#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5h n LYS 3 N 0.00 -2.40 -3.52 -0.78 5.02 -1.26 -5.03 118.16 110.19 2g5h n LYS 3 Ca 0.00 2.05 -0.22 0.00 -2.02 0.00 0.00 58.31 58.12 2g5h n LYS 3 Cb 0.00 -4.48 -0.14 0.00 -0.02 0.00 0.00 35.03 30.39 2g5h n LYS 3 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2g5h s VAL 4 N -1.97 -0.22 0.49 -0.18 1.01 -1.26 -5.11 120.40 113.15 2g5h s VAL 4 Ca 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 2g5h s VAL 4 Cb -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2g5h s VAL 4 CO 0.71 -0.39 0.75 0.42 0.00 0.00 0.00 175.10 176.59 2g5h s THR 5 N 2.23 4.17 0.21 3.92 -4.23 -1.26 -4.87 115.64 115.83 2g5h s THR 5 Ca 0.07 -0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2g5h s THR 5 Cb -0.16 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.34 2g5h s THR 5 CO -0.21 -0.49 1.60 0.03 -0.54 0.00 0.00 174.62 175.02 2g5h h ARG 6 N 0.23 -0.04 -0.55 3.99 3.08 -1.99 -1.06 114.38 118.04 2g5h h ARG 6 Ca -0.46 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.70 2g5h h ARG 6 Cb 1.24 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 2g5h h ARG 6 CO 0.59 -0.03 -0.06 0.93 -1.07 0.00 0.00 179.97 180.34 2g5h h GLU 7 N -0.05 0.06 -0.34 0.04 3.07 -1.98 0.40 114.58 115.78 2g5h h GLU 7 Ca 0.31 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 2g5h h GLU 7 Cb 0.53 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2g5h h GLU 7 CO -0.72 0.04 -0.30 0.93 -1.40 0.00 0.00 179.01 177.56 2g5h h GLU 8 N 0.06 0.73 -0.94 2.33 4.39 -1.62 -1.26 114.58 118.27 2g5h h GLU 8 Ca 0.27 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2g5h h GLU 8 Cb 0.43 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 2g5h h GLU 8 CO -0.51 0.94 0.59 0.28 -1.16 0.00 0.00 179.01 179.15 2g5h h VAL 9 N 0.62 1.25 0.00 3.13 2.07 -0.12 -0.05 116.25 123.15 2g5h h VAL 9 Ca 0.07 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2g5h h VAL 9 Cb 0.82 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2g5h h VAL 9 CO 0.07 0.26 -0.12 -0.33 0.02 0.00 0.00 177.57 177.46 2g5h h GLU 10 N 1.29 0.00 0.04 1.57 5.08 -0.75 -2.23 114.58 119.58 2g5h h GLU 10 Ca 0.34 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.48 2g5h h GLU 10 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2g5h h GLU 10 CO -0.07 0.07 -1.02 1.25 -1.00 0.00 0.00 179.01 178.24 2g5h h HIS 11 N 0.00 0.30 -0.05 4.33 2.76 -0.41 -2.57 115.15 119.51 2g5h h HIS 11 Ca -0.00 -0.19 -0.09 0.00 -2.20 0.00 0.00 60.37 57.88 2g5h h HIS 11 Cb 1.06 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.00 2g5h h HIS 11 CO 0.00 1.08 -0.33 0.82 -1.30 0.00 0.00 177.93 178.19 2g5h h ILE 12 N 0.08 1.45 -0.98 6.26 2.04 -1.02 -1.89 117.51 123.44 2g5h h ILE 12 Ca -0.06 -1.80 0.16 0.00 1.00 0.00 0.00 64.86 64.15 2g5h h ILE 12 Cb 1.71 2.44 -0.09 0.00 -0.74 0.00 0.00 36.82 40.15 2g5h h ILE 12 CO 0.16 0.51 0.61 0.00 0.00 0.00 0.00 178.15 179.43 2g5h h ALA 13 N 0.38 1.68 -0.31 1.87 0.00 -1.45 0.15 119.26 121.58 2g5h h ALA 13 Ca -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2g5h h ALA 13 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2g5h h ALA 13 CO 0.07 0.03 -0.15 -0.97 0.00 0.00 0.00 179.25 178.23 2g5h h ASN 14 N 0.82 0.67 0.32 0.00 -0.73 -1.38 0.14 115.58 115.42 2g5h h ASN 14 Ca 0.52 -0.41 -0.02 0.00 1.87 0.00 0.00 56.30 58.26 2g5h h ASN 14 Cb 0.73 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 2g5h h ASN 14 CO -0.29 0.93 -0.10 -0.07 -0.37 0.00 0.00 177.43 177.52 2g5h h LEU 15 N 0.41 0.00 -1.51 0.34 3.38 -0.15 -2.01 115.31 115.77 2g5h h LEU 15 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2g5h h LEU 15 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2g5h h LEU 15 CO 0.05 0.10 -0.19 0.00 0.09 0.00 0.00 178.44 178.48 2g5h n ALA 16 N -2.28 2.91 -3.63 1.53 0.00 0.33 -4.99 120.51 114.38 2g5h n ALA 16 Ca -0.02 -0.66 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 2g5h n ALA 16 Cb 0.22 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 18.90 2g5h n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2g5h n ARG 17 N 0.74 -5.04 -5.06 0.00 5.12 0.28 -4.99 116.66 107.72 2g5h n ARG 17 Ca 0.12 0.67 -0.30 0.00 -1.93 0.00 0.00 57.85 56.42 2g5h n ARG 17 Cb 0.54 -5.31 -0.17 0.00 -1.16 0.00 0.00 32.46 26.37 2g5h n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2g5h s LEU 18 N -6.56 1.98 0.13 0.55 1.43 -0.08 -5.03 118.68 111.11 2g5h s LEU 18 Ca 0.03 -0.47 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 2g5h s LEU 18 Cb -0.01 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 2g5h s LEU 18 CO 0.79 0.16 0.82 -1.58 0.23 0.00 0.00 176.35 176.77 2g5h s GLN 19 N 0.23 4.60 0.01 1.70 0.74 -1.26 -4.53 119.66 121.15 2g5h s GLN 19 Ca -0.12 1.21 -0.02 0.00 0.05 0.00 0.00 55.36 56.47 2g5h s GLN 19 Cb -0.16 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.64 2g5h s GLN 19 CO 0.06 0.44 0.03 -1.50 -0.55 0.00 0.00 175.29 173.77 2g5h s ILE 20 N -0.71 0.09 -0.04 -2.34 2.07 -1.26 -5.15 121.20 113.86 2g5h s ILE 20 Ca 0.38 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 2g5h s ILE 20 Cb -0.23 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 2g5h s ILE 20 CO 0.26 -0.42 -0.00 -0.94 -1.91 0.00 0.00 174.94 171.93 2g5h s SER 21 N -1.30 5.14 0.00 4.50 1.04 -1.26 -4.94 113.70 116.87 2g5h s SER 21 Ca -0.14 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2g5h s SER 21 Cb -0.08 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2g5h s SER 21 CO -0.00 0.33 0.26 -2.65 0.98 0.00 0.00 173.24 172.16 2g5h n PRO 22 N 1.77 0.00 0.00 4.02 -0.02 -1.26 0.28 135.00 139.79 2g5h n PRO 22 Ca -0.16 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.41 2g5h n PRO 22 Cb 0.53 -1.38 -0.00 0.00 -0.02 0.00 0.00 33.50 32.63 2g5h n PRO 22 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2g5h n GLU 23 N -0.73 1.41 -0.03 -0.52 -0.00 -1.26 -4.22 120.64 115.30 2g5h n GLU 23 Ca 0.00 -0.93 -0.02 0.00 -0.00 0.00 0.00 57.16 56.21 2g5h n GLU 23 Cb 0.00 -1.40 -0.05 0.00 -0.00 0.00 0.00 31.44 30.00 2g5h n GLU 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2g5h n GLU 24 N -0.05 2.56 0.45 3.44 1.02 0.81 -4.57 120.64 124.30 2g5h n GLU 24 Ca 0.08 -0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.03 2g5h n GLU 24 Cb 0.42 -1.15 -0.08 0.00 -0.02 0.00 0.00 31.44 30.60 2g5h n GLU 24 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2g5h h THR 25 N 0.00 0.00 -0.47 2.62 2.02 -0.96 0.27 112.91 116.39 2g5h h THR 25 Ca -0.14 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.10 2g5h h THR 25 Cb 1.20 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.51 2g5h h THR 25 CO 0.01 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 175.17 2g5h h GLU 26 N -1.17 -0.26 -0.90 6.66 4.39 -1.84 0.89 114.58 122.34 2g5h h GLU 26 Ca -0.12 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.75 2g5h h GLU 26 Cb 0.88 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.52 2g5h h GLU 26 CO 0.19 -0.17 0.58 1.49 -1.16 0.00 0.00 179.01 179.94 2g5h h GLU 27 N -0.27 0.66 0.01 2.33 4.81 -1.78 -1.02 114.58 119.32 2g5h h GLU 27 Ca 0.17 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.17 2g5h h GLU 27 Cb 0.57 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2g5h h GLU 27 CO -0.61 0.43 -0.88 1.98 -0.73 0.00 0.00 179.01 179.20 2g5h h MET 28 N 0.68 0.06 -0.12 1.92 4.05 0.35 -2.66 114.93 119.21 2g5h h MET 28 Ca 0.46 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.81 2g5h h MET 28 Cb 0.77 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2g5h h MET 28 CO -0.22 0.90 0.06 0.00 0.23 0.00 0.00 176.91 177.88 2g5h h ALA 29 N 1.07 0.14 -0.04 0.39 0.00 0.19 -0.90 119.26 120.11 2g5h h ALA 29 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2g5h h ALA 29 Cb 1.54 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2g5h h ALA 29 CO 0.12 -0.39 0.02 -0.91 0.00 0.00 0.00 179.25 178.09 2g5h h ASN 30 N 0.13 0.06 0.01 0.00 2.35 -1.52 -1.73 115.58 114.87 2g5h h ASN 30 Ca 0.05 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2g5h h ASN 30 Cb 0.01 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 2g5h h ASN 30 CO -0.03 0.21 -0.32 0.71 -1.65 0.00 0.00 177.43 176.35 2g5h h THR 31 N -0.09 0.31 -0.12 2.81 1.35 -1.31 0.82 112.91 116.66 2g5h h THR 31 Ca 0.01 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.92 2g5h h THR 31 Cb 0.17 0.31 -0.06 0.00 -1.73 0.00 0.00 68.15 66.83 2g5h h THR 31 CO -0.00 0.00 -0.33 -0.07 -0.25 0.00 0.00 175.52 174.87 2g5h h LEU 32 N -0.48 -1.02 -0.72 3.87 -0.00 -1.15 0.75 115.31 116.56 2g5h h LEU 32 Ca 0.06 0.15 0.15 0.00 -0.00 0.00 0.00 57.88 58.23 2g5h h LEU 32 Cb 0.56 0.43 -0.14 0.00 -0.00 0.00 0.00 40.66 41.51 2g5h h LEU 32 CO -0.26 -0.37 -0.16 -0.08 -0.00 0.00 0.00 178.44 177.58 2g5h h GLU 33 N -0.41 0.01 -0.47 1.13 4.81 -0.64 0.91 114.58 119.91 2g5h h GLU 33 Ca 0.09 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2g5h h GLU 33 Cb 0.56 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2g5h h GLU 33 CO -0.35 0.01 -0.11 0.77 -0.73 0.00 0.00 179.01 178.60 2g5h h SER 34 N 0.01 0.86 -0.48 1.04 0.02 -0.02 -0.36 113.55 114.62 2g5h h SER 34 Ca 0.35 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2g5h h SER 34 Cb 0.55 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2g5h h SER 34 CO -0.73 0.98 -0.11 0.40 -1.14 0.00 0.00 176.83 176.23 2g5h h ILE 35 N 0.78 1.27 -0.46 3.27 2.04 0.16 -1.08 117.51 123.49 2g5h h ILE 35 Ca 0.13 -1.24 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 2g5h h ILE 35 Cb 0.62 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2g5h h ILE 35 CO 0.04 0.43 0.01 -0.07 0.00 0.00 0.00 178.15 178.56 2g5h h LEU 36 N 0.77 0.79 -1.15 1.44 3.38 0.88 0.64 115.31 122.05 2g5h h LEU 36 Ca 0.12 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2g5h h LEU 36 Cb 0.66 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2g5h h LEU 36 CO 0.05 0.90 0.58 -0.78 0.09 0.00 0.00 178.44 179.27 2g5h h ASP 37 N 0.66 0.96 -0.30 -0.43 1.82 -0.93 1.31 116.42 119.50 2g5h h ASP 37 Ca 0.13 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2g5h h ASP 37 Cb 0.49 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 2g5h h ASP 37 CO 0.02 0.66 0.06 0.15 -1.61 0.00 0.00 179.24 178.53 2g5h h PHE 38 N 1.11 0.52 -0.72 0.28 3.57 -0.31 -2.91 116.94 118.48 2g5h h PHE 38 Ca 0.35 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 2g5h h PHE 38 Cb -0.00 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 2g5h h PHE 38 CO -0.00 0.56 0.25 0.00 -2.23 0.00 0.00 178.31 176.89 2g5h h ALA 39 N 0.89 1.09 0.00 2.41 0.00 0.28 -2.76 119.26 121.17 2g5h h ALA 39 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2g5h h ALA 39 Cb 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2g5h h ALA 39 CO 0.00 0.63 0.40 0.87 0.00 0.00 0.00 179.25 181.15 2g5h h LYS 40 N 1.05 0.00 -0.55 0.00 1.79 0.18 -2.29 116.57 116.75 2g5h h LYS 40 Ca 0.24 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.86 2g5h h LYS 40 Cb 0.25 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2g5h h LYS 40 CO -0.01 0.00 0.40 1.96 -1.08 0.00 0.00 179.45 180.71 2g5h h GLN 41 N 0.00 0.03 0.00 3.15 4.20 -1.57 -1.14 115.11 119.78 2g5h h GLN 41 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2g5h h GLN 41 Cb 0.80 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2g5h h GLN 41 CO 0.00 0.02 -0.03 -0.91 -0.67 0.00 0.00 178.83 177.24 2g5h h ASN 42 N 0.04 0.00 0.32 1.46 2.35 -1.68 -2.68 115.58 115.39 2g5h h ASN 42 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2g5h h ASN 42 Cb 1.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.38 2g5h h ASN 42 CO -0.01 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.27 2g5h n ASP 43 N -3.34 0.45 -0.36 5.81 8.00 -0.43 -0.62 116.55 126.06 2g5h n ASP 43 Ca -0.02 0.66 0.14 0.00 0.71 0.00 0.00 54.79 56.28 2g5h n ASP 43 Cb 0.16 -0.74 0.62 0.00 -0.02 0.00 0.00 41.12 41.15 2g5h n ASP 43 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2g5h n SER 44 N -2.05 1.13 -4.77 -2.24 7.64 -1.01 -4.81 113.62 107.51 2g5h n SER 44 Ca 0.01 -1.35 -0.37 0.00 1.01 0.00 0.00 58.87 58.16 2g5h n SER 44 Cb 0.11 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 2g5h n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g5h s ALA 45 N -2.02 3.66 -0.52 -0.43 0.00 0.21 -5.05 121.76 117.61 2g5h s ALA 45 Ca 0.40 -0.45 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 2g5h s ALA 45 Cb 0.21 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 21.05 2g5h s ALA 45 CO 0.35 0.25 0.99 0.34 0.00 0.00 0.00 175.76 177.69 2g5h s ASP 46 N -0.06 6.43 0.00 0.00 2.15 -1.26 -4.88 116.67 119.05 2g5h s ASP 46 Ca 0.17 -0.07 0.07 0.00 0.43 0.00 0.00 52.55 53.15 2g5h s ASP 46 Cb -0.13 -2.47 0.14 0.00 -0.30 0.00 0.00 42.92 40.16 2g5h s ASP 46 CO 0.05 -1.22 1.00 0.35 -0.17 0.00 0.00 175.17 175.19 2g5h n THR 47 N 6.40 0.65 -1.61 1.71 -2.24 -1.26 -4.97 114.28 112.96 2g5h n THR 47 Ca 0.05 -0.83 -0.55 0.00 -2.27 0.00 0.00 64.05 60.45 2g5h n THR 47 Cb 0.48 0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 2g5h n THR 47 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2g5h n GLU 48 N 0.21 1.15 -0.99 -0.78 2.13 -1.26 -0.06 120.64 121.05 2g5h n GLU 48 Ca 0.06 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2g5h n GLU 48 Cb 0.29 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2g5h n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2g5h n GLY 49 N 5.05 0.56 3.74 8.31 0.00 -1.26 -5.02 105.19 116.57 2g5h n GLY 49 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 2g5h n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g5h s VAL 50 N -2.33 5.17 0.27 1.61 0.11 0.92 -5.06 120.40 121.09 2g5h s VAL 50 Ca 0.00 0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 59.64 2g5h s VAL 50 Cb 0.00 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.98 2g5h s VAL 50 CO 0.00 0.38 0.97 -1.61 -3.33 0.00 0.00 175.10 171.51 2g5h s GLU 51 N 0.30 4.74 0.32 1.54 0.41 -1.26 -5.01 118.70 119.74 2g5h s GLU 51 Ca 0.24 1.50 -0.29 0.00 -0.41 0.00 0.00 54.97 56.01 2g5h s GLU 51 Cb -0.15 -3.13 -0.10 0.00 -1.78 0.00 0.00 34.13 28.97 2g5h s GLU 51 CO 0.10 0.40 1.32 -2.14 -0.49 0.00 0.00 175.26 174.45 2g5h s PRO 52 N -1.46 4.34 -0.44 0.39 0.02 -1.26 -4.98 135.00 131.61 2g5h s PRO 52 Ca 0.44 2.23 -0.20 0.00 0.02 0.00 0.00 61.00 63.49 2g5h s PRO 52 Cb -0.25 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.22 2g5h s PRO 52 CO 0.31 -0.22 0.62 0.99 -0.33 0.00 0.00 177.00 178.37 2g5h s THR 53 N -0.99 4.86 -0.16 0.99 2.01 -1.26 -4.86 115.64 116.22 2g5h s THR 53 Ca 0.50 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.60 2g5h s THR 53 Cb -0.40 -4.19 -0.23 0.00 0.01 0.00 0.00 72.50 67.69 2g5h s THR 53 CO 0.52 -0.59 0.21 -1.22 -0.69 0.00 0.00 174.62 172.85 2g5h n TYR 54 N 6.19 0.61 -4.46 4.92 4.01 -1.26 -4.91 117.16 122.26 2g5h n TYR 54 Ca -0.02 0.16 -0.22 0.00 -0.16 0.00 0.00 57.90 57.66 2g5h n TYR 54 Cb 0.48 -1.09 -0.16 0.00 -0.31 0.00 0.00 39.34 38.25 2g5h n TYR 54 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2g5h s HIS 55 N -2.54 1.16 0.05 -0.72 3.76 -1.26 -5.04 115.29 110.71 2g5h s HIS 55 Ca -0.20 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 2g5h s HIS 55 Cb 0.07 -0.86 -0.24 0.00 1.11 0.00 0.00 32.58 32.66 2g5h s HIS 55 CO 0.75 -0.19 1.04 -0.39 -0.85 0.00 0.00 174.74 175.10 2g5h h VAL 56 N 5.76 1.38 -3.32 -0.90 -1.51 -2.02 -3.44 116.25 112.20 2g5h h VAL 56 Ca -0.33 -3.09 -0.59 0.00 -1.23 0.00 0.00 66.70 61.46 2g5h h VAL 56 Cb 1.17 2.75 -0.10 0.00 -2.13 0.00 0.00 31.29 32.99 2g5h h VAL 56 CO 0.48 0.83 -0.27 -0.22 -1.23 0.00 0.00 177.57 177.16 2g5h s LEU 57 N -6.70 4.24 -1.21 4.19 0.20 -1.26 -5.00 118.68 113.14 2g5h s LEU 57 Ca -0.03 0.59 -0.06 0.00 0.69 0.00 0.00 54.13 55.31 2g5h s LEU 57 Cb 0.08 -2.47 0.03 0.00 -0.43 0.00 0.00 46.19 43.41 2g5h s LEU 57 CO 0.84 0.06 2.67 0.47 -0.29 0.00 0.00 176.35 180.09 2g5h n ASP 58 N 3.69 7.87 -3.47 3.68 9.92 -1.26 -4.94 116.55 132.04 2g5h n ASP 58 Ca -0.10 -2.95 -0.18 0.00 -0.53 0.00 0.00 54.79 51.02 2g5h n ASP 58 Cb 0.52 -1.40 0.11 0.00 -0.64 0.00 0.00 41.12 39.71 2g5h n ASP 58 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2g5h n LEU 59 N 2.16 0.00 -3.55 0.64 4.32 -1.26 -5.12 117.00 114.19 2g5h n LEU 59 Ca 0.64 -1.17 -0.14 0.00 -0.02 0.00 0.00 56.01 55.32 2g5h n LEU 59 Cb 0.32 -0.58 -0.06 0.00 -1.62 0.00 0.00 43.42 41.49 2g5h n LEU 59 CO 0.65 -1.01 0.61 -1.10 -1.22 0.00 0.00 177.39 175.33 2g5h s GLN 60 N -4.64 0.81 -0.60 3.23 -0.21 -1.26 -5.05 119.66 111.95 2g5h s GLN 60 Ca 0.48 0.21 -0.05 0.00 0.02 0.00 0.00 55.36 56.02 2g5h s GLN 60 Cb -0.02 0.38 0.01 0.00 1.00 0.00 0.00 33.01 34.38 2g5h s GLN 60 CO 0.33 -0.25 0.41 0.09 -2.12 0.00 0.00 175.29 173.75 2g5h n ASN 61 N 0.84 -3.07 -4.34 5.90 3.02 -1.26 -4.90 115.26 111.44 2g5h n ASN 61 Ca -0.14 -0.70 -0.45 0.00 -0.03 0.00 0.00 54.58 53.25 2g5h n ASN 61 Cb 0.57 -1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 38.63 2g5h n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2g5h s VAL 62 N -2.93 5.18 0.26 2.41 1.01 -1.26 -5.03 120.40 120.04 2g5h s VAL 62 Ca 0.07 -1.30 0.10 0.00 0.00 0.00 0.00 61.98 60.85 2g5h s VAL 62 Cb -0.04 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2g5h s VAL 62 CO 0.61 -0.79 -0.08 -0.76 0.00 0.00 0.00 175.10 174.08 2g5h s LEU 63 N 1.72 2.98 -0.12 3.92 2.01 -1.26 -5.13 118.68 122.79 2g5h s LEU 63 Ca 0.04 -0.77 0.00 0.00 0.01 0.00 0.00 54.13 53.42 2g5h s LEU 63 Cb -0.27 -1.51 -0.02 0.00 0.01 0.00 0.00 46.19 44.40 2g5h s LEU 63 CO 0.05 0.02 -0.13 -0.60 1.01 0.00 0.00 176.35 176.70 2g5h s ARG 64 N -3.56 3.31 0.40 1.70 3.52 -1.26 -5.09 118.95 117.96 2g5h s ARG 64 Ca 0.30 -0.67 -0.27 0.00 -0.13 0.00 0.00 55.73 54.96 2g5h s ARG 64 Cb -0.06 -2.62 -0.10 0.00 -1.56 0.00 0.00 34.95 30.60 2g5h s ARG 64 CO 0.18 0.27 1.48 -1.91 -0.81 0.00 0.00 175.30 174.51 2g5h n GLU 65 N 3.38 2.59 -1.84 5.12 4.07 -1.26 -4.85 120.64 127.85 2g5h n GLU 65 Ca -0.18 0.91 -0.41 0.00 -0.06 0.00 0.00 57.16 57.42 2g5h n GLU 65 Cb 0.53 -2.67 -0.02 0.00 -0.06 0.00 0.00 31.44 29.22 2g5h n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2g5h n ASP 66 N 0.29 3.79 -3.97 4.31 2.03 -1.26 -4.87 116.55 116.87 2g5h n ASP 66 Ca 0.02 -2.82 -0.30 0.00 0.52 0.00 0.00 54.79 52.21 2g5h n ASP 66 Cb 0.40 -1.58 -0.16 0.00 -0.72 0.00 0.00 41.12 39.06 2g5h n ASP 66 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2g5h s LYS 67 N 4.06 1.85 0.68 -0.67 -2.85 -1.26 -5.12 119.74 116.43 2g5h s LYS 67 Ca 0.52 -0.92 -0.16 0.00 -1.00 0.00 0.00 55.97 54.41 2g5h s LYS 67 Cb 0.11 -2.50 0.01 0.00 -2.06 0.00 0.00 37.83 33.39 2g5h s LYS 67 CO 0.01 -0.51 1.22 0.00 0.10 0.00 0.00 175.35 176.17 2g5h s ALA 68 N 1.38 2.28 -0.10 0.59 0.00 -1.26 -5.04 121.76 119.61 2g5h s ALA 68 Ca -0.04 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 2g5h s ALA 68 Cb -0.18 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.51 2g5h s ALA 68 CO -0.07 -1.63 0.02 0.42 0.00 0.00 0.00 175.76 174.49 2g5h s ILE 69 N -1.82 0.37 0.34 0.00 1.01 -1.26 -5.12 121.20 114.72 2g5h s ILE 69 Ca 0.76 -0.04 -0.26 0.00 0.00 0.00 0.00 60.65 61.11 2g5h s ILE 69 Cb -0.30 -0.64 -0.13 0.00 0.01 0.00 0.00 42.46 41.40 2g5h s ILE 69 CO 0.41 0.12 0.86 1.17 0.00 0.00 0.00 174.94 177.50 2g5h n LYS 70 N 5.14 1.05 -1.80 2.79 4.81 -1.26 -4.96 118.16 123.92 2g5h n LYS 70 Ca -0.07 0.37 -0.29 0.00 -0.87 0.00 0.00 58.31 57.45 2g5h n LYS 70 Cb 0.49 -1.73 0.12 0.00 0.02 0.00 0.00 35.03 33.92 2g5h n LYS 70 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2g5h s GLY 71 N -0.73 1.61 0.78 3.14 0.00 -1.26 -5.06 107.32 105.80 2g5h s GLY 71 Ca 0.61 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 44.52 2g5h s GLY 71 CO 0.58 -0.15 1.09 -0.26 0.00 0.00 0.00 173.10 174.36 2g5h s ILE 72 N -3.54 3.26 0.51 0.90 -4.36 -1.26 -5.01 121.20 111.69 2g5h s ILE 72 Ca 0.64 0.41 -0.21 0.00 -0.26 0.00 0.00 60.65 61.23 2g5h s ILE 72 Cb -0.11 -3.13 -0.06 0.00 1.25 0.00 0.00 42.46 40.41 2g5h s ILE 72 CO 0.51 -0.53 1.17 -2.84 0.24 0.00 0.00 174.94 173.48 2g5h s PRO 73 N -5.11 3.50 0.28 0.37 0.02 -1.26 -4.85 135.00 127.95 2g5h s PRO 73 Ca 0.60 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.38 2g5h s PRO 73 Cb -0.15 -2.21 0.66 0.00 0.02 0.00 0.00 34.50 32.82 2g5h s PRO 73 CO 0.55 -0.76 1.66 0.37 -0.33 0.00 0.00 177.00 178.48 2g5h h GLN 74 N 1.60 0.22 -0.67 5.54 4.15 -1.99 0.16 115.11 124.12 2g5h h GLN 74 Ca -0.50 -0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.04 2g5h h GLN 74 Cb 1.26 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.81 2g5h h GLN 74 CO 0.58 0.15 0.19 1.49 -1.93 0.00 0.00 178.83 179.31 2g5h h GLU 75 N 0.23 0.31 -0.53 1.69 4.57 -1.99 -0.29 114.58 118.57 2g5h h GLU 75 Ca 0.52 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.58 2g5h h GLU 75 Cb 1.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 2g5h h GLU 75 CO -0.63 0.21 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.24 2g5h h LEU 76 N 0.32 0.98 -1.22 1.64 3.38 -1.07 -1.56 115.31 117.77 2g5h h LEU 76 Ca 0.36 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2g5h h LEU 76 Cb 0.55 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2g5h h LEU 76 CO -0.42 1.09 -0.29 0.00 0.09 0.00 0.00 178.44 178.91 2g5h h ALA 77 N 1.00 1.11 0.00 1.53 0.00 -0.36 -3.16 119.26 119.38 2g5h h ALA 77 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2g5h h ALA 77 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2g5h h ALA 77 CO 0.05 0.37 -1.96 1.28 0.00 0.00 0.00 179.25 178.98 2g5h n LEU 78 N -3.61 0.04 -0.23 0.00 4.77 -0.27 -4.64 117.00 113.05 2g5h n LEU 78 Ca -0.01 -0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.20 2g5h n LEU 78 Cb 0.42 -0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.93 2g5h n LEU 78 CO 0.35 0.00 0.76 1.17 -1.33 0.00 0.00 177.39 178.34 2g5h n LYS 79 N -2.25 -0.04 0.00 3.23 4.81 -0.59 -0.44 118.16 122.87 2g5h n LYS 79 Ca -0.04 0.97 0.10 0.00 -0.87 0.00 0.00 58.31 58.48 2g5h n LYS 79 Cb 0.56 -1.76 -0.10 0.00 0.02 0.00 0.00 35.03 33.76 2g5h n LYS 79 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2g5h n ASN 80 N -4.57 1.05 -4.72 3.14 3.02 -1.26 -4.96 115.26 106.97 2g5h n ASN 80 Ca 0.27 -1.01 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 2g5h n ASN 80 Cb 0.93 0.94 -0.03 0.00 -0.61 0.00 0.00 39.78 41.01 2g5h n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g5h s ALA 81 N -2.97 3.35 0.30 5.41 0.00 0.41 -4.94 121.76 123.32 2g5h s ALA 81 Ca 0.09 0.79 0.12 0.00 0.00 0.00 0.00 51.96 52.97 2g5h s ALA 81 Cb 0.16 -3.41 0.55 0.00 0.00 0.00 0.00 23.12 20.42 2g5h s ALA 81 CO 0.85 -0.37 1.71 -0.22 0.00 0.00 0.00 175.76 177.73 2g5h h LYS 82 N 6.56 0.00 -4.54 0.00 3.64 -1.93 -3.42 116.57 116.88 2g5h h LYS 82 Ca -0.42 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.39 2g5h h LYS 82 Cb 1.21 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 32.68 2g5h h LYS 82 CO 0.79 0.49 -0.82 -1.21 -2.27 0.00 0.00 179.45 176.43 2g5h s GLU 83 N -3.84 2.01 0.02 1.90 0.41 -1.26 -5.12 118.70 112.81 2g5h s GLU 83 Ca -0.02 -0.46 -0.15 0.00 -0.41 0.00 0.00 54.97 53.93 2g5h s GLU 83 Cb 0.13 -1.85 0.03 0.00 -1.78 0.00 0.00 34.13 30.65 2g5h s GLU 83 CO 0.74 -0.19 0.34 0.95 -0.49 0.00 0.00 175.26 176.60 2g5h s THR 84 N 1.39 0.07 -0.23 3.63 -4.23 -1.26 -2.64 115.64 112.37 2g5h s THR 84 Ca 0.01 -0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 59.89 2g5h s THR 84 Cb -0.13 -0.85 0.11 0.00 1.34 0.00 0.00 72.50 72.97 2g5h s THR 84 CO -0.07 -0.31 0.48 -0.70 -0.54 0.00 0.00 174.62 173.48 2g5h s GLU 85 N -2.14 0.40 -1.02 3.99 2.12 -0.80 -4.83 118.70 116.40 2g5h s GLU 85 Ca -0.08 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.33 2g5h s GLU 85 Cb -0.02 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2g5h s GLU 85 CO -0.01 -0.30 0.00 -0.25 -0.54 0.00 0.00 175.26 174.17 2g5h n ASP 86 N 5.40 -3.87 -0.12 -1.70 8.00 -1.26 -3.30 116.55 119.71 2g5h n ASP 86 Ca -0.08 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2g5h n ASP 86 Cb 0.49 -2.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 2g5h n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g5h n GLY 87 N -1.27 0.80 3.53 0.44 0.00 -1.26 -5.06 105.19 102.37 2g5h n GLY 87 Ca -0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2g5h n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g5h s GLN 88 N -3.52 1.70 -0.13 1.61 -0.21 -1.21 -5.07 119.66 112.83 2g5h s GLN 88 Ca 0.00 -1.49 -0.17 0.00 0.02 0.00 0.00 55.36 53.72 2g5h s GLN 88 Cb 0.00 0.45 -0.04 0.00 1.00 0.00 0.00 33.01 34.42 2g5h s GLN 88 CO 0.00 -0.71 0.43 -0.06 -2.12 0.00 0.00 175.29 172.84 2g5h s PHE 89 N -3.55 3.49 -0.17 0.91 0.08 -1.26 -1.91 117.98 115.57 2g5h s PHE 89 Ca 0.26 0.81 -0.10 0.00 0.12 0.00 0.00 56.93 58.03 2g5h s PHE 89 Cb -0.00 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 2g5h s PHE 89 CO 0.14 0.17 0.16 0.21 -0.10 0.00 0.00 175.22 175.80 2g5h s LYS 90 N 0.63 3.97 0.02 0.44 2.20 -1.08 -4.86 119.74 121.06 2g5h s LYS 90 Ca 0.24 -0.14 -0.12 0.00 -0.36 0.00 0.00 55.97 55.58 2g5h s LYS 90 Cb -0.15 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 32.84 2g5h s LYS 90 CO 0.09 0.45 0.25 0.14 -0.36 0.00 0.00 175.35 175.91 2g5h s VAL 91 N -0.08 0.08 0.69 4.02 -7.23 -1.26 -4.77 120.40 111.85 2g5h s VAL 91 Ca 0.11 -0.69 -0.15 0.00 -1.81 0.00 0.00 61.98 59.45 2g5h s VAL 91 Cb -0.12 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.07 2g5h s VAL 91 CO 0.01 -0.38 1.16 -2.84 -0.31 0.00 0.00 175.10 172.74 2g5h s PRO 92 N -2.03 2.49 0.00 4.82 0.02 -1.26 -4.97 135.00 134.06 2g5h s PRO 92 Ca -0.09 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.52 2g5h s PRO 92 Cb -0.03 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2g5h s PRO 92 CO -0.01 -1.53 0.58 -2.37 -0.33 0.00 0.00 177.00 173.34 2g5h n THR 93 N -2.51 0.00 -1.79 0.99 5.66 -1.26 -5.07 114.28 110.30 2g5h n THR 93 Ca 0.12 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.71 2g5h n THR 93 Cb 0.51 0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 2g5h n THR 93 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2g5h s ILE 94 N 0.00 3.21 -1.11 1.09 -0.00 -1.26 -4.91 121.20 118.22 2g5h s ILE 94 Ca 0.00 0.19 -0.18 0.00 -0.00 0.00 0.00 60.65 60.66 2g5h s ILE 94 Cb 0.00 -3.35 0.11 0.00 -0.00 0.00 0.00 42.46 39.22 2g5h s ILE 94 CO 0.00 -0.27 1.42 -0.04 -0.00 0.00 0.00 174.94 176.05 2g5h s MET 95 N 6.67 3.82 -0.11 0.37 -1.94 -1.26 -3.80 119.30 123.05 2g5h s MET 95 Ca 0.88 -1.91 0.01 0.00 -1.71 0.00 0.00 55.69 52.96 2g5h s MET 95 Cb -0.23 -5.19 0.02 0.00 2.01 0.00 0.00 34.83 31.44 2g5h s MET 95 CO 0.30 -1.97 -0.13 1.21 -0.01 0.00 0.00 175.02 174.42 2g5h s ASN 96 N 3.83 2.36 -1.19 3.03 3.84 -1.26 -4.95 114.94 120.60 2g5h s ASN 96 Ca 0.43 -0.40 -0.20 0.00 0.21 0.00 0.00 52.86 52.90 2g5h s ASN 96 Cb -0.01 -1.03 -0.04 0.00 -0.55 0.00 0.00 41.25 39.62 2g5h s ASN 96 CO -0.03 -0.02 1.90 -0.62 -2.79 0.00 0.00 177.10 175.54 2g5h n GLU 97 N 4.43 2.22 0.08 0.43 4.71 -1.26 -0.54 120.64 130.71 2g5h n GLU 97 Ca -0.18 -2.65 0.00 0.00 -0.01 0.00 0.00 57.16 54.33 2g5h n GLU 97 Cb 0.51 -3.49 0.00 0.00 -1.01 0.00 0.00 31.44 27.45 2g5h n GLU 97 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2g5h n GLU 98 N 7.90 0.00 0.00 3.49 0.28 -1.26 -5.03 120.64 126.02 2g5h n GLU 98 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 2g5h n GLU 98 Cb 0.45 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.32 2g5h n GLU 98 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2g5h n ASP 99 N -2.83 0.00 0.00 -1.84 5.68 0.30 -5.26 116.55 112.59 2g5h n ASP 99 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2g5h n ASP 99 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2g5h n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87