#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 -4.79 120.64 121.42 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 -0.35 0.00 0.00 -1.01 0.00 0.00 31.44 30.08 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 0.42 0.00 0.00 -4.62 4.77 -1.26 -5.10 117.00 111.21 1e0h n LEU 3 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1e0h n LEU 3 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1e0h n LEU 3 CO 0.15 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.50 1e0h n LYS 4 N -0.76 0.00 0.12 3.23 5.02 -1.26 -4.86 118.16 119.65 1e0h n LYS 4 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1e0h n LYS 4 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1e0h n LYS 4 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1e0h h HIS 5 N 0.00 0.00 -2.64 2.13 3.86 -2.00 -3.45 115.15 113.05 1e0h h HIS 5 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1e0h h HIS 5 Cb 0.00 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.33 1e0h h HIS 5 CO 0.00 0.17 -0.74 -1.54 0.86 0.00 0.00 177.93 176.68 1e0h s SER 6 N -5.77 2.92 0.00 2.45 1.04 -1.26 -5.00 113.70 108.08 1e0h s SER 6 Ca 0.01 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 55.44 1e0h s SER 6 Cb 0.08 -0.19 0.20 0.00 0.10 0.00 0.00 66.02 66.21 1e0h s SER 6 CO 0.76 -0.12 0.59 0.00 0.98 0.00 0.00 173.24 175.45 1e0h n ILE 7 N -0.48 0.00 0.00 -1.02 3.06 -1.26 -2.89 119.36 116.78 1e0h n ILE 7 Ca -0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.18 1e0h n ILE 7 Cb 0.61 -0.81 0.00 0.00 0.54 0.00 0.00 39.64 39.98 1e0h n ILE 7 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1e0h n SER 8 N -0.88 0.00 0.16 9.51 3.41 -1.26 -4.18 113.62 120.39 1e0h n SER 8 Ca 0.03 -0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1e0h n SER 8 Cb 0.01 0.19 0.51 0.00 -0.26 0.00 0.00 64.21 64.66 1e0h n SER 8 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1e0h h ASP 9 N 0.00 0.00 -3.44 4.04 3.32 -1.83 -3.41 116.42 115.10 1e0h h ASP 9 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1e0h h ASP 9 Cb 0.00 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.21 1e0h h ASP 9 CO 0.00 0.00 -0.80 -0.72 -1.72 0.00 0.00 179.24 176.00 1e0h s TYR 10 N -3.35 1.16 1.36 4.55 -0.85 -1.26 -4.95 117.35 114.01 1e0h s TYR 10 Ca 0.05 -0.40 -0.20 0.00 -0.52 0.00 0.00 57.07 56.00 1e0h s TYR 10 Cb 0.09 -0.90 0.35 0.00 0.38 0.00 0.00 41.96 41.88 1e0h s TYR 10 CO 0.46 -0.24 0.90 0.25 -1.52 0.00 0.00 175.55 175.40 1e0h n THR 11 N 3.91 0.00 0.17 -3.49 -2.24 -1.26 -3.67 114.28 107.70 1e0h n THR 11 Ca -0.24 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.35 1e0h n THR 11 Cb 0.51 -0.98 0.30 0.00 -2.10 0.00 0.00 70.33 68.06 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 -3.27 0.00 0.00 -0.78 4.81 -1.28 -1.61 114.58 112.45 1e0h h GLU 12 Ca -0.50 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.57 1e0h h GLU 12 Cb 1.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1e0h h GLU 12 CO 0.35 0.45 -0.78 0.00 -0.73 0.00 0.00 179.01 178.30 1e0h h ALA 13 N 1.55 0.59 -1.00 2.92 0.00 -1.92 -0.74 119.26 120.66 1e0h h ALA 13 Ca -0.00 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.22 1e0h h ALA 13 Cb 0.80 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1e0h h ALA 13 CO 0.06 0.97 0.66 0.93 0.00 0.00 0.00 179.25 181.87 1e0h h GLU 14 N 0.00 1.25 -0.23 0.00 5.08 -1.81 0.01 114.58 118.89 1e0h h GLU 14 Ca -0.01 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1e0h h GLU 14 Cb 1.49 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1e0h h GLU 14 CO 0.10 0.83 -0.51 0.35 -1.00 0.00 0.00 179.01 178.78 1e0h h PHE 15 N 1.29 0.81 -0.63 4.33 3.57 -0.89 -1.70 116.94 123.72 1e0h h PHE 15 Ca 0.39 -0.28 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1e0h h PHE 15 Cb -0.05 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1e0h h PHE 15 CO -0.00 1.03 0.11 1.25 -2.23 0.00 0.00 178.31 178.47 1e0h h LEU 16 N 0.51 1.00 -1.32 0.59 5.85 -0.29 0.74 115.31 122.39 1e0h h LEU 16 Ca 0.02 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1e0h h LEU 16 Cb 1.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1e0h h LEU 16 CO 0.10 1.00 -0.28 0.06 -0.34 0.00 0.00 178.44 178.99 1e0h h GLN 17 N 0.96 0.09 -0.12 1.25 3.07 -1.03 -2.24 115.11 117.08 1e0h h GLN 17 Ca 0.19 -0.03 -0.12 0.00 0.09 0.00 0.00 58.65 58.79 1e0h h GLN 17 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1e0h h GLN 17 CO 0.01 0.37 -0.38 1.25 0.09 0.00 0.00 178.83 180.17 1e0h h LEU 18 N 0.08 0.55 -1.55 0.06 5.85 -0.17 0.16 115.31 120.29 1e0h h LEU 18 Ca 0.01 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.18 1e0h h LEU 18 Cb 0.55 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1e0h h LEU 18 CO 0.04 1.05 0.37 0.58 -0.34 0.00 0.00 178.44 180.15 1e0h h VAL 19 N 0.07 1.01 0.00 1.05 2.07 -0.84 -0.56 116.25 119.05 1e0h h VAL 19 Ca -0.01 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1e0h h VAL 19 Cb 1.00 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1e0h h VAL 19 CO 0.08 0.10 -0.19 0.74 0.02 0.00 0.00 177.57 178.32 1e0h h THR 20 N 0.56 0.39 0.00 2.57 2.02 -0.75 0.15 112.91 117.85 1e0h h THR 20 Ca 0.24 -1.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.09 1e0h h THR 20 Cb 0.23 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1e0h h THR 20 CO -0.07 0.19 -0.40 0.74 0.37 0.00 0.00 175.52 176.35 1e0h h THR 21 N 0.00 0.90 0.00 3.16 2.02 0.93 -0.40 112.91 119.52 1e0h h THR 21 Ca -0.00 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 1e0h h THR 21 Cb 0.93 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1e0h h THR 21 CO 0.03 0.39 -0.13 0.40 0.37 0.00 0.00 175.52 176.58 1e0h h ILE 22 N 0.00 0.80 0.00 3.11 2.04 -0.93 0.41 117.51 122.94 1e0h h ILE 22 Ca -0.00 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1e0h h ILE 22 Cb 0.96 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1e0h h ILE 22 CO 0.05 0.27 0.11 0.00 0.00 0.00 0.00 178.15 178.58 1e0h n ASN 24 N -1.81 0.61 -2.42 0.00 5.15 -0.16 -4.99 115.26 111.64 1e0h n ASN 24 Ca -0.01 -0.78 -0.11 0.00 -0.60 0.00 0.00 54.58 53.08 1e0h n ASN 24 Cb 0.12 1.01 -0.01 0.00 -0.53 0.00 0.00 39.78 40.37 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 -1.30 -0.78 -0.03 5.20 0.00 0.14 -4.78 120.51 118.95 1e0h n ALA 25 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1e0h n ALA 25 Cb 0.20 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.75 2.64 -3.06 0.00 2.03 -0.94 -4.60 116.55 110.87 1e0h n ASP 26 Ca -0.13 -1.60 -0.12 0.00 0.52 0.00 0.00 54.79 53.45 1e0h n ASP 26 Cb 0.60 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 40.44 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 1.42 0.00 -0.31 5.18 -2.24 -1.26 -4.97 114.28 112.10 1e0h n THR 27 Ca 0.00 -0.92 0.05 0.00 -2.27 0.00 0.00 64.05 60.91 1e0h n THR 27 Cb 0.28 0.07 0.20 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.42 0.68 0.00 3.42 4.64 -1.94 -3.46 113.55 117.30 1e0h h SER 28 Ca -0.16 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1e0h h SER 28 Cb 0.50 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1e0h h SER 28 CO 0.26 0.35 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 1e0h n SER 29 N -4.76 0.00 0.00 4.97 3.41 -1.26 -4.99 113.62 110.98 1e0h n SER 29 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1e0h n SER 29 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.00 0.00 -0.03 4.33 2.13 -1.26 -4.58 120.64 121.23 1e0h n GLU 30 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1e0h n GLU 30 Cb 0.00 -2.49 -0.02 0.00 0.27 0.00 0.00 31.44 29.20 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 0.28 -0.40 5.31 2.13 -1.26 -3.14 120.64 121.56 1e0h n GLU 31 Ca 0.00 0.11 0.34 0.00 0.66 0.00 0.00 57.16 58.27 1e0h n GLU 31 Cb 0.00 -0.99 0.65 0.00 0.27 0.00 0.00 31.44 31.37 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 -0.53 0.15 0.41 5.31 4.39 -1.97 0.23 114.58 122.57 1e0h h GLU 32 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1e0h h GLU 32 Cb 0.53 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1e0h h GLU 32 CO 0.00 0.10 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.68 1e0h h LEU 33 N 0.15 -0.47 -2.16 1.33 3.38 -1.90 0.85 115.31 116.49 1e0h h LEU 33 Ca 0.70 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.66 1e0h h LEU 33 Cb 2.29 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 43.15 1e0h h LEU 33 CO -0.23 -0.20 0.22 0.58 0.09 0.00 0.00 178.44 178.89 1e0h h VAL 34 N -0.73 0.57 0.18 1.22 2.07 -1.15 0.22 116.25 118.63 1e0h h VAL 34 Ca -0.06 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.16 1e0h h VAL 34 Cb 0.51 0.83 0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1e0h h VAL 34 CO 0.09 0.00 -1.44 0.50 0.02 0.00 0.00 177.57 176.75 1e0h h LYS 35 N 0.00 0.39 -0.24 1.57 3.64 0.05 -0.63 116.57 121.34 1e0h h LYS 35 Ca 0.11 -0.66 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 1e0h h LYS 35 Cb 0.54 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1e0h h LYS 35 CO -0.00 1.32 -0.33 -0.07 -2.27 0.00 0.00 179.45 178.09 1e0h h LEU 36 N -0.06 0.52 0.90 5.20 -0.00 0.13 0.12 115.31 122.12 1e0h h LEU 36 Ca -0.28 -0.21 -0.04 0.00 -0.00 0.00 0.00 57.88 57.35 1e0h h LEU 36 Cb 1.96 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 42.49 1e0h h LEU 36 CO 0.17 0.82 -0.43 0.58 -0.00 0.00 0.00 178.44 179.58 1e0h h VAL 37 N 0.43 0.11 -0.18 1.22 2.07 -0.62 -0.65 116.25 118.63 1e0h h VAL 37 Ca 0.05 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1e0h h VAL 37 Cb 0.79 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1e0h h VAL 37 CO 0.06 0.00 -0.33 0.74 0.02 0.00 0.00 177.57 178.07 1e0h h THR 38 N -1.21 1.28 -0.09 2.57 2.02 -0.89 0.17 112.91 116.76 1e0h h THR 38 Ca -0.12 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 1e0h h THR 38 Cb 0.93 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1e0h h THR 38 CO 0.20 0.42 0.05 -0.74 0.37 0.00 0.00 175.52 175.83 1e0h h HIS 39 N 0.32 0.12 -0.23 3.16 6.17 -0.79 -0.94 115.15 122.96 1e0h h HIS 39 Ca 0.04 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.17 1e0h h HIS 39 Cb 0.74 -0.04 -0.06 0.00 2.52 0.00 0.00 27.41 30.57 1e0h h HIS 39 CO 0.02 0.13 -0.15 0.35 0.71 0.00 0.00 177.93 178.99 1e0h h PHE 40 N 0.08 -0.36 -0.80 5.26 3.04 0.84 0.74 116.94 125.73 1e0h h PHE 40 Ca 0.03 0.03 0.17 0.00 3.98 0.00 0.00 57.97 62.18 1e0h h PHE 40 Cb 0.04 0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 1e0h h PHE 40 CO -0.05 -0.21 0.54 0.93 -2.02 0.00 0.00 178.31 177.49 1e0h h GLU 41 N -0.13 0.39 0.15 1.11 4.39 -0.62 -1.29 114.58 118.59 1e0h h GLU 41 Ca 0.13 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1e0h h GLU 41 Cb 0.33 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1e0h h GLU 41 CO -0.31 0.26 -0.07 1.49 -1.16 0.00 0.00 179.01 179.22 1e0h h GLU 42 N 0.41 -0.20 -0.48 2.33 4.22 -0.70 -3.41 114.58 116.75 1e0h h GLU 42 Ca 0.40 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.95 1e0h h GLU 42 Cb 0.97 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 1e0h h GLU 42 CO -0.13 -0.13 -0.08 0.52 -2.18 0.00 0.00 179.01 177.00 1e0h h MET 43 N -0.49 0.03 -0.06 1.92 2.86 0.31 -0.78 114.93 118.72 1e0h h MET 43 Ca -0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1e0h h MET 43 Cb 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1e0h h MET 43 CO 0.03 0.02 0.00 -2.37 1.06 0.00 0.00 176.91 175.66 1e0h n THR 44 N -5.31 0.07 -2.92 2.22 5.66 -0.95 -4.39 114.28 108.66 1e0h n THR 44 Ca 0.04 -0.23 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 1e0h n THR 44 Cb 0.26 0.25 0.01 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.02 -3.29 -4.14 1.09 1.02 -0.30 -4.89 120.64 110.10 1e0h n GLU 45 Ca 0.18 0.67 -0.33 0.00 -0.02 0.00 0.00 57.16 57.66 1e0h n GLU 45 Cb 0.29 -5.38 -0.07 0.00 -0.02 0.00 0.00 31.44 26.25 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 -2.91 3.23 0.10 -0.32 2.46 -1.26 -5.05 115.29 111.54 1e0h s HIS 46 Ca 0.22 0.17 -0.22 0.00 0.47 0.00 0.00 55.06 55.70 1e0h s HIS 46 Cb -0.11 -1.71 -0.06 0.00 -0.13 0.00 0.00 32.58 30.57 1e0h s HIS 46 CO 0.28 0.53 1.38 -1.35 -2.47 0.00 0.00 174.74 173.10 1e0h h PRO 47 N 4.11 -0.09 -1.19 2.88 0.11 -1.96 -3.36 132.00 132.50 1e0h h PRO 47 Ca -0.49 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 64.98 1e0h h PRO 47 Cb 1.18 0.02 -0.35 0.00 0.11 0.00 0.00 31.00 31.96 1e0h h PRO 47 CO 0.61 -0.06 0.14 0.43 -0.21 0.00 0.00 178.00 178.91 1e0h n SER 48 N -4.57 6.35 -0.11 -2.05 7.64 -1.26 -4.89 113.62 114.73 1e0h n SER 48 Ca 0.00 -3.78 -0.03 0.00 1.01 0.00 0.00 58.87 56.07 1e0h n SER 48 Cb 0.20 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.71 -2.50 0.00 0.23 0.00 -1.26 0.16 105.19 101.11 1e0h n GLY 49 Ca 0.52 0.66 0.07 0.00 0.00 0.00 0.00 46.02 47.26 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 -3.55 0.00 0.00 1.61 2.88 -1.26 -2.74 113.62 110.56 1e0h n SER 50 Ca 0.01 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 1e0h n SER 50 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1e0h n SER 50 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1e0h n ASP 51 N -0.88 0.25 -0.55 -3.46 5.75 0.51 -1.02 116.55 117.16 1e0h n ASP 51 Ca 0.10 -0.74 0.07 0.00 -0.01 0.00 0.00 54.79 54.21 1e0h n ASP 51 Cb 0.05 0.11 0.16 0.00 -1.03 0.00 0.00 41.12 40.41 1e0h n ASP 51 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1e0h n LEU 52 N -0.11 2.25 0.00 -2.12 -0.00 0.43 -2.78 117.00 114.67 1e0h n LEU 52 Ca 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 56.01 52.72 1e0h n LEU 52 Cb 0.11 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1e0h n LEU 52 CO 0.00 1.04 -0.40 -0.38 -0.00 0.00 0.00 177.39 177.65 1e0h n ILE 53 N -0.96 0.00 -0.39 1.47 2.08 -1.11 -4.70 119.36 115.76 1e0h n ILE 53 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1e0h n ILE 53 Cb 0.73 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 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 -2.67 0.00 1.27 1.39 4.01 -1.05 -4.89 117.16 115.22 1e0h n TYR 54 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1e0h n TYR 54 Cb 0.40 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.84 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 0.11 0.00 -0.72 4.01 -0.19 -4.91 117.16 115.47 1e0h n TYR 55 Ca 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 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 0.43 1.04 0.00 -0.72 -0.04 -1.12 -4.89 135.00 129.71 1e0h n PRO 56 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1e0h n PRO 56 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 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 -0.51 0.54 4.81 -0.95 -5.00 118.16 117.05 1e0h n LYS 57 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1e0h n LYS 57 Cb 0.00 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.29 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 3.22 0.00 1.64 4.07 -1.26 -3.62 120.64 124.69 1e0h n GLU 58 Ca 0.00 -1.87 0.00 0.00 -0.06 0.00 0.00 57.16 55.23 1e0h n GLU 58 Cb 0.00 -1.90 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 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 0.47 -0.40 2.73 8.31 0.00 -1.26 -5.13 105.19 109.91 1e0h n GLY 59 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 2.26 -0.67 1.61 1.01 -1.24 -5.07 116.67 114.58 1e0h s ASP 60 Ca 0.00 -0.48 -0.26 0.00 0.71 0.00 0.00 52.55 52.52 1e0h s ASP 60 Cb 0.00 -0.48 -0.07 0.00 1.01 0.00 0.00 42.92 43.39 1e0h s ASP 60 CO 0.00 -0.27 2.16 -0.62 0.21 0.00 0.00 175.17 176.66 1e0h s ASP 61 N 1.95 4.69 -0.01 0.27 2.15 -1.26 -2.25 116.67 122.21 1e0h s ASP 61 Ca 0.02 0.32 0.14 0.00 0.43 0.00 0.00 52.55 53.46 1e0h s ASP 61 Cb -0.15 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.36 1e0h s ASP 61 CO -0.07 -2.92 1.35 -0.90 -0.17 0.00 0.00 175.17 172.45 1e0h n ASP 62 N 15.23 3.27 -4.49 -0.34 5.75 -1.26 -2.73 116.55 131.98 1e0h n ASP 62 Ca 0.35 -2.03 -0.37 0.00 -0.01 0.00 0.00 54.79 52.72 1e0h n ASP 62 Cb 0.50 -0.32 0.06 0.00 -1.03 0.00 0.00 41.12 40.33 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 0.81 -0.86 0.00 -1.12 7.64 -1.26 -4.28 113.62 114.55 1e0h n SER 63 Ca 0.16 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1e0h n SER 63 Cb 0.50 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 -0.64 0.00 -0.08 1.43 -0.02 -1.26 -0.17 135.00 134.26 1e0h n PRO 64 Ca 0.11 0.15 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 1e0h n PRO 64 Cb 0.49 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.09 1.65 -0.30 2.55 3.41 -1.26 -4.47 113.62 114.12 1e0h n SER 65 Ca 0.00 0.28 0.20 0.00 -0.26 0.00 0.00 58.87 59.09 1e0h n SER 65 Cb 0.03 -0.65 0.48 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.78 1.14 0.96 5.00 0.00 -0.75 0.55 103.07 109.19 1e0h h GLY 66 Ca -0.25 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 1e0h h GLY 66 CO -0.15 -0.07 -0.36 0.16 0.00 0.00 0.00 176.54 176.12 1e0h h ILE 67 N 0.45 1.31 -0.03 2.60 3.07 -0.89 0.59 117.51 124.62 1e0h h ILE 67 Ca 0.54 -1.57 -0.08 0.00 1.55 0.00 0.00 64.86 65.30 1e0h h ILE 67 Cb 1.28 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 39.57 1e0h h ILE 67 CO -0.25 0.49 -0.35 0.58 -1.05 0.00 0.00 178.15 177.57 1e0h h VAL 68 N 0.37 1.26 -0.53 0.16 2.07 -1.62 0.67 116.25 118.63 1e0h h VAL 68 Ca 0.02 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1e0h h VAL 68 Cb 0.95 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1e0h h VAL 68 CO 0.08 0.36 0.34 -1.13 0.02 0.00 0.00 177.57 177.24 1e0h h ASN 69 N 0.05 0.62 -0.30 0.57 -0.73 0.64 0.90 115.58 117.32 1e0h h ASN 69 Ca 0.00 -0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.00 1e0h h ASN 69 Cb 0.65 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1e0h h ASN 69 CO 0.05 0.46 -0.40 0.74 -0.37 0.00 0.00 177.43 177.91 1e0h h THR 70 N 0.72 1.28 -0.36 -3.57 2.02 0.25 0.36 112.91 113.62 1e0h h THR 70 Ca 0.19 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.84 1e0h h THR 70 Cb -0.06 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1e0h h THR 70 CO -0.04 0.52 0.12 0.58 0.37 0.00 0.00 175.52 177.08 1e0h h VAL 71 N 0.70 0.89 0.00 3.16 2.07 -1.02 -1.05 116.25 121.00 1e0h h VAL 71 Ca 0.05 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1e0h h VAL 71 Cb 0.98 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1e0h h VAL 71 CO 0.09 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.02 1e0h n LYS 72 N -5.02 0.18 0.00 1.57 4.01 0.28 0.11 118.16 119.28 1e0h n LYS 72 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1e0h n LYS 72 Cb 0.13 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 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 -0.95 0.00 0.16 1.97 6.02 -1.04 -3.68 117.38 119.86 1e0h n GLN 73 Ca 0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1e0h n GLN 73 Cb 0.02 -0.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.67 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 -0.39 0.00 1.08 7.01 -0.40 0.28 115.95 123.54 1e0h h TRP 74 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1e0h h TRP 74 Cb 0.86 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1e0h h TRP 74 CO 0.00 -0.24 0.02 0.54 -2.79 0.00 0.00 178.44 175.96 1e0h n ARG 75 N -3.20 0.00 -0.06 2.65 1.74 0.30 -0.01 116.66 118.08 1e0h n ARG 75 Ca -0.05 0.10 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 1e0h n ARG 75 Cb 0.17 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 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 -1.05 1.78 -0.01 7.54 0.00 -1.10 0.10 120.51 127.78 1e0h n ALA 76 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 53.44 52.38 1e0h n ALA 76 Cb 0.02 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 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 0.78 0.31 0.00 0.00 0.00 0.10 -2.80 119.26 117.66 1e0h h ALA 77 Ca -0.33 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.33 1e0h h ALA 77 Cb 1.70 0.63 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1e0h h ALA 77 CO 0.02 1.03 0.00 -1.71 0.00 0.00 0.00 179.25 178.59 1e0h n ASN 78 N -3.81 0.43 -0.72 0.00 5.15 0.99 -4.91 115.26 112.39 1e0h n ASN 78 Ca -0.30 0.61 -0.09 0.00 -0.60 0.00 0.00 54.58 54.20 1e0h n ASN 78 Cb 0.93 -0.70 -0.04 0.00 -0.53 0.00 0.00 39.78 39.45 1e0h n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1e0h n GLY 79 N 0.02 1.07 0.30 8.20 0.00 -1.06 -4.86 105.19 108.85 1e0h n GLY 79 Ca 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 0.10 0.05 0.00 1.61 1.79 -0.55 -3.44 116.57 116.12 1e0h h LYS 80 Ca -0.19 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1e0h h LYS 80 Cb 0.76 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1e0h h LYS 80 CO 0.28 0.03 0.00 -1.13 -1.08 0.00 0.00 179.45 177.56 1e0h n SER 81 N -5.44 0.00 -2.04 0.86 3.41 0.16 -4.81 113.62 105.77 1e0h n SER 81 Ca 0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.54 1e0h n SER 81 Cb 0.49 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1e0h n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1e0h n GLY 82 N 0.00 0.62 0.00 5.00 0.00 -1.26 -4.97 105.19 104.59 1e0h n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.28 0.00 0.00 1.61 3.01 -1.26 -4.31 117.46 113.22 1e0h n PHE 83 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1e0h n PHE 83 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 1e0h n PHE 83 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1e0h n LYS 84 N 0.00 0.00 -0.32 -1.08 3.00 -1.24 -4.60 118.16 113.92 1e0h n LYS 84 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 1e0h n LYS 84 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 35.03 35.29 1e0h n LYS 84 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1e0h h GLN 85 N 0.00 0.68 0.00 1.64 4.20 -1.90 -3.46 115.11 116.27 1e0h h GLN 85 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1e0h h GLN 85 Cb 0.00 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1e0h h GLN 85 CO 0.00 0.45 0.00 0.41 -0.67 0.00 0.00 178.83 179.02