#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e0h h GLU 2 N 0.00 0.65 0.00 3.17 3.07 -2.03 -3.47 114.58 115.96 1e0h h GLU 2 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1e0h h GLU 2 Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1e0h h GLU 2 CO 0.00 0.43 0.00 1.28 -1.40 0.00 0.00 179.01 179.32 1e0h n LEU 3 N -4.69 0.00 0.00 1.33 4.77 -1.26 -5.15 117.00 112.00 1e0h n LEU 3 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1e0h n LEU 3 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1e0h n LEU 3 CO 0.24 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.59 1e0h n LYS 4 N 0.00 -3.28 -0.01 3.23 4.01 -1.26 -4.82 118.16 116.03 1e0h n LYS 4 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.86 1e0h n LYS 4 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 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 1.17 0.18 -3.64 2.13 8.25 -1.26 -5.00 115.22 117.05 1e0h n HIS 5 Ca 0.00 0.06 -0.15 0.00 -0.26 0.00 0.00 57.72 57.36 1e0h n HIS 5 Cb 0.00 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 30.34 1e0h n HIS 5 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1e0h s SER 6 N -4.90 -0.48 0.00 0.41 1.04 -1.26 -5.03 113.70 103.49 1e0h s SER 6 Ca -0.07 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1e0h s SER 6 Cb 0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1e0h s SER 6 CO 0.87 -0.45 0.27 0.00 0.98 0.00 0.00 173.24 174.91 1e0h n ILE 7 N 1.48 0.26 0.00 -1.02 3.06 -1.26 -1.40 119.36 120.48 1e0h n ILE 7 Ca -0.19 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.06 1e0h n ILE 7 Cb 0.56 -0.60 0.00 0.00 0.54 0.00 0.00 39.64 40.15 1e0h n ILE 7 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1e0h n SER 8 N 0.81 0.00 -0.03 9.51 2.88 -1.26 -2.16 113.62 123.37 1e0h n SER 8 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1e0h n SER 8 Cb 0.14 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.33 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 -0.58 0.14 -4.43 -3.46 8.00 -0.49 -4.44 116.55 111.29 1e0h n ASP 9 Ca 0.00 -0.36 -0.21 0.00 0.71 0.00 0.00 54.79 54.93 1e0h n ASP 9 Cb 0.00 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 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 -2.49 1.93 0.43 1.24 1.13 -1.22 -5.03 117.35 113.34 1e0h s TYR 10 Ca 0.31 -0.88 0.08 0.00 -1.41 0.00 0.00 57.07 55.16 1e0h s TYR 10 Cb 0.20 -1.21 0.01 0.00 -1.10 0.00 0.00 41.96 39.86 1e0h s TYR 10 CO 0.46 0.08 0.55 0.95 -2.51 0.00 0.00 175.55 175.08 1e0h s THR 11 N -3.23 2.87 -0.14 -3.49 -4.23 -1.26 -3.30 115.64 102.86 1e0h s THR 11 Ca 0.34 -1.06 0.16 0.00 -1.18 0.00 0.00 61.69 59.94 1e0h s THR 11 Cb 0.07 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 1e0h s THR 11 CO 0.14 0.00 1.19 -0.08 -0.54 0.00 0.00 174.62 175.33 1e0h h GLU 12 N 0.67 0.00 -0.05 3.99 4.81 -1.78 0.10 114.58 122.32 1e0h h GLU 12 Ca -0.39 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.65 1e0h h GLU 12 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1e0h h GLU 12 CO 0.47 0.42 -0.75 0.00 -0.73 0.00 0.00 179.01 178.42 1e0h h ALA 13 N 1.47 0.62 -0.39 2.92 0.00 -1.91 -1.17 119.26 120.81 1e0h h ALA 13 Ca -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1e0h h ALA 13 Cb 1.46 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1e0h h ALA 13 CO 0.06 0.79 0.12 1.49 0.00 0.00 0.00 179.25 181.71 1e0h h GLU 14 N 0.21 0.26 -0.46 0.00 4.22 -1.84 0.12 114.58 117.10 1e0h h GLU 14 Ca -0.03 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.29 1e0h h GLU 14 Cb 1.32 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1e0h h GLU 14 CO 0.12 0.17 -0.13 0.35 -2.18 0.00 0.00 179.01 177.35 1e0h h PHE 15 N 0.27 0.94 -0.45 0.92 3.57 -0.87 0.24 116.94 121.55 1e0h h PHE 15 Ca 0.18 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1e0h h PHE 15 Cb 0.17 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1e0h h PHE 15 CO -0.16 0.92 -0.15 1.25 -2.23 0.00 0.00 178.31 177.93 1e0h h LEU 16 N 0.76 0.85 -0.94 0.59 5.85 -0.72 0.79 115.31 122.48 1e0h h LEU 16 Ca 0.12 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1e0h h LEU 16 Cb 0.63 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1e0h h LEU 16 CO 0.04 1.00 -0.31 -0.61 -0.34 0.00 0.00 178.44 178.22 1e0h h GLN 17 N 0.75 0.40 -0.17 1.25 4.15 -0.53 -0.44 115.11 120.53 1e0h h GLN 17 Ca 0.12 -0.16 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 1e0h h GLN 17 Cb 0.67 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 1e0h h GLN 17 CO 0.05 0.67 -0.25 1.25 -1.93 0.00 0.00 178.83 178.62 1e0h h LEU 18 N 0.35 0.51 -1.40 -2.39 5.85 0.44 0.13 115.31 118.79 1e0h h LEU 18 Ca 0.05 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1e0h h LEU 18 Cb 0.72 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1e0h h LEU 18 CO 0.06 0.94 0.42 0.58 -0.34 0.00 0.00 178.44 180.09 1e0h h VAL 19 N 0.10 1.12 0.00 1.05 2.07 -0.75 -0.49 116.25 119.35 1e0h h VAL 19 Ca 0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1e0h h VAL 19 Cb 0.82 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1e0h h VAL 19 CO 0.06 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1e0h h THR 20 N 0.80 0.00 0.00 2.57 1.03 -0.26 0.19 112.91 117.25 1e0h h THR 20 Ca 0.25 -0.69 -0.12 0.00 -0.01 0.00 0.00 66.41 65.83 1e0h h THR 20 Cb 0.01 1.67 -0.02 0.00 -1.07 0.00 0.00 68.15 68.74 1e0h h THR 20 CO -0.06 0.00 -0.57 0.74 -0.01 0.00 0.00 175.52 175.62 1e0h h THR 21 N 0.00 1.40 0.00 0.00 2.02 0.89 -0.02 112.91 117.21 1e0h h THR 21 Ca 0.00 -1.95 -0.09 0.00 0.77 0.00 0.00 66.41 65.14 1e0h h THR 21 Cb 0.74 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1e0h h THR 21 CO 0.00 0.56 -0.48 0.40 0.37 0.00 0.00 175.52 176.37 1e0h h ILE 22 N 0.00 1.41 0.00 3.11 2.04 -0.87 0.44 117.51 123.64 1e0h h ILE 22 Ca -0.01 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1e0h h ILE 22 Cb 1.01 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1e0h h ILE 22 CO 0.07 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1e0h n ASN 24 N -1.39 1.16 -3.98 0.00 5.15 -0.02 -5.00 115.26 111.18 1e0h n ASN 24 Ca 0.01 -0.31 -0.32 0.00 -0.60 0.00 0.00 54.58 53.36 1e0h n ASN 24 Cb 0.04 1.45 0.01 0.00 -0.53 0.00 0.00 39.78 40.75 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 -1.79 -1.25 0.62 5.20 0.00 0.15 -4.84 120.51 118.60 1e0h n ALA 25 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1e0h n ALA 25 Cb 0.35 -4.14 0.00 0.00 0.00 0.00 0.00 19.45 15.65 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 -2.75 0.01 -2.24 0.00 2.03 -0.69 -4.69 116.55 108.23 1e0h n ASP 26 Ca 0.05 -0.63 -0.02 0.00 0.52 0.00 0.00 54.79 54.71 1e0h n ASP 26 Cb 0.51 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.47 0.00 -0.33 5.18 -2.24 -1.26 -5.00 114.28 110.16 1e0h n THR 27 Ca 0.00 -0.19 0.31 0.00 -2.27 0.00 0.00 64.05 61.90 1e0h n THR 27 Cb 0.00 -0.43 0.66 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.06 0.17 0.00 3.42 4.64 -1.94 -3.45 113.55 116.45 1e0h h SER 28 Ca -0.03 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1e0h h SER 28 Cb 0.11 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1e0h h SER 28 CO 0.05 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 174.49 1e0h n SER 29 N -4.36 0.00 0.00 4.97 3.41 -1.26 -4.90 113.62 111.48 1e0h n SER 29 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1e0h n SER 29 Cb 1.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1e0h n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1e0h n GLU 30 N 0.00 0.00 0.00 4.33 1.02 -1.26 -4.90 120.64 119.83 1e0h n GLU 30 Ca 0.00 -0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1e0h n GLU 30 Cb 0.00 -0.20 -0.01 0.00 -0.02 0.00 0.00 31.44 31.22 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 0.00 0.09 -0.33 3.49 0.00 -1.26 -2.90 120.64 119.73 1e0h n GLU 31 Ca 0.00 0.04 0.28 0.00 0.00 0.00 0.00 57.16 57.48 1e0h n GLU 31 Cb 0.29 -0.49 0.60 0.00 0.00 0.00 0.00 31.44 31.84 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 -0.17 0.23 0.94 5.31 5.08 -1.95 0.20 114.58 124.23 1e0h h GLU 32 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1e0h h GLU 32 Cb 0.17 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1e0h h GLU 32 CO 0.00 0.15 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.61 1e0h h LEU 33 N 0.24 -1.17 -2.01 1.33 3.38 -1.91 0.95 115.31 116.11 1e0h h LEU 33 Ca 0.60 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.74 1e0h h LEU 33 Cb 1.85 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 42.89 1e0h h LEU 33 CO -0.21 -0.80 0.29 0.58 0.09 0.00 0.00 178.44 178.39 1e0h h VAL 34 N -1.30 0.77 0.19 1.22 2.07 -1.15 0.27 116.25 118.32 1e0h h VAL 34 Ca -0.13 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.09 1e0h h VAL 34 Cb 1.01 0.80 0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1e0h h VAL 34 CO 0.19 0.00 -1.30 0.50 0.02 0.00 0.00 177.57 176.98 1e0h h LYS 35 N 0.00 0.55 -0.03 1.57 3.64 -0.15 -1.26 116.57 120.89 1e0h h LYS 35 Ca 0.19 -0.84 -0.15 0.00 -1.27 0.00 0.00 60.65 58.57 1e0h h LYS 35 Cb 0.76 0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1e0h h LYS 35 CO -0.00 1.39 -0.68 -0.07 -2.27 0.00 0.00 179.45 177.82 1e0h h LEU 36 N 0.13 0.15 0.33 5.20 3.38 0.16 0.36 115.31 125.01 1e0h h LEU 36 Ca -0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1e0h h LEU 36 Cb 2.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1e0h h LEU 36 CO 0.25 0.78 -0.23 0.58 0.09 0.00 0.00 178.44 179.91 1e0h h VAL 37 N 0.08 0.52 -0.01 1.22 2.07 -0.45 -1.81 116.25 117.87 1e0h h VAL 37 Ca -0.01 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.32 1e0h h VAL 37 Cb 1.21 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1e0h h VAL 37 CO 0.10 0.00 -0.82 0.74 0.02 0.00 0.00 177.57 177.61 1e0h h THR 38 N -0.55 1.47 -0.70 2.57 2.02 -1.00 -1.33 112.91 115.39 1e0h h THR 38 Ca -0.03 -2.48 0.06 0.00 0.77 0.00 0.00 66.41 64.73 1e0h h THR 38 Cb 0.47 2.36 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 1e0h h THR 38 CO 0.01 0.72 0.40 -0.74 0.37 0.00 0.00 175.52 176.29 1e0h h HIS 39 N 0.13 0.73 0.67 3.16 6.17 -0.23 0.23 115.15 126.01 1e0h h HIS 39 Ca -0.04 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.04 1e0h h HIS 39 Cb 1.42 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 31.13 1e0h h HIS 39 CO 0.03 0.35 -0.36 0.35 0.71 0.00 0.00 177.93 179.01 1e0h h PHE 40 N 0.73 -0.95 -0.39 5.26 3.04 -0.37 -0.21 116.94 124.05 1e0h h PHE 40 Ca 0.31 -0.02 0.11 0.00 3.98 0.00 0.00 57.97 62.36 1e0h h PHE 40 Cb 0.19 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.01 1e0h h PHE 40 CO -0.07 -0.57 0.40 0.93 -2.02 0.00 0.00 178.31 176.98 1e0h h GLU 41 N -0.95 0.00 0.07 1.11 4.39 -0.65 -0.45 114.58 118.10 1e0h h GLU 41 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1e0h h GLU 41 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1e0h h GLU 41 CO 0.12 0.00 -0.04 1.49 -1.16 0.00 0.00 179.01 179.42 1e0h h GLU 42 N 0.00 -0.10 -0.73 2.33 4.22 -0.43 -3.41 114.58 116.45 1e0h h GLU 42 Ca 0.18 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.60 1e0h h GLU 42 Cb 0.98 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 1e0h h GLU 42 CO -0.00 0.25 0.33 0.52 -2.18 0.00 0.00 179.01 177.92 1e0h h MET 43 N -0.99 1.06 -0.02 1.92 2.86 0.70 -3.20 114.93 117.27 1e0h h MET 43 Ca -0.01 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1e0h h MET 43 Cb 0.39 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1e0h h MET 43 CO 0.02 0.84 -0.07 -2.37 1.06 0.00 0.00 176.91 176.38 1e0h n THR 44 N -4.31 0.00 -2.19 2.22 5.66 -1.12 -4.56 114.28 109.97 1e0h n THR 44 Ca 0.07 -0.34 -0.12 0.00 -3.05 0.00 0.00 64.05 60.60 1e0h n THR 44 Cb 0.15 0.97 -0.02 0.00 -1.55 0.00 0.00 70.33 69.89 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 0.56 -2.00 -3.98 1.09 1.02 -1.21 -4.89 120.64 111.22 1e0h n GLU 45 Ca 0.15 0.63 -0.32 0.00 -0.02 0.00 0.00 57.16 57.60 1e0h n GLU 45 Cb 0.46 -5.14 -0.05 0.00 -0.02 0.00 0.00 31.44 26.69 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 -2.49 3.42 0.01 -0.32 2.46 -1.26 -5.04 115.29 112.07 1e0h s HIS 46 Ca 0.00 0.25 -0.02 0.00 0.47 0.00 0.00 55.06 55.76 1e0h s HIS 46 Cb 0.00 -1.75 -0.00 0.00 -0.13 0.00 0.00 32.58 30.69 1e0h s HIS 46 CO 0.00 0.59 0.42 -2.30 -2.47 0.00 0.00 174.74 170.97 1e0h n PRO 47 N 0.74 -0.03 0.11 2.88 -0.02 -1.26 -3.37 135.00 134.05 1e0h n PRO 47 Ca -0.09 0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.78 1e0h n PRO 47 Cb 0.52 -0.62 0.04 0.00 -0.02 0.00 0.00 33.50 33.42 1e0h n PRO 47 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1e0h h SER 48 N 0.00 0.00 0.00 2.55 0.02 -1.96 -3.47 113.55 110.68 1e0h h SER 48 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1e0h h SER 48 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1e0h h SER 48 CO -0.06 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 1e0h n GLY 49 N 0.89 0.00 0.00 -3.77 0.00 -1.22 -1.61 105.19 99.49 1e0h n GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 -0.85 1.61 2.88 -1.26 -5.00 113.62 111.00 1e0h n SER 50 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1e0h n SER 50 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1e0h n ASP 51 N 0.00 0.32 -0.88 -3.46 9.92 -0.63 -4.73 116.55 117.09 1e0h n ASP 51 Ca 0.00 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 1e0h n ASP 51 Cb 0.00 -0.21 -0.00 0.00 -0.64 0.00 0.00 41.12 40.26 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1e0h n LEU 52 N 0.17 0.17 -0.05 0.64 -0.00 -1.26 -4.13 117.00 112.54 1e0h n LEU 52 Ca 0.01 -1.44 0.01 0.00 -0.00 0.00 0.00 56.01 54.59 1e0h n LEU 52 Cb 0.85 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.28 1e0h n LEU 52 CO -0.02 0.63 0.41 -0.38 -0.00 0.00 0.00 177.39 178.03 1e0h n ILE 53 N 0.15 0.71 0.01 1.47 5.41 -1.26 -4.65 119.36 121.21 1e0h n ILE 53 Ca -0.02 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.97 1e0h n ILE 53 Cb 0.80 0.57 0.00 0.00 -0.71 0.00 0.00 39.64 40.30 1e0h n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1e0h n TYR 54 N -0.42 -1.92 -0.04 1.39 0.18 -1.26 -5.03 117.16 110.06 1e0h n TYR 54 Ca 0.02 0.07 -0.17 0.00 1.88 0.00 0.00 57.90 59.70 1e0h n TYR 54 Cb 0.41 0.51 -0.13 0.00 -0.38 0.00 0.00 39.34 39.75 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 0.15 -2.39 -3.48 5.03 -1.85 -3.42 116.97 111.01 1e0h h TYR 55 Ca 0.00 -0.11 -0.61 0.00 2.58 0.00 0.00 58.73 60.59 1e0h h TYR 55 Cb 0.00 -0.01 0.11 0.00 1.55 0.00 0.00 36.73 38.39 1e0h h TYR 55 CO 0.00 1.15 0.07 -0.35 -1.32 0.00 0.00 178.16 177.71 1e0h n PRO 56 N -4.44 1.24 0.00 1.82 -0.04 -1.26 -4.85 135.00 127.47 1e0h n PRO 56 Ca -0.14 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1e0h n PRO 56 Cb 0.60 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.71 0.00 0.00 0.54 4.81 -1.23 -4.58 118.16 118.41 1e0h n LYS 57 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1e0h n LYS 57 Cb 0.32 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.36 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 -2.25 0.00 -0.40 1.64 4.07 -1.26 -3.51 120.64 118.93 1e0h n GLU 58 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 1e0h n GLU 58 Cb 0.00 -0.50 0.21 0.00 -0.06 0.00 0.00 31.44 31.09 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 -0.00 1.81 3.24 8.31 0.00 -1.26 -4.97 105.19 112.31 1e0h n GLY 59 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1e0h n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e0h s ASP 60 N -0.66 3.62 0.00 1.61 1.01 -1.23 -4.99 116.67 116.03 1e0h s ASP 60 Ca 0.30 -0.50 -0.01 0.00 0.71 0.00 0.00 52.55 53.05 1e0h s ASP 60 Cb 0.20 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.56 1e0h s ASP 60 CO 0.13 0.05 0.71 -0.90 0.21 0.00 0.00 175.17 175.38 1e0h n ASP 61 N 4.27 0.01 0.00 0.27 5.75 -1.26 -3.53 116.55 122.06 1e0h n ASP 61 Ca -0.19 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 1e0h n ASP 61 Cb 0.51 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1e0h n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1e0h n ASP 62 N 4.33 0.00 -0.16 -1.12 -0.08 -1.26 -2.25 116.55 116.01 1e0h n ASP 62 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1e0h n ASP 62 Cb 0.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1e0h n ASP 62 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1e0h n SER 63 N 0.00 -1.22 0.00 1.67 7.64 -1.26 0.62 113.62 121.07 1e0h n SER 63 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1e0h n SER 63 Cb 0.00 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.32 0.30 0.00 1.43 -0.02 -1.26 -4.16 135.00 130.97 1e0h n PRO 64 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1e0h n PRO 64 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.26 1.12 -0.32 2.55 3.41 -1.16 -4.48 113.62 113.48 1e0h n SER 65 Ca 0.10 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.86 1e0h n SER 65 Cb 0.15 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.43 0.85 5.00 0.00 -1.05 0.66 103.07 109.96 1e0h h GLY 66 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1e0h h GLY 66 CO 0.00 -0.03 0.02 0.16 0.00 0.00 0.00 176.54 176.69 1e0h h ILE 67 N 0.64 1.24 -0.11 2.60 3.07 0.64 0.98 117.51 126.57 1e0h h ILE 67 Ca 0.54 -0.81 -0.08 0.00 1.55 0.00 0.00 64.86 66.06 1e0h h ILE 67 Cb 1.00 1.33 -0.01 0.00 -0.27 0.00 0.00 36.82 38.86 1e0h h ILE 67 CO -0.30 0.25 -0.31 0.58 -1.05 0.00 0.00 178.15 177.33 1e0h h VAL 68 N 0.18 1.26 -0.40 0.16 2.07 -1.75 -1.03 116.25 116.73 1e0h h VAL 68 Ca 0.07 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1e0h h VAL 68 Cb 0.35 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1e0h h VAL 68 CO 0.01 0.37 0.16 0.78 0.02 0.00 0.00 177.57 178.91 1e0h h ASN 69 N 0.19 0.51 -0.39 0.57 2.35 0.66 0.30 115.58 119.78 1e0h h ASN 69 Ca 0.03 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 1e0h h ASN 69 Cb 0.65 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1e0h h ASN 69 CO 0.05 0.47 -0.34 0.74 -1.65 0.00 0.00 177.43 176.70 1e0h h THR 70 N 0.57 1.27 -0.43 2.81 2.02 0.23 -0.13 112.91 119.25 1e0h h THR 70 Ca 0.14 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1e0h h THR 70 Cb 0.12 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1e0h h THR 70 CO -0.01 0.51 0.26 0.58 0.37 0.00 0.00 175.52 177.23 1e0h h VAL 71 N 0.78 1.13 0.00 3.16 2.07 -1.31 -1.87 116.25 120.21 1e0h h VAL 71 Ca 0.07 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1e0h h VAL 71 Cb 0.93 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1e0h h VAL 71 CO 0.09 0.13 0.00 0.29 0.02 0.00 0.00 177.57 178.10 1e0h n LYS 72 N -4.75 0.00 -0.01 1.57 4.01 0.08 -0.11 118.16 118.95 1e0h n LYS 72 Ca 0.01 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.80 1e0h n LYS 72 Cb 0.05 -1.39 -0.00 0.00 -0.51 0.00 0.00 35.03 33.17 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 -0.89 0.02 0.50 1.97 1.13 -0.86 -3.83 117.38 115.42 1e0h n GLN 73 Ca 0.00 0.01 -0.20 0.00 -1.94 0.00 0.00 57.00 54.88 1e0h n GLN 73 Cb 0.00 -0.54 -0.09 0.00 0.11 0.00 0.00 30.24 29.72 1e0h n GLN 73 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 1e0h h TRP 74 N -0.04 -1.18 0.00 1.08 7.01 -1.08 0.42 115.95 122.17 1e0h h TRP 74 Ca -0.03 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1e0h h TRP 74 Cb 1.02 0.39 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 1e0h h TRP 74 CO -0.00 -0.73 0.14 0.54 -2.79 0.00 0.00 178.44 175.60 1e0h n ARG 75 N -5.62 0.12 -0.02 2.65 1.74 0.84 -1.10 116.66 115.27 1e0h n ARG 75 Ca -0.16 0.60 0.07 0.00 -0.77 0.00 0.00 57.85 57.60 1e0h n ARG 75 Cb 0.50 -2.02 -0.15 0.00 -1.02 0.00 0.00 32.46 29.77 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 -1.67 2.55 -0.05 7.54 0.00 -0.87 0.15 120.51 128.14 1e0h n ALA 76 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 1e0h n ALA 76 Cb 0.17 -0.60 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.27 0.88 0.31 0.00 0.00 0.14 -2.62 120.51 116.96 1e0h n ALA 77 Ca -0.08 -0.60 0.18 0.00 0.00 0.00 0.00 53.44 52.94 1e0h n ALA 77 Cb 0.61 -0.56 1.03 0.00 0.00 0.00 0.00 19.45 20.53 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 -0.43 0.00 -0.42 0.00 -0.73 -1.32 -3.47 115.58 109.21 1e0h h ASN 78 Ca -0.42 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.57 1e0h h ASN 78 Cb 1.71 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.22 1e0h h ASN 78 CO -0.07 0.00 -0.17 0.61 -0.37 0.00 0.00 177.43 177.44 1e0h n GLY 79 N -1.20 1.03 0.17 1.57 0.00 -1.08 -4.92 105.19 100.77 1e0h n GLY 79 Ca -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.25 -0.14 0.00 1.61 5.02 0.12 -4.88 118.16 117.64 1e0h n LYS 80 Ca -0.09 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1e0h n LYS 80 Cb 0.35 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1e0h n LYS 80 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1e0h n SER 81 N -4.57 0.00 0.00 4.39 7.64 -1.03 -4.98 113.62 115.07 1e0h n SER 81 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1e0h n SER 81 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 2.03 0.00 0.23 0.00 -1.26 -4.93 105.19 101.25 1e0h n GLY 82 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 -3.29 -4.48 1.61 3.01 -0.92 -4.26 117.46 109.14 1e0h n PHE 83 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 1e0h n PHE 83 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 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 -2.71 1.76 0.05 -1.08 2.20 -1.21 -4.91 119.74 113.84 1e0h s LYS 84 Ca 0.00 -2.02 0.00 0.00 -0.36 0.00 0.00 55.97 53.59 1e0h s LYS 84 Cb 0.00 -0.75 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 1e0h s LYS 84 CO 0.00 -0.31 0.00 1.04 -0.36 0.00 0.00 175.35 175.72 1e0h n GLN 85 N -0.78 0.00 0.00 4.03 6.02 -1.26 -2.34 117.38 123.05 1e0h n GLN 85 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1e0h n GLN 85 Cb 0.66 -0.31 0.00 0.00 1.02 0.00 0.00 30.24 31.61 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46