#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 0.39 0.10 2.12 0.31 -1.19 -4.77 118.33 115.30 1c54 n VAL 2 Ca 0.00 -0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.29 1c54 n VAL 2 Cb 0.00 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.99 0.29 0.00 4.52 7.64 -0.92 -4.88 113.62 121.26 1c54 n SER 3 Ca 0.11 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1c54 n SER 3 Cb 0.08 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.33 0.52 3.92 0.23 0.00 -1.26 -5.06 105.19 102.21 1c54 n GLY 4 Ca -0.01 -2.16 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.78 2.54 -0.21 2.61 2.01 -1.26 -0.75 115.64 119.81 1c54 s THR 5 Ca 0.00 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.83 1c54 s THR 5 Cb 0.00 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 69.50 1c54 s THR 5 CO 0.00 -0.12 0.26 0.54 -0.69 0.00 0.00 174.62 174.61 1c54 s VAL 6 N -3.26 -0.39 0.06 3.82 0.11 0.22 -4.73 120.40 116.23 1c54 s VAL 6 Ca 0.59 -0.08 -0.38 0.00 -2.93 0.00 0.00 61.98 59.19 1c54 s VAL 6 Cb -0.11 -0.69 -0.18 0.00 -1.53 0.00 0.00 36.38 33.87 1c54 s VAL 6 CO 0.46 -0.16 1.13 0.00 -3.33 0.00 0.00 175.10 173.19 1c54 h LEU 8 N 3.39 0.55 -1.32 0.00 6.46 -1.30 0.12 115.31 123.21 1c54 h LEU 8 Ca -0.48 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1c54 h LEU 8 Cb 1.39 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1c54 h LEU 8 CO 0.69 0.23 0.00 -1.28 -0.62 0.00 0.00 178.44 177.46 1c54 h SER 9 N 0.56 0.00 0.68 1.25 0.87 -1.84 -2.14 113.55 112.93 1c54 h SER 9 Ca 0.49 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.78 1c54 h SER 9 Cb 0.99 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1c54 h SER 9 CO -0.23 0.00 -1.25 0.00 -0.53 0.00 0.00 176.83 174.83 1c54 h ALA 10 N 2.11 0.20 -2.32 6.23 0.00 -1.06 -3.47 119.26 120.95 1c54 h ALA 10 Ca 0.00 -0.95 -0.46 0.00 0.00 0.00 0.00 54.91 53.51 1c54 h ALA 10 Cb 0.32 0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.25 1c54 h ALA 10 CO 0.00 1.08 0.38 -0.51 0.00 0.00 0.00 179.25 180.21 1c54 s LEU 11 N -6.99 2.63 0.98 0.00 1.43 -0.80 -5.04 118.68 110.89 1c54 s LEU 11 Ca -0.04 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1c54 s LEU 11 Cb 0.08 -2.85 0.18 0.00 0.03 0.00 0.00 46.19 43.63 1c54 s LEU 11 CO 0.86 -2.17 1.08 -2.16 0.23 0.00 0.00 176.35 174.19 1c54 s PRO 12 N -5.64 0.56 0.54 1.29 0.04 -1.26 -4.91 135.00 125.62 1c54 s PRO 12 Ca 0.66 0.83 0.32 0.00 0.04 0.00 0.00 61.00 62.85 1c54 s PRO 12 Cb -0.08 -1.73 1.51 0.00 0.04 0.00 0.00 34.50 34.24 1c54 s PRO 12 CO 0.50 -2.72 2.06 -1.00 0.04 0.00 0.00 177.00 175.87 1c54 h PRO 13 N -1.90 0.00 -0.00 0.56 0.13 -1.97 -0.96 132.00 127.86 1c54 h PRO 13 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1c54 h PRO 13 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1c54 h PRO 13 CO 0.53 0.08 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.40 1c54 n GLU 14 N -3.35 0.17 0.21 0.86 0.00 -1.26 -3.50 120.64 113.77 1c54 n GLU 14 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 57.16 57.16 1c54 n GLU 14 Cb 0.26 -1.50 0.46 0.00 0.00 0.00 0.00 31.44 30.66 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 3.16 1.54 0.00 -1.84 0.00 -1.41 -1.03 119.26 119.68 1c54 h ALA 15 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1c54 h ALA 15 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1c54 h ALA 15 CO 0.00 0.32 -0.65 0.00 0.00 0.00 0.00 179.25 178.92 1c54 h THR 16 N 0.00 1.41 -0.08 0.00 1.03 -1.72 -3.33 112.91 110.23 1c54 h THR 16 Ca -0.00 -2.28 0.04 0.00 -0.01 0.00 0.00 66.41 64.16 1c54 h THR 16 Cb 0.46 2.25 -0.06 0.00 -1.07 0.00 0.00 68.15 69.74 1c54 h THR 16 CO 0.03 0.64 -0.29 -0.78 -0.01 0.00 0.00 175.52 175.12 1c54 h ASP 17 N 0.00 -0.88 -0.31 0.00 1.82 -1.35 -0.11 116.42 115.60 1c54 h ASP 17 Ca -0.01 0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.82 1c54 h ASP 17 Cb 1.20 0.37 -0.05 0.00 0.68 0.00 0.00 39.33 41.52 1c54 h ASP 17 CO 0.08 -0.34 -0.02 0.74 -1.61 0.00 0.00 179.24 178.10 1c54 h THR 18 N -0.39 0.75 -0.69 2.25 2.02 -1.67 0.14 112.91 115.32 1c54 h THR 18 Ca 0.08 -0.02 0.10 0.00 0.77 0.00 0.00 66.41 67.34 1c54 h THR 18 Cb 0.51 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1c54 h THR 18 CO -0.30 0.01 0.46 -0.07 0.37 0.00 0.00 175.52 175.99 1c54 h LEU 19 N 0.07 0.47 -0.30 2.58 3.38 -1.49 0.46 115.31 120.49 1c54 h LEU 19 Ca 0.15 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1c54 h LEU 19 Cb 0.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1c54 h LEU 19 CO -0.27 0.28 -0.42 -1.13 0.09 0.00 0.00 178.44 176.99 1c54 h ASN 20 N 0.52 0.90 -0.03 -0.43 -0.73 0.41 -0.38 115.58 115.84 1c54 h ASN 20 Ca 0.32 -0.50 -0.09 0.00 1.87 0.00 0.00 56.30 57.90 1c54 h ASN 20 Cb 0.55 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1c54 h ASN 20 CO -0.11 1.22 -0.23 -0.07 -0.37 0.00 0.00 177.43 177.88 1c54 h LEU 21 N 0.59 0.42 -0.24 0.34 3.38 0.83 0.65 115.31 121.28 1c54 h LEU 21 Ca 0.03 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1c54 h LEU 21 Cb 1.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1c54 h LEU 21 CO 0.10 0.66 -0.18 0.40 0.09 0.00 0.00 178.44 179.50 1c54 h ILE 22 N 0.38 1.31 -0.29 1.22 2.04 -0.02 0.31 117.51 122.47 1c54 h ILE 22 Ca 0.06 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.52 1c54 h ILE 22 Cb 0.61 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1c54 h ILE 22 CO 0.04 0.41 -0.15 0.00 0.00 0.00 0.00 178.15 178.45 1c54 h ALA 23 N 0.69 0.40 -0.26 1.87 0.00 -0.73 -3.05 119.26 118.18 1c54 h ALA 23 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1c54 h ALA 23 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1c54 h ALA 23 CO 0.05 0.30 0.00 0.45 0.00 0.00 0.00 179.25 180.05 1c54 n SER 24 N -4.41 2.05 -3.74 0.00 2.88 0.22 -4.92 113.62 105.71 1c54 n SER 24 Ca -0.03 -1.82 -0.27 0.00 -1.33 0.00 0.00 58.87 55.41 1c54 n SER 24 Cb 0.38 -0.17 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.58 -2.44 0.00 -3.46 -0.08 -0.16 -4.55 116.55 106.45 1c54 n ASP 25 Ca 0.16 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.83 1c54 n ASP 25 Cb 0.37 -2.08 0.00 0.00 2.34 0.00 0.00 41.12 41.75 1c54 n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c54 n GLY 26 N -1.03 -1.04 3.75 0.27 0.00 0.91 -4.82 105.19 103.23 1c54 n GLY 26 Ca 0.05 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 0.38 1.61 0.04 -1.26 -4.78 135.00 135.57 1c54 s PRO 27 Ca 0.00 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1c54 s PRO 27 Cb 0.00 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 1c54 s PRO 27 CO 0.00 0.09 0.77 -0.06 0.04 0.00 0.00 177.00 177.84 1c54 s PHE 28 N -0.64 3.44 -0.01 0.56 0.40 -1.26 -4.96 117.98 115.50 1c54 s PHE 28 Ca 0.48 1.12 -0.22 0.00 -0.60 0.00 0.00 56.93 57.71 1c54 s PHE 28 Cb -0.32 -2.49 -0.14 0.00 0.51 0.00 0.00 43.02 40.58 1c54 s PHE 28 CO 0.39 -0.05 1.00 -1.00 0.70 0.00 0.00 175.22 176.25 1c54 h PRO 29 N 1.57 -0.50 -5.96 0.24 0.13 -1.97 -3.47 132.00 122.03 1c54 h PRO 29 Ca -0.47 0.03 -0.56 0.00 -0.87 0.00 0.00 66.00 64.13 1c54 h PRO 29 Cb 1.18 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1c54 h PRO 29 CO 0.64 -0.19 -0.50 1.52 -0.23 0.00 0.00 178.00 179.24 1c54 s TYR 30 N -4.12 2.63 -0.65 1.56 -0.85 -1.26 -5.02 117.35 109.64 1c54 s TYR 30 Ca -0.12 -0.54 -0.05 0.00 -0.52 0.00 0.00 57.07 55.84 1c54 s TYR 30 Cb 0.01 -1.91 -0.08 0.00 0.38 0.00 0.00 41.96 40.37 1c54 s TYR 30 CO 0.44 0.19 2.17 0.43 -1.52 0.00 0.00 175.55 177.26 1c54 n SER 31 N -1.24 4.41 -3.24 -0.18 7.64 -1.26 -4.53 113.62 115.22 1c54 n SER 31 Ca -0.01 -2.25 -0.25 0.00 1.01 0.00 0.00 58.87 57.38 1c54 n SER 31 Cb 0.64 -1.02 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 1c54 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c54 n GLN 32 N 3.74 1.63 -3.59 1.43 6.02 -1.26 -5.06 117.38 120.30 1c54 n GLN 32 Ca 0.39 -3.91 -0.06 0.00 -0.01 0.00 0.00 57.00 53.41 1c54 n GLN 32 Cb 0.25 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 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 -2.04 -0.19 -0.08 1.08 -4.77 -1.24 -3.36 116.67 106.07 1c54 s ASP 33 Ca 0.39 0.11 0.00 0.00 -3.30 0.00 0.00 52.55 49.75 1c54 s ASP 33 Cb 0.20 0.18 0.00 0.00 -1.09 0.00 0.00 42.92 42.21 1c54 s ASP 33 CO -0.08 -0.25 0.00 0.61 0.70 0.00 0.00 175.17 176.15 1c54 n GLY 34 N 0.24 0.36 3.87 2.12 0.00 -1.26 -5.03 105.19 105.49 1c54 n GLY 34 Ca -0.03 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.65 5.33 0.39 1.61 -7.23 -1.26 -5.02 120.40 112.57 1c54 s VAL 35 Ca 0.00 0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 60.37 1c54 s VAL 35 Cb 0.00 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 1c54 s VAL 35 CO 0.00 0.49 0.73 -0.69 -0.31 0.00 0.00 175.10 175.32 1c54 s VAL 36 N -1.17 4.85 -0.31 1.32 1.01 -1.26 -0.53 120.40 124.30 1c54 s VAL 36 Ca 0.22 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1c54 s VAL 36 Cb -0.13 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.59 1c54 s VAL 36 CO 0.11 -0.51 0.01 0.12 0.00 0.00 0.00 175.10 174.84 1c54 s PHE 37 N -2.34 3.38 0.00 5.22 5.36 0.35 -4.68 117.98 125.26 1c54 s PHE 37 Ca 0.49 -2.65 -0.02 0.00 -0.96 0.00 0.00 56.93 53.79 1c54 s PHE 37 Cb -0.10 -2.50 -0.10 0.00 -0.34 0.00 0.00 43.02 39.98 1c54 s PHE 37 CO 0.32 -0.91 2.05 0.94 -1.46 0.00 0.00 175.22 176.15 1c54 n GLN 38 N 4.37 1.05 -3.50 10.12 0.00 -1.26 -4.31 117.38 123.86 1c54 n GLN 38 Ca -0.02 -0.36 -0.02 0.00 -0.00 0.00 0.00 57.00 56.60 1c54 n GLN 38 Cb 0.42 -1.51 -0.00 0.00 0.00 0.00 0.00 30.24 29.15 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 2.17 -0.16 0.00 1.69 2.85 -1.26 -4.73 115.26 115.82 1c54 n ASN 39 Ca 0.15 -0.07 0.05 0.00 -0.11 0.00 0.00 54.58 54.60 1c54 n ASN 39 Cb 0.50 -0.08 0.27 0.00 1.24 0.00 0.00 39.78 41.70 1c54 n ASN 39 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1c54 n ARG 40 N -1.16 0.96 -0.00 1.20 0.00 -1.26 -2.58 116.66 113.82 1c54 n ARG 40 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.89 1c54 n ARG 40 Cb 0.03 -1.15 -0.07 0.00 -0.00 0.00 0.00 32.46 31.28 1c54 n ARG 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1c54 n GLU 41 N -0.65 1.39 -4.19 2.89 1.02 -1.26 -5.02 120.64 114.81 1c54 n GLU 41 Ca 0.07 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1c54 n GLU 41 Cb 0.03 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.64 -3.23 -0.00 1.62 2.88 -1.06 -4.81 113.62 107.37 1c54 n SER 42 Ca -0.01 -0.98 0.05 0.00 -1.33 0.00 0.00 58.87 56.60 1c54 n SER 42 Cb 0.21 -2.65 -0.06 0.00 -0.75 0.00 0.00 64.21 60.95 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 -4.31 0.00 -3.71 2.46 0.31 -1.26 -5.03 118.33 106.78 1c54 n VAL 43 Ca 0.08 -0.24 -0.20 0.00 -0.01 0.00 0.00 64.34 63.97 1c54 n VAL 43 Cb 0.49 0.57 -0.01 0.00 -0.91 0.00 0.00 33.84 33.98 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 -3.16 4.13 0.00 7.52 1.43 -1.26 -3.16 118.68 124.18 1c54 s LEU 44 Ca -0.01 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1c54 s LEU 44 Cb 0.06 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1c54 s LEU 44 CO 0.39 -0.26 0.00 -0.81 0.23 0.00 0.00 176.35 175.90 1c54 n PRO 45 N -1.52 0.92 0.00 1.29 -0.04 -1.26 -4.82 135.00 129.56 1c54 n PRO 45 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1c54 n PRO 45 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.67 0.00 0.00 0.52 -1.04 -1.26 -4.87 114.28 106.96 1c54 n THR 46 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1c54 n THR 46 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 14.00 0.00 -1.36 -2.82 7.27 -1.26 -5.13 117.38 128.08 1c54 n GLN 47 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 57.00 56.61 1c54 n GLN 47 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 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 -1.52 -4.74 1.69 3.41 -1.26 -4.66 113.62 106.53 1c54 n SER 48 Ca 0.00 1.05 -0.40 0.00 -0.26 0.00 0.00 58.87 59.26 1c54 n SER 48 Cb 0.00 -0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 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 -1.11 3.82 0.00 7.33 5.04 -1.26 -3.77 117.35 127.40 1c54 s TYR 49 Ca 0.62 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 1c54 s TYR 49 Cb -0.86 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1c54 s TYR 49 CO 0.56 0.29 0.00 0.41 -1.34 0.00 0.00 175.55 175.47 1c54 n GLY 50 N 2.13 3.11 0.14 8.97 0.00 -1.26 -4.83 105.19 113.45 1c54 n GLY 50 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.03 0.66 -4.60 1.61 9.36 -1.25 -4.58 117.16 117.33 1c54 n TYR 51 Ca 0.00 0.33 -0.28 0.00 3.32 0.00 0.00 57.90 61.27 1c54 n TYR 51 Cb 0.00 -1.02 -0.14 0.00 -0.63 0.00 0.00 39.34 37.55 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 -3.45 2.15 0.06 2.98 1.51 -1.26 -0.16 117.35 119.18 1c54 s TYR 52 Ca -0.01 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1c54 s TYR 52 Cb 0.06 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 1c54 s TYR 52 CO 0.21 0.20 0.03 -1.01 -1.11 0.00 0.00 175.55 173.87 1c54 s HIS 53 N -0.94 0.43 -0.06 2.71 3.76 -0.20 -0.49 115.29 120.50 1c54 s HIS 53 Ca 0.11 -0.95 0.04 0.00 -0.15 0.00 0.00 55.06 54.11 1c54 s HIS 53 Cb -0.10 -0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 1c54 s HIS 53 CO 0.04 -0.42 -0.16 -1.21 -0.85 0.00 0.00 174.74 172.14 1c54 s GLU 54 N -3.91 2.57 -0.48 1.40 2.02 0.31 -1.19 118.70 119.42 1c54 s GLU 54 Ca 0.07 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.39 1c54 s GLU 54 Cb 0.07 -2.37 0.22 0.00 0.10 0.00 0.00 34.13 32.16 1c54 s GLU 54 CO -0.10 0.56 0.75 0.66 0.02 0.00 0.00 175.26 177.14 1c54 n TYR 55 N 2.49 -2.88 -1.55 1.61 4.01 0.22 -3.72 117.16 117.34 1c54 n TYR 55 Ca -0.17 -2.02 -0.54 0.00 -0.16 0.00 0.00 57.90 55.01 1c54 n TYR 55 Cb 0.52 1.17 -0.06 0.00 -0.31 0.00 0.00 39.34 40.66 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 2.08 0.18 -3.01 -0.72 -1.04 -1.21 -2.97 114.28 107.57 1c54 n THR 56 Ca 0.15 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.71 1c54 n THR 56 Cb 0.58 -0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 68.54 1c54 n THR 56 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1c54 s VAL 57 N 0.18 4.97 0.53 12.58 0.11 -1.26 -4.79 120.40 132.73 1c54 s VAL 57 Ca 0.85 1.43 -0.19 0.00 -2.93 0.00 0.00 61.98 61.14 1c54 s VAL 57 Cb -1.05 -4.05 -0.10 0.00 -1.53 0.00 0.00 36.38 29.65 1c54 s VAL 57 CO 0.51 0.12 0.51 -0.38 -3.33 0.00 0.00 175.10 172.54 1c54 n ILE 58 N 4.45 2.03 -3.77 7.04 5.41 -1.26 -4.70 119.36 128.55 1c54 n ILE 58 Ca 0.01 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.13 1c54 n ILE 58 Cb 0.50 -0.63 -0.11 0.00 -0.71 0.00 0.00 39.64 38.68 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 -1.66 0.00 0.41 1.39 2.01 -1.26 -4.56 115.64 111.97 1c54 s THR 59 Ca 0.67 -0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.39 1c54 s THR 59 Cb -0.49 -0.43 -0.08 0.00 0.01 0.00 0.00 72.50 71.51 1c54 s THR 59 CO 0.56 -0.02 1.11 -2.16 -0.69 0.00 0.00 174.62 173.42 1c54 s PRO 60 N 0.06 4.04 -2.01 4.92 0.04 -1.26 -3.21 135.00 137.58 1c54 s PRO 60 Ca -0.01 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1c54 s PRO 60 Cb -0.02 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1c54 s PRO 60 CO 0.01 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1c54 n GLY 61 N 0.45 1.24 3.45 0.56 0.00 -1.26 -4.91 105.19 104.73 1c54 n GLY 61 Ca 0.05 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 -2.78 3.32 0.49 4.61 0.00 -1.20 -4.86 121.76 121.35 1c54 s ALA 62 Ca 0.00 -2.67 0.39 0.00 0.00 0.00 0.00 51.96 49.68 1c54 s ALA 62 Cb 0.00 -4.05 1.57 0.00 0.00 0.00 0.00 23.12 20.64 1c54 s ALA 62 CO 0.00 -2.99 1.61 0.00 0.00 0.00 0.00 175.76 174.38 1c54 h ARG 63 N 8.94 0.03 0.00 0.00 3.08 -1.90 -3.43 114.38 121.09 1c54 h ARG 63 Ca 0.12 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1c54 h ARG 63 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1c54 h ARG 63 CO 1.13 0.02 0.00 0.25 -1.07 0.00 0.00 179.97 180.30 1c54 n THR 64 N -4.38 0.00 0.30 2.04 -2.24 -1.26 -5.00 114.28 103.75 1c54 n THR 64 Ca 0.40 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.38 1c54 n THR 64 Cb 1.66 0.00 1.06 0.00 -2.10 0.00 0.00 70.33 70.96 1c54 n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1c54 h ARG 65 N 0.00 0.00 -2.67 -0.78 3.08 -1.97 -3.48 114.38 108.57 1c54 h ARG 65 Ca 0.00 0.00 0.29 0.00 0.07 0.00 0.00 59.98 60.34 1c54 h ARG 65 Cb 0.00 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 1c54 h ARG 65 CO 0.00 0.00 -0.79 0.41 -1.07 0.00 0.00 179.97 178.52 1c54 n GLY 66 N -1.07 -2.71 0.23 0.04 0.00 -1.26 -4.31 105.19 96.11 1c54 n GLY 66 Ca -0.02 -1.17 0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.09 0.00 -2.69 2.61 1.35 -1.93 -3.44 112.91 107.72 1c54 h THR 67 Ca -0.09 -0.19 -0.53 0.00 -0.55 0.00 0.00 66.41 65.05 1c54 h THR 67 Cb 1.07 0.99 0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1c54 h THR 67 CO 0.04 0.00 0.99 -0.13 -0.25 0.00 0.00 175.52 176.18 1c54 s ARG 68 N -3.67 4.18 -0.17 4.72 1.81 -1.26 0.34 118.95 124.91 1c54 s ARG 68 Ca -0.00 2.41 -0.11 0.00 -1.72 0.00 0.00 55.73 56.31 1c54 s ARG 68 Cb 0.09 -3.45 0.05 0.00 -0.45 0.00 0.00 34.95 31.20 1c54 s ARG 68 CO 0.39 -0.73 0.41 0.50 -0.68 0.00 0.00 175.30 175.19 1c54 s ARG 69 N 2.17 0.42 -0.10 3.54 6.06 -1.26 -4.15 118.95 125.63 1c54 s ARG 69 Ca 0.74 0.73 -0.03 0.00 -2.50 0.00 0.00 55.73 54.67 1c54 s ARG 69 Cb -0.43 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 34.60 1c54 s ARG 69 CO 0.33 -0.13 0.02 0.42 -2.50 0.00 0.00 175.30 173.44 1c54 s ILE 70 N 1.05 4.50 -0.28 4.11 1.01 -1.16 -2.26 121.20 128.18 1c54 s ILE 70 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1c54 s ILE 70 Cb -0.07 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.56 1c54 s ILE 70 CO -0.09 0.59 -0.02 -0.63 0.00 0.00 0.00 174.94 174.79 1c54 s ILE 71 N -0.77 1.81 0.47 2.92 -1.09 0.31 -0.61 121.20 124.24 1c54 s ILE 71 Ca 0.12 -1.64 -0.01 0.00 -2.23 0.00 0.00 60.65 56.89 1c54 s ILE 71 Cb -0.12 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1c54 s ILE 71 CO 0.02 -0.28 0.71 0.42 -1.23 0.00 0.00 174.94 174.58 1c54 s THR 72 N 1.22 3.98 0.34 2.92 -4.23 -0.33 0.85 115.64 120.38 1c54 s THR 72 Ca -0.00 -0.40 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1c54 s THR 72 Cb -0.19 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.21 1c54 s THR 72 CO -0.09 -0.37 0.37 0.61 -0.54 0.00 0.00 174.62 174.61 1c54 n GLY 73 N -2.16 2.36 0.10 3.99 0.00 -0.15 -1.03 105.19 108.31 1c54 n GLY 73 Ca 0.02 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.95 1c54 n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1c54 n GLU 74 N -1.54 0.27 -5.18 1.61 4.07 0.77 -4.64 120.64 116.00 1c54 n GLU 74 Ca 0.05 0.21 -0.32 0.00 -0.06 0.00 0.00 57.16 57.04 1c54 n GLU 74 Cb 0.37 -1.80 -0.17 0.00 -0.06 0.00 0.00 31.44 29.78 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 -3.11 2.22 0.55 4.31 0.00 -1.26 -5.12 121.76 119.36 1c54 s ALA 75 Ca 0.10 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 1c54 s ALA 75 Cb 0.12 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1c54 s ALA 75 CO 0.61 0.31 0.61 2.41 0.00 0.00 0.00 175.76 179.69 1c54 n THR 76 N 3.43 2.40 -2.08 0.00 -1.04 -1.26 -3.50 114.28 112.22 1c54 n THR 76 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1c54 n THR 76 Cb 0.53 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 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 -0.10 0.00 -2.67 -2.82 6.02 -1.26 -5.00 117.38 111.55 1c54 n GLN 77 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1c54 n GLN 77 Cb 0.46 -2.88 0.03 0.00 1.02 0.00 0.00 30.24 28.86 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 -0.77 1.22 -3.60 -1.09 1.02 -1.23 -4.82 120.64 111.37 1c54 n GLU 78 Ca 0.00 -3.30 -0.40 0.00 -0.02 0.00 0.00 57.16 53.44 1c54 n GLU 78 Cb 0.47 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 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 -3.11 5.65 -0.16 1.62 1.47 -1.25 -0.97 116.67 119.91 1c54 s ASP 79 Ca 0.28 -2.34 -0.28 0.00 1.18 0.00 0.00 52.55 51.39 1c54 s ASP 79 Cb 0.45 -1.97 -0.01 0.00 -0.34 0.00 0.00 42.92 41.06 1c54 s ASP 79 CO 0.03 -0.55 0.95 -0.31 0.68 0.00 0.00 175.17 175.96 1c54 s TYR 80 N 0.71 3.43 -0.19 2.11 2.02 0.25 -1.16 117.35 124.52 1c54 s TYR 80 Ca 0.11 1.43 -0.07 0.00 -0.37 0.00 0.00 57.07 58.18 1c54 s TYR 80 Cb -0.22 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.16 1c54 s TYR 80 CO -0.03 -0.30 0.05 -0.47 -1.57 0.00 0.00 175.55 173.23 1c54 s TYR 81 N 2.41 3.19 0.00 2.71 6.14 -0.17 -0.53 117.35 131.10 1c54 s TYR 81 Ca 0.43 -0.07 0.00 0.00 0.64 0.00 0.00 57.07 58.07 1c54 s TYR 81 Cb -0.17 -2.10 0.00 0.00 0.42 0.00 0.00 41.96 40.11 1c54 s TYR 81 CO 0.13 0.02 0.00 -2.37 0.64 0.00 0.00 175.55 173.97 1c54 n THR 82 N 3.84 0.00 -1.23 4.34 5.66 -0.96 -1.96 114.28 123.97 1c54 n THR 82 Ca -0.16 0.42 -0.08 0.00 -3.05 0.00 0.00 64.05 61.17 1c54 n THR 82 Cb 0.52 -1.32 -0.03 0.00 -1.55 0.00 0.00 70.33 67.94 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 1.91 0.93 0.73 1.09 0.00 -1.26 -4.49 105.19 104.10 1c54 n GLY 83 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1c54 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c54 n ASP 84 N -0.23 0.11 -2.89 1.61 8.00 -1.20 -4.55 116.55 117.40 1c54 n ASP 84 Ca -0.08 -1.78 -0.09 0.00 0.71 0.00 0.00 54.79 53.55 1c54 n ASP 84 Cb 0.37 -0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1c54 n HIS 85 N 0.09 -3.46 -3.81 1.24 -0.00 0.15 -4.01 115.22 105.43 1c54 n HIS 85 Ca -0.01 1.43 -0.28 0.00 0.46 0.00 0.00 57.72 59.32 1c54 n HIS 85 Cb 0.74 -3.82 0.01 0.00 -0.12 0.00 0.00 29.99 26.80 1c54 n HIS 85 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1c54 n TYR 86 N -0.05 -1.78 0.00 1.57 4.01 -1.26 -4.91 117.16 114.74 1c54 n TYR 86 Ca 0.08 0.62 0.00 0.00 -0.16 0.00 0.00 57.90 58.44 1c54 n TYR 86 Cb 0.39 -3.69 0.00 0.00 -0.31 0.00 0.00 39.34 35.73 1c54 n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1c54 n ALA 87 N -4.31 2.11 -2.31 -0.72 0.00 -1.26 -5.10 120.51 108.93 1c54 n ALA 87 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1c54 n ALA 87 Cb 0.64 0.50 -0.10 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.99 1.13 -0.24 0.00 -4.23 -1.26 -5.07 115.64 103.98 1c54 s THR 88 Ca 0.00 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 1c54 s THR 88 Cb 0.00 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.77 1c54 s THR 88 CO 0.00 -0.47 0.50 -0.36 -0.54 0.00 0.00 174.62 173.75 1c54 s PHE 89 N -3.36 -1.00 -0.13 3.99 0.08 -1.19 -3.32 117.98 113.06 1c54 s PHE 89 Ca 0.24 1.80 -0.04 0.00 0.12 0.00 0.00 56.93 59.06 1c54 s PHE 89 Cb 0.04 0.48 0.05 0.00 -0.57 0.00 0.00 43.02 43.03 1c54 s PHE 89 CO 0.06 -0.55 0.10 -1.12 -0.10 0.00 0.00 175.22 173.61 1c54 s SER 90 N 2.71 1.76 0.83 1.36 0.01 -0.83 -2.15 113.70 117.39 1c54 s SER 90 Ca -0.03 -0.29 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 1c54 s SER 90 Cb -0.12 -0.11 -0.11 0.00 0.21 0.00 0.00 66.02 65.89 1c54 s SER 90 CO -0.15 -0.31 -0.25 0.18 0.41 0.00 0.00 173.24 173.12 1c54 n LEU 91 N 5.29 -3.51 -4.53 2.44 4.77 0.07 -1.00 117.00 120.53 1c54 n LEU 91 Ca -0.05 0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 55.97 1c54 n LEU 91 Cb 0.49 -0.92 -0.12 0.00 -2.33 0.00 0.00 43.42 40.54 1c54 n LEU 91 CO 0.08 -4.92 -0.39 -0.63 -1.33 0.00 0.00 177.39 170.20 1c54 s ILE 92 N -2.04 3.57 -0.43 -0.08 1.09 -0.31 0.71 121.20 123.72 1c54 s ILE 92 Ca 0.51 -0.52 -0.03 0.00 -1.10 0.00 0.00 60.65 59.51 1c54 s ILE 92 Cb -0.29 -2.47 0.12 0.00 -1.06 0.00 0.00 42.46 38.76 1c54 s ILE 92 CO 0.73 0.58 0.23 -0.62 -0.10 0.00 0.00 174.94 175.75 1c54 s ASP 93 N -0.53 5.26 0.24 3.58 -1.08 -0.11 -4.78 116.67 119.25 1c54 s ASP 93 Ca 0.08 -2.11 -0.07 0.00 -0.52 0.00 0.00 52.55 49.93 1c54 s ASP 93 Cb -0.12 -1.83 0.27 0.00 -1.46 0.00 0.00 42.92 39.77 1c54 s ASP 93 CO 0.02 -0.53 1.88 1.56 0.52 0.00 0.00 175.17 178.62 1c54 h GLN 94 N 7.95 1.07 -0.67 4.34 7.50 -1.95 -0.65 115.11 132.70 1c54 h GLN 94 Ca -0.12 -0.06 0.09 0.00 0.50 0.00 0.00 58.65 59.05 1c54 h GLN 94 Cb 1.04 -0.24 -0.07 0.00 0.05 0.00 0.00 27.48 28.26 1c54 h GLN 94 CO 0.70 0.71 0.32 0.00 -1.50 0.00 0.00 178.83 179.06 1c54 h THR 95 N 1.10 0.85 -0.01 -0.54 1.03 -1.98 -3.42 112.91 109.94 1c54 h THR 95 Ca 0.35 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.55 1c54 h THR 95 Cb -0.00 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 67.32 1c54 h THR 95 CO -0.12 0.10 0.00 0.00 -0.01 0.00 0.00 175.52 175.50