#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 0.90 1.47 2.12 0.31 -1.07 -4.80 118.33 117.26 1c54 n VAL 2 Ca 0.00 -0.23 0.06 0.00 -0.01 0.00 0.00 64.34 64.16 1c54 n VAL 2 Cb 0.00 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.26 1c54 n VAL 2 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1c54 n SER 3 N 1.53 0.00 0.00 4.52 2.88 -1.05 -4.94 113.62 116.56 1c54 n SER 3 Ca 0.16 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.59 1c54 n SER 3 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1c54 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1c54 n GLY 4 N 0.34 0.48 4.01 0.46 0.00 -1.26 -5.07 105.19 104.15 1c54 n GLY 4 Ca 0.08 -2.23 -0.17 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.45 2.91 -0.18 2.61 2.01 -1.26 -1.53 115.64 119.74 1c54 s THR 5 Ca 0.00 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 1c54 s THR 5 Cb 0.00 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.66 1c54 s THR 5 CO 0.00 0.00 0.11 0.54 -0.69 0.00 0.00 174.62 174.58 1c54 s VAL 6 N -2.39 -0.13 0.12 3.82 0.11 0.27 -4.75 120.40 117.45 1c54 s VAL 6 Ca 0.56 -0.19 -0.35 0.00 -2.93 0.00 0.00 61.98 59.07 1c54 s VAL 6 Cb -0.10 -0.62 -0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1c54 s VAL 6 CO 0.34 -0.30 1.07 0.00 -3.33 0.00 0.00 175.10 172.88 1c54 h LEU 8 N 3.11 0.18 -1.56 0.00 6.46 -1.15 0.81 115.31 123.16 1c54 h LEU 8 Ca -0.44 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 1c54 h LEU 8 Cb 1.38 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 1c54 h LEU 8 CO 0.68 0.12 -0.23 -1.28 -0.62 0.00 0.00 178.44 177.11 1c54 h SER 9 N 0.21 0.00 0.68 1.25 0.87 -1.82 -1.54 113.55 113.20 1c54 h SER 9 Ca 0.13 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 1c54 h SER 9 Cb 0.27 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1c54 h SER 9 CO -0.02 0.23 -0.78 0.00 -0.53 0.00 0.00 176.83 175.73 1c54 h ALA 10 N 1.77 0.69 -2.38 6.23 0.00 -1.20 -3.45 119.26 120.92 1c54 h ALA 10 Ca -0.00 -0.69 -0.50 0.00 0.00 0.00 0.00 54.91 53.72 1c54 h ALA 10 Cb 0.45 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.20 1c54 h ALA 10 CO 0.03 0.92 0.37 -0.51 0.00 0.00 0.00 179.25 180.06 1c54 s LEU 11 N -7.37 3.19 1.04 0.00 1.43 -0.58 -5.02 118.68 111.37 1c54 s LEU 11 Ca -0.01 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 1c54 s LEU 11 Cb 0.11 -4.21 0.21 0.00 0.03 0.00 0.00 46.19 42.34 1c54 s LEU 11 CO 0.80 -0.97 1.07 -2.16 0.23 0.00 0.00 176.35 175.32 1c54 s PRO 12 N -5.16 0.11 0.28 1.29 0.04 -1.26 -4.94 135.00 125.36 1c54 s PRO 12 Ca 0.55 0.67 0.06 0.00 0.04 0.00 0.00 61.00 62.32 1c54 s PRO 12 Cb -0.11 -1.69 0.40 0.00 0.04 0.00 0.00 34.50 33.15 1c54 s PRO 12 CO 0.52 -2.99 1.66 -1.00 0.04 0.00 0.00 177.00 175.23 1c54 h PRO 13 N -2.09 0.22 0.00 0.56 0.13 -1.97 -2.48 132.00 126.38 1c54 h PRO 13 Ca -0.56 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1c54 h PRO 13 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1c54 h PRO 13 CO 0.55 0.65 0.00 0.39 -0.23 0.00 0.00 178.00 179.35 1c54 n GLU 14 N -3.98 0.28 0.14 0.86 1.02 -1.26 -3.25 120.64 114.45 1c54 n GLU 14 Ca -0.02 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1c54 n GLU 14 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 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 2.97 -0.42 -0.13 0.62 0.00 -1.66 -3.15 119.26 117.49 1c54 h ALA 15 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1c54 h ALA 15 Cb 0.21 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1c54 h ALA 15 CO 0.00 -0.45 0.19 0.00 0.00 0.00 0.00 179.25 178.98 1c54 h THR 16 N -0.98 0.35 -0.30 0.00 1.03 -1.68 -2.71 112.91 108.61 1c54 h THR 16 Ca -0.04 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.42 1c54 h THR 16 Cb 0.49 0.84 -0.08 0.00 -1.07 0.00 0.00 68.15 68.33 1c54 h THR 16 CO 0.07 0.00 -0.35 -0.78 -0.01 0.00 0.00 175.52 174.45 1c54 h ASP 17 N 0.00 -1.15 -0.43 0.00 3.58 -1.63 0.37 116.42 117.17 1c54 h ASP 17 Ca 0.06 0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 1c54 h ASP 17 Cb 0.44 0.51 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 1c54 h ASP 17 CO -0.00 -0.35 -0.01 0.74 -2.88 0.00 0.00 179.24 176.74 1c54 h THR 18 N -0.33 1.26 -0.90 2.25 2.02 -1.61 -2.19 112.91 113.41 1c54 h THR 18 Ca 0.14 -1.04 0.19 0.00 0.77 0.00 0.00 66.41 66.47 1c54 h THR 18 Cb 0.56 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 1c54 h THR 18 CO -0.48 0.36 0.59 -0.07 0.37 0.00 0.00 175.52 176.28 1c54 h LEU 19 N 0.59 0.46 -0.48 2.58 3.38 -1.41 0.76 115.31 121.19 1c54 h LEU 19 Ca 0.12 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1c54 h LEU 19 Cb 0.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1c54 h LEU 19 CO 0.02 0.19 -0.11 -1.13 0.09 0.00 0.00 178.44 177.51 1c54 h ASN 20 N 0.47 0.93 -0.20 -0.43 -0.73 0.31 0.75 115.58 116.67 1c54 h ASN 20 Ca 0.47 -0.36 -0.10 0.00 1.87 0.00 0.00 56.30 58.18 1c54 h ASN 20 Cb 1.07 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 1c54 h ASN 20 CO -0.19 1.07 -0.20 -0.07 -0.37 0.00 0.00 177.43 177.67 1c54 h LEU 21 N 0.77 0.65 -0.51 0.34 3.38 -0.42 0.81 115.31 120.33 1c54 h LEU 21 Ca 0.12 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1c54 h LEU 21 Cb 0.66 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1c54 h LEU 21 CO 0.05 0.85 0.14 0.40 0.09 0.00 0.00 178.44 179.97 1c54 h ILE 22 N 0.57 1.24 -0.12 1.22 2.04 -0.62 0.31 117.51 122.14 1c54 h ILE 22 Ca 0.09 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1c54 h ILE 22 Cb 0.67 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1c54 h ILE 22 CO 0.05 0.30 -0.15 0.00 0.00 0.00 0.00 178.15 178.34 1c54 h ALA 23 N 1.01 0.18 0.00 1.87 0.00 -0.28 -3.00 119.26 119.04 1c54 h ALA 23 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1c54 h ALA 23 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1c54 h ALA 23 CO -0.00 0.08 0.00 0.45 0.00 0.00 0.00 179.25 179.77 1c54 n SER 24 N -4.57 0.31 -3.85 0.00 2.88 0.28 -4.90 113.62 103.77 1c54 n SER 24 Ca -0.07 0.56 -0.29 0.00 -1.33 0.00 0.00 58.87 57.75 1c54 n SER 24 Cb 0.37 -0.63 0.04 0.00 -0.75 0.00 0.00 64.21 63.24 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 -1.82 -4.91 0.00 -3.46 2.03 0.47 -4.71 116.55 104.15 1c54 n ASP 25 Ca 0.04 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1c54 n ASP 25 Cb 0.25 -4.10 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 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 -1.74 -2.00 3.76 0.27 0.00 0.79 -4.89 105.19 101.38 1c54 n GLY 26 Ca 0.02 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.05 4.65 -0.02 1.61 0.04 -1.26 -4.96 135.00 135.01 1c54 s PRO 27 Ca 0.00 1.79 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1c54 s PRO 27 Cb 0.00 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1c54 s PRO 27 CO 0.00 0.22 0.52 -0.06 0.04 0.00 0.00 177.00 177.73 1c54 s PHE 28 N -1.12 3.67 -0.03 0.56 0.40 -1.26 -4.97 117.98 115.23 1c54 s PHE 28 Ca 0.44 1.09 -0.12 0.00 -0.60 0.00 0.00 56.93 57.75 1c54 s PHE 28 Cb -0.32 -2.51 -0.07 0.00 0.51 0.00 0.00 43.02 40.63 1c54 s PHE 28 CO 0.40 0.40 0.56 -1.00 0.70 0.00 0.00 175.22 176.28 1c54 h PRO 29 N 5.55 -0.43 -7.04 0.24 0.13 -2.01 -3.46 132.00 124.98 1c54 h PRO 29 Ca -0.46 0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.16 1c54 h PRO 29 Cb 1.20 0.10 0.11 0.00 0.13 0.00 0.00 31.00 32.54 1c54 h PRO 29 CO 0.68 -0.28 0.55 0.71 -0.23 0.00 0.00 178.00 179.43 1c54 s TYR 30 N -3.01 2.48 -0.49 1.56 1.51 -1.26 -4.91 117.35 113.23 1c54 s TYR 30 Ca -0.06 1.45 0.19 0.00 -1.01 0.00 0.00 57.07 57.64 1c54 s TYR 30 Cb 0.01 -3.62 0.91 0.00 -0.11 0.00 0.00 41.96 39.14 1c54 s TYR 30 CO 0.19 -2.37 1.59 0.45 -1.11 0.00 0.00 175.55 174.31 1c54 n SER 31 N -0.95 0.49 -4.35 2.29 2.88 -1.26 -4.25 113.62 108.46 1c54 n SER 31 Ca 0.10 0.66 -0.43 0.00 -1.33 0.00 0.00 58.87 57.88 1c54 n SER 31 Cb 0.47 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -2.09 3.14 -3.64 -1.46 6.02 -1.26 -4.79 117.38 113.31 1c54 n GLN 32 Ca 0.01 -3.17 -0.03 0.00 -0.01 0.00 0.00 57.00 53.80 1c54 n GLN 32 Cb 0.13 -3.40 -0.05 0.00 1.02 0.00 0.00 30.24 27.94 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 3.79 -0.08 0.00 1.08 -4.77 -1.25 -3.42 116.67 112.02 1c54 s ASP 33 Ca 0.51 0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.86 1c54 s ASP 33 Cb 0.06 0.08 0.00 0.00 -1.09 0.00 0.00 42.92 41.97 1c54 s ASP 33 CO 0.03 -0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.44 1c54 n GLY 34 N 0.71 0.64 3.16 2.12 0.00 -1.26 -5.08 105.19 105.49 1c54 n GLY 34 Ca -0.03 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.17 1.17 0.36 1.61 -7.23 -1.26 -5.08 120.40 107.80 1c54 s VAL 35 Ca 0.00 -1.11 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 1c54 s VAL 35 Cb 0.00 -1.07 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 1c54 s VAL 35 CO 0.00 -0.04 0.74 -0.69 -0.31 0.00 0.00 175.10 174.80 1c54 s VAL 36 N -0.96 4.77 -0.39 1.32 1.01 -1.26 -1.68 120.40 123.21 1c54 s VAL 36 Ca 0.01 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1c54 s VAL 36 Cb -0.08 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1c54 s VAL 36 CO 0.02 -0.37 0.18 0.12 0.00 0.00 0.00 175.10 175.04 1c54 s PHE 37 N -2.20 1.94 -0.39 5.22 5.36 0.50 -4.74 117.98 123.67 1c54 s PHE 37 Ca 0.52 -2.20 -0.05 0.00 -0.96 0.00 0.00 56.93 54.24 1c54 s PHE 37 Cb -0.10 -1.85 -0.12 0.00 -0.34 0.00 0.00 43.02 40.61 1c54 s PHE 37 CO 0.26 -0.82 2.29 0.94 -1.46 0.00 0.00 175.22 176.42 1c54 n GLN 38 N 4.03 1.60 -3.54 10.12 0.00 -1.26 -4.37 117.38 123.96 1c54 n GLN 38 Ca 0.05 -0.96 -0.13 0.00 -0.00 0.00 0.00 57.00 55.96 1c54 n GLN 38 Cb 0.37 -2.07 -0.01 0.00 0.00 0.00 0.00 30.24 28.54 1c54 n GLN 38 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1c54 n ASN 39 N 3.28 -0.66 0.20 1.69 6.94 -1.26 -4.71 115.26 120.74 1c54 n ASN 39 Ca 0.34 -0.40 0.17 0.00 -0.02 0.00 0.00 54.58 54.67 1c54 n ASN 39 Cb 0.38 -0.49 0.82 0.00 -2.36 0.00 0.00 39.78 38.13 1c54 n ASN 39 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1c54 h ARG 40 N 0.87 0.00 0.00 -3.83 -0.00 -2.01 0.58 114.38 110.00 1c54 h ARG 40 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1c54 h ARG 40 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.40 1c54 h ARG 40 CO 0.18 0.00 0.00 0.39 0.00 0.00 0.00 179.97 180.54 1c54 n GLU 41 N -3.84 0.17 -4.27 0.04 1.02 -1.26 -4.93 120.64 107.58 1c54 n GLU 41 Ca 0.02 0.19 -0.36 0.00 -0.02 0.00 0.00 57.16 56.99 1c54 n GLU 41 Cb 0.33 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.02 -2.49 -0.00 1.62 2.88 0.20 -4.81 113.62 109.00 1c54 n SER 42 Ca 0.05 -1.07 0.06 0.00 -1.33 0.00 0.00 58.87 56.59 1c54 n SER 42 Cb 0.36 -2.50 -0.09 0.00 -0.75 0.00 0.00 64.21 61.23 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 -4.06 2.46 0.31 -1.26 -4.95 118.33 106.49 1c54 n VAL 43 Ca 0.02 -0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 63.80 1c54 n VAL 43 Cb 0.51 0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 34.05 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 3.86 -0.76 7.52 2.01 -1.26 -2.60 118.68 124.29 1c54 s LEU 44 Ca 0.01 0.05 -0.06 0.00 0.01 0.00 0.00 54.13 54.14 1c54 s LEU 44 Cb 0.09 -2.46 -0.10 0.00 0.01 0.00 0.00 46.19 43.73 1c54 s LEU 44 CO 0.54 0.20 2.46 -0.81 1.01 0.00 0.00 176.35 179.76 1c54 n PRO 45 N 0.65 2.19 0.00 1.29 -0.04 -1.26 -4.85 135.00 132.97 1c54 n PRO 45 Ca -0.10 -1.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 1c54 n PRO 45 Cb 0.52 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.58 0.00 0.00 0.52 -1.04 -1.26 -5.00 114.28 111.08 1c54 n THR 46 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 1c54 n THR 46 Cb 0.31 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 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 -0.64 0.00 -4.32 -2.82 0.00 -1.26 -5.15 117.38 103.18 1c54 n GLN 47 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.77 1c54 n GLN 47 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1c54 n GLN 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1c54 s SER 48 N 0.00 4.36 0.08 1.69 1.04 -1.26 -5.13 113.70 114.48 1c54 s SER 48 Ca 0.00 -0.73 -0.20 0.00 0.48 0.00 0.00 55.95 55.50 1c54 s SER 48 Cb 0.00 -0.74 -0.07 0.00 0.10 0.00 0.00 66.02 65.32 1c54 s SER 48 CO 0.00 -0.00 0.59 -0.47 0.98 0.00 0.00 173.24 174.33 1c54 s TYR 49 N -2.37 3.81 0.00 5.02 5.04 -1.26 -3.97 117.35 123.63 1c54 s TYR 49 Ca 0.31 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1c54 s TYR 49 Cb -0.06 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.73 1c54 s TYR 49 CO 0.19 0.58 0.00 0.41 -1.34 0.00 0.00 175.55 175.39 1c54 n GLY 50 N 1.73 0.33 0.14 8.97 0.00 -1.26 -4.87 105.19 110.22 1c54 n GLY 50 Ca -0.10 0.00 0.03 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 -2.65 0.09 -3.81 1.61 9.36 -1.25 -4.78 117.16 115.72 1c54 n TYR 51 Ca 0.00 -0.05 -0.12 0.00 3.32 0.00 0.00 57.90 61.05 1c54 n TYR 51 Cb 0.17 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.78 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 -1.91 -0.14 0.05 2.98 1.51 -1.26 -1.72 117.35 116.86 1c54 s TYR 52 Ca 0.10 0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1c54 s TYR 52 Cb 0.05 0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.92 1c54 s TYR 52 CO 0.08 -0.25 0.01 -1.01 -1.11 0.00 0.00 175.55 173.27 1c54 s HIS 53 N -0.75 0.38 -0.02 2.71 3.76 -0.19 -0.37 115.29 120.81 1c54 s HIS 53 Ca -0.08 -0.82 0.02 0.00 -0.15 0.00 0.00 55.06 54.03 1c54 s HIS 53 Cb -0.05 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.34 1c54 s HIS 53 CO 0.02 -0.36 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.28 1c54 s GLU 54 N -3.22 2.64 -0.48 1.40 2.02 -0.68 -1.25 118.70 119.13 1c54 s GLU 54 Ca 0.00 -0.66 0.06 0.00 0.02 0.00 0.00 54.97 54.40 1c54 s GLU 54 Cb 0.03 -2.55 0.24 0.00 0.10 0.00 0.00 34.13 31.95 1c54 s GLU 54 CO -0.07 0.62 0.87 0.66 0.02 0.00 0.00 175.26 177.36 1c54 n TYR 55 N 1.73 -3.16 -1.56 1.61 4.01 0.07 -3.87 117.16 115.98 1c54 n TYR 55 Ca -0.16 -1.87 -0.57 0.00 -0.16 0.00 0.00 57.90 55.14 1c54 n TYR 55 Cb 0.53 1.45 -0.07 0.00 -0.31 0.00 0.00 39.34 40.94 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 1.59 0.01 -3.08 -0.72 -1.04 -1.22 -3.15 114.28 106.68 1c54 n THR 56 Ca 0.10 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 1c54 n THR 56 Cb 0.63 -0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.49 4.92 0.60 12.58 0.11 -1.24 -4.81 120.40 133.04 1c54 s VAL 57 Ca 0.90 1.01 -0.18 0.00 -2.93 0.00 0.00 61.98 60.78 1c54 s VAL 57 Cb -1.16 -4.01 -0.12 0.00 -1.53 0.00 0.00 36.38 29.56 1c54 s VAL 57 CO 0.55 -0.11 0.01 -0.38 -3.33 0.00 0.00 175.10 171.84 1c54 n ILE 58 N 5.36 0.69 -3.82 7.04 5.41 -1.26 -4.67 119.36 128.11 1c54 n ILE 58 Ca 0.00 -0.49 -0.12 0.00 1.00 0.00 0.00 62.75 63.14 1c54 n ILE 58 Cb 0.49 -0.24 -0.11 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.02 0.38 1.39 2.01 -1.26 -4.48 115.64 111.76 1c54 s THR 59 Ca 0.58 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 1c54 s THR 59 Cb -0.43 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 1c54 s THR 59 CO 0.65 -0.10 1.05 -2.16 -0.69 0.00 0.00 174.62 173.36 1c54 s PRO 60 N -0.32 4.26 -1.58 4.92 0.04 -1.26 -3.33 135.00 137.72 1c54 s PRO 60 Ca -0.04 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1c54 s PRO 60 Cb -0.03 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1c54 s PRO 60 CO 0.01 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1c54 n GLY 61 N 0.46 -0.10 3.38 0.56 0.00 -1.26 -4.91 105.19 103.32 1c54 n GLY 61 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.81 3.71 0.48 4.61 0.00 -1.21 -4.89 121.76 121.64 1c54 s ALA 62 Ca 0.00 -2.90 0.39 0.00 0.00 0.00 0.00 51.96 49.45 1c54 s ALA 62 Cb 0.00 -3.67 1.56 0.00 0.00 0.00 0.00 23.12 21.00 1c54 s ALA 62 CO 0.00 -2.50 1.53 0.54 0.00 0.00 0.00 175.76 175.33 1c54 n ARG 63 N 5.29 -0.02 -0.11 0.00 1.74 -1.26 -4.65 116.66 117.65 1c54 n ARG 63 Ca 0.11 1.16 0.00 0.00 -0.77 0.00 0.00 57.85 58.35 1c54 n ARG 63 Cb 0.46 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1c54 n ARG 63 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1c54 n THR 64 N -4.35 0.00 0.33 0.55 -2.24 -1.26 -5.00 114.28 102.30 1c54 n THR 64 Ca 0.41 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.37 1c54 n THR 64 Cb 1.71 0.00 0.97 0.00 -2.10 0.00 0.00 70.33 70.91 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 -2.24 -0.78 3.08 -1.98 -3.47 114.38 108.99 1c54 h ARG 65 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.29 1c54 h ARG 65 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1c54 h ARG 65 CO 0.00 0.00 -0.66 0.41 -1.07 0.00 0.00 179.97 178.65 1c54 n GLY 66 N -1.17 -2.59 0.00 0.04 0.00 -1.26 -4.33 105.19 95.88 1c54 n GLY 66 Ca -0.02 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.66 0.46 -2.29 2.61 -2.24 -1.26 -4.74 114.28 103.16 1c54 n THR 67 Ca -0.04 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1c54 n THR 67 Cb 0.45 -0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.53 4.01 -0.02 -0.78 1.81 -1.26 0.09 118.95 120.28 1c54 s ARG 68 Ca 0.17 1.59 -0.00 0.00 -1.72 0.00 0.00 55.73 55.77 1c54 s ARG 68 Cb 0.12 -3.90 0.02 0.00 -0.45 0.00 0.00 34.95 30.73 1c54 s ARG 68 CO 0.26 -1.01 0.03 0.50 -0.68 0.00 0.00 175.30 174.39 1c54 s ARG 69 N 4.09 -0.02 -0.14 3.54 6.06 -1.26 -3.73 118.95 127.50 1c54 s ARG 69 Ca 0.62 0.13 -0.05 0.00 -2.50 0.00 0.00 55.73 53.93 1c54 s ARG 69 Cb -0.22 -0.15 -0.04 0.00 0.06 0.00 0.00 34.95 34.60 1c54 s ARG 69 CO 0.23 -0.11 0.03 0.42 -2.50 0.00 0.00 175.30 173.37 1c54 s ILE 70 N 0.68 4.53 -0.27 4.11 1.01 -1.19 -1.99 121.20 128.08 1c54 s ILE 70 Ca -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1c54 s ILE 70 Cb -0.08 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.48 1c54 s ILE 70 CO -0.02 0.52 -0.04 -0.63 0.00 0.00 0.00 174.94 174.78 1c54 s ILE 71 N -0.11 1.80 0.43 2.92 -1.09 0.26 -0.75 121.20 124.66 1c54 s ILE 71 Ca 0.05 -1.58 0.00 0.00 -2.23 0.00 0.00 60.65 56.90 1c54 s ILE 71 Cb -0.12 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.65 1c54 s ILE 71 CO 0.02 -0.23 0.65 0.42 -1.23 0.00 0.00 174.94 174.57 1c54 s THR 72 N 1.23 4.15 0.13 2.92 -4.23 -0.38 0.94 115.64 120.40 1c54 s THR 72 Ca -0.02 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1c54 s THR 72 Cb -0.19 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1c54 s THR 72 CO -0.08 -0.37 0.13 0.61 -0.54 0.00 0.00 174.62 174.38 1c54 n GLY 73 N -2.03 2.53 0.10 3.99 0.00 -0.46 -1.02 105.19 108.30 1c54 n GLY 73 Ca 0.01 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.01 0.21 -4.93 1.61 4.07 -0.70 -4.64 120.64 115.25 1c54 n GLU 74 Ca 0.01 0.26 -0.33 0.00 -0.06 0.00 0.00 57.16 57.05 1c54 n GLU 74 Cb 0.14 -1.79 -0.15 0.00 -0.06 0.00 0.00 31.44 29.58 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 -3.15 2.48 0.67 4.31 0.00 -1.26 -5.12 121.76 119.69 1c54 s ALA 75 Ca 0.09 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1c54 s ALA 75 Cb 0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1c54 s ALA 75 CO 0.52 0.31 1.00 2.41 0.00 0.00 0.00 175.76 180.00 1c54 n THR 76 N 3.34 3.46 -2.31 0.00 -1.04 -1.26 -3.44 114.28 113.02 1c54 n THR 76 Ca -0.18 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.05 61.33 1c54 n THR 76 Cb 0.53 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 -1.56 -0.92 -3.02 -2.82 6.02 -1.26 -4.98 117.38 108.84 1c54 n GLN 77 Ca 0.14 0.25 -0.16 0.00 -0.01 0.00 0.00 57.00 57.22 1c54 n GLN 77 Cb 0.49 -3.86 -0.01 0.00 1.02 0.00 0.00 30.24 27.87 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 -1.57 1.16 -3.88 -1.09 1.02 -1.22 -4.81 120.64 110.26 1c54 n GLU 78 Ca -0.04 -3.43 -0.35 0.00 -0.02 0.00 0.00 57.16 53.32 1c54 n GLU 78 Cb 0.54 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.68 5.90 -0.20 1.62 2.15 -1.26 -1.35 116.67 120.85 1c54 s ASP 79 Ca 0.37 0.15 -0.09 0.00 0.43 0.00 0.00 52.55 53.42 1c54 s ASP 79 Cb 0.38 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.93 1c54 s ASP 79 CO -0.05 0.18 0.09 -0.31 -0.17 0.00 0.00 175.17 174.91 1c54 s TYR 80 N 0.35 3.30 -0.20 -5.34 2.02 0.27 -0.18 117.35 117.57 1c54 s TYR 80 Ca 0.05 0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.85 1c54 s TYR 80 Cb -0.12 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1c54 s TYR 80 CO -0.01 0.17 0.01 -0.47 -1.57 0.00 0.00 175.55 173.68 1c54 s TYR 81 N 0.47 3.05 -0.02 2.71 6.14 0.08 -0.57 117.35 129.21 1c54 s TYR 81 Ca 0.05 -0.45 -0.01 0.00 0.64 0.00 0.00 57.07 57.31 1c54 s TYR 81 Cb -0.12 -2.10 -0.00 0.00 0.42 0.00 0.00 41.96 40.16 1c54 s TYR 81 CO 0.00 -0.24 -0.02 0.00 0.64 0.00 0.00 175.55 175.93 1c54 h THR 82 N 5.38 0.00 0.00 4.34 1.03 -1.48 -0.05 112.91 122.14 1c54 h THR 82 Ca -0.36 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 1c54 h THR 82 Cb 1.18 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1c54 h THR 82 CO 0.61 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.73 1c54 n GLY 83 N 1.82 0.41 0.06 2.99 0.00 -1.22 -4.58 105.19 104.66 1c54 n GLY 83 Ca -0.01 0.00 0.01 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 -0.09 1.07 -2.71 1.61 8.00 -1.15 -4.49 116.55 118.79 1c54 n ASP 84 Ca 0.00 -1.74 -0.06 0.00 0.71 0.00 0.00 54.79 53.70 1c54 n ASP 84 Cb 0.05 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.36 -3.23 -2.91 1.24 -0.00 0.11 -3.89 115.22 106.19 1c54 n HIS 85 Ca 0.02 1.32 -0.20 0.00 -0.00 0.00 0.00 57.72 58.86 1c54 n HIS 85 Cb 0.43 -3.84 0.01 0.00 -0.00 0.00 0.00 29.99 26.59 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 -0.20 -1.65 0.41 1.57 4.01 -1.26 -4.85 117.16 115.20 1c54 n TYR 86 Ca 0.09 0.30 0.04 0.00 -0.16 0.00 0.00 57.90 58.18 1c54 n TYR 86 Cb 0.36 -3.46 -0.02 0.00 -0.31 0.00 0.00 39.34 35.92 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 -3.01 2.93 -3.64 -0.72 0.00 -1.25 -5.05 120.51 109.77 1c54 n ALA 87 Ca -0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 1c54 n ALA 87 Cb 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.50 0.00 -0.29 0.00 -4.23 -1.26 -5.01 115.64 103.34 1c54 s THR 88 Ca 0.06 -0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 60.07 1c54 s THR 88 Cb 0.07 -1.52 0.14 0.00 1.34 0.00 0.00 72.50 72.53 1c54 s THR 88 CO 0.28 0.00 0.63 -0.36 -0.54 0.00 0.00 174.62 174.63 1c54 s PHE 89 N -3.48 -1.37 -0.22 3.99 0.08 -1.21 -3.71 117.98 112.07 1c54 s PHE 89 Ca 0.08 2.16 -0.04 0.00 0.12 0.00 0.00 56.93 59.25 1c54 s PHE 89 Cb -0.02 0.73 0.07 0.00 -0.57 0.00 0.00 43.02 43.23 1c54 s PHE 89 CO -0.03 -0.70 0.08 -1.12 -0.10 0.00 0.00 175.22 173.35 1c54 s SER 90 N 2.88 2.98 0.86 1.36 0.01 -0.03 -2.52 113.70 119.23 1c54 s SER 90 Ca -0.00 -0.95 -0.17 0.00 1.31 0.00 0.00 55.95 56.14 1c54 s SER 90 Cb -0.13 -0.44 -0.14 0.00 0.21 0.00 0.00 66.02 65.52 1c54 s SER 90 CO -0.19 -0.37 -0.58 0.18 0.41 0.00 0.00 173.24 172.69 1c54 n LEU 91 N 5.16 -5.18 -4.66 2.44 4.77 -0.58 -0.74 117.00 118.20 1c54 n LEU 91 Ca -0.07 0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 1c54 n LEU 91 Cb 0.46 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1c54 n LEU 91 CO 0.10 -5.62 -0.26 -0.63 -1.33 0.00 0.00 177.39 169.64 1c54 s ILE 92 N -2.01 4.72 -0.74 -0.08 1.09 0.74 0.94 121.20 125.87 1c54 s ILE 92 Ca 0.45 -0.07 -0.07 0.00 -1.10 0.00 0.00 60.65 59.86 1c54 s ILE 92 Cb -0.27 -3.08 0.19 0.00 -1.06 0.00 0.00 42.46 38.24 1c54 s ILE 92 CO 0.78 0.51 0.61 -0.62 -0.10 0.00 0.00 174.94 176.12 1c54 s ASP 93 N -0.06 5.94 0.20 3.58 2.15 0.11 -4.76 116.67 123.84 1c54 s ASP 93 Ca 0.06 -2.87 -0.09 0.00 0.43 0.00 0.00 52.55 50.09 1c54 s ASP 93 Cb -0.12 -2.01 0.13 0.00 -0.30 0.00 0.00 42.92 40.62 1c54 s ASP 93 CO 0.01 -0.44 1.75 1.56 -0.17 0.00 0.00 175.17 177.88 1c54 h GLN 94 N 7.25 1.13 -1.01 4.34 7.50 -1.94 0.70 115.11 133.09 1c54 h GLN 94 Ca 0.05 -0.23 0.19 0.00 0.50 0.00 0.00 58.65 59.16 1c54 h GLN 94 Cb 0.98 -0.17 -0.11 0.00 0.05 0.00 0.00 27.48 28.23 1c54 h GLN 94 CO 0.74 0.95 0.61 0.00 -1.50 0.00 0.00 178.83 179.63 1c54 h THR 95 N 1.08 0.72 0.00 -0.54 1.03 -1.98 -3.43 112.91 109.78 1c54 h THR 95 Ca 0.24 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1c54 h THR 95 Cb 0.27 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.22 1c54 h THR 95 CO -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 175.52 175.64