#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 2.39 0.00 2.12 8.01 -1.26 -5.04 118.70 124.92 1e0h s GLU 2 Ca 0.00 -0.89 0.00 0.00 0.01 0.00 0.00 54.97 54.09 1e0h s GLU 2 Cb 0.00 -2.45 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 1e0h s GLU 2 CO 0.00 0.54 0.00 1.28 0.01 0.00 0.00 175.26 177.09 1e0h n LEU 3 N 0.75 0.00 0.00 1.80 4.77 -1.26 -5.07 117.00 117.99 1e0h n LEU 3 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1e0h n LEU 3 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1e0h n LEU 3 CO 0.36 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.59 1e0h n LYS 4 N 0.00 0.00 0.00 3.23 3.00 -1.26 -4.97 118.16 118.16 1e0h n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1e0h n LYS 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1e0h n LYS 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1e0h n HIS 5 N 0.00 0.00 -3.94 5.64 8.25 -1.26 -5.06 115.22 118.85 1e0h n HIS 5 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1e0h n HIS 5 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.30 0.24 0.00 0.41 0.01 -1.26 -4.99 113.70 105.81 1e0h s SER 6 Ca 0.00 -0.73 0.11 0.00 1.31 0.00 0.00 55.95 56.63 1e0h s SER 6 Cb 0.00 0.28 0.52 0.00 0.21 0.00 0.00 66.02 67.03 1e0h s SER 6 CO 0.00 -0.65 1.24 0.00 0.41 0.00 0.00 173.24 174.25 1e0h n ILE 7 N 0.15 0.82 -0.02 1.44 3.06 -1.26 -3.57 119.36 119.99 1e0h n ILE 7 Ca -0.15 0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 1e0h n ILE 7 Cb 0.61 -1.03 0.00 0.00 0.54 0.00 0.00 39.64 39.76 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 -1.32 0.03 0.00 9.51 2.88 -1.23 -3.95 113.62 119.54 1e0h n SER 8 Ca 0.05 -0.38 0.12 0.00 -1.33 0.00 0.00 58.87 57.33 1e0h n SER 8 Cb 0.09 0.65 0.57 0.00 -0.75 0.00 0.00 64.21 64.77 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 -0.65 0.00 -4.37 -3.46 8.00 -1.23 -4.36 116.55 110.47 1e0h n ASP 9 Ca 0.00 0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.51 1e0h n ASP 9 Cb 0.00 -0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 40.55 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 -2.85 2.26 0.87 1.24 -0.85 -1.25 -5.02 117.35 111.75 1e0h s TYR 10 Ca 0.16 -0.39 -0.13 0.00 -0.52 0.00 0.00 57.07 56.20 1e0h s TYR 10 Cb 0.17 -1.25 0.12 0.00 0.38 0.00 0.00 41.96 41.37 1e0h s TYR 10 CO 0.43 0.29 1.19 -0.08 -1.52 0.00 0.00 175.55 175.86 1e0h s THR 11 N -1.02 1.99 0.41 -3.49 -1.32 -1.26 -2.92 115.64 108.03 1e0h s THR 11 Ca 0.13 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.82 1e0h s THR 11 Cb -0.10 -2.93 0.23 0.00 -1.51 0.00 0.00 72.50 68.19 1e0h s THR 11 CO 0.05 0.00 2.01 -0.08 -2.21 0.00 0.00 174.62 174.39 1e0h h GLU 12 N -1.29 0.00 0.00 7.08 4.81 -1.89 -1.51 114.58 121.78 1e0h h GLU 12 Ca -0.47 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.55 1e0h h GLU 12 Cb 1.31 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1e0h h GLU 12 CO 0.60 0.18 -1.21 0.00 -0.73 0.00 0.00 179.01 177.84 1e0h h ALA 13 N 1.82 0.58 -0.51 2.92 0.00 -1.93 -2.04 119.26 120.11 1e0h h ALA 13 Ca -0.00 -1.01 0.01 0.00 0.00 0.00 0.00 54.91 53.91 1e0h h ALA 13 Cb 0.39 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1e0h h ALA 13 CO 0.02 1.21 0.33 1.49 0.00 0.00 0.00 179.25 182.30 1e0h h GLU 14 N 0.00 0.64 0.00 0.00 4.81 -1.73 0.21 114.58 118.52 1e0h h GLU 14 Ca -0.12 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 1e0h h GLU 14 Cb 1.76 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.97 1e0h h GLU 14 CO 0.09 0.43 -0.79 0.35 -0.73 0.00 0.00 179.01 178.36 1e0h h PHE 15 N 0.66 0.00 -0.61 0.92 3.57 -1.36 -1.37 116.94 118.75 1e0h h PHE 15 Ca 0.19 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1e0h h PHE 15 Cb -0.05 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1e0h h PHE 15 CO -0.05 0.79 0.11 1.25 -2.23 0.00 0.00 178.31 178.18 1e0h h LEU 16 N 0.00 0.92 -0.88 0.59 5.85 -0.87 0.01 115.31 120.92 1e0h h LEU 16 Ca -0.01 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.42 1e0h h LEU 16 Cb 1.50 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1e0h h LEU 16 CO 0.10 0.91 -0.17 -0.61 -0.34 0.00 0.00 178.44 178.33 1e0h h GLN 17 N 0.92 0.63 -0.14 1.25 4.15 -0.90 -0.75 115.11 120.26 1e0h h GLN 17 Ca 0.19 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1e0h h GLN 17 Cb 0.38 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1e0h h GLN 17 CO 0.01 0.77 0.01 1.25 -1.93 0.00 0.00 178.83 178.94 1e0h h LEU 18 N 0.57 0.23 -0.92 -2.39 5.85 -0.11 0.34 115.31 118.88 1e0h h LEU 18 Ca 0.09 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.61 1e0h h LEU 18 Cb 0.62 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1e0h h LEU 18 CO 0.04 0.47 0.56 0.58 -0.34 0.00 0.00 178.44 179.75 1e0h h VAL 19 N -0.01 0.97 0.00 1.05 2.07 -0.93 -0.72 116.25 118.68 1e0h h VAL 19 Ca 0.04 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1e0h h VAL 19 Cb 0.34 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1e0h h VAL 19 CO 0.01 0.18 -0.19 0.00 0.02 0.00 0.00 177.57 177.58 1e0h h THR 20 N 0.96 0.42 -0.01 2.57 1.03 -0.15 0.20 112.91 117.93 1e0h h THR 20 Ca 0.43 -1.13 -0.06 0.00 -0.01 0.00 0.00 66.41 65.64 1e0h h THR 20 Cb 0.32 1.83 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 1e0h h THR 20 CO -0.22 0.18 -0.27 0.74 -0.01 0.00 0.00 175.52 175.94 1e0h h THR 21 N 0.00 1.20 0.06 0.00 2.02 0.12 0.16 112.91 116.46 1e0h h THR 21 Ca -0.00 -0.94 -0.24 0.00 0.77 0.00 0.00 66.41 65.99 1e0h h THR 21 Cb 0.82 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1e0h h THR 21 CO 0.02 0.27 -1.30 0.40 0.37 0.00 0.00 175.52 175.28 1e0h h ILE 22 N 0.01 0.99 0.00 3.11 2.04 -0.75 0.24 117.51 123.15 1e0h h ILE 22 Ca -0.00 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1e0h h ILE 22 Cb 0.49 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1e0h h ILE 22 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 178.15 178.74 1e0h n ASN 24 N -1.39 0.97 -3.16 0.00 4.13 0.57 -4.99 115.26 111.40 1e0h n ASN 24 Ca 0.02 -0.01 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 1e0h n ASN 24 Cb 0.04 0.26 0.05 0.00 -1.54 0.00 0.00 39.78 38.59 1e0h n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1e0h n ALA 25 N -2.95 -1.05 0.00 5.41 0.00 0.75 -4.88 120.51 117.78 1e0h n ALA 25 Ca -0.37 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1e0h n ALA 25 Cb 1.08 -4.32 0.00 0.00 0.00 0.00 0.00 19.45 16.21 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 -2.65 0.00 -2.12 0.00 2.03 -0.72 -4.55 116.55 108.54 1e0h n ASP 26 Ca -0.09 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.21 1e0h n ASP 26 Cb 0.61 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.42 0.00 0.24 5.18 -2.24 -1.26 -4.98 114.28 110.79 1e0h n THR 27 Ca 0.00 -0.10 0.15 0.00 -2.27 0.00 0.00 64.05 61.83 1e0h n THR 27 Cb 0.00 -0.25 0.64 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.04 0.00 0.00 3.42 4.64 -1.95 -3.45 113.55 116.24 1e0h h SER 28 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1e0h h SER 28 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1e0h h SER 28 CO 0.03 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.79 1e0h n SER 29 N -3.04 0.00 0.00 4.97 7.64 -1.26 -4.79 113.62 117.14 1e0h n SER 29 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1e0h n SER 29 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1e0h n SER 29 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1e0h n GLU 30 N -0.60 0.00 -0.01 1.43 2.13 -1.26 -4.96 120.64 117.37 1e0h n GLU 30 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1e0h n GLU 30 Cb 0.00 -0.06 -0.01 0.00 0.27 0.00 0.00 31.44 31.64 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 0.00 0.11 -0.36 5.31 0.00 -1.26 -3.16 120.64 121.28 1e0h n GLU 31 Ca 0.00 0.05 0.27 0.00 0.00 0.00 0.00 57.16 57.48 1e0h n GLU 31 Cb 0.11 -0.56 0.53 0.00 0.00 0.00 0.00 31.44 31.53 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 -0.21 0.25 0.46 5.31 4.39 -1.95 0.23 114.58 123.05 1e0h h GLU 32 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1e0h h GLU 32 Cb 0.21 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1e0h h GLU 32 CO 0.00 0.16 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.46 1e0h h LEU 33 N 0.25 -1.31 -2.03 1.33 3.38 -1.93 1.15 115.31 116.14 1e0h h LEU 33 Ca 0.75 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.94 1e0h h LEU 33 Cb 1.91 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 43.08 1e0h h LEU 33 CO -0.53 -0.63 0.31 0.58 0.09 0.00 0.00 178.44 178.26 1e0h h VAL 34 N -0.94 0.70 0.00 1.22 2.07 -1.17 0.26 116.25 118.38 1e0h h VAL 34 Ca -0.06 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.22 1e0h h VAL 34 Cb 0.82 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1e0h h VAL 34 CO -0.07 0.00 -1.37 0.50 0.02 0.00 0.00 177.57 176.65 1e0h h LYS 35 N 0.00 0.00 0.04 1.57 3.64 0.55 -0.84 116.57 121.52 1e0h h LYS 35 Ca 0.19 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.32 1e0h h LYS 35 Cb 0.81 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1e0h h LYS 35 CO -0.00 0.62 -1.26 -0.07 -2.27 0.00 0.00 179.45 176.47 1e0h h LEU 36 N 0.00 0.12 0.27 5.20 3.38 0.17 0.11 115.31 124.57 1e0h h LEU 36 Ca -0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1e0h h LEU 36 Cb 1.84 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1e0h h LEU 36 CO 0.09 1.13 -0.18 0.58 0.09 0.00 0.00 178.44 180.15 1e0h h VAL 37 N 0.02 0.62 -0.54 1.22 2.07 -0.48 0.15 116.25 119.31 1e0h h VAL 37 Ca -0.12 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1e0h h VAL 37 Cb 1.89 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1e0h h VAL 37 CO 0.14 0.00 -0.13 0.74 0.02 0.00 0.00 177.57 178.34 1e0h h THR 38 N -0.44 1.27 -0.33 2.57 2.02 -1.03 0.14 112.91 117.12 1e0h h THR 38 Ca -0.02 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 65.93 1e0h h THR 38 Cb 0.37 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1e0h h THR 38 CO 0.01 0.46 0.23 -0.74 0.37 0.00 0.00 175.52 175.85 1e0h h HIS 39 N 0.91 0.13 0.15 3.16 6.17 -0.70 0.12 115.15 125.09 1e0h h HIS 39 Ca 0.14 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1e0h h HIS 39 Cb 0.71 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.60 1e0h h HIS 39 CO 0.05 0.07 -0.07 0.35 0.71 0.00 0.00 177.93 179.03 1e0h h PHE 40 N 0.13 -0.19 -0.88 5.26 3.04 0.17 -2.09 116.94 122.39 1e0h h PHE 40 Ca 0.15 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.28 1e0h h PHE 40 Cb 0.43 0.06 -0.11 0.00 2.56 0.00 0.00 35.95 38.90 1e0h h PHE 40 CO -0.00 0.24 0.43 0.93 -2.02 0.00 0.00 178.31 177.89 1e0h h GLU 41 N -0.70 0.52 0.46 1.11 5.08 0.03 -2.80 114.58 118.28 1e0h h GLU 41 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1e0h h GLU 41 Cb 0.51 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1e0h h GLU 41 CO 0.03 0.34 -0.22 1.49 -1.00 0.00 0.00 179.01 179.66 1e0h h GLU 42 N 0.54 -0.59 -2.08 2.33 4.22 -0.88 -3.40 114.58 114.71 1e0h h GLU 42 Ca 0.51 0.04 -0.64 0.00 0.08 0.00 0.00 59.36 59.36 1e0h h GLU 42 Cb 0.84 0.13 -0.21 0.00 0.50 0.00 0.00 28.75 30.02 1e0h h GLU 42 CO -0.43 -0.40 0.87 -0.12 -2.18 0.00 0.00 179.01 176.75 1e0h n MET 43 N -4.32 2.97 0.00 1.92 1.56 -0.78 -2.24 117.12 116.23 1e0h n MET 43 Ca -0.08 -3.02 0.00 0.00 -0.27 0.00 0.00 57.70 54.34 1e0h n MET 43 Cb 0.24 -2.26 0.00 0.00 2.15 0.00 0.00 33.22 33.35 1e0h n MET 43 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1e0h n THR 44 N 0.43 0.00 -3.90 1.12 5.66 -1.24 -4.61 114.28 111.74 1e0h n THR 44 Ca 0.52 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 61.21 1e0h n THR 44 Cb 0.39 0.40 -0.01 0.00 -1.55 0.00 0.00 70.33 69.56 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 0.00 -3.43 -4.35 1.09 1.02 -0.95 -4.92 120.64 109.11 1e0h n GLU 45 Ca 0.00 0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 57.35 1e0h n GLU 45 Cb 0.00 -5.15 -0.11 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.14 1.81 0.24 -0.32 2.46 -1.26 -5.05 115.29 110.03 1e0h s HIS 46 Ca 0.62 -0.50 -0.13 0.00 0.47 0.00 0.00 55.06 55.53 1e0h s HIS 46 Cb -0.33 -0.87 0.33 0.00 -0.13 0.00 0.00 32.58 31.57 1e0h s HIS 46 CO 0.76 0.37 1.49 -2.30 -2.47 0.00 0.00 174.74 172.59 1e0h n PRO 47 N -0.02 -0.16 -0.86 2.88 -0.02 -1.26 -4.13 135.00 131.43 1e0h n PRO 47 Ca -0.11 1.48 -0.01 0.00 -2.02 0.00 0.00 63.50 62.84 1e0h n PRO 47 Cb 0.58 -2.20 0.18 0.00 -0.02 0.00 0.00 33.50 32.04 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 -5.48 2.41 0.00 2.55 7.64 -1.26 -4.97 113.62 114.50 1e0h n SER 48 Ca 0.12 -3.86 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1e0h n SER 48 Cb 0.43 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.06 0.00 1.15 0.23 0.00 -1.26 0.13 105.19 104.38 1e0h n GLY 49 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1e0h n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e0h n SER 50 N -0.66 3.91 0.00 1.61 7.64 -1.26 -4.27 113.62 120.58 1e0h n SER 50 Ca 0.00 -2.29 0.00 0.00 1.01 0.00 0.00 58.87 57.59 1e0h n SER 50 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1e0h n SER 50 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1e0h n ASP 51 N 0.82 0.06 -0.75 6.43 8.00 0.79 -4.22 116.55 127.68 1e0h n ASP 51 Ca 0.20 -0.36 0.06 0.00 0.71 0.00 0.00 54.79 55.41 1e0h n ASP 51 Cb 0.69 0.49 0.17 0.00 -0.02 0.00 0.00 41.12 42.45 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 -0.49 2.36 -0.00 0.64 -0.00 0.35 -3.82 117.00 116.03 1e0h n LEU 52 Ca 0.00 -3.50 -0.00 0.00 -0.00 0.00 0.00 56.01 52.51 1e0h n LEU 52 Cb 0.01 -0.42 -0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1e0h n LEU 52 CO 0.00 1.21 -0.51 -0.38 -0.00 0.00 0.00 177.39 177.71 1e0h n ILE 53 N -0.82 0.02 0.00 1.47 2.08 -1.26 -4.65 119.36 116.21 1e0h n ILE 53 Ca 0.16 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.46 1e0h n ILE 53 Cb 0.77 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 -1.93 0.00 -0.05 1.39 4.01 -1.26 -4.95 117.16 114.36 1e0h n TYR 54 Ca -0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 1e0h n TYR 54 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 1e0h n TYR 54 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1e0h h TYR 55 N 0.00 0.94 -3.02 -0.72 -1.99 -1.82 -3.44 116.97 106.92 1e0h h TYR 55 Ca 0.00 -0.36 -0.55 0.00 2.00 0.00 0.00 58.73 59.81 1e0h h TYR 55 Cb 0.00 -0.16 0.20 0.00 2.00 0.00 0.00 36.73 38.77 1e0h h TYR 55 CO 0.00 1.16 -0.70 -0.35 -0.00 0.00 0.00 178.16 178.27 1e0h n PRO 56 N -4.11 0.06 0.00 4.88 -0.04 -1.25 -4.59 135.00 129.96 1e0h n PRO 56 Ca -0.06 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1e0h n PRO 56 Cb 0.62 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.43 0.00 -3.21 0.54 4.81 -1.18 -4.48 118.16 114.21 1e0h n LYS 57 Ca 0.07 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 1e0h n LYS 57 Cb 0.52 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 3.87 -1.54 1.64 2.13 -1.26 -3.90 120.64 121.58 1e0h n GLU 58 Ca 0.00 -4.52 -0.18 0.00 0.66 0.00 0.00 57.16 53.13 1e0h n GLU 58 Cb 0.00 -2.51 -0.07 0.00 0.27 0.00 0.00 31.44 29.13 1e0h n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e0h n GLY 59 N 1.92 1.66 3.87 8.31 0.00 -1.26 -5.03 105.19 114.66 1e0h n GLY 59 Ca 0.25 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.79 5.40 -0.71 1.61 -1.08 -1.25 -5.09 116.67 112.76 1e0h s ASP 60 Ca 0.00 -0.44 -0.06 0.00 -0.52 0.00 0.00 52.55 51.53 1e0h s ASP 60 Cb 0.00 -1.03 0.18 0.00 -1.46 0.00 0.00 42.92 40.61 1e0h s ASP 60 CO 0.00 -0.35 0.56 -0.62 0.52 0.00 0.00 175.17 175.28 1e0h s ASP 61 N -4.01 5.74 -0.05 -0.34 2.15 -1.26 -3.11 116.67 115.78 1e0h s ASP 61 Ca 0.41 -2.87 -0.03 0.00 0.43 0.00 0.00 52.55 50.50 1e0h s ASP 61 Cb -0.06 -1.97 -0.01 0.00 -0.30 0.00 0.00 42.92 40.58 1e0h s ASP 61 CO 0.27 -0.42 0.15 -2.24 -0.17 0.00 0.00 175.17 172.76 1e0h h ASP 62 N 7.19 -0.08 0.00 -0.34 2.03 -1.84 -2.69 116.42 120.68 1e0h h ASP 62 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1e0h h ASP 62 Cb 0.97 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1e0h h ASP 62 CO 0.73 0.22 0.00 -1.20 -1.03 0.00 0.00 179.24 177.96 1e0h n SER 63 N -3.82 0.00 -0.58 4.15 7.64 -1.26 0.70 113.62 120.44 1e0h n SER 63 Ca -0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.00 1e0h n SER 63 Cb 0.04 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 63.58 1e0h n SER 63 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1e0h n PRO 64 N 5.93 1.70 0.00 1.43 -0.04 -1.26 -4.67 135.00 138.09 1e0h n PRO 64 Ca 0.00 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 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 0.38 0.48 -0.26 3.54 3.41 -0.92 -4.39 113.62 115.86 1e0h n SER 65 Ca 0.16 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.90 1e0h n SER 65 Cb 0.43 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.79 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 1.14 0.97 5.00 0.00 -1.46 0.47 103.07 109.19 1e0h h GLY 66 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1e0h h GLY 66 CO 0.00 0.06 -0.11 0.16 0.00 0.00 0.00 176.54 176.65 1e0h h ILE 67 N 0.62 0.79 0.00 2.60 3.07 0.63 0.56 117.51 125.78 1e0h h ILE 67 Ca 0.46 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.79 1e0h h ILE 67 Cb 0.83 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 1e0h h ILE 67 CO -0.21 0.02 0.00 0.58 -1.05 0.00 0.00 178.15 177.49 1e0h h VAL 68 N -0.34 0.00 -0.09 0.16 2.07 -1.60 0.11 116.25 116.56 1e0h h VAL 68 Ca -0.03 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 1e0h h VAL 68 Cb 0.26 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1e0h h VAL 68 CO 0.05 0.00 -0.55 -1.13 0.02 0.00 0.00 177.57 175.96 1e0h h ASN 69 N 0.00 0.28 -0.06 0.57 -0.73 0.90 -1.79 115.58 114.74 1e0h h ASN 69 Ca 0.00 -0.15 -0.16 0.00 1.87 0.00 0.00 56.30 57.87 1e0h h ASN 69 Cb 0.51 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1e0h h ASN 69 CO 0.00 0.77 -0.50 0.74 -0.37 0.00 0.00 177.43 178.07 1e0h h THR 70 N 0.19 1.31 0.04 -3.57 2.02 0.28 0.16 112.91 113.33 1e0h h THR 70 Ca 0.00 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1e0h h THR 70 Cb 1.03 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1e0h h THR 70 CO 0.09 0.54 -0.02 0.58 0.37 0.00 0.00 175.52 177.08 1e0h h VAL 71 N 0.49 0.97 0.00 3.16 2.07 -1.59 -0.52 116.25 120.84 1e0h h VAL 71 Ca 0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1e0h h VAL 71 Cb 1.05 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1e0h h VAL 71 CO 0.10 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.98 1e0h n LYS 72 N -5.11 0.00 -0.03 1.57 4.01 0.50 0.83 118.16 119.92 1e0h n LYS 72 Ca -0.07 0.05 -0.07 0.00 -0.51 0.00 0.00 58.31 57.70 1e0h n LYS 72 Cb 0.05 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.04 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 -1.02 0.14 0.17 1.97 6.02 -0.84 -3.91 117.38 119.91 1e0h n GLN 73 Ca 0.00 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1e0h n GLN 73 Cb 0.00 -0.74 -0.03 0.00 1.02 0.00 0.00 30.24 30.49 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 -0.24 -0.40 0.00 1.08 7.01 -0.11 0.35 115.95 123.63 1e0h h TRP 74 Ca -0.17 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.82 1e0h h TRP 74 Cb 1.15 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.34 1e0h h TRP 74 CO -0.02 -0.25 0.11 0.54 -2.79 0.00 0.00 178.44 176.03 1e0h n ARG 75 N -3.28 0.00 -0.04 2.65 1.74 0.24 -0.25 116.66 117.72 1e0h n ARG 75 Ca -0.05 0.22 -0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1e0h n ARG 75 Cb 0.17 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 29.90 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 -1.17 2.06 -0.02 7.54 0.00 -1.01 0.08 120.51 128.00 1e0h n ALA 76 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 1e0h n ALA 76 Cb 0.11 -0.22 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 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 0.91 0.35 0.00 0.00 0.00 0.10 -2.84 119.26 117.78 1e0h h ALA 77 Ca -0.19 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.42 1e0h h ALA 77 Cb 1.27 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1e0h h ALA 77 CO 0.01 1.09 0.00 -1.71 0.00 0.00 0.00 179.25 178.64 1e0h n ASN 78 N -3.77 0.00 0.00 0.00 2.85 0.65 -4.90 115.26 110.09 1e0h n ASN 78 Ca -0.31 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.19 1e0h n ASN 78 Cb 0.95 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.67 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 0.32 0.50 0.34 8.20 0.00 -1.07 -4.88 105.19 108.61 1e0h n GLY 79 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 -0.17 0.00 1.61 5.02 0.11 -4.82 118.16 117.91 1e0h n LYS 80 Ca 0.00 1.40 0.00 0.00 -2.02 0.00 0.00 58.31 57.69 1e0h n LYS 80 Cb 0.08 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 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 -5.38 0.00 -0.51 4.39 7.64 -0.66 -4.83 113.62 114.27 1e0h n SER 81 Ca 0.11 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.92 1e0h n SER 81 Cb 0.39 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.90 0.00 0.23 0.00 -1.26 -4.99 105.19 100.06 1e0h n GLY 82 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.81 0.00 -3.93 1.61 3.72 -1.26 -3.53 117.46 111.27 1e0h n PHE 83 Ca -0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.22 1e0h n PHE 83 Cb 0.22 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.00 0.54 0.00 -1.08 4.81 -1.15 -4.68 118.16 116.60 1e0h n LYS 84 Ca 0.00 -2.10 0.00 0.00 -0.87 0.00 0.00 58.31 55.34 1e0h n LYS 84 Cb 0.00 2.04 0.00 0.00 0.02 0.00 0.00 35.03 37.09 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 -0.44 0.00 0.00 1.64 6.02 -1.26 -3.97 117.38 119.37 1e0h n GLN 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1e0h n GLN 85 Cb 0.44 -0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46