#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 3.11 -0.02 2.33 0.00 -1.26 -4.87 121.76 121.04 2gbs s ALA 2 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.00 2gbs s ALA 2 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 2gbs s ALA 2 CO 0.00 -0.53 -0.21 0.71 0.00 0.00 0.00 175.76 175.73 2gbs s TYR 3 N -2.98 1.92 0.27 0.00 2.02 -1.25 -1.46 117.35 115.87 2gbs s TYR 3 Ca 0.56 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.91 2gbs s TYR 3 Cb -0.11 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2gbs s TYR 3 CO 0.46 -0.06 0.16 0.91 -1.57 0.00 0.00 175.55 175.46 2gbs n TRP 4 N 2.63 -0.25 -3.74 2.71 7.02 0.15 -0.30 117.44 125.66 2gbs n TRP 4 Ca -0.16 -2.00 -0.13 0.00 -1.02 0.00 0.00 57.50 54.20 2gbs n TRP 4 Cb 0.53 0.11 -0.13 0.00 -2.42 0.00 0.00 31.31 29.39 2gbs n TRP 4 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2gbs s LEU 5 N 0.00 0.55 -0.03 -0.99 0.20 0.77 -0.60 118.68 118.58 2gbs s LEU 5 Ca 0.22 0.45 0.07 0.00 0.69 0.00 0.00 54.13 55.56 2gbs s LEU 5 Cb 0.01 0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 46.37 2gbs s LEU 5 CO 0.16 -0.16 -0.25 0.68 -0.29 0.00 0.00 176.35 176.49 2gbs s VAL 6 N 1.17 1.99 -0.10 1.68 -7.23 0.20 -1.86 120.40 116.24 2gbs s VAL 6 Ca -0.09 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.91 2gbs s VAL 6 Cb -0.10 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2gbs s VAL 6 CO -0.07 0.56 0.26 -0.54 -0.31 0.00 0.00 175.10 175.00 2gbs s LYS 7 N -0.43 3.85 -0.13 4.82 1.02 -0.66 -1.17 119.74 127.04 2gbs s LYS 7 Ca 0.05 0.10 -0.08 0.00 0.02 0.00 0.00 55.97 56.05 2gbs s LYS 7 Cb -0.11 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2gbs s LYS 7 CO 0.01 0.58 0.31 0.45 -0.92 0.00 0.00 175.35 175.78 2gbs s SER 8 N -0.58 -0.35 -0.21 2.83 0.15 0.65 -4.95 113.70 111.25 2gbs s SER 8 Ca 0.18 0.65 -0.21 0.00 0.70 0.00 0.00 55.95 57.27 2gbs s SER 8 Cb -0.14 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 2gbs s SER 8 CO 0.07 -0.15 0.63 -1.61 1.20 0.00 0.00 173.24 173.38 2gbs s GLU 9 N 0.91 4.20 0.48 5.44 2.02 -1.26 -0.64 118.70 129.84 2gbs s GLU 9 Ca -0.06 0.61 0.33 0.00 0.02 0.00 0.00 54.97 55.87 2gbs s GLU 9 Cb -0.07 -3.59 1.56 0.00 0.10 0.00 0.00 34.13 32.13 2gbs s GLU 9 CO -0.06 -0.27 1.98 -1.00 0.02 0.00 0.00 175.26 175.93 2gbs h PRO 10 N 7.55 0.00 0.00 0.39 0.13 -1.75 -0.76 132.00 137.56 2gbs h PRO 10 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2gbs h PRO 10 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2gbs h PRO 10 CO 0.78 0.00 -0.29 0.77 -0.23 0.00 0.00 178.00 179.02 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.02 -1.92 -3.33 113.55 109.76 2gbs h SER 11 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2gbs h SER 11 Cb 0.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2gbs h SER 11 CO 0.00 0.29 -1.69 0.52 -1.14 0.00 0.00 176.83 174.81 2gbs n VAL 12 N -3.59 1.51 -4.19 2.27 0.31 -0.38 -4.99 118.33 109.27 2gbs n VAL 12 Ca -0.01 -0.12 -0.17 0.00 -0.01 0.00 0.00 64.34 64.03 2gbs n VAL 12 Cb 0.43 -2.08 -0.15 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.54 0.58 0.16 3.52 -0.11 -0.66 -5.10 118.94 114.78 2gbs s TRP 13 Ca -0.32 -0.12 0.06 0.00 1.22 0.00 0.00 56.10 56.94 2gbs s TRP 13 Cb 0.09 -0.42 -0.04 0.00 -1.50 0.00 0.00 33.47 31.60 2gbs s TRP 13 CO 0.47 -0.05 0.09 -1.54 -4.62 0.00 0.00 176.95 171.29 2gbs s SER 14 N 0.15 5.28 0.19 5.86 1.04 -1.26 -3.60 113.70 121.36 2gbs s SER 14 Ca -0.01 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 2gbs s SER 14 Cb -0.06 -1.31 0.10 0.00 0.10 0.00 0.00 66.02 64.86 2gbs s SER 14 CO -0.00 0.08 1.64 -0.25 0.98 0.00 0.00 173.24 175.69 2gbs h TRP 15 N 2.55 1.11 -0.80 5.02 2.91 -1.98 -2.86 115.95 121.91 2gbs h TRP 15 Ca -0.47 -0.20 0.06 0.00 1.13 0.00 0.00 58.89 59.40 2gbs h TRP 15 Cb 1.20 -0.29 -0.06 0.00 -0.51 0.00 0.00 29.16 29.50 2gbs h TRP 15 CO 0.60 1.01 0.48 -0.44 -1.03 0.00 0.00 178.44 179.05 2gbs h ASP 16 N 0.92 0.74 0.53 2.65 5.19 -1.99 0.46 116.42 124.92 2gbs h ASP 16 Ca 0.16 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 2gbs h ASP 16 Cb 0.60 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 2gbs h ASP 16 CO 0.04 0.47 -0.27 -0.61 -3.12 0.00 0.00 179.24 175.75 2gbs h GLN 17 N 0.87 0.00 0.09 3.56 4.15 -1.92 -2.14 115.11 119.72 2gbs h GLN 17 Ca 0.35 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.49 2gbs h GLN 17 Cb 0.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2gbs h GLN 17 CO -0.18 0.27 -1.38 0.37 -1.93 0.00 0.00 178.83 175.99 2gbs h GLN 18 N 0.00 0.19 -0.85 1.69 -0.00 -1.08 -3.28 115.11 111.78 2gbs h GLN 18 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2gbs h GLN 18 Cb 0.61 0.12 -0.04 0.00 0.00 0.00 0.00 27.48 28.17 2gbs h GLN 18 CO 0.04 1.07 0.54 0.28 0.00 0.00 0.00 178.83 180.76 2gbs h VAL 19 N 0.05 1.23 0.00 2.39 2.07 -0.47 0.63 116.25 122.15 2gbs h VAL 19 Ca -0.18 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2gbs h VAL 19 Cb 1.96 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2gbs h VAL 19 CO 0.16 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.95 2gbs h ALA 20 N 1.44 1.36 -0.29 1.67 0.00 -1.46 -1.34 119.26 120.63 2gbs h ALA 20 Ca 0.31 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 2gbs h ALA 20 Cb -0.10 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.60 2gbs h ALA 20 CO -0.06 0.03 -0.14 1.63 0.00 0.00 0.00 179.25 180.71 2gbs n LYS 21 N -3.63 1.83 0.26 0.00 5.02 0.09 -4.72 118.16 117.01 2gbs n LYS 21 Ca -0.03 -3.18 0.11 0.00 -2.02 0.00 0.00 58.31 53.19 2gbs n LYS 21 Cb 0.12 -1.78 0.73 0.00 -0.02 0.00 0.00 35.03 34.08 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbs h GLY 22 N 1.02 0.00 0.46 0.72 0.00 -0.02 0.45 103.07 105.70 2gbs h GLY 22 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2gbs h GLY 22 CO 0.31 0.00 -0.89 0.00 0.00 0.00 0.00 176.54 175.96 2gbs n ALA 23 N -2.37 3.96 -0.12 3.60 0.00 -1.26 -4.38 120.51 119.94 2gbs n ALA 23 Ca -0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 2gbs n ALA 23 Cb 0.17 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs n ALA 24 N -1.62 1.29 0.00 0.00 0.00 -0.48 -5.12 120.51 114.59 2gbs n ALA 24 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2gbs n ALA 24 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2gbs n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbs n GLY 25 N 1.93 -3.67 3.28 0.00 0.00 0.15 -5.05 105.19 101.83 2gbs n GLY 25 Ca -0.46 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.75 0.62 -0.71 1.61 2.56 0.51 -4.90 118.70 117.64 2gbs s GLU 26 Ca 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 54.97 54.87 2gbs s GLU 26 Cb 0.00 0.28 0.08 0.00 2.00 0.00 0.00 34.13 36.50 2gbs s GLU 26 CO 0.00 -0.15 0.98 0.00 -0.56 0.00 0.00 175.26 175.53 2gbs s ALA 27 N -0.74 3.18 -0.97 6.30 0.00 -1.26 -1.40 121.76 126.87 2gbs s ALA 27 Ca -0.08 -2.05 -0.20 0.00 0.00 0.00 0.00 51.96 49.63 2gbs s ALA 27 Cb -0.04 -3.87 0.10 0.00 0.00 0.00 0.00 23.12 19.31 2gbs s ALA 27 CO 0.03 -2.79 1.25 -0.46 0.00 0.00 0.00 175.76 173.80 2gbs s TRP 28 N 3.72 2.92 0.35 0.00 -0.11 0.18 -4.90 118.94 121.09 2gbs s TRP 28 Ca 0.23 -1.21 0.04 0.00 1.22 0.00 0.00 56.10 56.38 2gbs s TRP 28 Cb -0.15 -4.43 -0.03 0.00 -1.50 0.00 0.00 33.47 27.35 2gbs s TRP 28 CO 0.06 -1.65 0.17 -0.08 -4.62 0.00 0.00 176.95 170.83 2gbs s THR 29 N 3.49 0.40 0.00 5.86 -1.32 -1.26 -1.39 115.64 121.42 2gbs s THR 29 Ca 0.38 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.86 2gbs s THR 29 Cb -0.03 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 2gbs s THR 29 CO -0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 2gbs n GLY 30 N -0.72 0.72 3.62 6.08 0.00 -1.26 -4.99 105.19 108.64 2gbs n GLY 30 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2gbs n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gbs n VAL 31 N -2.46 0.51 0.42 1.61 0.24 -1.26 -4.84 118.33 112.56 2gbs n VAL 31 Ca 0.00 -0.31 0.12 0.00 -2.04 0.00 0.00 64.34 62.11 2gbs n VAL 31 Cb 0.00 -2.39 0.18 0.00 -1.47 0.00 0.00 33.84 30.16 2gbs n VAL 31 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2gbs h ARG 32 N 12.93 0.00 -6.38 7.34 0.11 -2.01 -3.44 114.38 122.92 2gbs h ARG 32 Ca -0.44 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.07 2gbs h ARG 32 Cb 1.25 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.28 2gbs h ARG 32 CO 0.95 0.00 1.02 -0.80 0.10 0.00 0.00 179.97 181.25 2gbs s ASN 33 N -4.88 6.53 0.18 0.08 -0.87 -1.26 -4.90 114.94 109.83 2gbs s ASN 33 Ca 0.06 1.18 -0.11 0.00 -1.57 0.00 0.00 52.86 52.42 2gbs s ASN 33 Cb 0.11 -2.54 0.09 0.00 -0.02 0.00 0.00 41.25 38.89 2gbs s ASN 33 CO 0.70 -1.20 1.72 -0.74 -2.57 0.00 0.00 177.10 175.00 2gbs h HIS 34 N 9.90 1.03 -0.49 2.20 2.76 -1.99 0.40 115.15 128.96 2gbs h HIS 34 Ca -0.28 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 2gbs h HIS 34 Cb 1.11 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 2gbs h HIS 34 CO 0.91 0.83 0.25 0.77 -1.30 0.00 0.00 177.93 179.39 2gbs h SER 35 N 0.92 0.63 -0.55 3.26 0.02 -1.99 -1.98 113.55 113.86 2gbs h SER 35 Ca 0.21 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2gbs h SER 35 Cb 0.29 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2gbs h SER 35 CO -0.01 0.56 0.10 0.00 -1.14 0.00 0.00 176.83 176.34 2gbs h ALA 36 N 1.09 1.05 -0.43 3.77 0.00 -1.73 -2.17 119.26 120.84 2gbs h ALA 36 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2gbs h ALA 36 Cb 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2gbs h ALA 36 CO -0.02 0.61 0.20 -0.22 0.00 0.00 0.00 179.25 179.82 2gbs h LYS 37 N 0.90 0.40 -0.15 0.00 3.64 -0.64 -1.67 116.57 119.05 2gbs h LYS 37 Ca 0.18 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2gbs h LYS 37 Cb 0.39 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2gbs h LYS 37 CO 0.01 0.26 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.30 2gbs h LEU 38 N 0.41 0.21 -0.61 5.20 3.38 -0.95 -2.25 115.31 120.70 2gbs h LEU 38 Ca 0.19 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2gbs h LEU 38 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2gbs h LEU 38 CO -0.14 0.32 -0.61 0.45 0.09 0.00 0.00 178.44 178.55 2gbs h HIS 39 N 0.22 0.39 0.00 1.13 3.86 -0.72 -3.03 115.15 116.99 2gbs h HIS 39 Ca 0.05 -0.15 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 2gbs h HIS 39 Cb 0.29 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 2gbs h HIS 39 CO 0.00 0.83 -0.59 0.52 0.86 0.00 0.00 177.93 179.55 2gbs h MET 40 N 0.22 0.00 0.00 2.45 2.86 -0.76 -2.33 114.93 117.37 2gbs h MET 40 Ca -0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2gbs h MET 40 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.78 2gbs h MET 40 CO 0.10 0.59 -0.24 0.28 1.06 0.00 0.00 176.91 178.71 2gbs h VAL 41 N 0.00 1.16 -0.00 -2.22 2.07 -1.35 -2.14 116.25 113.76 2gbs h VAL 41 Ca -0.01 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gbs h VAL 41 Cb 1.19 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2gbs h VAL 41 CO 0.08 0.23 -0.12 0.00 0.02 0.00 0.00 177.57 177.78 2gbs n ALA 42 N -2.49 2.65 -2.44 1.67 0.00 -0.90 -4.79 120.51 114.22 2gbs n ALA 42 Ca -0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2gbs n ALA 42 Cb 0.29 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.89 4.60 0.23 0.00 -1.94 -0.81 -5.05 119.30 113.44 2gbs s MET 43 Ca 0.17 1.51 0.10 0.00 -1.71 0.00 0.00 55.69 55.76 2gbs s MET 43 Cb 0.19 -3.40 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2gbs s MET 43 CO 0.55 0.03 -0.18 -0.98 -0.01 0.00 0.00 175.02 174.43 2gbs s ARG 44 N 0.50 1.48 -0.12 2.03 1.70 -1.26 -4.41 118.95 118.87 2gbs s ARG 44 Ca 0.51 -1.63 -0.31 0.00 -0.47 0.00 0.00 55.73 53.83 2gbs s ARG 44 Cb -0.24 -1.49 -0.08 0.00 -0.57 0.00 0.00 34.95 32.57 2gbs s ARG 44 CO 0.30 0.28 2.07 -2.13 -1.08 0.00 0.00 175.30 174.73 2gbs n ARG 45 N -0.32 2.24 0.00 3.89 0.63 -1.26 -0.60 116.66 121.24 2gbs n ARG 45 Ca -0.08 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2gbs n ARG 45 Cb 0.59 -2.96 0.00 0.00 0.45 0.00 0.00 32.46 30.54 2gbs n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2gbs n GLY 46 N 5.15 1.85 3.85 5.14 0.00 -0.48 -4.89 105.19 115.79 2gbs n GLY 46 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.69 6.25 0.02 1.61 1.01 0.23 -4.10 116.67 120.00 2gbs s ASP 47 Ca 0.00 1.55 0.01 0.00 0.71 0.00 0.00 52.55 54.81 2gbs s ASP 47 Cb 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 2gbs s ASP 47 CO 0.00 -0.85 -0.04 -0.13 0.21 0.00 0.00 175.17 174.36 2gbs s ARG 48 N -4.59 0.35 0.18 8.23 0.52 -0.53 -0.75 118.95 122.36 2gbs s ARG 48 Ca 0.58 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.25 2gbs s ARG 48 Cb -0.11 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.29 2gbs s ARG 48 CO 0.43 -0.02 -0.11 0.00 0.02 0.00 0.00 175.30 175.62 2gbs s ALA 49 N -1.30 1.71 -0.07 2.13 0.00 0.85 -0.68 121.76 124.41 2gbs s ALA 49 Ca -0.13 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.05 2gbs s ALA 49 Cb -0.09 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2gbs s ALA 49 CO -0.01 -0.04 0.57 -0.06 0.00 0.00 0.00 175.76 176.22 2gbs s PHE 50 N -3.19 3.59 -0.62 0.00 0.08 0.23 -0.68 117.98 117.39 2gbs s PHE 50 Ca 0.20 1.08 -0.21 0.00 0.12 0.00 0.00 56.93 58.12 2gbs s PHE 50 Cb 0.01 -2.63 0.08 0.00 -0.57 0.00 0.00 43.02 39.92 2gbs s PHE 50 CO 0.04 0.22 0.84 -0.47 -0.10 0.00 0.00 175.22 175.74 2gbs s TYR 51 N 0.37 2.83 -0.21 0.36 6.14 -0.21 -0.63 117.35 126.00 2gbs s TYR 51 Ca 0.30 -0.73 -0.08 0.00 0.64 0.00 0.00 57.07 57.21 2gbs s TYR 51 Cb -0.17 -4.15 -0.04 0.00 0.42 0.00 0.00 41.96 38.03 2gbs s TYR 51 CO 0.15 -1.47 0.07 -0.47 0.64 0.00 0.00 175.55 174.47 2gbs s TYR 52 N 3.41 3.20 -0.14 4.97 5.04 -0.31 -1.50 117.35 132.02 2gbs s TYR 52 Ca 0.17 -0.06 -0.28 0.00 -2.44 0.00 0.00 57.07 54.46 2gbs s TYR 52 Cb -0.20 -2.15 -0.01 0.00 0.35 0.00 0.00 41.96 39.95 2gbs s TYR 52 CO 0.09 -0.02 0.93 -1.01 -1.34 0.00 0.00 175.55 174.20 2gbs s HIS 53 N 0.84 3.47 0.20 4.97 3.76 0.99 -0.25 115.29 129.27 2gbs s HIS 53 Ca 0.04 1.45 0.04 0.00 -0.15 0.00 0.00 55.06 56.44 2gbs s HIS 53 Cb -0.14 -3.11 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 2gbs s HIS 53 CO 0.02 -0.23 0.28 -1.12 -0.85 0.00 0.00 174.74 172.84 2gbs s SER 54 N 1.11 6.11 0.00 1.40 0.01 0.18 -2.18 113.70 120.33 2gbs s SER 54 Ca 0.44 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2gbs s SER 54 Cb -0.17 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2gbs s SER 54 CO 0.15 -0.01 0.00 -3.20 0.41 0.00 0.00 173.24 170.59 2gbs n ASN 55 N -0.96 0.00 -4.70 2.44 5.15 -1.26 -4.31 115.26 111.62 2gbs n ASN 55 Ca -0.08 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.54 2gbs n ASN 55 Cb 0.56 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.72 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2gbs s GLU 56 N 0.00 4.15 0.00 1.20 2.12 -1.26 -4.53 118.70 120.37 2gbs s GLU 56 Ca 0.00 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2gbs s GLU 56 Cb 0.00 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2gbs s GLU 56 CO 0.00 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.32 2gbs n GLY 57 N 3.83 2.30 3.55 -1.50 0.00 -1.26 -4.68 105.19 107.43 2gbs n GLY 57 Ca -0.15 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.88 -3.86 1.61 5.02 -0.93 -4.73 118.16 112.39 2gbs n LYS 58 Ca 0.00 0.65 -0.11 0.00 -2.02 0.00 0.00 58.31 56.82 2gbs n LYS 58 Cb 0.00 -5.03 -0.10 0.00 -0.02 0.00 0.00 35.03 29.87 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 -5.47 0.42 -0.30 1.97 -1.05 -1.12 0.41 118.70 113.55 2gbs s GLU 59 Ca 0.31 -0.25 -0.20 0.00 -0.15 0.00 0.00 54.97 54.68 2gbs s GLU 59 Cb -0.08 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.78 2gbs s GLU 59 CO 0.80 -0.09 0.61 0.42 0.95 0.00 0.00 175.26 177.95 2gbs s ILE 60 N -1.03 4.96 -0.18 1.83 1.01 0.14 -0.01 121.20 127.92 2gbs s ILE 60 Ca -0.11 0.85 0.15 0.00 0.00 0.00 0.00 60.65 61.54 2gbs s ILE 60 Cb -0.06 -3.98 -0.21 0.00 0.01 0.00 0.00 42.46 38.22 2gbs s ILE 60 CO 0.01 -0.11 0.04 1.33 0.00 0.00 0.00 174.94 176.21 2gbs n VAL 61 N 5.36 1.24 -3.83 2.92 0.24 -0.56 -1.27 118.33 122.42 2gbs n VAL 61 Ca -0.01 -0.74 -0.05 0.00 -2.04 0.00 0.00 64.34 61.50 2gbs n VAL 61 Cb 0.49 -0.60 0.02 0.00 -1.47 0.00 0.00 33.84 32.29 2gbs n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gbs n GLY 62 N 1.94 0.78 3.36 7.63 0.00 -1.25 -0.56 105.19 117.09 2gbs n GLY 62 Ca -0.30 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 2gbs n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbs s ILE 63 N -2.10 3.33 -0.12 -0.61 1.01 -0.28 -1.04 121.20 121.40 2gbs s ILE 63 Ca 0.19 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 2gbs s ILE 63 Cb -0.04 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2gbs s ILE 63 CO 0.08 0.47 0.10 0.00 0.00 0.00 0.00 174.94 175.59 2gbs s ALA 64 N 0.91 3.68 -0.03 9.38 0.00 0.14 -1.93 121.76 133.91 2gbs s ALA 64 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2gbs s ALA 64 Cb -0.15 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2gbs s ALA 64 CO 0.01 0.56 -0.07 -2.00 0.00 0.00 0.00 175.76 174.26 2gbs s GLU 65 N -0.84 2.64 -0.11 0.00 2.12 0.55 -0.10 118.70 122.96 2gbs s GLU 65 Ca 0.13 -0.64 -0.28 0.00 0.36 0.00 0.00 54.97 54.55 2gbs s GLU 65 Cb -0.12 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.72 2gbs s GLU 65 CO 0.03 0.63 0.93 0.42 -0.54 0.00 0.00 175.26 176.73 2gbs s ILE 66 N -0.90 4.84 -0.12 -3.70 -1.09 0.08 -1.44 121.20 118.87 2gbs s ILE 66 Ca 0.15 1.89 0.06 0.00 -2.23 0.00 0.00 60.65 60.52 2gbs s ILE 66 Cb -0.11 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.44 2gbs s ILE 66 CO 0.04 0.05 0.19 2.30 -1.23 0.00 0.00 174.94 176.29 2gbs n ILE 67 N 4.45 0.00 -4.93 2.92 -5.35 -0.56 -1.39 119.36 114.50 2gbs n ILE 67 Ca 0.06 -0.23 -0.33 0.00 -0.27 0.00 0.00 62.75 61.99 2gbs n ILE 67 Cb 0.49 0.61 -0.15 0.00 -1.74 0.00 0.00 39.64 38.85 2gbs n ILE 67 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2gbs s ARG 68 N -2.10 3.22 -0.76 6.28 6.06 -1.19 -4.77 118.95 125.69 2gbs s ARG 68 Ca -0.00 -0.75 -0.20 0.00 -2.50 0.00 0.00 55.73 52.27 2gbs s ARG 68 Cb 0.04 -2.51 0.10 0.00 0.06 0.00 0.00 34.95 32.65 2gbs s ARG 68 CO 0.26 0.23 0.99 -1.21 -2.50 0.00 0.00 175.30 173.06 2gbs s GLU 69 N 0.29 3.31 -0.12 5.12 2.02 -1.26 -4.35 118.70 123.71 2gbs s GLU 69 Ca -0.12 -1.33 -0.04 0.00 0.02 0.00 0.00 54.97 53.50 2gbs s GLU 69 Cb -0.16 -4.53 0.01 0.00 0.10 0.00 0.00 34.13 29.56 2gbs s GLU 69 CO 0.06 -1.74 0.08 0.00 0.02 0.00 0.00 175.26 173.68 2gbs n ALA 70 N 6.93 -2.56 -2.81 5.21 0.00 -1.26 -4.99 120.51 121.03 2gbs n ALA 70 Ca 0.07 0.84 -0.35 0.00 0.00 0.00 0.00 53.44 54.00 2gbs n ALA 70 Cb 0.46 -1.89 -0.09 0.00 0.00 0.00 0.00 19.45 17.94 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 -0.77 3.28 0.22 0.00 5.04 0.74 -4.95 117.35 120.91 2gbs s TYR 71 Ca -0.09 0.15 -0.32 0.00 -2.44 0.00 0.00 57.07 54.37 2gbs s TYR 71 Cb 0.01 -2.02 -0.14 0.00 0.35 0.00 0.00 41.96 40.15 2gbs s TYR 71 CO 0.41 0.27 1.39 -2.30 -1.34 0.00 0.00 175.55 173.98 2gbs n PRO 72 N 3.15 1.90 -2.82 4.97 -0.02 -1.26 -0.01 135.00 140.91 2gbs n PRO 72 Ca -0.17 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 2gbs n PRO 72 Cb 0.53 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 2gbs n PRO 72 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2gbs s ASP 73 N 0.33 7.28 -0.22 2.55 1.47 -1.24 -4.66 116.67 122.18 2gbs s ASP 73 Ca 0.70 1.78 0.12 0.00 1.18 0.00 0.00 52.55 56.33 2gbs s ASP 73 Cb -0.69 -2.56 0.71 0.00 -0.34 0.00 0.00 42.92 40.04 2gbs s ASP 73 CO 0.49 -0.08 1.59 -0.81 0.68 0.00 0.00 175.17 177.04 2gbs n PRO 74 N 0.49 4.28 -0.02 2.11 -0.04 -1.26 -4.25 135.00 136.30 2gbs n PRO 74 Ca 0.02 -2.73 0.01 0.00 -0.04 0.00 0.00 63.50 60.76 2gbs n PRO 74 Cb 0.50 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.73 2gbs n PRO 74 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gbs n THR 75 N 0.47 0.28 -4.08 0.52 -2.24 -1.26 -5.00 114.28 102.96 2gbs n THR 75 Ca 0.26 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.49 2gbs n THR 75 Cb 1.10 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2gbs n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gbs s ASP 76 N -3.55 5.58 0.19 3.42 2.15 -1.26 -5.03 116.67 118.17 2gbs s ASP 76 Ca -0.04 -0.14 0.13 0.00 0.43 0.00 0.00 52.55 52.93 2gbs s ASP 76 Cb 0.05 -1.47 -0.05 0.00 -0.30 0.00 0.00 42.92 41.15 2gbs s ASP 76 CO 0.38 0.04 1.29 0.00 -0.17 0.00 0.00 175.17 176.71 2gbs h ALA 77 N 2.14 0.58 -0.02 3.66 0.00 -1.94 -3.32 119.26 120.35 2gbs h ALA 77 Ca -0.48 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2gbs h ALA 77 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gbs h ALA 77 CO 0.63 0.88 0.00 0.43 0.00 0.00 0.00 179.25 181.19 2gbs n SER 78 N -3.21 1.87 -2.27 0.00 7.64 -1.26 -5.00 113.62 111.39 2gbs n SER 78 Ca -0.01 -1.44 -0.09 0.00 1.01 0.00 0.00 58.87 58.35 2gbs n SER 78 Cb 0.82 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 64.06 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gbs n GLY 79 N 0.56 0.02 0.05 0.23 0.00 -1.25 -4.93 105.19 99.88 2gbs n GLY 79 Ca 0.06 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.05 2gbs n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gbs n LYS 80 N -2.63 0.41 -3.99 1.61 4.81 -1.26 -4.81 118.16 112.30 2gbs n LYS 80 Ca -0.15 -0.11 -0.23 0.00 -0.87 0.00 0.00 58.31 56.96 2gbs n LYS 80 Cb 0.59 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2gbs s PHE 81 N -2.66 2.74 -0.07 5.64 0.08 -1.26 -5.11 117.98 117.34 2gbs s PHE 81 Ca 0.24 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.95 2gbs s PHE 81 Cb 0.20 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2gbs s PHE 81 CO 0.51 0.25 -0.23 0.14 -0.10 0.00 0.00 175.22 175.79 2gbs s VAL 82 N -2.42 1.95 -0.13 -0.44 -7.23 -1.26 -3.70 120.40 107.16 2gbs s VAL 82 Ca 0.40 -0.99 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 2gbs s VAL 82 Cb -0.03 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2gbs s VAL 82 CO 0.24 0.54 -0.05 0.00 -0.31 0.00 0.00 175.10 175.52 2gbs s VAL 84 N 0.06 2.63 -0.60 0.00 -7.23 -0.48 -0.18 120.40 114.60 2gbs s VAL 84 Ca -0.01 -0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 59.06 2gbs s VAL 84 Cb -0.14 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.78 2gbs s VAL 84 CO 0.03 0.55 1.17 -1.81 -0.31 0.00 0.00 175.10 174.72 2gbs s ASP 85 N 0.22 6.40 0.16 4.85 1.01 -1.26 -0.65 116.67 127.41 2gbs s ASP 85 Ca -0.11 -0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.17 2gbs s ASP 85 Cb -0.16 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 2gbs s ASP 85 CO 0.06 -1.49 0.17 0.27 0.21 0.00 0.00 175.17 174.39 2gbs s ILE 86 N 4.91 4.66 -0.05 0.77 -5.25 -0.49 -1.49 121.20 124.26 2gbs s ILE 86 Ca 0.40 -1.00 -0.05 0.00 -0.99 0.00 0.00 60.65 59.01 2gbs s ILE 86 Cb -0.08 -3.39 0.01 0.00 2.95 0.00 0.00 42.46 41.96 2gbs s ILE 86 CO 0.23 -0.10 0.15 -1.59 -1.79 0.00 0.00 174.94 171.84 2gbs s LYS 87 N -3.13 0.19 -0.42 0.37 -2.85 -0.52 -0.36 119.74 113.02 2gbs s LYS 87 Ca 0.32 0.19 -0.28 0.00 -1.00 0.00 0.00 55.97 55.20 2gbs s LYS 87 Cb -0.10 0.09 -0.02 0.00 -2.06 0.00 0.00 37.83 35.74 2gbs s LYS 87 CO 0.24 -0.02 1.85 0.00 0.10 0.00 0.00 175.35 177.52 2gbs s ALA 88 N 0.02 2.60 -0.12 0.59 0.00 -1.26 -0.33 121.76 123.26 2gbs s ALA 88 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 2gbs s ALA 88 Cb -0.01 -4.11 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 2gbs s ALA 88 CO 0.00 -3.09 -0.10 0.22 0.00 0.00 0.00 175.76 172.79 2gbs h ASP 89 N 13.84 0.00 -3.90 0.00 3.58 -1.71 -3.42 116.42 124.80 2gbs h ASP 89 Ca -0.31 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.03 2gbs h ASP 89 Cb 1.17 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.99 2gbs h ASP 89 CO 1.09 0.61 -0.18 -1.59 -2.88 0.00 0.00 179.24 176.29 2gbs s LYS 90 N -1.89 0.53 0.80 0.28 -2.85 -1.21 -5.05 119.74 110.35 2gbs s LYS 90 Ca -0.08 0.63 -0.07 0.00 -1.00 0.00 0.00 55.97 55.45 2gbs s LYS 90 Cb 0.01 0.26 0.14 0.00 -2.06 0.00 0.00 37.83 36.19 2gbs s LYS 90 CO 0.12 -0.06 1.11 -1.25 0.10 0.00 0.00 175.35 175.37 2gbs s PRO 91 N 0.24 1.38 0.20 1.78 0.04 -1.26 -1.12 135.00 136.25 2gbs s PRO 91 Ca -0.00 -0.74 -0.16 0.00 0.04 0.00 0.00 61.00 60.14 2gbs s PRO 91 Cb -0.03 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2gbs s PRO 91 CO 0.01 -1.76 0.63 -0.51 0.04 0.00 0.00 177.00 175.40 2gbs s LEU 92 N -5.42 4.30 0.13 -3.56 1.43 0.28 -4.78 118.68 111.07 2gbs s LEU 92 Ca 0.68 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.83 2gbs s LEU 92 Cb -0.06 -3.49 -0.00 0.00 0.03 0.00 0.00 46.19 42.68 2gbs s LEU 92 CO 0.47 0.04 1.66 0.50 0.23 0.00 0.00 176.35 179.25 2gbs h LYS 93 N 3.31 0.64 -4.33 1.70 3.64 -1.85 -3.39 116.57 116.28 2gbs h LYS 93 Ca -0.48 -0.13 -0.59 0.00 -1.27 0.00 0.00 60.65 58.18 2gbs h LYS 93 Cb 1.19 -0.10 -0.38 0.00 -0.41 0.00 0.00 32.23 32.54 2gbs h LYS 93 CO 0.66 0.62 -0.80 0.99 -2.27 0.00 0.00 179.45 178.66 2gbs s THR 94 N -5.44 1.39 0.15 1.00 2.01 0.31 -5.02 115.64 110.04 2gbs s THR 94 Ca -0.13 -0.93 -0.34 0.00 0.31 0.00 0.00 61.69 60.60 2gbs s THR 94 Cb 0.10 -1.57 -0.14 0.00 0.01 0.00 0.00 72.50 70.90 2gbs s THR 94 CO 0.76 0.06 1.58 -2.65 -0.69 0.00 0.00 174.62 173.69 2gbs n PRO 95 N 4.76 2.12 -3.26 4.92 -0.02 -1.26 -4.55 135.00 137.70 2gbs n PRO 95 Ca -0.13 0.76 -0.44 0.00 -2.02 0.00 0.00 63.50 61.68 2gbs n PRO 95 Cb 0.46 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 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 1.00 5.03 0.72 -1.45 1.01 -0.40 -4.85 120.40 121.46 2gbs s VAL 96 Ca 0.79 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2gbs s VAL 96 Cb -0.69 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 31.50 2gbs s VAL 96 CO 0.39 -0.69 1.07 0.42 0.00 0.00 0.00 175.10 176.29 2gbs s THR 97 N 2.22 3.77 0.52 3.92 -4.23 -1.26 0.27 115.64 120.85 2gbs s THR 97 Ca 0.11 0.57 0.17 0.00 -1.18 0.00 0.00 61.69 61.36 2gbs s THR 97 Cb -0.21 -3.28 0.28 0.00 1.34 0.00 0.00 72.50 70.63 2gbs s THR 97 CO 0.10 -0.75 2.13 0.25 -0.54 0.00 0.00 174.62 175.81 2gbs h LEU 98 N -0.84 0.02 -1.29 4.79 5.85 -0.34 -0.03 115.31 123.46 2gbs h LEU 98 Ca -0.44 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 2gbs h LEU 98 Cb 1.22 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2gbs h LEU 98 CO 0.56 0.01 -0.15 0.00 -0.34 0.00 0.00 178.44 178.52 2gbs h ALA 99 N 1.97 1.42 0.00 1.25 0.00 -1.92 -2.01 119.26 119.96 2gbs h ALA 99 Ca 0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2gbs h ALA 99 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2gbs h ALA 99 CO -0.00 0.40 -0.88 0.00 0.00 0.00 0.00 179.25 178.78 2gbs h ALA 100 N 1.58 0.52 -0.21 0.00 0.00 -1.40 -3.08 119.26 116.67 2gbs h ALA 100 Ca 0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 2gbs h ALA 100 Cb 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2gbs h ALA 100 CO 0.03 1.01 -0.05 0.28 0.00 0.00 0.00 179.25 180.51 2gbs h VAL 101 N 0.00 1.16 0.00 0.00 2.07 -0.70 -1.59 116.25 117.19 2gbs h VAL 101 Ca -0.03 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2gbs h VAL 101 Cb 1.62 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2gbs h VAL 101 CO 0.10 0.22 0.00 0.29 0.02 0.00 0.00 177.57 178.20 2gbs n LYS 102 N -4.31 0.41 0.00 1.57 5.02 -0.81 -2.82 118.16 117.22 2gbs n LYS 102 Ca 0.00 0.04 0.15 0.00 -2.02 0.00 0.00 58.31 56.48 2gbs n LYS 102 Cb 0.23 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.49 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs n ALA 103 N -1.25 2.64 -3.87 7.82 0.00 -0.60 -4.66 120.51 120.60 2gbs n ALA 103 Ca 0.13 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 2gbs n ALA 103 Cb 0.19 -1.42 -0.17 0.00 0.00 0.00 0.00 19.45 18.05 2gbs n ALA 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gbs s GLU 104 N -2.34 1.29 0.44 0.00 2.56 -1.13 -5.02 118.70 114.51 2gbs s GLU 104 Ca 0.35 -0.43 0.19 0.00 0.00 0.00 0.00 54.97 55.07 2gbs s GLU 104 Cb 0.21 -1.89 1.14 0.00 2.00 0.00 0.00 34.13 35.59 2gbs s GLU 104 CO 0.43 -0.43 1.89 -1.35 -0.56 0.00 0.00 175.26 175.24 2gbs h PRO 105 N 8.15 0.32 -0.12 4.30 0.11 -1.86 -0.44 132.00 142.46 2gbs h PRO 105 Ca -0.23 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 2gbs h PRO 105 Cb 1.11 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2gbs h PRO 105 CO 0.38 0.21 -0.02 0.00 -0.21 0.00 0.00 178.00 178.37 2gbs h ARG 106 N 0.33 0.17 -0.00 1.05 3.08 -1.95 -2.10 114.38 114.96 2gbs h ARG 106 Ca 0.42 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2gbs h ARG 106 Cb 1.12 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2gbs h ARG 106 CO -0.13 0.21 -0.26 1.28 -1.07 0.00 0.00 179.97 180.00 2gbs n LEU 107 N -4.41 0.75 0.21 3.04 4.77 -0.19 -3.62 117.00 117.55 2gbs n LEU 107 Ca -0.01 -0.12 0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2gbs n LEU 107 Cb 0.16 -0.18 0.33 0.00 -2.33 0.00 0.00 43.42 41.40 2gbs n LEU 107 CO 0.36 0.15 0.76 0.00 -1.33 0.00 0.00 177.39 177.32 2gbs h ALA 108 N 3.50 0.93 0.00 -1.18 0.00 -1.27 -2.72 119.26 118.52 2gbs h ALA 108 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2gbs h ALA 108 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2gbs h ALA 108 CO 0.00 0.26 -0.73 -3.47 0.00 0.00 0.00 179.25 175.30 2gbs n ASP 109 N -3.24 0.62 -4.77 0.00 2.03 -1.24 -4.61 116.55 105.34 2gbs n ASP 109 Ca 0.01 -0.26 -0.40 0.00 0.52 0.00 0.00 54.79 54.67 2gbs n ASP 109 Cb 0.50 0.48 0.01 0.00 -0.72 0.00 0.00 41.12 41.39 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 -3.09 3.83 0.66 -0.67 1.75 -1.03 -4.87 119.30 115.89 2gbs s MET 110 Ca 0.08 2.28 0.41 0.00 -1.25 0.00 0.00 55.69 57.21 2gbs s MET 110 Cb 0.16 -2.70 2.26 0.00 2.84 0.00 0.00 34.83 37.39 2gbs s MET 110 CO 0.75 -0.65 2.30 0.00 -0.65 0.00 0.00 175.02 176.77 2gbs h ALA 111 N 2.50 1.12 0.00 4.11 0.00 -1.90 0.39 119.26 125.48 2gbs h ALA 111 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 111 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gbs h ALA 111 CO 0.62 -0.05 -0.06 1.25 0.00 0.00 0.00 179.25 181.00 2gbs h LEU 112 N 0.00 0.00 0.00 0.00 5.85 -1.88 0.48 115.31 119.76 2gbs h LEU 112 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2gbs h LEU 112 Cb 0.10 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2gbs h LEU 112 CO -0.00 0.06 -1.65 0.23 -0.34 0.00 0.00 178.44 176.74 2gbs n MET 113 N -3.60 0.64 0.00 1.25 2.81 0.12 -4.54 117.12 113.80 2gbs n MET 113 Ca -0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2gbs n MET 113 Cb 0.17 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2gbs n MET 113 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2gbs n LYS 114 N -2.62 -0.51 -3.78 0.03 2.85 -1.02 -4.95 118.16 108.16 2gbs n LYS 114 Ca -0.09 -0.33 -0.29 0.00 -1.05 0.00 0.00 58.31 56.55 2gbs n LYS 114 Cb 0.73 -0.82 -0.15 0.00 -0.65 0.00 0.00 35.03 34.14 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2gbs s TYR 115 N -0.02 1.71 -0.06 5.58 2.02 0.17 -4.98 117.35 121.77 2gbs s TYR 115 Ca 0.00 -1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 55.11 2gbs s TYR 115 Cb 0.00 -1.55 -0.27 0.00 -0.40 0.00 0.00 41.96 39.73 2gbs s TYR 115 CO 0.00 -0.79 0.62 0.66 -1.57 0.00 0.00 175.55 174.47 2gbs h SER 116 N 8.09 0.41 1.45 2.29 4.64 -1.89 -3.35 113.55 125.19 2gbs h SER 116 Ca -0.15 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.46 2gbs h SER 116 Cb 1.05 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2gbs h SER 116 CO 0.43 1.62 0.00 0.03 -0.87 0.00 0.00 176.83 178.04 2gbs h ARG 117 N 0.07 0.00 -5.91 4.77 3.08 -1.96 -3.41 114.38 111.03 2gbs h ARG 117 Ca -0.34 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.11 2gbs h ARG 117 Cb 2.05 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.98 2gbs h ARG 117 CO 0.13 0.00 0.65 -1.17 -1.07 0.00 0.00 179.97 178.51 2gbs s LEU 118 N -6.02 4.00 0.22 3.04 2.96 -1.26 -4.86 118.68 116.78 2gbs s LEU 118 Ca 0.04 -0.42 0.23 0.00 -0.22 0.00 0.00 54.13 53.77 2gbs s LEU 118 Cb 0.07 -2.77 0.19 0.00 0.50 0.00 0.00 46.19 44.18 2gbs s LEU 118 CO 0.59 -1.34 1.25 0.28 -1.32 0.00 0.00 176.35 175.81 2gbs h SER 119 N 9.44 0.00 -3.55 3.68 0.02 -1.89 -3.43 113.55 117.81 2gbs h SER 119 Ca -0.27 -0.06 -0.61 0.00 -0.84 0.00 0.00 61.79 60.01 2gbs h SER 119 Cb 1.07 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.22 2gbs h SER 119 CO 1.13 0.03 -0.77 -0.69 -1.14 0.00 0.00 176.83 175.39 2gbs s VAL 120 N -3.27 1.51 0.13 2.27 1.01 -1.26 -1.66 120.40 119.13 2gbs s VAL 120 Ca 0.03 -1.42 0.08 0.00 0.00 0.00 0.00 61.98 60.67 2gbs s VAL 120 Cb 0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2gbs s VAL 120 CO 0.74 -0.29 -0.18 0.00 0.00 0.00 0.00 175.10 175.37 2gbs s GLN 121 N 1.37 1.15 0.15 2.72 -2.07 -0.78 -4.66 119.66 117.54 2gbs s GLN 121 Ca -0.00 -1.27 -0.22 0.00 -1.82 0.00 0.00 55.36 52.05 2gbs s GLN 121 Cb -0.19 -1.26 -0.08 0.00 -1.09 0.00 0.00 33.01 30.40 2gbs s GLN 121 CO -0.10 0.27 0.70 -1.25 -1.32 0.00 0.00 175.29 173.59 2gbs s PRO 122 N -2.39 4.37 -0.04 9.60 0.04 -1.26 -0.17 135.00 145.15 2gbs s PRO 122 Ca 0.10 0.95 0.06 0.00 0.04 0.00 0.00 61.00 62.16 2gbs s PRO 122 Cb -0.07 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 2gbs s PRO 122 CO 0.05 0.55 -0.24 0.08 0.04 0.00 0.00 177.00 177.47 2gbs s VAL 123 N -1.23 2.16 0.37 -0.36 1.01 0.59 -4.89 120.40 118.04 2gbs s VAL 123 Ca 0.35 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2gbs s VAL 123 Cb -0.20 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.31 2gbs s VAL 123 CO 0.23 0.57 1.00 0.42 0.00 0.00 0.00 175.10 177.32 2gbs s THR 124 N -0.36 4.00 0.28 3.92 -4.23 -1.26 -3.96 115.64 114.02 2gbs s THR 124 Ca 0.02 1.55 0.01 0.00 -1.18 0.00 0.00 61.69 62.09 2gbs s THR 124 Cb -0.12 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.18 2gbs s THR 124 CO 0.02 0.03 1.81 0.00 -0.54 0.00 0.00 174.62 175.93 2gbs h ALA 125 N 2.73 1.47 -0.33 3.99 0.00 -1.94 0.17 119.26 125.34 2gbs h ALA 125 Ca -0.48 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2gbs h ALA 125 Cb 1.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2gbs h ALA 125 CO 0.63 0.10 0.11 0.93 0.00 0.00 0.00 179.25 181.02 2gbs h GLU 126 N 0.86 0.51 -0.13 0.00 5.08 -1.98 -0.38 114.58 118.55 2gbs h GLU 126 Ca 0.50 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.54 2gbs h GLU 126 Cb 0.59 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2gbs h GLU 126 CO -0.30 0.54 -0.74 0.93 -1.00 0.00 0.00 179.01 178.44 2gbs h GLU 127 N 0.38 0.72 -0.13 2.33 4.39 -1.76 -1.15 114.58 119.36 2gbs h GLU 127 Ca 0.11 -0.61 0.04 0.00 0.34 0.00 0.00 59.36 59.24 2gbs h GLU 127 Cb 0.24 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2gbs h GLU 127 CO -0.00 1.22 -0.42 2.35 -1.16 0.00 0.00 179.01 181.00 2gbs h TRP 128 N 0.42 -1.19 0.00 4.33 2.91 -0.60 0.17 115.95 121.99 2gbs h TRP 128 Ca -0.06 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 2gbs h TRP 128 Cb 1.38 0.54 -0.00 0.00 -0.51 0.00 0.00 29.16 30.57 2gbs h TRP 128 CO 0.10 -0.47 -0.10 0.87 -1.03 0.00 0.00 178.44 177.81 2gbs h LYS 129 N -0.49 0.00 -0.07 2.65 1.57 -1.06 -0.99 116.57 118.18 2gbs h LYS 129 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2gbs h LYS 129 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2gbs h LYS 129 CO -0.40 0.10 -0.02 1.25 -0.57 0.00 0.00 179.45 179.81 2gbs h LEU 130 N 0.00 0.14 -0.57 2.94 5.85 -0.54 -1.18 115.31 121.95 2gbs h LEU 130 Ca -0.00 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 2gbs h LEU 130 Cb 0.69 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2gbs h LEU 130 CO 0.01 0.48 0.25 0.58 -0.34 0.00 0.00 178.44 179.42 2gbs h VAL 131 N -0.20 1.22 0.16 1.05 2.07 -0.53 0.16 116.25 120.18 2gbs h VAL 131 Ca 0.02 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.91 2gbs h VAL 131 Cb 0.42 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2gbs h VAL 131 CO 0.01 0.25 -0.24 0.00 0.02 0.00 0.00 177.57 177.61 2gbs h LYS 133 N -0.46 0.43 -0.03 0.00 3.64 -1.07 -0.69 116.57 118.40 2gbs h LYS 133 Ca 0.02 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2gbs h LYS 133 Cb 0.47 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2gbs h LYS 133 CO -0.11 0.50 -0.30 1.98 -2.27 0.00 0.00 179.45 179.25 2gbs h MET 134 N 0.41 0.05 -0.84 1.90 4.05 -0.15 -2.20 114.93 118.14 2gbs h MET 134 Ca 0.09 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2gbs h MET 134 Cb 0.35 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 2gbs h MET 134 CO 0.01 0.35 0.01 0.41 0.23 0.00 0.00 176.91 177.93 2gbs n GLY 135 N -0.63 2.13 2.47 1.39 0.00 0.38 -4.84 105.19 106.08 2gbs n GLY 135 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.23 0.55 3.49 -0.02 0.00 -0.83 -0.53 105.19 108.08 2gbs n GLY 136 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2gbs n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gbs s LEU 137 N 0.00 4.01 -0.57 0.99 2.96 -0.40 -4.74 118.68 120.93 2gbs s LEU 137 Ca 0.00 -1.04 0.04 0.00 -0.22 0.00 0.00 54.13 52.91 2gbs s LEU 137 Cb 0.00 -2.48 0.16 0.00 0.50 0.00 0.00 46.19 44.37 2gbs s LEU 137 CO 0.00 -1.51 0.39 -0.76 -1.32 0.00 0.00 176.35 173.14 2gbs s LEU 138 N 4.48 3.60 0.05 -0.68 1.43 -1.26 -3.66 118.68 122.64 2gbs s LEU 138 Ca 0.30 -3.37 0.27 0.00 -1.03 0.00 0.00 54.13 50.31 2gbs s LEU 138 Cb -0.11 -1.25 1.10 0.00 0.03 0.00 0.00 46.19 45.96 2gbs s LEU 138 CO 0.06 -0.15 1.86 -0.62 0.23 0.00 0.00 176.35 177.73 2gbs n GLU 139 N 2.57 0.07 -3.71 1.70 -0.58 -1.26 -4.16 120.64 115.28 2gbs n GLU 139 Ca 0.18 0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.72 2gbs n GLU 139 Cb 0.38 -1.58 -0.11 0.00 -0.57 0.00 0.00 31.44 29.55 2gbs n GLU 139 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2gbs s HIS 140 N -3.03 2.55 -1.28 -0.32 2.46 -1.26 -4.85 115.29 109.55 2gbs s HIS 140 Ca 0.13 -2.90 -0.10 0.00 0.47 0.00 0.00 55.06 52.66 2gbs s HIS 140 Cb 0.17 -2.01 0.16 0.00 -0.13 0.00 0.00 32.58 30.77 2gbs s HIS 140 CO 0.53 -0.67 1.84 1.58 -2.47 0.00 0.00 174.74 175.55 2gbs n HIS 141 N 2.44 3.22 0.00 3.88 -0.00 -1.26 -4.67 115.22 118.83 2gbs n HIS 141 Ca 0.22 -2.87 0.00 0.00 -0.00 0.00 0.00 57.72 55.07 2gbs n HIS 141 Cb 0.39 -2.01 0.00 0.00 -0.00 0.00 0.00 29.99 28.37 2gbs n HIS 141 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2gbs n HIS 142 N 4.23 0.00 -1.67 1.57 -0.00 -1.26 -4.88 115.22 113.20 2gbs n HIS 142 Ca 0.40 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.70 2gbs n HIS 142 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.33 2gbs n HIS 142 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2gbs s HIS 143 N 0.00 1.28 0.70 1.57 5.65 -1.26 -4.96 115.29 118.27 2gbs s HIS 143 Ca 0.00 -0.19 -0.13 0.00 0.25 0.00 0.00 55.06 54.99 2gbs s HIS 143 Cb 0.00 -4.16 0.02 0.00 -1.18 0.00 0.00 32.58 27.26 2gbs s HIS 143 CO 0.00 -5.14 1.09 -3.38 -0.65 0.00 0.00 174.74 166.66 2gbs s HIS 144 N 5.39 2.71 -0.50 3.88 0.00 -1.26 -4.61 115.29 120.90 2gbs s HIS 144 Ca 0.91 1.53 0.04 0.00 -3.00 0.00 0.00 55.06 54.54 2gbs s HIS 144 Cb -0.40 -3.06 0.03 0.00 -4.00 0.00 0.00 32.58 25.15 2gbs s HIS 144 CO 0.40 -1.61 0.63 1.58 -1.00 0.00 0.00 174.74 174.73