#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 3.18 -0.02 2.33 0.00 -1.26 -4.84 121.76 121.15 2gbs s ALA 2 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.88 2gbs s ALA 2 Cb 0.00 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 2gbs s ALA 2 CO 0.00 -1.44 -0.20 0.71 0.00 0.00 0.00 175.76 174.82 2gbs s TYR 3 N -3.28 1.86 0.26 0.00 2.02 -1.25 -1.92 117.35 115.05 2gbs s TYR 3 Ca 0.63 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.97 2gbs s TYR 3 Cb -0.09 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 2gbs s TYR 3 CO 0.45 -0.07 0.15 0.91 -1.57 0.00 0.00 175.55 175.42 2gbs n TRP 4 N 2.70 -0.22 -3.73 2.71 7.02 0.26 -0.32 117.44 125.85 2gbs n TRP 4 Ca -0.16 -1.90 -0.12 0.00 -1.02 0.00 0.00 57.50 54.30 2gbs n TRP 4 Cb 0.53 0.10 -0.12 0.00 -2.42 0.00 0.00 31.31 29.40 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 0.42 0.01 -0.99 0.20 0.28 -0.87 118.68 117.73 2gbs s LEU 5 Ca 0.21 0.66 0.08 0.00 0.69 0.00 0.00 54.13 55.77 2gbs s LEU 5 Cb 0.01 1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 46.76 2gbs s LEU 5 CO 0.15 -0.15 -0.22 0.68 -0.29 0.00 0.00 176.35 176.51 2gbs s VAL 6 N 0.91 2.41 -0.28 1.68 -7.23 -0.03 -1.41 120.40 116.46 2gbs s VAL 6 Ca -0.06 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2gbs s VAL 6 Cb -0.07 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 35.00 2gbs s VAL 6 CO -0.07 0.45 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.57 2gbs s LYS 7 N -1.05 2.24 -0.00 4.82 1.02 -1.22 -1.03 119.74 124.52 2gbs s LYS 7 Ca 0.12 -1.37 0.06 0.00 0.02 0.00 0.00 55.97 54.80 2gbs s LYS 7 Cb -0.10 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 2gbs s LYS 7 CO 0.02 -0.62 -0.20 -1.54 -0.92 0.00 0.00 175.35 172.10 2gbs s SER 8 N 1.15 2.30 0.11 2.83 1.04 -0.37 -4.79 113.70 115.97 2gbs s SER 8 Ca -0.06 -0.38 -0.28 0.00 0.48 0.00 0.00 55.95 55.70 2gbs s SER 8 Cb -0.20 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.62 2gbs s SER 8 CO -0.04 0.22 0.89 -1.61 0.98 0.00 0.00 173.24 173.68 2gbs s GLU 9 N -0.60 4.64 0.59 4.02 2.02 -1.26 -0.29 118.70 127.83 2gbs s GLU 9 Ca 0.07 1.32 0.35 0.00 0.02 0.00 0.00 54.97 56.73 2gbs s GLU 9 Cb -0.08 -3.35 1.88 0.00 0.10 0.00 0.00 34.13 32.67 2gbs s GLU 9 CO -0.00 0.29 2.21 -1.35 0.02 0.00 0.00 175.26 176.43 2gbs h PRO 10 N 5.37 0.00 0.00 0.39 0.11 -1.74 0.19 132.00 136.32 2gbs h PRO 10 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2gbs h PRO 10 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2gbs h PRO 10 CO 0.71 0.04 0.00 1.03 -0.21 0.00 0.00 178.00 179.56 2gbs h SER 11 N 0.00 0.00 0.00 -2.05 0.87 -1.92 -3.34 113.55 107.12 2gbs h SER 11 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gbs h SER 11 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2gbs h SER 11 CO 0.00 0.00 -0.79 0.52 -0.53 0.00 0.00 176.83 176.04 2gbs n VAL 12 N -2.83 1.38 -4.15 2.23 0.31 0.39 -5.02 118.33 110.65 2gbs n VAL 12 Ca 0.01 0.20 -0.19 0.00 -0.01 0.00 0.00 64.34 64.35 2gbs n VAL 12 Cb 0.29 -2.18 -0.16 0.00 -0.91 0.00 0.00 33.84 30.88 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 -2.67 0.66 0.50 3.52 -0.11 0.29 -5.05 118.94 116.09 2gbs s TRP 13 Ca -0.23 -0.16 0.08 0.00 1.22 0.00 0.00 56.10 57.01 2gbs s TRP 13 Cb 0.03 -0.59 0.04 0.00 -1.50 0.00 0.00 33.47 31.45 2gbs s TRP 13 CO 0.34 -0.16 0.60 -1.54 -4.62 0.00 0.00 176.95 171.57 2gbs s SER 14 N 0.79 5.15 0.11 5.86 1.04 -1.26 -3.69 113.70 121.69 2gbs s SER 14 Ca -0.10 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.48 2gbs s SER 14 Cb -0.13 -0.07 -0.16 0.00 0.10 0.00 0.00 66.02 65.76 2gbs s SER 14 CO 0.00 -1.04 1.24 -0.25 0.98 0.00 0.00 173.24 174.18 2gbs h TRP 15 N 0.54 0.65 -0.53 5.02 2.91 -1.98 -3.30 115.95 119.27 2gbs h TRP 15 Ca -0.36 -0.38 0.08 0.00 1.13 0.00 0.00 58.89 59.36 2gbs h TRP 15 Cb 1.28 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.81 2gbs h TRP 15 CO 0.53 1.23 0.16 -0.44 -1.03 0.00 0.00 178.44 178.89 2gbs h ASP 16 N 0.21 0.12 -0.91 2.65 5.19 -1.99 -0.78 116.42 120.91 2gbs h ASP 16 Ca -0.11 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2gbs h ASP 16 Cb 1.70 0.08 -0.04 0.00 0.18 0.00 0.00 39.33 41.25 2gbs h ASP 16 CO 0.18 0.09 0.57 1.56 -3.12 0.00 0.00 179.24 178.52 2gbs h GLN 17 N 0.32 1.22 0.00 3.56 4.20 -1.98 -1.93 115.11 120.50 2gbs h GLN 17 Ca 0.26 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2gbs h GLN 17 Cb 0.32 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2gbs h GLN 17 CO -0.29 0.84 -0.15 0.37 -0.67 0.00 0.00 178.83 178.92 2gbs h GLN 18 N 1.24 0.00 -0.23 1.46 -0.00 -1.40 -1.43 115.11 114.76 2gbs h GLN 18 Ca 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.91 2gbs h GLN 18 Cb -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.39 2gbs h GLN 18 CO -0.07 0.15 -0.12 0.28 0.00 0.00 0.00 178.83 179.07 2gbs h VAL 19 N 0.00 1.31 0.00 2.39 2.07 -0.44 0.14 116.25 121.72 2gbs h VAL 19 Ca -0.00 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 2gbs h VAL 19 Cb 0.92 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2gbs h VAL 19 CO 0.02 0.37 -0.22 0.00 0.02 0.00 0.00 177.57 177.76 2gbs h ALA 20 N 0.71 1.41 -0.52 1.67 0.00 -1.10 -1.65 119.26 119.78 2gbs h ALA 20 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2gbs h ALA 20 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gbs h ALA 20 CO 0.04 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.19 2gbs n LYS 21 N -3.94 3.90 0.25 0.00 5.02 -0.56 -4.41 118.16 118.42 2gbs n LYS 21 Ca -0.02 -2.92 0.15 0.00 -2.02 0.00 0.00 58.31 53.51 2gbs n LYS 21 Cb 0.30 -1.97 0.53 0.00 -0.02 0.00 0.00 35.03 33.88 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 3.41 0.00 0.49 0.72 0.00 0.30 0.42 103.07 108.41 2gbs h GLY 22 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2gbs h GLY 22 CO 0.30 0.00 -1.01 0.00 0.00 0.00 0.00 176.54 175.83 2gbs h ALA 23 N 2.03 0.06 0.07 3.60 0.00 -1.77 -3.40 119.26 119.85 2gbs h ALA 23 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.93 2gbs h ALA 23 Cb 0.64 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2gbs h ALA 23 CO 0.00 0.55 -0.43 0.00 0.00 0.00 0.00 179.25 179.38 2gbs h ALA 24 N -0.03 -0.04 0.00 0.00 0.00 -1.83 -3.51 119.26 113.85 2gbs h ALA 24 Ca -0.21 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2gbs h ALA 24 Cb 1.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2gbs h ALA 24 CO 0.06 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2gbs n GLY 25 N 1.64 1.98 2.88 0.00 0.00 0.15 -5.05 105.19 106.78 2gbs n GLY 25 Ca -0.12 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.62 1.20 -0.59 1.61 2.56 0.15 -4.80 118.70 117.21 2gbs s GLU 26 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 54.97 54.56 2gbs s GLU 26 Cb 0.00 -1.30 0.04 0.00 2.00 0.00 0.00 34.13 34.87 2gbs s GLU 26 CO 0.00 -0.22 1.07 0.00 -0.56 0.00 0.00 175.26 175.55 2gbs s ALA 27 N 1.56 3.05 -1.26 6.30 0.00 -1.26 -0.83 121.76 129.32 2gbs s ALA 27 Ca 0.01 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.65 2gbs s ALA 27 Cb -0.13 -3.91 0.06 0.00 0.00 0.00 0.00 23.12 19.14 2gbs s ALA 27 CO -0.05 -2.61 1.72 -0.46 0.00 0.00 0.00 175.76 174.36 2gbs s TRP 28 N 4.53 2.72 0.20 0.00 -0.11 0.50 -4.93 118.94 121.84 2gbs s TRP 28 Ca 0.35 -1.45 0.11 0.00 1.22 0.00 0.00 56.10 56.33 2gbs s TRP 28 Cb -0.10 -4.72 -0.04 0.00 -1.50 0.00 0.00 33.47 27.10 2gbs s TRP 28 CO 0.21 -1.80 -0.23 -0.08 -4.62 0.00 0.00 176.95 170.43 2gbs s THR 29 N 4.60 2.31 0.00 5.86 -1.32 -1.26 -3.03 115.64 122.80 2gbs s THR 29 Ca 0.54 -2.07 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 2gbs s THR 29 Cb 0.03 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 2gbs s THR 29 CO 0.06 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 2gbs n GLY 30 N 0.16 1.10 3.50 6.08 0.00 -1.26 -5.01 105.19 109.76 2gbs n GLY 30 Ca -0.12 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.05 4.24 -1.52 1.61 -7.23 -1.26 -4.82 120.40 109.36 2gbs s VAL 31 Ca 0.00 -0.77 0.26 0.00 -1.81 0.00 0.00 61.98 59.66 2gbs s VAL 31 Cb 0.00 -4.87 0.50 0.00 0.56 0.00 0.00 36.38 32.57 2gbs s VAL 31 CO 0.00 -1.69 1.88 -2.11 -0.31 0.00 0.00 175.10 172.87 2gbs n ARG 32 N 7.96 0.44 -2.83 4.82 1.85 -1.26 -4.63 116.66 123.01 2gbs n ARG 32 Ca 0.18 0.04 -0.42 0.00 -1.00 0.00 0.00 57.85 56.64 2gbs n ARG 32 Cb 0.49 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.36 2gbs n ARG 32 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2gbs s ASN 33 N -2.48 6.70 0.31 2.89 -0.87 -1.26 -4.92 114.94 115.31 2gbs s ASN 33 Ca 0.27 0.65 0.03 0.00 -1.57 0.00 0.00 52.86 52.24 2gbs s ASN 33 Cb 0.17 -2.45 0.52 0.00 -0.02 0.00 0.00 41.25 39.47 2gbs s ASN 33 CO 0.38 -0.78 1.83 -0.74 -2.57 0.00 0.00 177.10 175.22 2gbs h HIS 34 N 8.32 0.61 -0.81 2.20 2.76 -2.00 -1.94 115.15 124.28 2gbs h HIS 34 Ca -0.23 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 57.82 2gbs h HIS 34 Cb 1.08 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.84 2gbs h HIS 34 CO 0.81 0.61 0.34 0.66 -1.30 0.00 0.00 177.93 179.05 2gbs h SER 35 N 0.55 1.10 -0.36 3.26 4.64 -1.96 -1.79 113.55 118.99 2gbs h SER 35 Ca 0.11 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2gbs h SER 35 Cb 0.40 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2gbs h SER 35 CO 0.02 0.96 0.23 0.00 -0.87 0.00 0.00 176.83 177.17 2gbs h ALA 36 N 1.20 0.46 -0.53 5.18 0.00 -1.66 -2.24 119.26 121.66 2gbs h ALA 36 Ca 0.27 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2gbs h ALA 36 Cb 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2gbs h ALA 36 CO -0.03 -0.10 0.22 -0.22 0.00 0.00 0.00 179.25 179.13 2gbs h LYS 37 N 0.47 0.42 -0.49 0.00 3.64 -1.00 0.32 116.57 119.93 2gbs h LYS 37 Ca 0.14 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2gbs h LYS 37 Cb -0.04 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2gbs h LYS 37 CO -0.04 0.28 0.32 -0.07 -2.27 0.00 0.00 179.45 177.67 2gbs h LEU 38 N 0.43 0.43 -0.02 5.20 3.38 -0.82 0.19 115.31 124.10 2gbs h LEU 38 Ca 0.25 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 2gbs h LEU 38 Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2gbs h LEU 38 CO -0.22 0.29 -1.04 0.45 0.09 0.00 0.00 178.44 178.00 2gbs h HIS 39 N 0.49 0.18 0.00 1.13 3.86 -0.72 -3.27 115.15 116.82 2gbs h HIS 39 Ca 0.20 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 59.17 2gbs h HIS 39 Cb 0.19 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2gbs h HIS 39 CO -0.00 1.07 -0.56 0.52 0.86 0.00 0.00 177.93 179.82 2gbs h MET 40 N 0.03 0.00 0.00 2.45 2.86 0.69 -2.83 114.93 118.13 2gbs h MET 40 Ca -0.05 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 2gbs h MET 40 Cb 1.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 2gbs h MET 40 CO 0.15 0.56 -0.45 0.28 1.06 0.00 0.00 176.91 178.51 2gbs h VAL 41 N 0.00 1.29 0.00 -2.22 2.07 -0.77 -2.44 116.25 114.19 2gbs h VAL 41 Ca -0.01 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2gbs h VAL 41 Cb 1.30 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2gbs h VAL 41 CO 0.07 0.44 -0.02 0.00 0.02 0.00 0.00 177.57 178.09 2gbs n ALA 42 N -2.44 2.31 -2.05 1.67 0.00 -1.09 -4.80 120.51 114.11 2gbs n ALA 42 Ca -0.02 -0.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 2gbs n ALA 42 Cb 0.48 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.08 4.42 0.13 0.00 -1.94 -0.92 -4.91 119.30 113.00 2gbs s MET 43 Ca 0.11 1.97 0.04 0.00 -1.71 0.00 0.00 55.69 56.10 2gbs s MET 43 Cb 0.14 -3.22 -0.04 0.00 2.01 0.00 0.00 34.83 33.71 2gbs s MET 43 CO 0.59 -0.20 -0.09 0.50 -0.01 0.00 0.00 175.02 175.80 2gbs s ARG 44 N -0.04 0.98 -0.26 2.03 3.52 -1.26 -4.40 118.95 119.53 2gbs s ARG 44 Ca 0.56 -1.40 -0.38 0.00 -0.13 0.00 0.00 55.73 54.38 2gbs s ARG 44 Cb -0.35 -0.51 -0.14 0.00 -1.56 0.00 0.00 34.95 32.39 2gbs s ARG 44 CO 0.37 0.05 1.85 0.54 -0.81 0.00 0.00 175.30 177.30 2gbs n ARG 45 N -0.10 1.35 0.00 5.12 1.74 -1.26 -0.69 116.66 122.82 2gbs n ARG 45 Ca -0.11 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2gbs n ARG 45 Cb 0.60 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 2gbs n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gbs n GLY 46 N 4.67 1.56 3.76 -0.13 0.00 -0.91 -4.61 105.19 109.53 2gbs n GLY 46 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.38 5.80 -0.00 1.61 1.11 0.14 -4.63 116.67 119.32 2gbs s ASP 47 Ca 0.00 2.59 0.03 0.00 0.18 0.00 0.00 52.55 55.35 2gbs s ASP 47 Cb 0.00 -2.63 -0.01 0.00 1.07 0.00 0.00 42.92 41.36 2gbs s ASP 47 CO 0.00 -1.19 -0.09 -0.13 1.18 0.00 0.00 175.17 174.94 2gbs s ARG 48 N -2.69 0.72 0.19 8.23 0.52 -0.81 -0.23 118.95 124.88 2gbs s ARG 48 Ca 0.66 -0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.61 2gbs s ARG 48 Cb -0.36 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 2gbs s ARG 48 CO 0.44 0.19 -0.18 0.00 0.02 0.00 0.00 175.30 175.76 2gbs s ALA 49 N -0.27 2.17 -0.07 2.13 0.00 0.79 -0.57 121.76 125.93 2gbs s ALA 49 Ca 0.03 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.20 2gbs s ALA 49 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2gbs s ALA 49 CO -0.00 0.23 0.55 -0.06 0.00 0.00 0.00 175.76 176.48 2gbs s PHE 50 N -2.26 3.58 -0.61 0.00 0.08 -0.05 -0.90 117.98 117.82 2gbs s PHE 50 Ca 0.20 1.05 -0.22 0.00 0.12 0.00 0.00 56.93 58.08 2gbs s PHE 50 Cb -0.05 -2.61 0.07 0.00 -0.57 0.00 0.00 43.02 39.85 2gbs s PHE 50 CO 0.08 0.22 0.89 -0.47 -0.10 0.00 0.00 175.22 175.84 2gbs s TYR 51 N 0.39 2.78 -0.22 0.36 5.04 0.58 -0.85 117.35 125.43 2gbs s TYR 51 Ca 0.30 -0.47 -0.08 0.00 -2.44 0.00 0.00 57.07 54.38 2gbs s TYR 51 Cb -0.17 -4.12 -0.04 0.00 0.35 0.00 0.00 41.96 37.98 2gbs s TYR 51 CO 0.14 -1.47 0.09 -0.47 -1.34 0.00 0.00 175.55 172.49 2gbs s TYR 52 N 3.73 3.20 -0.63 4.97 6.14 -0.20 -1.41 117.35 133.15 2gbs s TYR 52 Ca 0.22 -0.06 -0.28 0.00 0.64 0.00 0.00 57.07 57.60 2gbs s TYR 52 Cb -0.17 -2.17 0.02 0.00 0.42 0.00 0.00 41.96 40.06 2gbs s TYR 52 CO 0.12 -0.04 1.35 -1.01 0.64 0.00 0.00 175.55 176.61 2gbs s HIS 53 N 0.95 2.31 0.44 4.97 3.76 0.93 -1.24 115.29 127.42 2gbs s HIS 53 Ca 0.05 0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 55.09 2gbs s HIS 53 Cb -0.14 -4.48 -0.09 0.00 1.11 0.00 0.00 32.58 28.98 2gbs s HIS 53 CO 0.03 -1.94 0.92 0.45 -0.85 0.00 0.00 174.74 173.35 2gbs s SER 54 N 4.12 6.79 0.00 1.40 0.15 0.61 -1.02 113.70 125.74 2gbs s SER 54 Ca 0.46 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2gbs s SER 54 Cb -0.09 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2gbs s SER 54 CO 0.22 -0.42 0.00 -3.20 1.20 0.00 0.00 173.24 171.04 2gbs n ASN 55 N -0.95 0.00 -4.54 5.45 5.15 -1.26 -4.08 115.26 115.02 2gbs n ASN 55 Ca 0.06 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.63 2gbs n ASN 55 Cb 0.54 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.70 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 3.56 0.00 1.20 2.12 -1.26 -4.44 118.70 119.87 2gbs s GLU 56 Ca 0.00 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.97 2gbs s GLU 56 Cb 0.00 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2gbs s GLU 56 CO 0.00 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 2gbs n GLY 57 N 4.91 2.77 3.23 -1.50 0.00 -1.26 -4.62 105.19 108.73 2gbs n GLY 57 Ca -0.08 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.42 -3.73 1.61 5.02 -0.19 -4.77 118.16 114.69 2gbs n LYS 58 Ca 0.00 1.34 -0.14 0.00 -2.02 0.00 0.00 58.31 57.50 2gbs n LYS 58 Cb 0.00 -4.89 -0.09 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.45 0.62 -0.40 1.97 -1.05 -1.17 -0.75 118.70 114.47 2gbs s GLU 59 Ca 0.01 0.18 -0.18 0.00 -0.15 0.00 0.00 54.97 54.83 2gbs s GLU 59 Cb -0.00 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2gbs s GLU 59 CO 0.79 -0.14 0.52 0.42 0.95 0.00 0.00 175.26 177.79 2gbs s ILE 60 N -0.65 4.99 -0.14 1.83 1.01 0.22 -0.05 121.20 128.42 2gbs s ILE 60 Ca -0.07 0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.69 2gbs s ILE 60 Cb -0.04 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.21 2gbs s ILE 60 CO 0.03 -0.40 0.02 1.33 0.00 0.00 0.00 174.94 175.93 2gbs n VAL 61 N 5.55 0.95 -4.02 2.92 0.24 -0.50 -1.25 118.33 122.22 2gbs n VAL 61 Ca -0.05 -0.56 -0.10 0.00 -2.04 0.00 0.00 64.34 61.59 2gbs n VAL 61 Cb 0.48 -0.69 -0.05 0.00 -1.47 0.00 0.00 33.84 32.11 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 -4.82 0.77 -0.15 7.63 0.00 -1.24 -0.18 107.32 109.32 2gbs s GLY 62 Ca -0.09 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 2gbs s GLY 62 CO 0.55 -0.73 -0.14 -0.42 0.00 0.00 0.00 173.10 172.36 2gbs s ILE 63 N -3.73 2.83 -0.11 0.90 1.01 0.21 -0.30 121.20 122.01 2gbs s ILE 63 Ca 0.25 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2gbs s ILE 63 Cb -0.00 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2gbs s ILE 63 CO 0.12 0.51 -0.09 0.00 0.00 0.00 0.00 174.94 175.48 2gbs s ALA 64 N 0.75 2.83 -0.03 9.38 0.00 -0.08 -0.45 121.76 134.16 2gbs s ALA 64 Ca -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2gbs s ALA 64 Cb -0.15 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2gbs s ALA 64 CO 0.01 0.39 -0.02 -2.00 0.00 0.00 0.00 175.76 174.14 2gbs s GLU 65 N -0.16 2.80 -0.22 0.00 2.12 -0.35 -0.15 118.70 122.74 2gbs s GLU 65 Ca 0.01 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 2gbs s GLU 65 Cb -0.13 -2.67 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 2gbs s GLU 65 CO 0.03 0.65 1.28 0.42 -0.54 0.00 0.00 175.26 177.10 2gbs s ILE 66 N -0.99 4.23 -0.40 -3.70 -1.09 0.68 -1.74 121.20 118.18 2gbs s ILE 66 Ca 0.17 1.45 0.07 0.00 -2.23 0.00 0.00 60.65 60.11 2gbs s ILE 66 Cb -0.11 -4.06 0.19 0.00 -1.58 0.00 0.00 42.46 36.90 2gbs s ILE 66 CO 0.07 -0.26 1.15 2.30 -1.23 0.00 0.00 174.94 176.97 2gbs n ILE 67 N 5.70 1.18 -3.65 2.92 -5.35 0.58 -2.14 119.36 118.61 2gbs n ILE 67 Ca 0.14 -1.18 -0.13 0.00 -0.27 0.00 0.00 62.75 61.32 2gbs n ILE 67 Cb 0.45 0.37 -0.08 0.00 -1.74 0.00 0.00 39.64 38.65 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 -1.31 0.76 0.78 6.28 3.52 -1.22 -4.95 118.95 122.81 2gbs s ARG 68 Ca 0.16 0.97 -0.13 0.00 -0.13 0.00 0.00 55.73 56.60 2gbs s ARG 68 Cb 0.10 0.33 0.07 0.00 -1.56 0.00 0.00 34.95 33.89 2gbs s ARG 68 CO 0.07 -0.10 1.15 -1.21 -0.81 0.00 0.00 175.30 174.40 2gbs s GLU 69 N 0.57 1.94 -0.07 5.12 0.41 -1.26 -4.01 118.70 121.40 2gbs s GLU 69 Ca -0.02 1.52 -0.30 0.00 -0.41 0.00 0.00 54.97 55.76 2gbs s GLU 69 Cb -0.05 -1.83 -0.06 0.00 -1.78 0.00 0.00 34.13 30.41 2gbs s GLU 69 CO -0.03 -1.94 1.73 0.00 -0.49 0.00 0.00 175.26 174.54 2gbs s ALA 70 N -2.43 3.52 0.05 5.21 0.00 -1.26 -4.78 121.76 122.06 2gbs s ALA 70 Ca 0.68 0.93 0.04 0.00 0.00 0.00 0.00 51.96 53.61 2gbs s ALA 70 Cb -0.23 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 2gbs s ALA 70 CO 0.51 -1.58 -0.12 1.52 0.00 0.00 0.00 175.76 176.09 2gbs s TYR 71 N 4.49 1.04 0.54 0.00 1.13 -0.96 -4.96 117.35 118.62 2gbs s TYR 71 Ca 0.77 -0.41 -0.20 0.00 -1.41 0.00 0.00 57.07 55.82 2gbs s TYR 71 Cb -0.34 -0.60 -0.08 0.00 -1.10 0.00 0.00 41.96 39.84 2gbs s TYR 71 CO 0.32 0.01 0.73 -2.30 -2.51 0.00 0.00 175.55 171.80 2gbs n PRO 72 N 1.64 0.76 -1.61 -3.49 -0.02 -1.26 0.03 135.00 131.05 2gbs n PRO 72 Ca -0.20 0.29 -0.46 0.00 -2.02 0.00 0.00 63.50 61.11 2gbs n PRO 72 Cb 0.55 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 2gbs n PRO 72 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2gbs n ASP 73 N 0.23 1.70 0.30 2.55 9.92 -1.20 -4.50 116.55 125.55 2gbs n ASP 73 Ca 0.12 1.16 0.19 0.00 -0.53 0.00 0.00 54.79 55.73 2gbs n ASP 73 Cb 0.45 -1.30 0.89 0.00 -0.64 0.00 0.00 41.12 40.53 2gbs n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2gbs h PRO 74 N 3.13 0.00 0.00 -0.24 0.13 -1.97 -2.54 132.00 130.52 2gbs h PRO 74 Ca -0.43 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.38 2gbs h PRO 74 Cb 1.32 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 2gbs h PRO 74 CO 0.68 0.00 -1.94 -2.37 -0.23 0.00 0.00 178.00 174.14 2gbs n THR 75 N -3.09 1.54 -3.57 1.56 5.66 -1.26 -4.78 114.28 110.35 2gbs n THR 75 Ca -0.01 -0.81 -0.29 0.00 -3.05 0.00 0.00 64.05 59.89 2gbs n THR 75 Cb 0.22 -0.87 -0.13 0.00 -1.55 0.00 0.00 70.33 67.99 2gbs n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2gbs s ASP 76 N -5.92 3.33 0.40 1.09 1.01 -0.96 -4.93 116.67 110.69 2gbs s ASP 76 Ca -0.07 -2.14 0.21 0.00 0.71 0.00 0.00 52.55 51.26 2gbs s ASP 76 Cb 0.07 -0.61 0.72 0.00 1.01 0.00 0.00 42.92 44.11 2gbs s ASP 76 CO 0.82 -0.32 1.74 0.00 0.21 0.00 0.00 175.17 177.62 2gbs h ALA 77 N 7.22 0.96 -0.48 5.23 0.00 -1.85 -2.59 119.26 127.76 2gbs h ALA 77 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2gbs h ALA 77 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2gbs h ALA 77 CO 0.37 0.37 0.00 0.43 0.00 0.00 0.00 179.25 180.41 2gbs n SER 78 N -3.39 3.41 0.27 0.00 7.64 -1.26 -4.24 113.62 116.04 2gbs n SER 78 Ca 0.00 -1.96 0.17 0.00 1.01 0.00 0.00 58.87 58.10 2gbs n SER 78 Cb 0.50 -0.32 0.75 0.00 -1.01 0.00 0.00 64.21 64.13 2gbs n SER 78 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2gbs h GLY 79 N 3.67 0.00 -0.34 0.23 0.00 -1.84 -3.46 103.07 101.33 2gbs h GLY 79 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2gbs h GLY 79 CO 0.00 0.00 -0.12 1.17 0.00 0.00 0.00 176.54 177.59 2gbs n LYS 80 N -2.96 -0.45 -4.74 4.80 4.81 -1.26 -5.01 118.16 113.34 2gbs n LYS 80 Ca 0.00 0.70 -0.32 0.00 -0.87 0.00 0.00 58.31 57.82 2gbs n LYS 80 Cb 0.25 -4.48 -0.08 0.00 0.02 0.00 0.00 35.03 30.74 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 -2.24 1.91 0.02 5.64 0.08 -1.26 -5.11 117.98 117.02 2gbs s PHE 81 Ca 0.00 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 56.12 2gbs s PHE 81 Cb 0.00 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2gbs s PHE 81 CO 0.00 0.23 -0.06 0.14 -0.10 0.00 0.00 175.22 175.43 2gbs s VAL 82 N -2.88 0.40 0.15 -0.44 -7.23 -1.26 -3.27 120.40 105.87 2gbs s VAL 82 Ca 0.08 -0.74 0.08 0.00 -1.81 0.00 0.00 61.98 59.60 2gbs s VAL 82 Cb 0.02 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2gbs s VAL 82 CO 0.04 -0.23 -0.10 0.00 -0.31 0.00 0.00 175.10 174.50 2gbs s VAL 84 N -1.51 1.32 -0.30 0.00 -7.23 -1.17 -2.27 120.40 109.24 2gbs s VAL 84 Ca 0.23 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 58.86 2gbs s VAL 84 Cb -0.10 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 2gbs s VAL 84 CO 0.14 -0.16 0.44 -1.81 -0.31 0.00 0.00 175.10 173.40 2gbs s ASP 85 N -1.78 6.29 0.41 4.85 1.11 -1.26 -0.37 116.67 125.93 2gbs s ASP 85 Ca 0.01 0.17 0.08 0.00 0.18 0.00 0.00 52.55 52.99 2gbs s ASP 85 Cb -0.10 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 2gbs s ASP 85 CO 0.03 -0.31 0.31 0.27 1.18 0.00 0.00 175.17 176.65 2gbs s ILE 86 N 2.20 2.56 -0.18 0.77 -4.36 -0.01 -0.31 121.20 121.87 2gbs s ILE 86 Ca 0.17 -1.47 -0.22 0.00 -0.26 0.00 0.00 60.65 58.87 2gbs s ILE 86 Cb -0.16 -3.00 0.06 0.00 1.25 0.00 0.00 42.46 40.61 2gbs s ILE 86 CO 0.11 -0.01 0.60 -1.59 0.24 0.00 0.00 174.94 174.29 2gbs s LYS 87 N -4.05 0.76 -0.23 0.37 -2.85 -0.71 0.30 119.74 113.33 2gbs s LYS 87 Ca 0.46 0.67 -0.28 0.00 -1.00 0.00 0.00 55.97 55.82 2gbs s LYS 87 Cb -0.01 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2gbs s LYS 87 CO 0.26 -0.13 2.15 0.00 0.10 0.00 0.00 175.35 177.72 2gbs s ALA 88 N -0.05 2.77 -0.09 0.59 0.00 -1.26 -1.22 121.76 122.50 2gbs s ALA 88 Ca -0.03 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 2gbs s ALA 88 Cb -0.04 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.02 2gbs s ALA 88 CO 0.03 -2.74 -0.03 0.22 0.00 0.00 0.00 175.76 173.23 2gbs h ASP 89 N 14.61 0.00 -4.77 0.00 3.58 -1.12 -3.46 116.42 125.27 2gbs h ASP 89 Ca -0.40 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.95 2gbs h ASP 89 Cb 1.23 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.07 2gbs h ASP 89 CO 0.97 0.46 -0.13 -1.59 -2.88 0.00 0.00 179.24 176.07 2gbs s LYS 90 N -1.59 0.74 0.51 0.28 -2.85 -1.21 -5.03 119.74 110.59 2gbs s LYS 90 Ca -0.03 0.10 -0.11 0.00 -1.00 0.00 0.00 55.97 54.92 2gbs s LYS 90 Cb 0.00 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 36.06 2gbs s LYS 90 CO 0.04 -0.20 0.91 -1.25 0.10 0.00 0.00 175.35 174.95 2gbs s PRO 91 N -0.97 3.74 0.38 1.78 0.04 -1.26 -0.62 135.00 138.09 2gbs s PRO 91 Ca -0.10 0.64 -0.26 0.00 0.04 0.00 0.00 61.00 61.32 2gbs s PRO 91 Cb -0.03 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 2gbs s PRO 91 CO 0.05 -0.28 1.15 -0.51 0.04 0.00 0.00 177.00 177.45 2gbs s LEU 92 N -4.43 4.26 0.53 -3.56 1.43 0.74 -4.88 118.68 112.77 2gbs s LEU 92 Ca 0.54 2.32 0.31 0.00 -1.03 0.00 0.00 54.13 56.27 2gbs s LEU 92 Cb -0.10 -3.95 1.35 0.00 0.03 0.00 0.00 46.19 43.51 2gbs s LEU 92 CO 0.40 -0.56 1.99 0.50 0.23 0.00 0.00 176.35 178.91 2gbs h LYS 93 N 2.85 0.00 -3.40 1.70 3.64 -1.76 -3.38 116.57 116.23 2gbs h LYS 93 Ca -0.48 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.49 2gbs h LYS 93 Cb 1.23 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.66 2gbs h LYS 93 CO 0.63 0.08 -0.75 0.99 -2.27 0.00 0.00 179.45 178.13 2gbs s THR 94 N -3.79 0.06 0.17 1.00 2.01 0.42 -4.91 115.64 110.61 2gbs s THR 94 Ca -0.00 0.21 -0.33 0.00 0.31 0.00 0.00 61.69 61.88 2gbs s THR 94 Cb 0.10 -0.37 -0.13 0.00 0.01 0.00 0.00 72.50 72.12 2gbs s THR 94 CO 0.56 0.12 1.68 -2.65 -0.69 0.00 0.00 174.62 173.64 2gbs n PRO 95 N 5.24 2.49 -3.35 4.92 -0.02 -1.26 -4.38 135.00 138.64 2gbs n PRO 95 Ca -0.05 0.90 -0.46 0.00 -2.02 0.00 0.00 63.50 61.87 2gbs n PRO 95 Cb 0.50 -2.72 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 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 1.32 5.29 0.74 -1.45 1.01 -0.38 -4.91 120.40 122.02 2gbs s VAL 96 Ca 0.78 -2.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.63 2gbs s VAL 96 Cb -0.58 -4.33 0.04 0.00 0.00 0.00 0.00 36.38 31.50 2gbs s VAL 96 CO 0.36 -0.94 1.08 0.42 0.00 0.00 0.00 175.10 176.02 2gbs s THR 97 N 0.86 3.61 0.52 3.92 -4.23 -1.26 0.72 115.64 119.78 2gbs s THR 97 Ca 0.11 0.52 0.17 0.00 -1.18 0.00 0.00 61.69 61.31 2gbs s THR 97 Cb -0.20 -3.11 0.28 0.00 1.34 0.00 0.00 72.50 70.81 2gbs s THR 97 CO -0.03 -0.68 2.14 0.25 -0.54 0.00 0.00 174.62 175.75 2gbs h LEU 98 N -0.96 0.00 -1.17 4.79 5.85 -1.24 0.15 115.31 122.73 2gbs h LEU 98 Ca -0.44 0.00 -0.07 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 0.54 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 178.48 2gbs h ALA 99 N 1.98 1.31 0.01 1.25 0.00 -1.91 -1.39 119.26 120.50 2gbs h ALA 99 Ca 0.02 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 2gbs h ALA 99 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2gbs h ALA 99 CO -0.00 0.46 -0.91 0.00 0.00 0.00 0.00 179.25 178.80 2gbs h ALA 100 N 1.48 0.45 -0.87 0.00 0.00 -1.12 -3.00 119.26 116.21 2gbs h ALA 100 Ca 0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2gbs h ALA 100 Cb 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2gbs h ALA 100 CO 0.03 0.89 0.46 0.28 0.00 0.00 0.00 179.25 180.90 2gbs h VAL 101 N 0.15 1.26 0.00 0.00 2.07 -0.73 -1.48 116.25 117.53 2gbs h VAL 101 Ca -0.06 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2gbs h VAL 101 Cb 1.55 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2gbs h VAL 101 CO 0.15 0.30 0.00 0.29 0.02 0.00 0.00 177.57 178.32 2gbs n LYS 102 N -4.34 0.17 0.16 1.57 5.02 -0.56 -2.42 118.16 117.75 2gbs n LYS 102 Ca 0.09 0.13 0.04 0.00 -2.02 0.00 0.00 58.31 56.55 2gbs n LYS 102 Cb 0.11 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.71 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 2.82 0.75 -2.59 7.82 0.00 -1.12 -3.42 119.26 123.51 2gbs h ALA 103 Ca 0.00 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 53.83 2gbs h ALA 103 Cb 0.24 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 17.77 2gbs h ALA 103 CO 0.00 0.53 -0.41 -2.00 0.00 0.00 0.00 179.25 177.37 2gbs s GLU 104 N -3.06 3.28 0.59 0.00 2.56 -1.02 -4.95 118.70 116.10 2gbs s GLU 104 Ca 0.04 -0.76 0.30 0.00 0.00 0.00 0.00 54.97 54.55 2gbs s GLU 104 Cb 0.08 -3.88 1.85 0.00 2.00 0.00 0.00 34.13 34.17 2gbs s GLU 104 CO 0.73 -0.60 2.26 -1.35 -0.56 0.00 0.00 175.26 175.73 2gbs h PRO 105 N 8.56 0.00 -0.00 4.30 0.11 -1.85 -1.31 132.00 141.81 2gbs h PRO 105 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2gbs h PRO 105 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2gbs h PRO 105 CO 0.69 0.00 -0.07 -2.13 -0.21 0.00 0.00 178.00 176.28 2gbs n ARG 106 N -3.81 0.42 -0.21 1.05 0.63 -1.26 -2.93 116.66 110.55 2gbs n ARG 106 Ca -0.03 -0.08 0.06 0.00 -0.92 0.00 0.00 57.85 56.88 2gbs n ARG 106 Cb 0.08 -1.50 0.15 0.00 0.45 0.00 0.00 32.46 31.65 2gbs n ARG 106 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2gbs n LEU 107 N -1.22 2.98 -0.30 6.15 4.77 -0.50 -4.58 117.00 124.30 2gbs n LEU 107 Ca 0.13 -2.33 0.03 0.00 -0.03 0.00 0.00 56.01 53.81 2gbs n LEU 107 Cb 0.28 -0.29 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2gbs n LEU 107 CO 0.25 0.68 0.59 0.00 -1.33 0.00 0.00 177.39 177.58 2gbs n ALA 108 N -0.03 2.48 -0.09 -1.18 0.00 -1.15 -3.10 120.51 117.44 2gbs n ALA 108 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2gbs n ALA 108 Cb 0.53 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2gbs n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gbs n ASP 109 N -0.04 1.05 -4.72 0.00 -0.08 -1.26 -4.94 116.55 106.56 2gbs n ASP 109 Ca 0.07 -1.14 -0.35 0.00 -1.51 0.00 0.00 54.79 51.86 2gbs n ASP 109 Cb 0.15 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.70 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2gbs s MET 110 N -0.14 2.19 0.48 -0.67 1.75 -1.18 -4.87 119.30 116.86 2gbs s MET 110 Ca 0.00 1.89 0.14 0.00 -1.25 0.00 0.00 55.69 56.47 2gbs s MET 110 Cb 0.00 -1.83 1.13 0.00 2.84 0.00 0.00 34.83 36.97 2gbs s MET 110 CO 0.00 -1.82 2.07 0.00 -0.65 0.00 0.00 175.02 174.62 2gbs h ALA 111 N -0.08 1.99 -0.11 4.11 0.00 -1.93 0.32 119.26 123.56 2gbs h ALA 111 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 111 Cb 1.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2gbs h ALA 111 CO 0.50 -0.03 0.04 1.25 0.00 0.00 0.00 179.25 181.01 2gbs h LEU 112 N 0.23 0.13 0.00 0.00 5.85 -1.90 0.32 115.31 119.95 2gbs h LEU 112 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2gbs h LEU 112 Cb 0.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2gbs h LEU 112 CO -0.02 0.13 -0.17 0.80 -0.34 0.00 0.00 178.44 178.84 2gbs n MET 113 N -4.48 0.00 -0.03 1.25 1.56 0.08 -4.35 117.12 111.16 2gbs n MET 113 Ca -0.01 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.36 2gbs n MET 113 Cb 0.11 -1.50 -0.02 0.00 2.15 0.00 0.00 33.22 33.96 2gbs n MET 113 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2gbs n LYS 114 N -1.51 0.29 -3.56 2.12 5.02 -0.33 -4.99 118.16 115.20 2gbs n LYS 114 Ca 0.06 0.12 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 2gbs n LYS 114 Cb 0.34 -1.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.24 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2gbs s TYR 115 N -2.46 3.22 -0.05 2.13 2.02 0.99 -4.94 117.35 118.26 2gbs s TYR 115 Ca -0.16 -0.21 -0.21 0.00 -0.37 0.00 0.00 57.07 56.12 2gbs s TYR 115 Cb 0.03 -2.44 -0.31 0.00 -0.40 0.00 0.00 41.96 38.83 2gbs s TYR 115 CO 0.23 -0.34 0.86 0.66 -1.57 0.00 0.00 175.55 175.40 2gbs h SER 116 N 8.45 0.50 -0.42 2.29 4.64 -1.87 -3.37 113.55 123.77 2gbs h SER 116 Ca -0.32 -0.94 -0.10 0.00 -0.47 0.00 0.00 61.79 59.96 2gbs h SER 116 Cb 1.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2gbs h SER 116 CO 0.62 1.45 -0.11 0.03 -0.87 0.00 0.00 176.83 177.95 2gbs h ARG 117 N -0.31 0.82 -6.40 4.77 2.47 -1.99 -3.43 114.38 110.32 2gbs h ARG 117 Ca -0.17 -0.32 -0.54 0.00 -1.26 0.00 0.00 59.98 57.69 2gbs h ARG 117 Cb 1.71 -0.04 0.02 0.00 -1.65 0.00 0.00 29.97 30.00 2gbs h ARG 117 CO 0.15 0.95 1.06 -1.17 0.56 0.00 0.00 179.97 181.52 2gbs s LEU 118 N -9.23 4.37 -0.20 3.04 2.96 -1.26 -4.91 118.68 113.46 2gbs s LEU 118 Ca -0.12 2.48 -0.15 0.00 -0.22 0.00 0.00 54.13 56.11 2gbs s LEU 118 Cb 0.11 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.14 2gbs s LEU 118 CO 0.83 -0.93 -0.14 -0.24 -1.32 0.00 0.00 176.35 174.55 2gbs n SER 119 N 6.24 1.88 -4.52 3.68 2.88 -1.26 -4.85 113.62 117.67 2gbs n SER 119 Ca 0.17 0.45 -0.43 0.00 -1.33 0.00 0.00 58.87 57.73 2gbs n SER 119 Cb 0.41 -0.86 -0.05 0.00 -0.75 0.00 0.00 64.21 62.96 2gbs n SER 119 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2gbs s VAL 120 N -2.47 4.57 0.18 2.46 1.01 -1.26 -3.38 120.40 121.52 2gbs s VAL 120 Ca -0.27 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.08 2gbs s VAL 120 Cb 0.06 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2gbs s VAL 120 CO 0.42 -0.88 -0.20 0.00 0.00 0.00 0.00 175.10 174.44 2gbs s GLN 121 N 3.47 1.37 0.02 2.72 -2.07 -0.50 -4.74 119.66 119.93 2gbs s GLN 121 Ca 0.28 -1.46 -0.21 0.00 -1.82 0.00 0.00 55.36 52.16 2gbs s GLN 121 Cb -0.13 -1.53 -0.06 0.00 -1.09 0.00 0.00 33.01 30.20 2gbs s GLN 121 CO 0.20 0.32 0.62 -1.25 -1.32 0.00 0.00 175.29 173.86 2gbs s PRO 122 N -2.77 4.33 -0.05 9.60 0.05 -1.26 -0.55 135.00 144.35 2gbs s PRO 122 Ca 0.18 0.79 0.06 0.00 0.05 0.00 0.00 61.00 62.08 2gbs s PRO 122 Cb -0.07 -3.32 -0.01 0.00 0.05 0.00 0.00 34.50 31.15 2gbs s PRO 122 CO 0.08 0.42 -0.24 0.08 0.05 0.00 0.00 177.00 177.39 2gbs s VAL 123 N -0.38 1.94 0.60 -0.36 1.01 0.56 -4.77 120.40 118.99 2gbs s VAL 123 Ca 0.32 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.15 2gbs s VAL 123 Cb -0.19 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2gbs s VAL 123 CO 0.18 0.54 1.03 0.42 0.00 0.00 0.00 175.10 177.28 2gbs s THR 124 N -0.19 4.27 0.26 3.92 -4.23 -1.26 -3.83 115.64 114.58 2gbs s THR 124 Ca -0.02 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.40 2gbs s THR 124 Cb -0.13 -3.59 0.26 0.00 1.34 0.00 0.00 72.50 70.38 2gbs s THR 124 CO 0.03 -0.77 1.87 0.00 -0.54 0.00 0.00 174.62 175.20 2gbs h ALA 125 N 0.18 1.38 -0.39 3.99 0.00 -1.98 0.14 119.26 122.59 2gbs h ALA 125 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2gbs h ALA 125 Cb 1.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2gbs h ALA 125 CO 0.59 0.37 -0.01 0.93 0.00 0.00 0.00 179.25 181.14 2gbs h GLU 126 N 1.11 0.69 -0.22 0.00 5.08 -1.98 0.23 114.58 119.48 2gbs h GLU 126 Ca 0.43 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2gbs h GLU 126 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2gbs h GLU 126 CO -0.19 0.79 -0.01 0.93 -1.00 0.00 0.00 179.01 179.53 2gbs h GLU 127 N 0.51 0.40 -0.30 2.33 5.08 -1.83 -0.41 114.58 120.36 2gbs h GLU 127 Ca 0.11 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2gbs h GLU 127 Cb 0.48 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 2gbs h GLU 127 CO 0.02 0.60 -0.24 2.35 -1.00 0.00 0.00 179.01 180.74 2gbs h TRP 128 N 0.16 -0.62 -0.85 4.33 2.91 -0.60 -0.30 115.95 120.98 2gbs h TRP 128 Ca 0.06 0.04 0.07 0.00 1.13 0.00 0.00 58.89 60.19 2gbs h TRP 128 Cb 0.42 0.32 -0.06 0.00 -0.51 0.00 0.00 29.16 29.33 2gbs h TRP 128 CO 0.04 -0.31 0.52 0.87 -1.03 0.00 0.00 178.44 178.52 2gbs h LYS 129 N -0.21 0.90 -0.34 2.65 1.79 -0.38 0.18 116.57 121.15 2gbs h LYS 129 Ca 0.16 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2gbs h LYS 129 Cb 0.46 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2gbs h LYS 129 CO -0.43 0.60 -0.01 1.25 -1.08 0.00 0.00 179.45 179.78 2gbs h LEU 130 N 0.93 0.60 -0.42 2.94 5.85 -0.24 0.37 115.31 125.34 2gbs h LEU 130 Ca 0.38 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 2gbs h LEU 130 Cb 0.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2gbs h LEU 130 CO -0.18 0.78 -0.12 0.58 -0.34 0.00 0.00 178.44 179.15 2gbs h VAL 131 N 0.41 1.28 -0.62 1.05 2.07 -0.74 -0.11 116.25 119.59 2gbs h VAL 131 Ca 0.09 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2gbs h VAL 131 Cb 0.48 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2gbs h VAL 131 CO 0.02 0.42 0.27 0.00 0.02 0.00 0.00 177.57 178.30 2gbs h LYS 133 N 0.86 0.43 -0.63 0.00 3.64 -0.84 -2.11 116.57 117.92 2gbs h LYS 133 Ca 0.21 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2gbs h LYS 133 Cb 0.16 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2gbs h LYS 133 CO -0.02 0.72 0.30 1.98 -2.27 0.00 0.00 179.45 180.15 2gbs h MET 134 N 0.37 0.88 -1.00 1.90 4.05 -0.24 -2.54 114.93 118.36 2gbs h MET 134 Ca 0.04 -0.11 -0.15 0.00 -0.28 0.00 0.00 59.70 59.20 2gbs h MET 134 Cb 0.77 -0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 31.31 2gbs h MET 134 CO 0.06 0.69 0.19 0.41 0.23 0.00 0.00 176.91 178.49 2gbs n GLY 135 N -1.14 2.73 2.36 1.39 0.00 -0.17 -4.83 105.19 105.54 2gbs n GLY 135 Ca 0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 0.01 0.39 0.12 -0.02 0.00 -0.95 -0.43 105.19 104.30 2gbs n GLY 136 Ca 0.18 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2gbs n GLY 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gbs h LEU 137 N 0.00 0.43 -8.71 0.99 5.85 -1.53 -3.43 115.31 108.91 2gbs h LEU 137 Ca -0.36 -0.88 -0.60 0.00 0.84 0.00 0.00 57.88 56.88 2gbs h LEU 137 Cb 1.19 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.97 2gbs h LEU 137 CO 0.46 1.59 0.52 -0.76 -0.34 0.00 0.00 178.44 179.91 2gbs s LEU 138 N -7.60 4.06 -0.03 2.25 1.02 -1.26 -4.98 118.68 112.14 2gbs s LEU 138 Ca -0.18 0.19 -0.30 0.00 0.02 0.00 0.00 54.13 53.87 2gbs s LEU 138 Cb 0.04 -3.15 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 2gbs s LEU 138 CO 0.79 -0.96 1.02 -1.61 0.02 0.00 0.00 176.35 175.61 2gbs s GLU 139 N 3.55 4.50 -0.00 1.70 2.02 -1.26 -4.85 118.70 124.36 2gbs s GLU 139 Ca 0.35 1.46 0.02 0.00 0.02 0.00 0.00 54.97 56.82 2gbs s GLU 139 Cb -0.11 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2gbs s GLU 139 CO 0.23 -0.17 0.05 1.58 0.02 0.00 0.00 175.26 176.98 2gbs n HIS 140 N 4.29 0.00 -1.89 1.61 -0.00 -1.26 -4.98 115.22 113.00 2gbs n HIS 140 Ca 0.07 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.84 2gbs n HIS 140 Cb 0.50 -0.04 -0.03 0.00 -0.12 0.00 0.00 29.99 30.30 2gbs n HIS 140 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2gbs s HIS 141 N -1.93 1.58 -0.59 1.57 5.65 -1.26 -4.92 115.29 115.38 2gbs s HIS 141 Ca -0.00 0.77 -0.27 0.00 0.25 0.00 0.00 55.06 55.81 2gbs s HIS 141 Cb 0.01 -4.01 0.03 0.00 -1.18 0.00 0.00 32.58 27.43 2gbs s HIS 141 CO 0.08 -2.94 1.15 -1.01 -0.65 0.00 0.00 174.74 171.37 2gbs s HIS 142 N 8.29 2.61 -0.13 3.88 0.09 -1.26 -4.84 115.29 123.93 2gbs s HIS 142 Ca 0.83 0.27 -0.07 0.00 -0.00 0.00 0.00 55.06 56.08 2gbs s HIS 142 Cb -0.21 -4.44 -0.03 0.00 -0.00 0.00 0.00 32.58 27.90 2gbs s HIS 142 CO 0.30 -1.60 -0.10 1.25 -0.00 0.00 0.00 174.74 174.59 2gbs h HIS 143 N 9.55 0.00 0.00 1.40 6.17 -2.02 -3.44 115.15 126.81 2gbs h HIS 143 Ca -0.26 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 60.75 2gbs h HIS 143 Cb 1.06 0.00 -0.11 0.00 2.52 0.00 0.00 27.41 30.88 2gbs h HIS 143 CO 1.02 0.06 -0.39 1.58 0.71 0.00 0.00 177.93 180.91 2gbs n HIS 144 N -4.66 0.00 -1.43 5.26 -0.00 -1.26 -5.32 115.22 107.81 2gbs n HIS 144 Ca -0.06 -0.24 0.00 0.00 -0.00 0.00 0.00 57.72 57.42 2gbs n HIS 144 Cb 0.20 0.18 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2gbs n HIS 144 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95