#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 0.66 -0.20 3.52 0.00 -1.26 -4.95 121.76 119.53 2gbs s ALA 2 Ca 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 2gbs s ALA 2 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 2gbs s ALA 2 CO 0.00 -0.15 0.01 0.71 0.00 0.00 0.00 175.76 176.33 2gbs s TYR 3 N -2.45 3.06 0.22 0.00 2.02 -1.26 -1.66 117.35 117.29 2gbs s TYR 3 Ca -0.01 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2gbs s TYR 3 Cb -0.03 -2.09 -0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2gbs s TYR 3 CO -0.03 -0.19 0.02 0.91 -1.57 0.00 0.00 175.55 174.70 2gbs n TRP 4 N 4.17 0.39 -3.76 2.71 7.02 0.09 -0.26 117.44 127.79 2gbs n TRP 4 Ca -0.17 -1.19 -0.13 0.00 -1.02 0.00 0.00 57.50 54.99 2gbs n TRP 4 Cb 0.52 -0.11 -0.12 0.00 -2.42 0.00 0.00 31.31 29.18 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 0.78 -0.07 -0.99 0.20 0.23 -1.32 118.68 117.51 2gbs s LEU 5 Ca 0.03 0.54 0.05 0.00 0.69 0.00 0.00 54.13 55.44 2gbs s LEU 5 Cb 0.00 0.86 -0.01 0.00 -0.43 0.00 0.00 46.19 46.61 2gbs s LEU 5 CO 0.02 -0.12 -0.23 0.68 -0.29 0.00 0.00 176.35 176.41 2gbs s VAL 6 N 0.54 1.94 -0.28 1.68 -7.23 0.18 -1.80 120.40 115.42 2gbs s VAL 6 Ca -0.03 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.05 2gbs s VAL 6 Cb -0.05 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2gbs s VAL 6 CO -0.03 0.54 0.17 -0.54 -0.31 0.00 0.00 175.10 174.93 2gbs s LYS 7 N 0.02 3.87 0.07 4.82 1.02 -1.22 -1.13 119.74 127.18 2gbs s LYS 7 Ca -0.08 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.59 2gbs s LYS 7 Cb -0.15 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2gbs s LYS 7 CO 0.05 -0.20 -0.14 0.45 -0.92 0.00 0.00 175.35 174.59 2gbs s SER 8 N 1.73 1.66 -0.27 2.83 0.15 -0.19 -4.91 113.70 114.70 2gbs s SER 8 Ca 0.07 -0.61 -0.12 0.00 0.70 0.00 0.00 55.95 55.99 2gbs s SER 8 Cb -0.16 -0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.05 2gbs s SER 8 CO 0.10 -0.07 0.25 -1.61 1.20 0.00 0.00 173.24 173.11 2gbs s GLU 9 N -1.71 3.99 0.55 5.44 2.02 -1.26 -0.24 118.70 127.49 2gbs s GLU 9 Ca -0.02 -0.18 0.36 0.00 0.02 0.00 0.00 54.97 55.15 2gbs s GLU 9 Cb -0.10 -3.64 1.65 0.00 0.10 0.00 0.00 34.13 32.14 2gbs s GLU 9 CO 0.02 -0.18 2.07 -1.00 0.02 0.00 0.00 175.26 176.19 2gbs h PRO 10 N 8.18 0.00 0.00 0.39 0.13 -1.80 -1.08 132.00 137.82 2gbs h PRO 10 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2gbs h PRO 10 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2gbs h PRO 10 CO 0.60 0.00 -0.08 0.77 -0.23 0.00 0.00 178.00 179.06 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.02 -1.93 -3.32 113.55 109.76 2gbs h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gbs h SER 11 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2gbs h SER 11 CO 0.00 0.08 -0.64 0.52 -1.14 0.00 0.00 176.83 175.64 2gbs n VAL 12 N -3.40 1.26 -4.41 2.27 0.31 -0.51 -5.01 118.33 108.83 2gbs n VAL 12 Ca -0.01 0.23 -0.28 0.00 -0.01 0.00 0.00 64.34 64.27 2gbs n VAL 12 Cb 0.23 -2.05 -0.17 0.00 -0.91 0.00 0.00 33.84 30.94 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 -2.46 1.84 0.49 3.52 -0.11 -0.60 -5.10 118.94 116.51 2gbs s TRP 13 Ca -0.19 -0.84 0.07 0.00 1.22 0.00 0.00 56.10 56.36 2gbs s TRP 13 Cb 0.03 -1.35 0.01 0.00 -1.50 0.00 0.00 33.47 30.66 2gbs s TRP 13 CO 0.28 -0.45 0.39 -1.54 -4.62 0.00 0.00 176.95 171.01 2gbs s SER 14 N 1.02 4.77 0.27 5.86 1.04 -1.26 -3.58 113.70 121.81 2gbs s SER 14 Ca -0.06 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 55.39 2gbs s SER 14 Cb -0.15 -0.00 0.35 0.00 0.10 0.00 0.00 66.02 66.32 2gbs s SER 14 CO -0.02 -0.91 1.62 -0.25 0.98 0.00 0.00 173.24 174.66 2gbs h TRP 15 N 0.88 0.18 -0.86 5.02 2.91 -1.99 -2.97 115.95 119.13 2gbs h TRP 15 Ca -0.38 -0.07 0.08 0.00 1.13 0.00 0.00 58.89 59.65 2gbs h TRP 15 Cb 1.28 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.83 2gbs h TRP 15 CO 0.76 0.68 0.51 -0.44 -1.03 0.00 0.00 178.44 178.92 2gbs h ASP 16 N 0.11 0.77 -0.79 2.65 3.32 -1.99 -0.19 116.42 120.29 2gbs h ASP 16 Ca -0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2gbs h ASP 16 Cb 1.03 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 2gbs h ASP 16 CO 0.08 0.46 0.40 1.56 -1.72 0.00 0.00 179.24 180.01 2gbs h GLN 17 N 0.88 1.14 0.00 3.56 1.08 -1.93 -2.24 115.11 117.61 2gbs h GLN 17 Ca 0.40 -0.16 -0.15 0.00 -1.45 0.00 0.00 58.65 57.29 2gbs h GLN 17 Cb 0.30 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2gbs h GLN 17 CO -0.22 0.87 -0.74 1.96 -0.95 0.00 0.00 178.83 179.75 2gbs h GLN 18 N 1.14 0.00 -0.57 1.46 1.08 -1.31 -2.33 115.11 114.58 2gbs h GLN 18 Ca 0.28 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.42 2gbs h GLN 18 Cb 0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2gbs h GLN 18 CO -0.04 0.74 0.12 0.28 -0.95 0.00 0.00 178.83 178.98 2gbs h VAL 19 N 0.00 1.25 0.00 -0.54 2.07 -0.69 0.81 116.25 119.15 2gbs h VAL 19 Ca -0.01 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2gbs h VAL 19 Cb 1.47 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2gbs h VAL 19 CO 0.10 0.34 0.00 0.00 0.02 0.00 0.00 177.57 178.02 2gbs h ALA 20 N 1.02 1.00 -0.25 1.67 0.00 -1.35 -2.90 119.26 118.45 2gbs h ALA 20 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2gbs h ALA 20 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2gbs h ALA 20 CO 0.00 0.00 -0.16 1.63 0.00 0.00 0.00 179.25 180.72 2gbs n LYS 21 N -2.87 1.84 0.27 0.00 5.02 -0.84 -4.73 118.16 116.85 2gbs n LYS 21 Ca 0.02 -3.15 0.18 0.00 -2.02 0.00 0.00 58.31 53.33 2gbs n LYS 21 Cb 0.33 -1.76 0.80 0.00 -0.02 0.00 0.00 35.03 34.39 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 1.01 0.00 0.23 0.72 0.00 -0.65 0.25 103.07 104.64 2gbs h GLY 22 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.11 2gbs h GLY 22 CO 0.27 0.00 -2.05 0.00 0.00 0.00 0.00 176.54 174.76 2gbs n ALA 23 N -2.03 1.05 0.05 3.60 0.00 -1.26 -4.51 120.51 117.41 2gbs n ALA 23 Ca -0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.53 2gbs n ALA 23 Cb 0.22 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.15 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs h ALA 24 N -0.24 0.36 0.00 0.00 0.00 -1.89 -3.51 119.26 113.98 2gbs h ALA 24 Ca -0.49 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.31 2gbs h ALA 24 Cb 1.78 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2gbs h ALA 24 CO -0.10 1.22 0.00 0.41 0.00 0.00 0.00 179.25 180.78 2gbs n GLY 25 N 1.57 -2.13 3.00 0.00 0.00 0.88 -4.95 105.19 103.56 2gbs n GLY 25 Ca -0.12 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.16 0.28 -0.34 1.61 2.56 0.51 -4.92 118.70 118.24 2gbs s GLU 26 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 54.97 54.40 2gbs s GLU 26 Cb 0.00 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.24 2gbs s GLU 26 CO 0.00 -0.05 0.73 0.00 -0.56 0.00 0.00 175.26 175.38 2gbs s ALA 27 N -0.98 3.48 -1.25 6.30 0.00 -1.26 -1.18 121.76 126.86 2gbs s ALA 27 Ca -0.11 -0.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2gbs s ALA 27 Cb -0.06 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 19.93 2gbs s ALA 27 CO -0.00 -1.32 1.61 1.87 0.00 0.00 0.00 175.76 177.91 2gbs n TRP 28 N 6.21 4.48 -4.05 0.00 -0.00 0.05 -4.94 117.44 119.18 2gbs n TRP 28 Ca 0.02 -3.15 -0.23 0.00 -0.00 0.00 0.00 57.50 54.14 2gbs n TRP 28 Cb 0.48 -2.23 -0.04 0.00 -0.00 0.00 0.00 31.31 29.52 2gbs n TRP 28 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2gbs s THR 29 N 1.84 4.77 0.00 5.87 -1.32 -1.26 -3.99 115.64 121.55 2gbs s THR 29 Ca 0.44 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.74 2gbs s THR 29 Cb 0.01 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.45 2gbs s THR 29 CO 0.01 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 2gbs n GLY 30 N -1.09 1.30 3.56 6.08 0.00 -1.26 -5.03 105.19 108.75 2gbs n GLY 30 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.69 -0.61 1.61 -7.23 -1.26 -4.73 120.40 109.87 2gbs s VAL 31 Ca 0.00 -0.52 0.25 0.00 -1.81 0.00 0.00 61.98 59.90 2gbs s VAL 31 Cb 0.00 -4.56 0.25 0.00 0.56 0.00 0.00 36.38 32.63 2gbs s VAL 31 CO 0.00 -1.47 1.62 0.03 -0.31 0.00 0.00 175.10 174.96 2gbs h ARG 32 N 10.61 0.00 -5.70 4.82 3.08 -1.99 -3.43 114.38 121.78 2gbs h ARG 32 Ca 0.12 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.56 2gbs h ARG 32 Cb 1.01 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.95 2gbs h ARG 32 CO 1.32 0.00 0.31 -0.80 -1.07 0.00 0.00 179.97 179.73 2gbs s ASN 33 N -4.98 6.54 0.49 7.04 0.01 -1.26 -4.92 114.94 117.86 2gbs s ASN 33 Ca 0.08 0.37 0.29 0.00 -0.71 0.00 0.00 52.86 52.89 2gbs s ASN 33 Cb 0.10 -2.38 1.01 0.00 0.41 0.00 0.00 41.25 40.39 2gbs s ASN 33 CO 0.65 -0.66 1.85 0.45 -1.51 0.00 0.00 177.10 177.88 2gbs h HIS 34 N 8.38 0.00 -0.13 2.20 3.86 -2.00 -1.73 115.15 125.73 2gbs h HIS 34 Ca -0.25 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.86 2gbs h HIS 34 Cb 1.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2gbs h HIS 34 CO 0.78 0.07 -0.34 0.77 0.86 0.00 0.00 177.93 180.07 2gbs h SER 35 N 0.00 0.27 0.06 2.45 0.02 -1.97 -1.52 113.55 112.86 2gbs h SER 35 Ca -0.00 -0.10 -0.17 0.00 -0.84 0.00 0.00 61.79 60.68 2gbs h SER 35 Cb 0.70 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2gbs h SER 35 CO 0.01 0.60 -0.61 0.00 -1.14 0.00 0.00 176.83 175.69 2gbs h ALA 36 N 1.42 0.64 -0.34 3.77 0.00 -1.66 -2.60 119.26 120.50 2gbs h ALA 36 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 36 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2gbs h ALA 36 CO 0.05 0.70 0.22 -0.22 0.00 0.00 0.00 179.25 180.01 2gbs h LYS 37 N 0.41 0.46 -0.62 0.00 3.64 -1.12 0.22 116.57 119.54 2gbs h LYS 37 Ca -0.00 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2gbs h LYS 37 Cb 1.16 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 2gbs h LYS 37 CO 0.11 0.32 0.32 1.25 -2.27 0.00 0.00 179.45 179.18 2gbs h LEU 38 N 0.45 0.45 -0.79 5.20 6.46 -1.19 0.11 115.31 126.00 2gbs h LEU 38 Ca 0.12 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.81 2gbs h LEU 38 Cb -0.03 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2gbs h LEU 38 CO -0.03 0.29 -0.38 0.45 -0.62 0.00 0.00 178.44 178.15 2gbs h HIS 39 N 0.59 0.55 -0.09 1.25 3.86 -1.08 -2.95 115.15 117.28 2gbs h HIS 39 Ca 0.29 -0.15 -0.16 0.00 -1.16 0.00 0.00 60.37 59.19 2gbs h HIS 39 Cb 0.22 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2gbs h HIS 39 CO -0.10 0.78 -0.65 1.98 0.86 0.00 0.00 177.93 180.80 2gbs h MET 40 N 0.39 0.34 0.00 2.45 1.85 -0.13 -2.57 114.93 117.26 2gbs h MET 40 Ca 0.04 -0.25 -0.05 0.00 -0.61 0.00 0.00 59.70 58.84 2gbs h MET 40 Cb 0.84 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.90 2gbs h MET 40 CO 0.07 0.87 -0.22 0.28 -0.40 0.00 0.00 176.91 177.51 2gbs h VAL 41 N 0.24 1.12 0.00 -5.77 2.07 -0.91 -1.15 116.25 111.85 2gbs h VAL 41 Ca -0.01 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2gbs h VAL 41 Cb 1.19 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2gbs h VAL 41 CO 0.11 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.85 2gbs n ALA 42 N -2.48 2.47 -1.71 1.67 0.00 -1.00 -4.85 120.51 114.61 2gbs n ALA 42 Ca -0.02 -0.12 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 2gbs n ALA 42 Cb 0.28 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -3.01 3.48 0.07 0.00 -1.94 -0.44 -5.02 119.30 112.44 2gbs s MET 43 Ca 0.13 1.19 -0.13 0.00 -1.71 0.00 0.00 55.69 55.17 2gbs s MET 43 Cb 0.18 -2.06 0.02 0.00 2.01 0.00 0.00 34.83 34.98 2gbs s MET 43 CO 0.56 -0.68 0.29 0.50 -0.01 0.00 0.00 175.02 175.68 2gbs s ARG 44 N -3.96 0.87 -0.08 2.03 3.52 -1.26 -4.52 118.95 115.54 2gbs s ARG 44 Ca 0.63 -0.66 -0.36 0.00 -0.13 0.00 0.00 55.73 55.22 2gbs s ARG 44 Cb -0.15 0.37 -0.14 0.00 -1.56 0.00 0.00 34.95 33.47 2gbs s ARG 44 CO 0.34 -0.29 1.74 -2.13 -0.81 0.00 0.00 175.30 174.15 2gbs n ARG 45 N 0.27 1.79 0.00 5.12 0.63 -1.26 -0.95 116.66 122.26 2gbs n ARG 45 Ca -0.17 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 2gbs n ARG 45 Cb 0.61 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 31.10 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 4.00 2.45 3.77 5.14 0.00 -0.44 -4.61 105.19 115.49 2gbs n GLY 46 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.66 6.32 -0.00 1.61 1.11 -0.12 -4.58 116.67 119.34 2gbs s ASP 47 Ca 0.00 2.52 0.02 0.00 0.18 0.00 0.00 52.55 55.26 2gbs s ASP 47 Cb 0.00 -2.63 -0.00 0.00 1.07 0.00 0.00 42.92 41.36 2gbs s ASP 47 CO 0.00 -0.83 -0.06 -0.13 1.18 0.00 0.00 175.17 175.33 2gbs s ARG 48 N -2.33 0.45 0.24 8.23 0.52 -0.66 -0.33 118.95 125.06 2gbs s ARG 48 Ca 0.58 -0.20 0.09 0.00 -0.52 0.00 0.00 55.73 55.67 2gbs s ARG 48 Cb -0.35 -0.43 -0.05 0.00 0.52 0.00 0.00 34.95 34.64 2gbs s ARG 48 CO 0.44 0.12 -0.14 0.00 0.02 0.00 0.00 175.30 175.74 2gbs s ALA 49 N -0.14 2.29 -0.14 2.13 0.00 0.57 -0.73 121.76 125.74 2gbs s ALA 49 Ca 0.02 -1.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2gbs s ALA 49 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2gbs s ALA 49 CO -0.00 0.09 0.57 -0.06 0.00 0.00 0.00 175.76 176.35 2gbs s PHE 50 N -2.86 3.47 -0.63 0.00 0.08 -0.44 -0.69 117.98 116.91 2gbs s PHE 50 Ca 0.26 0.96 -0.24 0.00 0.12 0.00 0.00 56.93 58.02 2gbs s PHE 50 Cb -0.01 -2.69 0.05 0.00 -0.57 0.00 0.00 43.02 39.80 2gbs s PHE 50 CO 0.10 0.02 1.04 -0.47 -0.10 0.00 0.00 175.22 175.81 2gbs s TYR 51 N 1.16 2.62 -0.18 0.36 5.04 0.61 -0.65 117.35 126.31 2gbs s TYR 51 Ca 0.29 -0.19 -0.05 0.00 -2.44 0.00 0.00 57.07 54.68 2gbs s TYR 51 Cb -0.16 -4.31 -0.03 0.00 0.35 0.00 0.00 41.96 37.82 2gbs s TYR 51 CO 0.12 -1.64 -0.01 -0.47 -1.34 0.00 0.00 175.55 172.21 2gbs s TYR 52 N 4.45 3.05 -0.14 4.97 5.04 -0.29 -1.97 117.35 132.47 2gbs s TYR 52 Ca 0.29 -0.37 -0.29 0.00 -2.44 0.00 0.00 57.07 54.26 2gbs s TYR 52 Cb -0.13 -2.04 -0.01 0.00 0.35 0.00 0.00 41.96 40.13 2gbs s TYR 52 CO 0.15 -0.14 1.10 -1.01 -1.34 0.00 0.00 175.55 174.31 2gbs s HIS 53 N 0.75 3.29 0.06 4.97 3.76 0.52 -1.02 115.29 127.63 2gbs s HIS 53 Ca -0.00 1.38 0.01 0.00 -0.15 0.00 0.00 55.06 56.30 2gbs s HIS 53 Cb -0.14 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.20 2gbs s HIS 53 CO 0.02 -0.77 0.16 -1.12 -0.85 0.00 0.00 174.74 172.18 2gbs s SER 54 N 1.35 6.05 0.00 1.40 0.01 0.66 -2.17 113.70 121.00 2gbs s SER 54 Ca 0.50 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2gbs s SER 54 Cb -0.19 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2gbs s SER 54 CO 0.15 0.17 0.00 0.59 0.41 0.00 0.00 173.24 174.56 2gbs n ASN 55 N 0.37 0.00 -4.54 2.44 3.02 -1.26 -4.54 115.26 110.76 2gbs n ASN 55 Ca -0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.11 2gbs n ASN 55 Cb 0.51 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.57 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2gbs s GLU 56 N 0.00 3.79 0.00 3.52 2.56 -1.26 -4.61 118.70 122.70 2gbs s GLU 56 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 54.55 2gbs s GLU 56 Cb 0.00 -3.59 0.00 0.00 2.00 0.00 0.00 34.13 32.54 2gbs s GLU 56 CO 0.00 -0.23 0.00 0.41 -0.56 0.00 0.00 175.26 174.88 2gbs n GLY 57 N 5.03 2.59 3.15 -1.50 0.00 -1.26 -4.70 105.19 108.50 2gbs n GLY 57 Ca -0.14 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.78 -3.60 1.61 5.02 -0.92 -4.77 118.16 113.71 2gbs n LYS 58 Ca 0.00 1.59 -0.16 0.00 -2.02 0.00 0.00 58.31 57.72 2gbs n LYS 58 Cb 0.00 -4.77 -0.07 0.00 -0.02 0.00 0.00 35.03 30.17 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 -3.09 0.91 -0.36 1.97 -1.05 -1.15 -0.83 118.70 115.09 2gbs s GLU 59 Ca 0.13 0.21 -0.16 0.00 -0.15 0.00 0.00 54.97 55.00 2gbs s GLU 59 Cb -0.03 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2gbs s GLU 59 CO 0.79 -0.26 0.39 0.42 0.95 0.00 0.00 175.26 177.55 2gbs s ILE 60 N -1.04 5.14 -0.15 1.83 1.01 0.20 -0.35 121.20 127.83 2gbs s ILE 60 Ca -0.10 -0.05 0.14 0.00 0.00 0.00 0.00 60.65 60.64 2gbs s ILE 60 Cb -0.02 -3.89 -0.19 0.00 0.01 0.00 0.00 42.46 38.37 2gbs s ILE 60 CO 0.07 -0.19 0.06 1.33 0.00 0.00 0.00 174.94 176.21 2gbs n VAL 61 N 5.30 1.04 -3.83 2.92 0.24 -0.83 -0.94 118.33 122.24 2gbs n VAL 61 Ca -0.08 -0.65 -0.08 0.00 -2.04 0.00 0.00 64.34 61.49 2gbs n VAL 61 Cb 0.49 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 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 -4.89 0.15 -0.17 7.63 0.00 -1.25 -0.72 107.32 108.07 2gbs s GLY 62 Ca -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.10 2gbs s GLY 62 CO 0.64 -0.13 -0.09 -0.42 0.00 0.00 0.00 173.10 173.09 2gbs s ILE 63 N -3.03 3.19 -0.16 0.90 1.01 0.88 -0.28 121.20 123.71 2gbs s ILE 63 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.14 2gbs s ILE 63 Cb -0.05 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2gbs s ILE 63 CO 0.09 0.48 0.05 0.00 0.00 0.00 0.00 174.94 175.56 2gbs s ALA 64 N 0.88 3.41 -0.10 9.38 0.00 0.13 -1.50 121.76 133.97 2gbs s ALA 64 Ca -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2gbs s ALA 64 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2gbs s ALA 64 CO 0.00 0.30 0.05 -2.00 0.00 0.00 0.00 175.76 174.11 2gbs s GLU 65 N -0.01 3.18 -0.50 0.00 2.12 -0.54 -0.31 118.70 122.63 2gbs s GLU 65 Ca 0.06 -0.32 -0.28 0.00 0.36 0.00 0.00 54.97 54.78 2gbs s GLU 65 Cb -0.12 -2.94 0.02 0.00 0.26 0.00 0.00 34.13 31.35 2gbs s GLU 65 CO 0.01 0.70 1.36 0.42 -0.54 0.00 0.00 175.26 177.22 2gbs s ILE 66 N -0.86 3.89 -1.97 -3.70 -1.09 0.55 -2.18 121.20 115.84 2gbs s ILE 66 Ca 0.13 0.84 0.18 0.00 -2.23 0.00 0.00 60.65 59.57 2gbs s ILE 66 Cb -0.12 -4.40 0.27 0.00 -1.58 0.00 0.00 42.46 36.63 2gbs s ILE 66 CO 0.03 -1.02 1.19 2.30 -1.23 0.00 0.00 174.94 176.21 2gbs n ILE 67 N 6.93 0.36 -3.87 2.92 -5.35 -0.99 -1.33 119.36 118.03 2gbs n ILE 67 Ca 0.13 -0.68 -0.17 0.00 -0.27 0.00 0.00 62.75 61.77 2gbs n ILE 67 Cb 0.49 1.06 -0.16 0.00 -1.74 0.00 0.00 39.64 39.28 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 0.20 0.93 6.28 6.06 -1.22 -4.96 118.95 124.93 2gbs s ARG 68 Ca 0.27 0.12 -0.11 0.00 -2.50 0.00 0.00 55.73 53.51 2gbs s ARG 68 Cb 0.17 -0.43 0.13 0.00 0.06 0.00 0.00 34.95 34.87 2gbs s ARG 68 CO 0.23 -0.15 0.97 0.39 -2.50 0.00 0.00 175.30 174.24 2gbs n GLU 69 N 4.20 -0.48 -1.80 5.12 -0.58 -1.26 -4.25 120.64 121.60 2gbs n GLU 69 Ca -0.26 -0.08 -0.43 0.00 -0.42 0.00 0.00 57.16 55.98 2gbs n GLU 69 Cb 0.50 -2.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.09 2gbs n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gbs s ALA 70 N -2.58 3.18 0.32 0.62 0.00 -1.26 -4.77 121.76 117.26 2gbs s ALA 70 Ca 0.65 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.55 2gbs s ALA 70 Cb -0.23 -3.93 -0.05 0.00 0.00 0.00 0.00 23.12 18.91 2gbs s ALA 70 CO 0.60 -2.13 -0.06 1.52 0.00 0.00 0.00 175.76 175.69 2gbs s TYR 71 N 6.05 2.48 0.23 0.00 -0.85 -0.70 -4.95 117.35 119.61 2gbs s TYR 71 Ca 0.87 -0.39 -0.31 0.00 -0.52 0.00 0.00 57.07 56.71 2gbs s TYR 71 Cb -0.33 -1.31 -0.11 0.00 0.38 0.00 0.00 41.96 40.59 2gbs s TYR 71 CO 0.35 0.58 1.62 -2.14 -1.52 0.00 0.00 175.55 174.44 2gbs s PRO 72 N -3.64 4.15 -0.04 -3.49 0.02 -1.26 -0.21 135.00 130.53 2gbs s PRO 72 Ca 0.33 2.52 -0.34 0.00 0.02 0.00 0.00 61.00 63.53 2gbs s PRO 72 Cb -0.02 -3.07 -0.12 0.00 0.02 0.00 0.00 34.50 31.31 2gbs s PRO 72 CO 0.18 -0.65 1.82 -3.47 -0.33 0.00 0.00 177.00 174.55 2gbs n ASP 73 N 3.18 3.38 0.13 2.53 -0.08 -0.27 -4.57 116.55 120.84 2gbs n ASP 73 Ca 0.12 0.99 0.10 0.00 -1.51 0.00 0.00 54.79 54.49 2gbs n ASP 73 Cb 0.37 -1.38 0.48 0.00 2.34 0.00 0.00 41.12 42.93 2gbs n ASP 73 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2gbs n PRO 74 N 6.04 0.13 0.19 -0.67 -0.04 -1.26 -0.94 135.00 138.45 2gbs n PRO 74 Ca 0.22 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.30 2gbs n PRO 74 Cb 0.29 -1.86 0.17 0.00 -0.04 0.00 0.00 33.50 32.07 2gbs n PRO 74 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2gbs h THR 75 N 0.00 0.43 -3.40 0.52 2.02 -1.97 -3.45 112.91 107.06 2gbs h THR 75 Ca 0.00 -1.50 -0.65 0.00 0.77 0.00 0.00 66.41 65.03 2gbs h THR 75 Cb 0.11 2.12 -0.15 0.00 -1.74 0.00 0.00 68.15 68.49 2gbs h THR 75 CO 0.00 0.23 -0.74 -0.62 0.37 0.00 0.00 175.52 174.77 2gbs s ASP 76 N -6.28 4.35 -0.09 4.18 2.15 -0.12 -5.04 116.67 115.82 2gbs s ASP 76 Ca 0.05 -0.44 0.07 0.00 0.43 0.00 0.00 52.55 52.66 2gbs s ASP 76 Cb 0.07 -0.80 -0.24 0.00 -0.30 0.00 0.00 42.92 41.65 2gbs s ASP 76 CO 0.69 0.15 0.48 0.00 -0.17 0.00 0.00 175.17 176.33 2gbs n ALA 77 N 0.50 1.32 0.05 3.66 0.00 -1.26 -4.49 120.51 120.29 2gbs n ALA 77 Ca -0.13 -0.79 -0.21 0.00 0.00 0.00 0.00 53.44 52.31 2gbs n ALA 77 Cb 0.53 -0.70 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 2gbs n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gbs h SER 78 N 0.02 0.49 0.00 0.00 0.87 -1.96 -3.48 113.55 109.48 2gbs h SER 78 Ca -0.36 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.27 2gbs h SER 78 Cb 2.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2gbs h SER 78 CO 0.07 1.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.46 2gbs n GLY 79 N 1.69 1.74 0.13 5.77 0.00 -1.26 -4.99 105.19 108.27 2gbs n GLY 79 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -5.69 1.61 1.63 -1.93 -3.43 116.57 108.76 2gbs h LYS 80 Ca 0.00 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.33 2gbs h LYS 80 Cb 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 31.45 2gbs h LYS 80 CO 0.00 0.00 -0.77 -0.06 -3.45 0.00 0.00 179.45 175.17 2gbs s PHE 81 N -3.22 1.63 0.22 1.91 0.08 -1.26 -5.08 117.98 112.26 2gbs s PHE 81 Ca 0.08 -0.51 0.11 0.00 0.12 0.00 0.00 56.93 56.72 2gbs s PHE 81 Cb 0.11 -0.83 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2gbs s PHE 81 CO 0.52 0.24 -0.20 0.14 -0.10 0.00 0.00 175.22 175.82 2gbs s VAL 82 N -2.12 2.26 0.01 -0.44 -7.23 -1.26 -1.11 120.40 110.50 2gbs s VAL 82 Ca 0.13 -2.19 -0.02 0.00 -1.81 0.00 0.00 61.98 58.09 2gbs s VAL 82 Cb -0.05 -2.14 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 2gbs s VAL 82 CO 0.05 -0.31 0.02 0.00 -0.31 0.00 0.00 175.10 174.55 2gbs s VAL 84 N -1.21 0.81 -0.37 0.00 -7.23 -1.26 -1.72 120.40 109.43 2gbs s VAL 84 Ca -0.13 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.11 2gbs s VAL 84 Cb -0.08 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2gbs s VAL 84 CO -0.00 -0.72 0.33 -1.81 -0.31 0.00 0.00 175.10 172.59 2gbs s ASP 85 N -2.74 6.13 0.08 4.85 1.01 -1.26 -0.77 116.67 123.98 2gbs s ASP 85 Ca 0.08 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 52.83 2gbs s ASP 85 Cb 0.01 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 2gbs s ASP 85 CO -0.02 -0.39 0.12 0.27 0.21 0.00 0.00 175.17 175.36 2gbs s ILE 86 N 1.88 4.76 0.02 0.77 -4.36 -0.32 -2.35 121.20 121.61 2gbs s ILE 86 Ca 0.09 -0.69 0.03 0.00 -0.26 0.00 0.00 60.65 59.82 2gbs s ILE 86 Cb -0.17 -3.31 -0.02 0.00 1.25 0.00 0.00 42.46 40.21 2gbs s ILE 86 CO 0.11 0.11 -0.09 -1.59 0.24 0.00 0.00 174.94 173.73 2gbs s LYS 87 N -2.47 0.60 -0.57 0.37 -2.85 -0.93 -0.36 119.74 113.53 2gbs s LYS 87 Ca 0.31 -0.56 -0.26 0.00 -1.00 0.00 0.00 55.97 54.46 2gbs s LYS 87 Cb -0.12 -0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.09 2gbs s LYS 87 CO 0.24 0.12 2.16 0.00 0.10 0.00 0.00 175.35 177.96 2gbs s ALA 88 N -0.81 1.81 -0.12 0.59 0.00 -1.26 -1.47 121.76 120.50 2gbs s ALA 88 Ca -0.03 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 2gbs s ALA 88 Cb -0.07 -4.35 -0.11 0.00 0.00 0.00 0.00 23.12 18.60 2gbs s ALA 88 CO 0.00 -4.31 0.27 0.22 0.00 0.00 0.00 175.76 171.94 2gbs h ASP 89 N 16.98 0.00 -3.33 0.00 1.82 -1.61 -3.45 116.42 126.83 2gbs h ASP 89 Ca -0.22 -0.39 -0.11 0.00 -0.39 0.00 0.00 57.03 55.91 2gbs h ASP 89 Cb 1.20 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 40.95 2gbs h ASP 89 CO 1.18 0.76 -0.28 -1.59 -1.61 0.00 0.00 179.24 177.70 2gbs s LYS 90 N -1.90 0.41 0.47 0.28 -2.85 -1.11 -5.04 119.74 110.01 2gbs s LYS 90 Ca -0.10 0.76 -0.04 0.00 -1.00 0.00 0.00 55.97 55.60 2gbs s LYS 90 Cb -0.01 0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.76 2gbs s LYS 90 CO 0.30 -0.14 0.75 -1.25 0.10 0.00 0.00 175.35 175.11 2gbs s PRO 91 N 1.21 3.44 0.64 1.78 0.04 -1.26 -0.08 135.00 140.78 2gbs s PRO 91 Ca -0.08 0.04 -0.11 0.00 0.04 0.00 0.00 61.00 60.90 2gbs s PRO 91 Cb -0.07 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 2gbs s PRO 91 CO -0.11 -0.20 1.04 -0.51 0.04 0.00 0.00 177.00 177.26 2gbs s LEU 92 N -4.68 3.13 0.10 -3.56 1.43 0.11 -4.87 118.68 110.33 2gbs s LEU 92 Ca 0.47 1.25 0.12 0.00 -1.03 0.00 0.00 54.13 54.94 2gbs s LEU 92 Cb -0.10 -4.19 -0.14 0.00 0.03 0.00 0.00 46.19 41.78 2gbs s LEU 92 CO 0.43 -1.04 1.06 0.50 0.23 0.00 0.00 176.35 177.53 2gbs h LYS 93 N -0.41 0.00 -3.40 1.70 3.64 -1.69 -3.44 116.57 112.98 2gbs h LYS 93 Ca -0.45 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.51 2gbs h LYS 93 Cb 1.22 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.64 2gbs h LYS 93 CO 0.63 0.60 -0.75 0.99 -2.27 0.00 0.00 179.45 178.65 2gbs s THR 94 N -2.78 0.11 0.11 1.00 2.01 0.75 -4.93 115.64 111.90 2gbs s THR 94 Ca -0.01 0.10 -0.33 0.00 0.31 0.00 0.00 61.69 61.77 2gbs s THR 94 Cb 0.09 -0.45 -0.12 0.00 0.01 0.00 0.00 72.50 72.02 2gbs s THR 94 CO 0.80 0.06 1.73 -2.65 -0.69 0.00 0.00 174.62 173.88 2gbs n PRO 95 N 5.22 2.43 -2.99 4.92 -0.02 -1.26 -4.48 135.00 138.82 2gbs n PRO 95 Ca -0.06 0.88 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 2gbs n PRO 95 Cb 0.49 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 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 2.11 4.60 0.86 -1.45 1.01 -0.11 -4.82 120.40 122.60 2gbs s VAL 96 Ca 0.82 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 2gbs s VAL 96 Cb -0.60 -4.51 0.11 0.00 0.00 0.00 0.00 36.38 31.38 2gbs s VAL 96 CO 0.40 -1.15 1.10 0.42 0.00 0.00 0.00 175.10 175.86 2gbs s THR 97 N 3.34 2.76 0.33 3.92 -4.23 -1.26 0.60 115.64 121.10 2gbs s THR 97 Ca 0.19 0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2gbs s THR 97 Cb -0.19 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.10 2gbs s THR 97 CO 0.11 -0.32 1.97 0.25 -0.54 0.00 0.00 174.62 176.09 2gbs h LEU 98 N -1.40 0.79 -1.49 4.79 5.85 -1.29 -0.59 115.31 121.97 2gbs h LEU 98 Ca -0.49 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2gbs h LEU 98 Cb 1.28 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2gbs h LEU 98 CO 0.57 0.55 0.12 0.00 -0.34 0.00 0.00 178.44 179.34 2gbs h ALA 99 N 1.56 1.60 -0.21 1.25 0.00 -1.92 -0.73 119.26 120.81 2gbs h ALA 99 Ca 0.30 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2gbs h ALA 99 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2gbs h ALA 99 CO -0.08 0.31 -0.48 0.00 0.00 0.00 0.00 179.25 178.99 2gbs h ALA 100 N 1.68 0.76 -0.48 0.00 0.00 -1.47 -2.57 119.26 117.17 2gbs h ALA 100 Ca 0.12 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2gbs h ALA 100 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2gbs h ALA 100 CO -0.01 0.67 0.08 0.28 0.00 0.00 0.00 179.25 180.27 2gbs h VAL 101 N 0.45 1.22 0.00 0.00 2.07 -0.65 -1.78 116.25 117.56 2gbs h VAL 101 Ca 0.02 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2gbs h VAL 101 Cb 1.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2gbs h VAL 101 CO 0.09 0.30 0.00 0.29 0.02 0.00 0.00 177.57 178.27 2gbs n LYS 102 N -4.27 0.61 0.00 1.57 5.02 -0.37 -2.64 118.16 118.09 2gbs n LYS 102 Ca 0.03 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.46 2gbs n LYS 102 Cb 0.24 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.12 3.78 -4.05 7.82 0.00 -0.67 -4.78 120.51 121.50 2gbs n ALA 103 Ca 0.16 -0.41 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 2gbs n ALA 103 Cb 0.13 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.98 2.18 0.67 0.00 2.56 -1.08 -4.98 118.70 115.07 2gbs s GLU 104 Ca 0.11 -1.27 0.41 0.00 0.00 0.00 0.00 54.97 54.22 2gbs s GLU 104 Cb 0.17 -2.82 2.22 0.00 2.00 0.00 0.00 34.13 35.69 2gbs s GLU 104 CO 0.73 -0.56 2.26 -1.35 -0.56 0.00 0.00 175.26 175.78 2gbs h PRO 105 N 7.81 0.00 0.00 4.30 0.11 -1.86 0.17 132.00 142.52 2gbs h PRO 105 Ca -0.20 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 2gbs h PRO 105 Cb 1.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2gbs h PRO 105 CO 0.46 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.12 2gbs h ARG 106 N 0.00 0.00 -0.60 1.05 3.08 -1.93 -2.46 114.38 113.52 2gbs h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gbs h ARG 106 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2gbs h ARG 106 CO -0.00 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 2gbs n LEU 107 N -3.59 3.69 -0.03 3.04 4.77 0.04 -4.43 117.00 120.50 2gbs n LEU 107 Ca -0.01 -1.88 -0.11 0.00 -0.03 0.00 0.00 56.01 53.98 2gbs n LEU 107 Cb 0.27 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 2gbs n LEU 107 CO 0.30 0.90 0.48 0.00 -1.33 0.00 0.00 177.39 177.74 2gbs h ALA 108 N 4.01 0.63 -0.39 -1.18 0.00 -1.44 -2.81 119.26 118.08 2gbs h ALA 108 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 108 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2gbs h ALA 108 CO 0.00 0.68 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 2gbs n ASP 109 N -3.99 2.08 -4.78 0.00 5.75 -1.26 -4.80 116.55 109.55 2gbs n ASP 109 Ca -0.03 -2.00 -0.37 0.00 -0.01 0.00 0.00 54.79 52.38 2gbs n ASP 109 Cb 0.60 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.38 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2gbs s MET 110 N -1.48 4.28 0.62 0.11 1.75 -1.06 -4.93 119.30 118.59 2gbs s MET 110 Ca 0.26 1.48 0.36 0.00 -1.25 0.00 0.00 55.69 56.53 2gbs s MET 110 Cb 0.14 -2.62 2.07 0.00 2.84 0.00 0.00 34.83 37.25 2gbs s MET 110 CO 0.18 -0.03 2.30 0.00 -0.65 0.00 0.00 175.02 176.82 2gbs h ALA 111 N 2.69 1.33 -0.73 4.11 0.00 -1.89 -2.44 119.26 122.33 2gbs h ALA 111 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2gbs h ALA 111 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2gbs h ALA 111 CO 0.63 -0.01 0.47 1.25 0.00 0.00 0.00 179.25 181.59 2gbs h LEU 112 N 0.00 0.85 0.00 0.00 5.85 -1.90 0.37 115.31 120.48 2gbs h LEU 112 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2gbs h LEU 112 Cb 0.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2gbs h LEU 112 CO -0.00 0.63 -0.25 0.23 -0.34 0.00 0.00 178.44 178.71 2gbs n MET 113 N -4.41 0.11 -0.02 1.25 2.81 -0.92 -4.44 117.12 111.51 2gbs n MET 113 Ca 0.08 0.06 -0.06 0.00 -1.81 0.00 0.00 57.70 55.97 2gbs n MET 113 Cb 0.04 -1.60 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 2gbs n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2gbs n LYS 114 N -1.78 0.19 -3.12 0.03 5.02 -0.68 -4.90 118.16 112.91 2gbs n LYS 114 Ca 0.06 0.08 -0.45 0.00 -2.02 0.00 0.00 58.31 55.97 2gbs n LYS 114 Cb 0.38 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 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 -2.24 3.21 0.04 2.13 2.02 0.12 -4.91 117.35 117.73 2gbs s TYR 115 Ca -0.11 -1.31 -0.24 0.00 -0.37 0.00 0.00 57.07 55.03 2gbs s TYR 115 Cb 0.03 -4.03 -0.17 0.00 -0.40 0.00 0.00 41.96 37.39 2gbs s TYR 115 CO 0.15 -1.27 1.54 0.77 -1.57 0.00 0.00 175.55 175.17 2gbs h SER 116 N 8.77 -0.01 1.30 2.29 0.02 -1.83 -3.16 113.55 120.92 2gbs h SER 116 Ca -0.10 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2gbs h SER 116 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2gbs h SER 116 CO 1.02 0.19 0.00 0.54 -1.14 0.00 0.00 176.83 177.44 2gbs n ARG 117 N -5.00 0.18 -2.29 3.45 1.74 -1.26 -4.64 116.66 108.85 2gbs n ARG 117 Ca -0.08 0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 2gbs n ARG 117 Cb 0.13 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 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 -4.06 3.34 -0.06 0.55 2.96 -1.20 -4.86 118.68 115.36 2gbs s LEU 118 Ca 0.11 0.25 -0.17 0.00 -0.22 0.00 0.00 54.13 54.11 2gbs s LEU 118 Cb 0.14 -2.86 -0.12 0.00 0.50 0.00 0.00 46.19 43.85 2gbs s LEU 118 CO 0.57 -1.92 0.66 -1.28 -1.32 0.00 0.00 176.35 173.06 2gbs h SER 119 N 12.14 -0.22 -3.17 3.68 0.87 -1.87 -3.42 113.55 121.56 2gbs h SER 119 Ca -0.27 -0.25 -0.60 0.00 -1.23 0.00 0.00 61.79 59.44 2gbs h SER 119 Cb 1.11 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 63.01 2gbs h SER 119 CO 1.20 0.33 0.61 -0.69 -0.53 0.00 0.00 176.83 177.74 2gbs s VAL 120 N -3.02 4.34 0.08 2.23 1.01 -1.25 -3.46 120.40 120.34 2gbs s VAL 120 Ca -0.10 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2gbs s VAL 120 Cb 0.00 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 2gbs s VAL 120 CO 0.35 -1.16 -0.24 -1.10 0.00 0.00 0.00 175.10 172.95 2gbs s GLN 121 N 4.07 1.70 0.08 2.72 -0.21 -0.75 -4.86 119.66 122.42 2gbs s GLN 121 Ca 0.31 -1.18 -0.23 0.00 0.02 0.00 0.00 55.36 54.28 2gbs s GLN 121 Cb -0.12 -2.00 -0.07 0.00 1.00 0.00 0.00 33.01 31.82 2gbs s GLN 121 CO 0.19 0.49 0.71 -1.25 -2.12 0.00 0.00 175.29 173.32 2gbs s PRO 122 N -1.65 4.44 -0.03 2.91 0.05 -1.26 -0.60 135.00 138.86 2gbs s PRO 122 Ca 0.14 0.99 0.07 0.00 0.05 0.00 0.00 61.00 62.25 2gbs s PRO 122 Cb -0.10 -3.30 -0.02 0.00 0.05 0.00 0.00 34.50 31.13 2gbs s PRO 122 CO 0.05 0.46 -0.25 0.08 0.05 0.00 0.00 177.00 177.38 2gbs s VAL 123 N -0.63 2.11 0.32 -0.36 1.01 0.64 -4.87 120.40 118.62 2gbs s VAL 123 Ca 0.35 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 2gbs s VAL 123 Cb -0.21 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 2gbs s VAL 123 CO 0.23 0.58 0.89 0.42 0.00 0.00 0.00 175.10 177.21 2gbs s THR 124 N -0.50 4.34 0.44 3.92 -4.23 -1.26 -4.26 115.64 114.09 2gbs s THR 124 Ca 0.07 1.61 0.18 0.00 -1.18 0.00 0.00 61.69 62.37 2gbs s THR 124 Cb -0.11 -3.89 0.37 0.00 1.34 0.00 0.00 72.50 70.21 2gbs s THR 124 CO 0.00 0.07 1.91 0.00 -0.54 0.00 0.00 174.62 176.06 2gbs h ALA 125 N 2.98 2.22 -0.04 3.99 0.00 -1.98 0.22 119.26 126.65 2gbs h ALA 125 Ca -0.47 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2gbs h ALA 125 Cb 1.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2gbs h ALA 125 CO 0.64 -0.44 -0.04 0.93 0.00 0.00 0.00 179.25 180.34 2gbs h GLU 126 N 0.35 0.09 -0.18 0.00 3.07 -1.99 -1.58 114.58 114.34 2gbs h GLU 126 Ca 0.39 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 59.01 2gbs h GLU 126 Cb 1.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 2gbs h GLU 126 CO -0.12 0.57 -0.64 0.93 -1.40 0.00 0.00 179.01 178.35 2gbs h GLU 127 N -0.38 0.66 -0.11 2.33 4.39 -1.79 -1.10 114.58 118.58 2gbs h GLU 127 Ca 0.00 -0.46 0.04 0.00 0.34 0.00 0.00 59.36 59.28 2gbs h GLU 127 Cb 0.55 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 2gbs h GLU 127 CO 0.01 1.08 -0.39 2.35 -1.16 0.00 0.00 179.01 180.90 2gbs h TRP 128 N 0.48 -1.11 0.00 4.33 2.91 -0.64 -0.64 115.95 121.28 2gbs h TRP 128 Ca -0.01 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 2gbs h TRP 128 Cb 1.23 0.50 -0.01 0.00 -0.51 0.00 0.00 29.16 30.37 2gbs h TRP 128 CO 0.06 -0.46 -0.28 0.87 -1.03 0.00 0.00 178.44 177.60 2gbs h LYS 129 N -0.48 0.00 -0.04 2.65 1.57 -1.17 -2.28 116.57 116.83 2gbs h LYS 129 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2gbs h LYS 129 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 2gbs h LYS 129 CO -0.37 0.28 -0.01 1.25 -0.57 0.00 0.00 179.45 180.03 2gbs h LEU 130 N 0.00 0.07 -1.05 2.94 5.85 -0.55 -1.62 115.31 120.95 2gbs h LEU 130 Ca -0.00 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2gbs h LEU 130 Cb 0.56 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2gbs h LEU 130 CO 0.04 0.43 0.33 0.58 -0.34 0.00 0.00 178.44 179.48 2gbs h VAL 131 N -0.29 1.23 0.75 1.05 2.07 -0.94 0.25 116.25 120.37 2gbs h VAL 131 Ca 0.01 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2gbs h VAL 131 Cb 0.40 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2gbs h VAL 131 CO 0.00 0.27 -0.39 0.00 0.02 0.00 0.00 177.57 177.48 2gbs h LYS 133 N -1.04 0.18 -0.07 0.00 3.64 -1.03 0.53 116.57 118.78 2gbs h LYS 133 Ca -0.10 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 2gbs h LYS 133 Cb 0.81 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2gbs h LYS 133 CO 0.15 0.20 -0.52 1.98 -2.27 0.00 0.00 179.45 178.99 2gbs h MET 134 N 0.19 0.19 -1.00 1.90 4.05 -0.26 -3.05 114.93 116.94 2gbs h MET 134 Ca 0.05 -0.11 -0.28 0.00 -0.28 0.00 0.00 59.70 59.08 2gbs h MET 134 Cb 0.12 0.01 -0.17 0.00 -0.80 0.00 0.00 31.60 30.76 2gbs h MET 134 CO 0.00 0.66 0.36 0.41 0.23 0.00 0.00 176.91 178.57 2gbs n GLY 135 N 0.04 3.36 2.56 1.39 0.00 0.50 -4.82 105.19 108.22 2gbs n GLY 135 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2gbs n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbs n GLY 136 N -0.39 1.03 3.45 -0.02 0.00 -1.15 -0.18 105.19 107.92 2gbs n GLY 136 Ca 0.33 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.91 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 5.13 0.57 0.99 2.96 -0.14 -4.60 118.68 123.58 2gbs s LEU 137 Ca 0.00 -2.35 -0.19 0.00 -0.22 0.00 0.00 54.13 51.36 2gbs s LEU 137 Cb 0.00 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 2gbs s LEU 137 CO 0.00 -0.95 1.20 -0.22 -1.32 0.00 0.00 176.35 175.06 2gbs s LEU 138 N 2.24 3.72 -0.99 -0.68 1.98 -1.26 -2.60 118.68 121.09 2gbs s LEU 138 Ca 0.35 2.36 -0.24 0.00 -2.89 0.00 0.00 54.13 53.71 2gbs s LEU 138 Cb -0.04 -4.55 -0.04 0.00 0.66 0.00 0.00 46.19 42.22 2gbs s LEU 138 CO -0.07 -1.46 1.87 -1.61 -1.89 0.00 0.00 176.35 173.20 2gbs s GLU 139 N -3.24 2.74 0.00 1.98 2.02 -1.26 -4.55 118.70 116.39 2gbs s GLU 139 Ca 0.75 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2gbs s GLU 139 Cb -0.29 -5.15 0.00 0.00 0.10 0.00 0.00 34.13 28.78 2gbs s GLU 139 CO 0.33 -3.29 0.00 1.58 0.02 0.00 0.00 175.26 173.90 2gbs n HIS 140 N 13.15 0.00 0.00 1.61 -0.00 -1.26 -3.39 115.22 125.33 2gbs n HIS 140 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.12 2gbs n HIS 140 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2gbs n HIS 140 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2gbs n HIS 141 N 0.00 -0.05 -0.70 1.57 -0.00 -1.26 -5.14 115.22 109.64 2gbs n HIS 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2gbs n HIS 141 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 2gbs n HIS 141 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2gbs n HIS 142 N -0.83 -1.80 -2.77 1.57 8.25 -1.22 -4.96 115.22 113.46 2gbs n HIS 142 Ca 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 2gbs n HIS 142 Cb 0.00 -2.32 0.00 0.00 1.12 0.00 0.00 29.99 28.79 2gbs n HIS 142 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2gbs n HIS 143 N -0.11 0.00 -1.85 4.41 1.44 -1.26 -4.80 115.22 113.05 2gbs n HIS 143 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 2gbs n HIS 143 Cb 0.00 -0.88 -0.01 0.00 0.12 0.00 0.00 29.99 29.22 2gbs n HIS 143 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2gbs n HIS 144 N 2.01 2.86 -0.75 -1.40 -0.00 -1.26 -5.28 115.22 111.40 2gbs n HIS 144 Ca 0.00 -2.92 0.00 0.00 0.46 0.00 0.00 57.72 55.26 2gbs n HIS 144 Cb 0.13 -2.20 0.00 0.00 -0.12 0.00 0.00 29.99 27.81 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38