#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0h s GLU 2 N 0.00 1.26 -0.14 0.03 8.01 -1.26 -5.11 118.70 121.49 1e0h s GLU 2 Ca 0.00 -0.97 -0.30 0.00 0.01 0.00 0.00 54.97 53.71 1e0h s GLU 2 Cb 0.00 -1.40 0.12 0.00 -4.31 0.00 0.00 34.13 28.54 1e0h s GLU 2 CO 0.00 0.35 0.94 -0.51 0.01 0.00 0.00 175.26 176.05 1e0h s LEU 3 N -1.36 -0.42 0.00 1.80 1.43 -1.26 -4.92 118.68 113.96 1e0h s LEU 3 Ca 0.06 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1e0h s LEU 3 Cb -0.09 1.97 -0.01 0.00 0.03 0.00 0.00 46.19 48.09 1e0h s LEU 3 CO 0.02 -0.39 0.16 0.29 0.23 0.00 0.00 176.35 176.66 1e0h n LYS 4 N 0.76 0.23 0.00 1.70 4.01 -1.26 -5.04 118.16 118.55 1e0h n LYS 4 Ca -0.12 -1.56 0.00 0.00 -0.51 0.00 0.00 58.31 56.13 1e0h n LYS 4 Cb 0.58 1.32 0.00 0.00 -0.51 0.00 0.00 35.03 36.41 1e0h n LYS 4 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1e0h n HIS 5 N -0.30 0.00 -3.79 2.13 8.25 -1.26 -5.02 115.22 115.23 1e0h n HIS 5 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1e0h n HIS 5 Cb 0.29 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 1e0h n HIS 5 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1e0h s SER 6 N -2.23 -0.09 0.00 0.41 0.01 -1.26 -5.01 113.70 105.54 1e0h s SER 6 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1e0h s SER 6 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1e0h s SER 6 CO 0.00 -0.53 0.74 -0.38 0.41 0.00 0.00 173.24 173.48 1e0h n ILE 7 N 0.90 1.05 -0.21 1.44 2.08 -1.26 -1.67 119.36 121.69 1e0h n ILE 7 Ca -0.20 0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1e0h n ILE 7 Cb 0.58 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 1e0h n ILE 7 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1e0h n SER 8 N -1.24 0.26 0.07 4.38 2.88 -1.26 -4.12 113.62 114.58 1e0h n SER 8 Ca 0.00 -0.61 0.13 0.00 -1.33 0.00 0.00 58.87 57.06 1e0h n SER 8 Cb 0.04 0.30 0.48 0.00 -0.75 0.00 0.00 64.21 64.27 1e0h n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1e0h n ASP 9 N -0.30 0.45 -4.55 -3.46 8.00 -0.67 -4.38 116.55 111.65 1e0h n ASP 9 Ca 0.00 0.56 -0.24 0.00 0.71 0.00 0.00 54.79 55.81 1e0h n ASP 9 Cb 0.05 -0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 40.39 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1e0h s TYR 10 N -3.09 2.51 0.85 1.24 -0.85 -1.23 -5.03 117.35 111.75 1e0h s TYR 10 Ca 0.10 -0.27 -0.11 0.00 -0.52 0.00 0.00 57.07 56.27 1e0h s TYR 10 Cb 0.14 -1.14 0.15 0.00 0.38 0.00 0.00 41.96 41.49 1e0h s TYR 10 CO 0.51 0.62 1.19 0.95 -1.52 0.00 0.00 175.55 177.30 1e0h s THR 11 N -2.21 2.07 0.19 -3.49 -4.23 -1.26 -3.34 115.64 103.37 1e0h s THR 11 Ca 0.29 -0.16 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 1e0h s THR 11 Cb -0.07 -2.91 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1e0h s THR 11 CO 0.16 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.89 1e0h h GLU 12 N -1.18 1.03 -0.31 3.99 4.81 -1.88 -1.46 114.58 119.59 1e0h h GLU 12 Ca -0.43 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 58.45 1e0h h GLU 12 Cb 1.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1e0h h GLU 12 CO 0.46 0.89 -0.34 0.00 -0.73 0.00 0.00 179.01 179.29 1e0h h ALA 13 N 1.09 0.83 0.00 2.92 0.00 -1.90 0.18 119.26 122.38 1e0h h ALA 13 Ca 0.22 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1e0h h ALA 13 Cb 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1e0h h ALA 13 CO -0.01 0.64 -0.11 1.49 0.00 0.00 0.00 179.25 181.26 1e0h h GLU 14 N 0.57 0.00 0.04 0.00 4.81 -1.84 -0.31 114.58 117.85 1e0h h GLU 14 Ca 0.06 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.99 1e0h h GLU 14 Cb 0.85 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 1e0h h GLU 14 CO 0.07 0.11 -1.72 0.35 -0.73 0.00 0.00 179.01 177.09 1e0h h PHE 15 N 0.00 0.15 -0.50 0.92 3.57 -0.96 -3.32 116.94 116.80 1e0h h PHE 15 Ca -0.00 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 1e0h h PHE 15 Cb 0.21 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1e0h h PHE 15 CO 0.00 1.22 0.03 1.25 -2.23 0.00 0.00 178.31 178.57 1e0h h LEU 16 N 0.02 0.78 -1.71 0.59 5.85 0.69 0.31 115.31 121.85 1e0h h LEU 16 Ca -0.30 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1e0h h LEU 16 Cb 2.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1e0h h LEU 16 CO 0.09 0.83 -0.06 0.06 -0.34 0.00 0.00 178.44 179.03 1e0h h GLN 17 N 0.77 0.11 -0.01 1.25 3.07 -1.30 -1.37 115.11 117.63 1e0h h GLN 17 Ca 0.15 -0.02 -0.09 0.00 0.09 0.00 0.00 58.65 58.79 1e0h h GLN 17 Cb 0.43 -0.02 0.01 0.00 0.08 0.00 0.00 27.48 27.97 1e0h h GLN 17 CO 0.02 0.18 -0.33 1.25 0.09 0.00 0.00 178.83 180.04 1e0h h LEU 18 N 0.11 0.31 -1.84 0.06 6.46 -1.10 0.13 115.31 119.45 1e0h h LEU 18 Ca 0.03 -0.75 0.03 0.00 -0.12 0.00 0.00 57.88 57.07 1e0h h LEU 18 Cb 0.18 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1e0h h LEU 18 CO 0.01 1.01 0.18 0.58 -0.62 0.00 0.00 178.44 179.60 1e0h h VAL 19 N -0.36 0.98 0.00 1.05 2.07 -0.94 -0.56 116.25 118.48 1e0h h VAL 19 Ca -0.04 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.24 1e0h h VAL 19 Cb 1.05 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1e0h h VAL 19 CO 0.07 0.04 -0.82 0.74 0.02 0.00 0.00 177.57 177.61 1e0h h THR 20 N 0.21 1.58 0.00 2.57 2.02 -0.97 0.13 112.91 118.46 1e0h h THR 20 Ca 0.11 -2.79 -0.03 0.00 0.77 0.00 0.00 66.41 64.47 1e0h h THR 20 Cb 0.18 2.51 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1e0h h THR 20 CO -0.02 0.80 -0.16 0.74 0.37 0.00 0.00 175.52 177.25 1e0h h THR 21 N 0.01 0.72 0.00 3.16 2.02 0.89 0.19 112.91 119.89 1e0h h THR 21 Ca -0.01 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 1e0h h THR 21 Cb 1.45 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1e0h h THR 21 CO 0.11 0.16 -0.37 0.40 0.37 0.00 0.00 175.52 176.18 1e0h h ILE 22 N 0.00 0.80 0.00 3.11 2.04 -1.00 0.37 117.51 122.83 1e0h h ILE 22 Ca -0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1e0h h ILE 22 Cb 0.38 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1e0h h ILE 22 CO 0.02 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.44 1e0h n ASN 24 N -1.04 2.58 -2.12 0.00 4.05 0.66 -4.98 115.26 114.41 1e0h n ASN 24 Ca 0.01 -0.24 -0.14 0.00 0.45 0.00 0.00 54.58 54.66 1e0h n ASN 24 Cb 0.01 1.05 -0.02 0.00 1.23 0.00 0.00 39.78 42.05 1e0h n ASN 24 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1e0h n ALA 25 N -1.34 -0.58 0.00 5.20 0.00 0.13 -4.83 120.51 119.08 1e0h n ALA 25 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1e0h n ALA 25 Cb 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1e0h n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1e0h n ASP 26 N -1.48 0.00 -2.99 0.00 2.03 -1.08 -4.66 116.55 108.38 1e0h n ASP 26 Ca -0.16 0.14 -0.12 0.00 0.52 0.00 0.00 54.79 55.17 1e0h n ASP 26 Cb 0.58 -0.14 0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1e0h n ASP 26 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1e0h n THR 27 N -1.03 0.00 -0.55 5.18 -2.24 -1.26 -4.94 114.28 109.44 1e0h n THR 27 Ca 0.00 -0.57 0.46 0.00 -2.27 0.00 0.00 64.05 61.67 1e0h n THR 27 Cb 0.18 -1.48 0.79 0.00 -2.10 0.00 0.00 70.33 67.72 1e0h n THR 27 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1e0h h SER 28 N -0.52 0.01 0.00 3.42 4.64 -1.96 -3.44 113.55 115.70 1e0h h SER 28 Ca -0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1e0h h SER 28 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1e0h h SER 28 CO 0.15 -0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.90 1e0h n SER 29 N -4.06 0.00 0.00 4.97 7.64 -1.26 -4.94 113.62 115.97 1e0h n SER 29 Ca 0.37 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1e0h n SER 29 Cb 1.70 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.90 1e0h n SER 29 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1e0h n GLU 30 N 0.00 0.00 0.01 1.43 1.02 -1.26 -4.71 120.64 117.13 1e0h n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1e0h n GLU 30 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1e0h n GLU 30 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1e0h n GLU 31 N -2.09 0.00 -0.13 3.49 0.00 -1.26 -3.64 120.64 117.02 1e0h n GLU 31 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.31 1e0h n GLU 31 Cb 0.00 -0.34 0.52 0.00 0.00 0.00 0.00 31.44 31.62 1e0h n GLU 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1e0h h GLU 32 N 0.00 0.37 0.50 5.31 5.08 -1.94 -1.28 114.58 122.61 1e0h h GLU 32 Ca 0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1e0h h GLU 32 Cb 0.58 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1e0h h GLU 32 CO 0.00 0.24 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.94 1e0h h LEU 33 N 0.38 -0.57 -2.23 1.33 3.38 -1.92 0.81 115.31 116.49 1e0h h LEU 33 Ca 0.33 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1e0h h LEU 33 Cb 0.78 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1e0h h LEU 33 CO -0.10 -0.39 0.04 0.58 0.09 0.00 0.00 178.44 178.67 1e0h h VAL 34 N -0.70 0.72 0.18 1.22 2.07 -1.58 0.23 116.25 118.39 1e0h h VAL 34 Ca -0.07 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.16 1e0h h VAL 34 Cb 0.53 0.97 0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1e0h h VAL 34 CO 0.11 0.00 -1.40 0.50 0.02 0.00 0.00 177.57 176.80 1e0h h LYS 35 N 0.00 0.37 -0.67 1.57 3.64 -0.28 -0.18 116.57 121.03 1e0h h LYS 35 Ca 0.02 -0.64 -0.04 0.00 -1.27 0.00 0.00 60.65 58.73 1e0h h LYS 35 Cb 0.10 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1e0h h LYS 35 CO -0.00 1.31 0.27 -0.07 -2.27 0.00 0.00 179.45 178.68 1e0h h LEU 36 N -0.09 0.90 0.47 5.20 -0.00 0.98 0.20 115.31 122.97 1e0h h LEU 36 Ca -0.27 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.46 1e0h h LEU 36 Cb 1.93 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.37 1e0h h LEU 36 CO 0.17 0.80 -0.23 0.58 -0.00 0.00 0.00 178.44 179.76 1e0h h VAL 37 N 0.96 0.52 -0.29 1.22 2.07 -0.54 -1.36 116.25 118.82 1e0h h VAL 37 Ca 0.23 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1e0h h VAL 37 Cb 0.18 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1e0h h VAL 37 CO -0.02 0.03 -0.14 0.74 0.02 0.00 0.00 177.57 178.20 1e0h h THR 38 N -0.75 1.24 -0.37 2.57 2.02 -0.80 0.79 112.91 117.60 1e0h h THR 38 Ca -0.07 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1e0h h THR 38 Cb 0.54 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1e0h h THR 38 CO 0.11 0.35 0.04 -0.74 0.37 0.00 0.00 175.52 175.65 1e0h h HIS 39 N 0.47 0.57 0.36 3.16 6.17 -0.51 -0.14 115.15 125.22 1e0h h HIS 39 Ca 0.08 -0.05 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 1e0h h HIS 39 Cb 0.53 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1e0h h HIS 39 CO 0.02 0.53 -0.17 0.35 0.71 0.00 0.00 177.93 179.36 1e0h h PHE 40 N 0.54 -0.45 -0.24 5.26 3.04 0.26 0.33 116.94 125.67 1e0h h PHE 40 Ca 0.12 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.13 1e0h h PHE 40 Cb 0.28 0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1e0h h PHE 40 CO 0.01 -0.21 0.35 0.93 -2.02 0.00 0.00 178.31 177.36 1e0h h GLU 41 N -0.60 0.00 0.00 1.11 4.39 -0.54 -1.53 114.58 117.41 1e0h h GLU 41 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1e0h h GLU 41 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1e0h h GLU 41 CO 0.08 0.00 -0.14 1.49 -1.16 0.00 0.00 179.01 179.28 1e0h h GLU 42 N 0.00 0.00 -0.27 2.33 4.22 -0.94 -3.41 114.58 116.51 1e0h h GLU 42 Ca 0.12 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.62 1e0h h GLU 42 Cb 0.81 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 1e0h h GLU 42 CO -0.00 0.00 -0.32 0.52 -2.18 0.00 0.00 179.01 177.03 1e0h h MET 43 N -0.58 -0.31 -0.26 1.92 2.86 0.13 -0.90 114.93 117.79 1e0h h MET 43 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1e0h h MET 43 Cb 0.14 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1e0h h MET 43 CO 0.00 -0.21 0.00 -2.37 1.06 0.00 0.00 176.91 175.39 1e0h n THR 44 N -5.41 0.34 -2.34 2.22 5.66 -1.11 -4.33 114.28 109.32 1e0h n THR 44 Ca -0.01 -0.42 -0.16 0.00 -3.05 0.00 0.00 64.05 60.41 1e0h n THR 44 Cb 0.33 0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 69.41 1e0h n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1e0h n GLU 45 N 0.45 -1.93 -4.22 1.09 2.13 -0.34 -4.85 120.64 112.96 1e0h n GLU 45 Ca 0.14 0.80 -0.33 0.00 0.66 0.00 0.00 57.16 58.43 1e0h n GLU 45 Cb 0.32 -5.40 -0.08 0.00 0.27 0.00 0.00 31.44 26.55 1e0h n GLU 45 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1e0h s HIS 46 N -2.77 3.15 0.05 4.31 2.46 -1.26 -5.07 115.29 116.16 1e0h s HIS 46 Ca 0.00 0.12 -0.18 0.00 0.47 0.00 0.00 55.06 55.47 1e0h s HIS 46 Cb 0.00 -1.69 -0.08 0.00 -0.13 0.00 0.00 32.58 30.68 1e0h s HIS 46 CO 0.00 0.49 1.29 -1.00 -2.47 0.00 0.00 174.74 173.05 1e0h h PRO 47 N 4.25 -0.41 -1.09 2.88 0.13 -1.96 -3.36 132.00 132.44 1e0h h PRO 47 Ca -0.49 0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 1e0h h PRO 47 Cb 1.18 0.09 -0.26 0.00 0.13 0.00 0.00 31.00 32.15 1e0h h PRO 47 CO 0.59 -0.28 0.70 0.43 -0.23 0.00 0.00 178.00 179.21 1e0h n SER 48 N -4.00 6.13 0.00 1.44 7.64 -1.26 -4.65 113.62 118.91 1e0h n SER 48 Ca -0.05 -3.53 0.00 0.00 1.01 0.00 0.00 58.87 56.30 1e0h n SER 48 Cb 0.22 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1e0h n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e0h n GLY 49 N -0.71 -2.04 0.00 0.23 0.00 -1.26 0.43 105.19 101.84 1e0h n GLY 49 Ca 0.54 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1e0h n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1e0h n SER 50 N -2.32 0.00 0.00 1.61 3.41 -1.26 -2.09 113.62 112.97 1e0h n SER 50 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1e0h n SER 50 Cb 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1e0h n ASP 51 N -1.02 0.00 -0.09 4.04 8.00 0.10 -4.61 116.55 122.97 1e0h n ASP 51 Ca 0.00 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.36 1e0h n ASP 51 Cb 0.05 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e0h n LEU 52 N 0.00 2.79 0.00 0.64 -0.00 0.17 -3.94 117.00 116.66 1e0h n LEU 52 Ca 0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 56.01 56.03 1e0h n LEU 52 Cb 0.28 -0.64 0.43 0.00 -0.00 0.00 0.00 43.42 43.49 1e0h n LEU 52 CO 0.00 0.76 0.68 -0.38 -0.00 0.00 0.00 177.39 178.45 1e0h n ILE 53 N -3.15 0.23 0.00 1.47 2.08 -1.11 -3.74 119.36 115.14 1e0h n ILE 53 Ca -0.34 0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1e0h n ILE 53 Cb 0.84 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 1e0h n ILE 53 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1e0h n TYR 54 N -1.11 -0.44 -0.03 1.39 4.02 -1.26 -5.03 117.16 114.69 1e0h n TYR 54 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.86 1e0h n TYR 54 Cb 0.08 0.17 -0.11 0.00 -0.02 0.00 0.00 39.34 39.46 1e0h n TYR 54 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1e0h h TYR 55 N 0.00 -0.02 -2.05 -0.72 -1.99 -1.73 -3.44 116.97 107.03 1e0h h TYR 55 Ca 0.00 -0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 1e0h h TYR 55 Cb 0.00 0.01 0.24 0.00 2.00 0.00 0.00 36.73 38.98 1e0h h TYR 55 CO 0.00 0.69 -1.52 -0.35 -0.00 0.00 0.00 178.16 176.98 1e0h n PRO 56 N -4.75 -0.99 0.00 4.88 -0.04 -1.25 -4.35 135.00 128.50 1e0h n PRO 56 Ca -0.09 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1e0h n PRO 56 Cb 0.35 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1e0h n PRO 56 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1e0h n LYS 57 N -0.60 0.00 0.00 0.54 4.81 -1.04 -4.61 118.16 117.26 1e0h n LYS 57 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 1e0h n LYS 57 Cb 0.65 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.84 1e0h n LYS 57 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1e0h n GLU 58 N 0.00 0.29 -0.08 1.64 4.07 -1.26 -3.56 120.64 121.73 1e0h n GLU 58 Ca 0.00 -0.20 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 1e0h n GLU 58 Cb 0.00 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1e0h n GLY 59 N 1.46 0.67 3.25 8.31 0.00 -1.26 -5.15 105.19 112.47 1e0h n GLY 59 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1e0h n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e0h s ASP 60 N -0.02 0.99 -0.87 1.61 -1.08 -1.23 -5.12 116.67 110.95 1e0h s ASP 60 Ca 0.00 -1.59 -0.06 0.00 -0.52 0.00 0.00 52.55 50.38 1e0h s ASP 60 Cb 0.00 0.48 0.22 0.00 -1.46 0.00 0.00 42.92 42.16 1e0h s ASP 60 CO 0.00 -0.96 0.77 -0.62 0.52 0.00 0.00 175.17 174.88 1e0h s ASP 61 N -3.28 6.23 -0.03 -0.34 2.15 -1.26 -2.50 116.67 117.64 1e0h s ASP 61 Ca 0.40 -3.33 -0.01 0.00 0.43 0.00 0.00 52.55 50.05 1e0h s ASP 61 Cb 0.04 -2.01 -0.00 0.00 -0.30 0.00 0.00 42.92 40.65 1e0h s ASP 61 CO 0.21 -0.31 -0.02 -2.24 -0.17 0.00 0.00 175.17 172.64 1e0h h ASP 62 N 6.68 0.00 0.00 -0.34 2.03 -1.82 -2.95 116.42 120.01 1e0h h ASP 62 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1e0h h ASP 62 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1e0h h ASP 62 CO 0.84 0.18 0.00 -0.24 -1.03 0.00 0.00 179.24 178.98 1e0h n SER 63 N -2.90 0.00 -0.54 4.15 2.88 -1.26 0.73 113.62 116.68 1e0h n SER 63 Ca -0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.67 1e0h n SER 63 Cb 0.02 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.95 1e0h n SER 63 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1e0h n PRO 64 N 6.27 1.75 0.03 -1.46 -0.04 -1.26 -4.63 135.00 135.66 1e0h n PRO 64 Ca 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1e0h n PRO 64 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1e0h n PRO 64 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1e0h n SER 65 N 0.33 0.38 -0.10 3.54 3.41 -0.88 -4.42 113.62 115.88 1e0h n SER 65 Ca 0.18 0.08 0.23 0.00 -0.26 0.00 0.00 58.87 59.10 1e0h n SER 65 Cb 0.39 -0.09 0.69 0.00 -0.26 0.00 0.00 64.21 64.93 1e0h n SER 65 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1e0h h GLY 66 N 0.00 0.08 0.72 5.00 0.00 -1.20 0.44 103.07 108.11 1e0h h GLY 66 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1e0h h GLY 66 CO 0.00 0.00 -0.02 0.16 0.00 0.00 0.00 176.54 176.68 1e0h h ILE 67 N 0.04 1.14 0.00 2.60 3.07 0.50 0.76 117.51 125.62 1e0h h ILE 67 Ca 0.34 -0.64 -0.06 0.00 1.55 0.00 0.00 64.86 66.06 1e0h h ILE 67 Cb 1.30 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 1e0h h ILE 67 CO -0.02 0.16 -0.27 0.58 -1.05 0.00 0.00 178.15 177.55 1e0h h VAL 68 N -0.35 1.11 -0.30 0.16 2.07 -1.52 0.58 116.25 118.00 1e0h h VAL 68 Ca -0.01 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 1e0h h VAL 68 Cb 0.32 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1e0h h VAL 68 CO 0.01 0.27 -0.06 0.78 0.02 0.00 0.00 177.57 178.58 1e0h h ASN 69 N 0.00 0.45 -0.18 0.57 2.35 0.16 0.45 115.58 119.38 1e0h h ASN 69 Ca -0.00 -0.10 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 1e0h h ASN 69 Cb 0.51 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1e0h h ASN 69 CO 0.04 0.57 -0.66 0.74 -1.65 0.00 0.00 177.43 176.46 1e0h h THR 70 N 0.45 1.28 -0.51 2.81 2.02 0.28 -1.26 112.91 118.00 1e0h h THR 70 Ca 0.09 -1.86 0.08 0.00 0.77 0.00 0.00 66.41 65.49 1e0h h THR 70 Cb 0.40 1.81 -0.07 0.00 -1.74 0.00 0.00 68.15 68.55 1e0h h THR 70 CO 0.02 0.60 0.13 0.58 0.37 0.00 0.00 175.52 177.21 1e0h h VAL 71 N 0.59 0.75 0.00 3.16 2.07 -1.26 -1.72 116.25 119.84 1e0h h VAL 71 Ca -0.02 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1e0h h VAL 71 Cb 1.27 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1e0h h VAL 71 CO 0.14 0.05 0.00 1.17 0.02 0.00 0.00 177.57 178.95 1e0h n LYS 72 N -5.08 0.08 0.00 1.57 3.00 0.13 0.77 118.16 118.63 1e0h n LYS 72 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1e0h n LYS 72 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.80 1e0h n LYS 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1e0h n GLN 73 N -0.97 0.00 0.22 1.64 6.02 -0.97 -3.80 117.38 119.52 1e0h n GLN 73 Ca 0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1e0h n GLN 73 Cb 0.01 -0.62 -0.04 0.00 1.02 0.00 0.00 30.24 30.61 1e0h n GLN 73 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 1e0h h TRP 74 N 0.00 -0.52 0.00 1.08 7.01 -0.51 0.23 115.95 123.23 1e0h h TRP 74 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1e0h h TRP 74 Cb 0.98 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1e0h h TRP 74 CO 0.00 -0.32 0.10 0.54 -2.79 0.00 0.00 178.44 175.96 1e0h n ARG 75 N -3.60 0.00 -0.05 2.65 1.74 0.23 -0.21 116.66 117.42 1e0h n ARG 75 Ca -0.07 0.41 -0.01 0.00 -0.77 0.00 0.00 57.85 57.41 1e0h n ARG 75 Cb 0.22 -1.61 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 1e0h n ARG 75 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1e0h n ALA 76 N -1.42 2.04 -0.01 7.54 0.00 -1.11 0.14 120.51 127.70 1e0h n ALA 76 Ca -0.00 -0.87 -0.18 0.00 0.00 0.00 0.00 53.44 52.39 1e0h n ALA 76 Cb 0.10 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 1e0h n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e0h n ALA 77 N -2.45 1.06 0.27 0.00 0.00 0.78 -2.52 120.51 117.66 1e0h n ALA 77 Ca -0.18 -0.66 0.17 0.00 0.00 0.00 0.00 53.44 52.76 1e0h n ALA 77 Cb 0.84 -0.69 0.65 0.00 0.00 0.00 0.00 19.45 20.24 1e0h n ALA 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1e0h h ASN 78 N 0.05 0.00 -1.84 0.00 -0.00 -0.79 -3.47 115.58 109.53 1e0h h ASN 78 Ca -0.40 0.00 -0.37 0.00 -0.00 0.00 0.00 56.30 55.53 1e0h h ASN 78 Cb 2.03 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 40.27 1e0h h ASN 78 CO 0.08 0.02 -0.41 0.61 -0.00 0.00 0.00 177.43 177.73 1e0h n GLY 79 N 0.08 0.59 0.00 1.57 0.00 -1.05 -4.89 105.19 101.49 1e0h n GLY 79 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1e0h n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1e0h n LYS 80 N -2.63 0.00 -3.65 1.61 4.76 0.12 -4.77 118.16 113.61 1e0h n LYS 80 Ca -0.20 0.60 -0.03 0.00 -2.87 0.00 0.00 58.31 55.81 1e0h n LYS 80 Cb 0.64 -0.91 -0.07 0.00 -1.84 0.00 0.00 35.03 32.85 1e0h n LYS 80 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1e0h s SER 81 N -2.94 -0.04 -0.47 4.39 0.01 -1.25 -5.08 113.70 108.32 1e0h s SER 81 Ca 0.00 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.42 1e0h s SER 81 Cb 0.00 0.09 0.39 0.00 0.21 0.00 0.00 66.02 66.71 1e0h s SER 81 CO 0.00 -0.02 0.99 0.61 0.41 0.00 0.00 173.24 175.24 1e0h n GLY 82 N 1.53 5.02 7.00 3.44 0.00 -1.26 -4.87 105.19 116.05 1e0h n GLY 82 Ca -0.10 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.46 1e0h n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1e0h n PHE 83 N -0.26 0.00 -3.77 1.61 3.01 -1.26 -4.81 117.46 111.97 1e0h n PHE 83 Ca 0.31 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.69 1e0h n PHE 83 Cb 0.59 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.04 1e0h n PHE 83 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1e0h s LYS 84 N 0.00 1.63 0.10 -1.08 2.20 -1.21 -4.54 119.74 116.84 1e0h s LYS 84 Ca 0.00 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1e0h s LYS 84 Cb 0.00 0.58 0.00 0.00 -1.51 0.00 0.00 37.83 36.90 1e0h s LYS 84 CO 0.00 -0.74 0.00 1.04 -0.36 0.00 0.00 175.35 175.29 1e0h n GLN 85 N -0.44 0.00 0.00 4.03 6.02 -1.26 -3.45 117.38 122.27 1e0h n GLN 85 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1e0h n GLN 85 Cb 0.60 -0.37 0.00 0.00 1.02 0.00 0.00 30.24 31.49 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46