#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 3.17 4.71 -1.26 -5.11 120.64 122.15 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 0.00 -2.27 -0.00 3.23 4.01 -1.26 -4.92 118.16 116.96 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 -0.01 0.00 -0.51 0.00 0.00 35.03 34.51 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 6.69 0.00 -3.76 2.13 8.25 -1.26 -5.05 115.22 122.22 1e0h n HIS 5 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1e0h n HIS 5 Cb 0.00 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.21 -0.16 0.00 0.41 1.04 -1.26 -5.00 113.70 106.51 1e0h s SER 6 Ca -0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1e0h s SER 6 Cb 0.01 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1e0h s SER 6 CO 0.05 -0.53 0.42 0.00 0.98 0.00 0.00 173.24 174.15 1e0h n ILE 7 N 0.93 0.00 0.00 -1.02 3.06 -1.26 -2.74 119.36 118.34 1e0h n ILE 7 Ca -0.20 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 1e0h n ILE 7 Cb 0.58 -0.92 0.00 0.00 0.54 0.00 0.00 39.64 39.84 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 -0.92 0.23 0.00 9.51 3.41 -1.26 -3.88 113.62 120.72 1e0h n SER 8 Ca 0.00 -0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1e0h n SER 8 Cb 0.00 0.09 0.59 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.11 0.00 -4.61 4.04 2.03 -1.11 -4.29 116.55 112.50 1e0h n ASP 9 Ca 0.00 0.09 -0.24 0.00 0.52 0.00 0.00 54.79 55.16 1e0h n ASP 9 Cb 0.00 -0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 39.97 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 -2.69 2.56 0.58 -0.67 -0.85 -1.25 -5.02 117.35 110.01 1e0h s TYR 10 Ca 0.20 -0.34 -0.04 0.00 -0.52 0.00 0.00 57.07 56.37 1e0h s TYR 10 Cb 0.16 -1.31 0.12 0.00 0.38 0.00 0.00 41.96 41.32 1e0h s TYR 10 CO 0.39 0.56 0.79 0.25 -1.52 0.00 0.00 175.55 176.02 1e0h n THR 11 N -0.88 0.00 0.08 -3.49 -2.24 -1.26 -2.98 114.28 103.50 1e0h n THR 11 Ca -0.05 -0.98 -0.12 0.00 -2.27 0.00 0.00 64.05 60.64 1e0h n THR 11 Cb 0.61 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.23 0.00 -0.78 4.81 -1.82 -2.26 114.58 114.30 1e0h h GLU 12 Ca -0.26 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1e0h h GLU 12 Cb 0.86 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1e0h h GLU 12 CO 0.24 -0.15 -0.14 0.00 -0.73 0.00 0.00 179.01 178.23 1e0h h ALA 13 N 0.67 1.04 -0.12 2.92 0.00 -1.91 0.45 119.26 122.32 1e0h h ALA 13 Ca 0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1e0h h ALA 13 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1e0h h ALA 13 CO -0.08 0.17 -0.34 1.49 0.00 0.00 0.00 179.25 180.49 1e0h h GLU 14 N 0.00 0.43 -0.06 0.00 4.81 -1.93 -0.98 114.58 116.85 1e0h h GLU 14 Ca -0.00 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 58.75 1e0h h GLU 14 Cb 0.61 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1e0h h GLU 14 CO 0.02 0.93 -0.71 0.35 -0.73 0.00 0.00 179.01 178.86 1e0h h PHE 15 N 0.01 0.39 -0.69 0.92 3.57 -0.68 -2.82 116.94 117.65 1e0h h PHE 15 Ca -0.01 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 1e0h h PHE 15 Cb 0.96 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1e0h h PHE 15 CO 0.11 0.91 0.15 1.25 -2.23 0.00 0.00 178.31 178.49 1e0h h LEU 16 N 0.20 1.07 -0.98 0.59 5.85 -0.08 0.69 115.31 122.65 1e0h h LEU 16 Ca -0.02 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.57 1e0h h LEU 16 Cb 1.27 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 1e0h h LEU 16 CO 0.11 1.04 0.60 -0.61 -0.34 0.00 0.00 178.44 179.24 1e0h h GLN 17 N 1.05 0.92 -0.08 1.25 4.15 -1.19 0.58 115.11 121.79 1e0h h GLN 17 Ca 0.21 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.43 1e0h h GLN 17 Cb 0.40 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.89 1e0h h GLN 17 CO 0.01 0.61 -0.53 1.25 -1.93 0.00 0.00 178.83 178.23 1e0h h LEU 18 N 0.94 0.61 -0.69 -2.39 5.85 -0.74 0.47 115.31 119.36 1e0h h LEU 18 Ca 0.49 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.63 1e0h h LEU 18 Cb 0.50 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.28 1e0h h LEU 18 CO -0.27 1.18 0.35 1.62 -0.34 0.00 0.00 178.44 180.98 1e0h h VAL 19 N 0.09 0.88 0.00 1.05 3.04 -0.36 -1.27 116.25 119.69 1e0h h VAL 19 Ca -0.04 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 1e0h h VAL 19 Cb 1.19 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1e0h h VAL 19 CO 0.11 0.11 -0.10 0.74 -1.01 0.00 0.00 177.57 177.42 1e0h h THR 20 N 0.61 0.23 -0.00 3.17 2.02 -0.26 0.16 112.91 118.85 1e0h h THR 20 Ca 0.33 -0.83 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1e0h h THR 20 Cb 0.31 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1e0h h THR 20 CO -0.24 0.09 -0.64 0.74 0.37 0.00 0.00 175.52 175.84 1e0h h THR 21 N 0.00 1.46 0.07 3.16 2.02 0.11 0.73 112.91 120.46 1e0h h THR 21 Ca -0.00 -2.18 -0.24 0.00 0.77 0.00 0.00 66.41 64.76 1e0h h THR 21 Cb 0.67 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1e0h h THR 21 CO 0.01 0.62 -1.28 0.40 0.37 0.00 0.00 175.52 175.65 1e0h h ILE 22 N 0.01 1.04 0.00 3.11 2.04 -0.89 0.53 117.51 123.35 1e0h h ILE 22 Ca -0.01 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1e0h h ILE 22 Cb 1.13 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1e0h h ILE 22 CO 0.08 0.61 0.00 0.00 0.00 0.00 0.00 178.15 178.84 1e0h n ASN 24 N -1.19 0.97 -2.39 0.00 5.15 0.25 -4.99 115.26 113.05 1e0h n ASN 24 Ca 0.01 -0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 53.42 1e0h n ASN 24 Cb 0.01 1.02 -0.01 0.00 -0.53 0.00 0.00 39.78 40.28 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 -1.17 -0.76 0.00 5.20 0.00 0.18 -4.81 120.51 119.16 1e0h n ALA 25 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1e0h n ALA 25 Cb 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.73 0.00 -2.31 0.00 2.03 -0.78 -4.34 116.55 109.42 1e0h n ASP 26 Ca -0.14 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.10 1e0h n ASP 26 Cb 0.60 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.66 0.00 0.28 5.18 -2.24 -1.26 -5.00 114.28 111.90 1e0h n THR 27 Ca 0.00 -0.55 0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1e0h n THR 27 Cb 0.00 0.15 0.80 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.33 0.00 0.00 3.42 4.64 -1.95 -3.46 113.55 116.53 1e0h h SER 28 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1e0h h SER 28 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1e0h h SER 28 CO 0.14 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.90 1e0h n SER 29 N -3.07 0.00 0.00 4.97 7.64 -1.26 -4.78 113.62 117.12 1e0h n SER 29 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1e0h n SER 29 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.85 0.00 -0.01 1.43 2.13 -1.26 -4.94 120.64 117.14 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 -0.04 -0.01 0.00 0.27 0.00 0.00 31.44 31.67 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 0.12 -0.30 5.31 0.00 -1.26 -3.13 120.64 121.38 1e0h n GLU 31 Ca 0.00 0.05 0.35 0.00 0.00 0.00 0.00 57.16 57.56 1e0h n GLU 31 Cb 0.08 -0.58 0.73 0.00 0.00 0.00 0.00 31.44 31.67 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 -0.23 0.00 0.30 5.31 4.39 -1.95 0.12 114.58 122.52 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 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1e0h h GLU 32 CO 0.00 0.00 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.64 1e0h h LEU 33 N 0.00 -0.34 -2.75 1.33 3.38 -1.93 0.86 115.31 115.87 1e0h h LEU 33 Ca 0.55 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1e0h h LEU 33 Cb 2.33 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 43.16 1e0h h LEU 33 CO -0.01 -0.06 -0.00 0.58 0.09 0.00 0.00 178.44 179.05 1e0h h VAL 34 N -0.63 0.23 0.00 1.22 2.07 -1.09 -1.05 116.25 117.00 1e0h h VAL 34 Ca -0.04 -0.01 -0.34 0.00 0.82 0.00 0.00 66.70 67.13 1e0h h VAL 34 Cb 0.45 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1e0h h VAL 34 CO 0.07 0.00 -2.29 1.17 0.02 0.00 0.00 177.57 176.54 1e0h n LYS 35 N -3.42 0.84 0.09 1.57 4.81 0.28 -2.96 118.16 119.36 1e0h n LYS 35 Ca -0.03 0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1e0h n LYS 35 Cb 0.08 -1.47 0.20 0.00 0.02 0.00 0.00 35.03 33.86 1e0h n LYS 35 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1e0h h LEU 36 N 0.00 0.27 -0.12 3.14 3.38 0.76 0.12 115.31 122.87 1e0h h LEU 36 Ca -0.51 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.39 1e0h h LEU 36 Cb 1.99 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.61 1e0h h LEU 36 CO -0.02 0.68 -0.26 0.58 0.09 0.00 0.00 178.44 179.52 1e0h h VAL 37 N 0.21 0.39 0.05 1.22 2.07 -1.29 -1.58 116.25 117.32 1e0h h VAL 37 Ca 0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 1e0h h VAL 37 Cb 0.87 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1e0h h VAL 37 CO 0.07 0.00 -1.05 0.74 0.02 0.00 0.00 177.57 177.35 1e0h h THR 38 N -0.33 1.59 -0.97 2.57 2.02 -1.28 -0.81 112.91 115.70 1e0h h THR 38 Ca 0.10 -3.11 0.08 0.00 0.77 0.00 0.00 66.41 64.24 1e0h h THR 38 Cb 0.48 2.79 -0.07 0.00 -1.74 0.00 0.00 68.15 69.61 1e0h h THR 38 CO -0.31 0.90 0.62 -0.74 0.37 0.00 0.00 175.52 176.36 1e0h h HIS 39 N 0.05 1.14 0.76 3.16 6.17 -0.73 0.33 115.15 126.03 1e0h h HIS 39 Ca -0.06 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.02 1e0h h HIS 39 Cb 1.77 -0.37 -0.00 0.00 2.52 0.00 0.00 27.41 31.33 1e0h h HIS 39 CO 0.03 0.56 -0.43 0.35 0.71 0.00 0.00 177.93 179.15 1e0h h PHE 40 N 1.10 -1.15 -1.15 5.26 3.04 -0.14 -0.83 116.94 123.06 1e0h h PHE 40 Ca 0.43 -0.02 0.32 0.00 3.98 0.00 0.00 57.97 62.69 1e0h h PHE 40 Cb 0.23 0.40 -0.08 0.00 2.56 0.00 0.00 35.95 39.06 1e0h h PHE 40 CO -0.01 -0.67 0.78 0.93 -2.02 0.00 0.00 178.31 177.32 1e0h h GLU 41 N -1.11 0.19 0.23 1.11 5.08 -0.67 -1.67 114.58 117.73 1e0h h GLU 41 Ca -0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1e0h h GLU 41 Cb 0.88 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1e0h h GLU 41 CO 0.12 0.12 -0.11 1.49 -1.00 0.00 0.00 179.01 179.64 1e0h h GLU 42 N 0.19 -0.29 0.00 2.33 4.22 -0.19 -3.34 114.58 117.49 1e0h h GLU 42 Ca 0.62 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 60.08 1e0h h GLU 42 Cb 1.99 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1e0h h GLU 42 CO -0.19 0.06 -0.01 0.52 -2.18 0.00 0.00 179.01 177.22 1e0h h MET 43 N -0.92 0.00 0.00 1.92 2.86 -0.15 -3.15 114.93 115.49 1e0h h MET 43 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1e0h h MET 43 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1e0h h MET 43 CO 0.05 0.01 0.00 -2.37 1.06 0.00 0.00 176.91 175.66 1e0h n THR 44 N -4.27 0.00 -1.96 2.22 5.66 -1.23 -4.33 114.28 110.37 1e0h n THR 44 Ca -0.03 -0.28 -0.10 0.00 -3.05 0.00 0.00 64.05 60.59 1e0h n THR 44 Cb 0.09 1.20 -0.02 0.00 -1.55 0.00 0.00 70.33 70.05 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 -0.30 -1.87 -2.37 1.09 1.02 -1.19 -4.87 120.64 112.14 1e0h n GLU 45 Ca 0.00 0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 57.27 1e0h n GLU 45 Cb 0.05 -4.97 -0.03 0.00 -0.02 0.00 0.00 31.44 26.47 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 -2.25 3.24 0.00 -0.32 2.46 -1.26 -4.91 115.29 112.24 1e0h s HIS 46 Ca 0.00 1.15 0.00 0.00 0.47 0.00 0.00 55.06 56.68 1e0h s HIS 46 Cb 0.00 -3.49 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 1e0h s HIS 46 CO 0.00 -1.61 0.00 -2.30 -2.47 0.00 0.00 174.74 168.36 1e0h n PRO 47 N 4.57 0.00 0.02 2.88 -0.02 -1.26 -3.28 135.00 137.91 1e0h n PRO 47 Ca 0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1e0h n PRO 47 Cb 0.45 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.86 1e0h n PRO 47 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1e0h h SER 48 N 0.00 -1.40 -5.52 2.55 0.02 -1.91 -3.48 113.55 103.81 1e0h h SER 48 Ca 0.00 0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1e0h h SER 48 Cb 0.00 0.56 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1e0h h SER 48 CO 0.00 -0.46 -0.91 0.61 -1.14 0.00 0.00 176.83 174.94 1e0h n GLY 49 N -1.45 -2.48 3.25 -3.77 0.00 -1.20 -4.02 105.19 95.53 1e0h n GLY 49 Ca -0.05 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.52 -1.88 -0.45 1.61 7.64 -1.26 -4.76 113.62 115.04 1e0h n SER 50 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.01 1e0h n SER 50 Cb 0.25 -1.90 0.46 0.00 -1.01 0.00 0.00 64.21 62.01 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 -0.24 1.37 -1.55 6.43 2.03 -1.26 -1.57 116.55 121.76 1e0h n ASP 51 Ca 0.00 -1.59 -0.06 0.00 0.52 0.00 0.00 54.79 53.66 1e0h n ASP 51 Cb 0.12 -0.06 0.09 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.11 3.11 0.00 -2.67 -0.00 -1.26 -3.63 117.00 112.65 1e0h n LEU 52 Ca 0.17 -3.82 0.00 0.00 -0.00 0.00 0.00 56.01 52.36 1e0h n LEU 52 Cb 0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1e0h n LEU 52 CO 0.14 1.48 -0.29 -0.38 -0.00 0.00 0.00 177.39 178.33 1e0h n ILE 53 N -0.67 0.00 -0.24 1.47 2.08 -0.62 -4.76 119.36 116.61 1e0h n ILE 53 Ca 0.24 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.55 1e0h n ILE 53 Cb 0.87 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 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 -2.64 0.00 0.86 1.39 4.01 -0.61 -4.92 117.16 115.26 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 0.29 0.00 0.48 0.00 -0.31 0.00 0.00 39.34 39.80 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 0.30 0.00 -0.72 4.01 -1.05 -4.88 117.16 114.82 1e0h n TYR 55 Ca 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1e0h n TYR 55 Cb 0.00 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 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 -1.76 1.08 0.00 -0.72 -0.04 -1.24 -4.90 135.00 127.43 1e0h n PRO 56 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1e0h n PRO 56 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 0.54 4.81 -1.12 -5.00 118.16 117.39 1e0h n LYS 57 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1e0h n LYS 57 Cb 0.00 0.00 0.54 0.00 0.02 0.00 0.00 35.03 35.59 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 0.62 -0.23 1.64 4.07 -1.26 -3.18 120.64 122.30 1e0h n GLU 58 Ca 0.00 -0.25 0.00 0.00 -0.06 0.00 0.00 57.16 56.85 1e0h n GLU 58 Cb 0.00 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 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 1.32 0.76 2.80 8.31 0.00 -1.26 -5.12 105.19 111.99 1e0h n GLY 59 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 2.58 -0.70 1.61 1.01 -1.19 -5.07 116.67 114.92 1e0h s ASP 60 Ca 0.00 -0.60 -0.26 0.00 0.71 0.00 0.00 52.55 52.40 1e0h s ASP 60 Cb 0.00 -0.68 -0.09 0.00 1.01 0.00 0.00 42.92 43.17 1e0h s ASP 60 CO 0.00 -0.24 2.27 -0.62 0.21 0.00 0.00 175.17 176.79 1e0h s ASP 61 N 1.80 4.42 -0.02 0.27 2.15 -1.26 -2.78 116.67 121.26 1e0h s ASP 61 Ca 0.01 0.28 0.14 0.00 0.43 0.00 0.00 52.55 53.40 1e0h s ASP 61 Cb -0.15 -2.53 0.41 0.00 -0.30 0.00 0.00 42.92 40.34 1e0h s ASP 61 CO -0.07 -3.22 1.34 -0.90 -0.17 0.00 0.00 175.17 172.15 1e0h n ASP 62 N 16.39 3.29 -4.55 -0.34 5.75 -1.26 -2.80 116.55 133.03 1e0h n ASP 62 Ca 0.39 -2.08 -0.39 0.00 -0.01 0.00 0.00 54.79 52.71 1e0h n ASP 62 Cb 0.48 -0.32 0.04 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.73 0.06 -0.19 -1.12 7.64 -1.26 -4.32 113.62 115.16 1e0h n SER 63 Ca 0.16 0.83 0.29 0.00 1.01 0.00 0.00 58.87 61.15 1e0h n SER 63 Cb 0.52 -1.28 0.73 0.00 -1.01 0.00 0.00 64.21 63.16 1e0h n SER 63 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1e0h h PRO 64 N 0.60 0.00 0.52 1.43 0.11 -1.97 0.36 132.00 133.05 1e0h h PRO 64 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1e0h h PRO 64 Cb 1.38 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.49 1e0h h PRO 64 CO 0.50 0.00 -0.25 0.66 -0.21 0.00 0.00 178.00 178.71 1e0h h SER 65 N 0.00 -0.59 -0.87 -2.05 4.64 -1.91 -2.88 113.55 109.89 1e0h h SER 65 Ca 0.43 -0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.99 1e0h h SER 65 Cb 1.77 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.96 1e0h h SER 65 CO -0.00 -0.17 0.61 1.23 -0.87 0.00 0.00 176.83 177.62 1e0h h GLY 66 N -1.16 0.28 1.08 -0.77 0.00 -0.63 0.60 103.07 102.46 1e0h h GLY 66 Ca -0.07 -0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 1e0h h GLY 66 CO 0.12 -0.01 -0.69 0.16 0.00 0.00 0.00 176.54 176.12 1e0h h ILE 67 N 0.13 1.31 0.00 2.60 3.07 -0.56 0.86 117.51 124.91 1e0h h ILE 67 Ca 0.43 -1.93 0.00 0.00 1.55 0.00 0.00 64.86 64.91 1e0h h ILE 67 Cb 1.49 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 40.11 1e0h h ILE 67 CO -0.06 0.60 0.00 0.58 -1.05 0.00 0.00 178.15 178.22 1e0h h VAL 68 N 0.40 0.00 -0.05 0.16 2.07 -1.01 0.10 116.25 117.92 1e0h h VAL 68 Ca -0.05 -0.58 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 1e0h h VAL 68 Cb 1.33 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1e0h h VAL 68 CO 0.14 0.00 -0.62 0.78 0.02 0.00 0.00 177.57 177.90 1e0h h ASN 69 N 0.00 0.21 -0.32 0.57 2.35 0.39 -2.55 115.58 116.23 1e0h h ASN 69 Ca 0.00 -0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 1e0h h ASN 69 Cb 0.64 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1e0h h ASN 69 CO 0.00 0.77 -0.41 0.74 -1.65 0.00 0.00 177.43 176.89 1e0h h THR 70 N 0.14 1.28 -0.43 2.81 2.02 0.33 -0.68 112.91 118.37 1e0h h THR 70 Ca -0.01 -1.58 0.08 0.00 0.77 0.00 0.00 66.41 65.67 1e0h h THR 70 Cb 1.12 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.98 1e0h h THR 70 CO 0.09 0.52 -0.05 0.58 0.37 0.00 0.00 175.52 177.03 1e0h h VAL 71 N 0.63 0.62 0.00 3.16 2.07 -1.44 -2.23 116.25 119.07 1e0h h VAL 71 Ca 0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1e0h h VAL 71 Cb 1.00 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1e0h h VAL 71 CO 0.10 0.01 0.00 1.17 0.02 0.00 0.00 177.57 178.87 1e0h n LYS 72 N -5.26 0.10 0.00 1.57 3.00 -0.28 0.67 118.16 117.96 1e0h n LYS 72 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1e0h n LYS 72 Cb 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 35.03 34.01 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 -0.75 0.00 0.29 1.64 6.02 -0.89 -3.85 117.38 119.84 1e0h n GLN 73 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1e0h n GLN 73 Cb 0.01 -0.63 -0.07 0.00 1.02 0.00 0.00 30.24 30.57 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 -0.73 0.00 1.08 7.01 -0.94 -0.36 115.95 122.00 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 0.86 0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 1e0h h TRP 74 CO 0.00 -0.42 0.02 0.54 -2.79 0.00 0.00 178.44 175.78 1e0h n ARG 75 N -5.31 0.00 -0.03 2.65 1.74 0.21 0.20 116.66 116.12 1e0h n ARG 75 Ca -0.10 0.42 0.04 0.00 -0.77 0.00 0.00 57.85 57.44 1e0h n ARG 75 Cb 0.33 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.42 2.37 -0.06 7.54 0.00 -1.14 0.49 120.51 128.29 1e0h n ALA 76 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1e0h n ALA 76 Cb 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.26 1.35 0.99 0.00 0.00 -0.16 -3.28 120.51 117.16 1e0h n ALA 77 Ca -0.10 -0.97 0.14 0.00 0.00 0.00 0.00 53.44 52.51 1e0h n ALA 77 Cb 0.63 -0.46 0.55 0.00 0.00 0.00 0.00 19.45 20.16 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 -3.10 0.11 -1.21 0.00 2.85 0.13 -4.95 115.26 109.09 1e0h n ASN 78 Ca -0.31 0.36 -0.15 0.00 -0.11 0.00 0.00 54.58 54.37 1e0h n ASN 78 Cb 1.07 -0.36 -0.06 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 1.50 1.42 0.13 8.20 0.00 -1.08 -4.88 105.19 110.47 1e0h n GLY 79 Ca 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.04 -2.31 1.61 1.79 -0.20 -3.46 116.57 113.95 1e0h h LYS 80 Ca -0.32 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.14 1e0h h LYS 80 Cb 1.01 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.51 1e0h h LYS 80 CO 0.46 -0.03 0.26 -1.54 -1.08 0.00 0.00 179.45 177.52 1e0h s SER 81 N -3.61 -0.58 0.00 0.86 1.04 -1.25 -5.09 113.70 105.07 1e0h s SER 81 Ca -0.04 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.83 1e0h s SER 81 Cb 0.03 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.74 1e0h s SER 81 CO 0.18 -0.70 0.86 0.61 0.98 0.00 0.00 173.24 175.17 1e0h n GLY 82 N 0.37 0.75 7.00 7.32 0.00 -1.26 -4.84 105.19 114.52 1e0h n GLY 82 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.08 0.00 -3.65 1.61 3.72 -1.25 -4.81 117.46 113.16 1e0h n PHE 83 Ca -0.03 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1e0h n PHE 83 Cb 0.71 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.23 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 0.00 1.07 0.00 -1.08 2.20 -1.16 -4.51 119.74 116.26 1e0h s LYS 84 Ca 0.00 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 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 -0.48 0.00 0.00 -0.36 0.00 0.00 175.35 174.51 1e0h n GLN 85 N -0.38 0.00 0.00 4.03 10.64 -1.26 -3.42 117.38 126.98 1e0h n GLN 85 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 1e0h n GLN 85 Cb 0.61 -0.08 0.00 0.00 -0.86 0.00 0.00 30.24 29.91 1e0h n GLN 85 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64