -4.63 116.66 120.01 1c54 n ARG 63 Ca 0.23 1.15 0.00 0.00 -0.01 0.00 0.00 57.85 59.23 1c54 n ARG 63 Cb 0.49 -2.47 0.00 0.00 0.00 0.00 0.00 32.46 30.48 1c54 n ARG 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1c54 n THR 64 N -4.28 0.00 0.17 0.55 -2.24 -1.26 -5.01 114.28 102.21 1c54 n THR 64 Ca 0.42 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.31 1c54 n THR 64 Cb 1.80 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 70.61 1c54 n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1c54 n ARG 65 N 0.00 0.14 -1.04 -0.78 1.74 -1.26 -4.94 116.66 110.51 1c54 n ARG 65 Ca 0.00 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1c54 n ARG 65 Cb 0.00 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1c54 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c54 n GLY 66 N -1.27 -4.08 0.51 -0.13 0.00 -1.26 -4.59 105.19 94.37 1c54 n GLY 66 Ca -0.01 -0.85 0.31 0.00 0.00 0.00 0.00 46.02 45.47 1c54 n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1c54 h THR 67 N 1.11 0.28 -2.08 2.61 1.35 -1.92 -3.42 112.91 110.84 1c54 h THR 67 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.22 1c54 h THR 67 Cb 0.00 0.35 0.07 0.00 -1.73 0.00 0.00 68.15 66.85 1c54 h THR 67 CO 0.00 0.00 0.42 0.54 -0.25 0.00 0.00 175.52 176.23 1c54 n ARG 68 N -3.84 1.42 -3.64 4.72 1.74 -1.26 -0.59 116.66 115.20 1c54 n ARG 68 Ca 0.22 0.51 -0.09 0.00 -0.77 0.00 0.00 57.85 57.71 1c54 n ARG 68 Cb 1.21 -2.09 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 1c54 n ARG 68 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1c54 s ARG 69 N -0.13 0.73 -0.10 5.56 3.00 -1.26 -4.15 118.95 122.60 1c54 s ARG 69 Ca 0.75 1.12 -0.04 0.00 -1.00 0.00 0.00 55.73 56.56 1c54 s ARG 69 Cb -0.81 0.22 -0.04 0.00 0.00 0.00 0.00 34.95 34.32 1c54 s ARG 69 CO 0.50 -0.13 0.05 0.42 0.00 0.00 0.00 175.30 176.14 1c54 s ILE 70 N 1.21 4.76 -0.20 4.11 1.01 -1.22 -1.74 121.20 129.12 1c54 s ILE 70 Ca -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 1c54 s ILE 70 Cb -0.05 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.44 1c54 s ILE 70 CO -0.13 0.60 -0.03 -0.63 0.00 0.00 0.00 174.94 174.76 1c54 s ILE 71 N -0.95 1.12 0.32 2.92 -1.09 -1.02 -0.36 121.20 122.14 1c54 s ILE 71 Ca 0.14 -0.87 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 1c54 s ILE 71 Cb -0.12 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 1c54 s ILE 71 CO 0.03 -0.07 0.47 0.42 -1.23 0.00 0.00 174.94 174.56 1c54 s THR 72 N 1.60 4.47 0.57 2.92 -4.23 -0.64 0.75 115.64 121.08 1c54 s THR 72 Ca -0.03 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 1c54 s THR 72 Cb -0.17 -3.58 0.06 0.00 1.34 0.00 0.00 72.50 70.15 1c54 s THR 72 CO -0.07 -0.26 0.50 -0.83 -0.54 0.00 0.00 174.62 173.42 1c54 s GLY 73 N -4.11 2.27 0.10 3.99 0.00 -0.74 -1.36 107.32 107.47 1c54 s GLY 73 Ca 0.42 -1.34 0.25 0.00 0.00 0.00 0.00 44.72 44.05 1c54 s GLY 73 CO 0.32 -1.92 1.76 -2.21 0.00 0.00 0.00 173.10 171.05 1c54 n GLU 74 N -1.91 0.11 -5.02 2.90 4.07 0.48 -4.56 120.64 116.71 1c54 n GLU 74 Ca 0.01 0.18 -0.32 0.00 -0.06 0.00 0.00 57.16 56.97 1c54 n GLU 74 Cb 0.64 -1.65 -0.16 0.00 -0.06 0.00 0.00 31.44 30.21 1c54 n GLU 74 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1c54 s ALA 75 N -3.08 2.36 0.65 4.31 0.00 -1.26 -5.11 121.76 119.62 1c54 s ALA 75 Ca 0.10 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1c54 s ALA 75 Cb 0.14 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1c54 s ALA 75 CO 0.48 0.26 0.83 2.41 0.00 0.00 0.00 175.76 179.74 1c54 n THR 76 N 3.54 3.04 -1.72 0.00 -1.04 -1.26 -3.67 114.28 113.17 1c54 n THR 76 Ca -0.19 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1c54 n THR 76 Cb 0.53 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1c54 n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1c54 n GLN 77 N -1.04 0.00 -2.78 -2.82 6.02 -1.26 -5.00 117.38 110.51 1c54 n GLN 77 Ca 0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.02 1c54 n GLN 77 Cb 0.48 -2.64 0.04 0.00 1.02 0.00 0.00 30.24 29.14 1c54 n GLN 77 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1c54 n GLU 78 N -0.86 1.11 -3.56 -1.09 1.02 -1.24 -4.85 120.64 111.17 1c54 n GLU 78 Ca 0.00 -2.84 -0.41 0.00 -0.02 0.00 0.00 57.16 53.90 1c54 n GLU 78 Cb 0.41 -1.04 -0.07 0.00 -0.02 0.00 0.00 31.44 30.72 1c54 n GLU 78 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1c54 s ASP 79 N -2.39 5.84 1.38 1.62 1.47 -1.25 -1.80 116.67 121.55 1c54 s ASP 79 Ca 0.28 -2.73 -0.21 0.00 1.18 0.00 0.00 52.55 51.07 1c54 s ASP 79 Cb 0.41 -2.00 0.35 0.00 -0.34 0.00 0.00 42.92 41.34 1c54 s ASP 79 CO -0.02 -0.47 0.90 -1.22 0.68 0.00 0.00 175.17 175.04 1c54 n TYR 80 N 3.76 -2.98 -3.06 2.11 4.01 0.23 -0.70 117.16 120.53 1c54 n TYR 80 Ca 0.09 -0.59 0.01 0.00 -0.16 0.00 0.00 57.90 57.25 1c54 n TYR 80 Cb 0.41 -1.45 -0.00 0.00 -0.31 0.00 0.00 39.34 37.99 1c54 n TYR 80 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1c54 s TYR 81 N -2.20 -1.32 0.00 -0.72 6.14 -0.74 -2.44 117.35 116.07 1c54 s TYR 81 Ca 0.67 0.17 0.00 0.00 0.64 0.00 0.00 57.07 58.55 1c54 s TYR 81 Cb -0.17 0.24 0.00 0.00 0.42 0.00 0.00 41.96 42.46 1c54 s TYR 81 CO 0.59 -0.90 0.79 -2.37 0.64 0.00 0.00 175.55 174.30 1c54 n THR 82 N 4.14 0.00 -0.06 4.34 5.66 -0.71 -3.17 114.28 124.48 1c54 n THR 82 Ca 0.10 1.29 0.00 0.00 -3.05 0.00 0.00 64.05 62.38 1c54 n THR 82 Cb 0.59 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.38 1c54 n THR 82 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1c54 n GLY 83 N -0.91 2.81 0.08 1.09 0.00 -1.26 -4.49 105.19 102.51 1c54 n GLY 83 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1c54 n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c54 n ASP 84 N 0.00 1.93 -2.33 1.61 -0.08 -1.25 -4.08 116.55 112.34 1c54 n ASP 84 Ca 0.00 -2.56 -0.01 0.00 -1.51 0.00 0.00 54.79 50.70 1c54 n ASP 84 Cb 0.00 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1c54 n HIS 85 N -0.96 -2.59 -2.29 -0.67 -0.00 0.24 -4.14 115.22 104.80 1c54 n HIS 85 Ca 0.09 1.12 -0.09 0.00 -0.00 0.00 0.00 57.72 58.84 1c54 n HIS 85 Cb 0.52 -3.20 -0.01 0.00 -0.00 0.00 0.00 29.99 27.30 1c54 n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1c54 n TYR 86 N 0.25 -1.42 -0.03 1.57 4.02 -1.26 -4.75 117.16 115.54 1c54 n TYR 86 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1c54 n TYR 86 Cb 0.08 -2.31 -0.10 0.00 -0.02 0.00 0.00 39.34 36.99 1c54 n TYR 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1c54 n ALA 87 N -1.97 2.15 -2.53 -0.72 0.00 -1.26 -5.04 120.51 111.14 1c54 n ALA 87 Ca -0.11 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1c54 n ALA 87 Cb 0.55 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1c54 n ALA 87 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1c54 s THR 88 N -2.63 0.00 -0.30 0.00 -4.23 -1.26 -5.03 115.64 102.19 1c54 s THR 88 Ca -0.05 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 58.53 1c54 s THR 88 Cb 0.06 -2.45 0.14 0.00 1.34 0.00 0.00 72.50 71.58 1c54 s THR 88 CO 0.51 0.00 0.76 -0.36 -0.54 0.00 0.00 174.62 175.00 1c54 s PHE 89 N -3.86 -1.11 -0.20 3.99 0.08 -1.26 -3.54 117.98 112.08 1c54 s PHE 89 Ca 0.34 1.94 -0.05 0.00 0.12 0.00 0.00 56.93 59.29 1c54 s PHE 89 Cb 0.04 0.66 0.07 0.00 -0.57 0.00 0.00 43.02 43.22 1c54 s PHE 89 CO 0.15 -0.55 0.10 -1.12 -0.10 0.00 0.00 175.22 173.69 1c54 s SER 90 N 2.63 2.64 1.01 1.36 0.01 -1.19 -2.70 113.70 117.45 1c54 s SER 90 Ca -0.05 -0.77 -0.20 0.00 1.31 0.00 0.00 55.95 56.24 1c54 s SER 90 Cb -0.09 -0.29 -0.09 0.00 0.21 0.00 0.00 66.02 65.75 1c54 s SER 90 CO -0.18 -0.37 -0.68 0.18 0.41 0.00 0.00 173.24 172.60 1c54 n LEU 91 N 5.26 -3.60 -4.52 2.44 4.77 -1.03 -1.80 117.00 118.53 1c54 n LEU 91 Ca -0.07 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.69 1c54 n LEU 91 Cb 0.47 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.65 1c54 n LEU 91 CO 0.09 -4.19 -0.39 -0.63 -1.33 0.00 0.00 177.39 170.94 1c54 s ILE 92 N -2.11 3.62 -0.43 -0.08 1.09 0.12 0.94 121.20 124.36 1c54 s ILE 92 Ca 0.44 -0.49 -0.05 0.00 -1.10 0.00 0.00 60.65 59.46 1c54 s ILE 92 Cb -0.10 -2.51 0.11 0.00 -1.06 0.00 0.00 42.46 38.90 1c54 s ILE 92 CO 0.73 0.56 0.24 -0.62 -0.10 0.00 0.00 174.94 175.75 1c54 s ASP 93 N -0.29 5.39 0.25 3.58 -1.08 -0.10 -4.74 116.67 119.68 1c54 s ASP 93 Ca 0.04 -1.99 -0.05 0.00 -0.52 0.00 0.00 52.55 50.03 1c54 s ASP 93 Cb -0.13 -1.88 0.28 0.00 -1.46 0.00 0.00 42.92 39.73 1c54 s ASP 93 CO 0.02 -0.59 1.84 1.56 0.52 0.00 0.00 175.17 178.53 1c54 h GLN 94 N 8.17 1.11 -0.59 4.34 7.50 -1.96 -0.73 115.11 132.95 1c54 h GLN 94 Ca -0.15 -0.16 0.08 0.00 0.50 0.00 0.00 58.65 58.91 1c54 h GLN 94 Cb 1.06 -0.20 -0.06 0.00 0.05 0.00 0.00 27.48 28.32 1c54 h GLN 94 CO 0.75 0.86 0.25 0.00 -1.50 0.00 0.00 178.83 179.19 1c54 h THR 95 N 1.10 0.84 -0.01 -0.54 1.03 -1.98 -3.43 112.91 109.91 1c54 h THR 95 Ca 0.26 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.51 1c54 h THR 95 Cb 0.13 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.54 1c54 h THR 95 CO -0.03 0.08 0.00 0.00 -0.01 0.00 0.00 175.52 175.56