#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 0.00 0.00 2.12 4.71 -1.26 -4.92 120.64 121.29 1e0h n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1e0h n GLU 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1e0h n GLU 2 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1e0h n LEU 3 N 0.00 0.00 0.00 -4.62 4.77 -1.26 -5.15 117.00 110.74 1e0h n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1e0h n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1e0h n LEU 3 CO 0.00 -0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.35 1e0h n LYS 4 N -0.71 0.00 -0.02 3.23 4.76 -1.26 -4.95 118.16 119.21 1e0h n LYS 4 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1e0h n LYS 4 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 1e0h n LYS 4 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1e0h n HIS 5 N 1.66 0.00 -3.90 2.13 8.25 -1.26 -4.97 115.22 117.13 1e0h n HIS 5 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1e0h n HIS 5 Cb 0.00 -0.43 -0.09 0.00 1.12 0.00 0.00 29.99 30.59 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 -4.03 0.13 0.00 0.41 1.04 -1.26 -5.00 113.70 104.99 1e0h s SER 6 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1e0h s SER 6 Cb 0.09 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1e0h s SER 6 CO 0.66 -0.54 0.70 0.00 0.98 0.00 0.00 173.24 175.04 1e0h n ILE 7 N 0.67 0.95 0.00 -1.02 0.13 -1.26 -2.44 119.36 116.39 1e0h n ILE 7 Ca -0.19 0.30 0.00 0.00 -1.10 0.00 0.00 62.75 61.77 1e0h n ILE 7 Cb 0.59 -1.30 0.00 0.00 -0.84 0.00 0.00 39.64 38.08 1e0h n ILE 7 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1e0h n SER 8 N -1.20 0.46 0.00 9.51 3.41 -1.19 -4.01 113.62 120.60 1e0h n SER 8 Ca 0.00 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.63 1e0h n SER 8 Cb 0.07 0.29 0.68 0.00 -0.26 0.00 0.00 64.21 64.98 1e0h n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1e0h n ASP 9 N -0.34 0.00 -4.25 4.04 -0.08 -1.02 -4.44 116.55 110.46 1e0h n ASP 9 Ca 0.00 -1.03 -0.14 0.00 -1.51 0.00 0.00 54.79 52.11 1e0h n ASP 9 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1e0h s TYR 10 N -2.00 1.27 0.58 -0.67 1.13 -1.25 -4.99 117.35 111.42 1e0h s TYR 10 Ca 0.34 -1.16 0.04 0.00 -1.41 0.00 0.00 57.07 54.88 1e0h s TYR 10 Cb 0.16 -0.72 0.07 0.00 -1.10 0.00 0.00 41.96 40.37 1e0h s TYR 10 CO 0.26 -0.36 0.80 0.95 -2.51 0.00 0.00 175.55 174.69 1e0h s THR 11 N -3.82 2.48 0.38 -3.49 -4.23 -1.26 -2.14 115.64 103.56 1e0h s THR 11 Ca 0.31 -0.78 0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1e0h s THR 11 Cb 0.07 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 71.37 1e0h s THR 11 CO 0.08 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 175.99 1e0h h GLU 12 N 0.04 0.00 0.00 3.99 4.81 -1.91 -1.41 114.58 120.10 1e0h h GLU 12 Ca -0.37 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 1e0h h GLU 12 Cb 1.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1e0h h GLU 12 CO 0.45 0.28 -1.04 0.00 -0.73 0.00 0.00 179.01 177.97 1e0h h ALA 13 N 1.72 0.65 0.12 2.92 0.00 -1.94 -1.20 119.26 121.53 1e0h h ALA 13 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1e0h h ALA 13 Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1e0h h ALA 13 CO 0.04 0.72 -0.06 0.93 0.00 0.00 0.00 179.25 180.88 1e0h h GLU 14 N 0.00 -0.15 -0.44 0.00 4.39 -1.87 -0.45 114.58 116.05 1e0h h GLU 14 Ca -0.09 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 1e0h h GLU 14 Cb 1.45 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1e0h h GLU 14 CO 0.05 -0.04 -0.05 0.35 -1.16 0.00 0.00 179.01 178.15 1e0h h PHE 15 N -0.23 0.80 -0.60 4.33 3.57 -1.28 -0.61 116.94 122.93 1e0h h PHE 15 Ca -0.02 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 1e0h h PHE 15 Cb 0.18 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1e0h h PHE 15 CO -0.05 0.78 -0.02 1.25 -2.23 0.00 0.00 178.31 178.04 1e0h h LEU 16 N 0.69 1.04 -1.23 0.59 5.85 -1.07 -1.50 115.31 119.67 1e0h h LEU 16 Ca 0.13 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1e0h h LEU 16 Cb 0.50 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1e0h h LEU 16 CO 0.03 1.10 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.55 1e0h h GLN 17 N 0.96 0.44 -0.01 1.25 4.15 -0.77 -0.42 115.11 120.71 1e0h h GLN 17 Ca 0.17 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1e0h h GLN 17 Cb 0.58 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 1e0h h GLN 17 CO 0.03 0.52 0.00 1.25 -1.93 0.00 0.00 178.83 178.71 1e0h h LEU 18 N 0.42 0.01 -0.71 -2.39 7.12 -0.16 0.30 115.31 119.91 1e0h h LEU 18 Ca 0.09 -0.30 0.10 0.00 0.13 0.00 0.00 57.88 57.90 1e0h h LEU 18 Cb 0.39 -0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.44 1e0h h LEU 18 CO 0.02 0.31 0.34 0.58 -0.13 0.00 0.00 178.44 179.56 1e0h h VAL 19 N -0.28 0.83 0.00 1.05 2.07 -1.01 0.15 116.25 119.05 1e0h h VAL 19 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1e0h h VAL 19 Cb 0.30 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1e0h h VAL 19 CO 0.00 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.59 1e0h h THR 20 N 0.58 0.31 0.00 2.57 1.03 -0.54 0.15 112.91 117.01 1e0h h THR 20 Ca 0.35 -0.75 -0.10 0.00 -0.01 0.00 0.00 66.41 65.91 1e0h h THR 20 Cb 0.39 1.57 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 1e0h h THR 20 CO -0.28 0.11 -0.45 0.74 -0.01 0.00 0.00 175.52 175.62 1e0h h THR 21 N 0.00 1.12 0.00 0.00 2.02 0.16 0.38 112.91 116.60 1e0h h THR 21 Ca -0.00 -1.68 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 1e0h h THR 21 Cb 0.56 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1e0h h THR 21 CO 0.01 0.45 -0.42 0.40 0.37 0.00 0.00 175.52 176.33 1e0h h ILE 22 N 0.00 1.46 0.00 3.11 2.04 -0.46 0.48 117.51 124.14 1e0h h ILE 22 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1e0h h ILE 22 Cb 0.92 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1e0h h ILE 22 CO 0.06 0.50 0.00 0.00 0.00 0.00 0.00 178.15 178.71 1e0h n ASN 24 N -1.17 2.20 -2.28 0.00 5.15 0.12 -5.00 115.26 114.28 1e0h n ASN 24 Ca 0.00 -0.29 -0.14 0.00 -0.60 0.00 0.00 54.58 53.55 1e0h n ASN 24 Cb 0.00 1.07 -0.01 0.00 -0.53 0.00 0.00 39.78 40.30 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 -1.33 -0.67 0.00 5.20 0.00 0.16 -4.83 120.51 119.05 1e0h n ALA 25 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1e0h n ALA 25 Cb 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.67 0.00 -2.28 0.00 2.03 -0.90 -4.62 116.55 109.11 1e0h n ASP 26 Ca -0.16 0.15 -0.03 0.00 0.52 0.00 0.00 54.79 55.26 1e0h n ASP 26 Cb 0.60 -0.15 0.02 0.00 -0.72 0.00 0.00 41.12 40.88 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 -1.10 0.00 -0.27 5.18 -2.24 -1.26 -4.76 114.28 109.83 1e0h n THR 27 Ca 0.00 -0.10 0.21 0.00 -2.27 0.00 0.00 64.05 61.89 1e0h n THR 27 Cb 0.28 -1.79 0.52 0.00 -2.10 0.00 0.00 70.33 67.24 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 -0.37 0.40 0.00 3.42 4.64 -1.93 -3.46 113.55 116.25 1e0h h SER 28 Ca -0.05 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1e0h h SER 28 Cb 0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1e0h h SER 28 CO 0.03 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.58 1e0h n SER 29 N -4.53 0.00 0.00 4.97 3.41 -1.26 -4.96 113.62 111.25 1e0h n SER 29 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1e0h n SER 29 Cb 0.79 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 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 0.06 0.00 0.03 4.33 2.13 -1.26 -4.53 120.64 121.40 1e0h n GLU 30 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1e0h n GLU 30 Cb 0.00 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.39 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 0.00 -0.19 5.31 0.00 -1.26 -3.72 120.64 118.78 1e0h n GLU 31 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 57.16 57.44 1e0h n GLU 31 Cb 0.00 -0.44 0.70 0.00 0.00 0.00 0.00 31.44 31.71 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 0.04 0.54 5.31 4.39 -1.95 0.63 114.58 123.54 1e0h h GLU 32 Ca 0.00 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1e0h h GLU 32 Cb 0.39 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1e0h h GLU 32 CO 0.00 0.02 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.54 1e0h h LEU 33 N 0.04 -0.63 -1.94 1.33 3.38 -1.90 1.01 115.31 116.61 1e0h h LEU 33 Ca 0.43 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.55 1e0h h LEU 33 Cb 1.67 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1e0h h LEU 33 CO -0.02 -0.44 0.33 0.58 0.09 0.00 0.00 178.44 178.97 1e0h h VAL 34 N -0.73 0.80 0.00 1.22 2.07 -1.40 0.21 116.25 118.42 1e0h h VAL 34 Ca -0.07 -0.02 -0.18 0.00 0.82 0.00 0.00 66.70 67.25 1e0h h VAL 34 Cb 0.56 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1e0h h VAL 34 CO 0.12 0.01 -1.22 0.50 0.02 0.00 0.00 177.57 177.00 1e0h h LYS 35 N 0.07 0.00 0.01 1.57 3.64 0.02 -0.92 116.57 120.95 1e0h h LYS 35 Ca 0.22 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.39 1e0h h LYS 35 Cb 0.80 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1e0h h LYS 35 CO -0.02 0.44 -1.04 -0.07 -2.27 0.00 0.00 179.45 176.49 1e0h h LEU 36 N 0.00 0.02 0.41 5.20 3.38 0.15 0.25 115.31 124.72 1e0h h LEU 36 Ca -0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1e0h h LEU 36 Cb 1.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1e0h h LEU 36 CO 0.06 1.02 -0.20 0.58 0.09 0.00 0.00 178.44 179.99 1e0h h VAL 37 N 0.00 0.60 -0.01 1.22 2.07 -0.53 -1.73 116.25 117.87 1e0h h VAL 37 Ca -0.03 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 1e0h h VAL 37 Cb 1.79 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1e0h h VAL 37 CO 0.13 0.03 -0.83 0.74 0.02 0.00 0.00 177.57 177.66 1e0h h THR 38 N -0.63 1.48 -0.74 2.57 2.02 -1.13 0.88 112.91 117.35 1e0h h THR 38 Ca -0.06 -2.51 0.15 0.00 0.77 0.00 0.00 66.41 64.76 1e0h h THR 38 Cb 0.47 2.39 -0.14 0.00 -1.74 0.00 0.00 68.15 69.12 1e0h h THR 38 CO 0.09 0.73 -0.20 -0.74 0.37 0.00 0.00 175.52 175.78 1e0h h HIS 39 N 0.12 -0.44 0.00 3.16 6.17 -0.54 -0.10 115.15 123.51 1e0h h HIS 39 Ca -0.04 0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.11 1e0h h HIS 39 Cb 1.43 0.31 0.00 0.00 2.52 0.00 0.00 27.41 31.67 1e0h h HIS 39 CO 0.03 -0.33 -0.00 0.35 0.71 0.00 0.00 177.93 178.69 1e0h h PHE 40 N -0.01 -0.00 -1.06 5.26 3.04 0.11 0.11 116.94 124.39 1e0h h PHE 40 Ca 0.35 -0.00 0.31 0.00 3.98 0.00 0.00 57.97 62.61 1e0h h PHE 40 Cb 0.55 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.01 1e0h h PHE 40 CO -0.60 0.20 0.79 0.93 -2.02 0.00 0.00 178.31 177.61 1e0h h GLU 41 N -0.20 0.00 0.00 1.11 5.08 -1.03 -2.83 114.58 116.71 1e0h h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1e0h h GLU 41 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1e0h h GLU 41 CO 0.00 0.00 -0.02 1.49 -1.00 0.00 0.00 179.01 179.48 1e0h h GLU 42 N 0.00 0.00 -0.12 2.33 4.22 -0.06 -3.41 114.58 117.53 1e0h h GLU 42 Ca 0.50 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.96 1e0h h GLU 42 Cb 2.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 1e0h h GLU 42 CO -0.01 0.00 -0.32 0.52 -2.18 0.00 0.00 179.01 177.03 1e0h h MET 43 N -0.29 -0.30 0.00 1.92 2.86 -0.58 -1.71 114.93 116.84 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 0.02 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1e0h h MET 43 CO 0.00 -0.20 0.00 -2.37 1.06 0.00 0.00 176.91 175.40 1e0h n THR 44 N -4.23 0.36 -3.72 2.22 5.66 -1.16 -4.42 114.28 108.99 1e0h n THR 44 Ca -0.03 0.09 -0.26 0.00 -3.05 0.00 0.00 64.05 60.80 1e0h n THR 44 Cb 0.21 -0.74 0.05 0.00 -1.55 0.00 0.00 70.33 68.31 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 -1.30 -6.62 -4.39 1.09 2.13 -0.64 -4.92 120.64 105.98 1e0h n GLU 45 Ca 0.10 0.72 -0.30 0.00 0.66 0.00 0.00 57.16 58.34 1e0h n GLU 45 Cb 0.17 -5.66 -0.12 0.00 0.27 0.00 0.00 31.44 26.10 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 -3.35 2.49 0.01 4.31 2.46 -1.26 -5.08 115.29 114.87 1e0h s HIS 46 Ca 0.52 -0.29 -0.02 0.00 0.47 0.00 0.00 55.06 55.75 1e0h s HIS 46 Cb -0.25 -1.35 -0.00 0.00 -0.13 0.00 0.00 32.58 30.85 1e0h s HIS 46 CO 0.78 0.35 1.03 -1.35 -2.47 0.00 0.00 174.74 173.08 1e0h h PRO 47 N 3.91 -0.00 -0.87 2.88 0.11 -1.96 -3.31 132.00 132.76 1e0h h PRO 47 Ca -0.50 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.11 1e0h h PRO 47 Cb 1.17 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.00 1e0h h PRO 47 CO 0.45 -0.00 0.50 0.43 -0.21 0.00 0.00 178.00 179.17 1e0h n SER 48 N -3.12 4.59 -0.18 -2.05 7.64 -1.26 -4.77 113.62 114.48 1e0h n SER 48 Ca 0.00 -3.70 -0.05 0.00 1.01 0.00 0.00 58.87 56.14 1e0h n SER 48 Cb 0.02 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 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 -1.80 0.00 0.23 0.00 -1.25 0.74 105.19 102.05 1e0h n GLY 49 Ca 0.55 0.63 0.01 0.00 0.00 0.00 0.00 46.02 47.21 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 -4.05 0.00 0.00 1.61 7.64 -1.26 -3.18 113.62 114.38 1e0h n SER 50 Ca 0.01 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1e0h n SER 50 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1e0h n SER 50 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1e0h n ASP 51 N -0.58 0.35 -2.38 6.43 2.03 0.16 -4.83 116.55 117.73 1e0h n ASP 51 Ca 0.02 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.05 1e0h n ASP 51 Cb 0.01 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.41 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1e0h n LEU 52 N -2.07 6.79 0.00 -2.67 -0.00 0.23 -1.10 117.00 118.17 1e0h n LEU 52 Ca 0.00 -4.01 0.00 0.00 -0.00 0.00 0.00 56.01 52.00 1e0h n LEU 52 Cb 0.08 -1.13 0.00 0.00 -0.00 0.00 0.00 43.42 42.37 1e0h n LEU 52 CO 0.00 1.57 -0.19 -0.38 -0.00 0.00 0.00 177.39 178.39 1e0h n ILE 53 N 0.30 0.00 -1.09 1.47 2.08 -1.26 -4.63 119.36 116.23 1e0h n ILE 53 Ca 0.47 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1e0h n ILE 53 Cb 0.52 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 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 -1.76 0.00 1.79 1.39 4.02 -0.53 -4.95 117.16 117.13 1e0h n TYR 54 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 1e0h n TYR 54 Cb 0.19 0.01 0.80 0.00 -0.02 0.00 0.00 39.34 40.31 1e0h n TYR 54 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1e0h n TYR 55 N 0.00 0.00 0.00 -0.72 4.01 -0.26 -4.89 117.16 115.30 1e0h n TYR 55 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1e0h n TYR 55 Cb 0.03 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1e0h n TYR 55 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1e0h n PRO 56 N -0.67 1.27 0.00 -0.72 -0.05 -1.24 -4.85 135.00 128.74 1e0h n PRO 56 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.66 1e0h n PRO 56 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.65 1e0h n PRO 56 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1e0h n LYS 57 N 0.00 0.00 0.00 0.54 4.81 -1.23 -4.82 118.16 117.46 1e0h n LYS 57 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 1e0h n LYS 57 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 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 -0.53 1.99 -0.09 1.64 4.07 -1.26 -3.93 120.64 122.52 1e0h n GLU 58 Ca 0.00 -0.58 0.00 0.00 -0.06 0.00 0.00 57.16 56.52 1e0h n GLU 58 Cb 0.00 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 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 1.11 0.07 3.32 8.31 0.00 -1.26 -5.13 105.19 111.62 1e0h n GLY 59 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 1.38 -0.35 1.61 -1.08 -1.25 -5.14 116.67 111.78 1e0h s ASP 60 Ca 0.00 -1.67 0.03 0.00 -0.52 0.00 0.00 52.55 50.39 1e0h s ASP 60 Cb 0.00 0.57 0.10 0.00 -1.46 0.00 0.00 42.92 42.13 1e0h s ASP 60 CO 0.00 -1.10 0.09 -0.62 0.52 0.00 0.00 175.17 174.06 1e0h s ASP 61 N -3.32 4.46 0.00 -0.34 2.15 -1.26 -3.55 116.67 114.80 1e0h s ASP 61 Ca 0.38 -2.12 0.20 0.00 0.43 0.00 0.00 52.55 51.44 1e0h s ASP 61 Cb 0.02 -1.39 0.53 0.00 -0.30 0.00 0.00 42.92 41.78 1e0h s ASP 61 CO 0.25 -0.37 1.45 -0.90 -0.17 0.00 0.00 175.17 175.42 1e0h n ASP 62 N 4.27 3.05 -4.51 -0.34 5.75 -1.26 -1.73 116.55 121.77 1e0h n ASP 62 Ca 0.03 -1.95 -0.34 0.00 -0.01 0.00 0.00 54.79 52.52 1e0h n ASP 62 Cb 0.41 -0.31 0.11 0.00 -1.03 0.00 0.00 41.12 40.30 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 1.19 -0.92 0.00 -1.12 7.64 -1.26 -4.38 113.62 114.77 1e0h n SER 63 Ca 0.19 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1e0h n SER 63 Cb 0.51 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 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 -2.03 0.00 -0.02 1.43 -0.02 -1.26 -0.73 135.00 132.38 1e0h n PRO 64 Ca 0.10 0.29 -0.03 0.00 -2.02 0.00 0.00 63.50 61.83 1e0h n PRO 64 Cb 0.52 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.33 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 2.65 -0.32 2.55 3.41 -1.26 -4.31 113.62 115.08 1e0h n SER 65 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1e0h n SER 65 Cb 0.15 -0.07 0.22 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.14 1.35 1.04 5.00 0.00 -1.31 0.21 103.07 109.50 1e0h h GLY 66 Ca -0.08 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1e0h h GLY 66 CO -0.03 0.33 -0.23 0.16 0.00 0.00 0.00 176.54 176.78 1e0h h ILE 67 N 1.09 1.28 -0.10 2.60 3.07 -0.06 0.66 117.51 126.05 1e0h h ILE 67 Ca 0.39 -1.38 -0.09 0.00 1.55 0.00 0.00 64.86 65.33 1e0h h ILE 67 Cb 0.14 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 1e0h h ILE 67 CO -0.14 0.46 -0.34 0.58 -1.05 0.00 0.00 178.15 177.66 1e0h h VAL 68 N 0.65 1.27 0.00 0.16 2.07 -1.77 0.10 116.25 118.75 1e0h h VAL 68 Ca 0.08 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1e0h h VAL 68 Cb 0.80 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1e0h h VAL 68 CO 0.07 0.39 -0.08 0.78 0.02 0.00 0.00 177.57 178.75 1e0h h ASN 69 N 0.18 0.00 -0.00 0.57 2.35 0.61 0.44 115.58 119.73 1e0h h ASN 69 Ca 0.02 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.55 1e0h h ASN 69 Cb 0.69 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.07 1e0h h ASN 69 CO 0.05 0.08 -0.82 0.74 -1.65 0.00 0.00 177.43 175.83 1e0h h THR 70 N 0.00 1.31 -0.50 2.81 2.02 0.29 -1.05 112.91 117.79 1e0h h THR 70 Ca -0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1e0h h THR 70 Cb 0.17 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1e0h h THR 70 CO 0.01 0.65 0.32 0.58 0.37 0.00 0.00 175.52 177.45 1e0h h VAL 71 N 0.44 1.14 0.00 3.16 2.07 -1.26 -0.66 116.25 121.13 1e0h h VAL 71 Ca -0.06 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1e0h h VAL 71 Cb 1.44 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1e0h h VAL 71 CO 0.16 0.14 0.00 0.29 0.02 0.00 0.00 177.57 178.18 1e0h n LYS 72 N -4.72 0.19 -0.00 1.57 4.01 0.13 0.10 118.16 119.44 1e0h n LYS 72 Ca 0.02 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1e0h n LYS 72 Cb 0.03 -1.42 -0.00 0.00 -0.51 0.00 0.00 35.03 33.13 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 -0.92 0.01 0.14 1.97 6.02 -1.06 -3.85 117.38 119.69 1e0h n GLN 73 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.98 1e0h n GLN 73 Cb 0.02 -0.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.65 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 -0.01 -0.34 0.00 1.08 7.01 -0.19 0.39 115.95 123.89 1e0h h TRP 74 Ca -0.01 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1e0h h TRP 74 Cb 1.01 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 1e0h h TRP 74 CO -0.00 -0.21 0.11 0.54 -2.79 0.00 0.00 178.44 176.09 1e0h n ARG 75 N -3.01 0.00 -0.06 2.65 5.12 0.29 -0.02 116.66 121.63 1e0h n ARG 75 Ca -0.04 0.25 -0.04 0.00 -1.93 0.00 0.00 57.85 56.09 1e0h n ARG 75 Cb 0.14 -1.61 -0.12 0.00 -1.16 0.00 0.00 32.46 29.71 1e0h n ARG 75 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1e0h n ALA 76 N -1.20 1.86 -0.08 7.54 0.00 -1.06 -0.43 120.51 127.13 1e0h n ALA 76 Ca 0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 53.44 52.39 1e0h n ALA 76 Cb 0.11 -0.19 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 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 1.27 0.36 0.00 0.00 0.13 -2.89 120.51 116.94 1e0h n ALA 77 Ca -0.20 -0.95 0.11 0.00 0.00 0.00 0.00 53.44 52.41 1e0h n ALA 77 Cb 0.86 -0.31 0.49 0.00 0.00 0.00 0.00 19.45 20.49 1e0h n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1e0h n ASN 78 N -3.29 0.62 -1.01 0.00 2.85 0.97 -4.91 115.26 110.49 1e0h n ASN 78 Ca -0.40 0.67 -0.11 0.00 -0.11 0.00 0.00 54.58 54.63 1e0h n ASN 78 Cb 1.02 -0.79 -0.04 0.00 1.24 0.00 0.00 39.78 41.21 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 -0.20 0.82 0.31 8.20 0.00 -1.14 -4.86 105.19 108.32 1e0h n GLY 79 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.05 0.00 1.61 1.79 -0.97 -3.47 116.57 115.58 1e0h h LYS 80 Ca -0.25 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1e0h h LYS 80 Cb 0.89 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1e0h h LYS 80 CO 0.34 0.03 0.00 0.43 -1.08 0.00 0.00 179.45 179.17 1e0h n SER 81 N -5.45 -4.07 0.00 0.86 7.64 -1.17 -5.00 113.62 106.44 1e0h n SER 81 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1e0h n SER 81 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.64 0.00 0.23 0.00 -1.26 -5.03 105.19 100.76 1e0h n GLY 82 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.40 0.00 -4.34 1.61 3.72 -1.26 -3.18 117.46 112.62 1e0h n PHE 83 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1e0h n PHE 83 Cb 0.01 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 1e0h n PHE 83 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1e0h s LYS 84 N 1.67 1.77 0.02 -1.08 2.20 -0.91 -4.80 119.74 118.61 1e0h s LYS 84 Ca 0.00 -2.04 0.00 0.00 -0.36 0.00 0.00 55.97 53.57 1e0h s LYS 84 Cb 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1e0h s LYS 84 CO 0.00 -0.59 0.00 1.04 -0.36 0.00 0.00 175.35 175.44 1e0h n GLN 85 N -0.67 0.00 0.00 4.03 6.02 -1.26 -3.82 117.38 121.67 1e0h n GLN 85 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1e0h n GLN 85 Cb 0.63 -0.29 0.00 0.00 1.02 0.00 0.00 30.24 31.60 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46