#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 0.71 0.00 3.17 3.07 -2.03 -3.48 114.58 116.02 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 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1e0h h GLU 2 CO 0.00 0.47 0.00 1.28 -1.40 0.00 0.00 179.01 179.36 1e0h n LEU 3 N -4.80 0.00 0.00 1.33 4.77 -1.26 -5.14 117.00 111.90 1e0h n LEU 3 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1e0h n LEU 3 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1e0h n LEU 3 CO 0.21 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.56 1e0h n LYS 4 N 0.00 -2.70 0.00 3.23 4.01 -1.26 -4.82 118.16 116.62 1e0h n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1e0h n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 4.77 0.00 -3.78 2.13 8.25 -1.26 -5.02 115.22 120.31 1e0h n HIS 5 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1e0h n HIS 5 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.59 -0.20 0.00 0.41 1.04 -1.26 -5.01 113.70 107.10 1e0h s SER 6 Ca 0.00 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1e0h s SER 6 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1e0h s SER 6 CO 0.00 -0.30 0.51 0.00 0.98 0.00 0.00 173.24 174.43 1e0h n ILE 7 N 1.94 0.52 0.00 -1.02 0.13 -1.26 -2.01 119.36 117.66 1e0h n ILE 7 Ca -0.18 0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.71 1e0h n ILE 7 Cb 0.57 -1.25 0.00 0.00 -0.84 0.00 0.00 39.64 38.12 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 -1.01 0.23 -0.00 9.51 3.41 -1.22 -3.96 113.62 120.59 1e0h n SER 8 Ca 0.00 -0.04 0.15 0.00 -0.26 0.00 0.00 58.87 58.73 1e0h n SER 8 Cb 0.12 0.12 0.86 0.00 -0.26 0.00 0.00 64.21 65.05 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 -0.15 0.01 -4.58 4.04 2.03 -0.85 -4.42 116.55 112.63 1e0h n ASP 9 Ca 0.00 -0.62 -0.27 0.00 0.52 0.00 0.00 54.79 54.42 1e0h n ASP 9 Cb 0.00 -0.13 -0.11 0.00 -0.72 0.00 0.00 41.12 40.17 1e0h n ASP 9 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1e0h s TYR 10 N -2.26 2.44 0.48 -0.67 -0.85 -1.23 -5.01 117.35 110.25 1e0h s TYR 10 Ca 0.39 -0.64 0.07 0.00 -0.52 0.00 0.00 57.07 56.37 1e0h s TYR 10 Cb 0.21 -1.63 0.01 0.00 0.38 0.00 0.00 41.96 40.94 1e0h s TYR 10 CO 0.41 0.45 0.41 0.95 -1.52 0.00 0.00 175.55 176.26 1e0h s THR 11 N -2.73 2.18 -0.01 -3.49 -4.23 -1.26 -2.56 115.64 103.55 1e0h s THR 11 Ca 0.34 -1.40 0.25 0.00 -1.18 0.00 0.00 61.69 59.71 1e0h s THR 11 Cb 0.08 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.61 1e0h s THR 11 CO 0.17 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.70 1e0h h GLU 12 N 0.87 0.00 0.09 3.99 5.08 -1.87 -1.88 114.58 120.85 1e0h h GLU 12 Ca -0.39 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.69 1e0h h GLU 12 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1e0h h GLU 12 CO 0.57 0.17 -1.41 0.00 -1.00 0.00 0.00 179.01 177.34 1e0h h ALA 13 N 1.83 0.31 -0.29 3.43 0.00 -1.89 -1.80 119.26 120.85 1e0h h ALA 13 Ca -0.00 -1.07 0.05 0.00 0.00 0.00 0.00 54.91 53.88 1e0h h ALA 13 Cb 0.81 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1e0h h ALA 13 CO 0.02 1.18 -0.49 1.49 0.00 0.00 0.00 179.25 181.45 1e0h h GLU 14 N 0.05 -0.43 0.00 0.00 4.22 -1.87 0.24 114.58 116.79 1e0h h GLU 14 Ca -0.19 0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.18 1e0h h GLU 14 Cb 1.96 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 1e0h h GLU 14 CO 0.15 -0.28 -0.49 0.35 -2.18 0.00 0.00 179.01 176.56 1e0h h PHE 15 N -0.44 0.00 -0.44 0.92 3.57 -1.42 -1.16 116.94 117.96 1e0h h PHE 15 Ca 0.08 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1e0h h PHE 15 Cb 0.62 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1e0h h PHE 15 CO -0.62 0.49 -0.05 1.25 -2.23 0.00 0.00 178.31 177.14 1e0h h LEU 16 N 0.00 0.82 -1.11 0.59 5.85 -0.94 0.52 115.31 121.04 1e0h h LEU 16 Ca -0.00 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1e0h h LEU 16 Cb 1.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1e0h h LEU 16 CO 0.06 0.96 0.08 -0.61 -0.34 0.00 0.00 178.44 178.59 1e0h h GLN 17 N 0.66 0.71 -0.23 1.25 4.15 -0.71 0.08 115.11 121.02 1e0h h GLN 17 Ca 0.12 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1e0h h GLN 17 Cb 0.57 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1e0h h GLN 17 CO 0.03 0.67 -0.18 1.25 -1.93 0.00 0.00 178.83 178.67 1e0h h LEU 18 N 0.68 0.56 -0.81 -2.39 7.12 -0.54 0.23 115.31 120.15 1e0h h LEU 18 Ca 0.15 -0.45 0.13 0.00 0.13 0.00 0.00 57.88 57.84 1e0h h LEU 18 Cb 0.31 -0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 40.19 1e0h h LEU 18 CO 0.00 0.90 0.40 0.58 -0.13 0.00 0.00 178.44 180.19 1e0h h VAL 19 N 0.23 0.75 0.00 1.05 2.07 -0.64 -0.54 116.25 119.16 1e0h h VAL 19 Ca 0.04 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1e0h h VAL 19 Cb 0.72 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1e0h h VAL 19 CO 0.05 0.11 -0.09 0.00 0.02 0.00 0.00 177.57 177.66 1e0h h THR 20 N 0.61 0.22 0.00 2.57 1.03 -0.08 0.20 112.91 117.45 1e0h h THR 20 Ca 0.43 -0.83 -0.10 0.00 -0.01 0.00 0.00 66.41 65.90 1e0h h THR 20 Cb 0.58 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 69.33 1e0h h THR 20 CO -0.34 0.09 -0.47 0.74 -0.01 0.00 0.00 175.52 175.52 1e0h h THR 21 N 0.00 1.26 0.03 0.00 2.02 0.10 -0.07 112.91 116.26 1e0h h THR 21 Ca -0.00 -1.67 -0.19 0.00 0.77 0.00 0.00 66.41 65.31 1e0h h THR 21 Cb 0.68 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1e0h h THR 21 CO 0.01 0.47 -1.02 0.40 0.37 0.00 0.00 175.52 175.74 1e0h h ILE 22 N 0.00 1.14 0.00 3.11 2.04 -0.69 0.43 117.51 123.54 1e0h h ILE 22 Ca -0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1e0h h ILE 22 Cb 0.88 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1e0h h ILE 22 CO 0.06 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.70 1e0h n ASN 24 N -1.41 1.81 -3.80 0.00 5.15 -0.04 -5.01 115.26 111.96 1e0h n ASN 24 Ca 0.00 -0.24 -0.30 0.00 -0.60 0.00 0.00 54.58 53.45 1e0h n ASN 24 Cb 0.01 1.36 0.00 0.00 -0.53 0.00 0.00 39.78 40.62 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 -1.70 -1.19 0.26 5.20 0.00 0.15 -4.83 120.51 118.40 1e0h n ALA 25 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1e0h n ALA 25 Cb 0.26 -3.66 0.00 0.00 0.00 0.00 0.00 19.45 16.05 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 -2.59 0.03 -1.67 0.00 2.03 -0.82 -4.66 116.55 108.87 1e0h n ASP 26 Ca 0.03 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1e0h n ASP 26 Cb 0.52 -0.02 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 -0.31 0.00 0.02 5.18 -2.24 -1.26 -4.99 114.28 110.68 1e0h n THR 27 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 1e0h n THR 27 Cb 0.01 -0.46 0.72 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.00 0.00 0.00 3.42 4.64 -1.92 -3.46 113.55 116.23 1e0h h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1e0h h SER 28 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1e0h h SER 28 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1e0h n SER 29 N -4.20 0.00 0.00 4.97 3.41 -1.26 -4.88 113.62 111.66 1e0h n SER 29 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1e0h n SER 29 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 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 -4.91 120.64 119.82 1e0h n GLU 30 Ca 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1e0h n GLU 30 Cb 0.00 -0.13 -0.01 0.00 -0.02 0.00 0.00 31.44 31.29 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 0.15 0.26 3.49 2.13 -1.26 -3.01 120.64 122.40 1e0h n GLU 31 Ca 0.00 0.06 0.13 0.00 0.66 0.00 0.00 57.16 58.00 1e0h n GLU 31 Cb 0.25 -0.71 0.67 0.00 0.27 0.00 0.00 31.44 31.92 1e0h n GLU 31 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1e0h h GLU 32 N -0.28 0.00 0.13 5.31 4.39 -1.95 0.14 114.58 122.33 1e0h h GLU 32 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1e0h h GLU 32 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1e0h h GLU 32 CO 0.00 0.00 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.72 1e0h h LEU 33 N 0.00 -0.15 -1.93 1.33 3.38 -1.91 0.37 115.31 116.39 1e0h h LEU 33 Ca 0.00 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 57.84 1e0h h LEU 33 Cb 0.51 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1e0h h LEU 33 CO 0.00 0.43 0.39 0.58 0.09 0.00 0.00 178.44 179.93 1e0h h VAL 34 N -0.98 0.75 0.06 1.22 2.07 -1.28 0.24 116.25 118.34 1e0h h VAL 34 Ca -0.02 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1e0h h VAL 34 Cb 0.42 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1e0h h VAL 34 CO 0.03 0.01 -0.43 0.50 0.02 0.00 0.00 177.57 177.70 1e0h h LYS 35 N 0.07 0.19 -0.08 1.57 3.11 -0.75 -1.47 116.57 119.21 1e0h h LYS 35 Ca 0.26 -0.28 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 1e0h h LYS 35 Cb 0.96 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 1e0h h LYS 35 CO -0.02 1.09 -0.33 -0.07 -2.81 0.00 0.00 179.45 177.32 1e0h h LEU 36 N -0.57 0.15 0.33 5.20 3.38 0.27 0.40 115.31 124.47 1e0h h LEU 36 Ca -0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1e0h h LEU 36 Cb 1.29 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1e0h h LEU 36 CO 0.08 0.48 -0.31 0.58 0.09 0.00 0.00 178.44 179.36 1e0h h VAL 37 N 0.13 0.36 -0.35 1.22 2.07 -0.50 -1.47 116.25 117.71 1e0h h VAL 37 Ca 0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 1e0h h VAL 37 Cb 0.65 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1e0h h VAL 37 CO 0.05 0.00 -0.20 0.74 0.02 0.00 0.00 177.57 178.17 1e0h h THR 38 N -0.66 1.26 -0.26 2.57 2.02 -0.73 0.11 112.91 117.23 1e0h h THR 38 Ca -0.02 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 65.91 1e0h h THR 38 Cb 0.59 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1e0h h THR 38 CO -0.05 0.42 0.17 -0.74 0.37 0.00 0.00 175.52 175.69 1e0h h HIS 39 N 0.59 0.30 0.54 3.16 6.17 -0.06 0.15 115.15 125.99 1e0h h HIS 39 Ca 0.09 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.15 1e0h h HIS 39 Cb 0.67 -0.10 0.01 0.00 2.52 0.00 0.00 27.41 30.50 1e0h h HIS 39 CO 0.03 0.19 -0.26 0.35 0.71 0.00 0.00 177.93 178.95 1e0h h PHE 40 N 0.32 -0.67 -1.17 5.26 3.04 0.29 0.06 116.94 124.08 1e0h h PHE 40 Ca 0.10 -0.02 0.34 0.00 3.98 0.00 0.00 57.97 62.37 1e0h h PHE 40 Cb 0.01 0.22 -0.06 0.00 2.56 0.00 0.00 35.95 38.68 1e0h h PHE 40 CO -0.00 -0.35 0.83 0.93 -2.02 0.00 0.00 178.31 177.70 1e0h h GLU 41 N -0.93 0.05 0.00 1.11 5.08 -0.79 -2.03 114.58 117.07 1e0h h GLU 41 Ca -0.07 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1e0h h GLU 41 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1e0h h GLU 41 CO 0.12 0.04 -0.30 1.49 -1.00 0.00 0.00 179.01 179.36 1e0h h GLU 42 N 0.06 0.00 0.73 2.33 4.22 -0.63 -3.41 114.58 117.87 1e0h h GLU 42 Ca 0.57 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.98 1e0h h GLU 42 Cb 2.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.43 1e0h h GLU 42 CO -0.05 0.50 -0.36 0.52 -2.18 0.00 0.00 179.01 177.44 1e0h h MET 43 N -1.00 -0.95 -0.05 1.92 2.86 -0.22 -3.25 114.93 114.23 1e0h h MET 43 Ca -0.06 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1e0h h MET 43 Cb 0.63 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1e0h h MET 43 CO -0.04 -0.63 0.00 -2.37 1.06 0.00 0.00 176.91 174.93 1e0h n THR 44 N -4.67 0.06 -1.78 2.22 5.66 -1.14 -4.25 114.28 110.39 1e0h n THR 44 Ca -0.12 -0.08 -0.14 0.00 -3.05 0.00 0.00 64.05 60.66 1e0h n THR 44 Cb 0.39 -0.08 -0.04 0.00 -1.55 0.00 0.00 70.33 69.05 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 -0.46 -1.59 -3.38 1.09 1.02 -1.23 -4.90 120.64 111.19 1e0h n GLU 45 Ca 0.10 0.79 -0.38 0.00 -0.02 0.00 0.00 57.16 57.64 1e0h n GLU 45 Cb 0.09 -5.18 -0.06 0.00 -0.02 0.00 0.00 31.44 26.28 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 -2.39 3.67 0.10 -0.32 2.46 -1.26 -5.00 115.29 112.55 1e0h s HIS 46 Ca 0.00 1.03 -0.20 0.00 0.47 0.00 0.00 55.06 56.36 1e0h s HIS 46 Cb 0.00 -2.43 -0.04 0.00 -0.13 0.00 0.00 32.58 29.97 1e0h s HIS 46 CO 0.00 0.46 1.10 -2.30 -2.47 0.00 0.00 174.74 171.53 1e0h n PRO 47 N 2.44 -0.28 -2.32 2.88 -0.02 -1.26 -3.85 135.00 132.60 1e0h n PRO 47 Ca -0.11 1.08 -0.33 0.00 -2.02 0.00 0.00 63.50 62.12 1e0h n PRO 47 Cb 0.52 -1.59 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 1e0h n PRO 47 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1e0h n SER 48 N -4.61 5.97 0.00 2.55 3.41 -1.26 -4.93 113.62 114.74 1e0h n SER 48 Ca 0.01 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1e0h n SER 48 Cb 0.17 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1e0h n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e0h n GLY 49 N -0.45 -2.36 0.00 5.00 0.00 -1.25 0.16 105.19 106.29 1e0h n GLY 49 Ca 0.45 0.48 0.10 0.00 0.00 0.00 0.00 46.02 47.04 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 -1.71 0.00 -0.05 1.61 7.64 -1.26 -3.44 113.62 116.41 1e0h n SER 50 Ca 0.00 -0.23 0.02 0.00 1.01 0.00 0.00 58.87 59.67 1e0h n SER 50 Cb 0.00 -0.17 0.03 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.17 1.67 -2.67 6.43 8.00 0.53 -3.14 116.55 126.19 1e0h n ASP 51 Ca 0.11 -2.10 -0.06 0.00 0.71 0.00 0.00 54.79 53.45 1e0h n ASP 51 Cb 0.12 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.61 2.23 0.00 0.64 -0.00 0.42 -4.13 117.00 115.55 1e0h n LEU 52 Ca 0.04 -3.45 0.00 0.00 -0.00 0.00 0.00 56.01 52.59 1e0h n LEU 52 Cb 0.40 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 1e0h n LEU 52 CO 0.00 1.31 -0.16 -0.38 -0.00 0.00 0.00 177.39 178.15 1e0h n ILE 53 N -0.56 0.00 0.00 1.47 2.08 -1.24 -4.68 119.36 116.42 1e0h n ILE 53 Ca 0.15 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.46 1e0h n ILE 53 Cb 0.83 -0.55 0.00 0.00 -0.75 0.00 0.00 39.64 39.17 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 -2.31 0.00 -0.01 1.39 4.01 -1.19 -4.95 117.16 114.10 1e0h n TYR 54 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1e0h n TYR 54 Cb 0.16 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 1e0h n TYR 54 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1e0h h TYR 55 N 0.00 0.12 -1.93 -0.72 5.03 -1.82 -3.43 116.97 114.22 1e0h h TYR 55 Ca 0.00 -0.01 -0.64 0.00 2.58 0.00 0.00 58.73 60.66 1e0h h TYR 55 Cb 0.00 -0.03 0.10 0.00 1.55 0.00 0.00 36.73 38.35 1e0h h TYR 55 CO 0.00 0.28 0.02 -0.35 -1.32 0.00 0.00 178.16 176.79 1e0h n PRO 56 N -4.92 0.94 0.00 1.82 -0.04 -1.26 -4.80 135.00 126.75 1e0h n PRO 56 Ca -0.06 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1e0h n PRO 56 Cb 0.14 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 1.11 0.00 -3.01 0.54 4.81 -1.15 -4.53 118.16 115.93 1e0h n LYS 57 Ca 0.13 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.13 1e0h n LYS 57 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 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 -2.19 3.51 -1.35 1.64 2.13 -1.26 -3.27 120.64 119.85 1e0h n GLU 58 Ca 0.00 -4.04 -0.12 0.00 0.66 0.00 0.00 57.16 53.66 1e0h n GLU 58 Cb 0.00 -2.86 -0.05 0.00 0.27 0.00 0.00 31.44 28.80 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 3.40 1.22 3.60 8.31 0.00 -1.26 -5.01 105.19 115.45 1e0h n GLY 59 Ca 0.33 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.58 6.25 -1.17 1.61 -1.08 -1.20 -5.00 116.67 113.49 1e0h s ASP 60 Ca 0.00 0.25 -0.22 0.00 -0.52 0.00 0.00 52.55 52.07 1e0h s ASP 60 Cb 0.00 -2.21 -0.03 0.00 -1.46 0.00 0.00 42.92 39.23 1e0h s ASP 60 CO 0.00 -0.19 1.84 -0.62 0.52 0.00 0.00 175.17 176.72 1e0h s ASP 61 N 1.65 5.69 -0.02 -0.34 2.15 -1.26 -2.94 116.67 121.60 1e0h s ASP 61 Ca 0.15 -1.74 0.12 0.00 0.43 0.00 0.00 52.55 51.51 1e0h s ASP 61 Cb -0.16 -2.58 0.38 0.00 -0.30 0.00 0.00 42.92 40.26 1e0h s ASP 61 CO 0.10 -2.36 1.29 -0.90 -0.17 0.00 0.00 175.17 173.13 1e0h n ASP 62 N 12.15 2.39 -4.53 -0.34 5.75 -1.26 -2.29 116.55 128.42 1e0h n ASP 62 Ca 0.44 -2.07 -0.37 0.00 -0.01 0.00 0.00 54.79 52.79 1e0h n ASP 62 Cb 0.47 -0.32 0.07 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.66 -0.35 0.13 -1.12 7.64 -1.26 -4.27 113.62 115.05 1e0h n SER 63 Ca 0.14 0.67 0.06 0.00 1.01 0.00 0.00 58.87 60.75 1e0h n SER 63 Cb 0.40 -1.30 0.31 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.01 0.08 -0.07 1.43 -0.02 -1.26 -0.21 135.00 133.95 1e0h n PRO 64 Ca 0.12 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 62.08 1e0h n PRO 64 Cb 0.49 -1.97 -0.02 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 -1.92 1.66 -0.35 2.55 3.41 -1.26 -4.38 113.62 113.33 1e0h n SER 65 Ca -0.01 0.54 0.26 0.00 -0.26 0.00 0.00 58.87 59.40 1e0h n SER 65 Cb 0.24 -0.81 0.54 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.90 1.30 0.95 5.00 0.00 -0.75 0.56 103.07 109.23 1e0h h GLY 66 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1e0h h GLY 66 CO 0.00 -0.22 -0.03 0.16 0.00 0.00 0.00 176.54 176.45 1e0h h ILE 67 N 0.32 1.27 0.00 2.60 3.07 -0.68 0.63 117.51 124.71 1e0h h ILE 67 Ca 0.66 -1.06 -0.02 0.00 1.55 0.00 0.00 64.86 65.98 1e0h h ILE 67 Cb 1.76 1.18 -0.00 0.00 -0.27 0.00 0.00 36.82 39.49 1e0h h ILE 67 CO -0.35 0.36 -0.11 0.58 -1.05 0.00 0.00 178.15 177.58 1e0h h VAL 68 N 0.52 0.24 -0.18 0.16 2.07 -1.18 0.02 116.25 117.89 1e0h h VAL 68 Ca 0.11 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.62 1e0h h VAL 68 Cb 0.52 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1e0h h VAL 68 CO 0.03 0.10 -0.35 0.78 0.02 0.00 0.00 177.57 178.15 1e0h h ASN 69 N 0.00 0.40 -0.14 0.57 2.35 0.64 -1.30 115.58 118.10 1e0h h ASN 69 Ca -0.00 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.43 1e0h h ASN 69 Cb 0.73 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1e0h h ASN 69 CO 0.01 0.73 -0.47 0.74 -1.65 0.00 0.00 177.43 176.79 1e0h h THR 70 N 0.33 1.30 -0.28 2.81 2.02 0.22 0.45 112.91 119.76 1e0h h THR 70 Ca 0.04 -1.67 0.03 0.00 0.77 0.00 0.00 66.41 65.58 1e0h h THR 70 Cb 0.78 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1e0h h THR 70 CO 0.06 0.53 0.08 0.58 0.37 0.00 0.00 175.52 177.14 1e0h h VAL 71 N 0.56 0.90 0.00 3.16 2.07 -1.32 -0.66 116.25 120.96 1e0h h VAL 71 Ca 0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1e0h h VAL 71 Cb 1.03 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1e0h h VAL 71 CO 0.10 0.04 0.00 0.29 0.02 0.00 0.00 177.57 178.01 1e0h n LYS 72 N -5.06 0.08 0.01 1.57 4.01 0.08 0.67 118.16 119.52 1e0h n LYS 72 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1e0h n LYS 72 Cb 0.11 -1.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 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 -0.80 0.00 0.45 1.97 1.13 -0.80 -3.73 117.38 115.60 1e0h n GLN 73 Ca 0.01 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.88 1e0h n GLN 73 Cb 0.01 -0.45 -0.09 0.00 0.11 0.00 0.00 30.24 29.81 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 0.00 -1.23 0.00 1.08 7.01 -0.92 0.41 115.95 122.31 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 0.82 0.43 0.00 0.00 -2.10 0.00 0.00 29.16 28.31 1e0h h TRP 74 CO 0.00 -0.72 0.00 0.54 -2.79 0.00 0.00 178.44 175.47 1e0h n ARG 75 N -5.44 0.05 -0.06 2.65 1.74 0.21 -0.19 116.66 115.62 1e0h n ARG 75 Ca -0.15 0.22 -0.03 0.00 -0.77 0.00 0.00 57.85 57.12 1e0h n ARG 75 Cb 0.49 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.25 1.88 -0.02 7.54 0.00 -0.94 0.20 120.51 127.92 1e0h n ALA 76 Ca 0.02 -0.86 -0.21 0.00 0.00 0.00 0.00 53.44 52.39 1e0h n ALA 76 Cb 0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.44 0.95 0.28 0.00 0.00 0.14 -2.50 120.51 116.94 1e0h n ALA 77 Ca -0.19 -0.65 0.17 0.00 0.00 0.00 0.00 53.44 52.76 1e0h n ALA 77 Cb 0.85 -0.59 0.80 0.00 0.00 0.00 0.00 19.45 20.52 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 -0.01 0.00 -2.24 0.00 -0.00 -0.76 -3.47 115.58 109.10 1e0h h ASN 78 Ca -0.44 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.53 1e0h h ASN 78 Cb 1.97 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 40.27 1e0h h ASN 78 CO 0.04 0.05 -0.41 0.61 -0.00 0.00 0.00 177.43 177.73 1e0h n GLY 79 N -0.42 -0.22 0.33 1.57 0.00 -1.04 -4.87 105.19 100.54 1e0h n GLY 79 Ca -0.01 -0.21 0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 0.07 0.00 1.61 1.79 -0.46 -3.46 116.57 116.12 1e0h h LYS 80 Ca -0.38 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1e0h h LYS 80 Cb 1.27 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1e0h h LYS 80 CO 0.45 0.04 0.00 0.43 -1.08 0.00 0.00 179.45 179.30 1e0h n SER 81 N -5.36 0.00 -0.89 0.86 7.64 -0.88 -4.86 113.62 110.13 1e0h n SER 81 Ca 0.25 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 1e0h n SER 81 Cb 0.84 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.74 0.00 0.23 0.00 -1.26 -5.00 105.19 99.90 1e0h n GLY 82 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.16 0.00 -4.14 1.61 3.01 -1.25 -3.41 117.46 110.11 1e0h n PHE 83 Ca -0.11 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.19 1e0h n PHE 83 Cb 0.42 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.84 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 3.70 1.88 0.08 -1.08 2.20 -1.06 -4.80 119.74 120.66 1e0h s LYS 84 Ca 0.00 -1.84 0.00 0.00 -0.36 0.00 0.00 55.97 53.77 1e0h s LYS 84 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1e0h s LYS 84 CO 0.00 -0.76 0.00 1.04 -0.36 0.00 0.00 175.35 175.27 1e0h n GLN 85 N -0.59 0.00 0.00 4.03 6.02 -1.26 -3.55 117.38 122.03 1e0h n GLN 85 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1e0h n GLN 85 Cb 0.62 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.58 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46