#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 0.05 1.53 2.12 0.31 -1.21 -4.82 118.33 116.30 1c54 n VAL 2 Ca 0.00 -0.01 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1c54 n VAL 2 Cb 0.00 -1.19 0.35 0.00 -0.91 0.00 0.00 33.84 32.09 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 3.27 0.00 0.00 4.52 7.64 -1.07 -4.93 113.62 123.05 1c54 n SER 3 Ca 0.18 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1c54 n SER 3 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.39 2.79 3.95 0.23 0.00 -1.26 -5.07 105.19 106.22 1c54 n GLY 4 Ca 0.09 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.94 2.25 -0.21 2.61 2.01 -1.26 -2.39 115.64 116.70 1c54 s THR 5 Ca 0.00 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 1c54 s THR 5 Cb 0.00 -2.90 0.07 0.00 0.01 0.00 0.00 72.50 69.68 1c54 s THR 5 CO 0.00 0.00 0.09 -0.69 -0.69 0.00 0.00 174.62 173.33 1c54 s VAL 6 N -3.26 0.05 -0.04 3.82 1.01 0.28 -4.75 120.40 117.51 1c54 s VAL 6 Ca 0.63 -0.45 -0.37 0.00 0.00 0.00 0.00 61.98 61.79 1c54 s VAL 6 Cb -0.09 -0.81 -0.16 0.00 0.00 0.00 0.00 36.38 35.33 1c54 s VAL 6 CO 0.45 -0.42 1.54 0.00 0.00 0.00 0.00 175.10 176.67 1c54 h LEU 8 N 5.90 0.43 -1.76 0.00 5.85 -0.98 0.85 115.31 125.60 1c54 h LEU 8 Ca -0.47 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 1c54 h LEU 8 Cb 1.32 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1c54 h LEU 8 CO 0.86 0.27 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.85 1c54 h SER 9 N 0.49 0.03 1.05 1.25 0.87 -1.81 -0.50 113.55 114.92 1c54 h SER 9 Ca 0.27 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 1c54 h SER 9 Cb 0.41 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1c54 h SER 9 CO -0.08 0.13 -0.67 0.00 -0.53 0.00 0.00 176.83 175.68 1c54 h ALA 10 N 1.87 0.67 -2.35 6.23 0.00 -1.18 -3.46 119.26 121.05 1c54 h ALA 10 Ca 0.01 -0.61 -0.51 0.00 0.00 0.00 0.00 54.91 53.80 1c54 h ALA 10 Cb 0.19 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 17.97 1c54 h ALA 10 CO 0.01 0.84 0.37 -0.51 0.00 0.00 0.00 179.25 179.96 1c54 s LEU 11 N -6.86 3.05 1.00 0.00 1.43 -0.20 -5.02 118.68 112.09 1c54 s LEU 11 Ca 0.01 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 1c54 s LEU 11 Cb 0.10 -4.40 0.19 0.00 0.03 0.00 0.00 46.19 42.11 1c54 s LEU 11 CO 0.76 -1.49 1.09 -2.16 0.23 0.00 0.00 176.35 174.78 1c54 s PRO 12 N -5.08 0.45 0.30 1.29 0.04 -1.26 -4.92 135.00 125.82 1c54 s PRO 12 Ca 0.58 0.64 0.25 0.00 0.04 0.00 0.00 61.00 62.50 1c54 s PRO 12 Cb -0.14 -1.73 1.05 0.00 0.04 0.00 0.00 34.50 33.72 1c54 s PRO 12 CO 0.55 -2.75 1.74 -1.00 0.04 0.00 0.00 177.00 175.58 1c54 h PRO 13 N -1.91 0.00 -0.12 0.56 0.13 -1.97 -2.00 132.00 126.70 1c54 h PRO 13 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1c54 h PRO 13 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1c54 h PRO 13 CO 0.56 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1c54 n GLU 14 N -2.34 1.91 -0.06 0.86 1.02 -1.26 -4.06 120.64 116.71 1c54 n GLU 14 Ca 0.02 -1.35 -0.14 0.00 -0.02 0.00 0.00 57.16 55.67 1c54 n GLU 14 Cb 0.22 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.06 1c54 n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1c54 h ALA 15 N 4.34 -0.00 -0.03 0.62 0.00 -1.60 -3.18 119.26 119.41 1c54 h ALA 15 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1c54 h ALA 15 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1c54 h ALA 15 CO 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.28 1c54 h THR 16 N -0.90 0.20 0.12 0.00 1.03 -1.72 -2.86 112.91 108.79 1c54 h THR 16 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.41 1c54 h THR 16 Cb 0.90 0.92 -0.05 0.00 -1.07 0.00 0.00 68.15 68.85 1c54 h THR 16 CO 0.00 0.00 -0.52 -0.78 -0.01 0.00 0.00 175.52 174.21 1c54 h ASP 17 N 0.00 -1.57 -0.40 0.00 1.82 -1.73 0.40 116.42 114.94 1c54 h ASP 17 Ca 0.02 0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.79 1c54 h ASP 17 Cb 0.18 0.58 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1c54 h ASP 17 CO -0.00 -0.56 0.12 0.74 -1.61 0.00 0.00 179.24 177.93 1c54 h THR 18 N -0.75 1.22 -0.68 2.25 2.02 -1.67 -0.18 112.91 115.12 1c54 h THR 18 Ca -0.00 -0.72 0.13 0.00 0.77 0.00 0.00 66.41 66.59 1c54 h THR 18 Cb 0.76 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 1c54 h THR 18 CO -0.29 0.25 0.46 -0.07 0.37 0.00 0.00 175.52 176.25 1c54 h LEU 19 N 0.50 0.33 -0.19 2.58 -0.00 -1.50 0.35 115.31 117.37 1c54 h LEU 19 Ca 0.13 0.01 -0.22 0.00 -0.00 0.00 0.00 57.88 57.80 1c54 h LEU 19 Cb 0.27 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1c54 h LEU 19 CO -0.00 0.18 -0.81 -1.13 -0.00 0.00 0.00 178.44 176.67 1c54 h ASN 20 N 0.36 0.82 0.12 -0.43 -0.73 0.66 -0.23 115.58 116.15 1c54 h ASN 20 Ca 0.33 -0.56 -0.12 0.00 1.87 0.00 0.00 56.30 57.82 1c54 h ASN 20 Cb 0.78 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1c54 h ASN 20 CO -0.09 1.35 -0.40 -0.07 -0.37 0.00 0.00 177.43 177.84 1c54 h LEU 21 N 0.45 0.39 -0.37 0.34 3.38 0.83 0.81 115.31 121.14 1c54 h LEU 21 Ca -0.06 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1c54 h LEU 21 Cb 1.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1c54 h LEU 21 CO 0.16 0.75 -0.22 0.40 0.09 0.00 0.00 178.44 179.62 1c54 h ILE 22 N 0.31 1.28 -0.16 1.22 2.04 -0.28 0.41 117.51 122.33 1c54 h ILE 22 Ca 0.03 -1.37 -0.12 0.00 1.00 0.00 0.00 64.86 64.40 1c54 h ILE 22 Cb 0.85 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1c54 h ILE 22 CO 0.07 0.45 -0.38 0.00 0.00 0.00 0.00 178.15 178.29 1c54 h ALA 23 N 0.78 0.26 0.00 1.87 0.00 -0.65 -3.10 119.26 118.43 1c54 h ALA 23 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1c54 h ALA 23 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1c54 h ALA 23 CO 0.06 0.35 0.00 0.45 0.00 0.00 0.00 179.25 180.11 1c54 n SER 24 N -4.29 0.02 -3.70 0.00 2.88 0.28 -4.92 113.62 103.89 1c54 n SER 24 Ca -0.07 0.50 -0.25 0.00 -1.33 0.00 0.00 58.87 57.73 1c54 n SER 24 Cb 0.53 -0.51 0.06 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.52 -4.32 0.00 -3.46 2.03 0.39 -4.69 116.55 104.98 1c54 n ASP 25 Ca 0.07 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.70 1c54 n ASP 25 Cb 0.32 -4.50 0.00 0.00 -0.72 0.00 0.00 41.12 36.22 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 -1.70 -1.89 3.76 0.27 0.00 0.12 -4.89 105.19 100.85 1c54 n GLY 26 Ca -0.08 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 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 4.60 -0.01 1.61 0.04 -1.26 -4.93 135.00 135.05 1c54 s PRO 27 Ca 0.00 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 1c54 s PRO 27 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 1c54 s PRO 27 CO 0.00 0.19 0.51 -0.06 0.04 0.00 0.00 177.00 177.68 1c54 s PHE 28 N -1.20 3.69 -0.04 0.56 0.40 -1.26 -4.98 117.98 115.15 1c54 s PHE 28 Ca 0.45 1.09 -0.09 0.00 -0.60 0.00 0.00 56.93 57.79 1c54 s PHE 28 Cb -0.31 -2.47 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 1c54 s PHE 28 CO 0.40 0.45 0.42 -1.00 0.70 0.00 0.00 175.22 176.20 1c54 h PRO 29 N 5.34 -0.30 -7.18 0.24 0.13 -2.01 -3.46 132.00 124.76 1c54 h PRO 29 Ca -0.47 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 1c54 h PRO 29 Cb 1.20 0.07 0.18 0.00 0.13 0.00 0.00 31.00 32.58 1c54 h PRO 29 CO 0.67 -0.20 0.35 0.66 -0.23 0.00 0.00 178.00 179.26 1c54 n TYR 30 N -4.30 1.35 1.88 1.56 4.02 -1.26 -4.90 117.16 115.50 1c54 n TYR 30 Ca -0.04 0.41 0.12 0.00 -0.01 0.00 0.00 57.90 58.38 1c54 n TYR 30 Cb 0.12 -2.13 0.69 0.00 -0.02 0.00 0.00 39.34 38.00 1c54 n TYR 30 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1c54 n SER 31 N -3.06 0.00 -4.31 7.72 2.88 -1.26 -4.47 113.62 111.12 1c54 n SER 31 Ca 0.14 -1.15 -0.44 0.00 -1.33 0.00 0.00 58.87 56.08 1c54 n SER 31 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1c54 n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c54 n GLN 32 N -0.89 3.62 -3.65 -1.46 6.02 -1.26 -4.90 117.38 114.87 1c54 n GLN 32 Ca 0.17 -4.31 -0.03 0.00 -0.01 0.00 0.00 57.00 52.83 1c54 n GLN 32 Cb 0.08 -2.66 -0.06 0.00 1.02 0.00 0.00 30.24 28.61 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 1.26 -0.06 0.00 1.08 -4.77 -1.26 -3.41 116.67 109.53 1c54 s ASP 33 Ca 0.34 0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.69 1c54 s ASP 33 Cb -0.06 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 41.86 1c54 s ASP 33 CO -0.04 -0.03 0.00 0.61 0.70 0.00 0.00 175.17 176.42 1c54 n GLY 34 N 1.34 1.10 3.27 2.12 0.00 -1.25 -5.07 105.19 106.70 1c54 n GLY 34 Ca -0.08 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.05 1.73 0.47 1.61 -7.23 -1.26 -5.05 120.40 108.62 1c54 s VAL 35 Ca 0.00 -1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 1c54 s VAL 35 Cb 0.00 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 1c54 s VAL 35 CO 0.00 0.16 0.86 -0.69 -0.31 0.00 0.00 175.10 175.12 1c54 s VAL 36 N -0.88 4.74 -0.39 1.32 1.01 -1.26 -1.03 120.40 123.91 1c54 s VAL 36 Ca 0.08 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1c54 s VAL 36 Cb -0.09 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.66 1c54 s VAL 36 CO 0.02 -0.70 0.25 0.12 0.00 0.00 0.00 175.10 174.79 1c54 s PHE 37 N -2.61 1.07 -0.28 5.22 5.36 -0.58 -4.64 117.98 121.53 1c54 s PHE 37 Ca 0.53 -1.93 -0.04 0.00 -0.96 0.00 0.00 56.93 54.53 1c54 s PHE 37 Cb -0.10 -1.12 -0.10 0.00 -0.34 0.00 0.00 43.02 41.35 1c54 s PHE 37 CO 0.37 -0.81 2.02 0.94 -1.46 0.00 0.00 175.22 176.28 1c54 n GLN 38 N 3.68 1.28 -3.41 10.12 7.27 -1.26 -4.40 117.38 130.67 1c54 n GLN 38 Ca 0.15 -0.79 -0.15 0.00 0.07 0.00 0.00 57.00 56.28 1c54 n GLN 38 Cb 0.39 -1.97 -0.04 0.00 2.41 0.00 0.00 30.24 31.02 1c54 n GLN 38 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1c54 n ASN 39 N 3.29 0.17 0.33 1.69 5.15 -1.26 -4.70 115.26 119.91 1c54 n ASN 39 Ca 0.27 -0.59 0.20 0.00 -0.60 0.00 0.00 54.58 53.86 1c54 n ASN 39 Cb 0.34 -0.73 1.08 0.00 -0.53 0.00 0.00 39.78 39.94 1c54 n ASN 39 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1c54 h ARG 40 N -0.20 0.00 -0.00 1.20 0.11 -1.95 0.39 114.38 113.93 1c54 h ARG 40 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1c54 h ARG 40 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 1c54 h ARG 40 CO 0.32 0.00 -0.17 0.39 0.10 0.00 0.00 179.97 180.60 1c54 n GLU 41 N -3.14 0.25 -4.33 0.08 1.02 -1.26 -4.95 120.64 108.31 1c54 n GLU 41 Ca -0.02 -0.08 -0.37 0.00 -0.02 0.00 0.00 57.16 56.67 1c54 n GLU 41 Cb 0.16 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.30 -1.83 -0.00 1.62 2.88 0.14 -4.82 113.62 110.30 1c54 n SER 42 Ca 0.09 -1.14 0.04 0.00 -1.33 0.00 0.00 58.87 56.54 1c54 n SER 42 Cb 0.31 -2.20 -0.05 0.00 -0.75 0.00 0.00 64.21 61.53 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 -4.30 0.00 -3.60 2.46 0.31 -1.26 -4.71 118.33 107.23 1c54 n VAL 43 Ca -0.01 -0.28 -0.30 0.00 -0.01 0.00 0.00 64.34 63.74 1c54 n VAL 43 Cb 0.53 0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 34.24 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 -2.68 4.22 -0.16 7.52 2.01 -1.26 -1.39 118.68 126.93 1c54 s LEU 44 Ca 0.02 0.61 -0.05 0.00 0.01 0.00 0.00 54.13 54.72 1c54 s LEU 44 Cb 0.06 -3.36 -0.20 0.00 0.01 0.00 0.00 46.19 42.70 1c54 s LEU 44 CO 0.33 -0.02 2.92 -0.81 1.01 0.00 0.00 176.35 179.79 1c54 n PRO 45 N -0.22 1.75 0.00 1.29 -0.04 -1.26 -4.60 135.00 131.92 1c54 n PRO 45 Ca -0.02 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1c54 n PRO 45 Cb 0.52 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 2.76 0.00 0.00 0.52 -1.04 -1.26 -5.09 114.28 110.17 1c54 n THR 46 Ca 0.38 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1c54 n THR 46 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 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 -1.14 -2.82 7.27 -1.26 -4.98 117.38 114.45 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 0.03 0.00 2.41 0.00 0.00 30.24 32.68 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 -4.18 -4.76 1.69 3.41 -1.26 -4.62 113.62 103.90 1c54 n SER 48 Ca 0.00 0.45 -0.35 0.00 -0.26 0.00 0.00 58.87 58.71 1c54 n SER 48 Cb 0.00 -0.88 -0.08 0.00 -0.26 0.00 0.00 64.21 62.99 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 -2.00 3.45 0.00 7.33 6.14 -1.26 -4.25 117.35 126.77 1c54 s TYR 49 Ca 0.52 0.39 0.00 0.00 0.64 0.00 0.00 57.07 58.61 1c54 s TYR 49 Cb -0.34 -2.13 0.00 0.00 0.42 0.00 0.00 41.96 39.91 1c54 s TYR 49 CO 0.71 0.38 0.00 0.41 0.64 0.00 0.00 175.55 177.69 1c54 n GLY 50 N 3.20 2.61 0.00 8.97 0.00 -1.26 -4.82 105.19 113.88 1c54 n GLY 50 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.21 1.61 9.36 -1.26 -4.77 117.16 115.89 1c54 n TYR 51 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 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 1.10 0.13 2.98 1.51 -1.26 -1.07 117.35 118.75 1c54 s TYR 52 Ca 0.36 -1.13 -0.24 0.00 -1.01 0.00 0.00 57.07 55.06 1c54 s TYR 52 Cb 0.17 -0.62 0.07 0.00 -0.11 0.00 0.00 41.96 41.46 1c54 s TYR 52 CO 0.28 -0.35 0.60 -1.01 -1.11 0.00 0.00 175.55 173.95 1c54 s HIS 53 N -3.83 -0.54 -0.00 2.71 3.76 -1.03 -1.53 115.29 114.83 1c54 s HIS 53 Ca 0.25 0.40 0.05 0.00 -0.15 0.00 0.00 55.06 55.61 1c54 s HIS 53 Cb 0.07 0.53 -0.03 0.00 1.11 0.00 0.00 32.58 34.25 1c54 s HIS 53 CO 0.04 -0.81 -0.13 -1.21 -0.85 0.00 0.00 174.74 171.77 1c54 s GLU 54 N -3.46 2.36 -0.49 1.40 2.02 -0.20 -1.72 118.70 118.63 1c54 s GLU 54 Ca -0.00 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.24 1c54 s GLU 54 Cb -0.01 -2.34 0.25 0.00 0.10 0.00 0.00 34.13 32.13 1c54 s GLU 54 CO -0.10 0.59 0.92 0.66 0.02 0.00 0.00 175.26 177.35 1c54 n TYR 55 N 1.83 -3.29 -1.16 1.61 4.01 0.23 -3.89 117.16 116.50 1c54 n TYR 55 Ca -0.16 -1.81 -0.39 0.00 -0.16 0.00 0.00 57.90 55.38 1c54 n TYR 55 Cb 0.52 1.58 -0.02 0.00 -0.31 0.00 0.00 39.34 41.11 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 1.46 1.43 -3.43 -0.72 -1.04 -1.22 -3.41 114.28 107.35 1c54 n THR 56 Ca 0.09 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 61.27 1c54 n THR 56 Cb 0.64 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.97 5.20 0.58 12.58 0.11 0.35 -4.79 120.40 133.45 1c54 s VAL 57 Ca 0.53 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.40 1c54 s VAL 57 Cb -0.73 -3.79 -0.12 0.00 -1.53 0.00 0.00 36.38 30.20 1c54 s VAL 57 CO 0.48 -0.07 0.03 -0.38 -3.33 0.00 0.00 175.10 171.83 1c54 n ILE 58 N 5.21 0.69 -3.75 7.04 -0.00 -1.26 -4.67 119.36 122.62 1c54 n ILE 58 Ca -0.10 -0.49 -0.13 0.00 -0.00 0.00 0.00 62.75 62.03 1c54 n ILE 58 Cb 0.49 -0.23 -0.10 0.00 -0.00 0.00 0.00 39.64 39.80 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 -1.93 0.00 0.44 1.39 2.01 -1.26 -4.55 115.64 111.75 1c54 s THR 59 Ca 0.59 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 1c54 s THR 59 Cb -0.44 -0.53 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 1c54 s THR 59 CO 0.64 -0.02 1.08 -2.16 -0.69 0.00 0.00 174.62 173.47 1c54 s PRO 60 N 0.07 3.96 -1.34 4.92 0.04 -1.26 -3.44 135.00 137.95 1c54 s PRO 60 Ca -0.01 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 1c54 s PRO 60 Cb -0.03 -2.39 0.05 0.00 0.04 0.00 0.00 34.50 32.17 1c54 s PRO 60 CO 0.01 -0.33 0.48 0.41 0.04 0.00 0.00 177.00 177.61 1c54 n GLY 61 N 0.22 -0.50 3.36 0.56 0.00 -1.26 -4.89 105.19 102.69 1c54 n GLY 61 Ca 0.07 0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.97 3.76 0.53 4.61 0.00 -1.22 -4.89 121.76 121.58 1c54 s ALA 62 Ca 0.34 -2.94 0.43 0.00 0.00 0.00 0.00 51.96 49.80 1c54 s ALA 62 Cb -0.17 -3.62 1.64 0.00 0.00 0.00 0.00 23.12 20.96 1c54 s ALA 62 CO 0.42 -2.43 1.63 0.00 0.00 0.00 0.00 175.76 175.37 1c54 h ARG 63 N 8.37 0.02 0.00 0.00 3.08 -1.92 -3.42 114.38 120.51 1c54 h ARG 63 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1c54 h ARG 63 Cb 1.05 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1c54 h ARG 63 CO 0.92 0.01 0.00 0.25 -1.07 0.00 0.00 179.97 180.08 1c54 n THR 64 N -4.16 0.00 0.14 2.04 -2.24 -1.26 -5.00 114.28 103.80 1c54 n THR 64 Ca 0.40 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.27 1c54 n THR 64 Cb 1.75 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 70.47 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 0.12 -0.03 -0.78 1.74 -1.26 -4.93 116.66 111.51 1c54 n ARG 65 Ca 0.00 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1c54 n ARG 65 Cb 0.00 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 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 -1.33 -2.89 0.00 -0.13 0.00 -1.26 -4.67 105.19 94.90 1c54 n GLY 66 Ca -0.01 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.84 1c54 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c54 n THR 67 N -1.31 0.56 -2.57 2.61 -2.24 -1.26 -4.50 114.28 105.56 1c54 n THR 67 Ca 0.00 0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.50 1c54 n THR 67 Cb 0.01 -0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 1c54 n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1c54 s ARG 68 N -2.55 3.78 -0.06 -0.78 1.81 -1.26 -0.46 118.95 119.43 1c54 s ARG 68 Ca 0.15 -1.54 -0.03 0.00 -1.72 0.00 0.00 55.73 52.59 1c54 s ARG 68 Cb 0.10 -5.44 -0.04 0.00 -0.45 0.00 0.00 34.95 29.12 1c54 s ARG 68 CO 0.23 -2.23 0.08 0.50 -0.68 0.00 0.00 175.30 173.19 1c54 s ARG 69 N 4.62 3.15 -0.09 3.54 3.00 -1.26 -0.50 118.95 131.41 1c54 s ARG 69 Ca 0.50 -0.37 0.03 0.00 -1.00 0.00 0.00 55.73 54.89 1c54 s ARG 69 Cb 0.02 -2.93 -0.01 0.00 0.00 0.00 0.00 34.95 32.03 1c54 s ARG 69 CO -0.01 0.70 -0.20 0.42 0.00 0.00 0.00 175.30 176.20 1c54 s ILE 70 N -1.07 2.44 -0.26 4.11 1.01 -1.22 -1.05 121.20 125.15 1c54 s ILE 70 Ca 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1c54 s ILE 70 Cb -0.12 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.48 1c54 s ILE 70 CO 0.08 0.56 -0.01 -0.63 0.00 0.00 0.00 174.94 174.94 1c54 s ILE 71 N 0.08 1.54 0.69 2.92 -1.09 0.51 -0.60 121.20 125.25 1c54 s ILE 71 Ca -0.09 -1.43 -0.09 0.00 -2.23 0.00 0.00 60.65 56.80 1c54 s ILE 71 Cb -0.15 -1.92 0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1c54 s ILE 71 CO 0.06 -0.28 1.04 0.42 -1.23 0.00 0.00 174.94 174.95 1c54 s THR 72 N 1.35 3.19 0.42 2.92 -4.23 -0.70 0.90 115.64 119.49 1c54 s THR 72 Ca -0.00 0.19 0.06 0.00 -1.18 0.00 0.00 61.69 60.76 1c54 s THR 72 Cb -0.19 -3.35 -0.07 0.00 1.34 0.00 0.00 72.50 70.24 1c54 s THR 72 CO -0.10 -0.42 0.01 -0.83 -0.54 0.00 0.00 174.62 172.75 1c54 s GLY 73 N -4.39 2.56 0.28 3.99 0.00 -0.77 -2.46 107.32 106.52 1c54 s GLY 73 Ca 0.58 -1.97 0.22 0.00 0.00 0.00 0.00 44.72 43.55 1c54 s GLY 73 CO 0.49 -2.09 1.67 -2.21 0.00 0.00 0.00 173.10 170.95 1c54 n GLU 74 N -0.99 0.16 -4.11 2.90 4.07 -0.23 -4.42 120.64 118.02 1c54 n GLU 74 Ca -0.07 0.52 -0.34 0.00 -0.06 0.00 0.00 57.16 57.20 1c54 n GLU 74 Cb 0.67 -1.90 -0.10 0.00 -0.06 0.00 0.00 31.44 30.05 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 -3.41 3.29 0.43 4.31 0.00 -1.26 -5.09 121.76 120.05 1c54 s ALA 75 Ca 0.01 -0.77 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 1c54 s ALA 75 Cb 0.08 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1c54 s ALA 75 CO 0.30 0.18 1.40 0.99 0.00 0.00 0.00 175.76 178.63 1c54 s THR 76 N 0.39 2.20 -0.20 0.00 2.01 -1.26 -3.00 115.64 115.77 1c54 s THR 76 Ca 0.01 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1c54 s THR 76 Cb -0.13 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.27 1c54 s THR 76 CO 0.01 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.97 1c54 n GLN 77 N -0.07 -0.18 -2.84 4.92 6.02 -1.26 -4.98 117.38 118.99 1c54 n GLN 77 Ca 0.04 0.14 -0.23 0.00 -0.01 0.00 0.00 57.00 56.95 1c54 n GLN 77 Cb 0.42 -3.77 -0.02 0.00 1.02 0.00 0.00 30.24 27.89 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 -1.33 2.52 -3.57 -1.09 1.02 -1.16 -4.79 120.64 112.24 1c54 n GLU 78 Ca -0.03 -4.24 -0.38 0.00 -0.02 0.00 0.00 57.16 52.49 1c54 n GLU 78 Cb 0.49 -1.99 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 1c54 n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1c54 s ASP 79 N -3.22 6.04 0.00 1.62 -1.08 -1.26 -1.85 116.67 116.92 1c54 s ASP 79 Ca 0.44 -0.02 -0.15 0.00 -0.52 0.00 0.00 52.55 52.29 1c54 s ASP 79 Cb 0.35 -2.13 -0.06 0.00 -1.46 0.00 0.00 42.92 39.62 1c54 s ASP 79 CO -0.12 -0.08 0.43 -0.31 0.52 0.00 0.00 175.17 175.62 1c54 s TYR 80 N 1.78 3.73 -0.18 -5.34 2.02 0.26 -0.19 117.35 119.43 1c54 s TYR 80 Ca 0.08 1.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1c54 s TYR 80 Cb -0.16 -2.33 0.01 0.00 -0.40 0.00 0.00 41.96 39.08 1c54 s TYR 80 CO 0.11 0.61 -0.18 -0.47 -1.57 0.00 0.00 175.55 174.05 1c54 s TYR 81 N -0.99 2.79 -0.06 2.71 5.04 0.13 -0.36 117.35 126.61 1c54 s TYR 81 Ca 0.24 -1.43 -0.00 0.00 -2.44 0.00 0.00 57.07 53.44 1c54 s TYR 81 Cb -0.17 -1.92 -0.00 0.00 0.35 0.00 0.00 41.96 40.21 1c54 s TYR 81 CO 0.14 -0.70 -0.01 1.79 -1.34 0.00 0.00 175.55 175.43 1c54 h THR 82 N 5.86 0.00 0.00 4.34 1.35 -1.19 0.44 112.91 123.71 1c54 h THR 82 Ca -0.42 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1c54 h THR 82 Cb 1.16 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1c54 h THR 82 CO 0.61 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1c54 n GLY 83 N 1.86 1.14 0.00 5.82 0.00 -1.06 -4.48 105.19 108.48 1c54 n GLY 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.09 -2.38 1.61 8.00 -1.04 -4.45 116.55 119.38 1c54 n ASP 84 Ca 0.00 -1.42 -0.04 0.00 0.71 0.00 0.00 54.79 54.04 1c54 n ASP 84 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.21 -2.44 -1.37 1.24 -0.00 0.39 -3.83 115.22 109.01 1c54 n HIS 85 Ca 0.00 1.01 -0.14 0.00 0.46 0.00 0.00 57.72 59.05 1c54 n HIS 85 Cb 0.24 -3.23 -0.06 0.00 -0.12 0.00 0.00 29.99 26.81 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 -0.15 -0.10 1.01 1.57 4.02 -1.26 -4.79 117.16 117.45 1c54 n TYR 86 Ca 0.06 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.06 1c54 n TYR 86 Cb 0.23 -2.85 0.03 0.00 -0.02 0.00 0.00 39.34 36.73 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 1.02 3.27 -3.71 -0.72 0.00 -1.25 -4.99 120.51 114.13 1c54 n ALA 87 Ca -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 52.61 1c54 n ALA 87 Cb 0.56 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.35 0.00 -0.30 0.00 -4.23 -1.26 -4.99 115.64 102.51 1c54 s THR 88 Ca 0.21 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1c54 s THR 88 Cb 0.19 -1.88 0.19 0.00 1.34 0.00 0.00 72.50 72.33 1c54 s THR 88 CO 0.50 0.00 0.61 -0.36 -0.54 0.00 0.00 174.62 174.83 1c54 s PHE 89 N -3.16 -1.58 -0.24 3.99 0.08 -1.22 -3.81 117.98 112.04 1c54 s PHE 89 Ca 0.12 1.67 -0.00 0.00 0.12 0.00 0.00 56.93 58.84 1c54 s PHE 89 Cb -0.01 0.55 0.07 0.00 -0.57 0.00 0.00 43.02 43.06 1c54 s PHE 89 CO 0.00 -0.87 -0.01 -1.12 -0.10 0.00 0.00 175.22 173.13 1c54 s SER 90 N 2.86 3.69 0.99 1.36 0.01 0.15 -2.61 113.70 120.16 1c54 s SER 90 Ca 0.20 -1.19 -0.17 0.00 1.31 0.00 0.00 55.95 56.10 1c54 s SER 90 Cb -0.15 -1.03 -0.11 0.00 0.21 0.00 0.00 66.02 64.95 1c54 s SER 90 CO -0.21 -0.28 -0.62 0.18 0.41 0.00 0.00 173.24 172.72 1c54 n LEU 91 N 4.76 -4.56 -4.54 2.44 4.77 -1.01 0.21 117.00 119.07 1c54 n LEU 91 Ca -0.09 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 1c54 n LEU 91 Cb 0.44 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 1c54 n LEU 91 CO 0.16 -5.20 -0.32 -0.63 -1.33 0.00 0.00 177.39 170.08 1c54 s ILE 92 N -2.08 4.18 -0.66 -0.08 1.09 0.73 0.99 121.20 125.37 1c54 s ILE 92 Ca 0.43 -0.25 -0.12 0.00 -1.10 0.00 0.00 60.65 59.62 1c54 s ILE 92 Cb -0.16 -2.86 0.17 0.00 -1.06 0.00 0.00 42.46 38.56 1c54 s ILE 92 CO 0.78 0.48 0.57 -0.62 -0.10 0.00 0.00 174.94 176.05 1c54 s ASP 93 N 0.42 6.18 0.00 3.58 2.15 0.13 -4.79 116.67 124.33 1c54 s ASP 93 Ca -0.01 -2.38 0.13 0.00 0.43 0.00 0.00 52.55 50.72 1c54 s ASP 93 Cb -0.14 -2.11 0.60 0.00 -0.30 0.00 0.00 42.92 40.97 1c54 s ASP 93 CO 0.02 -0.62 1.39 0.00 -0.17 0.00 0.00 175.17 175.79 1c54 n GLN 94 N 4.34 0.07 -0.05 4.34 3.00 -1.26 -0.41 117.38 127.41 1c54 n GLN 94 Ca 0.03 0.23 -0.21 0.00 -0.01 0.00 0.00 57.00 57.04 1c54 n GLN 94 Cb 0.43 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 29.04 1c54 n GLN 94 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1c54 n THR 95 N -1.42 1.67 1.84 5.09 5.66 -1.26 -4.89 114.28 120.96 1c54 n THR 95 Ca 0.04 -0.54 0.15 0.00 -3.05 0.00 0.00 64.05 60.66 1c54 n THR 95 Cb 0.14 -1.71 0.81 0.00 -1.55 0.00 0.00 70.33 68.02 1c54 n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02