#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 2.61 -0.11 2.33 0.00 -1.26 -4.71 121.76 120.61 2gbs s ALA 2 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2gbs s ALA 2 Cb 0.00 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 2gbs s ALA 2 CO 0.00 -1.46 -0.12 0.71 0.00 0.00 0.00 175.76 174.89 2gbs s TYR 3 N -3.34 2.82 0.32 0.00 2.02 -1.26 -0.71 117.35 117.21 2gbs s TYR 3 Ca 0.60 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.92 2gbs s TYR 3 Cb -0.12 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2gbs s TYR 3 CO 0.52 -0.04 0.16 0.91 -1.57 0.00 0.00 175.55 175.52 2gbs n TRP 4 N 3.11 -0.13 -3.72 2.71 7.02 0.21 -0.42 117.44 126.21 2gbs n TRP 4 Ca -0.18 -2.22 -0.13 0.00 -1.02 0.00 0.00 57.50 53.95 2gbs n TRP 4 Cb 0.53 0.07 -0.14 0.00 -2.42 0.00 0.00 31.31 29.35 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 0.90 -0.66 118.68 118.57 2gbs s LEU 5 Ca 0.22 0.44 0.07 0.00 0.69 0.00 0.00 54.13 55.55 2gbs s LEU 5 Cb 0.01 0.57 -0.03 0.00 -0.43 0.00 0.00 46.19 46.32 2gbs s LEU 5 CO 0.16 -0.17 -0.21 0.68 -0.29 0.00 0.00 176.35 176.52 2gbs s VAL 6 N 1.40 2.55 -0.20 1.68 -7.23 0.04 -1.47 120.40 117.17 2gbs s VAL 6 Ca -0.08 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 58.90 2gbs s VAL 6 Cb -0.11 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2gbs s VAL 6 CO -0.07 0.45 0.09 -0.54 -0.31 0.00 0.00 175.10 174.72 2gbs s LYS 7 N -1.06 4.05 -0.03 4.82 1.02 -0.72 -1.56 119.74 126.25 2gbs s LYS 7 Ca 0.12 -0.30 0.01 0.00 0.02 0.00 0.00 55.97 55.82 2gbs s LYS 7 Cb -0.10 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2gbs s LYS 7 CO 0.02 0.25 -0.04 0.45 -0.92 0.00 0.00 175.35 175.11 2gbs s SER 8 N 0.46 0.80 -0.13 2.83 0.15 0.43 -4.94 113.70 113.31 2gbs s SER 8 Ca 0.05 -0.11 -0.23 0.00 0.70 0.00 0.00 55.95 56.37 2gbs s SER 8 Cb -0.12 -0.34 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 2gbs s SER 8 CO -0.00 -0.03 0.68 -0.70 1.20 0.00 0.00 173.24 174.39 2gbs s GLU 9 N 0.71 4.34 0.00 5.44 2.12 -1.26 -1.87 118.70 128.18 2gbs s GLU 9 Ca -0.09 0.79 0.11 0.00 0.36 0.00 0.00 54.97 56.15 2gbs s GLU 9 Cb -0.12 -3.50 0.52 0.00 0.26 0.00 0.00 34.13 31.28 2gbs s GLU 9 CO -0.00 -0.08 1.34 -0.35 -0.54 0.00 0.00 175.26 175.63 2gbs n PRO 10 N 4.37 0.05 0.10 4.30 -0.04 -1.24 -1.05 135.00 141.48 2gbs n PRO 10 Ca -0.01 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2gbs n PRO 10 Cb 0.50 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.84 2gbs n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gbs n SER 11 N -1.44 0.79 -0.04 3.54 7.64 -1.26 -4.26 113.62 118.60 2gbs n SER 11 Ca 0.04 0.52 -0.09 0.00 1.01 0.00 0.00 58.87 60.34 2gbs n SER 11 Cb 0.12 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 2gbs n SER 11 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbs n VAL 12 N -2.23 0.61 -4.16 0.44 0.31 -0.22 -5.05 118.33 108.02 2gbs n VAL 12 Ca 0.05 -0.07 -0.18 0.00 -0.01 0.00 0.00 64.34 64.13 2gbs n VAL 12 Cb 0.43 -1.65 -0.16 0.00 -0.91 0.00 0.00 33.84 31.55 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 -2.18 0.63 0.50 3.52 -0.11 -0.22 -5.08 118.94 116.00 2gbs s TRP 13 Ca -0.12 -0.14 0.08 0.00 1.22 0.00 0.00 56.10 57.13 2gbs s TRP 13 Cb 0.04 -0.52 0.03 0.00 -1.50 0.00 0.00 33.47 31.53 2gbs s TRP 13 CO 0.16 -0.11 0.53 -1.54 -4.62 0.00 0.00 176.95 171.36 2gbs s SER 14 N 0.52 5.00 -0.13 5.86 1.04 -1.26 -3.68 113.70 121.05 2gbs s SER 14 Ca -0.06 -0.89 -0.26 0.00 0.48 0.00 0.00 55.95 55.21 2gbs s SER 14 Cb -0.10 -0.03 -0.23 0.00 0.10 0.00 0.00 66.02 65.76 2gbs s SER 14 CO -0.00 -1.00 0.74 -0.25 0.98 0.00 0.00 173.24 173.71 2gbs h TRP 15 N 0.65 -0.01 -0.98 5.02 2.91 -1.99 -3.29 115.95 118.26 2gbs h TRP 15 Ca -0.36 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 59.80 2gbs h TRP 15 Cb 1.29 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 29.85 2gbs h TRP 15 CO 0.62 0.86 0.62 -0.44 -1.03 0.00 0.00 178.44 179.07 2gbs h ASP 16 N -0.96 0.82 0.43 2.65 5.19 -1.99 0.21 116.42 122.77 2gbs h ASP 16 Ca -0.00 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 2gbs h ASP 16 Cb 0.87 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2gbs h ASP 16 CO 0.00 0.39 -0.19 -0.61 -3.12 0.00 0.00 179.24 175.71 2gbs h GLN 17 N 0.85 0.00 0.08 3.56 4.15 -1.99 -1.22 115.11 120.55 2gbs h GLN 17 Ca 0.51 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.64 2gbs h GLN 17 Cb 0.67 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 2gbs h GLN 17 CO -0.28 0.19 -1.52 0.37 -1.93 0.00 0.00 178.83 175.65 2gbs h GLN 18 N 0.00 0.17 -0.98 1.69 -0.00 -1.07 -3.25 115.11 111.67 2gbs h GLN 18 Ca -0.00 -0.29 0.02 0.00 -0.00 0.00 0.00 58.65 58.38 2gbs h GLN 18 Cb 0.45 0.11 -0.05 0.00 0.00 0.00 0.00 27.48 27.99 2gbs h GLN 18 CO 0.02 0.99 0.65 0.28 0.00 0.00 0.00 178.83 180.77 2gbs h VAL 19 N 0.05 1.21 -0.69 2.39 2.07 -0.51 -0.46 116.25 120.31 2gbs h VAL 19 Ca -0.23 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2gbs h VAL 19 Cb 1.98 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2gbs h VAL 19 CO 0.14 0.23 0.45 0.00 0.02 0.00 0.00 177.57 178.42 2gbs h ALA 20 N 1.41 1.56 -0.90 1.67 0.00 -1.33 -1.19 119.26 120.48 2gbs h ALA 20 Ca 0.37 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.78 2gbs h ALA 20 Cb -0.08 -0.26 -0.28 0.00 0.00 0.00 0.00 17.79 17.18 2gbs h ALA 20 CO -0.10 0.39 0.59 1.63 0.00 0.00 0.00 179.25 181.76 2gbs n LYS 21 N -4.45 2.15 0.22 0.00 5.02 -0.28 -4.59 118.16 116.24 2gbs n LYS 21 Ca 0.08 -2.72 0.15 0.00 -2.02 0.00 0.00 58.31 53.80 2gbs n LYS 21 Cb 0.08 -2.07 0.77 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.32 0.00 0.43 0.72 0.00 -0.20 0.64 103.07 105.97 2gbs h GLY 22 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2gbs h GLY 22 CO 1.00 0.00 -1.19 0.00 0.00 0.00 0.00 176.54 176.35 2gbs n ALA 23 N -1.88 3.45 -0.07 3.60 0.00 -1.26 -4.50 120.51 119.85 2gbs n ALA 23 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 2gbs n ALA 23 Cb 0.08 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.87 1.70 0.00 0.00 0.00 0.21 -5.12 120.51 115.43 2gbs n ALA 24 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2gbs n ALA 24 Cb 0.45 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 2.70 -1.70 3.14 0.00 0.00 0.20 -4.93 105.19 104.59 2gbs n GLY 25 Ca -0.23 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 0.44 -0.21 1.61 2.56 0.11 -4.91 118.70 118.30 2gbs s GLU 26 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.97 54.76 2gbs s GLU 26 Cb 0.00 0.19 -0.04 0.00 2.00 0.00 0.00 34.13 36.28 2gbs s GLU 26 CO 0.00 -0.10 0.37 0.00 -0.56 0.00 0.00 175.26 174.98 2gbs s ALA 27 N -0.75 3.56 -1.45 6.30 0.00 -1.26 -1.31 121.76 126.84 2gbs s ALA 27 Ca -0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 2gbs s ALA 27 Cb -0.05 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 20.51 2gbs s ALA 27 CO 0.02 -0.30 2.41 1.87 0.00 0.00 0.00 175.76 179.75 2gbs n TRP 28 N 4.48 2.91 -3.14 0.00 -0.00 -0.03 -4.95 117.44 116.72 2gbs n TRP 28 Ca -0.09 -2.95 -0.26 0.00 -0.00 0.00 0.00 57.50 54.20 2gbs n TRP 28 Cb 0.51 -2.29 -0.01 0.00 -0.00 0.00 0.00 31.31 29.52 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 1.55 5.02 0.00 5.87 -4.23 -1.26 -4.33 115.64 118.27 2gbs s THR 29 Ca 0.54 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 2gbs s THR 29 Cb 0.15 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2gbs s THR 29 CO -0.06 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2gbs n GLY 30 N -1.75 2.46 3.67 3.99 0.00 -1.26 -4.98 105.19 107.32 2gbs n GLY 30 Ca -0.02 -0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.13 0.12 1.61 0.24 -1.26 -4.88 118.33 114.29 2gbs n VAL 31 Ca 0.00 -0.02 0.03 0.00 -2.04 0.00 0.00 64.34 62.30 2gbs n VAL 31 Cb 0.00 -1.62 0.04 0.00 -1.47 0.00 0.00 33.84 30.79 2gbs n VAL 31 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2gbs n ARG 32 N 4.14 0.77 -2.11 7.34 1.85 -1.26 -4.95 116.66 122.44 2gbs n ARG 32 Ca 0.18 -1.12 -0.43 0.00 -1.00 0.00 0.00 57.85 55.48 2gbs n ARG 32 Cb 0.29 -1.11 -0.03 0.00 -1.05 0.00 0.00 32.46 30.57 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 -0.62 6.24 0.15 2.89 -0.87 -1.26 -4.88 114.94 116.59 2gbs s ASN 33 Ca 0.08 1.44 -0.08 0.00 -1.57 0.00 0.00 52.86 52.73 2gbs s ASN 33 Cb 0.05 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.72 2gbs s ASN 33 CO 0.07 -1.40 1.41 -0.74 -2.57 0.00 0.00 177.10 173.87 2gbs h HIS 34 N 11.31 0.89 -0.03 2.20 2.76 -1.98 -0.47 115.15 129.83 2gbs h HIS 34 Ca -0.33 -0.35 -0.00 0.00 -2.20 0.00 0.00 60.37 57.49 2gbs h HIS 34 Cb 1.15 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.96 2gbs h HIS 34 CO 0.93 1.14 0.01 1.03 -1.30 0.00 0.00 177.93 179.74 2gbs h SER 35 N 0.50 0.05 0.05 3.26 0.87 -1.99 0.16 113.55 116.45 2gbs h SER 35 Ca -0.01 -0.20 -0.11 0.00 -1.23 0.00 0.00 61.79 60.24 2gbs h SER 35 Cb 1.23 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2gbs h SER 35 CO 0.13 0.23 -0.34 0.00 -0.53 0.00 0.00 176.83 176.32 2gbs h ALA 36 N 0.82 1.05 -0.36 6.23 0.00 -1.80 -1.53 119.26 123.67 2gbs h ALA 36 Ca 0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 36 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2gbs h ALA 36 CO -0.00 0.59 -0.28 -0.22 0.00 0.00 0.00 179.25 179.34 2gbs h LYS 37 N 0.36 0.76 0.00 0.00 3.64 -0.86 -1.78 116.57 118.69 2gbs h LYS 37 Ca 0.04 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 2gbs h LYS 37 Cb 0.77 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2gbs h LYS 37 CO 0.06 0.95 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.80 2gbs h LEU 38 N 0.65 0.00 -1.19 5.20 3.38 -0.71 -1.96 115.31 120.69 2gbs h LEU 38 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2gbs h LEU 38 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2gbs h LEU 38 CO 0.07 0.32 -0.39 0.45 0.09 0.00 0.00 178.44 178.97 2gbs h HIS 39 N 0.00 0.03 0.00 1.13 3.86 -0.49 -2.27 115.15 117.40 2gbs h HIS 39 Ca -0.00 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 2gbs h HIS 39 Cb 0.76 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2gbs h HIS 39 CO 0.00 0.42 -0.71 0.52 0.86 0.00 0.00 177.93 179.01 2gbs h MET 40 N 0.03 0.00 -0.25 2.45 2.86 -0.63 -2.94 114.93 116.45 2gbs h MET 40 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2gbs h MET 40 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2gbs h MET 40 CO 0.05 0.71 -0.09 0.28 1.06 0.00 0.00 176.91 178.93 2gbs h VAL 41 N 0.00 1.20 0.00 -2.22 2.07 -0.88 -2.28 116.25 114.14 2gbs h VAL 41 Ca -0.01 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 2gbs h VAL 41 Cb 1.38 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2gbs h VAL 41 CO 0.09 0.28 -0.28 0.00 0.02 0.00 0.00 177.57 177.68 2gbs h ALA 42 N 1.54 0.96 -2.45 1.67 0.00 -1.26 -3.44 119.26 116.28 2gbs h ALA 42 Ca 0.08 -0.26 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 2gbs h ALA 42 Cb 0.39 -0.05 0.13 0.00 0.00 0.00 0.00 17.79 18.27 2gbs h ALA 42 CO 0.02 0.35 0.35 -1.64 0.00 0.00 0.00 179.25 178.33 2gbs s MET 43 N -3.52 2.35 0.05 0.00 -1.94 -0.86 -5.07 119.30 110.31 2gbs s MET 43 Ca 0.01 1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 55.41 2gbs s MET 43 Cb 0.10 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 2gbs s MET 43 CO 0.66 -1.61 -0.02 -0.98 -0.01 0.00 0.00 175.02 173.07 2gbs s ARG 44 N -4.31 0.58 -0.02 2.03 3.03 -1.26 -4.67 118.95 114.32 2gbs s ARG 44 Ca 0.67 -1.12 -0.31 0.00 2.03 0.00 0.00 55.73 57.00 2gbs s ARG 44 Cb -0.22 0.20 -0.09 0.00 -1.03 0.00 0.00 34.95 33.82 2gbs s ARG 44 CO 0.47 -0.11 1.99 -2.13 -1.13 0.00 0.00 175.30 174.40 2gbs n ARG 45 N 0.31 2.60 0.00 3.89 0.63 -1.26 -1.12 116.66 121.71 2gbs n ARG 45 Ca -0.15 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 2gbs n ARG 45 Cb 0.60 -2.96 0.00 0.00 0.45 0.00 0.00 32.46 30.56 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 4.70 1.74 3.79 5.14 0.00 0.04 -4.75 105.19 115.85 2gbs n GLY 46 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.97 6.03 -0.02 1.61 1.11 -0.27 -3.65 116.67 119.49 2gbs s ASP 47 Ca 0.00 1.95 0.04 0.00 0.18 0.00 0.00 52.55 54.72 2gbs s ASP 47 Cb 0.00 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 2gbs s ASP 47 CO 0.00 -1.00 -0.13 -0.13 1.18 0.00 0.00 175.17 175.09 2gbs s ARG 48 N -3.50 1.15 0.20 8.23 0.52 0.12 -0.18 118.95 125.48 2gbs s ARG 48 Ca 0.67 -0.44 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 2gbs s ARG 48 Cb -0.18 -1.07 -0.05 0.00 0.52 0.00 0.00 34.95 34.17 2gbs s ARG 48 CO 0.27 0.23 -0.11 0.00 0.02 0.00 0.00 175.30 175.70 2gbs s ALA 49 N -0.11 1.86 -0.04 2.13 0.00 0.74 -0.62 121.76 125.72 2gbs s ALA 49 Ca 0.01 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.13 2gbs s ALA 49 Cb -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2gbs s ALA 49 CO 0.00 -0.03 0.56 -0.06 0.00 0.00 0.00 175.76 176.24 2gbs s PHE 50 N -3.13 3.64 -0.62 0.00 0.08 0.17 -0.31 117.98 117.81 2gbs s PHE 50 Ca 0.22 1.11 -0.21 0.00 0.12 0.00 0.00 56.93 58.18 2gbs s PHE 50 Cb 0.01 -2.59 0.09 0.00 -0.57 0.00 0.00 43.02 39.96 2gbs s PHE 50 CO 0.06 0.31 0.83 -0.47 -0.10 0.00 0.00 175.22 175.85 2gbs s TYR 51 N 0.01 2.84 -0.14 0.36 5.04 0.15 -0.78 117.35 124.82 2gbs s TYR 51 Ca 0.30 -0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 54.15 2gbs s TYR 51 Cb -0.17 -4.15 -0.02 0.00 0.35 0.00 0.00 41.96 37.97 2gbs s TYR 51 CO 0.15 -1.47 -0.07 -0.47 -1.34 0.00 0.00 175.55 172.35 2gbs s TYR 52 N 3.36 2.94 0.11 4.97 5.04 -0.60 -1.93 117.35 131.24 2gbs s TYR 52 Ca 0.17 -0.42 -0.25 0.00 -2.44 0.00 0.00 57.07 54.12 2gbs s TYR 52 Cb -0.21 -1.91 -0.07 0.00 0.35 0.00 0.00 41.96 40.12 2gbs s TYR 52 CO 0.08 -0.10 0.76 -1.01 -1.34 0.00 0.00 175.55 173.94 2gbs s HIS 53 N 0.34 3.83 0.37 4.97 3.76 0.32 -0.43 115.29 128.46 2gbs s HIS 53 Ca -0.07 1.54 0.08 0.00 -0.15 0.00 0.00 55.06 56.46 2gbs s HIS 53 Cb -0.15 -2.78 -0.05 0.00 1.11 0.00 0.00 32.58 30.71 2gbs s HIS 53 CO 0.04 0.41 0.10 -1.12 -0.85 0.00 0.00 174.74 173.32 2gbs s SER 54 N -0.65 4.34 0.00 1.40 0.01 -0.78 -2.55 113.70 115.47 2gbs s SER 54 Ca 0.37 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2gbs s SER 54 Cb -0.22 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2gbs s SER 54 CO 0.24 -0.39 0.00 -3.20 0.41 0.00 0.00 173.24 170.31 2gbs n ASN 55 N -1.10 0.00 -4.58 2.44 5.15 -1.26 -4.29 115.26 111.61 2gbs n ASN 55 Ca -0.03 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.63 2gbs n ASN 55 Cb 0.63 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.78 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 2.51 0.00 1.20 2.12 -1.26 -4.67 118.70 118.60 2gbs s GLU 56 Ca 0.00 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2gbs s GLU 56 Cb 0.00 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.92 2gbs s GLU 56 CO 0.00 0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 2gbs n GLY 57 N 1.58 2.09 3.76 -1.50 0.00 -1.26 -4.59 105.19 105.26 2gbs n GLY 57 Ca -0.16 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 -5.81 -4.08 1.61 5.02 -1.06 -4.70 118.16 109.15 2gbs n LYS 58 Ca 0.00 0.66 -0.08 0.00 -2.02 0.00 0.00 58.31 56.87 2gbs n LYS 58 Cb 0.00 -5.48 -0.10 0.00 -0.02 0.00 0.00 35.03 29.43 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 -6.26 0.59 -0.31 1.97 1.03 -1.19 0.49 118.70 115.02 2gbs s GLU 59 Ca 0.38 -1.09 -0.15 0.00 0.03 0.00 0.00 54.97 54.14 2gbs s GLU 59 Cb -0.18 0.08 -0.02 0.00 -0.80 0.00 0.00 34.13 33.20 2gbs s GLU 59 CO 0.80 -0.07 0.39 0.42 -1.33 0.00 0.00 175.26 175.47 2gbs s ILE 60 N -3.21 5.15 -0.05 1.83 1.01 0.53 -0.52 121.20 125.94 2gbs s ILE 60 Ca 0.02 0.33 0.15 0.00 0.00 0.00 0.00 60.65 61.15 2gbs s ILE 60 Cb 0.03 -3.78 -0.22 0.00 0.01 0.00 0.00 42.46 38.49 2gbs s ILE 60 CO -0.07 0.00 0.26 1.33 0.00 0.00 0.00 174.94 176.47 2gbs n VAL 61 N 5.21 0.24 -3.83 2.92 0.24 -0.81 -1.49 118.33 120.81 2gbs n VAL 61 Ca -0.08 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 2gbs n VAL 61 Cb 0.50 -0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.84 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 -4.00 0.21 -0.17 7.63 0.00 -1.25 -0.61 107.32 109.12 2gbs s GLY 62 Ca -0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2gbs s GLY 62 CO 0.62 0.28 -0.12 -0.42 0.00 0.00 0.00 173.10 173.46 2gbs s ILE 63 N -2.59 2.90 0.23 0.90 1.01 0.86 -0.67 121.20 123.83 2gbs s ILE 63 Ca 0.16 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.18 2gbs s ILE 63 Cb -0.04 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2gbs s ILE 63 CO 0.09 0.50 0.25 0.00 0.00 0.00 0.00 174.94 175.78 2gbs s ALA 64 N 0.89 3.73 -0.04 9.38 0.00 0.58 -1.45 121.76 134.86 2gbs s ALA 64 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.68 2gbs s ALA 64 Cb -0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 2gbs s ALA 64 CO -0.00 0.31 -0.16 -2.00 0.00 0.00 0.00 175.76 173.91 2gbs s GLU 65 N -3.72 1.56 -0.30 0.00 2.12 0.56 -0.19 118.70 118.72 2gbs s GLU 65 Ca 0.33 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 2gbs s GLU 65 Cb -0.09 -1.39 -0.00 0.00 0.26 0.00 0.00 34.13 32.91 2gbs s GLU 65 CO 0.26 0.24 1.38 0.42 -0.54 0.00 0.00 175.26 177.02 2gbs s ILE 66 N 0.00 4.02 -1.39 -3.70 -1.09 0.75 -1.14 121.20 118.65 2gbs s ILE 66 Ca -0.02 1.14 0.11 0.00 -2.23 0.00 0.00 60.65 59.65 2gbs s ILE 66 Cb -0.10 -4.08 0.11 0.00 -1.58 0.00 0.00 42.46 36.81 2gbs s ILE 66 CO 0.01 -0.48 0.90 2.30 -1.23 0.00 0.00 174.94 176.44 2gbs n ILE 67 N 6.37 0.09 -3.71 2.92 -5.35 0.15 -0.78 119.36 119.06 2gbs n ILE 67 Ca 0.16 -0.55 -0.11 0.00 -0.27 0.00 0.00 62.75 61.98 2gbs n ILE 67 Cb 0.47 1.17 -0.11 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.96 0.41 0.90 6.28 6.06 -1.03 -4.88 118.95 125.73 2gbs s ARG 68 Ca 0.14 0.72 -0.15 0.00 -2.50 0.00 0.00 55.73 53.94 2gbs s ARG 68 Cb 0.10 0.04 0.21 0.00 0.06 0.00 0.00 34.95 35.35 2gbs s ARG 68 CO 0.14 -0.13 1.22 0.39 -2.50 0.00 0.00 175.30 174.42 2gbs n GLU 69 N 3.90 -1.21 -2.11 5.12 4.71 -1.26 -3.27 120.64 126.52 2gbs n GLU 69 Ca -0.21 -1.88 -0.42 0.00 -0.01 0.00 0.00 57.16 54.64 2gbs n GLU 69 Cb 0.56 -1.26 -0.03 0.00 -1.01 0.00 0.00 31.44 29.70 2gbs n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gbs s ALA 70 N -3.96 2.79 0.39 0.62 0.00 -1.26 -4.51 121.76 115.83 2gbs s ALA 70 Ca 0.69 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2gbs s ALA 70 Cb -0.02 -4.05 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 2gbs s ALA 70 CO 0.48 -2.80 0.04 1.52 0.00 0.00 0.00 175.76 175.01 2gbs s TYR 71 N 6.86 2.53 -0.16 0.00 1.13 -0.77 -4.87 117.35 122.07 2gbs s TYR 71 Ca 0.72 -0.59 -0.36 0.00 -1.41 0.00 0.00 57.07 55.42 2gbs s TYR 71 Cb -0.18 -1.73 -0.13 0.00 -1.10 0.00 0.00 41.96 38.82 2gbs s TYR 71 CO 0.31 0.41 1.83 -0.35 -2.51 0.00 0.00 175.55 175.23 2gbs n PRO 72 N -1.01 1.79 -1.69 -3.49 -0.04 -1.26 -0.11 135.00 129.20 2gbs n PRO 72 Ca -0.04 0.66 -0.42 0.00 -0.04 0.00 0.00 63.50 63.66 2gbs n PRO 72 Cb 0.65 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 2gbs n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2gbs s ASP 73 N 3.86 6.25 0.00 3.54 -1.08 0.15 -4.62 116.67 124.77 2gbs s ASP 73 Ca 0.95 2.46 0.05 0.00 -0.52 0.00 0.00 52.55 55.50 2gbs s ASP 73 Cb -0.83 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 38.33 2gbs s ASP 73 CO 0.57 -1.24 1.16 -2.65 0.52 0.00 0.00 175.17 173.53 2gbs n PRO 74 N 7.78 0.00 0.04 4.34 -0.02 -1.26 -1.26 135.00 144.61 2gbs n PRO 74 Ca 0.22 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 2gbs n PRO 74 Cb 0.42 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.62 2gbs n PRO 74 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2gbs n THR 75 N -1.49 0.21 -3.86 3.45 -1.04 -1.26 -4.88 114.28 105.41 2gbs n THR 75 Ca 0.01 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 2gbs n THR 75 Cb 0.06 -0.01 -0.04 0.00 -1.82 0.00 0.00 70.33 68.52 2gbs n THR 75 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2gbs s ASP 76 N -3.72 6.39 0.00 8.00 2.15 -0.39 -5.00 116.67 124.10 2gbs s ASP 76 Ca 0.08 0.35 0.26 0.00 0.43 0.00 0.00 52.55 53.67 2gbs s ASP 76 Cb 0.15 -1.99 0.66 0.00 -0.30 0.00 0.00 42.92 41.44 2gbs s ASP 76 CO 0.70 0.15 1.52 0.00 -0.17 0.00 0.00 175.17 177.37 2gbs n ALA 77 N 0.27 3.31 -0.02 3.66 0.00 -1.26 -3.91 120.51 122.56 2gbs n ALA 77 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2gbs n ALA 77 Cb 0.51 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2gbs n ALA 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gbs n SER 78 N -1.38 0.66 -1.48 0.00 3.41 -1.26 -4.98 113.62 108.58 2gbs n SER 78 Ca 0.07 -0.84 -0.14 0.00 -0.26 0.00 0.00 58.87 57.70 2gbs n SER 78 Cb 0.33 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gbs n GLY 79 N 0.31 0.32 0.15 5.00 0.00 -1.25 -4.91 105.19 104.80 2gbs n GLY 79 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.47 -7.21 1.61 3.64 -1.89 -3.42 116.57 109.76 2gbs h LYS 80 Ca -0.33 -0.61 -0.48 0.00 -1.27 0.00 0.00 60.65 57.96 2gbs h LYS 80 Cb 1.16 0.20 0.04 0.00 -0.41 0.00 0.00 32.23 33.22 2gbs h LYS 80 CO 0.41 1.25 0.38 -0.06 -2.27 0.00 0.00 179.45 179.16 2gbs s PHE 81 N -2.93 3.25 0.04 1.91 0.08 -1.26 -4.93 117.98 114.14 2gbs s PHE 81 Ca -0.12 1.47 0.07 0.00 0.12 0.00 0.00 56.93 58.47 2gbs s PHE 81 Cb 0.04 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.57 2gbs s PHE 81 CO 0.87 -0.75 -0.17 0.14 -0.10 0.00 0.00 175.22 175.21 2gbs s VAL 82 N -2.61 2.89 0.11 -0.44 -7.23 -1.26 0.29 120.40 112.15 2gbs s VAL 82 Ca 0.61 -1.14 0.09 0.00 -1.81 0.00 0.00 61.98 59.72 2gbs s VAL 82 Cb -0.13 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2gbs s VAL 82 CO 0.36 0.34 -0.22 0.00 -0.31 0.00 0.00 175.10 175.28 2gbs s VAL 84 N -1.18 1.65 -0.12 0.00 -7.23 -1.26 -1.85 120.40 110.40 2gbs s VAL 84 Ca 0.08 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 2gbs s VAL 84 Cb -0.10 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 2gbs s VAL 84 CO 0.05 -0.55 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.29 2gbs s ASP 85 N -3.32 3.56 0.06 4.85 1.11 -1.20 -0.85 116.67 120.87 2gbs s ASP 85 Ca 0.23 -0.45 0.08 0.00 0.18 0.00 0.00 52.55 52.59 2gbs s ASP 85 Cb 0.01 -1.52 -0.03 0.00 1.07 0.00 0.00 42.92 42.45 2gbs s ASP 85 CO 0.07 0.15 -0.22 0.27 1.18 0.00 0.00 175.17 176.62 2gbs s ILE 86 N 0.41 1.80 0.01 0.77 -4.36 -0.43 -0.67 121.20 118.73 2gbs s ILE 86 Ca -0.14 -1.33 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 2gbs s ILE 86 Cb -0.17 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 2gbs s ILE 86 CO 0.06 0.18 -0.18 -1.59 0.24 0.00 0.00 174.94 173.66 2gbs s LYS 87 N -1.37 1.33 -0.10 0.37 -2.85 -0.30 0.09 119.74 116.91 2gbs s LYS 87 Ca 0.08 -0.72 -0.29 0.00 -1.00 0.00 0.00 55.97 54.04 2gbs s LYS 87 Cb -0.09 -1.34 -0.04 0.00 -2.06 0.00 0.00 37.83 34.30 2gbs s LYS 87 CO 0.03 0.36 1.56 0.00 0.10 0.00 0.00 175.35 177.39 2gbs s ALA 88 N -0.57 3.58 -0.17 0.59 0.00 -1.26 -0.33 121.76 123.60 2gbs s ALA 88 Ca 0.06 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 2gbs s ALA 88 Cb -0.07 -3.73 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 2gbs s ALA 88 CO 0.00 -1.42 -0.22 -3.47 0.00 0.00 0.00 175.76 170.65 2gbs n ASP 89 N 7.20 1.87 -3.70 0.00 2.03 -0.53 -4.76 116.55 118.66 2gbs n ASP 89 Ca 0.17 0.49 -0.14 0.00 0.52 0.00 0.00 54.79 55.83 2gbs n ASP 89 Cb 0.44 -0.83 -0.09 0.00 -0.72 0.00 0.00 41.12 39.92 2gbs n ASP 89 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2gbs s LYS 90 N -2.51 0.66 0.79 -0.67 -2.85 -1.18 -5.04 119.74 108.95 2gbs s LYS 90 Ca -0.23 0.31 -0.09 0.00 -1.00 0.00 0.00 55.97 54.96 2gbs s LYS 90 Cb 0.04 0.31 0.11 0.00 -2.06 0.00 0.00 37.83 36.23 2gbs s LYS 90 CO 0.35 -0.14 1.11 -1.25 0.10 0.00 0.00 175.35 175.52 2gbs s PRO 91 N -0.49 1.64 0.41 1.78 0.04 -1.26 -0.10 135.00 137.02 2gbs s PRO 91 Ca -0.06 -0.42 -0.12 0.00 0.04 0.00 0.00 61.00 60.45 2gbs s PRO 91 Cb -0.03 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2gbs s PRO 91 CO 0.03 -1.65 0.79 -0.51 0.04 0.00 0.00 177.00 175.71 2gbs s LEU 92 N -5.44 3.83 0.25 -3.56 1.43 0.22 -4.76 118.68 110.64 2gbs s LEU 92 Ca 0.65 1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 2gbs s LEU 92 Cb -0.08 -4.08 0.31 0.00 0.03 0.00 0.00 46.19 42.38 2gbs s LEU 92 CO 0.47 -0.40 1.70 0.50 0.23 0.00 0.00 176.35 178.85 2gbs h LYS 93 N 1.31 0.66 -3.48 1.70 3.64 -1.87 -3.41 116.57 115.10 2gbs h LYS 93 Ca -0.47 -0.24 -0.38 0.00 -1.27 0.00 0.00 60.65 58.30 2gbs h LYS 93 Cb 1.19 -0.05 -0.38 0.00 -0.41 0.00 0.00 32.23 32.58 2gbs h LYS 93 CO 0.64 0.80 -0.75 0.99 -2.27 0.00 0.00 179.45 178.86 2gbs s THR 94 N -4.65 0.06 0.05 1.00 2.01 -0.00 -5.00 115.64 109.10 2gbs s THR 94 Ca -0.08 0.29 -0.32 0.00 0.31 0.00 0.00 61.69 61.88 2gbs s THR 94 Cb 0.14 -0.26 -0.11 0.00 0.01 0.00 0.00 72.50 72.28 2gbs s THR 94 CO 0.81 0.19 1.84 -2.65 -0.69 0.00 0.00 174.62 174.12 2gbs n PRO 95 N 5.01 2.52 -3.07 4.92 -0.02 -1.26 -4.48 135.00 138.62 2gbs n PRO 95 Ca -0.09 0.92 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 2gbs n PRO 95 Cb 0.50 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.20 4.74 0.80 -1.45 1.01 -0.56 -4.86 120.40 123.27 2gbs s VAL 96 Ca 0.86 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2gbs s VAL 96 Cb -0.57 -4.39 0.07 0.00 0.00 0.00 0.00 36.38 31.49 2gbs s VAL 96 CO 0.43 -0.94 1.09 0.42 0.00 0.00 0.00 175.10 176.10 2gbs s THR 97 N 2.99 3.15 0.42 3.92 -4.23 -1.26 -0.35 115.64 120.28 2gbs s THR 97 Ca 0.18 0.37 0.10 0.00 -1.18 0.00 0.00 61.69 61.16 2gbs s THR 97 Cb -0.18 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 70.87 2gbs s THR 97 CO 0.13 -0.49 2.03 0.25 -0.54 0.00 0.00 174.62 176.00 2gbs h LEU 98 N -1.10 0.42 -1.04 4.79 5.85 -0.24 0.68 115.31 124.68 2gbs h LEU 98 Ca -0.47 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2gbs h LEU 98 Cb 1.26 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2gbs h LEU 98 CO 0.58 0.29 0.21 0.00 -0.34 0.00 0.00 178.44 179.18 2gbs h ALA 99 N 1.73 1.23 -0.04 1.25 0.00 -1.92 0.18 119.26 121.70 2gbs h ALA 99 Ca 0.19 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2gbs h ALA 99 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2gbs h ALA 99 CO -0.05 0.55 -0.76 0.00 0.00 0.00 0.00 179.25 179.00 2gbs h ALA 100 N 1.35 0.63 -0.29 0.00 0.00 -1.47 -2.44 119.26 117.05 2gbs h ALA 100 Ca 0.20 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2gbs h ALA 100 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2gbs h ALA 100 CO -0.01 0.81 0.07 0.28 0.00 0.00 0.00 179.25 180.40 2gbs h VAL 101 N 0.18 1.21 0.00 0.00 2.07 -0.34 -2.47 116.25 116.91 2gbs h VAL 101 Ca -0.03 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2gbs h VAL 101 Cb 1.33 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2gbs h VAL 101 CO 0.12 0.23 0.00 0.29 0.02 0.00 0.00 177.57 178.23 2gbs n LYS 102 N -4.68 0.16 0.16 1.57 5.02 0.59 -1.74 118.16 119.25 2gbs n LYS 102 Ca -0.02 0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2gbs n LYS 102 Cb 0.18 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.09 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 2.75 1.00 -3.15 7.82 0.00 -0.94 -3.41 119.26 123.34 2gbs h ALA 103 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 2gbs h ALA 103 Cb 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.71 2gbs h ALA 103 CO 0.00 0.00 -0.59 -2.00 0.00 0.00 0.00 179.25 176.66 2gbs s GLU 104 N -3.24 2.53 0.59 0.00 2.56 -0.71 -4.97 118.70 115.46 2gbs s GLU 104 Ca 0.07 -1.30 0.29 0.00 0.00 0.00 0.00 54.97 54.03 2gbs s GLU 104 Cb 0.09 -3.48 1.64 0.00 2.00 0.00 0.00 34.13 34.38 2gbs s GLU 104 CO 0.57 -0.74 2.07 -1.35 -0.56 0.00 0.00 175.26 175.24 2gbs h PRO 105 N 8.20 0.00 -0.11 4.30 0.11 -1.83 -0.08 132.00 142.59 2gbs h PRO 105 Ca -0.22 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.83 2gbs h PRO 105 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2gbs h PRO 105 CO 0.63 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 178.20 2gbs h ARG 106 N 0.00 0.18 -0.02 1.05 3.08 -1.93 -2.43 114.38 114.32 2gbs h ARG 106 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2gbs h ARG 106 Cb 0.59 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2gbs h ARG 106 CO -0.00 0.40 0.00 1.28 -1.07 0.00 0.00 179.97 180.58 2gbs n LEU 107 N -4.21 1.23 0.22 3.04 4.77 -0.05 -3.87 117.00 118.13 2gbs n LEU 107 Ca -0.01 -0.41 0.06 0.00 -0.03 0.00 0.00 56.01 55.62 2gbs n LEU 107 Cb 0.32 -0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.91 2gbs n LEU 107 CO 0.39 0.21 0.86 0.00 -1.33 0.00 0.00 177.39 177.51 2gbs h ALA 108 N 4.28 1.50 -0.54 -1.18 0.00 -1.42 -1.47 119.26 120.43 2gbs h ALA 108 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gbs h ALA 108 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2gbs h ALA 108 CO 0.00 0.29 0.00 -3.47 0.00 0.00 0.00 179.25 176.07 2gbs n ASP 109 N -4.09 5.08 -4.83 0.00 -0.08 -1.25 -4.63 116.55 106.75 2gbs n ASP 109 Ca -0.02 -2.78 -0.34 0.00 -1.51 0.00 0.00 54.79 50.15 2gbs n ASP 109 Cb 0.30 -0.62 -0.06 0.00 2.34 0.00 0.00 41.12 43.07 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 -2.45 4.17 0.37 -0.67 1.75 -0.56 -4.92 119.30 117.00 2gbs s MET 110 Ca 0.51 0.90 0.25 0.00 -1.25 0.00 0.00 55.69 56.10 2gbs s MET 110 Cb 0.37 -2.48 1.35 0.00 2.84 0.00 0.00 34.83 36.90 2gbs s MET 110 CO 0.17 0.16 1.76 0.00 -0.65 0.00 0.00 175.02 176.47 2gbs h ALA 111 N 2.47 1.00 -0.13 4.11 0.00 -1.89 -0.28 119.26 124.55 2gbs h ALA 111 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2gbs h ALA 111 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2gbs h ALA 111 CO 0.64 0.00 -0.42 1.25 0.00 0.00 0.00 179.25 180.72 2gbs h LEU 112 N 0.00 0.30 0.00 0.00 5.85 -1.89 0.11 115.31 119.67 2gbs h LEU 112 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2gbs h LEU 112 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2gbs h LEU 112 CO 0.00 0.69 -1.50 0.23 -0.34 0.00 0.00 178.44 177.52 2gbs n MET 113 N -4.02 0.47 -0.08 1.25 2.81 -0.16 -4.48 117.12 112.90 2gbs n MET 113 Ca -0.02 -0.08 -0.22 0.00 -1.81 0.00 0.00 57.70 55.57 2gbs n MET 113 Cb 0.49 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 31.31 2gbs n MET 113 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2gbs h LYS 114 N 0.00 0.05 -4.69 0.03 1.57 -1.32 -3.45 116.57 108.75 2gbs h LYS 114 Ca 0.00 -0.08 -0.69 0.00 -1.87 0.00 0.00 60.65 58.01 2gbs h LYS 114 Cb 0.86 0.03 -0.31 0.00 0.08 0.00 0.00 32.23 32.89 2gbs h LYS 114 CO 0.00 1.04 -0.64 0.71 -0.57 0.00 0.00 179.45 179.99 2gbs s TYR 115 N -2.39 3.30 -0.02 -1.35 2.02 0.36 -4.94 117.35 114.33 2gbs s TYR 115 Ca -0.28 -1.75 -0.07 0.00 -0.37 0.00 0.00 57.07 54.61 2gbs s TYR 115 Cb 0.06 -2.34 -0.29 0.00 -0.40 0.00 0.00 41.96 38.99 2gbs s TYR 115 CO 0.62 -0.80 0.77 0.77 -1.57 0.00 0.00 175.55 175.35 2gbs h SER 116 N 8.10 0.50 1.11 2.29 0.02 -1.84 -3.35 113.55 120.39 2gbs h SER 116 Ca -0.21 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 2gbs h SER 116 Cb 1.07 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2gbs h SER 116 CO 0.59 1.61 -0.25 0.54 -1.14 0.00 0.00 176.83 178.18 2gbs n ARG 117 N -3.52 0.20 -2.38 3.45 1.74 -1.26 -4.69 116.66 110.20 2gbs n ARG 117 Ca -0.20 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.57 2gbs n ARG 117 Cb 1.06 -1.69 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 2gbs n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2gbs s LEU 118 N -4.03 3.52 0.15 0.55 2.96 -1.26 -4.88 118.68 115.69 2gbs s LEU 118 Ca 0.10 0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 54.54 2gbs s LEU 118 Cb 0.14 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 2gbs s LEU 118 CO 0.63 -1.53 1.39 0.28 -1.32 0.00 0.00 176.35 175.81 2gbs h SER 119 N 10.76 0.66 -3.16 3.68 0.02 -1.91 -3.43 113.55 120.18 2gbs h SER 119 Ca -0.27 -0.43 -0.61 0.00 -0.84 0.00 0.00 61.79 59.65 2gbs h SER 119 Cb 1.10 -0.20 -0.35 0.00 0.14 0.00 0.00 62.40 63.09 2gbs h SER 119 CO 1.12 1.19 -0.84 -0.69 -1.14 0.00 0.00 176.83 176.48 2gbs s VAL 120 N -3.69 1.62 0.11 2.27 1.01 -1.26 -1.76 120.40 118.70 2gbs s VAL 120 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2gbs s VAL 120 Cb 0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2gbs s VAL 120 CO 0.86 0.47 -0.13 0.00 0.00 0.00 0.00 175.10 176.30 2gbs s GLN 121 N 1.31 0.95 0.16 2.72 -2.07 -0.54 -4.60 119.66 117.59 2gbs s GLN 121 Ca 0.01 -1.20 -0.17 0.00 -1.82 0.00 0.00 55.36 52.18 2gbs s GLN 121 Cb -0.13 -0.76 -0.07 0.00 -1.09 0.00 0.00 33.01 30.95 2gbs s GLN 121 CO -0.08 0.14 0.61 -1.25 -1.32 0.00 0.00 175.29 173.39 2gbs s PRO 122 N -2.69 4.10 -0.04 9.60 0.04 -1.26 -0.07 135.00 144.68 2gbs s PRO 122 Ca 0.07 0.66 0.05 0.00 0.04 0.00 0.00 61.00 61.82 2gbs s PRO 122 Cb -0.04 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 2gbs s PRO 122 CO 0.02 0.47 -0.19 0.08 0.04 0.00 0.00 177.00 177.42 2gbs s VAL 123 N -1.44 1.53 0.49 -0.36 1.01 0.44 -4.85 120.40 117.22 2gbs s VAL 123 Ca 0.38 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2gbs s VAL 123 Cb -0.16 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 2gbs s VAL 123 CO 0.20 0.44 0.94 0.42 0.00 0.00 0.00 175.10 177.10 2gbs s THR 124 N -0.06 4.58 0.17 3.92 -4.23 -1.26 -4.03 115.64 114.72 2gbs s THR 124 Ca -0.02 1.12 -0.15 0.00 -1.18 0.00 0.00 61.69 61.46 2gbs s THR 124 Cb -0.11 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.07 2gbs s THR 124 CO 0.02 -0.64 1.74 0.00 -0.54 0.00 0.00 174.62 175.19 2gbs h ALA 125 N 1.02 0.49 -0.17 3.99 0.00 -1.98 0.21 119.26 122.82 2gbs h ALA 125 Ca -0.47 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2gbs h ALA 125 Cb 1.18 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2gbs h ALA 125 CO 0.62 -0.28 -0.22 0.93 0.00 0.00 0.00 179.25 180.30 2gbs h GLU 126 N 0.26 0.30 0.24 0.00 5.08 -1.98 0.12 114.58 118.61 2gbs h GLU 126 Ca 0.20 -0.09 -0.33 0.00 -1.00 0.00 0.00 59.36 58.14 2gbs h GLU 126 Cb 0.23 -0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.48 2gbs h GLU 126 CO -0.24 0.51 -1.47 0.93 -1.00 0.00 0.00 179.01 177.73 2gbs h GLU 127 N 0.27 0.51 -0.12 2.33 4.39 -1.81 -1.21 114.58 118.93 2gbs h GLU 127 Ca 0.05 -0.87 0.05 0.00 0.34 0.00 0.00 59.36 58.93 2gbs h GLU 127 Cb 0.54 0.32 -0.06 0.00 -0.10 0.00 0.00 28.75 29.45 2gbs h GLU 127 CO 0.04 1.41 -0.29 2.35 -1.16 0.00 0.00 179.01 181.36 2gbs h TRP 128 N 0.10 -0.78 0.00 4.33 2.91 -0.32 -0.96 115.95 121.23 2gbs h TRP 128 Ca -0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.79 2gbs h TRP 128 Cb 2.12 0.36 0.00 0.00 -0.51 0.00 0.00 29.16 31.14 2gbs h TRP 128 CO 0.13 -0.37 0.00 0.87 -1.03 0.00 0.00 178.44 178.04 2gbs h LYS 129 N -0.37 0.00 0.23 2.65 1.57 -0.82 -1.81 116.57 118.03 2gbs h LYS 129 Ca 0.10 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2gbs h LYS 129 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2gbs h LYS 129 CO -0.33 0.00 -0.11 1.25 -0.57 0.00 0.00 179.45 179.69 2gbs h LEU 130 N 0.00 -0.27 -0.84 2.94 5.85 -0.49 -1.88 115.31 120.62 2gbs h LEU 130 Ca 0.00 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2gbs h LEU 130 Cb 0.62 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2gbs h LEU 130 CO 0.00 0.11 0.45 0.58 -0.34 0.00 0.00 178.44 179.24 2gbs h VAL 131 N -0.68 1.25 -0.03 1.05 2.07 -0.96 0.13 116.25 119.08 2gbs h VAL 131 Ca -0.03 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2gbs h VAL 131 Cb 0.48 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2gbs h VAL 131 CO 0.05 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.83 2gbs h LYS 133 N -0.14 0.56 -0.25 0.00 3.64 -0.94 -0.26 116.57 119.18 2gbs h LYS 133 Ca 0.05 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 2gbs h LYS 133 Cb 0.21 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2gbs h LYS 133 CO -0.12 0.64 0.12 0.52 -2.27 0.00 0.00 179.45 178.34 2gbs h MET 134 N 0.52 0.34 -0.54 1.90 2.86 -0.29 -0.74 114.93 118.97 2gbs h MET 134 Ca 0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2gbs h MET 134 Cb 0.45 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2gbs h MET 134 CO 0.02 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.67 2gbs n GLY 135 N -1.39 1.15 2.16 8.32 0.00 -0.33 -4.87 105.19 110.23 2gbs n GLY 135 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 0.63 0.45 3.49 -0.02 0.00 -0.28 -0.82 105.19 108.63 2gbs n GLY 136 Ca 0.10 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.12 4.45 -0.40 0.99 2.96 -0.24 -4.81 118.68 121.51 2gbs s LEU 137 Ca 0.00 -1.78 0.04 0.00 -0.22 0.00 0.00 54.13 52.17 2gbs s LEU 137 Cb 0.00 -2.46 0.16 0.00 0.50 0.00 0.00 46.19 44.39 2gbs s LEU 137 CO 0.00 -1.25 0.40 -0.76 -1.32 0.00 0.00 176.35 173.42 2gbs s LEU 138 N 3.59 0.19 0.17 -0.68 1.43 -1.26 -3.92 118.68 118.20 2gbs s LEU 138 Ca 0.37 -2.01 0.24 0.00 -1.03 0.00 0.00 54.13 51.70 2gbs s LEU 138 Cb -0.03 0.42 0.25 0.00 0.03 0.00 0.00 46.19 46.86 2gbs s LEU 138 CO -0.09 -0.21 1.27 1.05 0.23 0.00 0.00 176.35 178.60 2gbs h GLU 139 N 6.45 0.00 -2.59 1.70 9.09 -2.02 -3.37 114.58 123.84 2gbs h GLU 139 Ca 0.11 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.95 2gbs h GLU 139 Cb 1.02 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.07 2gbs h GLU 139 CO 0.22 0.00 2.26 1.58 0.05 0.00 0.00 179.01 183.11 2gbs n HIS 140 N -2.36 1.85 -1.96 2.06 -0.00 -1.26 -4.83 115.22 108.71 2gbs n HIS 140 Ca 0.02 -2.57 -0.42 0.00 0.46 0.00 0.00 57.72 55.21 2gbs n HIS 140 Cb 0.48 -2.04 0.00 0.00 -0.12 0.00 0.00 29.99 28.31 2gbs n HIS 140 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2gbs n HIS 141 N 2.65 3.67 -3.09 1.57 -0.00 -1.26 -4.47 115.22 114.29 2gbs n HIS 141 Ca 0.64 -2.94 -0.18 0.00 0.46 0.00 0.00 57.72 55.70 2gbs n HIS 141 Cb 0.42 -2.49 0.02 0.00 -0.12 0.00 0.00 29.99 27.82 2gbs n HIS 141 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2gbs n HIS 142 N 6.17 -3.19 -3.60 1.57 -0.00 -1.26 -5.05 115.22 109.86 2gbs n HIS 142 Ca 0.50 1.30 -0.16 0.00 0.46 0.00 0.00 57.72 59.82 2gbs n HIS 142 Cb 0.40 -3.35 -0.07 0.00 -0.12 0.00 0.00 29.99 26.85 2gbs n HIS 142 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2gbs s HIS 143 N -2.29 -0.66 -0.50 1.57 5.04 -1.26 -5.11 115.29 112.08 2gbs s HIS 143 Ca 0.27 1.38 -0.28 0.00 -1.54 0.00 0.00 55.06 54.89 2gbs s HIS 143 Cb -0.06 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.88 2gbs s HIS 143 CO 0.81 -0.47 1.53 -1.58 -2.34 0.00 0.00 174.74 172.69 2gbs s HIS 144 N -0.45 2.15 0.00 3.88 5.65 -1.26 -5.02 115.29 120.24 2gbs s HIS 144 Ca -0.06 0.58 0.00 0.00 0.25 0.00 0.00 55.06 55.83 2gbs s HIS 144 Cb -0.03 -4.30 0.00 0.00 -1.18 0.00 0.00 32.58 27.08 2gbs s HIS 144 CO 0.05 -2.17 0.00 1.58 -0.65 0.00 0.00 174.74 173.56