#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c54 s VAL 2 N 0.00 4.40 -2.00 2.12 1.01 -1.25 -4.61 120.40 120.08 1c54 s VAL 2 Ca 0.00 1.60 0.13 0.00 0.00 0.00 0.00 61.98 63.71 1c54 s VAL 2 Cb 0.00 -4.04 0.36 0.00 0.00 0.00 0.00 36.38 32.70 1c54 s VAL 2 CO 0.00 0.39 1.44 -0.24 0.00 0.00 0.00 175.10 176.69 1c54 n SER 3 N 1.22 0.00 0.00 3.32 2.88 -1.01 -4.96 113.62 115.08 1c54 n SER 3 Ca -0.04 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1c54 n SER 3 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.63 0.59 3.98 0.46 0.00 -1.26 -5.05 105.19 104.54 1c54 n GLY 4 Ca 0.09 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.63 2.86 -0.16 2.61 2.01 -1.26 -2.01 115.64 119.05 1c54 s THR 5 Ca 0.00 -0.69 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 1c54 s THR 5 Cb 0.00 -3.05 0.06 0.00 0.01 0.00 0.00 72.50 69.51 1c54 s THR 5 CO 0.00 -0.03 0.06 0.54 -0.69 0.00 0.00 174.62 174.50 1c54 s VAL 6 N -2.68 0.15 0.03 3.82 0.11 0.25 -4.75 120.40 117.33 1c54 s VAL 6 Ca 0.56 -0.24 -0.37 0.00 -2.93 0.00 0.00 61.98 59.00 1c54 s VAL 6 Cb -0.10 -0.70 -0.16 0.00 -1.53 0.00 0.00 36.38 33.88 1c54 s VAL 6 CO 0.38 -0.19 1.44 0.00 -3.33 0.00 0.00 175.10 173.39 1c54 h LEU 8 N 5.22 0.40 -1.55 0.00 6.46 -1.57 0.86 115.31 125.14 1c54 h LEU 8 Ca -0.47 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 1c54 h LEU 8 Cb 1.32 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 1c54 h LEU 8 CO 0.82 0.18 -0.23 -1.28 -0.62 0.00 0.00 178.44 177.32 1c54 h SER 9 N 0.42 0.00 1.05 1.25 0.87 -1.84 -1.23 113.55 114.07 1c54 h SER 9 Ca 0.43 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.89 1c54 h SER 9 Cb 1.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 1c54 h SER 9 CO -0.15 0.23 -0.46 0.00 -0.53 0.00 0.00 176.83 175.92 1c54 h ALA 10 N 1.77 0.85 -2.34 6.23 0.00 -1.14 -3.45 119.26 121.17 1c54 h ALA 10 Ca -0.00 -0.42 -0.49 0.00 0.00 0.00 0.00 54.91 54.00 1c54 h ALA 10 Cb 0.41 -0.07 0.06 0.00 0.00 0.00 0.00 17.79 18.18 1c54 h ALA 10 CO 0.03 0.58 0.26 -0.51 0.00 0.00 0.00 179.25 179.61 1c54 s LEU 11 N -6.86 3.26 1.02 0.00 1.43 -0.47 -5.01 118.68 112.05 1c54 s LEU 11 Ca 0.01 1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.99 1c54 s LEU 11 Cb 0.10 -3.90 0.20 0.00 0.03 0.00 0.00 46.19 42.62 1c54 s LEU 11 CO 0.71 -0.96 1.08 -2.16 0.23 0.00 0.00 176.35 175.25 1c54 s PRO 12 N -5.05 0.26 0.55 1.29 0.04 -1.26 -4.90 135.00 125.92 1c54 s PRO 12 Ca 0.53 0.70 0.36 0.00 0.04 0.00 0.00 61.00 62.64 1c54 s PRO 12 Cb -0.11 -1.70 1.73 0.00 0.04 0.00 0.00 34.50 34.46 1c54 s PRO 12 CO 0.48 -2.89 2.08 -1.00 0.04 0.00 0.00 177.00 175.71 1c54 h PRO 13 N -2.02 0.00 0.00 0.56 0.13 -1.96 -1.94 132.00 126.77 1c54 h PRO 13 Ca -0.55 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.43 1c54 h PRO 13 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1c54 h PRO 13 CO 0.54 0.00 -0.93 1.49 -0.23 0.00 0.00 178.00 178.87 1c54 h GLU 14 N 0.00 0.00 -1.03 0.86 4.57 -1.92 -3.34 114.58 113.73 1c54 h GLU 14 Ca 0.00 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.45 1c54 h GLU 14 Cb 0.25 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.72 1c54 h GLU 14 CO 0.00 0.52 0.62 0.00 -1.18 0.00 0.00 179.01 178.98 1c54 h ALA 15 N 1.36 1.98 -0.17 2.92 0.00 -1.64 0.44 119.26 124.16 1c54 h ALA 15 Ca -0.07 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1c54 h ALA 15 Cb 1.55 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1c54 h ALA 15 CO 0.07 -0.47 -0.49 0.00 0.00 0.00 0.00 179.25 178.36 1c54 h THR 16 N 0.46 1.32 0.24 0.00 1.03 -1.71 -3.03 112.91 111.23 1c54 h THR 16 Ca 0.66 -1.71 0.01 0.00 -0.01 0.00 0.00 66.41 65.36 1c54 h THR 16 Cb 1.45 1.73 -0.03 0.00 -1.07 0.00 0.00 68.15 70.22 1c54 h THR 16 CO -0.45 0.52 -0.38 -0.78 -0.01 0.00 0.00 175.52 174.42 1c54 h ASP 17 N 0.35 -1.08 -0.33 0.00 1.82 -0.26 0.38 116.42 117.29 1c54 h ASP 17 Ca 0.02 0.11 0.05 0.00 -0.39 0.00 0.00 57.03 56.82 1c54 h ASP 17 Cb 0.98 0.39 -0.05 0.00 0.68 0.00 0.00 39.33 41.34 1c54 h ASP 17 CO 0.09 -0.49 0.06 0.74 -1.61 0.00 0.00 179.24 178.02 1c54 h THR 18 N -0.70 0.83 -0.51 2.25 2.02 -1.53 -1.09 112.91 114.18 1c54 h THR 18 Ca -0.00 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1c54 h THR 18 Cb 0.67 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1c54 h THR 18 CO -0.15 0.03 0.34 -0.07 0.37 0.00 0.00 175.52 176.05 1c54 h LEU 19 N 0.17 0.35 -0.98 2.58 3.38 -1.32 0.14 115.31 119.63 1c54 h LEU 19 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1c54 h LEU 19 Cb 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1c54 h LEU 19 CO -0.21 0.23 -0.31 -1.13 0.09 0.00 0.00 178.44 177.10 1c54 h ASN 20 N 0.40 0.36 0.69 -0.43 -0.73 0.95 0.18 115.58 117.00 1c54 h ASN 20 Ca 0.23 -0.13 -0.18 0.00 1.87 0.00 0.00 56.30 58.09 1c54 h ASN 20 Cb 0.38 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.85 1c54 h ASN 20 CO -0.06 0.66 -0.83 -0.07 -0.37 0.00 0.00 177.43 176.76 1c54 h LEU 21 N 0.31 0.12 -0.35 0.34 3.38 0.20 0.71 115.31 120.01 1c54 h LEU 21 Ca 0.04 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1c54 h LEU 21 Cb 0.71 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1c54 h LEU 21 CO 0.05 0.89 -0.37 0.40 0.09 0.00 0.00 178.44 179.51 1c54 h ILE 22 N 0.05 1.28 -0.16 1.22 5.03 -0.28 0.28 117.51 124.93 1c54 h ILE 22 Ca -0.02 -1.54 -0.18 0.00 -0.12 0.00 0.00 64.86 63.00 1c54 h ILE 22 Cb 1.45 1.46 0.01 0.00 -3.03 0.00 0.00 36.82 36.70 1c54 h ILE 22 CO 0.12 0.51 -0.59 0.00 -0.68 0.00 0.00 178.15 177.51 1c54 h ALA 23 N 0.74 0.29 -0.37 1.87 0.00 -0.51 -3.21 119.26 118.07 1c54 h ALA 23 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1c54 h ALA 23 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1c54 h ALA 23 CO 0.09 0.53 0.00 0.45 0.00 0.00 0.00 179.25 180.32 1c54 n SER 24 N -4.10 2.48 -3.40 0.00 2.88 0.25 -4.92 113.62 106.80 1c54 n SER 24 Ca -0.07 -1.91 -0.22 0.00 -1.33 0.00 0.00 58.87 55.35 1c54 n SER 24 Cb 0.65 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.85 -2.48 0.00 -3.46 -0.08 -0.07 -4.54 116.55 106.78 1c54 n ASP 25 Ca 0.17 -0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1c54 n ASP 25 Cb 0.42 -2.12 0.00 0.00 2.34 0.00 0.00 41.12 41.76 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 -0.94 -1.63 3.76 0.27 0.00 0.80 -4.86 105.19 102.59 1c54 n GLY 26 Ca 0.02 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.83 135.00 135.18 1c54 s PRO 27 Ca 0.00 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 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 0.55 -0.06 0.04 0.00 0.00 177.00 177.72 1c54 s PHE 28 N -1.20 3.72 -0.03 0.56 0.40 -1.26 -4.91 117.98 115.26 1c54 s PHE 28 Ca 0.45 1.17 -0.09 0.00 -0.60 0.00 0.00 56.93 57.87 1c54 s PHE 28 Cb -0.31 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.65 1c54 s PHE 28 CO 0.40 0.46 0.50 -1.00 0.70 0.00 0.00 175.22 176.28 1c54 h PRO 29 N 5.21 -0.32 -7.27 0.24 0.13 -1.98 -3.46 132.00 124.55 1c54 h PRO 29 Ca -0.47 0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.16 1c54 h PRO 29 Cb 1.21 0.07 0.18 0.00 0.13 0.00 0.00 31.00 32.58 1c54 h PRO 29 CO 0.67 -0.21 0.26 0.71 -0.23 0.00 0.00 178.00 179.20 1c54 s TYR 30 N -2.67 1.90 -2.00 1.56 1.51 -1.26 -4.92 117.35 111.47 1c54 s TYR 30 Ca -0.05 1.72 0.05 0.00 -1.01 0.00 0.00 57.07 57.78 1c54 s TYR 30 Cb 0.00 -3.28 0.27 0.00 -0.11 0.00 0.00 41.96 38.84 1c54 s TYR 30 CO 0.14 -2.54 1.12 0.43 -1.11 0.00 0.00 175.55 173.60 1c54 n SER 31 N -3.90 0.00 -4.23 2.29 7.64 -1.26 -4.52 113.62 109.64 1c54 n SER 31 Ca 0.11 -1.74 -0.41 0.00 1.01 0.00 0.00 58.87 57.84 1c54 n SER 31 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 1c54 n SER 31 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1c54 s GLN 32 N -2.00 3.62 -0.26 1.43 -0.21 -1.26 -4.94 119.66 116.03 1c54 s GLN 32 Ca 0.07 -3.05 -0.30 0.00 0.02 0.00 0.00 55.36 52.10 1c54 s GLN 32 Cb 0.03 -4.24 0.18 0.00 1.00 0.00 0.00 33.01 29.98 1c54 s GLN 32 CO 0.05 -1.25 1.30 0.16 -2.12 0.00 0.00 175.29 173.43 1c54 s ASP 33 N 0.87 -0.09 0.00 5.90 -4.77 -1.25 -3.38 116.67 113.95 1c54 s ASP 33 Ca 0.26 0.09 0.00 0.00 -3.30 0.00 0.00 52.55 49.60 1c54 s ASP 33 Cb -0.10 0.07 0.00 0.00 -1.09 0.00 0.00 42.92 41.80 1c54 s ASP 33 CO -0.09 -0.09 0.00 0.61 0.70 0.00 0.00 175.17 176.30 1c54 n GLY 34 N 0.50 0.69 3.12 2.12 0.00 -1.26 -5.08 105.19 105.28 1c54 n GLY 34 Ca -0.01 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.54 0.94 0.43 1.61 -7.23 -1.26 -5.08 120.40 107.26 1c54 s VAL 35 Ca 0.00 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.02 1c54 s VAL 35 Cb 0.00 -0.89 -0.07 0.00 0.56 0.00 0.00 36.38 35.98 1c54 s VAL 35 CO 0.00 -0.12 0.83 -0.69 -0.31 0.00 0.00 175.10 174.81 1c54 s VAL 36 N -0.99 4.71 -0.40 1.32 1.01 -1.26 -1.76 120.40 123.02 1c54 s VAL 36 Ca -0.02 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1c54 s VAL 36 Cb -0.08 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.71 1c54 s VAL 36 CO 0.01 -0.55 0.21 0.12 0.00 0.00 0.00 175.10 174.90 1c54 s PHE 37 N -2.42 1.65 -0.56 5.22 5.36 0.41 -4.64 117.98 123.01 1c54 s PHE 37 Ca 0.54 -2.14 -0.05 0.00 -0.96 0.00 0.00 56.93 54.31 1c54 s PHE 37 Cb -0.10 -1.64 -0.10 0.00 -0.34 0.00 0.00 43.02 40.83 1c54 s PHE 37 CO 0.30 -0.81 2.28 0.94 -1.46 0.00 0.00 175.22 176.48 1c54 n GLN 38 N 3.84 1.80 -3.51 10.12 0.00 -1.26 -4.40 117.38 123.96 1c54 n GLN 38 Ca 0.08 -1.13 -0.12 0.00 -0.00 0.00 0.00 57.00 55.83 1c54 n GLN 38 Cb 0.36 -2.19 -0.01 0.00 0.00 0.00 0.00 30.24 28.40 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 3.51 -0.60 0.19 1.69 6.94 -1.26 -4.70 115.26 121.03 1c54 n ASN 39 Ca 0.38 -0.39 0.17 0.00 -0.02 0.00 0.00 54.58 54.72 1c54 n ASN 39 Cb 0.32 -0.48 0.81 0.00 -2.36 0.00 0.00 39.78 38.07 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 0.86 0.00 0.00 -3.83 -0.00 -2.01 0.60 114.38 110.01 1c54 h ARG 40 Ca -0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.27 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 0.22 -4.27 0.04 1.02 -1.26 -4.93 120.64 107.61 1c54 n GLU 41 Ca 0.02 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 57.07 1c54 n GLU 41 Cb 0.36 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.19 -2.41 -0.00 1.62 2.88 0.21 -4.81 113.62 108.91 1c54 n SER 42 Ca 0.04 -1.08 0.05 0.00 -1.33 0.00 0.00 58.87 56.55 1c54 n SER 42 Cb 0.35 -2.47 -0.06 0.00 -0.75 0.00 0.00 64.21 61.28 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 -4.33 0.00 -4.01 2.46 0.31 -1.26 -4.60 118.33 106.89 1c54 n VAL 43 Ca 0.02 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.78 1c54 n VAL 43 Cb 0.52 0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 34.36 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 -2.51 3.96 -1.21 7.52 2.01 -1.26 -0.54 118.68 126.65 1c54 s LEU 44 Ca 0.03 0.06 -0.08 0.00 0.01 0.00 0.00 54.13 54.16 1c54 s LEU 44 Cb 0.07 -2.62 -0.07 0.00 0.01 0.00 0.00 46.19 43.59 1c54 s LEU 44 CO 0.40 0.16 2.45 -0.81 1.01 0.00 0.00 176.35 179.56 1c54 n PRO 45 N 0.35 2.73 -0.06 1.29 -0.04 -1.26 -4.57 135.00 133.44 1c54 n PRO 45 Ca -0.08 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1c54 n PRO 45 Cb 0.52 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 4.01 0.00 0.00 0.52 -1.04 -1.26 -5.02 114.28 111.49 1c54 n THR 46 Ca 0.58 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1c54 n THR 46 Cb 0.18 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.80 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 -0.52 0.00 -4.32 -2.82 7.27 -1.26 -5.15 117.38 110.57 1c54 n GLN 47 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 1c54 n GLN 47 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1c54 n GLN 47 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1c54 s SER 48 N 0.00 4.30 -0.11 1.69 1.04 -1.26 -5.12 113.70 114.24 1c54 s SER 48 Ca 0.00 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.43 1c54 s SER 48 Cb 0.00 -0.67 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 1c54 s SER 48 CO 0.00 -0.07 0.56 -0.47 0.98 0.00 0.00 173.24 174.24 1c54 s TYR 49 N -2.41 3.52 0.00 5.02 5.04 -1.26 -3.96 117.35 123.30 1c54 s TYR 49 Ca 0.32 1.00 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1c54 s TYR 49 Cb -0.04 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 39.61 1c54 s TYR 49 CO 0.19 0.11 0.00 0.41 -1.34 0.00 0.00 175.55 174.92 1c54 n GLY 50 N 3.27 0.75 0.57 8.97 0.00 -1.26 -4.94 105.19 112.55 1c54 n GLY 50 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.31 0.35 -3.73 1.61 9.36 -1.25 -4.79 117.16 116.40 1c54 n TYR 51 Ca 0.00 -0.14 -0.14 0.00 3.32 0.00 0.00 57.90 60.95 1c54 n TYR 51 Cb 0.00 -0.10 -0.08 0.00 -0.63 0.00 0.00 39.34 38.53 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 -1.57 -0.23 0.05 2.98 1.51 -1.26 -1.43 117.35 117.39 1c54 s TYR 52 Ca 0.12 0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 56.41 1c54 s TYR 52 Cb 0.08 0.14 0.01 0.00 -0.11 0.00 0.00 41.96 42.07 1c54 s TYR 52 CO 0.05 -0.44 0.21 -1.01 -1.11 0.00 0.00 175.55 173.25 1c54 s HIS 53 N -1.50 0.05 0.01 2.71 3.76 -0.24 -0.44 115.29 119.63 1c54 s HIS 53 Ca -0.12 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 1c54 s HIS 53 Cb -0.04 -0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.60 1c54 s HIS 53 CO 0.04 -0.45 -0.03 -1.21 -0.85 0.00 0.00 174.74 172.24 1c54 s GLU 54 N -2.72 2.67 -0.48 1.40 2.02 -0.72 -0.96 118.70 119.90 1c54 s GLU 54 Ca -0.04 -0.68 0.06 0.00 0.02 0.00 0.00 54.97 54.33 1c54 s GLU 54 Cb -0.00 -2.59 0.25 0.00 0.10 0.00 0.00 34.13 31.89 1c54 s GLU 54 CO -0.05 0.61 0.93 0.66 0.02 0.00 0.00 175.26 177.42 1c54 n TYR 55 N 1.35 -3.25 -1.48 1.61 4.01 -0.26 -3.89 117.16 115.25 1c54 n TYR 55 Ca -0.14 -1.83 -0.54 0.00 -0.16 0.00 0.00 57.90 55.23 1c54 n TYR 55 Cb 0.53 1.56 -0.06 0.00 -0.31 0.00 0.00 39.34 41.06 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 1.43 0.78 -3.39 -0.72 -1.04 -1.22 -3.50 114.28 106.63 1c54 n THR 56 Ca 0.09 -0.20 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 1c54 n THR 56 Cb 0.64 -0.12 -0.09 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.35 5.17 0.69 12.58 0.11 -1.24 -4.82 120.40 132.53 1c54 s VAL 57 Ca 0.80 0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 60.14 1c54 s VAL 57 Cb -1.10 -3.73 -0.14 0.00 -1.53 0.00 0.00 36.38 29.88 1c54 s VAL 57 CO 0.56 0.10 -0.32 -0.38 -3.33 0.00 0.00 175.10 171.73 1c54 n ILE 58 N 5.16 0.11 -3.87 7.04 5.41 -1.26 -4.68 119.36 127.27 1c54 n ILE 58 Ca -0.08 -0.49 -0.12 0.00 1.00 0.00 0.00 62.75 63.05 1c54 n ILE 58 Cb 0.50 -0.05 -0.14 0.00 -0.71 0.00 0.00 39.64 39.25 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 -1.99 -0.00 0.42 1.39 2.01 -1.26 -4.72 115.64 111.48 1c54 s THR 59 Ca 0.52 0.01 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 1c54 s THR 59 Cb -0.38 -0.01 -0.08 0.00 0.01 0.00 0.00 72.50 72.04 1c54 s THR 59 CO 0.71 0.00 1.15 -2.16 -0.69 0.00 0.00 174.62 173.64 1c54 s PRO 60 N 0.03 3.95 -1.10 4.92 0.04 -1.26 -3.16 135.00 138.42 1c54 s PRO 60 Ca -0.00 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1c54 s PRO 60 Cb -0.00 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1c54 s PRO 60 CO -0.00 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1c54 n GLY 61 N 0.52 -0.25 3.34 0.56 0.00 -1.26 -4.88 105.19 103.23 1c54 n GLY 61 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.53 4.01 0.57 4.61 0.00 -1.19 -4.87 121.76 122.36 1c54 s ALA 62 Ca 0.00 -3.25 0.34 0.00 0.00 0.00 0.00 51.96 49.04 1c54 s ALA 62 Cb 0.00 -3.56 1.41 0.00 0.00 0.00 0.00 23.12 20.96 1c54 s ALA 62 CO 0.00 -2.34 1.69 0.00 0.00 0.00 0.00 175.76 175.11 1c54 h ARG 63 N 7.90 0.00 0.00 0.00 3.08 -1.90 -3.43 114.38 120.04 1c54 h ARG 63 Ca 0.10 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.92 1c54 h ARG 63 Cb 1.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 1c54 h ARG 63 CO 0.79 0.00 -0.18 0.25 -1.07 0.00 0.00 179.97 179.76 1c54 n THR 64 N -3.79 0.00 0.31 2.04 -2.24 -1.26 -5.01 114.28 104.32 1c54 n THR 64 Ca 0.22 -0.92 0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1c54 n THR 64 Cb 1.23 0.27 0.79 0.00 -2.10 0.00 0.00 70.33 70.52 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 -1.50 -0.78 3.08 -1.98 -3.47 114.38 109.73 1c54 h ARG 65 Ca -0.14 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.08 1c54 h ARG 65 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 1c54 h ARG 65 CO 0.23 0.00 -0.39 0.41 -1.07 0.00 0.00 179.97 179.15 1c54 n GLY 66 N -1.26 -2.17 0.00 0.04 0.00 -1.26 -4.32 105.19 96.22 1c54 n GLY 66 Ca -0.01 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.21 0.00 -2.74 2.61 -2.24 -1.26 -4.74 114.28 102.70 1c54 n THR 67 Ca -0.01 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1c54 n THR 67 Cb 0.30 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1c54 n THR 67 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1c54 s ARG 68 N -2.00 4.05 -0.04 -0.78 3.52 -1.26 0.02 118.95 122.46 1c54 s ARG 68 Ca 0.35 0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 56.87 1c54 s ARG 68 Cb 0.16 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1c54 s ARG 68 CO 0.27 -0.81 0.09 0.50 -0.81 0.00 0.00 175.30 174.55 1c54 s ARG 69 N 3.40 0.08 -0.01 5.12 6.06 -1.26 -3.67 118.95 128.66 1c54 s ARG 69 Ca 0.41 0.20 -0.01 0.00 -2.50 0.00 0.00 55.73 53.84 1c54 s ARG 69 Cb -0.13 -0.06 -0.04 0.00 0.06 0.00 0.00 34.95 34.78 1c54 s ARG 69 CO 0.14 -0.08 0.08 0.42 -2.50 0.00 0.00 175.30 173.35 1c54 s ILE 70 N 0.52 4.71 -0.15 4.11 1.01 -1.23 -2.43 121.20 127.74 1c54 s ILE 70 Ca -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1c54 s ILE 70 Cb -0.06 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.32 1c54 s ILE 70 CO -0.02 0.38 -0.01 -0.63 0.00 0.00 0.00 174.94 174.66 1c54 s ILE 71 N -1.16 0.71 0.30 2.92 -1.09 -1.13 -1.10 121.20 120.64 1c54 s ILE 71 Ca 0.22 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1c54 s ILE 71 Cb -0.12 -0.99 -0.02 0.00 -1.58 0.00 0.00 42.46 39.75 1c54 s ILE 71 CO 0.13 0.05 0.44 0.42 -1.23 0.00 0.00 174.94 174.74 1c54 s THR 72 N 1.80 4.60 0.47 2.92 -4.23 -0.13 0.60 115.64 121.67 1c54 s THR 72 Ca 0.01 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 1c54 s THR 72 Cb -0.15 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1c54 s THR 72 CO -0.07 -0.25 0.42 0.61 -0.54 0.00 0.00 174.62 174.79 1c54 n GLY 73 N -1.57 2.60 0.08 3.99 0.00 -0.54 -1.08 105.19 108.66 1c54 n GLY 73 Ca -0.04 -2.27 0.13 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.70 0.17 -4.76 1.61 4.07 -0.51 -4.64 120.64 114.87 1c54 n GLU 74 Ca 0.02 0.19 -0.33 0.00 -0.06 0.00 0.00 57.16 56.98 1c54 n GLU 74 Cb 0.53 -1.72 -0.14 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 -3.10 2.65 0.55 4.31 0.00 -1.26 -5.11 121.76 119.80 1c54 s ALA 75 Ca 0.10 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 1c54 s ALA 75 Cb 0.13 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 1c54 s ALA 75 CO 0.53 0.27 0.94 2.41 0.00 0.00 0.00 175.76 179.91 1c54 n THR 76 N 3.42 3.19 -2.02 0.00 -1.04 -1.26 -3.34 114.28 113.24 1c54 n THR 76 Ca -0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1c54 n THR 76 Cb 0.53 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 -0.59 0.00 -2.61 -2.82 6.02 -1.26 -4.99 117.38 111.13 1c54 n GLN 77 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 1c54 n GLN 77 Cb 0.45 -3.22 0.02 0.00 1.02 0.00 0.00 30.24 28.52 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 -0.91 1.82 -3.46 -1.09 1.02 -1.21 -4.82 120.64 111.99 1c54 n GLU 78 Ca 0.00 -3.60 -0.43 0.00 -0.02 0.00 0.00 57.16 53.11 1c54 n GLU 78 Cb 0.48 -1.55 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 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 -3.30 6.42 1.33 1.62 1.47 -1.26 -1.47 116.67 121.48 1c54 s ASP 79 Ca 0.33 -3.07 -0.20 0.00 1.18 0.00 0.00 52.55 50.79 1c54 s ASP 79 Cb 0.43 -2.09 0.32 0.00 -0.34 0.00 0.00 42.92 41.24 1c54 s ASP 79 CO -0.02 -0.41 0.74 -1.22 0.68 0.00 0.00 175.17 174.94 1c54 n TYR 80 N 3.36 -3.07 -3.62 2.11 4.01 0.20 -1.44 117.16 118.72 1c54 n TYR 80 Ca 0.16 -0.52 -0.04 0.00 -0.16 0.00 0.00 57.90 57.34 1c54 n TYR 80 Cb 0.42 -1.41 -0.06 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 -2.15 -1.01 0.00 -0.72 6.14 -0.51 -2.84 117.35 116.27 1c54 s TYR 81 Ca 0.60 1.90 0.00 0.00 0.64 0.00 0.00 57.07 60.21 1c54 s TYR 81 Cb -0.13 0.60 0.00 0.00 0.42 0.00 0.00 41.96 42.86 1c54 s TYR 81 CO 0.53 -0.50 0.00 -2.37 0.64 0.00 0.00 175.55 173.85 1c54 n THR 82 N 4.58 0.00 -0.79 4.34 5.66 -1.02 -0.78 114.28 126.27 1c54 n THR 82 Ca -0.16 0.40 0.00 0.00 -3.05 0.00 0.00 64.05 61.24 1c54 n THR 82 Cb 0.55 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.02 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 1.88 0.49 0.14 1.09 0.00 -1.20 -4.58 105.19 103.01 1c54 n GLY 83 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.05 1.34 -2.72 1.61 9.92 -1.08 -4.46 116.55 121.11 1c54 n ASP 84 Ca 0.00 -2.22 -0.05 0.00 -0.53 0.00 0.00 54.79 51.99 1c54 n ASP 84 Cb 0.03 -0.20 0.01 0.00 -0.64 0.00 0.00 41.12 40.31 1c54 n ASP 84 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1c54 n HIS 85 N -0.64 -3.47 -3.71 1.24 -0.00 0.10 -4.00 115.22 104.75 1c54 n HIS 85 Ca 0.06 1.45 -0.28 0.00 -0.00 0.00 0.00 57.72 58.95 1c54 n HIS 85 Cb 0.53 -3.91 0.01 0.00 -0.00 0.00 0.00 29.99 26.62 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 0.06 -2.05 0.35 1.57 4.02 -1.26 -4.85 117.16 114.99 1c54 n TYR 86 Ca 0.07 0.73 0.05 0.00 -0.01 0.00 0.00 57.90 58.74 1c54 n TYR 86 Cb 0.27 -3.58 -0.07 0.00 -0.02 0.00 0.00 39.34 35.94 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 -4.20 3.10 -3.68 -0.72 0.00 -1.26 -5.05 120.51 108.70 1c54 n ALA 87 Ca 0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 1c54 n ALA 87 Cb 0.53 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.27 0.00 -0.28 0.00 -4.23 -1.26 -5.03 115.64 102.57 1c54 s THR 88 Ca 0.01 -0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.93 1c54 s THR 88 Cb 0.08 -1.60 0.15 0.00 1.34 0.00 0.00 72.50 72.47 1c54 s THR 88 CO 0.45 0.00 0.54 -0.36 -0.54 0.00 0.00 174.62 174.72 1c54 s PHE 89 N -3.72 -1.29 -0.14 3.99 0.08 -1.18 -3.50 117.98 112.21 1c54 s PHE 89 Ca 0.07 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.77 1c54 s PHE 89 Cb -0.03 0.48 0.04 0.00 -0.57 0.00 0.00 43.02 42.94 1c54 s PHE 89 CO -0.01 -0.75 -0.02 -1.12 -0.10 0.00 0.00 175.22 173.22 1c54 s SER 90 N 2.78 2.41 1.02 1.36 0.01 0.04 -2.39 113.70 118.91 1c54 s SER 90 Ca 0.10 -0.49 -0.18 0.00 1.31 0.00 0.00 55.95 56.69 1c54 s SER 90 Cb -0.14 -0.69 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 1c54 s SER 90 CO -0.18 -0.21 -0.32 0.18 0.41 0.00 0.00 173.24 173.12 1c54 n LEU 91 N 5.00 -2.63 -4.40 2.44 4.77 -0.85 -1.42 117.00 119.91 1c54 n LEU 91 Ca -0.10 0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.67 1c54 n LEU 91 Cb 0.49 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1c54 n LEU 91 CO 0.14 -3.88 -0.42 -0.63 -1.33 0.00 0.00 177.39 171.27 1c54 s ILE 92 N -2.19 3.29 -0.70 -0.08 1.09 -0.52 0.88 121.20 122.97 1c54 s ILE 92 Ca 0.49 -0.57 -0.10 0.00 -1.10 0.00 0.00 60.65 59.37 1c54 s ILE 92 Cb -0.13 -2.41 0.18 0.00 -1.06 0.00 0.00 42.46 39.05 1c54 s ILE 92 CO 0.71 0.51 0.59 -0.62 -0.10 0.00 0.00 174.94 176.03 1c54 s ASP 93 N 0.46 6.10 0.38 3.58 -1.08 -0.19 -4.80 116.67 121.13 1c54 s ASP 93 Ca -0.08 -2.59 0.13 0.00 -0.52 0.00 0.00 52.55 49.49 1c54 s ASP 93 Cb -0.15 -2.07 0.95 0.00 -1.46 0.00 0.00 42.92 40.18 1c54 s ASP 93 CO 0.04 -0.54 1.85 1.56 0.52 0.00 0.00 175.17 178.60 1c54 h GLN 94 N 7.69 0.54 -0.36 4.34 7.50 -1.96 -1.03 115.11 131.82 1c54 h GLN 94 Ca 0.00 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.15 1c54 h GLN 94 Cb 1.02 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.40 1c54 h GLN 94 CO 0.77 0.36 0.18 0.00 -1.50 0.00 0.00 178.83 178.64 1c54 h THR 95 N 0.55 0.98 -0.01 -0.54 1.03 -1.98 -3.43 112.91 109.52 1c54 h THR 95 Ca 0.48 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 1c54 h THR 95 Cb 0.97 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 1c54 h THR 95 CO -0.22 0.07 0.00 0.00 -0.01 0.00 0.00 175.52 175.36