#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 0.86 -3.61 0.03 0.00 -1.26 -4.95 120.64 111.71 1e0h n GLU 2 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 57.16 57.44 1e0h n GLU 2 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 31.44 29.86 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 1.30 -0.11 0.00 -1.84 1.43 -1.26 -4.93 118.68 113.27 1e0h s LEU 3 Ca 0.62 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1e0h s LEU 3 Cb -0.80 1.41 -0.00 0.00 0.03 0.00 0.00 46.19 46.82 1e0h s LEU 3 CO 0.58 -0.28 0.14 1.17 0.23 0.00 0.00 176.35 178.19 1e0h n LYS 4 N -0.26 0.20 -0.02 1.70 3.00 -1.26 -5.02 118.16 116.50 1e0h n LYS 4 Ca -0.03 -1.14 0.05 0.00 -0.00 0.00 0.00 58.31 57.18 1e0h n LYS 4 Cb 0.60 1.00 -0.14 0.00 0.00 0.00 0.00 35.03 36.49 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 -0.22 0.18 -3.67 5.64 8.25 -1.26 -5.02 115.22 119.11 1e0h n HIS 5 Ca 0.02 0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1e0h n HIS 5 Cb 0.22 -0.73 -0.07 0.00 1.12 0.00 0.00 29.99 30.53 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 -4.96 -0.32 0.00 0.41 1.04 -1.26 -5.00 113.70 103.61 1e0h s SER 6 Ca -0.07 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1e0h s SER 6 Cb 0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1e0h s SER 6 CO 0.87 -0.57 0.46 0.00 0.98 0.00 0.00 173.24 174.97 1e0h n ILE 7 N 0.86 0.00 -0.07 -1.02 0.00 -1.26 -1.96 119.36 115.92 1e0h n ILE 7 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.55 1e0h n ILE 7 Cb 0.58 -0.98 0.00 0.00 0.00 0.00 0.00 39.64 39.24 1e0h n ILE 7 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1e0h n SER 8 N -0.96 0.00 -0.09 9.51 3.41 -1.26 -3.97 113.62 120.26 1e0h n SER 8 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1e0h n SER 8 Cb 0.00 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 64.66 1e0h n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1e0h n ASP 9 N 0.00 0.34 -4.40 4.04 8.00 -0.83 -4.08 116.55 119.61 1e0h n ASP 9 Ca 0.00 -0.62 -0.29 0.00 0.71 0.00 0.00 54.79 54.59 1e0h n ASP 9 Cb 0.00 -0.10 -0.13 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.37 2.36 0.87 1.24 1.13 -1.22 -4.96 117.35 114.39 1e0h s TYR 10 Ca 0.33 -0.36 -0.12 0.00 -1.41 0.00 0.00 57.07 55.51 1e0h s TYR 10 Cb 0.21 -1.31 0.20 0.00 -1.10 0.00 0.00 41.96 39.96 1e0h s TYR 10 CO 0.44 0.30 1.19 0.25 -2.51 0.00 0.00 175.55 175.22 1e0h n THR 11 N 1.11 0.00 -0.24 -3.49 -2.24 -1.26 -2.30 114.28 105.85 1e0h n THR 11 Ca -0.17 -1.05 -0.04 0.00 -2.27 0.00 0.00 64.05 60.52 1e0h n THR 11 Cb 0.53 -1.40 0.06 0.00 -2.10 0.00 0.00 70.33 67.42 1e0h n THR 11 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1e0h h GLU 12 N 0.00 0.86 -0.48 -0.78 4.81 -1.91 -2.25 114.58 114.82 1e0h h GLU 12 Ca -0.39 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.70 1e0h h GLU 12 Cb 1.13 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1e0h h GLU 12 CO 0.30 0.57 -0.05 0.00 -0.73 0.00 0.00 179.01 179.09 1e0h h ALA 13 N 1.27 0.99 -0.99 2.92 0.00 -1.94 0.46 119.26 121.98 1e0h h ALA 13 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1e0h h ALA 13 Cb -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1e0h h ALA 13 CO -0.08 0.61 0.64 0.93 0.00 0.00 0.00 179.25 181.34 1e0h h GLU 14 N 0.77 1.32 -0.13 0.00 5.08 -1.91 0.18 114.58 119.89 1e0h h GLU 14 Ca 0.14 -0.09 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 1e0h h GLU 14 Cb 0.54 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1e0h h GLU 14 CO 0.03 0.89 -0.72 0.35 -1.00 0.00 0.00 179.01 178.55 1e0h h PHE 15 N 1.35 0.97 -0.34 4.33 3.57 -0.64 -3.11 116.94 123.07 1e0h h PHE 15 Ca 0.36 -0.44 -0.15 0.00 3.53 0.00 0.00 57.97 61.27 1e0h h PHE 15 Cb -0.12 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1e0h h PHE 15 CO 0.00 1.26 -0.39 1.25 -2.23 0.00 0.00 178.31 178.20 1e0h h LEU 16 N 0.41 0.88 -1.34 0.59 5.85 0.62 0.25 115.31 122.57 1e0h h LEU 16 Ca -0.05 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1e0h h LEU 16 Cb 1.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1e0h h LEU 16 CO 0.15 1.16 0.06 0.06 -0.34 0.00 0.00 178.44 179.53 1e0h h GLN 17 N 0.67 0.51 -0.13 1.25 3.07 -0.82 -0.46 115.11 119.20 1e0h h GLN 17 Ca 0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 1e0h h GLN 17 Cb 0.96 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 28.44 1e0h h GLN 17 CO 0.09 0.49 -0.21 1.25 0.09 0.00 0.00 178.83 180.54 1e0h h LEU 18 N 0.50 0.40 -0.82 0.06 7.12 -0.95 0.21 115.31 121.82 1e0h h LEU 18 Ca 0.11 -0.53 0.13 0.00 0.13 0.00 0.00 57.88 57.72 1e0h h LEU 18 Cb 0.23 -0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 40.16 1e0h h LEU 18 CO -0.00 0.86 0.43 0.58 -0.13 0.00 0.00 178.44 180.18 1e0h h VAL 19 N -0.04 0.78 0.00 1.05 2.07 -0.87 -1.04 116.25 118.20 1e0h h VAL 19 Ca 0.01 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1e0h h VAL 19 Cb 0.78 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1e0h h VAL 19 CO 0.05 0.12 -0.36 0.74 0.02 0.00 0.00 177.57 178.14 1e0h h THR 20 N 0.65 1.02 0.00 2.57 2.02 -0.38 0.22 112.91 119.01 1e0h h THR 20 Ca 0.43 -1.33 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 1e0h h THR 20 Cb 0.55 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1e0h h THR 20 CO -0.33 0.35 -0.41 0.74 0.37 0.00 0.00 175.52 176.24 1e0h h THR 21 N 0.00 1.27 0.00 3.16 2.02 0.70 0.71 112.91 120.77 1e0h h THR 21 Ca -0.00 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.68 1e0h h THR 21 Cb 0.74 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1e0h h THR 21 CO 0.05 0.40 -0.49 0.40 0.37 0.00 0.00 175.52 176.25 1e0h h ILE 22 N 0.00 1.35 0.00 3.11 2.04 -0.66 0.41 117.51 123.76 1e0h h ILE 22 Ca -0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1e0h h ILE 22 Cb 0.73 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1e0h h ILE 22 CO 0.05 0.46 0.03 0.00 0.00 0.00 0.00 178.15 178.70 1e0h n ASN 24 N -1.35 1.80 -3.23 0.00 5.15 0.24 -5.01 115.26 112.87 1e0h n ASN 24 Ca 0.00 -0.27 -0.21 0.00 -0.60 0.00 0.00 54.58 53.50 1e0h n ASN 24 Cb 0.03 1.32 -0.00 0.00 -0.53 0.00 0.00 39.78 40.60 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 -1.65 -1.03 0.00 5.20 0.00 0.14 -4.82 120.51 118.35 1e0h n ALA 25 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1e0h n ALA 25 Cb 0.24 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 -2.21 0.00 -2.36 0.00 2.03 -0.91 -4.44 116.55 108.66 1e0h n ASP 26 Ca -0.03 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.24 1e0h n ASP 26 Cb 0.55 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.70 0.00 0.11 5.18 -2.24 -1.26 -4.97 114.28 110.39 1e0h n THR 27 Ca 0.00 -0.29 0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1e0h n THR 27 Cb 0.00 -0.27 0.36 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.11 0.00 0.00 3.42 4.64 -1.95 -3.45 113.55 116.32 1e0h h SER 28 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1e0h h SER 28 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1e0h h SER 28 CO 0.08 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.84 1e0h n SER 29 N -2.97 0.00 0.00 4.97 7.64 -1.26 -4.75 113.62 117.26 1e0h n SER 29 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1e0h n SER 29 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -0.90 0.00 0.01 1.43 2.13 -1.26 -4.95 120.64 117.09 1e0h n GLU 30 Ca 0.00 -0.01 -0.02 0.00 0.66 0.00 0.00 57.16 57.78 1e0h n GLU 30 Cb 0.00 -0.10 -0.01 0.00 0.27 0.00 0.00 31.44 31.61 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 0.07 -0.08 5.31 0.00 -1.26 -2.95 120.64 121.73 1e0h n GLU 31 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 57.16 57.31 1e0h n GLU 31 Cb 0.28 -0.62 0.51 0.00 0.00 0.00 0.00 31.44 31.61 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 -0.12 0.38 0.55 5.31 5.08 -1.95 -0.62 114.58 123.21 1e0h h GLU 32 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1e0h h GLU 32 Cb 0.62 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1e0h h GLU 32 CO -0.03 0.25 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.81 1e0h h LEU 33 N 0.39 -0.91 -2.21 1.33 3.38 -1.93 0.75 115.31 116.11 1e0h h LEU 33 Ca 0.28 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.35 1e0h h LEU 33 Cb 0.56 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1e0h h LEU 33 CO -0.08 -0.54 0.18 0.58 0.09 0.00 0.00 178.44 178.68 1e0h h VAL 34 N -0.85 0.55 0.13 1.22 2.07 -1.44 0.52 116.25 118.45 1e0h h VAL 34 Ca -0.07 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.17 1e0h h VAL 34 Cb 0.69 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1e0h h VAL 34 CO 0.06 0.00 -1.25 0.50 0.02 0.00 0.00 177.57 176.90 1e0h h LYS 35 N 0.00 0.29 -0.01 1.57 3.64 -0.37 0.49 116.57 122.18 1e0h h LYS 35 Ca 0.08 -0.49 -0.14 0.00 -1.27 0.00 0.00 60.65 58.84 1e0h h LYS 35 Cb 0.44 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1e0h h LYS 35 CO -0.00 1.23 -0.64 -0.07 -2.27 0.00 0.00 179.45 177.70 1e0h h LEU 36 N 0.08 0.05 -0.13 5.20 3.38 0.16 0.23 115.31 124.28 1e0h h LEU 36 Ca -0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1e0h h LEU 36 Cb 1.97 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1e0h h LEU 36 CO 0.21 0.68 0.06 -0.37 0.09 0.00 0.00 178.44 179.10 1e0h h VAL 37 N 0.03 1.15 -0.33 1.22 -1.51 0.22 -0.36 116.25 116.67 1e0h h VAL 37 Ca -0.01 -0.43 -0.07 0.00 -1.23 0.00 0.00 66.70 64.96 1e0h h VAL 37 Cb 1.14 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 1e0h h VAL 37 CO 0.09 0.13 -0.08 0.74 -1.23 0.00 0.00 177.57 177.22 1e0h h THR 38 N 0.06 1.28 0.00 7.19 2.02 -0.73 0.04 112.91 122.77 1e0h h THR 38 Ca 0.04 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 1e0h h THR 38 Cb 0.16 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1e0h h THR 38 CO -0.00 0.37 -0.01 -0.74 0.37 0.00 0.00 175.52 175.51 1e0h h HIS 39 N 0.43 0.00 0.46 3.16 6.17 -0.45 0.36 115.15 125.28 1e0h h HIS 39 Ca 0.08 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.14 1e0h h HIS 39 Cb 0.58 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.52 1e0h h HIS 39 CO 0.05 0.01 -0.22 0.35 0.71 0.00 0.00 177.93 178.83 1e0h h PHE 40 N 0.00 -0.57 -0.98 5.26 3.04 0.76 -2.73 116.94 121.73 1e0h h PHE 40 Ca -0.00 -0.01 0.30 0.00 3.98 0.00 0.00 57.97 62.24 1e0h h PHE 40 Cb 0.06 0.19 -0.18 0.00 2.56 0.00 0.00 35.95 38.58 1e0h h PHE 40 CO 0.00 -0.35 0.17 0.93 -2.02 0.00 0.00 178.31 177.03 1e0h h GLU 41 N -0.90 0.03 0.74 1.11 5.08 -0.12 -1.06 114.58 119.46 1e0h h GLU 41 Ca -0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1e0h h GLU 41 Cb 0.47 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1e0h h GLU 41 CO 0.10 0.02 -0.36 1.49 -1.00 0.00 0.00 179.01 179.27 1e0h h GLU 42 N 0.03 -0.96 0.62 2.33 4.81 -0.46 -3.35 114.58 117.60 1e0h h GLU 42 Ca 0.65 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.92 1e0h h GLU 42 Cb 1.45 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1e0h h GLU 42 CO -0.86 -0.62 -0.44 1.98 -0.73 0.00 0.00 179.01 178.35 1e0h h MET 43 N -1.10 -0.98 -0.41 1.92 4.05 -0.86 -3.15 114.93 114.41 1e0h h MET 43 Ca -0.10 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1e0h h MET 43 Cb 0.78 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1e0h h MET 43 CO 0.17 -0.65 0.00 -2.37 0.23 0.00 0.00 176.91 174.28 1e0h n THR 44 N -5.56 0.54 -2.47 -0.77 5.66 -1.20 -4.08 114.28 106.40 1e0h n THR 44 Ca -0.13 -0.63 -0.17 0.00 -3.05 0.00 0.00 64.05 60.07 1e0h n THR 44 Cb 0.44 0.52 -0.01 0.00 -1.55 0.00 0.00 70.33 69.73 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 0.99 -2.10 -4.01 1.09 1.02 -1.19 -4.90 120.64 111.54 1e0h n GLU 45 Ca 0.18 0.80 -0.32 0.00 -0.02 0.00 0.00 57.16 57.80 1e0h n GLU 45 Cb 0.46 -5.45 -0.06 0.00 -0.02 0.00 0.00 31.44 26.38 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 -2.84 3.38 0.03 -0.32 2.46 -1.26 -5.07 115.29 111.67 1e0h s HIS 46 Ca 0.02 0.23 -0.19 0.00 0.47 0.00 0.00 55.06 55.59 1e0h s HIS 46 Cb -0.01 -1.74 -0.10 0.00 -0.13 0.00 0.00 32.58 30.60 1e0h s HIS 46 CO 0.03 0.58 1.28 -1.00 -2.47 0.00 0.00 174.74 173.15 1e0h h PRO 47 N 3.69 -0.60 -1.14 2.88 0.13 -1.93 -3.38 132.00 131.65 1e0h h PRO 47 Ca -0.48 0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1e0h h PRO 47 Cb 1.18 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 1e0h h PRO 47 CO 0.67 -0.40 0.16 0.43 -0.23 0.00 0.00 178.00 178.63 1e0h n SER 48 N -3.84 3.66 0.00 1.44 7.64 -1.26 -4.74 113.62 116.53 1e0h n SER 48 Ca -0.08 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1e0h n SER 48 Cb 0.26 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.26 -0.26 0.00 0.23 0.00 -1.26 0.13 105.19 104.29 1e0h n GLY 49 Ca 0.14 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.44 0.00 0.00 1.61 3.41 -1.26 -3.17 113.62 112.77 1e0h n SER 50 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1e0h n SER 50 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.24 0.60 -1.11 4.04 9.92 0.89 -1.47 116.55 128.18 1e0h n ASP 51 Ca 0.08 -0.90 0.01 0.00 -0.53 0.00 0.00 54.79 53.46 1e0h n ASP 51 Cb 0.11 0.12 0.13 0.00 -0.64 0.00 0.00 41.12 40.84 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 -0.12 2.53 0.00 0.64 -0.00 0.35 -2.88 117.00 117.52 1e0h n LEU 52 Ca 0.00 -3.52 0.00 0.00 -0.00 0.00 0.00 56.01 52.49 1e0h n LEU 52 Cb 0.06 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1e0h n LEU 52 CO 0.00 1.26 -0.36 -0.38 -0.00 0.00 0.00 177.39 177.92 1e0h n ILE 53 N -0.66 0.00 -0.18 1.47 2.08 -1.19 -4.74 119.36 116.15 1e0h n ILE 53 Ca 0.18 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1e0h n ILE 53 Cb 0.84 -1.15 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 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 -2.81 0.00 1.56 1.39 4.01 -0.78 -4.90 117.16 115.62 1e0h n TYR 54 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1e0h n TYR 54 Cb 0.36 0.00 0.56 0.00 -0.31 0.00 0.00 39.34 39.95 1e0h n TYR 54 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1e0h n TYR 55 N 0.00 0.05 0.00 -0.72 4.01 -0.54 -4.87 117.16 115.09 1e0h n TYR 55 Ca 0.00 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1e0h n TYR 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.06 2.81 0.00 -0.72 -0.04 -1.14 -4.88 135.00 130.97 1e0h n PRO 56 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1e0h n PRO 56 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.00 0.00 -3.65 0.54 4.81 -1.26 -4.97 118.16 113.63 1e0h n LYS 57 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1e0h n LYS 57 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1e0h n LYS 57 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1e0h s GLU 58 N -0.49 3.14 -0.07 1.64 2.02 -1.26 -3.58 118.70 120.10 1e0h s GLU 58 Ca 0.00 -3.14 0.00 0.00 0.02 0.00 0.00 54.97 51.85 1e0h s GLU 58 Cb 0.00 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.31 1e0h s GLU 58 CO 0.00 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1e0h n GLY 59 N 2.56 0.45 3.72 -1.39 0.00 -1.26 -5.06 105.19 104.21 1e0h n GLY 59 Ca 0.19 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.15 5.00 -1.00 1.61 -1.08 -1.24 -5.08 116.67 112.74 1e0h s ASP 60 Ca 0.00 -0.42 -0.16 0.00 -0.52 0.00 0.00 52.55 51.45 1e0h s ASP 60 Cb 0.00 -1.12 0.17 0.00 -1.46 0.00 0.00 42.92 40.51 1e0h s ASP 60 CO 0.00 0.01 1.15 -0.62 0.52 0.00 0.00 175.17 176.23 1e0h s ASP 61 N -3.53 6.82 -0.11 -0.34 2.15 -1.26 -4.13 116.67 116.27 1e0h s ASP 61 Ca 0.31 -2.51 0.17 0.00 0.43 0.00 0.00 52.55 50.95 1e0h s ASP 61 Cb -0.08 -2.36 0.65 0.00 -0.30 0.00 0.00 42.92 40.84 1e0h s ASP 61 CO 0.22 -0.85 1.57 -0.90 -0.17 0.00 0.00 175.17 175.03 1e0h n ASP 62 N 5.63 4.47 -4.48 -0.34 5.75 -1.26 -2.73 116.55 123.59 1e0h n ASP 62 Ca 0.26 -2.48 -0.37 0.00 -0.01 0.00 0.00 54.79 52.19 1e0h n ASP 62 Cb 0.46 -0.54 0.05 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.84 -0.94 0.03 -1.12 7.64 -1.26 -4.30 113.62 114.51 1e0h n SER 63 Ca 0.24 0.68 0.01 0.00 1.01 0.00 0.00 58.87 60.81 1e0h n SER 63 Cb 0.85 -1.21 0.07 0.00 -1.01 0.00 0.00 64.21 62.91 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 -0.42 0.02 -0.08 1.43 -0.02 -1.26 -0.18 135.00 134.50 1e0h n PRO 64 Ca 0.11 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 1e0h n PRO 64 Cb 0.48 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.50 1.81 -0.29 2.55 3.41 -1.26 -4.40 113.62 113.95 1e0h n SER 65 Ca -0.00 0.52 0.30 0.00 -0.26 0.00 0.00 58.87 59.43 1e0h n SER 65 Cb 0.14 -0.82 0.67 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.98 0.39 1.25 5.00 0.00 -0.75 0.56 103.07 108.55 1e0h h GLY 66 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 1e0h h GLY 66 CO 0.00 -0.04 -0.69 0.16 0.00 0.00 0.00 176.54 175.97 1e0h h ILE 67 N 0.13 1.29 0.00 2.60 3.07 -0.91 0.82 117.51 124.51 1e0h h ILE 67 Ca 0.54 -1.91 -0.05 0.00 1.55 0.00 0.00 64.86 64.99 1e0h h ILE 67 Cb 1.88 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 40.30 1e0h h ILE 67 CO -0.10 0.61 -0.26 0.58 -1.05 0.00 0.00 178.15 177.93 1e0h h VAL 68 N 0.54 0.55 -0.18 0.16 2.07 -1.27 0.13 116.25 118.25 1e0h h VAL 68 Ca -0.03 -1.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 1e0h h VAL 68 Cb 1.30 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1e0h h VAL 68 CO 0.14 0.25 -0.24 0.78 0.02 0.00 0.00 177.57 178.52 1e0h h ASN 69 N 0.00 0.31 -0.30 0.57 2.35 0.30 -1.96 115.58 116.86 1e0h h ASN 69 Ca -0.00 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.47 1e0h h ASN 69 Cb 0.91 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1e0h h ASN 69 CO 0.03 0.56 -0.54 0.74 -1.65 0.00 0.00 177.43 176.57 1e0h h THR 70 N 0.29 1.27 -0.43 2.81 2.02 0.34 -0.60 112.91 118.60 1e0h h THR 70 Ca 0.05 -1.72 0.08 0.00 0.77 0.00 0.00 66.41 65.59 1e0h h THR 70 Cb 0.58 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 1e0h h THR 70 CO 0.04 0.56 -0.03 0.58 0.37 0.00 0.00 175.52 177.05 1e0h h VAL 71 N 0.68 0.64 0.00 3.16 2.07 -1.35 -1.66 116.25 119.79 1e0h h VAL 71 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1e0h h VAL 71 Cb 1.15 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1e0h h VAL 71 CO 0.12 0.01 0.00 1.17 0.02 0.00 0.00 177.57 178.90 1e0h n LYS 72 N -5.24 0.08 0.00 1.57 3.00 -0.25 0.74 118.16 118.07 1e0h n LYS 72 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1e0h n LYS 72 Cb 0.23 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 33.96 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 -0.81 0.00 0.28 1.64 6.02 -0.83 -3.86 117.38 119.82 1e0h n GLN 73 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1e0h n GLN 73 Cb 0.01 -0.56 -0.05 0.00 1.02 0.00 0.00 30.24 30.66 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 -0.67 0.00 1.08 7.01 -0.80 0.15 115.95 122.73 1e0h h TRP 74 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1e0h h TRP 74 Cb 0.89 0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1e0h h TRP 74 CO 0.00 -0.42 0.08 0.54 -2.79 0.00 0.00 178.44 175.85 1e0h n ARG 75 N -4.01 0.06 -0.04 2.65 1.74 0.23 0.09 116.66 117.37 1e0h n ARG 75 Ca -0.09 0.52 0.03 0.00 -0.77 0.00 0.00 57.85 57.54 1e0h n ARG 75 Cb 0.28 -1.76 -0.17 0.00 -1.02 0.00 0.00 32.46 29.80 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 -1.56 2.33 -0.03 7.54 0.00 -1.08 0.55 120.51 128.26 1e0h n ALA 76 Ca -0.01 -0.81 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 1e0h n ALA 76 Cb 0.09 -0.54 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.43 1.21 0.91 0.00 0.00 0.51 -3.06 120.51 117.65 1e0h n ALA 77 Ca -0.14 -0.79 0.14 0.00 0.00 0.00 0.00 53.44 52.64 1e0h n ALA 77 Cb 0.78 -0.60 0.56 0.00 0.00 0.00 0.00 19.45 20.19 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 -3.24 0.20 -1.74 0.00 4.05 0.11 -4.94 115.26 109.71 1e0h n ASN 78 Ca -0.29 0.50 -0.19 0.00 0.45 0.00 0.00 54.58 55.04 1e0h n ASN 78 Cb 1.05 -0.55 -0.06 0.00 1.23 0.00 0.00 39.78 41.46 1e0h n ASN 78 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1e0h n GLY 79 N 1.46 1.05 0.00 8.20 0.00 -0.96 -4.89 105.19 110.05 1e0h n GLY 79 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.59 0.00 -3.64 1.61 4.76 0.19 -4.88 118.16 113.61 1e0h n LYS 80 Ca -0.21 0.74 -0.14 0.00 -2.87 0.00 0.00 58.31 55.84 1e0h n LYS 80 Cb 0.65 -1.27 -0.06 0.00 -1.84 0.00 0.00 35.03 32.50 1e0h n LYS 80 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1e0h s SER 81 N -2.94 -0.35 0.00 4.39 1.04 -1.26 -5.10 113.70 109.48 1e0h s SER 81 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1e0h s SER 81 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1e0h s SER 81 CO 0.00 -0.63 0.21 0.61 0.98 0.00 0.00 173.24 174.41 1e0h n GLY 82 N 0.66 -0.07 5.93 7.32 0.00 -1.26 -4.86 105.19 112.91 1e0h n GLY 82 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.22 -1.44 -1.72 1.61 3.72 -1.25 -4.91 117.46 113.24 1e0h n PHE 83 Ca 0.00 0.07 -0.30 0.00 -0.05 0.00 0.00 57.45 57.17 1e0h n PHE 83 Cb 0.06 -0.07 0.22 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.21 -0.08 0.00 -1.08 2.20 -0.97 -4.93 119.74 114.66 1e0h s LYS 84 Ca 0.00 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1e0h s LYS 84 Cb 0.00 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1e0h s LYS 84 CO 0.00 -2.90 0.00 1.04 -0.36 0.00 0.00 175.35 173.13 1e0h n GLN 85 N -4.10 0.00 0.00 4.03 6.02 -1.26 -3.79 117.38 118.28 1e0h n GLN 85 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1e0h n GLN 85 Cb 0.59 -0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.63 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46