#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0h n GLU 2 N 0.00 -1.50 -3.48 2.12 0.00 -1.26 -5.12 120.64 111.40 1e0h n GLU 2 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 57.16 56.61 1e0h n GLU 2 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 31.44 29.36 1e0h n GLU 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1e0h s LEU 3 N -4.55 -0.60 0.21 -1.84 1.43 -1.26 -4.99 118.68 107.08 1e0h s LEU 3 Ca 0.63 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1e0h s LEU 3 Cb -0.21 2.53 -0.04 0.00 0.03 0.00 0.00 46.19 48.51 1e0h s LEU 3 CO 0.64 -0.76 0.18 -0.54 0.23 0.00 0.00 176.35 176.10 1e0h s LYS 4 N -2.39 1.27 0.43 1.70 3.01 -1.26 -5.03 119.74 117.48 1e0h s LYS 4 Ca -0.05 -1.61 0.23 0.00 -1.01 0.00 0.00 55.97 53.54 1e0h s LYS 4 Cb -0.00 0.30 0.52 0.00 -1.01 0.00 0.00 37.83 37.64 1e0h s LYS 4 CO -0.01 -0.44 1.66 0.45 0.51 0.00 0.00 175.35 177.53 1e0h h HIS 5 N 2.55 0.00 -3.99 3.18 3.86 -2.01 -3.47 115.15 115.28 1e0h h HIS 5 Ca -0.34 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.55 1e0h h HIS 5 Cb 1.25 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.57 1e0h h HIS 5 CO 0.43 0.12 -0.62 -1.12 0.86 0.00 0.00 177.93 177.60 1e0h s SER 6 N -6.17 0.92 0.00 2.45 0.01 -1.26 -4.99 113.70 104.66 1e0h s SER 6 Ca 0.05 -1.37 0.26 0.00 1.31 0.00 0.00 55.95 56.20 1e0h s SER 6 Cb 0.07 0.22 1.31 0.00 0.21 0.00 0.00 66.02 67.82 1e0h s SER 6 CO 0.66 -0.75 1.86 0.00 0.41 0.00 0.00 173.24 175.42 1e0h n ILE 7 N -0.39 0.17 0.00 1.44 0.13 -1.26 -4.13 119.36 115.31 1e0h n ILE 7 Ca -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.69 1e0h n ILE 7 Cb 0.66 -0.62 0.00 0.00 -0.84 0.00 0.00 39.64 38.84 1e0h n ILE 7 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1e0h n SER 8 N -1.26 0.04 0.09 9.51 2.88 -1.25 -3.96 113.62 119.66 1e0h n SER 8 Ca 0.13 -0.33 0.11 0.00 -1.33 0.00 0.00 58.87 57.45 1e0h n SER 8 Cb 0.19 0.67 0.45 0.00 -0.75 0.00 0.00 64.21 64.78 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 -0.68 0.50 -4.46 -3.46 8.00 -1.26 -3.88 116.55 111.31 1e0h n ASP 9 Ca 0.00 0.60 -0.23 0.00 0.71 0.00 0.00 54.79 55.87 1e0h n ASP 9 Cb 0.00 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.29 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 -3.18 2.18 0.63 1.24 -0.85 -1.25 -4.88 117.35 111.24 1e0h s TYR 10 Ca 0.07 -0.44 -0.00 0.00 -0.52 0.00 0.00 57.07 56.17 1e0h s TYR 10 Cb 0.11 -1.05 0.13 0.00 0.38 0.00 0.00 41.96 41.52 1e0h s TYR 10 CO 0.42 0.59 0.86 0.25 -1.52 0.00 0.00 175.55 176.15 1e0h n THR 11 N -0.61 0.00 0.85 -3.49 -2.24 -1.26 -1.36 114.28 106.16 1e0h n THR 11 Ca -0.06 -1.35 0.13 0.00 -2.27 0.00 0.00 64.05 60.51 1e0h n THR 11 Cb 0.61 -0.97 0.46 0.00 -2.10 0.00 0.00 70.33 68.34 1e0h n THR 11 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1e0h n GLU 12 N -2.60 0.11 0.09 -0.78 1.02 -1.26 -1.17 120.64 116.04 1e0h n GLU 12 Ca 0.14 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 57.14 1e0h n GLU 12 Cb 0.51 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 1e0h n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1e0h h ALA 13 N 2.81 -0.08 -0.33 0.62 0.00 -1.94 -1.79 119.26 118.55 1e0h h ALA 13 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 54.91 54.21 1e0h h ALA 13 Cb 0.60 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1e0h h ALA 13 CO 0.00 0.54 -0.47 0.93 0.00 0.00 0.00 179.25 180.26 1e0h h GLU 14 N -0.03 -0.38 0.00 0.00 5.08 -1.92 0.10 114.58 117.42 1e0h h GLU 14 Ca -0.18 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1e0h h GLU 14 Cb 1.85 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1e0h h GLU 14 CO 0.21 -0.26 -0.34 0.35 -1.00 0.00 0.00 179.01 177.97 1e0h h PHE 15 N -0.40 0.00 -0.29 4.33 3.57 -1.27 -0.65 116.94 122.24 1e0h h PHE 15 Ca 0.10 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1e0h h PHE 15 Cb 0.61 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1e0h h PHE 15 CO -0.62 0.34 -0.08 1.25 -2.23 0.00 0.00 178.31 176.97 1e0h h LEU 16 N 0.00 0.57 -1.49 0.59 5.85 -0.92 -0.76 115.31 119.15 1e0h h LEU 16 Ca -0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1e0h h LEU 16 Cb 1.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1e0h h LEU 16 CO 0.04 0.81 0.32 -0.61 -0.34 0.00 0.00 178.44 178.67 1e0h h GLN 17 N 0.32 0.66 -0.25 1.25 4.15 -0.64 0.97 115.11 121.57 1e0h h GLN 17 Ca 0.07 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1e0h h GLN 17 Cb 0.57 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1e0h h GLN 17 CO 0.03 0.45 -0.13 1.25 -1.93 0.00 0.00 178.83 178.50 1e0h h LEU 18 N 0.68 0.56 -1.74 -2.39 6.46 -0.74 0.37 115.31 118.51 1e0h h LEU 18 Ca 0.18 -0.41 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1e0h h LEU 18 Cb -0.06 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1e0h h LEU 18 CO -0.04 0.85 0.19 0.58 -0.62 0.00 0.00 178.44 179.40 1e0h h VAL 19 N 0.27 1.06 0.00 1.05 2.07 -0.30 -0.51 116.25 119.88 1e0h h VAL 19 Ca 0.06 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1e0h h VAL 19 Cb 0.64 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1e0h h VAL 19 CO 0.04 0.07 -0.07 1.07 0.02 0.00 0.00 177.57 178.70 1e0h n THR 20 N -4.50 0.54 0.18 2.57 5.66 0.26 -0.88 114.28 118.12 1e0h n THR 20 Ca 0.01 -0.27 0.06 0.00 -3.05 0.00 0.00 64.05 60.80 1e0h n THR 20 Cb 0.08 -0.53 0.28 0.00 -1.55 0.00 0.00 70.33 68.61 1e0h n THR 20 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1e0h h THR 21 N 0.00 0.75 0.00 1.09 2.02 0.13 0.11 112.91 117.02 1e0h h THR 21 Ca 0.00 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 1e0h h THR 21 Cb 0.73 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1e0h h THR 21 CO 0.00 0.35 -0.11 0.40 0.37 0.00 0.00 175.52 176.53 1e0h h ILE 22 N 0.00 0.94 0.00 3.11 2.04 -0.92 0.45 117.51 123.13 1e0h h ILE 22 Ca -0.00 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.12 1e0h h ILE 22 Cb 1.00 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1e0h h ILE 22 CO 0.05 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.52 1e0h n ASN 24 N -0.96 0.14 -2.50 0.00 5.15 0.38 -4.98 115.26 112.50 1e0h n ASN 24 Ca 0.03 -0.56 -0.15 0.00 -0.60 0.00 0.00 54.58 53.30 1e0h n ASN 24 Cb 0.01 0.82 -0.01 0.00 -0.53 0.00 0.00 39.78 40.08 1e0h n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1e0h n ALA 25 N -0.82 -0.77 -0.41 5.20 0.00 0.15 -4.81 120.51 119.04 1e0h n ALA 25 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 1e0h n ALA 25 Cb 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.89 2.92 -2.99 0.00 2.03 -0.87 -4.58 116.55 111.17 1e0h n ASP 26 Ca -0.16 -1.91 -0.15 0.00 0.52 0.00 0.00 54.79 53.09 1e0h n ASP 26 Cb 0.62 -0.70 -0.04 0.00 -0.72 0.00 0.00 41.12 40.28 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 2.23 0.00 -0.20 5.18 -2.24 -1.26 -4.31 114.28 113.68 1e0h n THR 27 Ca 0.12 -1.25 0.11 0.00 -2.27 0.00 0.00 64.05 60.75 1e0h n THR 27 Cb 0.39 0.38 0.41 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.78 0.57 0.00 3.42 4.64 -1.93 -3.46 113.55 117.57 1e0h h SER 28 Ca -0.19 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1e0h h SER 28 Cb 0.65 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1e0h h SER 28 CO 0.30 0.33 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1e0h n SER 29 N -4.51 0.00 0.00 4.97 3.41 -1.26 -4.97 113.62 111.27 1e0h n SER 29 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1e0h n SER 29 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1e0h n GLU 30 N 0.00 0.00 0.02 4.33 2.13 -1.26 -4.67 120.64 121.19 1e0h n GLU 30 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1e0h n GLU 30 Cb 0.00 -1.61 -0.00 0.00 0.27 0.00 0.00 31.44 30.09 1e0h n GLU 30 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1e0h n GLU 31 N -2.00 0.08 0.07 5.31 0.00 -1.26 -3.64 120.64 119.20 1e0h n GLU 31 Ca 0.00 0.03 0.20 0.00 0.00 0.00 0.00 57.16 57.39 1e0h n GLU 31 Cb 0.00 -0.59 0.60 0.00 0.00 0.00 0.00 31.44 31.44 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 -0.15 0.00 0.34 5.31 3.07 -1.95 0.19 114.58 121.38 1e0h h GLU 32 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1e0h h GLU 32 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1e0h h GLU 32 CO 0.00 0.00 -0.16 -0.07 -1.40 0.00 0.00 179.01 177.38 1e0h h LEU 33 N 0.00 -0.39 -2.13 1.33 3.38 -1.92 0.55 115.31 116.14 1e0h h LEU 33 Ca 0.23 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1e0h h LEU 33 Cb 1.63 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1e0h h LEU 33 CO -0.00 -0.02 0.21 0.58 0.09 0.00 0.00 178.44 179.30 1e0h h VAL 34 N -0.81 0.65 0.19 1.22 2.07 -1.16 0.20 116.25 118.60 1e0h h VAL 34 Ca -0.05 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.15 1e0h h VAL 34 Cb 0.52 0.85 0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1e0h h VAL 34 CO 0.08 0.00 -1.54 0.50 0.02 0.00 0.00 177.57 176.62 1e0h h LYS 35 N 0.00 0.40 -0.31 1.57 3.64 -0.44 0.21 116.57 121.63 1e0h h LYS 35 Ca 0.11 -0.68 -0.09 0.00 -1.27 0.00 0.00 60.65 58.73 1e0h h LYS 35 Cb 0.52 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1e0h h LYS 35 CO -0.00 1.32 -0.18 -0.07 -2.27 0.00 0.00 179.45 178.25 1e0h h LEU 36 N -0.01 0.55 0.31 5.20 -0.00 0.44 0.28 115.31 122.09 1e0h h LEU 36 Ca -0.30 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 1e0h h LEU 36 Cb 2.01 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.53 1e0h h LEU 36 CO 0.18 0.75 -0.15 0.58 -0.00 0.00 0.00 178.44 179.80 1e0h h VAL 37 N 0.51 0.71 -0.09 1.22 2.07 -0.57 -0.09 116.25 120.00 1e0h h VAL 37 Ca 0.08 -0.07 -0.18 0.00 0.82 0.00 0.00 66.70 67.36 1e0h h VAL 37 Cb 0.60 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1e0h h VAL 37 CO 0.04 0.01 -0.69 0.74 0.02 0.00 0.00 177.57 177.69 1e0h h THR 38 N -0.45 1.37 -0.68 2.57 2.02 -0.70 0.48 112.91 117.53 1e0h h THR 38 Ca -0.04 -2.07 0.06 0.00 0.77 0.00 0.00 66.41 65.13 1e0h h THR 38 Cb 0.34 2.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 1e0h h THR 38 CO 0.07 0.63 0.37 -0.74 0.37 0.00 0.00 175.52 176.22 1e0h h HIS 39 N 0.29 0.68 0.29 3.16 6.17 -0.47 -1.39 115.15 123.89 1e0h h HIS 39 Ca -0.02 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 1e0h h HIS 39 Cb 1.26 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.98 1e0h h HIS 39 CO 0.04 0.32 -0.14 0.35 0.71 0.00 0.00 177.93 179.21 1e0h h PHE 40 N 0.68 -0.37 -0.96 5.26 3.04 0.93 -0.05 116.94 125.48 1e0h h PHE 40 Ca 0.31 -0.01 0.30 0.00 3.98 0.00 0.00 57.97 62.55 1e0h h PHE 40 Cb 0.21 0.12 -0.16 0.00 2.56 0.00 0.00 35.95 38.68 1e0h h PHE 40 CO -0.08 -0.20 0.34 0.93 -2.02 0.00 0.00 178.31 177.28 1e0h h GLU 41 N -0.44 0.15 0.38 1.11 5.08 -0.84 -1.74 114.58 118.29 1e0h h GLU 41 Ca -0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1e0h h GLU 41 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1e0h h GLU 41 CO 0.07 0.10 -0.18 1.49 -1.00 0.00 0.00 179.01 179.48 1e0h h GLU 42 N 0.15 -0.49 0.75 2.33 4.22 -0.86 -3.42 114.58 117.27 1e0h h GLU 42 Ca 0.67 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 60.11 1e0h h GLU 42 Cb 1.50 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1e0h h GLU 42 CO -0.72 -0.33 -0.50 0.52 -2.18 0.00 0.00 179.01 175.81 1e0h h MET 43 N -0.80 -1.13 0.00 1.92 2.86 -0.11 -3.00 114.93 114.67 1e0h h MET 43 Ca -0.05 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1e0h h MET 43 Cb 0.39 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1e0h h MET 43 CO 0.09 -0.76 0.00 -2.37 1.06 0.00 0.00 176.91 174.93 1e0h n THR 44 N -5.57 0.16 -1.76 2.22 5.66 -1.01 -4.52 114.28 109.45 1e0h n THR 44 Ca -0.14 0.04 -0.18 0.00 -3.05 0.00 0.00 64.05 60.72 1e0h n THR 44 Cb 0.50 -0.71 -0.06 0.00 -1.55 0.00 0.00 70.33 68.51 1e0h n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1e0h n GLU 45 N -1.12 -1.52 -3.24 1.09 1.02 -1.13 -4.90 120.64 110.83 1e0h n GLU 45 Ca 0.13 1.01 -0.38 0.00 -0.02 0.00 0.00 57.16 57.90 1e0h n GLU 45 Cb 0.11 -5.42 -0.06 0.00 -0.02 0.00 0.00 31.44 26.05 1e0h n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1e0h s HIS 46 N -2.62 3.80 0.10 -0.32 2.46 -1.26 -4.98 115.29 112.47 1e0h s HIS 46 Ca 0.00 1.31 -0.06 0.00 0.47 0.00 0.00 55.06 56.78 1e0h s HIS 46 Cb 0.00 -2.53 0.13 0.00 -0.13 0.00 0.00 32.58 30.05 1e0h s HIS 46 CO 0.00 0.56 0.62 -2.30 -2.47 0.00 0.00 174.74 171.15 1e0h n PRO 47 N 1.60 -0.07 -2.45 2.88 -0.02 -1.26 -3.25 135.00 132.42 1e0h n PRO 47 Ca -0.09 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 1e0h n PRO 47 Cb 0.51 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1e0h n PRO 47 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1e0h n SER 48 N -4.61 5.55 0.00 2.55 7.64 -1.26 -4.93 113.62 118.56 1e0h n SER 48 Ca 0.05 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.19 1e0h n SER 48 Cb 0.17 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.41 -2.25 2.60 0.23 0.00 -1.20 -0.63 105.19 103.52 1e0h n GLY 49 Ca 0.42 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 1e0h n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1e0h n SER 50 N -0.46 7.51 0.07 1.61 2.88 -1.26 -3.79 113.62 120.18 1e0h n SER 50 Ca 0.00 -3.38 0.00 0.00 -1.33 0.00 0.00 58.87 54.16 1e0h n SER 50 Cb 0.00 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 1e0h n SER 50 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1e0h n ASP 51 N 1.08 0.13 -0.26 -3.46 2.03 -1.08 -4.87 116.55 110.12 1e0h n ASP 51 Ca 0.53 0.22 0.03 0.00 0.52 0.00 0.00 54.79 56.09 1e0h n ASP 51 Cb 0.26 0.11 0.16 0.00 -0.72 0.00 0.00 41.12 40.93 1e0h n ASP 51 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1e0h h LEU 52 N 0.00 0.43 0.00 -2.67 3.38 -0.97 0.19 115.31 115.67 1e0h h LEU 52 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1e0h h LEU 52 Cb 0.14 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1e0h h LEU 52 CO 0.00 0.22 0.00 -0.38 0.09 0.00 0.00 178.44 178.37 1e0h n ILE 53 N -4.90 0.05 0.00 1.22 2.08 -1.26 -3.83 119.36 112.72 1e0h n ILE 53 Ca 0.13 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.45 1e0h n ILE 53 Cb 0.34 -0.89 0.00 0.00 -0.75 0.00 0.00 39.64 38.33 1e0h n ILE 53 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1e0h n TYR 54 N -1.02 0.00 0.10 1.39 0.18 -1.17 -5.05 117.16 111.60 1e0h n TYR 54 Ca 0.06 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.64 1e0h n TYR 54 Cb 0.03 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.84 1e0h n TYR 54 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1e0h h TYR 55 N 0.00 0.67 -2.03 -3.48 3.20 -1.05 -3.45 116.97 110.83 1e0h h TYR 55 Ca 0.00 -0.49 -0.27 0.00 3.14 0.00 0.00 58.73 61.11 1e0h h TYR 55 Cb 0.00 -0.03 0.15 0.00 1.54 0.00 0.00 36.73 38.39 1e0h h TYR 55 CO 0.00 1.47 -0.45 -0.35 -1.64 0.00 0.00 178.16 177.18 1e0h n PRO 56 N -3.58 -2.24 0.00 1.82 -0.04 -1.25 -4.84 135.00 124.87 1e0h n PRO 56 Ca -0.16 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1e0h n PRO 56 Cb 1.06 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.89 0.00 0.00 0.54 4.81 -1.24 -4.76 118.16 115.61 1e0h n LYS 57 Ca 0.05 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.55 1e0h n LYS 57 Cb 0.41 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.41 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 2.96 -0.23 1.64 4.07 -1.26 -3.95 120.64 123.87 1e0h n GLU 58 Ca 0.00 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1e0h n GLU 58 Cb 0.00 -1.07 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 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 1.22 -0.05 3.18 8.31 0.00 -1.26 -5.14 105.19 111.46 1e0h n GLY 59 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.20 0.94 -0.82 1.61 2.15 -1.25 -5.10 116.67 114.00 1e0h s ASP 60 Ca 0.00 -1.10 -0.03 0.00 0.43 0.00 0.00 52.55 51.84 1e0h s ASP 60 Cb 0.00 0.15 0.20 0.00 -0.30 0.00 0.00 42.92 42.98 1e0h s ASP 60 CO 0.00 -0.57 0.69 -0.62 -0.17 0.00 0.00 175.17 174.50 1e0h s ASP 61 N -3.08 5.87 0.00 -0.34 2.15 -1.26 -3.64 116.67 116.37 1e0h s ASP 61 Ca 0.18 -3.37 0.10 0.00 0.43 0.00 0.00 52.55 49.88 1e0h s ASP 61 Cb 0.06 -1.93 0.30 0.00 -0.30 0.00 0.00 42.92 41.06 1e0h s ASP 61 CO -0.01 -0.27 1.24 -0.90 -0.17 0.00 0.00 175.17 175.06 1e0h n ASP 62 N 2.83 1.53 -4.51 -0.34 5.75 -1.26 -1.84 116.55 118.70 1e0h n ASP 62 Ca 0.17 -1.97 -0.35 0.00 -0.01 0.00 0.00 54.79 52.63 1e0h n ASP 62 Cb 0.38 -0.18 0.10 0.00 -1.03 0.00 0.00 41.12 40.39 1e0h n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1e0h n SER 63 N 0.33 -0.85 0.16 -1.12 7.64 -1.26 -4.28 113.62 114.24 1e0h n SER 63 Ca 0.10 0.52 0.07 0.00 1.01 0.00 0.00 58.87 60.57 1e0h n SER 63 Cb 0.25 -1.29 0.37 0.00 -1.01 0.00 0.00 64.21 62.53 1e0h n SER 63 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1e0h n PRO 64 N -1.66 0.09 -0.09 1.43 -0.02 -1.26 -0.84 135.00 132.64 1e0h n PRO 64 Ca 0.10 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1e0h n PRO 64 Cb 0.51 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1e0h n PRO 64 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1e0h n SER 65 N -2.06 1.94 -0.29 2.55 3.41 -1.26 -4.41 113.62 113.50 1e0h n SER 65 Ca -0.01 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 1e0h n SER 65 Cb 0.29 -0.76 0.27 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.00 1.29 1.00 5.00 0.00 -1.21 0.65 103.07 108.80 1e0h h GLY 66 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1e0h h GLY 66 CO -0.05 -0.34 0.32 0.16 0.00 0.00 0.00 176.54 176.63 1e0h h ILE 67 N 0.21 1.12 0.00 2.60 3.07 -0.22 0.85 117.51 125.14 1e0h h ILE 67 Ca 0.53 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.71 1e0h h ILE 67 Cb 1.04 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 1e0h h ILE 67 CO -0.64 0.12 0.00 0.58 -1.05 0.00 0.00 178.15 177.16 1e0h h VAL 68 N 0.66 0.00 -0.07 0.16 2.07 -1.39 -1.74 116.25 115.94 1e0h h VAL 68 Ca 0.18 -0.52 -0.23 0.00 0.82 0.00 0.00 66.70 66.95 1e0h h VAL 68 Cb -0.08 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1e0h h VAL 68 CO -0.04 0.00 -0.87 -1.13 0.02 0.00 0.00 177.57 175.55 1e0h h ASN 69 N 0.00 0.75 0.20 0.57 -0.73 0.26 -2.37 115.58 114.26 1e0h h ASN 69 Ca 0.00 -0.54 -0.13 0.00 1.87 0.00 0.00 56.30 57.50 1e0h h ASN 69 Cb 0.58 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1e0h h ASN 69 CO 0.00 1.33 -0.49 0.74 -0.37 0.00 0.00 177.43 178.64 1e0h h THR 70 N 0.38 1.33 0.04 -3.57 2.02 0.15 0.30 112.91 113.57 1e0h h THR 70 Ca -0.07 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.41 1e0h h THR 70 Cb 1.49 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 1e0h h THR 70 CO 0.16 0.52 -0.15 0.58 0.37 0.00 0.00 175.52 177.01 1e0h h VAL 71 N 0.27 0.65 0.00 3.16 2.07 -1.57 0.21 116.25 121.04 1e0h h VAL 71 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1e0h h VAL 71 Cb 0.96 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1e0h h VAL 71 CO 0.08 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.96 1e0h n LYS 72 N -5.27 0.00 -0.01 1.57 4.01 0.10 0.67 118.16 119.23 1e0h n LYS 72 Ca -0.06 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.72 1e0h n LYS 72 Cb 0.19 -1.36 -0.01 0.00 -0.51 0.00 0.00 35.03 33.35 1e0h n LYS 72 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1e0h n GLN 73 N -0.83 0.04 0.14 1.97 6.02 -0.84 -3.97 117.38 119.92 1e0h n GLN 73 Ca 0.00 0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 1e0h n GLN 73 Cb 0.00 -0.73 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 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 -0.04 -0.33 0.00 1.08 7.01 0.10 0.29 115.95 124.06 1e0h h TRP 74 Ca -0.04 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1e0h h TRP 74 Cb 1.05 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 1e0h h TRP 74 CO -0.00 -0.21 0.02 0.54 -2.79 0.00 0.00 178.44 176.01 1e0h n ARG 75 N -3.12 0.00 -0.01 2.65 1.74 0.21 -0.37 116.66 117.76 1e0h n ARG 75 Ca -0.04 0.09 0.01 0.00 -0.77 0.00 0.00 57.85 57.14 1e0h n ARG 75 Cb 0.14 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.01 2.13 -0.01 7.54 0.00 -1.08 0.03 120.51 128.10 1e0h n ALA 76 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 1e0h n ALA 76 Cb 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 1e0h n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1e0h h ALA 77 N 0.61 0.31 0.00 0.00 0.00 0.76 -2.87 119.26 118.06 1e0h h ALA 77 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1e0h h ALA 77 Cb 0.74 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1e0h h ALA 77 CO 0.00 1.04 0.00 -1.71 0.00 0.00 0.00 179.25 178.58 1e0h n ASN 78 N -3.79 0.00 -0.10 0.00 2.85 0.50 -4.90 115.26 109.82 1e0h n ASN 78 Ca -0.29 -0.11 -0.01 0.00 -0.11 0.00 0.00 54.58 54.05 1e0h n ASN 78 Cb 0.94 -0.24 -0.01 0.00 1.24 0.00 0.00 39.78 41.72 1e0h n ASN 78 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1e0h n GLY 79 N 0.42 0.46 0.33 8.20 0.00 -1.08 -4.88 105.19 108.64 1e0h n GLY 79 Ca 0.11 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1e0h n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e0h h LYS 80 N 0.56 0.03 0.00 1.61 1.57 -0.66 -3.46 116.57 116.22 1e0h h LYS 80 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1e0h h LYS 80 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1e0h h LYS 80 CO 0.04 0.02 0.00 0.43 -0.57 0.00 0.00 179.45 179.37 1e0h n SER 81 N -5.48 0.00 -0.31 0.86 7.64 -1.05 -4.87 113.62 110.41 1e0h n SER 81 Ca 0.20 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.05 1e0h n SER 81 Cb 0.66 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1e0h n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1e0h n GLY 82 N 0.00 0.48 3.29 0.23 0.00 -1.26 -4.97 105.19 102.96 1e0h n GLY 82 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.34 0.72 -1.23 1.61 3.72 -1.26 -3.84 117.46 113.85 1e0h n PHE 83 Ca -0.04 -2.21 -0.17 0.00 -0.05 0.00 0.00 57.45 54.98 1e0h n PHE 83 Cb 0.28 -0.32 0.13 0.00 -0.94 0.00 0.00 39.48 38.62 1e0h n PHE 83 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1e0h n LYS 84 N -1.23 -1.34 0.11 -1.08 4.81 -0.47 -4.97 118.16 113.99 1e0h n LYS 84 Ca -0.16 -1.09 0.00 0.00 -0.87 0.00 0.00 58.31 56.20 1e0h n LYS 84 Cb 0.57 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.79 1e0h n LYS 84 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1e0h n GLN 85 N -2.91 0.00 0.00 1.64 6.02 -1.26 -4.23 117.38 116.64 1e0h n GLN 85 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.09 1e0h n GLN 85 Cb 0.33 -0.07 0.01 0.00 1.02 0.00 0.00 30.24 31.53 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46