#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 4.30 -0.04 1.55 0.00 -1.26 -4.93 121.76 121.38 2gbs s ALA 2 Ca 0.00 -1.66 0.03 0.00 0.00 0.00 0.00 51.96 50.33 2gbs s ALA 2 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2gbs s ALA 2 CO 0.00 -0.63 -0.13 0.71 0.00 0.00 0.00 175.76 175.71 2gbs s TYR 3 N -2.60 1.37 0.36 0.00 2.02 -1.26 -1.17 117.35 116.07 2gbs s TYR 3 Ca 0.58 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.94 2gbs s TYR 3 Cb -0.09 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2gbs s TYR 3 CO 0.37 -0.15 0.17 0.91 -1.57 0.00 0.00 175.55 175.27 2gbs n TRP 4 N 3.29 -0.11 -3.77 2.71 7.02 -0.49 -1.56 117.44 124.52 2gbs n TRP 4 Ca -0.19 -2.46 -0.16 0.00 -1.02 0.00 0.00 57.50 53.67 2gbs n TRP 4 Cb 0.53 0.07 -0.16 0.00 -2.42 0.00 0.00 31.31 29.33 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 0.95 -0.04 -0.99 0.20 0.59 -0.98 118.68 118.42 2gbs s LEU 5 Ca 0.24 0.04 0.07 0.00 0.69 0.00 0.00 54.13 55.17 2gbs s LEU 5 Cb 0.01 -0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.66 2gbs s LEU 5 CO 0.17 -0.14 -0.25 0.68 -0.29 0.00 0.00 176.35 176.52 2gbs s VAL 6 N 1.23 2.11 -0.38 1.68 -7.23 -0.72 -0.50 120.40 116.59 2gbs s VAL 6 Ca -0.07 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.85 2gbs s VAL 6 Cb -0.13 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2gbs s VAL 6 CO -0.03 0.58 0.47 -0.54 -0.31 0.00 0.00 175.10 175.27 2gbs s LYS 7 N -0.43 3.40 -0.19 4.82 1.02 -0.61 -1.73 119.74 126.03 2gbs s LYS 7 Ca 0.04 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2gbs s LYS 7 Cb -0.12 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2gbs s LYS 7 CO 0.01 -0.73 -0.12 0.45 -0.92 0.00 0.00 175.35 174.04 2gbs s SER 8 N 1.80 3.77 -0.23 2.83 0.15 0.61 -4.79 113.70 117.84 2gbs s SER 8 Ca 0.16 -0.49 -0.26 0.00 0.70 0.00 0.00 55.95 56.06 2gbs s SER 8 Cb -0.16 -1.61 -0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2gbs s SER 8 CO 0.14 0.02 0.87 -1.61 1.20 0.00 0.00 173.24 173.86 2gbs s GLU 9 N 1.23 4.22 0.17 5.44 2.02 -1.26 -0.84 118.70 129.68 2gbs s GLU 9 Ca 0.03 1.04 0.17 0.00 0.02 0.00 0.00 54.97 56.23 2gbs s GLU 9 Cb -0.14 -3.63 0.79 0.00 0.10 0.00 0.00 34.13 31.24 2gbs s GLU 9 CO -0.05 -0.51 1.53 -0.35 0.02 0.00 0.00 175.26 175.90 2gbs n PRO 10 N 5.93 0.11 0.26 0.39 -0.04 -1.22 -1.01 135.00 139.42 2gbs n PRO 10 Ca 0.07 0.45 0.15 0.00 -0.04 0.00 0.00 63.50 64.12 2gbs n PRO 10 Cb 0.47 -1.75 0.65 0.00 -0.04 0.00 0.00 33.50 32.83 2gbs n PRO 10 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2gbs h SER 11 N 0.00 0.00 0.00 3.54 4.64 -1.91 -3.36 113.55 116.46 2gbs h SER 11 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2gbs h SER 11 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2gbs h SER 11 CO 0.00 0.09 -0.65 0.52 -0.87 0.00 0.00 176.83 175.92 2gbs n VAL 12 N -3.25 1.13 -4.72 0.95 0.31 -0.31 -5.05 118.33 107.39 2gbs n VAL 12 Ca -0.00 0.20 -0.27 0.00 -0.01 0.00 0.00 64.34 64.26 2gbs n VAL 12 Cb 0.32 -1.80 -0.17 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.29 1.82 0.50 3.52 -0.00 -0.18 -5.09 118.94 117.23 2gbs s TRP 13 Ca -0.11 -0.73 0.07 0.00 -0.00 0.00 0.00 56.10 55.33 2gbs s TRP 13 Cb 0.02 -1.29 0.03 0.00 -0.00 0.00 0.00 33.47 32.23 2gbs s TRP 13 CO 0.16 -0.35 0.50 -1.54 -0.00 0.00 0.00 176.95 175.72 2gbs s SER 14 N 0.65 4.95 0.10 5.86 1.04 -1.26 -3.42 113.70 121.62 2gbs s SER 14 Ca -0.14 -0.92 -0.07 0.00 0.48 0.00 0.00 55.95 55.29 2gbs s SER 14 Cb -0.16 -0.02 -0.20 0.00 0.10 0.00 0.00 66.02 65.74 2gbs s SER 14 CO 0.04 -0.98 1.21 -0.25 0.98 0.00 0.00 173.24 174.23 2gbs h TRP 15 N 0.70 0.70 -0.60 5.02 2.91 -1.98 -3.19 115.95 119.51 2gbs h TRP 15 Ca -0.37 -0.43 0.06 0.00 1.13 0.00 0.00 58.89 59.28 2gbs h TRP 15 Cb 1.29 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.82 2gbs h TRP 15 CO 0.65 1.28 0.31 0.22 -1.03 0.00 0.00 178.44 179.86 2gbs h ASP 16 N 0.21 0.44 0.12 2.65 3.58 -1.99 -0.75 116.42 120.68 2gbs h ASP 16 Ca -0.12 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 2gbs h ASP 16 Cb 1.77 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.76 2gbs h ASP 16 CO 0.19 0.29 -0.15 1.56 -2.88 0.00 0.00 179.24 178.25 2gbs h GLN 17 N 0.58 0.07 -0.19 0.28 4.20 -1.98 -1.47 115.11 116.60 2gbs h GLN 17 Ca 0.27 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.76 2gbs h GLN 17 Cb 0.18 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2gbs h GLN 17 CO -0.18 0.23 -0.69 1.96 -0.67 0.00 0.00 178.83 179.48 2gbs h GLN 18 N 0.07 0.76 -0.44 1.46 1.08 -1.21 -2.49 115.11 114.33 2gbs h GLN 18 Ca 0.01 -0.56 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 2gbs h GLN 18 Cb 0.32 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2gbs h GLN 18 CO 0.02 1.18 0.25 0.28 -0.95 0.00 0.00 178.83 179.61 2gbs h VAL 19 N 0.54 1.15 -0.48 -0.54 2.07 -0.46 -1.00 116.25 117.54 2gbs h VAL 19 Ca -0.03 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2gbs h VAL 19 Cb 1.30 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2gbs h VAL 19 CO 0.14 0.16 0.32 0.00 0.02 0.00 0.00 177.57 178.21 2gbs h ALA 20 N 1.10 1.68 -0.38 1.67 0.00 -1.31 -0.53 119.26 121.49 2gbs h ALA 20 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2gbs h ALA 20 Cb 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2gbs h ALA 20 CO -0.03 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.15 2gbs n LYS 21 N -4.47 3.17 0.10 0.00 5.02 -0.72 -4.36 118.16 116.91 2gbs n LYS 21 Ca 0.04 -1.90 0.08 0.00 -2.02 0.00 0.00 58.31 54.51 2gbs n LYS 21 Cb 0.07 -1.86 0.54 0.00 -0.02 0.00 0.00 35.03 33.76 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 4.52 0.29 -1.53 0.72 0.00 0.20 0.45 103.07 107.72 2gbs h GLY 22 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2gbs h GLY 22 CO 0.25 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.88 2gbs n ALA 23 N -2.52 2.49 0.04 3.60 0.00 -1.26 -4.62 120.51 118.24 2gbs n ALA 23 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2gbs n ALA 23 Cb 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.99 3.00 0.00 0.00 0.00 -0.37 -5.16 120.51 118.97 2gbs n ALA 24 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2gbs n ALA 24 Cb 0.51 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 3.39 2.29 3.04 0.00 0.00 0.14 -4.97 105.19 109.08 2gbs n GLY 25 Ca 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.20 0.27 0.03 1.61 2.12 -0.26 -4.90 118.70 114.36 2gbs s GLU 26 Ca 0.00 -0.01 -0.27 0.00 0.36 0.00 0.00 54.97 55.05 2gbs s GLU 26 Cb 0.00 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 2gbs s GLU 26 CO 0.00 -0.05 0.84 0.00 -0.54 0.00 0.00 175.26 175.52 2gbs s ALA 27 N -0.41 3.29 -1.39 6.30 0.00 -1.26 -0.77 121.76 127.52 2gbs s ALA 27 Ca -0.05 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 2gbs s ALA 27 Cb -0.03 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.03 2gbs s ALA 27 CO 0.01 -0.05 2.05 1.87 0.00 0.00 0.00 175.76 179.63 2gbs n TRP 28 N 3.22 3.78 -3.66 0.00 -0.00 0.73 -4.95 117.44 116.55 2gbs n TRP 28 Ca 0.01 -2.94 -0.29 0.00 -0.00 0.00 0.00 57.50 54.28 2gbs n TRP 28 Cb 0.50 -2.49 -0.04 0.00 -0.00 0.00 0.00 31.31 29.28 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 3.04 5.18 0.00 5.87 -1.32 -1.26 -4.33 115.64 122.82 2gbs s THR 29 Ca 0.48 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2gbs s THR 29 Cb 0.11 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 2gbs s THR 29 CO -0.04 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 2gbs n GLY 30 N -0.40 0.82 3.55 6.08 0.00 -1.26 -5.01 105.19 108.97 2gbs n GLY 30 Ca -0.04 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.19 3.94 -0.41 1.61 -7.23 -1.26 -4.84 120.40 110.01 2gbs s VAL 31 Ca 0.00 0.46 0.22 0.00 -1.81 0.00 0.00 61.98 60.85 2gbs s VAL 31 Cb 0.00 -4.80 0.30 0.00 0.56 0.00 0.00 36.38 32.44 2gbs s VAL 31 CO 0.00 -1.59 1.57 0.03 -0.31 0.00 0.00 175.10 174.80 2gbs h ARG 32 N 9.77 0.00 -6.46 4.82 3.08 -1.99 -3.43 114.38 120.16 2gbs h ARG 32 Ca -0.27 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.21 2gbs h ARG 32 Cb 1.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 2gbs h ARG 32 CO 1.22 0.04 0.95 -0.80 -1.07 0.00 0.00 179.97 180.31 2gbs s ASN 33 N -6.19 6.67 0.27 7.04 -0.87 -1.26 -4.90 114.94 115.69 2gbs s ASN 33 Ca 0.06 0.93 0.06 0.00 -1.57 0.00 0.00 52.86 52.34 2gbs s ASN 33 Cb 0.05 -2.54 0.35 0.00 -0.02 0.00 0.00 41.25 39.09 2gbs s ASN 33 CO 0.68 -1.14 1.63 0.45 -2.57 0.00 0.00 177.10 176.15 2gbs h HIS 34 N 9.24 0.28 -0.53 2.20 3.86 -1.99 -1.51 115.15 126.69 2gbs h HIS 34 Ca -0.24 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 58.91 2gbs h HIS 34 Cb 1.08 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.46 2gbs h HIS 34 CO 0.91 0.70 0.30 0.77 0.86 0.00 0.00 177.93 181.47 2gbs h SER 35 N 0.18 0.47 -0.21 2.45 0.02 -1.98 0.77 113.55 115.25 2gbs h SER 35 Ca 0.01 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2gbs h SER 35 Cb 0.97 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2gbs h SER 35 CO 0.08 0.33 0.09 0.00 -1.14 0.00 0.00 176.83 176.18 2gbs h ALA 36 N 1.26 0.28 -0.58 3.77 0.00 -1.73 -2.60 119.26 119.65 2gbs h ALA 36 Ca 0.22 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.13 2gbs h ALA 36 Cb 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 2gbs h ALA 36 CO -0.12 -0.13 0.12 -0.22 0.00 0.00 0.00 179.25 178.90 2gbs h LYS 37 N 0.19 0.25 -0.82 0.00 3.64 -0.85 0.75 116.57 119.73 2gbs h LYS 37 Ca 0.07 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2gbs h LYS 37 Cb 0.18 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2gbs h LYS 37 CO -0.01 0.17 0.54 -0.07 -2.27 0.00 0.00 179.45 177.81 2gbs h LEU 38 N 0.26 0.93 -0.78 5.20 3.38 -0.63 -0.19 115.31 123.48 2gbs h LEU 38 Ca 0.30 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 2gbs h LEU 38 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2gbs h LEU 38 CO -0.39 0.66 -0.55 0.45 0.09 0.00 0.00 178.44 178.71 2gbs h HIS 39 N 1.09 0.22 0.00 1.13 3.86 -0.95 -2.82 115.15 117.67 2gbs h HIS 39 Ca 0.31 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 2gbs h HIS 39 Cb -0.09 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2gbs h HIS 39 CO -0.02 0.69 -0.38 0.52 0.86 0.00 0.00 177.93 179.60 2gbs h MET 40 N 0.14 0.00 -0.25 2.45 2.86 0.05 -2.29 114.93 117.89 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 1.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 2gbs h MET 40 CO 0.08 0.38 -0.10 0.28 1.06 0.00 0.00 176.91 178.61 2gbs h VAL 41 N 0.00 1.21 -0.00 -2.22 2.07 -0.81 -2.41 116.25 114.09 2gbs h VAL 41 Ca -0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2gbs h VAL 41 Cb 0.81 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2gbs h VAL 41 CO 0.05 0.29 -0.17 0.00 0.02 0.00 0.00 177.57 177.76 2gbs n ALA 42 N -2.48 2.82 -2.15 1.67 0.00 -0.89 -4.81 120.51 114.67 2gbs n ALA 42 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 2gbs n ALA 42 Cb 0.29 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 2gbs n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2gbs s MET 43 N -2.73 4.24 0.30 0.00 -1.94 -0.91 -5.01 119.30 113.25 2gbs s MET 43 Ca 0.21 2.04 0.08 0.00 -1.71 0.00 0.00 55.69 56.31 2gbs s MET 43 Cb 0.19 -3.72 -0.04 0.00 2.01 0.00 0.00 34.83 33.27 2gbs s MET 43 CO 0.54 -0.69 0.11 1.03 -0.01 0.00 0.00 175.02 176.00 2gbs s ARG 44 N 3.03 2.47 0.16 2.03 0.52 -1.26 -3.75 118.95 122.15 2gbs s ARG 44 Ca 0.67 -1.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.18 2gbs s ARG 44 Cb -0.32 -2.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.80 2gbs s ARG 44 CO 0.27 0.25 1.44 0.50 0.02 0.00 0.00 175.30 177.77 2gbs s ARG 45 N -3.80 4.29 0.00 3.54 3.52 -1.26 -1.93 118.95 123.32 2gbs s ARG 45 Ca 0.35 2.18 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 2gbs s ARG 45 Cb -0.05 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2gbs s ARG 45 CO 0.22 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 2gbs n GLY 46 N 3.25 0.66 3.74 8.12 0.00 0.90 -4.15 105.19 117.70 2gbs n GLY 46 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.74 7.41 -0.07 1.61 1.11 -0.81 -0.61 116.67 122.57 2gbs s ASP 47 Ca 0.00 2.01 0.05 0.00 0.18 0.00 0.00 52.55 54.79 2gbs s ASP 47 Cb 0.00 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.38 2gbs s ASP 47 CO 0.00 -0.09 -0.24 -0.13 1.18 0.00 0.00 175.17 175.90 2gbs s ARG 48 N -0.60 2.65 0.25 8.23 0.52 -0.31 -0.19 118.95 129.49 2gbs s ARG 48 Ca 0.46 -0.88 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 2gbs s ARG 48 Cb -0.27 -2.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 2gbs s ARG 48 CO 0.34 0.36 -0.07 0.00 0.02 0.00 0.00 175.30 175.95 2gbs s ALA 49 N -0.11 2.12 -0.14 2.13 0.00 0.72 -1.40 121.76 125.08 2gbs s ALA 49 Ca -0.05 -1.80 -0.20 0.00 0.00 0.00 0.00 51.96 49.91 2gbs s ALA 49 Cb -0.14 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2gbs s ALA 49 CO 0.04 -0.08 0.57 -0.06 0.00 0.00 0.00 175.76 176.23 2gbs s PHE 50 N -3.11 3.47 -0.76 0.00 0.08 -0.15 -0.91 117.98 116.60 2gbs s PHE 50 Ca 0.27 0.95 -0.24 0.00 0.12 0.00 0.00 56.93 58.04 2gbs s PHE 50 Cb 0.03 -2.68 0.06 0.00 -0.57 0.00 0.00 43.02 39.86 2gbs s PHE 50 CO 0.10 0.03 1.16 -0.47 -0.10 0.00 0.00 175.22 175.93 2gbs s TYR 51 N 1.13 2.56 -0.22 0.36 5.04 0.41 -1.75 117.35 124.88 2gbs s TYR 51 Ca 0.29 -0.49 -0.07 0.00 -2.44 0.00 0.00 57.07 54.35 2gbs s TYR 51 Cb -0.16 -4.47 -0.03 0.00 0.35 0.00 0.00 41.96 37.65 2gbs s TYR 51 CO 0.12 -1.83 0.06 -0.47 -1.34 0.00 0.00 175.55 172.09 2gbs s TYR 52 N 4.65 3.14 -0.34 4.97 5.04 -0.70 -1.78 117.35 132.32 2gbs s TYR 52 Ca 0.31 -0.21 -0.29 0.00 -2.44 0.00 0.00 57.07 54.44 2gbs s TYR 52 Cb -0.10 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 40.08 2gbs s TYR 52 CO 0.07 -0.13 1.09 -1.01 -1.34 0.00 0.00 175.55 174.23 2gbs s HIS 53 N 1.03 3.10 0.50 4.97 3.76 -0.07 -0.29 115.29 128.29 2gbs s HIS 53 Ca 0.04 1.12 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 2gbs s HIS 53 Cb -0.14 -3.81 0.01 0.00 1.11 0.00 0.00 32.58 29.75 2gbs s HIS 53 CO 0.03 -0.85 0.73 0.45 -0.85 0.00 0.00 174.74 174.25 2gbs s SER 54 N 1.78 5.58 0.00 1.40 0.15 -0.02 -1.03 113.70 121.56 2gbs s SER 54 Ca 0.46 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2gbs s SER 54 Cb -0.11 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2gbs s SER 54 CO 0.18 -0.91 0.00 -3.20 1.20 0.00 0.00 173.24 170.50 2gbs n ASN 55 N -2.23 0.00 -4.43 5.45 2.85 -1.26 -4.16 115.26 111.49 2gbs n ASN 55 Ca 0.04 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.20 2gbs n ASN 55 Cb 0.58 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.47 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2gbs s GLU 56 N 0.00 2.24 0.00 1.20 2.56 -1.26 -4.74 118.70 118.70 2gbs s GLU 56 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.97 54.11 2gbs s GLU 56 Cb 0.00 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.91 2gbs s GLU 56 CO 0.00 0.58 0.00 0.41 -0.56 0.00 0.00 175.26 175.69 2gbs n GLY 57 N 2.07 2.06 3.61 -1.50 0.00 -1.26 -4.71 105.19 105.46 2gbs n GLY 57 Ca -0.17 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2gbs n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 58 N 0.00 -2.88 -3.86 1.61 5.02 -0.20 -4.67 118.16 113.18 2gbs n LYS 58 Ca 0.00 0.60 -0.11 0.00 -2.02 0.00 0.00 58.31 56.78 2gbs n LYS 58 Cb 0.00 -4.88 -0.10 0.00 -0.02 0.00 0.00 35.03 30.02 2gbs n LYS 58 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2gbs s GLU 59 N -5.67 0.44 -0.36 1.97 -1.05 -1.20 -0.87 118.70 111.96 2gbs s GLU 59 Ca 0.28 -0.29 -0.19 0.00 -0.15 0.00 0.00 54.97 54.61 2gbs s GLU 59 Cb -0.08 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 2gbs s GLU 59 CO 0.82 -0.10 0.56 0.42 0.95 0.00 0.00 175.26 177.91 2gbs s ILE 60 N -1.14 4.96 -0.03 1.83 1.01 0.98 -0.89 121.20 127.92 2gbs s ILE 60 Ca -0.12 0.35 0.12 0.00 0.00 0.00 0.00 60.65 61.00 2gbs s ILE 60 Cb -0.07 -4.03 -0.19 0.00 0.01 0.00 0.00 42.46 38.19 2gbs s ILE 60 CO 0.01 -0.30 0.25 1.33 0.00 0.00 0.00 174.94 176.23 2gbs n VAL 61 N 5.52 0.10 -3.69 2.92 0.24 -0.73 -0.62 118.33 122.07 2gbs n VAL 61 Ca -0.03 -0.31 -0.06 0.00 -2.04 0.00 0.00 64.34 61.89 2gbs n VAL 61 Cb 0.49 0.10 0.02 0.00 -1.47 0.00 0.00 33.84 32.98 2gbs n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gbs n GLY 62 N 1.85 1.06 3.39 7.63 0.00 -1.25 -0.50 105.19 117.37 2gbs n GLY 62 Ca -0.04 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 2gbs n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbs s ILE 63 N -2.24 2.86 0.22 -0.61 1.01 -0.69 -0.45 121.20 121.30 2gbs s ILE 63 Ca 0.14 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2gbs s ILE 63 Cb -0.04 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2gbs s ILE 63 CO 0.08 0.56 -0.10 0.00 0.00 0.00 0.00 174.94 175.48 2gbs s ALA 64 N -0.20 2.92 0.00 9.38 0.00 -0.09 -0.50 121.76 133.28 2gbs s ALA 64 Ca -0.00 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.39 2gbs s ALA 64 Cb -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2gbs s ALA 64 CO 0.03 0.39 -0.09 -2.00 0.00 0.00 0.00 175.76 174.08 2gbs s GLU 65 N -3.11 0.74 -0.69 0.00 2.12 -0.37 -0.20 118.70 117.19 2gbs s GLU 65 Ca 0.27 -0.40 -0.27 0.00 0.36 0.00 0.00 54.97 54.92 2gbs s GLU 65 Cb -0.08 -0.70 0.03 0.00 0.26 0.00 0.00 34.13 33.64 2gbs s GLU 65 CO 0.16 0.19 1.25 0.42 -0.54 0.00 0.00 175.26 176.73 2gbs s ILE 66 N -0.36 3.82 -2.51 -3.70 -1.09 0.73 -1.87 121.20 116.22 2gbs s ILE 66 Ca 0.02 0.56 0.23 0.00 -2.23 0.00 0.00 60.65 59.23 2gbs s ILE 66 Cb -0.04 -4.86 0.41 0.00 -1.58 0.00 0.00 42.46 36.39 2gbs s ILE 66 CO -0.00 -1.69 1.48 2.30 -1.23 0.00 0.00 174.94 175.79 2gbs n ILE 67 N 6.47 0.23 -3.57 2.92 -5.35 -0.94 -0.07 119.36 119.05 2gbs n ILE 67 Ca 0.05 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.97 2gbs n ILE 67 Cb 0.49 0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 39.10 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 -1.77 0.37 0.84 6.28 3.52 -1.23 -4.94 118.95 122.02 2gbs s ARG 68 Ca 0.34 0.99 -0.10 0.00 -0.13 0.00 0.00 55.73 56.83 2gbs s ARG 68 Cb 0.20 0.26 0.10 0.00 -1.56 0.00 0.00 34.95 33.95 2gbs s ARG 68 CO 0.30 -0.34 1.11 -1.21 -0.81 0.00 0.00 175.30 174.35 2gbs s GLU 69 N 2.65 1.71 -0.30 5.12 2.02 -1.26 -3.04 118.70 125.60 2gbs s GLU 69 Ca 0.02 1.30 -0.39 0.00 0.02 0.00 0.00 54.97 55.93 2gbs s GLU 69 Cb -0.13 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 32.13 2gbs s GLU 69 CO -0.15 -2.07 1.90 0.00 0.02 0.00 0.00 175.26 174.96 2gbs n ALA 70 N -3.83 0.24 -2.44 5.21 0.00 -1.25 -4.76 120.51 113.68 2gbs n ALA 70 Ca 0.10 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 2gbs n ALA 70 Cb 0.53 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 2gbs n ALA 70 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2gbs s TYR 71 N 4.76 1.16 0.27 0.00 1.13 0.15 -4.90 117.35 119.93 2gbs s TYR 71 Ca 1.03 -0.65 -0.30 0.00 -1.41 0.00 0.00 57.07 55.74 2gbs s TYR 71 Cb -1.02 -0.62 -0.14 0.00 -1.10 0.00 0.00 41.96 39.08 2gbs s TYR 71 CO 0.61 0.04 1.21 -0.35 -2.51 0.00 0.00 175.55 174.54 2gbs n PRO 72 N 0.42 1.68 -1.59 -3.49 -0.04 -1.26 0.02 135.00 130.75 2gbs n PRO 72 Ca -0.15 0.59 -0.44 0.00 -0.04 0.00 0.00 63.50 63.47 2gbs n PRO 72 Cb 0.58 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 2gbs n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gbs n ASP 73 N 1.49 1.16 0.00 3.54 9.92 -0.91 -4.65 116.55 127.10 2gbs n ASP 73 Ca 0.10 1.14 0.03 0.00 -0.53 0.00 0.00 54.79 55.53 2gbs n ASP 73 Cb 0.32 -1.29 0.16 0.00 -0.64 0.00 0.00 41.12 39.67 2gbs n ASP 73 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2gbs n PRO 74 N 0.61 0.05 0.00 -0.24 -0.04 -1.26 -0.62 135.00 133.50 2gbs n PRO 74 Ca 0.10 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2gbs n PRO 74 Cb 0.34 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.37 2gbs n PRO 74 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2gbs n THR 75 N -1.39 0.00 -4.40 0.52 5.66 -1.26 -5.00 114.28 108.41 2gbs n THR 75 Ca 0.02 -0.50 -0.20 0.00 -3.05 0.00 0.00 64.05 60.33 2gbs n THR 75 Cb 0.07 1.35 -0.10 0.00 -1.55 0.00 0.00 70.33 70.09 2gbs n THR 75 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2gbs s ASP 76 N -1.42 1.93 -0.10 1.09 2.15 0.21 -5.10 116.67 115.43 2gbs s ASP 76 Ca 0.20 -1.41 -0.07 0.00 0.43 0.00 0.00 52.55 51.69 2gbs s ASP 76 Cb 0.14 0.08 -0.02 0.00 -0.30 0.00 0.00 42.92 42.81 2gbs s ASP 76 CO 0.22 -0.69 -0.14 0.00 -0.17 0.00 0.00 175.17 174.39 2gbs n ALA 77 N -0.62 0.34 -1.69 3.66 0.00 -1.26 -4.58 120.51 116.36 2gbs n ALA 77 Ca -0.02 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2gbs n ALA 77 Cb 0.66 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 2gbs n ALA 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gbs n SER 78 N -3.77 -0.38 -3.95 0.00 7.64 -1.26 -4.77 113.62 107.14 2gbs n SER 78 Ca -0.05 -0.77 -0.40 0.00 1.01 0.00 0.00 58.87 58.66 2gbs n SER 78 Cb 0.20 0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.51 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gbs n GLY 79 N 0.00 4.98 3.81 0.23 0.00 -1.26 -4.76 105.19 108.19 2gbs n GLY 79 Ca -0.11 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.24 2gbs n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 80 N 1.41 0.00 -2.55 1.61 4.76 -1.26 -4.94 118.16 117.19 2gbs n LYS 80 Ca 0.26 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.27 2gbs n LYS 80 Cb 0.35 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.52 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2gbs s PHE 81 N -0.14 2.90 -0.06 2.13 0.08 -1.26 -5.00 117.98 116.63 2gbs s PHE 81 Ca 0.00 0.96 0.01 0.00 0.12 0.00 0.00 56.93 58.02 2gbs s PHE 81 Cb 0.00 -3.97 0.02 0.00 -0.57 0.00 0.00 43.02 38.50 2gbs s PHE 81 CO 0.00 -1.22 -0.06 0.14 -0.10 0.00 0.00 175.22 173.98 2gbs s VAL 82 N 4.15 0.76 0.30 -0.44 -7.23 -1.26 -2.14 120.40 114.54 2gbs s VAL 82 Ca 0.50 -0.21 0.11 0.00 -1.81 0.00 0.00 61.98 60.56 2gbs s VAL 82 Cb -0.12 -0.77 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 2gbs s VAL 82 CO 0.22 0.29 -0.15 0.00 -0.31 0.00 0.00 175.10 175.15 2gbs s VAL 84 N -2.54 3.03 -0.29 0.00 -7.23 -1.26 -0.67 120.40 111.44 2gbs s VAL 84 Ca 0.31 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 2gbs s VAL 84 Cb -0.02 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2gbs s VAL 84 CO 0.16 -0.23 0.08 -0.62 -0.31 0.00 0.00 175.10 174.17 2gbs s ASP 85 N -3.16 5.11 0.01 4.85 2.15 -1.17 -0.20 116.67 124.27 2gbs s ASP 85 Ca 0.27 -0.61 0.03 0.00 0.43 0.00 0.00 52.55 52.67 2gbs s ASP 85 Cb -0.07 -1.89 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 2gbs s ASP 85 CO 0.16 -0.16 -0.05 0.27 -0.17 0.00 0.00 175.17 175.22 2gbs s ILE 86 N 1.52 3.78 0.07 4.11 -4.36 0.05 -2.21 121.20 124.17 2gbs s ILE 86 Ca 0.03 -0.76 0.08 0.00 -0.26 0.00 0.00 60.65 59.75 2gbs s ILE 86 Cb -0.17 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 2gbs s ILE 86 CO 0.03 0.37 -0.23 -1.59 0.24 0.00 0.00 174.94 173.76 2gbs s LYS 87 N -1.52 1.39 0.16 0.37 -2.85 -0.78 -1.11 119.74 115.40 2gbs s LYS 87 Ca 0.18 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 53.75 2gbs s LYS 87 Cb -0.11 -1.62 -0.08 0.00 -2.06 0.00 0.00 37.83 33.96 2gbs s LYS 87 CO 0.09 0.40 1.31 0.00 0.10 0.00 0.00 175.35 177.24 2gbs s ALA 88 N -0.94 3.52 0.00 0.59 0.00 -1.23 -1.23 121.76 122.47 2gbs s ALA 88 Ca 0.09 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2gbs s ALA 88 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2gbs s ALA 88 CO 0.03 -0.53 0.00 -3.47 0.00 0.00 0.00 175.76 171.79 2gbs n ASP 89 N 3.08 0.00 -3.70 0.00 2.03 0.35 -4.58 116.55 113.73 2gbs n ASP 89 Ca 0.08 0.03 -0.14 0.00 0.52 0.00 0.00 54.79 55.27 2gbs n ASP 89 Cb 0.43 -0.21 -0.09 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.41 0.66 1.04 -0.67 -2.85 -1.23 -5.02 119.74 111.27 2gbs s LYS 90 Ca 0.00 0.30 -0.17 0.00 -1.00 0.00 0.00 55.97 55.09 2gbs s LYS 90 Cb 0.00 0.31 0.24 0.00 -2.06 0.00 0.00 37.83 36.32 2gbs s LYS 90 CO 0.00 -0.15 1.29 -1.25 0.10 0.00 0.00 175.35 175.34 2gbs s PRO 91 N -0.51 0.00 0.34 1.78 0.04 -1.26 -1.70 135.00 133.68 2gbs s PRO 91 Ca -0.06 -0.41 -0.02 0.00 0.04 0.00 0.00 61.00 60.55 2gbs s PRO 91 Cb -0.03 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2gbs s PRO 91 CO 0.03 -2.84 0.57 -0.51 0.04 0.00 0.00 177.00 174.29 2gbs s LEU 92 N -6.19 3.99 0.18 -3.56 1.43 0.35 -4.77 118.68 110.11 2gbs s LEU 92 Ca 0.75 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2gbs s LEU 92 Cb -0.04 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.80 2gbs s LEU 92 CO 0.54 -0.28 1.44 0.50 0.23 0.00 0.00 176.35 178.78 2gbs h LYS 93 N 1.05 0.47 -3.76 1.70 3.11 -1.74 -3.41 116.57 113.98 2gbs h LYS 93 Ca -0.49 -0.36 -0.49 0.00 -2.81 0.00 0.00 60.65 56.50 2gbs h LYS 93 Cb 1.21 0.07 -0.39 0.00 -1.00 0.00 0.00 32.23 32.12 2gbs h LYS 93 CO 0.63 0.99 -0.77 0.99 -2.81 0.00 0.00 179.45 178.47 2gbs s THR 94 N -3.72 0.60 0.13 1.00 2.01 0.81 -4.95 115.64 111.53 2gbs s THR 94 Ca -0.06 -0.28 -0.33 0.00 0.31 0.00 0.00 61.69 61.33 2gbs s THR 94 Cb 0.10 -0.87 -0.12 0.00 0.01 0.00 0.00 72.50 71.62 2gbs s THR 94 CO 0.84 0.08 1.73 -2.65 -0.69 0.00 0.00 174.62 173.93 2gbs n PRO 95 N 5.05 2.51 -2.95 4.92 -0.02 -1.26 -4.44 135.00 138.81 2gbs n PRO 95 Ca -0.09 0.91 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 2gbs n PRO 95 Cb 0.49 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.18 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 1.87 4.50 0.81 -1.45 1.01 0.21 -4.87 120.40 122.49 2gbs s VAL 96 Ca 0.80 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 2gbs s VAL 96 Cb -0.58 -4.61 0.08 0.00 0.00 0.00 0.00 36.38 31.27 2gbs s VAL 96 CO 0.38 -1.33 1.09 0.42 0.00 0.00 0.00 175.10 175.66 2gbs s THR 97 N 3.56 3.10 0.39 3.92 -4.23 -1.26 -0.02 115.64 121.10 2gbs s THR 97 Ca 0.18 0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.12 2gbs s THR 97 Cb -0.19 -3.02 0.22 0.00 1.34 0.00 0.00 72.50 70.84 2gbs s THR 97 CO 0.09 -0.46 1.99 0.25 -0.54 0.00 0.00 174.62 175.95 2gbs h LEU 98 N -1.16 0.44 -1.02 4.79 5.85 -1.27 0.39 115.31 123.33 2gbs h LEU 98 Ca -0.47 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 2gbs h LEU 98 Cb 1.26 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 2gbs h LEU 98 CO 0.57 0.40 0.19 0.00 -0.34 0.00 0.00 178.44 179.26 2gbs h ALA 99 N 1.67 1.21 -0.26 1.25 0.00 -1.92 -1.69 119.26 119.51 2gbs h ALA 99 Ca 0.12 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2gbs h ALA 99 Cb 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2gbs h ALA 99 CO -0.01 0.56 -0.57 0.00 0.00 0.00 0.00 179.25 179.22 2gbs h ALA 100 N 1.33 0.49 -0.71 0.00 0.00 -1.52 -2.95 119.26 115.90 2gbs h ALA 100 Ca 0.20 -0.52 0.08 0.00 0.00 0.00 0.00 54.91 54.66 2gbs h ALA 100 Cb 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2gbs h ALA 100 CO -0.01 0.68 0.38 0.28 0.00 0.00 0.00 179.25 180.59 2gbs h VAL 101 N 0.63 0.91 0.00 0.00 2.07 -0.57 -0.44 116.25 118.84 2gbs h VAL 101 Ca 0.01 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2gbs h VAL 101 Cb 1.17 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2gbs h VAL 101 CO 0.12 0.12 -0.09 0.11 0.02 0.00 0.00 177.57 177.85 2gbs h LYS 102 N 0.68 0.00 0.00 1.57 1.57 -1.25 -1.92 116.57 117.21 2gbs h LYS 102 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2gbs h LYS 102 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2gbs h LYS 102 CO -0.23 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.75 2gbs n ALA 103 N -2.20 2.21 -2.69 3.86 0.00 -0.19 -4.56 120.51 116.95 2gbs n ALA 103 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 2gbs n ALA 103 Cb 0.26 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.08 2.93 0.31 0.00 2.56 -0.72 -4.98 118.70 115.72 2gbs s GLU 104 Ca 0.11 -1.16 0.08 0.00 0.00 0.00 0.00 54.97 54.00 2gbs s GLU 104 Cb 0.14 -3.99 0.83 0.00 2.00 0.00 0.00 34.13 33.12 2gbs s GLU 104 CO 0.54 -0.85 1.74 -1.00 -0.56 0.00 0.00 175.26 175.14 2gbs h PRO 105 N 8.63 0.61 -0.25 4.30 0.13 -1.83 0.59 132.00 144.18 2gbs h PRO 105 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2gbs h PRO 105 Cb 1.11 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2gbs h PRO 105 CO 0.77 0.40 0.00 0.54 -0.23 0.00 0.00 178.00 179.48 2gbs n ARG 106 N -4.86 1.47 -0.11 0.86 1.74 -1.26 -2.66 116.66 111.84 2gbs n ARG 106 Ca 0.26 -0.67 0.04 0.00 -0.77 0.00 0.00 57.85 56.71 2gbs n ARG 106 Cb 0.69 -1.20 0.10 0.00 -1.02 0.00 0.00 32.46 31.03 2gbs n ARG 106 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2gbs n LEU 107 N 0.04 2.57 -0.02 0.55 4.77 0.20 -4.65 117.00 120.47 2gbs n LEU 107 Ca 0.06 -1.97 -0.17 0.00 -0.03 0.00 0.00 56.01 53.89 2gbs n LEU 107 Cb 0.19 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2gbs n LEU 107 CO 0.05 0.64 0.28 0.00 -1.33 0.00 0.00 177.39 177.02 2gbs h ALA 108 N 1.31 0.27 -0.69 -1.18 0.00 -1.55 -3.16 119.26 114.26 2gbs h ALA 108 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2gbs h ALA 108 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2gbs h ALA 108 CO 0.00 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 2gbs n ASP 109 N -4.00 3.85 -4.76 0.00 5.68 -1.26 -4.72 116.55 111.34 2gbs n ASP 109 Ca -0.08 -2.00 -0.37 0.00 -0.50 0.00 0.00 54.79 51.84 2gbs n ASP 109 Cb 0.72 -0.46 0.02 0.00 -1.14 0.00 0.00 41.12 40.27 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 2gbs s MET 110 N -1.09 3.24 0.55 0.11 1.75 -1.20 -4.82 119.30 117.85 2gbs s MET 110 Ca 0.48 1.93 0.27 0.00 -1.25 0.00 0.00 55.69 57.12 2gbs s MET 110 Cb 0.25 -2.16 1.46 0.00 2.84 0.00 0.00 34.83 37.22 2gbs s MET 110 CO 0.33 -1.02 1.97 0.00 -0.65 0.00 0.00 175.02 175.65 2gbs h ALA 111 N 1.38 2.41 -0.12 4.11 0.00 -1.92 0.92 119.26 126.05 2gbs h ALA 111 Ca -0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2gbs h ALA 111 Cb 1.28 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2gbs h ALA 111 CO 0.57 -0.70 -0.09 1.25 0.00 0.00 0.00 179.25 180.28 2gbs h LEU 112 N 0.00 0.16 0.00 0.00 5.85 -1.90 -1.19 115.31 118.23 2gbs h LEU 112 Ca 0.25 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2gbs h LEU 112 Cb 1.10 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2gbs h LEU 112 CO -0.00 0.28 -0.90 0.23 -0.34 0.00 0.00 178.44 177.71 2gbs n MET 113 N -4.33 0.44 0.00 1.25 2.81 0.29 -4.60 117.12 112.98 2gbs n MET 113 Ca -0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2gbs n MET 113 Cb 0.22 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2gbs n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2gbs n LYS 114 N -2.35 0.00 -3.83 0.03 4.76 -0.79 -4.94 118.16 111.05 2gbs n LYS 114 Ca 0.01 0.21 -0.36 0.00 -2.87 0.00 0.00 58.31 55.31 2gbs n LYS 114 Cb 0.49 -0.71 -0.11 0.00 -1.84 0.00 0.00 35.03 32.86 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2gbs s TYR 115 N -0.99 3.21 -0.10 2.13 2.02 -0.52 -4.99 117.35 118.11 2gbs s TYR 115 Ca 0.00 -0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 2gbs s TYR 115 Cb 0.00 -2.19 -0.27 0.00 -0.40 0.00 0.00 41.96 39.09 2gbs s TYR 115 CO 0.00 -0.05 0.51 0.77 -1.57 0.00 0.00 175.55 175.21 2gbs h SER 116 N 7.50 0.42 0.44 2.29 0.02 -1.87 -3.33 113.55 119.02 2gbs h SER 116 Ca -0.37 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 2gbs h SER 116 Cb 1.17 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2gbs h SER 116 CO 0.64 1.71 0.00 0.54 -1.14 0.00 0.00 176.83 178.58 2gbs n ARG 117 N -3.78 0.05 -2.52 3.45 1.74 -1.26 -4.42 116.66 109.92 2gbs n ARG 117 Ca -0.27 0.35 -0.41 0.00 -0.77 0.00 0.00 57.85 56.75 2gbs n ARG 117 Cb 0.96 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 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 -3.40 3.29 0.00 0.55 2.96 -1.25 -4.84 118.68 116.00 2gbs s LEU 118 Ca 0.05 -0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 52.94 2gbs s LEU 118 Cb 0.08 -2.56 -0.21 0.00 0.50 0.00 0.00 46.19 43.99 2gbs s LEU 118 CO 0.25 -1.76 1.14 0.77 -1.32 0.00 0.00 176.35 175.43 2gbs h SER 119 N 10.15 0.44 -3.63 3.68 4.64 -1.90 -3.42 113.55 123.50 2gbs h SER 119 Ca -0.09 -0.70 -0.69 0.00 -0.47 0.00 0.00 61.79 59.84 2gbs h SER 119 Cb 1.04 -0.13 -0.22 0.00 -0.31 0.00 0.00 62.40 62.77 2gbs h SER 119 CO 1.33 1.08 -0.52 -0.69 -0.87 0.00 0.00 176.83 177.16 2gbs s VAL 120 N -3.42 4.75 0.07 0.95 1.01 -1.25 -1.57 120.40 120.92 2gbs s VAL 120 Ca -0.14 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2gbs s VAL 120 Cb 0.03 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2gbs s VAL 120 CO 0.79 -0.08 -0.18 -1.10 0.00 0.00 0.00 175.10 174.53 2gbs s GLN 121 N 1.62 1.98 -0.22 2.72 -0.21 0.35 -4.67 119.66 121.22 2gbs s GLN 121 Ca 0.04 -1.04 -0.24 0.00 0.02 0.00 0.00 55.36 54.13 2gbs s GLN 121 Cb -0.18 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.66 2gbs s GLN 121 CO 0.07 0.52 0.81 -1.25 -2.12 0.00 0.00 175.29 173.32 2gbs s PRO 122 N -1.67 4.21 -0.13 2.91 0.04 -1.26 -0.30 135.00 138.80 2gbs s PRO 122 Ca 0.16 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 2gbs s PRO 122 Cb -0.11 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2gbs s PRO 122 CO 0.07 -0.44 -0.03 0.08 0.04 0.00 0.00 177.00 176.72 2gbs s VAL 123 N 2.58 3.99 0.60 -0.36 1.01 -0.60 -4.94 120.40 122.68 2gbs s VAL 123 Ca 0.35 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2gbs s VAL 123 Cb -0.16 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.51 2gbs s VAL 123 CO 0.09 0.52 0.92 0.42 0.00 0.00 0.00 175.10 177.05 2gbs s THR 124 N 0.01 3.57 0.41 3.92 -4.23 -1.26 -4.24 115.64 113.82 2gbs s THR 124 Ca 0.01 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.61 2gbs s THR 124 Cb -0.13 -3.43 0.26 0.00 1.34 0.00 0.00 72.50 70.54 2gbs s THR 124 CO 0.02 -0.45 2.05 0.00 -0.54 0.00 0.00 174.62 175.71 2gbs h ALA 125 N -0.22 1.70 0.21 3.99 0.00 -1.98 0.19 119.26 123.15 2gbs h ALA 125 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 125 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2gbs h ALA 125 CO 0.61 0.28 -0.10 0.93 0.00 0.00 0.00 179.25 180.96 2gbs h GLU 126 N 0.55 -0.28 -0.48 0.00 4.39 -1.99 0.02 114.58 116.80 2gbs h GLU 126 Ca 0.15 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 2gbs h GLU 126 Cb -0.05 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2gbs h GLU 126 CO -0.03 -0.10 0.15 0.93 -1.16 0.00 0.00 179.01 178.80 2gbs h GLU 127 N -0.39 0.75 0.56 2.33 5.08 -1.82 -1.23 114.58 119.86 2gbs h GLU 127 Ca -0.03 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2gbs h GLU 127 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2gbs h GLU 127 CO 0.05 0.71 -0.51 2.35 -1.00 0.00 0.00 179.01 180.60 2gbs h TRP 128 N 0.65 -1.41 0.00 4.33 2.91 -0.53 -0.55 115.95 121.35 2gbs h TRP 128 Ca 0.16 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.11 2gbs h TRP 128 Cb 0.27 0.54 -0.01 0.00 -0.51 0.00 0.00 29.16 29.45 2gbs h TRP 128 CO 0.01 -0.69 -0.35 0.87 -1.03 0.00 0.00 178.44 177.25 2gbs h LYS 129 N -1.06 0.00 0.19 2.65 1.57 -0.99 -1.19 116.57 117.74 2gbs h LYS 129 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2gbs h LYS 129 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2gbs h LYS 129 CO -0.04 0.35 -0.09 1.25 -0.57 0.00 0.00 179.45 180.36 2gbs h LEU 130 N 0.00 -0.21 -0.85 2.94 5.85 -1.00 -1.59 115.31 120.46 2gbs h LEU 130 Ca -0.00 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 2gbs h LEU 130 Cb 0.63 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2gbs h LEU 130 CO 0.05 0.10 0.04 0.58 -0.34 0.00 0.00 178.44 178.87 2gbs h VAL 131 N -0.54 1.25 0.19 1.05 2.07 -0.90 0.32 116.25 119.67 2gbs h VAL 131 Ca -0.03 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 2gbs h VAL 131 Cb 0.41 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2gbs h VAL 131 CO 0.04 0.36 -0.09 0.00 0.02 0.00 0.00 177.57 177.91 2gbs h LYS 133 N -0.44 0.97 -0.67 0.00 3.64 -1.14 -0.48 116.57 118.45 2gbs h LYS 133 Ca -0.03 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 2gbs h LYS 133 Cb 0.34 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2gbs h LYS 133 CO 0.04 0.79 0.21 1.98 -2.27 0.00 0.00 179.45 180.21 2gbs h MET 134 N 0.95 1.02 -1.07 1.90 4.05 -0.18 -2.51 114.93 119.09 2gbs h MET 134 Ca 0.22 -0.20 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 2gbs h MET 134 Cb 0.19 -0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 30.76 2gbs h MET 134 CO -0.02 0.87 0.16 0.41 0.23 0.00 0.00 176.91 178.56 2gbs n GLY 135 N -0.85 2.66 2.21 1.39 0.00 0.62 -4.78 105.19 106.43 2gbs n GLY 135 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.18 0.65 3.21 -0.02 0.00 -0.95 -0.13 105.19 108.13 2gbs n GLY 136 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2gbs n GLY 136 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gbs n LEU 137 N 0.00 5.83 -2.38 0.99 7.94 -0.26 -4.35 117.00 124.77 2gbs n LEU 137 Ca 0.00 -4.46 -0.00 0.00 -1.11 0.00 0.00 56.01 50.44 2gbs n LEU 137 Cb 0.00 -1.58 0.05 0.00 0.53 0.00 0.00 43.42 42.42 2gbs n LEU 137 CO 0.00 0.94 0.18 0.00 -1.11 0.00 0.00 177.39 177.40 2gbs n LEU 138 N 5.28 0.55 -4.86 -1.96 -0.00 -1.26 -3.85 117.00 110.91 2gbs n LEU 138 Ca 0.40 -2.78 -0.29 0.00 -0.00 0.00 0.00 56.01 53.34 2gbs n LEU 138 Cb 0.40 0.26 0.11 0.00 -0.00 0.00 0.00 43.42 44.19 2gbs n LEU 138 CO 0.73 1.12 0.76 -1.83 -0.00 0.00 0.00 177.39 178.17 2gbs s GLU 139 N -1.86 1.66 -0.95 1.47 4.04 -1.26 -4.96 118.70 116.84 2gbs s GLU 139 Ca 0.22 0.19 -0.21 0.00 0.04 0.00 0.00 54.97 55.21 2gbs s GLU 139 Cb 0.33 -1.91 0.09 0.00 0.02 0.00 0.00 34.13 32.67 2gbs s GLU 139 CO -0.08 -1.82 1.25 -1.58 -1.84 0.00 0.00 175.26 171.19 2gbs s HIS 140 N -3.46 2.86 0.17 4.83 5.65 -1.26 -4.99 115.29 119.08 2gbs s HIS 140 Ca 0.63 -1.12 -0.06 0.00 0.25 0.00 0.00 55.06 54.75 2gbs s HIS 140 Cb -0.12 -4.46 -0.06 0.00 -1.18 0.00 0.00 32.58 26.76 2gbs s HIS 140 CO 0.51 -1.68 0.42 -3.38 -0.65 0.00 0.00 174.74 169.95 2gbs s HIS 141 N 3.69 3.46 -1.43 3.88 -3.43 -1.26 -4.99 115.29 115.22 2gbs s HIS 141 Ca 0.38 0.63 0.25 0.00 -0.80 0.00 0.00 55.06 55.52 2gbs s HIS 141 Cb -0.03 -2.07 0.47 0.00 -1.43 0.00 0.00 32.58 29.52 2gbs s HIS 141 CO -0.09 0.39 1.39 0.72 -2.00 0.00 0.00 174.74 175.15 2gbs n HIS 142 N 0.01 0.00 -2.42 0.38 8.25 -1.26 -4.86 115.22 115.32 2gbs n HIS 142 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 2gbs n HIS 142 Cb 0.52 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 2gbs n HIS 142 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2gbs s HIS 143 N -2.73 2.83 -0.13 4.41 3.76 -1.26 -4.88 115.29 117.29 2gbs s HIS 143 Ca 0.17 0.99 -0.00 0.00 -0.15 0.00 0.00 55.06 56.07 2gbs s HIS 143 Cb 0.18 -3.51 -0.24 0.00 1.11 0.00 0.00 32.58 30.12 2gbs s HIS 143 CO 0.63 -1.74 0.31 0.72 -0.85 0.00 0.00 174.74 173.81 2gbs n HIS 144 N 6.63 0.94 -1.01 1.40 -0.00 -1.26 -5.22 115.22 116.70 2gbs n HIS 144 Ca 0.14 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 58.09 2gbs n HIS 144 Cb 0.45 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92