#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g5i n VAL 4 N 0.00-10.08 -3.56 0.58 0.31 -1.26 -4.96 118.33 99.36 2g5i n VAL 4 Ca 0.00 0.98 -0.30 0.00 -0.01 0.00 0.00 64.34 65.00 2g5i n VAL 4 Cb 0.00 -6.61 -0.04 0.00 -0.91 0.00 0.00 33.84 26.28 2g5i n VAL 4 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2g5i s THR 5 N -2.21 5.09 0.11 2.52 -4.23 -1.26 -4.89 115.64 110.78 2g5i s THR 5 Ca 0.21 0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.61 2g5i s THR 5 Cb -0.05 -3.66 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 2g5i s THR 5 CO 0.76 -0.09 1.01 -1.14 -0.54 0.00 0.00 174.62 174.62 2g5i n ARG 6 N -0.27 -0.26 -0.19 3.99 0.63 -1.26 0.43 116.66 119.73 2g5i n ARG 6 Ca -0.02 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 2g5i n ARG 6 Cb 0.53 -1.46 0.10 0.00 0.45 0.00 0.00 32.46 32.08 2g5i n ARG 6 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2g5i h GLU 7 N 0.00 0.25 -0.87 -0.14 3.07 -1.98 0.22 114.58 115.13 2g5i h GLU 7 Ca 0.13 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.02 2g5i h GLU 7 Cb 0.29 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 2g5i h GLU 7 CO -0.62 0.17 0.55 1.49 -1.40 0.00 0.00 179.01 179.20 2g5i h GLU 8 N 0.26 1.01 -0.65 2.33 4.22 -0.41 0.96 114.58 122.30 2g5i h GLU 8 Ca 0.31 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 2g5i h GLU 8 Cb 0.45 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2g5i h GLU 8 CO -0.39 0.67 0.29 0.28 -2.18 0.00 0.00 179.01 177.68 2g5i h VAL 9 N 1.04 1.23 -0.25 0.32 2.07 -0.14 -0.32 116.25 120.20 2g5i h VAL 9 Ca 0.37 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2g5i h VAL 9 Cb 0.09 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2g5i h VAL 9 CO -0.15 0.27 -0.37 -0.33 0.02 0.00 0.00 177.57 177.02 2g5i h GLU 10 N 0.91 0.56 -0.06 1.57 5.08 0.88 -0.40 114.58 123.13 2g5i h GLU 10 Ca 0.22 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2g5i h GLU 10 Cb 0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2g5i h GLU 10 CO -0.02 0.85 0.03 1.25 -1.00 0.00 0.00 179.01 180.11 2g5i h HIS 11 N 0.47 0.08 0.74 4.33 2.76 0.14 0.64 115.15 124.31 2g5i h HIS 11 Ca 0.05 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 2g5i h HIS 11 Cb 0.86 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.79 2g5i h HIS 11 CO 0.03 0.17 -0.43 0.82 -1.30 0.00 0.00 177.93 177.22 2g5i h ILE 12 N -0.02 0.00 -1.39 6.26 2.04 -1.00 0.76 117.51 124.16 2g5i h ILE 12 Ca 0.02 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.29 2g5i h ILE 12 Cb 0.11 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 2g5i h ILE 12 CO -0.00 0.00 0.97 0.00 0.00 0.00 0.00 178.15 179.12 2g5i h ALA 13 N -1.31 3.15 0.10 1.87 0.00 -0.92 0.96 119.26 123.12 2g5i h ALA 13 Ca -0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2g5i h ALA 13 Cb 0.87 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.79 2g5i h ALA 13 CO 0.12 -1.60 -0.73 -0.97 0.00 0.00 0.00 179.25 176.07 2g5i h ASN 14 N 0.06 0.47 0.26 0.00 -0.73 0.15 -2.58 115.58 113.21 2g5i h ASN 14 Ca 0.70 -0.91 -0.01 0.00 1.87 0.00 0.00 56.30 57.96 2g5i h ASN 14 Cb 2.60 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 41.02 2g5i h ASN 14 CO -0.10 1.33 -0.32 -0.07 -0.37 0.00 0.00 177.43 177.91 2g5i h LEU 15 N -0.33 -0.88-10.26 0.34 3.38 0.74 -3.38 115.31 104.93 2g5i h LEU 15 Ca -0.12 0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.42 2g5i h LEU 15 Cb 1.53 0.30 0.08 0.00 0.09 0.00 0.00 40.66 42.67 2g5i h LEU 15 CO 0.14 -0.40 0.37 0.00 0.09 0.00 0.00 178.44 178.64 2g5i s ALA 16 N -4.84 2.66 -1.13 1.53 0.00 -0.16 -4.92 121.76 114.90 2g5i s ALA 16 Ca -0.11 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 2g5i s ALA 16 Cb 0.03 -3.22 0.20 0.00 0.00 0.00 0.00 23.12 20.13 2g5i s ALA 16 CO 0.37 -1.06 1.28 1.03 0.00 0.00 0.00 175.76 177.38 2g5i s ARG 17 N -4.48 4.05 -0.03 0.00 1.81 -1.26 -4.60 118.95 114.43 2g5i s ARG 17 Ca 0.62 -2.67 0.03 0.00 -1.72 0.00 0.00 55.73 51.99 2g5i s ARG 17 Cb -0.16 -4.88 0.00 0.00 -0.45 0.00 0.00 34.95 29.47 2g5i s ARG 17 CO 0.45 -1.60 -0.12 -0.51 -0.68 0.00 0.00 175.30 172.84 2g5i s LEU 18 N 0.84 1.82 -0.01 2.53 1.43 -0.97 -5.09 118.68 119.22 2g5i s LEU 18 Ca 0.37 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 2g5i s LEU 18 Cb -0.05 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.39 2g5i s LEU 18 CO -0.04 0.09 0.45 -1.58 0.23 0.00 0.00 176.35 175.51 2g5i s GLN 19 N 0.18 4.06 -0.13 1.70 0.74 -1.26 -4.53 119.66 120.42 2g5i s GLN 19 Ca -0.04 0.47 -0.06 0.00 0.05 0.00 0.00 55.36 55.78 2g5i s GLN 19 Cb -0.10 -3.27 0.06 0.00 1.10 0.00 0.00 33.01 30.79 2g5i s GLN 19 CO 0.01 0.57 0.28 0.96 -0.55 0.00 0.00 175.29 176.56 2g5i s ILE 20 N -0.71 -0.21 0.79 -2.34 -5.25 -1.26 -5.14 121.20 107.08 2g5i s ILE 20 Ca 0.25 0.19 -0.06 0.00 -0.99 0.00 0.00 60.65 60.04 2g5i s ILE 20 Cb -0.17 -0.45 0.14 0.00 2.95 0.00 0.00 42.46 44.94 2g5i s ILE 20 CO 0.14 0.08 1.10 -0.94 -1.79 0.00 0.00 174.94 173.52 2g5i s SER 21 N 1.79 4.00 0.00 4.36 1.04 -1.26 -4.86 113.70 118.77 2g5i s SER 21 Ca -0.05 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2g5i s SER 21 Cb -0.11 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2g5i s SER 21 CO -0.09 -2.11 0.00 -2.65 0.98 0.00 0.00 173.24 169.37 2g5i n PRO 22 N -3.13 0.00 0.00 4.02 -0.02 -1.26 -1.49 135.00 133.11 2g5i n PRO 22 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2g5i n PRO 22 Cb 0.60 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 2g5i n PRO 22 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2g5i n GLU 23 N -0.00 0.00 0.05 -0.52 2.13 -1.26 0.84 120.64 121.87 2g5i n GLU 23 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 2g5i n GLU 23 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2g5i n GLU 23 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2g5i n GLU 24 N -0.95 0.62 -0.01 5.31 1.02 -1.17 -4.00 120.64 121.45 2g5i n GLU 24 Ca 0.00 -0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 2g5i n GLU 24 Cb 0.00 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 29.65 2g5i n GLU 24 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2g5i h THR 25 N 0.00 1.41 0.00 2.62 2.02 3.57 0.14 112.91 122.67 2g5i h THR 25 Ca 0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.24 2g5i h THR 25 Cb 0.99 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 2g5i h THR 25 CO 0.00 0.57 0.00 -0.08 0.37 0.00 0.00 175.52 176.38 2g5i h GLU 26 N -0.04 0.00 0.02 6.66 4.57 -1.77 0.18 114.58 124.20 2g5i h GLU 26 Ca -0.05 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2g5i h GLU 26 Cb 1.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 2g5i h GLU 26 CO 0.10 0.00 -0.24 1.49 -1.18 0.00 0.00 179.01 179.19 2g5i h GLU 27 N 0.00 0.12 0.00 1.92 4.81 -1.66 -3.12 114.58 116.64 2g5i h GLU 27 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2g5i h GLU 27 Cb 0.53 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2g5i h GLU 27 CO 0.00 0.98 0.00 1.98 -0.73 0.00 0.00 179.01 181.24 2g5i h MET 28 N -0.66 0.00 -0.31 1.92 4.05 -0.33 -0.21 114.93 119.38 2g5i h MET 28 Ca -0.04 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.27 2g5i h MET 28 Cb 1.08 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.87 2g5i h MET 28 CO 0.05 0.00 -0.29 0.00 0.23 0.00 0.00 176.91 176.89 2g5i h ALA 29 N 2.01 0.90 0.13 0.39 0.00 -0.91 -1.66 119.26 120.13 2g5i h ALA 29 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2g5i h ALA 29 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2g5i h ALA 29 CO 0.00 0.62 -0.06 -0.91 0.00 0.00 0.00 179.25 178.90 2g5i h ASN 30 N 0.56 -0.15 -0.62 0.00 2.35 -1.06 -2.91 115.58 113.75 2g5i h ASN 30 Ca 0.07 0.01 0.12 0.00 -0.55 0.00 0.00 56.30 55.94 2g5i h ASN 30 Cb 0.78 0.04 -0.12 0.00 0.05 0.00 0.00 38.32 39.07 2g5i h ASN 30 CO 0.06 0.31 -0.26 0.71 -1.65 0.00 0.00 177.43 176.60 2g5i h THR 31 N -1.01 0.24 -0.89 2.81 1.35 -1.46 0.71 112.91 114.67 2g5i h THR 31 Ca -0.02 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 2g5i h THR 31 Cb 0.14 0.24 -0.05 0.00 -1.73 0.00 0.00 68.15 66.74 2g5i h THR 31 CO 0.03 0.00 0.58 0.25 -0.25 0.00 0.00 175.52 176.13 2g5i h LEU 32 N -0.09 0.92 -1.15 3.87 7.12 -1.45 0.15 115.31 124.67 2g5i h LEU 32 Ca 0.27 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.31 2g5i h LEU 32 Cb 0.53 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.41 2g5i h LEU 32 CO -0.68 0.61 0.58 -0.08 -0.13 0.00 0.00 178.44 178.74 2g5i h GLU 33 N 1.05 1.09 0.28 1.25 4.22 0.50 -1.23 114.58 121.74 2g5i h GLU 33 Ca 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.73 2g5i h GLU 33 Cb 0.12 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2g5i h GLU 33 CO -0.13 0.72 -0.14 0.77 -2.18 0.00 0.00 179.01 178.06 2g5i h SER 34 N 1.13 -0.32 -0.91 1.04 0.02 0.15 -1.80 113.55 112.86 2g5i h SER 34 Ca 0.34 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.42 2g5i h SER 34 Cb -0.02 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 62.47 2g5i h SER 34 CO -0.10 0.09 -0.50 0.40 -1.14 0.00 0.00 176.83 175.59 2g5i h ILE 35 N -1.03 0.01 -0.96 3.27 2.04 -0.79 0.69 117.51 120.74 2g5i h ILE 35 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.94 2g5i h ILE 35 Cb 0.29 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 2g5i h ILE 35 CO 0.06 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.76 2g5i h LEU 36 N -0.05 0.85 -1.05 1.44 3.38 -1.32 0.50 115.31 119.06 2g5i h LEU 36 Ca 0.22 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2g5i h LEU 36 Cb 0.51 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2g5i h LEU 36 CO -0.91 0.45 0.61 -0.78 0.09 0.00 0.00 178.44 177.91 2g5i h ASP 37 N 0.91 1.09 0.01 -0.43 1.82 0.12 -0.90 116.42 119.04 2g5i h ASP 37 Ca 0.48 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2g5i h ASP 37 Cb 0.53 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2g5i h ASP 37 CO -0.24 0.80 -0.00 0.15 -1.61 0.00 0.00 179.24 178.34 2g5i h PHE 38 N 1.28 -0.01 0.00 0.28 3.57 0.23 -2.83 116.94 119.46 2g5i h PHE 38 Ca 0.34 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2g5i h PHE 38 Cb -0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2g5i h PHE 38 CO 0.00 0.25 0.00 0.00 -2.23 0.00 0.00 178.31 176.33 2g5i h ALA 39 N 0.72 1.00 0.00 2.41 0.00 0.51 -1.27 119.26 122.62 2g5i h ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g5i h ALA 39 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2g5i h ALA 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2g5i n LYS 40 N -2.60 0.18 -0.34 0.00 4.76 -0.41 -3.12 118.16 116.63 2g5i n LYS 40 Ca -0.02 0.51 0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2g5i n LYS 40 Cb 0.08 -1.92 0.28 0.00 -1.84 0.00 0.00 35.03 31.62 2g5i n LYS 40 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2g5i h GLN 41 N 0.00 0.77 0.00 1.97 4.20 -1.39 -0.10 115.11 120.56 2g5i h GLN 41 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2g5i h GLN 41 Cb 0.23 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2g5i h GLN 41 CO 0.00 0.51 0.14 -0.91 -0.67 0.00 0.00 178.83 177.91 2g5i h ASN 42 N 0.80 0.00 0.45 1.46 2.35 -1.80 -0.38 115.58 118.45 2g5i h ASN 42 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 2g5i h ASN 42 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2g5i h ASN 42 CO -0.35 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 175.90 2g5i n ASP 43 N -2.24 0.06 0.01 5.81 8.00 -0.05 -0.89 116.55 127.25 2g5i n ASP 43 Ca -0.01 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.12 2g5i n ASP 43 Cb 0.17 -0.53 0.24 0.00 -0.02 0.00 0.00 41.12 40.99 2g5i n ASP 43 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2g5i n SER 44 N -1.57 0.51 -4.65 -2.24 7.64 -0.15 -4.78 113.62 108.38 2g5i n SER 44 Ca 0.03 -0.20 -0.41 0.00 1.01 0.00 0.00 58.87 59.30 2g5i n SER 44 Cb 0.15 0.25 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 2g5i n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2g5i s ALA 45 N -3.02 3.58 -0.46 -0.43 0.00 -0.07 -5.00 121.76 116.36 2g5i s ALA 45 Ca 0.10 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 2g5i s ALA 45 Cb 0.17 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 20.13 2g5i s ALA 45 CO 0.70 -0.74 1.37 0.34 0.00 0.00 0.00 175.76 177.44 2g5i s ASP 46 N 1.26 6.32 -0.27 0.00 2.15 -1.26 -4.87 116.67 120.00 2g5i s ASP 46 Ca 0.34 0.63 0.09 0.00 0.43 0.00 0.00 52.55 54.05 2g5i s ASP 46 Cb -0.16 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.37 2g5i s ASP 46 CO 0.10 -1.48 1.19 0.35 -0.17 0.00 0.00 175.17 175.16 2g5i n THR 47 N 7.00 2.31 -2.44 1.71 -2.24 -1.26 -4.98 114.28 114.38 2g5i n THR 47 Ca 0.15 -3.86 -0.43 0.00 -2.27 0.00 0.00 64.05 57.64 2g5i n THR 47 Cb 0.48 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 2g5i n THR 47 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2g5i s GLU 48 N -3.47 3.68 -0.43 -0.78 2.12 -1.26 -3.50 118.70 115.06 2g5i s GLU 48 Ca 0.46 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.67 2g5i s GLU 48 Cb 0.39 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.82 2g5i s GLU 48 CO 0.01 -1.43 0.00 0.41 -0.54 0.00 0.00 175.26 173.71 2g5i n GLY 49 N 4.86 0.67 3.76 -1.50 0.00 -1.26 -5.01 105.19 106.72 2g5i n GLY 49 Ca 0.15 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 2g5i n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g5i s VAL 50 N -2.01 5.41 0.47 1.61 0.11 -1.23 -5.07 120.40 119.70 2g5i s VAL 50 Ca 0.00 0.24 -0.23 0.00 -2.93 0.00 0.00 61.98 59.06 2g5i s VAL 50 Cb 0.00 -3.47 -0.07 0.00 -1.53 0.00 0.00 36.38 31.31 2g5i s VAL 50 CO 0.00 0.48 1.19 -1.61 -3.33 0.00 0.00 175.10 171.83 2g5i s GLU 51 N 0.05 3.66 0.25 1.54 0.41 -1.26 -5.00 118.70 118.34 2g5i s GLU 51 Ca 0.11 1.84 -0.30 0.00 -0.41 0.00 0.00 54.97 56.21 2g5i s GLU 51 Cb -0.11 -2.37 -0.09 0.00 -1.78 0.00 0.00 34.13 29.77 2g5i s GLU 51 CO 0.00 -0.65 1.02 -2.14 -0.49 0.00 0.00 175.26 172.99 2g5i s PRO 52 N -2.74 4.74 -0.28 0.39 0.02 -1.26 -5.01 135.00 130.87 2g5i s PRO 52 Ca 0.65 1.63 -0.22 0.00 0.02 0.00 0.00 61.00 63.09 2g5i s PRO 52 Cb -0.30 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 2g5i s PRO 52 CO 0.36 0.35 0.71 0.99 -0.33 0.00 0.00 177.00 179.08 2g5i s THR 53 N -1.05 4.90 -0.23 0.99 2.01 -1.26 -4.91 115.64 116.08 2g5i s THR 53 Ca 0.43 1.16 -0.06 0.00 0.31 0.00 0.00 61.69 63.54 2g5i s THR 53 Cb -0.29 -4.04 -0.18 0.00 0.01 0.00 0.00 72.50 68.01 2g5i s THR 53 CO 0.36 -0.10 -0.09 -1.22 -0.69 0.00 0.00 174.62 172.88 2g5i n TYR 54 N 5.93 0.37 -4.42 4.92 4.01 -1.26 -4.94 117.16 121.77 2g5i n TYR 54 Ca 0.02 0.10 -0.22 0.00 -0.16 0.00 0.00 57.90 57.64 2g5i n TYR 54 Cb 0.48 -1.05 -0.16 0.00 -0.31 0.00 0.00 39.34 38.31 2g5i n TYR 54 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2g5i s HIS 55 N -2.51 1.10 -0.19 -0.72 3.76 -1.26 -5.02 115.29 110.45 2g5i s HIS 55 Ca -0.33 -0.33 0.16 0.00 -0.15 0.00 0.00 55.06 54.41 2g5i s HIS 55 Cb 0.09 -0.82 0.07 0.00 1.11 0.00 0.00 32.58 33.04 2g5i s HIS 55 CO 0.61 -0.18 1.40 -0.39 -0.85 0.00 0.00 174.74 175.33 2g5i h VAL 56 N 5.76 0.72 -3.62 -0.90 -1.51 -2.03 -3.43 116.25 111.25 2g5i h VAL 56 Ca -0.34 -2.04 -0.67 0.00 -1.23 0.00 0.00 66.70 62.42 2g5i h VAL 56 Cb 1.17 2.32 -0.17 0.00 -2.13 0.00 0.00 31.29 32.49 2g5i h VAL 56 CO 0.48 0.41 -0.20 -0.22 -1.23 0.00 0.00 177.57 176.81 2g5i s LEU 57 N -6.35 4.53 0.00 4.19 0.20 -1.26 -4.96 118.68 115.03 2g5i s LEU 57 Ca 0.04 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.56 2g5i s LEU 57 Cb 0.07 -2.42 0.00 0.00 -0.43 0.00 0.00 46.19 43.42 2g5i s LEU 57 CO 0.74 -0.44 0.47 0.47 -0.29 0.00 0.00 176.35 177.30 2g5i n ASP 58 N 5.54 1.38 -3.05 3.68 10.43 -1.26 -4.88 116.55 128.39 2g5i n ASP 58 Ca -0.07 -1.03 -0.04 0.00 2.57 0.00 0.00 54.79 56.22 2g5i n ASP 58 Cb 0.49 -0.26 0.04 0.00 1.84 0.00 0.00 41.12 43.22 2g5i n ASP 58 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2g5i n LEU 59 N 0.66 0.00 -3.64 0.64 7.94 -1.26 -5.06 117.00 116.27 2g5i n LEU 59 Ca 0.00 -0.10 -0.04 0.00 -1.11 0.00 0.00 56.01 54.76 2g5i n LEU 59 Cb 0.24 -0.13 -0.07 0.00 0.53 0.00 0.00 43.42 43.99 2g5i n LEU 59 CO 0.00 -1.60 0.86 -1.10 -1.11 0.00 0.00 177.39 174.45 2g5i s GLN 60 N -2.76 0.29 -0.98 1.96 -0.21 -1.26 -5.05 119.66 111.65 2g5i s GLN 60 Ca 0.08 0.41 -0.13 0.00 0.02 0.00 0.00 55.36 55.74 2g5i s GLN 60 Cb -0.01 0.11 0.00 0.00 1.00 0.00 0.00 33.01 34.11 2g5i s GLN 60 CO 0.07 -0.05 0.70 0.09 -2.12 0.00 0.00 175.29 173.98 2g5i n ASN 61 N 2.63 -5.39 -4.38 5.90 5.03 -1.26 -4.94 115.26 112.85 2g5i n ASN 61 Ca -0.14 -0.89 -0.45 0.00 0.87 0.00 0.00 54.58 53.97 2g5i n ASN 61 Cb 0.57 -2.83 -0.05 0.00 -1.02 0.00 0.00 39.78 36.44 2g5i n ASN 61 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2g5i s VAL 62 N -3.23 4.95 -0.04 2.41 1.01 -1.26 -5.03 120.40 119.21 2g5i s VAL 62 Ca 0.24 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.33 2g5i s VAL 62 Cb -0.10 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 2g5i s VAL 62 CO 0.87 -0.93 -0.24 -0.76 0.00 0.00 0.00 175.10 174.04 2g5i s LEU 63 N 2.36 2.05 0.06 3.92 2.01 -1.26 -5.12 118.68 122.70 2g5i s LEU 63 Ca 0.10 -0.47 -0.24 0.00 0.01 0.00 0.00 54.13 53.53 2g5i s LEU 63 Cb -0.24 -1.30 -0.06 0.00 0.01 0.00 0.00 46.19 44.61 2g5i s LEU 63 CO 0.07 0.27 0.75 -0.60 1.01 0.00 0.00 176.35 177.85 2g5i s ARG 64 N -0.35 4.48 0.18 1.70 3.52 -1.26 -5.02 118.95 122.21 2g5i s ARG 64 Ca 0.03 1.04 -0.31 0.00 -0.13 0.00 0.00 55.73 56.36 2g5i s ARG 64 Cb -0.12 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 2g5i s ARG 64 CO 0.01 0.34 1.45 -1.21 -0.81 0.00 0.00 175.30 175.08 2g5i s GLU 65 N -0.25 4.28 -0.75 5.12 8.01 -1.26 -4.87 118.70 128.98 2g5i s GLU 65 Ca 0.37 2.23 -0.23 0.00 0.01 0.00 0.00 54.97 57.36 2g5i s GLU 65 Cb -0.21 -3.17 -0.17 0.00 -4.31 0.00 0.00 34.13 26.28 2g5i s GLU 65 CO 0.23 -0.46 1.91 -3.47 0.01 0.00 0.00 175.26 173.48 2g5i n ASP 66 N 3.28 2.46 -4.04 -0.19 2.03 -1.26 -4.85 116.55 113.98 2g5i n ASP 66 Ca 0.10 -2.67 -0.28 0.00 0.52 0.00 0.00 54.79 52.46 2g5i n ASP 66 Cb 0.41 -1.10 -0.17 0.00 -0.72 0.00 0.00 41.12 39.54 2g5i n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2g5i s LYS 67 N 5.15 2.13 0.39 -0.67 2.36 -1.26 -5.13 119.74 122.72 2g5i s LYS 67 Ca 0.58 -0.53 -0.23 0.00 -2.55 0.00 0.00 55.97 53.25 2g5i s LYS 67 Cb 0.14 -1.84 -0.11 0.00 -1.05 0.00 0.00 37.83 34.98 2g5i s LYS 67 CO 0.13 -0.08 0.95 0.00 1.55 0.00 0.00 175.35 177.90 2g5i s ALA 68 N 1.03 3.10 -0.11 3.13 0.00 -1.26 -5.07 121.76 122.58 2g5i s ALA 68 Ca -0.06 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.37 2g5i s ALA 68 Cb -0.15 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2g5i s ALA 68 CO -0.02 0.14 -0.16 0.42 0.00 0.00 0.00 175.76 176.14 2g5i s ILE 69 N -1.98 1.54 0.24 0.00 1.09 -1.26 -5.11 121.20 115.72 2g5i s ILE 69 Ca 0.58 -0.66 -0.26 0.00 -1.10 0.00 0.00 60.65 59.21 2g5i s ILE 69 Cb -0.12 -1.40 -0.16 0.00 -1.06 0.00 0.00 42.46 39.71 2g5i s ILE 69 CO 0.17 0.45 0.41 1.17 -0.10 0.00 0.00 174.94 177.04 2g5i n LYS 70 N 4.20 0.00 -2.42 2.79 3.00 -1.26 -4.93 118.16 119.55 2g5i n LYS 70 Ca -0.19 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.80 2g5i n LYS 70 Cb 0.51 -0.98 -0.03 0.00 0.00 0.00 0.00 35.03 34.52 2g5i n LYS 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2g5i s GLY 71 N -0.98 2.12 0.55 3.14 0.00 -1.26 -5.03 107.32 105.85 2g5i s GLY 71 Ca 0.62 0.24 -0.19 0.00 0.00 0.00 0.00 44.72 45.39 2g5i s GLY 71 CO 0.57 0.52 1.09 -0.26 0.00 0.00 0.00 173.10 175.02 2g5i s ILE 72 N -2.54 3.44 0.36 0.90 -4.36 -1.26 -4.97 121.20 112.77 2g5i s ILE 72 Ca 0.60 0.84 -0.27 0.00 -0.26 0.00 0.00 60.65 61.56 2g5i s ILE 72 Cb -0.11 -3.33 -0.12 0.00 1.25 0.00 0.00 42.46 40.16 2g5i s ILE 72 CO 0.29 -0.25 1.22 -2.65 0.24 0.00 0.00 174.94 173.80 2g5i n PRO 73 N -1.42 1.92 -0.32 0.37 -0.02 -1.26 -4.75 135.00 129.51 2g5i n PRO 73 Ca 0.10 0.67 0.34 0.00 -2.02 0.00 0.00 63.50 62.59 2g5i n PRO 73 Cb 0.52 -2.25 0.72 0.00 -0.02 0.00 0.00 33.50 32.48 2g5i n PRO 73 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2g5i h GLN 74 N 2.29 0.04 0.05 -0.52 4.15 -2.00 0.48 115.11 119.61 2g5i h GLN 74 Ca -0.45 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.97 2g5i h GLN 74 Cb 1.30 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.94 2g5i h GLN 74 CO 0.61 0.03 -0.38 1.49 -1.93 0.00 0.00 178.83 178.66 2g5i h GLU 75 N 0.04 -0.49 -0.21 1.69 4.57 -1.99 -2.19 114.58 116.00 2g5i h GLU 75 Ca 0.56 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.77 2g5i h GLU 75 Cb 2.16 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.86 2g5i h GLU 75 CO -0.04 -0.33 0.10 -0.07 -1.18 0.00 0.00 179.01 177.49 2g5i h LEU 76 N -0.51 0.28 -0.74 1.64 3.38 -1.26 -0.06 115.31 118.04 2g5i h LEU 76 Ca 0.00 -0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.00 2g5i h LEU 76 Cb 0.52 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.06 2g5i h LEU 76 CO -0.22 0.32 -0.21 0.00 0.09 0.00 0.00 178.44 178.42 2g5i h ALA 77 N 0.97 0.43 0.00 1.53 0.00 -1.36 -1.63 119.26 119.20 2g5i h ALA 77 Ca 0.07 0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2g5i h ALA 77 Cb 0.12 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2g5i h ALA 77 CO -0.01 -0.44 -0.33 -0.07 0.00 0.00 0.00 179.25 178.40 2g5i h LEU 78 N -0.02 0.00 -2.00 0.00 3.38 -1.18 -3.39 115.31 112.10 2g5i h LEU 78 Ca 0.35 0.00 0.56 0.00 0.09 0.00 0.00 57.88 58.88 2g5i h LEU 78 Cb 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 2g5i h LEU 78 CO -0.77 0.33 1.39 0.50 0.09 0.00 0.00 178.44 179.97 2g5i h LYS 79 N 0.00 0.00 -0.11 1.13 3.64 0.02 -0.41 116.57 120.84 2g5i h LYS 79 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2g5i h LYS 79 Cb 1.19 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2g5i h LYS 79 CO 0.04 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 2g5i n ASN 80 N -3.95 2.36 -4.77 4.20 3.02 -1.26 -4.97 115.26 109.89 2g5i n ASN 80 Ca 0.43 -1.67 -0.38 0.00 -0.03 0.00 0.00 54.58 52.94 2g5i n ASN 80 Cb 1.97 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 41.02 2g5i n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g5i s ALA 81 N -1.10 3.54 0.02 5.41 0.00 -0.16 -5.00 121.76 124.48 2g5i s ALA 81 Ca 0.19 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 2g5i s ALA 81 Cb 0.12 -2.60 -0.21 0.00 0.00 0.00 0.00 23.12 20.42 2g5i s ALA 81 CO 0.17 0.20 1.16 -0.22 0.00 0.00 0.00 175.76 177.07 2g5i h LYS 82 N 5.75 0.48 -4.64 0.00 3.64 -1.93 -3.43 116.57 116.44 2g5i h LYS 82 Ca -0.45 -0.46 -0.70 0.00 -1.27 0.00 0.00 60.65 57.76 2g5i h LYS 82 Cb 1.20 0.12 -0.26 0.00 -0.41 0.00 0.00 32.23 32.87 2g5i h LYS 82 CO 0.69 1.10 -0.56 -1.21 -2.27 0.00 0.00 179.45 177.21 2g5i s GLU 83 N -3.39 2.74 0.01 1.90 0.41 -1.26 -5.07 118.70 114.03 2g5i s GLU 83 Ca -0.13 -1.12 -0.10 0.00 -0.41 0.00 0.00 54.97 53.21 2g5i s GLU 83 Cb 0.05 -3.59 0.01 0.00 -1.78 0.00 0.00 34.13 28.81 2g5i s GLU 83 CO 0.83 -0.67 0.21 0.95 -0.49 0.00 0.00 175.26 176.08 2g5i s THR 84 N 1.48 0.08 -0.02 3.63 -4.23 -1.26 -1.31 115.64 114.01 2g5i s THR 84 Ca 0.00 -0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.53 2g5i s THR 84 Cb -0.19 -0.64 0.08 0.00 1.34 0.00 0.00 72.50 73.08 2g5i s THR 84 CO 0.05 -0.38 0.70 -0.70 -0.54 0.00 0.00 174.62 173.75 2g5i s GLU 85 N -1.76 1.05 -0.18 3.99 2.12 -0.99 -4.91 118.70 118.03 2g5i s GLU 85 Ca -0.11 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2g5i s GLU 85 Cb -0.05 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.84 2g5i s GLU 85 CO 0.01 -0.36 0.00 -0.25 -0.54 0.00 0.00 175.26 174.12 2g5i n ASP 86 N 0.62 -3.61 -0.23 -1.70 8.00 -1.26 -0.83 116.55 117.53 2g5i n ASP 86 Ca -0.18 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2g5i n ASP 86 Cb 0.59 -2.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.25 2g5i n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g5i n GLY 87 N 0.50 0.99 3.49 0.44 0.00 -1.26 -5.09 105.19 104.26 2g5i n GLY 87 Ca -0.02 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 2g5i n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g5i s GLN 88 N -2.88 1.50 -0.04 1.61 -0.21 -0.01 -5.11 119.66 114.52 2g5i s GLN 88 Ca 0.00 -1.39 -0.25 0.00 0.02 0.00 0.00 55.36 53.74 2g5i s GLN 88 Cb 0.00 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.39 2g5i s GLN 88 CO 0.00 -0.60 0.78 -0.06 -2.12 0.00 0.00 175.29 173.29 2g5i s PHE 89 N -3.95 3.61 -0.30 0.91 0.08 -1.26 -2.34 117.98 114.73 2g5i s PHE 89 Ca 0.27 1.39 -0.13 0.00 0.12 0.00 0.00 56.93 58.58 2g5i s PHE 89 Cb 0.01 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.53 2g5i s PHE 89 CO 0.11 0.07 0.26 0.21 -0.10 0.00 0.00 175.22 175.77 2g5i s LYS 90 N 0.80 3.83 -0.00 0.44 2.20 -0.43 -4.90 119.74 121.67 2g5i s LYS 90 Ca 0.42 -0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2g5i s LYS 90 Cb -0.19 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2g5i s LYS 90 CO 0.21 -0.29 0.01 0.14 -0.36 0.00 0.00 175.35 175.05 2g5i s VAL 91 N 1.85 -0.00 1.06 4.02 -7.23 -1.26 -4.77 120.40 114.06 2g5i s VAL 91 Ca 0.09 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.10 2g5i s VAL 91 Cb -0.16 -0.02 0.12 0.00 0.56 0.00 0.00 36.38 36.88 2g5i s VAL 91 CO 0.11 0.00 0.07 -2.65 -0.31 0.00 0.00 175.10 172.32 2g5i n PRO 92 N 3.12 -1.91 0.00 4.82 -0.02 -1.26 -4.98 135.00 134.78 2g5i n PRO 92 Ca -0.13 -0.56 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 2g5i n PRO 92 Cb 0.60 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2g5i n PRO 92 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2g5i n THR 93 N -4.37 0.00 -0.32 3.45 5.66 -1.26 -4.88 114.28 112.56 2g5i n THR 93 Ca 0.03 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.00 2g5i n THR 93 Cb 0.48 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 2g5i n THR 93 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 2g5i n ILE 94 N 0.00 1.02 -1.91 1.09 -5.35 -1.26 -4.83 119.36 108.11 2g5i n ILE 94 Ca 0.00 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2g5i n ILE 94 Cb 0.36 -1.53 0.00 0.00 -1.74 0.00 0.00 39.64 36.74 2g5i n ILE 94 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2g5i n MET 95 N 2.48 0.00 -2.86 6.28 2.81 -1.26 -4.67 117.12 119.91 2g5i n MET 95 Ca 0.11 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.60 2g5i n MET 95 Cb 0.30 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.76 2g5i n MET 95 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2g5i s ASN 96 N -4.00 7.41 0.00 7.83 -0.87 -1.26 -4.92 114.94 119.13 2g5i s ASN 96 Ca 0.00 1.68 0.00 0.00 -1.57 0.00 0.00 52.86 52.97 2g5i s ASN 96 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 2g5i s ASN 96 CO 0.00 0.04 0.20 -0.62 -2.57 0.00 0.00 177.10 174.15 2g5i n GLU 97 N 2.40 0.00 -0.66 -0.60 4.71 -1.26 0.91 120.64 126.14 2g5i n GLU 97 Ca -0.01 0.20 -0.01 0.00 -0.01 0.00 0.00 57.16 57.32 2g5i n GLU 97 Cb 0.49 -0.66 0.23 0.00 -1.01 0.00 0.00 31.44 30.49 2g5i n GLU 97 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2g5i n GLU 98 N -0.41 3.11 0.00 3.49 4.71 -1.26 -3.79 120.64 126.48 2g5i n GLU 98 Ca 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 57.16 55.08 2g5i n GLU 98 Cb 0.00 -1.95 0.00 0.00 -1.01 0.00 0.00 31.44 28.48 2g5i n GLU 98 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2g5i n ASP 99 N 0.13 0.00 0.00 1.62 4.64 -1.22 -5.30 116.55 116.42 2g5i n ASP 99 Ca 0.25 0.00 0.01 0.00 -1.38 0.00 0.00 54.79 53.66 2g5i n ASP 99 Cb 1.00 -0.12 0.05 0.00 -1.04 0.00 0.00 41.12 41.01 2g5i n ASP 99 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38