#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs s ALA 2 N 0.00 2.05 -0.05 2.33 0.00 -1.26 -5.07 121.76 119.76 2gbs s ALA 2 Ca 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.32 2gbs s ALA 2 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2gbs s ALA 2 CO 0.00 0.04 -0.23 0.71 0.00 0.00 0.00 175.76 176.28 2gbs s TYR 3 N -2.99 2.21 0.38 0.00 2.02 -1.23 -2.47 117.35 115.27 2gbs s TYR 3 Ca 0.24 -0.60 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 2gbs s TYR 3 Cb 0.00 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 2gbs s TYR 3 CO 0.07 -0.17 0.13 -1.58 -1.57 0.00 0.00 175.55 172.43 2gbs s TRP 4 N -0.20 1.78 -0.12 2.71 0.52 0.24 -0.40 118.94 123.47 2gbs s TRP 4 Ca -0.01 -1.26 -0.05 0.00 0.02 0.00 0.00 56.10 54.80 2gbs s TRP 4 Cb -0.12 -1.13 0.06 0.00 -1.15 0.00 0.00 33.47 31.13 2gbs s TRP 4 CO 0.02 -0.30 0.25 -1.17 0.02 0.00 0.00 176.95 175.78 2gbs s LEU 5 N -3.56 -0.05 -0.11 2.99 0.20 -0.00 -0.80 118.68 117.35 2gbs s LEU 5 Ca 0.27 0.56 -0.02 0.00 0.69 0.00 0.00 54.13 55.63 2gbs s LEU 5 Cb 0.04 0.70 -0.03 0.00 -0.43 0.00 0.00 46.19 46.47 2gbs s LEU 5 CO 0.15 -0.21 -0.03 0.68 -0.29 0.00 0.00 176.35 176.65 2gbs s VAL 6 N 2.00 4.03 -0.51 1.68 -7.23 -0.71 -0.33 120.40 119.33 2gbs s VAL 6 Ca -0.02 -0.34 -0.19 0.00 -1.81 0.00 0.00 61.98 59.62 2gbs s VAL 6 Cb -0.11 -2.71 0.06 0.00 0.56 0.00 0.00 36.38 34.18 2gbs s VAL 6 CO -0.08 0.56 0.64 -0.54 -0.31 0.00 0.00 175.10 175.36 2gbs s LYS 7 N -0.42 3.12 -0.21 4.82 1.02 -0.64 -2.41 119.74 125.02 2gbs s LYS 7 Ca 0.07 -0.90 -0.04 0.00 0.02 0.00 0.00 55.97 55.13 2gbs s LYS 7 Cb -0.12 -4.11 -0.01 0.00 -0.52 0.00 0.00 37.83 33.07 2gbs s LYS 7 CO 0.02 -1.24 -0.04 0.45 -0.92 0.00 0.00 175.35 173.61 2gbs s SER 8 N 2.74 4.34 -0.32 2.83 0.15 -0.21 -4.88 113.70 118.35 2gbs s SER 8 Ca 0.15 -0.36 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 2gbs s SER 8 Cb -0.19 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 2gbs s SER 8 CO 0.12 0.00 1.04 -1.61 1.20 0.00 0.00 173.24 173.99 2gbs s GLU 9 N 1.34 4.05 0.40 5.44 2.02 -1.26 -0.57 118.70 130.12 2gbs s GLU 9 Ca 0.04 1.02 0.28 0.00 0.02 0.00 0.00 54.97 56.32 2gbs s GLU 9 Cb -0.14 -3.74 1.45 0.00 0.10 0.00 0.00 34.13 31.80 2gbs s GLU 9 CO -0.02 -0.87 1.84 -1.00 0.02 0.00 0.00 175.26 175.23 2gbs h PRO 10 N 8.09 0.00 0.00 0.39 0.13 -1.73 0.19 132.00 139.07 2gbs h PRO 10 Ca -0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 2gbs h PRO 10 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2gbs h PRO 10 CO 1.02 0.00 -0.29 0.77 -0.23 0.00 0.00 178.00 179.26 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.02 -1.91 -3.35 113.55 109.76 2gbs h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gbs h SER 11 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2gbs h SER 11 CO 0.00 0.29 -0.48 0.52 -1.14 0.00 0.00 176.83 176.02 2gbs n VAL 12 N -4.18 0.95 -4.17 2.27 0.31 0.60 -5.02 118.33 109.09 2gbs n VAL 12 Ca -0.02 0.29 -0.16 0.00 -0.01 0.00 0.00 64.34 64.44 2gbs n VAL 12 Cb 0.34 -2.07 -0.13 0.00 -0.91 0.00 0.00 33.84 31.06 2gbs n VAL 12 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2gbs s TRP 13 N -2.01 0.63 0.37 3.52 -0.11 -0.73 -5.09 118.94 115.52 2gbs s TRP 13 Ca -0.14 -0.24 0.06 0.00 1.22 0.00 0.00 56.10 57.01 2gbs s TRP 13 Cb 0.02 -0.39 -0.07 0.00 -1.50 0.00 0.00 33.47 31.52 2gbs s TRP 13 CO 0.21 -0.03 0.00 -1.54 -4.62 0.00 0.00 176.95 170.97 2gbs s SER 14 N -0.65 3.39 0.29 5.86 1.04 -1.26 -3.31 113.70 119.05 2gbs s SER 14 Ca -0.01 -1.34 0.05 0.00 0.48 0.00 0.00 55.95 55.13 2gbs s SER 14 Cb -0.05 -0.30 0.43 0.00 0.10 0.00 0.00 66.02 66.20 2gbs s SER 14 CO 0.00 -0.45 1.69 -0.25 0.98 0.00 0.00 173.24 175.21 2gbs h TRP 15 N 1.93 0.34 -0.82 5.02 2.91 -1.97 -2.82 115.95 120.54 2gbs h TRP 15 Ca -0.43 -0.09 0.05 0.00 1.13 0.00 0.00 58.89 59.56 2gbs h TRP 15 Cb 1.24 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 29.76 2gbs h TRP 15 CO 0.69 0.65 0.51 -0.44 -1.03 0.00 0.00 178.44 178.82 2gbs h ASP 16 N 0.25 0.81 -0.37 2.65 5.19 -1.99 0.51 116.42 123.47 2gbs h ASP 16 Ca 0.02 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 2gbs h ASP 16 Cb 0.81 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2gbs h ASP 16 CO 0.06 0.53 -0.03 1.56 -3.12 0.00 0.00 179.24 178.25 2gbs h GLN 17 N 0.95 0.77 -0.23 3.56 1.08 -1.91 -0.42 115.11 118.90 2gbs h GLN 17 Ca 0.35 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2gbs h GLN 17 Cb 0.12 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2gbs h GLN 17 CO -0.16 0.79 0.07 1.96 -0.95 0.00 0.00 178.83 180.54 2gbs h GLN 18 N 0.71 0.36 -0.39 1.46 1.08 -1.07 -2.56 115.11 114.70 2gbs h GLN 18 Ca 0.14 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2gbs h GLN 18 Cb 0.47 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2gbs h GLN 18 CO 0.02 0.45 0.08 0.28 -0.95 0.00 0.00 178.83 178.72 2gbs h VAL 19 N 0.19 1.18 -0.62 -0.54 2.07 -0.71 0.47 116.25 118.29 2gbs h VAL 19 Ca 0.07 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2gbs h VAL 19 Cb 0.25 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2gbs h VAL 19 CO -0.00 0.24 0.38 0.00 0.02 0.00 0.00 177.57 178.20 2gbs h ALA 20 N 1.53 1.50 0.18 1.67 0.00 -0.86 -2.82 119.26 120.47 2gbs h ALA 20 Ca 0.13 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.68 2gbs h ALA 20 Cb 0.24 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2gbs h ALA 20 CO -0.00 0.44 -1.41 0.87 0.00 0.00 0.00 179.25 179.14 2gbs h LYS 21 N 0.85 0.38 0.00 0.00 1.57 -0.93 -3.48 116.57 114.96 2gbs h LYS 21 Ca 0.22 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2gbs h LYS 21 Cb -0.04 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2gbs h LYS 21 CO -0.04 1.31 0.00 0.41 -0.57 0.00 0.00 179.45 180.55 2gbs n GLY 22 N 1.76 0.62 0.84 3.86 0.00 0.16 -1.70 105.19 110.73 2gbs n GLY 22 Ca -0.21 0.52 0.10 0.00 0.00 0.00 0.00 46.02 46.44 2gbs n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbs n ALA 23 N 6.59 2.46 0.11 4.61 0.00 -1.26 -3.87 120.51 129.15 2gbs n ALA 23 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 53.44 52.50 2gbs n ALA 23 Cb 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs h ALA 24 N 4.14 0.05 0.00 0.00 0.00 -1.69 -3.50 119.26 118.26 2gbs h ALA 24 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 2gbs h ALA 24 Cb 0.69 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2gbs h ALA 24 CO 0.00 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.53 2gbs n GLY 25 N 1.51 -1.43 3.44 0.00 0.00 -1.25 -5.03 105.19 102.42 2gbs n GLY 25 Ca -0.11 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 2gbs n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gbs s GLU 26 N -1.76 0.57 -0.38 1.61 2.56 -0.36 -4.94 118.70 116.00 2gbs s GLU 26 Ca 0.00 0.89 -0.27 0.00 0.00 0.00 0.00 54.97 55.60 2gbs s GLU 26 Cb 0.00 0.15 0.02 0.00 2.00 0.00 0.00 34.13 36.30 2gbs s GLU 26 CO 0.00 -0.12 0.97 0.00 -0.56 0.00 0.00 175.26 175.55 2gbs s ALA 27 N 1.03 3.39 -1.23 6.30 0.00 -1.26 -1.19 121.76 128.80 2gbs s ALA 27 Ca -0.06 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 2gbs s ALA 27 Cb -0.06 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 2gbs s ALA 27 CO -0.09 -1.68 1.89 1.87 0.00 0.00 0.00 175.76 177.75 2gbs n TRP 28 N 6.93 3.59 -3.84 0.00 -0.00 0.16 -4.92 117.44 119.35 2gbs n TRP 28 Ca 0.08 -2.31 -0.35 0.00 -0.00 0.00 0.00 57.50 54.92 2gbs n TRP 28 Cb 0.48 -2.52 -0.05 0.00 -0.00 0.00 0.00 31.31 29.22 2gbs n TRP 28 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2gbs s THR 29 N 6.33 5.41 0.00 5.87 -4.23 -1.26 -3.61 115.64 124.15 2gbs s THR 29 Ca 0.58 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 2gbs s THR 29 Cb 0.05 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2gbs s THR 29 CO 0.08 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2gbs n GLY 30 N 1.48 1.31 3.55 3.99 0.00 -1.26 -5.03 105.19 109.24 2gbs n GLY 30 Ca -0.15 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2gbs n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gbs s VAL 31 N -2.09 3.66 -1.18 1.61 -7.23 -1.26 -4.84 120.40 109.08 2gbs s VAL 31 Ca 0.00 0.39 0.04 0.00 -1.81 0.00 0.00 61.98 60.60 2gbs s VAL 31 Cb 0.00 -4.73 0.18 0.00 0.56 0.00 0.00 36.38 32.39 2gbs s VAL 31 CO 0.00 -1.66 0.90 -2.11 -0.31 0.00 0.00 175.10 171.91 2gbs n ARG 32 N 9.31 1.77 -4.48 4.82 1.85 -1.26 -4.74 116.66 123.93 2gbs n ARG 32 Ca 0.06 -0.72 -0.34 0.00 -1.00 0.00 0.00 57.85 55.86 2gbs n ARG 32 Cb 0.50 -1.52 -0.13 0.00 -1.05 0.00 0.00 32.46 30.25 2gbs n ARG 32 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2gbs s ASN 33 N -0.43 4.36 0.11 2.89 3.84 -1.26 -5.02 114.94 119.43 2gbs s ASN 33 Ca 0.13 -0.26 -0.06 0.00 0.21 0.00 0.00 52.86 52.87 2gbs s ASN 33 Cb 0.09 -1.70 -0.16 0.00 -0.55 0.00 0.00 41.25 38.92 2gbs s ASN 33 CO 0.05 0.13 1.24 0.45 -2.79 0.00 0.00 177.10 176.18 2gbs h HIS 34 N 6.95 0.67 -0.75 0.43 3.86 -2.00 -1.82 115.15 122.49 2gbs h HIS 34 Ca -0.30 -0.39 -0.04 0.00 -1.16 0.00 0.00 60.37 58.47 2gbs h HIS 34 Cb 1.20 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 2gbs h HIS 34 CO 0.53 1.23 0.32 1.03 0.86 0.00 0.00 177.93 181.90 2gbs h SER 35 N 0.22 1.01 -0.27 2.45 0.87 -1.98 -1.70 113.55 114.15 2gbs h SER 35 Ca -0.11 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2gbs h SER 35 Cb 1.71 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 2gbs h SER 35 CO 0.18 0.88 0.15 0.00 -0.53 0.00 0.00 176.83 177.51 2gbs h ALA 36 N 1.27 0.34 -0.33 6.23 0.00 -1.81 -2.47 119.26 122.49 2gbs h ALA 36 Ca 0.26 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2gbs h ALA 36 Cb 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2gbs h ALA 36 CO -0.03 -0.13 -0.20 -0.22 0.00 0.00 0.00 179.25 178.68 2gbs h LYS 37 N 0.32 -0.15 -0.52 0.00 3.64 -0.73 0.40 116.57 119.54 2gbs h LYS 37 Ca 0.09 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2gbs h LYS 37 Cb 0.06 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2gbs h LYS 37 CO -0.02 -0.10 0.22 -0.07 -2.27 0.00 0.00 179.45 177.22 2gbs h LEU 38 N -0.15 0.67 -0.65 5.20 4.07 -1.23 -1.76 115.31 121.46 2gbs h LEU 38 Ca 0.17 -0.07 -0.15 0.00 0.08 0.00 0.00 57.88 57.91 2gbs h LEU 38 Cb 0.41 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2gbs h LEU 38 CO -0.42 0.59 -0.64 0.45 -1.08 0.00 0.00 178.44 177.34 2gbs h HIS 39 N 0.73 0.21 0.00 1.13 3.86 -0.84 -2.86 115.15 117.38 2gbs h HIS 39 Ca 0.18 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2gbs h HIS 39 Cb 0.12 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 2gbs h HIS 39 CO 0.01 0.75 -0.09 0.52 0.86 0.00 0.00 177.93 179.98 2gbs h MET 40 N 0.11 0.00 0.00 2.45 2.86 -0.17 -2.33 114.93 117.85 2gbs h MET 40 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2gbs h MET 40 Cb 1.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 2gbs h MET 40 CO 0.09 0.09 -0.18 0.28 1.06 0.00 0.00 176.91 178.25 2gbs h VAL 41 N 0.00 0.38 0.00 -2.22 2.07 -1.12 -2.99 116.25 112.38 2gbs h VAL 41 Ca -0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2gbs h VAL 41 Cb 0.78 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2gbs h VAL 41 CO 0.01 0.18 -0.56 0.00 0.02 0.00 0.00 177.57 177.22 2gbs n ALA 42 N -2.17 3.31 -2.13 1.67 0.00 -0.89 -4.78 120.51 115.51 2gbs n ALA 42 Ca 0.01 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 2gbs n ALA 42 Cb 0.47 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2gbs n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2gbs s MET 43 N -3.06 4.29 0.43 0.00 -1.94 -1.13 -5.00 119.30 112.89 2gbs s MET 43 Ca 0.09 2.12 0.07 0.00 -1.71 0.00 0.00 55.69 56.26 2gbs s MET 43 Cb 0.16 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 2gbs s MET 43 CO 0.71 -0.49 0.31 1.03 -0.01 0.00 0.00 175.02 176.57 2gbs s ARG 44 N 1.32 2.40 -0.44 2.03 3.00 -1.26 -4.14 118.95 121.86 2gbs s ARG 44 Ca 0.66 -1.68 -0.29 0.00 0.00 0.00 0.00 55.73 54.41 2gbs s ARG 44 Cb -0.37 -2.22 0.02 0.00 0.00 0.00 0.00 34.95 32.38 2gbs s ARG 44 CO 0.30 -0.20 1.16 0.50 0.00 0.00 0.00 175.30 177.06 2gbs s ARG 45 N -4.06 3.78 0.00 3.54 3.52 -1.26 -2.32 118.95 122.15 2gbs s ARG 45 Ca 0.45 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.76 2gbs s ARG 45 Cb -0.01 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2gbs s ARG 45 CO 0.26 -1.30 0.00 0.41 -0.81 0.00 0.00 175.30 173.85 2gbs n GLY 46 N 4.67 1.44 3.81 8.12 0.00 -0.26 -5.01 105.19 117.96 2gbs n GLY 46 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2gbs n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbs s ASP 47 N -1.76 6.07 -0.01 1.61 1.01 -0.98 -4.82 116.67 117.79 2gbs s ASP 47 Ca 0.00 1.78 0.06 0.00 0.71 0.00 0.00 52.55 55.10 2gbs s ASP 47 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2gbs s ASP 47 CO 0.00 -0.97 -0.18 -0.13 0.21 0.00 0.00 175.17 174.10 2gbs s ARG 48 N -3.92 1.45 0.16 8.23 0.52 -1.03 -0.59 118.95 123.76 2gbs s ARG 48 Ca 0.63 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 55.24 2gbs s ARG 48 Cb -0.15 -1.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.86 2gbs s ARG 48 CO 0.33 0.39 -0.18 0.00 0.02 0.00 0.00 175.30 175.85 2gbs s ALA 49 N -0.48 1.92 -0.08 2.13 0.00 0.70 -0.59 121.76 125.37 2gbs s ALA 49 Ca 0.07 -1.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 2gbs s ALA 49 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2gbs s ALA 49 CO -0.00 0.22 0.56 -0.06 0.00 0.00 0.00 175.76 176.47 2gbs s PHE 50 N -2.03 3.57 -0.63 0.00 0.08 0.02 -0.72 117.98 118.26 2gbs s PHE 50 Ca 0.14 1.06 -0.22 0.00 0.12 0.00 0.00 56.93 58.03 2gbs s PHE 50 Cb -0.06 -2.62 0.07 0.00 -0.57 0.00 0.00 43.02 39.85 2gbs s PHE 50 CO 0.06 0.20 0.89 -0.47 -0.10 0.00 0.00 175.22 175.80 2gbs s TYR 51 N 0.44 2.77 -0.19 0.36 6.14 -0.31 -1.74 117.35 124.83 2gbs s TYR 51 Ca 0.30 -0.60 -0.07 0.00 0.64 0.00 0.00 57.07 57.34 2gbs s TYR 51 Cb -0.17 -4.18 -0.04 0.00 0.42 0.00 0.00 41.96 38.00 2gbs s TYR 51 CO 0.14 -1.52 0.06 -0.47 0.64 0.00 0.00 175.55 174.40 2gbs s TYR 52 N 3.68 3.22 -0.27 4.97 5.04 -1.01 -2.22 117.35 130.77 2gbs s TYR 52 Ca 0.20 0.02 -0.29 0.00 -2.44 0.00 0.00 57.07 54.56 2gbs s TYR 52 Cb -0.18 -2.09 0.01 0.00 0.35 0.00 0.00 41.96 40.05 2gbs s TYR 52 CO 0.10 0.10 1.12 -1.01 -1.34 0.00 0.00 175.55 174.53 2gbs s HIS 53 N 0.48 3.09 0.05 4.97 3.76 0.37 -1.05 115.29 126.96 2gbs s HIS 53 Ca 0.03 1.20 -0.16 0.00 -0.15 0.00 0.00 55.06 55.98 2gbs s HIS 53 Cb -0.13 -3.59 -0.06 0.00 1.11 0.00 0.00 32.58 29.91 2gbs s HIS 53 CO 0.01 -0.95 0.48 -1.12 -0.85 0.00 0.00 174.74 172.31 2gbs s SER 54 N 1.74 6.88 0.00 1.40 0.01 0.26 -2.31 113.70 121.68 2gbs s SER 54 Ca 0.48 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.80 2gbs s SER 54 Cb -0.15 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2gbs s SER 54 CO 0.14 0.27 0.00 0.59 0.41 0.00 0.00 173.24 174.64 2gbs n ASN 55 N 1.56 0.00 -4.67 2.44 3.02 -1.26 -4.24 115.26 112.11 2gbs n ASN 55 Ca -0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 2gbs n ASN 55 Cb 0.52 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.65 2gbs n ASN 55 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2gbs s GLU 56 N 0.00 4.32 0.00 3.52 2.02 -1.26 -4.17 118.70 123.13 2gbs s GLU 56 Ca 0.00 1.07 0.00 0.00 0.02 0.00 0.00 54.97 56.06 2gbs s GLU 56 Cb 0.00 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2gbs s GLU 56 CO 0.00 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.37 2gbs n GLY 57 N 3.40 1.91 3.20 -1.39 0.00 -1.26 -4.68 105.19 106.37 2gbs n GLY 57 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2gbs n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 58 N 0.00 -1.49 -3.65 1.61 5.02 -0.98 -4.72 118.16 113.95 2gbs n LYS 58 Ca 0.00 1.27 -0.15 0.00 -2.02 0.00 0.00 58.31 57.40 2gbs n LYS 58 Cb 0.00 -5.35 -0.08 0.00 -0.02 0.00 0.00 35.03 29.58 2gbs n LYS 58 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2gbs s GLU 59 N -3.58 0.81 -0.30 1.97 -1.05 -1.19 0.07 118.70 115.43 2gbs s GLU 59 Ca 0.10 0.20 -0.17 0.00 -0.15 0.00 0.00 54.97 54.95 2gbs s GLU 59 Cb -0.02 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 2gbs s GLU 59 CO 0.77 -0.22 0.48 0.42 0.95 0.00 0.00 175.26 177.66 2gbs s ILE 60 N -0.91 5.08 -0.06 1.83 1.01 0.12 -0.48 121.20 127.79 2gbs s ILE 60 Ca -0.09 0.58 0.09 0.00 0.00 0.00 0.00 60.65 61.22 2gbs s ILE 60 Cb -0.03 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 2gbs s ILE 60 CO 0.06 -0.02 0.10 1.33 0.00 0.00 0.00 174.94 176.41 2gbs n VAL 61 N 5.25 0.37 -3.85 2.92 0.24 -0.94 -0.79 118.33 121.53 2gbs n VAL 61 Ca -0.06 -0.31 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 2gbs n VAL 61 Cb 0.50 -0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 2gbs n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2gbs s GLY 62 N -3.70 -0.06 -0.19 7.63 0.00 -1.26 -0.76 107.32 108.98 2gbs s GLY 62 Ca -0.04 -0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.29 2gbs s GLY 62 CO 0.38 -0.13 0.05 -0.42 0.00 0.00 0.00 173.10 172.98 2gbs s ILE 63 N -3.92 4.56 -0.16 0.90 1.01 0.15 -1.16 121.20 122.58 2gbs s ILE 63 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 2gbs s ILE 63 Cb -0.05 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2gbs s ILE 63 CO 0.06 0.44 -0.09 0.00 0.00 0.00 0.00 174.94 175.35 2gbs s ALA 64 N 0.58 2.73 -0.08 9.38 0.00 0.10 -1.62 121.76 132.85 2gbs s ALA 64 Ca 0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2gbs s ALA 64 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 2gbs s ALA 64 CO 0.01 0.04 0.15 -2.00 0.00 0.00 0.00 175.76 173.97 2gbs s GLU 65 N 0.68 3.42 -0.49 0.00 2.12 -0.92 -0.21 118.70 123.30 2gbs s GLU 65 Ca -0.05 -0.20 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 2gbs s GLU 65 Cb -0.15 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.12 2gbs s GLU 65 CO 0.02 0.74 1.22 0.42 -0.54 0.00 0.00 175.26 177.13 2gbs s ILE 66 N -1.13 4.08 -1.61 -3.70 -1.09 0.24 -2.01 121.20 115.98 2gbs s ILE 66 Ca 0.19 1.06 0.22 0.00 -2.23 0.00 0.00 60.65 59.90 2gbs s ILE 66 Cb -0.12 -4.54 -0.08 0.00 -1.58 0.00 0.00 42.46 36.14 2gbs s ILE 66 CO 0.09 -1.04 1.04 2.30 -1.23 0.00 0.00 174.94 176.11 2gbs n ILE 67 N 6.87 0.00 -3.70 2.92 -5.35 -0.01 -1.10 119.36 119.00 2gbs n ILE 67 Ca 0.12 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 2gbs n ILE 67 Cb 0.49 1.10 -0.13 0.00 -1.74 0.00 0.00 39.64 39.36 2gbs n ILE 67 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2gbs s ARG 68 N -2.69 0.17 0.00 6.28 0.52 -1.20 -4.96 118.95 117.07 2gbs s ARG 68 Ca 0.15 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 2gbs s ARG 68 Cb 0.17 -0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.55 2gbs s ARG 68 CO 0.69 -0.22 0.00 0.39 0.02 0.00 0.00 175.30 176.18 2gbs n GLU 69 N 4.71 -0.22 -1.47 3.54 4.71 -1.26 -2.38 120.64 128.27 2gbs n GLU 69 Ca -0.17 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.53 2gbs n GLU 69 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.86 2gbs n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gbs n ALA 70 N -3.00 0.69 -2.96 0.62 0.00 -1.25 -4.57 120.51 110.03 2gbs n ALA 70 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 2gbs n ALA 70 Cb 0.00 -2.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.76 2gbs n ALA 70 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2gbs s TYR 71 N 8.84 3.10 -0.31 0.00 6.14 0.11 -4.91 117.35 130.32 2gbs s TYR 71 Ca 1.16 -0.25 -0.28 0.00 0.64 0.00 0.00 57.07 58.35 2gbs s TYR 71 Cb -0.89 -2.07 -0.05 0.00 0.42 0.00 0.00 41.96 39.37 2gbs s TYR 71 CO 0.45 -0.09 2.20 -2.14 0.64 0.00 0.00 175.55 176.62 2gbs s PRO 72 N 0.73 2.89 0.14 4.97 0.02 -1.26 0.03 135.00 142.53 2gbs s PRO 72 Ca 0.01 1.76 -0.31 0.00 0.02 0.00 0.00 61.00 62.47 2gbs s PRO 72 Cb -0.14 -4.40 -0.09 0.00 0.02 0.00 0.00 34.50 29.89 2gbs s PRO 72 CO 0.02 -2.38 1.50 0.16 -0.33 0.00 0.00 177.00 175.97 2gbs s ASP 73 N 8.94 6.68 0.00 2.53 -4.77 -1.26 -4.88 116.67 123.91 2gbs s ASP 73 Ca 0.96 2.50 0.22 0.00 -3.30 0.00 0.00 52.55 52.93 2gbs s ASP 73 Cb -0.27 -2.59 1.30 0.00 -1.09 0.00 0.00 42.92 40.27 2gbs s ASP 73 CO 0.32 -0.76 1.74 -0.81 0.70 0.00 0.00 175.17 176.36 2gbs n PRO 74 N 3.97 0.83 0.05 2.11 -0.04 -1.26 -3.19 135.00 137.46 2gbs n PRO 74 Ca 0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2gbs n PRO 74 Cb 0.40 -1.41 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2gbs n PRO 74 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2gbs h THR 75 N 0.00 1.46 -3.19 0.52 1.35 -2.00 -3.43 112.91 107.63 2gbs h THR 75 Ca 0.00 -3.18 -0.60 0.00 -0.55 0.00 0.00 66.41 62.08 2gbs h THR 75 Cb 0.00 2.77 -0.09 0.00 -1.73 0.00 0.00 68.15 69.10 2gbs h THR 75 CO 0.00 0.86 -0.33 -0.62 -0.25 0.00 0.00 175.52 175.18 2gbs s ASP 76 N -6.67 6.48 -0.01 5.36 -1.08 -1.19 -4.98 116.67 114.57 2gbs s ASP 76 Ca -0.02 0.56 0.03 0.00 -0.52 0.00 0.00 52.55 52.60 2gbs s ASP 76 Cb 0.09 -2.18 0.11 0.00 -1.46 0.00 0.00 42.92 39.49 2gbs s ASP 76 CO 0.83 0.16 0.99 0.00 0.52 0.00 0.00 175.17 177.67 2gbs n ALA 77 N 3.17 2.54 -0.69 3.66 0.00 -1.26 -2.81 120.51 125.13 2gbs n ALA 77 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2gbs n ALA 77 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2gbs n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gbs n SER 78 N -0.08 0.33 -2.04 0.00 2.88 -1.26 -5.00 113.62 108.45 2gbs n SER 78 Ca 0.04 -1.02 -0.16 0.00 -1.33 0.00 0.00 58.87 56.40 2gbs n SER 78 Cb 0.18 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.65 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gbs n GLY 79 N -0.01 -0.25 0.26 0.46 0.00 -1.12 -4.91 105.19 99.62 2gbs n GLY 79 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2gbs n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2gbs h LYS 80 N -0.51 0.65 0.00 1.61 3.64 -1.88 -3.46 116.57 116.62 2gbs h LYS 80 Ca -0.38 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.78 2gbs h LYS 80 Cb 1.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2gbs h LYS 80 CO 0.43 0.78 0.00 1.19 -2.27 0.00 0.00 179.45 179.58 2gbs n PHE 81 N -4.16 -0.96 -4.15 1.91 3.72 -1.26 -5.10 117.46 107.47 2gbs n PHE 81 Ca 0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2gbs n PHE 81 Cb 0.37 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.81 2gbs n PHE 81 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2gbs s VAL 82 N 0.74 0.34 0.01 -4.37 -7.23 -1.26 -4.11 120.40 104.52 2gbs s VAL 82 Ca 0.00 -1.89 -0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2gbs s VAL 82 Cb 0.00 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 2gbs s VAL 82 CO 0.00 -0.73 0.03 0.00 -0.31 0.00 0.00 175.10 174.09 2gbs s VAL 84 N -1.29 1.66 -0.28 0.00 -7.23 -1.24 0.04 120.40 112.07 2gbs s VAL 84 Ca -0.14 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 58.87 2gbs s VAL 84 Cb -0.08 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.47 2gbs s VAL 84 CO -0.00 0.46 0.82 -0.62 -0.31 0.00 0.00 175.10 175.44 2gbs s ASP 85 N -0.53 6.75 -0.01 4.85 2.15 -1.00 -0.66 116.67 128.21 2gbs s ASP 85 Ca 0.08 0.85 0.06 0.00 0.43 0.00 0.00 52.55 53.97 2gbs s ASP 85 Cb -0.08 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2gbs s ASP 85 CO -0.01 -0.58 -0.19 0.27 -0.17 0.00 0.00 175.17 174.50 2gbs s ILE 86 N 2.94 2.72 -0.00 4.11 -4.36 -0.33 -0.83 121.20 125.45 2gbs s ILE 86 Ca 0.34 -0.98 0.08 0.00 -0.26 0.00 0.00 60.65 59.83 2gbs s ILE 86 Cb -0.14 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 2gbs s ILE 86 CO 0.10 0.50 -0.25 -1.59 0.24 0.00 0.00 174.94 173.94 2gbs s LYS 87 N -0.95 1.98 -0.50 0.37 -2.85 -0.85 -1.23 119.74 115.71 2gbs s LYS 87 Ca 0.12 -0.94 -0.27 0.00 -1.00 0.00 0.00 55.97 53.88 2gbs s LYS 87 Cb -0.10 -1.96 -0.03 0.00 -2.06 0.00 0.00 37.83 33.68 2gbs s LYS 87 CO 0.02 0.53 1.90 0.00 0.10 0.00 0.00 175.35 177.90 2gbs s ALA 88 N -0.64 2.34 -0.08 0.59 0.00 -1.25 -2.16 121.76 120.56 2gbs s ALA 88 Ca 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2gbs s ALA 88 Cb -0.10 -4.21 -0.01 0.00 0.00 0.00 0.00 23.12 18.80 2gbs s ALA 88 CO -0.00 -3.53 -0.08 0.22 0.00 0.00 0.00 175.76 172.36 2gbs h ASP 89 N 14.78 0.00 -3.37 0.00 3.58 -1.63 -3.45 116.42 126.33 2gbs h ASP 89 Ca -0.28 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.07 2gbs h ASP 89 Cb 1.18 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.97 2gbs h ASP 89 CO 1.15 0.43 -0.23 -0.75 -2.88 0.00 0.00 179.24 176.95 2gbs s LYS 90 N -1.67 0.46 0.87 0.28 2.20 -1.21 -5.02 119.74 115.65 2gbs s LYS 90 Ca -0.07 0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 56.23 2gbs s LYS 90 Cb 0.01 0.07 0.16 0.00 -1.51 0.00 0.00 37.83 36.55 2gbs s LYS 90 CO 0.10 -0.13 1.20 -1.25 -0.36 0.00 0.00 175.35 174.91 2gbs s PRO 91 N 1.13 1.14 0.28 4.03 0.04 -1.26 -0.67 135.00 139.68 2gbs s PRO 91 Ca -0.07 -0.52 0.02 0.00 0.04 0.00 0.00 61.00 60.46 2gbs s PRO 91 Cb -0.07 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2gbs s PRO 91 CO -0.10 -2.01 0.44 -0.51 0.04 0.00 0.00 177.00 174.87 2gbs s LEU 92 N -5.62 4.17 0.22 -3.56 1.43 0.06 -4.84 118.68 110.54 2gbs s LEU 92 Ca 0.70 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 54.08 2gbs s LEU 92 Cb -0.05 -3.12 0.22 0.00 0.03 0.00 0.00 46.19 43.27 2gbs s LEU 92 CO 0.50 -0.16 1.61 0.11 0.23 0.00 0.00 176.35 178.64 2gbs h LYS 93 N 1.18 0.64 -3.35 1.70 1.79 -1.80 -3.41 116.57 113.32 2gbs h LYS 93 Ca -0.50 -0.29 -0.43 0.00 -2.18 0.00 0.00 60.65 57.24 2gbs h LYS 93 Cb 1.22 -0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 31.46 2gbs h LYS 93 CO 0.63 0.88 -0.75 0.99 -1.08 0.00 0.00 179.45 180.12 2gbs s THR 94 N -4.39 0.08 0.04 -0.16 2.01 0.31 -4.99 115.64 108.54 2gbs s THR 94 Ca -0.08 0.06 -0.35 0.00 0.31 0.00 0.00 61.69 61.63 2gbs s THR 94 Cb 0.13 -0.48 -0.14 0.00 0.01 0.00 0.00 72.50 72.02 2gbs s THR 94 CO 0.83 0.01 1.64 -2.65 -0.69 0.00 0.00 174.62 173.75 2gbs n PRO 95 N 5.23 1.90 -2.88 4.92 -0.02 -1.26 -4.55 135.00 138.34 2gbs n PRO 95 Ca -0.06 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 2gbs n PRO 95 Cb 0.49 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 2gbs n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gbs s VAL 96 N 1.95 4.39 0.82 -1.45 1.01 0.03 -4.83 120.40 122.32 2gbs s VAL 96 Ca 0.85 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 2gbs s VAL 96 Cb -0.76 -4.62 0.08 0.00 0.00 0.00 0.00 36.38 31.08 2gbs s VAL 96 CO 0.46 -1.32 1.10 0.42 0.00 0.00 0.00 175.10 175.75 2gbs s THR 97 N 3.91 2.94 0.44 3.92 -4.23 -1.26 0.15 115.64 121.52 2gbs s THR 97 Ca 0.23 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 2gbs s THR 97 Cb -0.16 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 70.98 2gbs s THR 97 CO 0.12 -0.40 2.03 0.25 -0.54 0.00 0.00 174.62 176.08 2gbs h LEU 98 N -1.20 0.34 -0.85 4.79 5.85 -0.65 -0.06 115.31 123.53 2gbs h LEU 98 Ca -0.48 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 2gbs h LEU 98 Cb 1.27 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2gbs h LEU 98 CO 0.58 0.22 -0.05 0.00 -0.34 0.00 0.00 178.44 178.86 2gbs h ALA 99 N 1.75 1.03 -0.12 1.25 0.00 -1.92 -1.04 119.26 120.22 2gbs h ALA 99 Ca 0.20 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2gbs h ALA 99 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2gbs h ALA 99 CO -0.05 0.59 -0.65 0.00 0.00 0.00 0.00 179.25 179.15 2gbs h ALA 100 N 1.20 0.65 -0.64 0.00 0.00 -1.51 -2.98 119.26 115.98 2gbs h ALA 100 Ca 0.14 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2gbs h ALA 100 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2gbs h ALA 100 CO 0.03 0.72 0.32 0.28 0.00 0.00 0.00 179.25 180.60 2gbs h VAL 101 N 0.34 1.21 0.00 0.00 2.07 -0.71 -2.16 116.25 117.01 2gbs h VAL 101 Ca -0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2gbs h VAL 101 Cb 1.20 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2gbs h VAL 101 CO 0.12 0.24 0.00 0.29 0.02 0.00 0.00 177.57 178.24 2gbs n LYS 102 N -4.51 0.64 0.11 1.57 5.02 -0.42 -2.39 118.16 118.18 2gbs n LYS 102 Ca 0.05 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 2gbs n LYS 102 Cb 0.11 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.73 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs h ALA 103 N 3.39 0.63 -3.02 7.82 0.00 -1.23 -3.45 119.26 123.41 2gbs h ALA 103 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2gbs h ALA 103 Cb 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.59 2gbs h ALA 103 CO 0.00 0.00 -0.65 -2.00 0.00 0.00 0.00 179.25 176.60 2gbs s GLU 104 N -3.26 3.25 0.31 0.00 2.56 -1.00 -4.99 118.70 115.56 2gbs s GLU 104 Ca 0.03 -0.73 0.07 0.00 0.00 0.00 0.00 54.97 54.34 2gbs s GLU 104 Cb 0.10 -3.26 0.79 0.00 2.00 0.00 0.00 34.13 33.76 2gbs s GLU 104 CO 0.74 -0.34 1.75 -1.35 -0.56 0.00 0.00 175.26 175.50 2gbs h PRO 105 N 8.20 0.63 -0.90 4.30 0.11 -1.86 0.57 132.00 143.05 2gbs h PRO 105 Ca -0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2gbs h PRO 105 Cb 1.14 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 2gbs h PRO 105 CO 0.60 0.42 0.51 0.00 -0.21 0.00 0.00 178.00 179.31 2gbs h ARG 106 N 0.65 1.25 0.00 1.05 3.08 -1.94 -2.44 114.38 116.03 2gbs h ARG 106 Ca 0.60 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2gbs h ARG 106 Cb 1.03 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2gbs h ARG 106 CO -0.43 0.90 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.10 2gbs h LEU 107 N 1.25 0.00 -0.92 3.04 3.38 -1.22 -3.02 115.31 117.82 2gbs h LEU 107 Ca 0.32 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 2gbs h LEU 107 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2gbs h LEU 107 CO -0.05 0.01 -0.48 0.00 0.09 0.00 0.00 178.44 178.01 2gbs h ALA 108 N 2.22 1.04 -0.67 1.53 0.00 -0.52 -2.42 119.26 120.44 2gbs h ALA 108 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2gbs h ALA 108 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2gbs h ALA 108 CO 0.00 0.59 0.00 -3.47 0.00 0.00 0.00 179.25 176.37 2gbs n ASP 109 N -3.72 4.01 -4.84 0.00 2.03 -1.08 -4.55 116.55 108.40 2gbs n ASP 109 Ca -0.01 -2.15 -0.32 0.00 0.52 0.00 0.00 54.79 52.83 2gbs n ASP 109 Cb 0.54 -0.50 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2gbs s MET 110 N -1.34 4.01 0.59 -0.67 1.75 -0.91 -4.92 119.30 117.81 2gbs s MET 110 Ca 0.47 0.84 0.29 0.00 -1.25 0.00 0.00 55.69 56.04 2gbs s MET 110 Cb 0.27 -2.27 1.70 0.00 2.84 0.00 0.00 34.83 37.36 2gbs s MET 110 CO 0.29 -0.04 2.14 0.00 -0.65 0.00 0.00 175.02 176.75 2gbs h ALA 111 N 1.62 1.73 -0.64 4.11 0.00 -1.86 -0.71 119.26 123.51 2gbs h ALA 111 Ca -0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 111 Cb 1.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2gbs h ALA 111 CO 0.63 -0.22 0.33 1.25 0.00 0.00 0.00 179.25 181.24 2gbs h LEU 112 N 0.00 0.80 0.03 0.00 5.85 -1.87 0.24 115.31 120.37 2gbs h LEU 112 Ca 0.06 -0.07 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 2gbs h LEU 112 Cb 0.36 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2gbs h LEU 112 CO -0.00 0.67 -1.47 -0.03 -0.34 0.00 0.00 178.44 177.27 2gbs h MET 113 N 0.90 0.07 0.17 1.25 4.05 -1.35 -3.39 114.93 116.63 2gbs h MET 113 Ca 0.23 -0.12 -0.24 0.00 -0.28 0.00 0.00 59.70 59.29 2gbs h MET 113 Cb 0.06 0.04 0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2gbs h MET 113 CO -0.03 0.82 -1.11 0.87 0.23 0.00 0.00 176.91 177.68 2gbs h LYS 114 N 0.02 0.36 -4.04 0.39 1.79 -1.11 -3.43 116.57 110.54 2gbs h LYS 114 Ca -0.20 -0.61 -0.62 0.00 -2.18 0.00 0.00 60.65 57.04 2gbs h LYS 114 Cb 1.94 0.23 -0.40 0.00 -1.58 0.00 0.00 32.23 32.42 2gbs h LYS 114 CO 0.11 1.29 -0.73 0.71 -1.08 0.00 0.00 179.45 179.75 2gbs s TYR 115 N -2.48 2.72 0.18 -1.35 2.02 0.83 -4.94 117.35 114.33 2gbs s TYR 115 Ca -0.13 -2.41 -0.01 0.00 -0.37 0.00 0.00 57.07 54.14 2gbs s TYR 115 Cb 0.02 -2.32 0.08 0.00 -0.40 0.00 0.00 41.96 39.34 2gbs s TYR 115 CO 0.85 -0.90 1.45 0.77 -1.57 0.00 0.00 175.55 176.15 2gbs h SER 116 N 7.75 0.49 0.77 2.29 0.02 -1.79 -3.13 113.55 119.94 2gbs h SER 116 Ca -0.08 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2gbs h SER 116 Cb 1.01 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2gbs h SER 116 CO 0.50 1.04 0.00 0.03 -1.14 0.00 0.00 176.83 177.26 2gbs h ARG 117 N 0.29 0.00 -6.42 3.45 2.47 -1.95 -3.41 114.38 108.81 2gbs h ARG 117 Ca -0.02 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.15 2gbs h ARG 117 Cb 1.26 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.52 2gbs h ARG 117 CO 0.12 0.00 1.07 -1.17 0.56 0.00 0.00 179.97 180.55 2gbs s LEU 118 N -5.68 3.34 0.02 3.04 2.96 -1.18 -4.88 118.68 116.29 2gbs s LEU 118 Ca 0.01 0.03 -0.25 0.00 -0.22 0.00 0.00 54.13 53.70 2gbs s LEU 118 Cb 0.09 -2.92 -0.18 0.00 0.50 0.00 0.00 46.19 43.69 2gbs s LEU 118 CO 0.47 -1.72 1.42 -1.28 -1.32 0.00 0.00 176.35 173.92 2gbs h SER 119 N 10.54 -0.07 -3.51 3.68 0.87 -1.89 -3.39 113.55 119.78 2gbs h SER 119 Ca -0.27 -0.27 -0.71 0.00 -1.23 0.00 0.00 61.79 59.31 2gbs h SER 119 Cb 1.07 0.02 -0.27 0.00 -0.44 0.00 0.00 62.40 62.79 2gbs h SER 119 CO 1.21 0.23 -0.49 -0.69 -0.53 0.00 0.00 176.83 176.57 2gbs s VAL 120 N -4.97 4.34 -0.04 2.23 1.01 -1.26 -1.63 120.40 120.09 2gbs s VAL 120 Ca -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 2gbs s VAL 120 Cb 0.03 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2gbs s VAL 120 CO 0.65 -0.39 0.17 -1.10 0.00 0.00 0.00 175.10 174.42 2gbs s GLN 121 N 1.47 3.43 -0.13 2.72 -0.21 0.55 -4.68 119.66 122.81 2gbs s GLN 121 Ca 0.02 -0.27 -0.23 0.00 0.02 0.00 0.00 55.36 54.91 2gbs s GLN 121 Cb -0.22 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 2gbs s GLN 121 CO 0.04 0.71 0.70 -1.25 -2.12 0.00 0.00 175.29 173.37 2gbs s PRO 122 N -1.65 4.33 -0.05 2.91 0.04 -1.26 -0.82 135.00 138.50 2gbs s PRO 122 Ca 0.23 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.16 2gbs s PRO 122 Cb -0.12 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 2gbs s PRO 122 CO 0.14 -0.12 -0.24 0.08 0.04 0.00 0.00 177.00 176.90 2gbs s VAL 123 N 1.45 2.15 0.69 -0.36 1.01 0.46 -4.79 120.40 121.01 2gbs s VAL 123 Ca 0.35 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2gbs s VAL 123 Cb -0.17 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.51 2gbs s VAL 123 CO 0.14 0.57 0.99 0.42 0.00 0.00 0.00 175.10 177.22 2gbs s THR 124 N -0.28 2.31 0.17 3.92 -4.23 -1.26 -3.49 115.64 112.78 2gbs s THR 124 Ca 0.00 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 2gbs s THR 124 Cb -0.13 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.82 2gbs s THR 124 CO 0.03 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.93 2gbs h ALA 125 N -0.53 0.69 -0.29 3.99 0.00 -1.97 0.09 119.26 121.23 2gbs h ALA 125 Ca -0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2gbs h ALA 125 Cb 1.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2gbs h ALA 125 CO 0.56 0.15 0.15 0.93 0.00 0.00 0.00 179.25 181.04 2gbs h GLU 126 N 0.73 0.41 -0.01 0.00 5.08 -1.98 0.27 114.58 119.08 2gbs h GLU 126 Ca 0.20 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2gbs h GLU 126 Cb -0.05 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2gbs h GLU 126 CO -0.04 0.36 0.00 0.93 -1.00 0.00 0.00 179.01 179.27 2gbs h GLU 127 N 0.35 0.01 0.68 2.33 5.08 -1.89 -1.24 114.58 119.90 2gbs h GLU 127 Ca 0.10 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2gbs h GLU 127 Cb 0.08 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2gbs h GLU 127 CO -0.02 0.06 -0.46 2.35 -1.00 0.00 0.00 179.01 179.95 2gbs h TRP 128 N -0.05 -1.22 0.00 4.33 2.91 -0.84 -1.89 115.95 119.20 2gbs h TRP 128 Ca 0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2gbs h TRP 128 Cb 0.06 0.44 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 2gbs h TRP 128 CO -0.06 -0.67 0.00 0.87 -1.03 0.00 0.00 178.44 177.55 2gbs h LYS 129 N -1.08 0.00 0.12 2.65 1.57 -0.95 -1.62 116.57 117.26 2gbs h LYS 129 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2gbs h LYS 129 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2gbs h LYS 129 CO 0.06 0.00 -0.06 1.25 -0.57 0.00 0.00 179.45 180.13 2gbs h LEU 130 N 0.00 -0.14 -1.28 2.94 5.85 -0.92 -2.77 115.31 118.99 2gbs h LEU 130 Ca 0.00 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.35 2gbs h LEU 130 Cb 0.31 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2gbs h LEU 130 CO 0.00 0.44 0.51 0.58 -0.34 0.00 0.00 178.44 179.63 2gbs h VAL 131 N -0.83 1.09 0.69 1.05 2.07 -0.78 0.41 116.25 119.95 2gbs h VAL 131 Ca -0.02 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 2gbs h VAL 131 Cb 0.55 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2gbs h VAL 131 CO 0.03 0.17 -0.45 0.00 0.02 0.00 0.00 177.57 177.34 2gbs h LYS 133 N -1.08 0.00 -0.17 0.00 2.10 -1.14 -1.98 116.57 114.31 2gbs h LYS 133 Ca -0.09 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.48 2gbs h LYS 133 Cb 0.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2gbs h LYS 133 CO 0.08 0.37 -0.25 1.98 -2.00 0.00 0.00 179.45 179.63 2gbs h MET 134 N 0.00 0.30 -0.68 0.07 4.05 0.00 -2.05 114.93 116.63 2gbs h MET 134 Ca -0.00 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2gbs h MET 134 Cb 0.70 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2gbs h MET 134 CO 0.05 0.54 0.00 0.41 0.23 0.00 0.00 176.91 178.14 2gbs n GLY 135 N -0.53 1.36 1.12 1.39 0.00 -0.03 -4.84 105.19 103.66 2gbs n GLY 135 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2gbs n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbs n GLY 136 N 0.39 0.74 0.00 -0.02 0.00 -0.77 -0.53 105.19 105.00 2gbs n GLY 136 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2gbs n GLY 136 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gbs n LEU 137 N 0.00 0.00 0.25 0.99 7.94 -0.81 -2.30 117.00 123.07 2gbs n LEU 137 Ca 0.00 0.45 0.15 0.00 -1.11 0.00 0.00 56.01 55.50 2gbs n LEU 137 Cb 0.00 -0.45 0.49 0.00 0.53 0.00 0.00 43.42 43.99 2gbs n LEU 137 CO 0.00 -0.08 0.91 0.25 -1.11 0.00 0.00 177.39 177.36 2gbs h LEU 138 N 0.00 0.00 -0.25 -1.96 5.85 -1.74 -3.10 115.31 114.11 2gbs h LEU 138 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2gbs h LEU 138 Cb 0.36 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2gbs h LEU 138 CO 0.00 0.02 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.81 2gbs h GLU 139 N 0.00 -0.10 0.00 1.25 4.81 -1.77 -3.38 114.58 115.39 2gbs h GLU 139 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2gbs h GLU 139 Cb 0.70 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2gbs h GLU 139 CO 0.00 -0.07 -0.06 -2.39 -0.73 0.00 0.00 179.01 175.77 2gbs n HIS 140 N -3.84 0.00 0.00 0.92 1.44 -1.26 -5.08 115.22 107.40 2gbs n HIS 140 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2gbs n HIS 140 Cb 0.13 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.24 2gbs n HIS 140 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2gbs n HIS 141 N -0.24 0.00 -1.29 -1.40 8.25 -1.17 -3.26 115.22 116.11 2gbs n HIS 141 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2gbs n HIS 141 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2gbs n HIS 141 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2gbs n HIS 142 N 0.00 0.00 -4.26 4.41 1.44 -1.26 -5.10 115.22 110.45 2gbs n HIS 142 Ca 0.00 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.48 2gbs n HIS 142 Cb 0.00 0.17 -0.17 0.00 0.12 0.00 0.00 29.99 30.12 2gbs n HIS 142 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2gbs s HIS 143 N 0.00 1.11 0.32 -1.40 5.65 -1.20 -5.14 115.29 114.62 2gbs s HIS 143 Ca 0.00 -0.40 0.10 0.00 0.25 0.00 0.00 55.06 55.01 2gbs s HIS 143 Cb 0.00 -0.90 -0.05 0.00 -1.18 0.00 0.00 32.58 30.44 2gbs s HIS 143 CO 0.00 -0.28 -0.07 -1.01 -0.65 0.00 0.00 174.74 172.74 2gbs s HIS 144 N 1.00 2.47 0.00 3.88 0.09 -1.26 -5.04 115.29 116.43 2gbs s HIS 144 Ca -0.09 -0.40 0.00 0.00 -0.00 0.00 0.00 55.06 54.57 2gbs s HIS 144 Cb -0.14 -1.31 0.00 0.00 -0.00 0.00 0.00 32.58 31.13 2gbs s HIS 144 CO -0.00 0.58 0.00 -2.39 -0.00 0.00 0.00 174.74 172.93