#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs s ALA 2 N 0.00 3.36 -0.04 2.33 0.00 -1.26 -4.89 121.76 121.25 2gbs s ALA 2 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2gbs s ALA 2 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.45 2gbs s ALA 2 CO 0.00 -0.26 -0.12 0.71 0.00 0.00 0.00 175.76 176.08 2gbs s TYR 3 N -2.65 1.32 0.26 0.00 2.02 -1.25 -0.39 117.35 116.66 2gbs s TYR 3 Ca 0.49 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2gbs s TYR 3 Cb -0.10 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 2gbs s TYR 3 CO 0.41 -0.18 0.09 -1.58 -1.57 0.00 0.00 175.55 172.72 2gbs s TRP 4 N 0.34 1.54 -0.11 2.71 0.52 0.38 -0.38 118.94 123.94 2gbs s TRP 4 Ca -0.08 -1.16 0.01 0.00 0.02 0.00 0.00 56.10 54.90 2gbs s TRP 4 Cb -0.12 -0.90 0.02 0.00 -1.15 0.00 0.00 33.47 31.31 2gbs s TRP 4 CO 0.02 -0.31 -0.13 -1.17 0.02 0.00 0.00 176.95 175.38 2gbs s LEU 5 N -3.31 1.59 -0.14 2.99 0.20 0.11 -0.03 118.68 120.09 2gbs s LEU 5 Ca 0.37 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.77 2gbs s LEU 5 Cb 0.08 -1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 44.79 2gbs s LEU 5 CO 0.13 -0.03 -0.05 0.68 -0.29 0.00 0.00 176.35 176.80 2gbs s VAL 6 N 1.21 3.81 -0.48 1.68 -7.23 -0.79 -1.04 120.40 117.56 2gbs s VAL 6 Ca -0.03 -0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.55 2gbs s VAL 6 Cb -0.14 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.20 2gbs s VAL 6 CO -0.04 0.52 0.62 -0.75 -0.31 0.00 0.00 175.10 175.14 2gbs s LYS 7 N 0.11 3.16 -0.28 4.82 2.20 -0.77 -2.24 119.74 126.74 2gbs s LYS 7 Ca -0.01 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2gbs s LYS 7 Cb -0.14 -4.05 0.06 0.00 -1.51 0.00 0.00 37.83 32.20 2gbs s LYS 7 CO 0.03 -1.14 -0.06 0.45 -0.36 0.00 0.00 175.35 174.26 2gbs s SER 8 N 2.45 4.60 -0.12 1.43 0.15 -0.44 -4.87 113.70 116.90 2gbs s SER 8 Ca 0.17 -1.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.07 2gbs s SER 8 Cb -0.18 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.50 2gbs s SER 8 CO 0.14 -0.23 1.39 -1.61 1.20 0.00 0.00 173.24 174.12 2gbs s GLU 9 N 1.12 4.22 0.17 5.44 8.01 -1.26 -1.56 118.70 134.84 2gbs s GLU 9 Ca -0.06 1.84 0.14 0.00 0.01 0.00 0.00 54.97 56.90 2gbs s GLU 9 Cb -0.20 -3.81 0.69 0.00 -4.31 0.00 0.00 34.13 26.49 2gbs s GLU 9 CO -0.04 -0.73 1.42 -0.35 0.01 0.00 0.00 175.26 175.57 2gbs n PRO 10 N 6.65 0.08 0.18 0.39 -0.04 -1.24 -1.14 135.00 139.89 2gbs n PRO 10 Ca 0.15 0.52 0.03 0.00 -0.04 0.00 0.00 63.50 64.15 2gbs n PRO 10 Cb 0.44 -1.74 0.39 0.00 -0.04 0.00 0.00 33.50 32.55 2gbs n PRO 10 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2gbs h SER 11 N 0.00 0.04 0.00 3.54 0.02 -1.91 -3.36 113.55 111.87 2gbs h SER 11 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2gbs h SER 11 Cb 0.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2gbs h SER 11 CO 0.00 0.34 -0.13 0.52 -1.14 0.00 0.00 176.83 176.43 2gbs n VAL 12 N -4.16 0.25 -4.08 2.27 0.31 -0.29 -5.03 118.33 107.60 2gbs n VAL 12 Ca -0.02 0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 64.62 2gbs n VAL 12 Cb 0.36 -1.65 -0.12 0.00 -0.91 0.00 0.00 33.84 31.52 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 -1.27 0.72 0.16 3.52 -0.11 -1.12 -5.12 118.94 115.73 2gbs s TRP 13 Ca -0.04 -0.47 -0.00 0.00 1.22 0.00 0.00 56.10 56.81 2gbs s TRP 13 Cb 0.01 -0.43 -0.04 0.00 -1.50 0.00 0.00 33.47 31.50 2gbs s TRP 13 CO 0.05 -0.06 0.06 0.45 -4.62 0.00 0.00 176.95 172.83 2gbs s SER 14 N -1.51 0.48 0.22 5.86 0.15 -1.26 -3.62 113.70 114.02 2gbs s SER 14 Ca -0.08 -1.25 -0.09 0.00 0.70 0.00 0.00 55.95 55.23 2gbs s SER 14 Cb -0.10 0.27 0.25 0.00 -1.71 0.00 0.00 66.02 64.73 2gbs s SER 14 CO 0.01 -0.73 1.83 -0.25 1.20 0.00 0.00 173.24 175.30 2gbs h TRP 15 N 2.76 0.80 -0.80 3.44 2.91 -1.96 -2.66 115.95 120.44 2gbs h TRP 15 Ca -0.36 0.02 0.12 0.00 1.13 0.00 0.00 58.89 59.80 2gbs h TRP 15 Cb 1.21 -0.26 -0.08 0.00 -0.51 0.00 0.00 29.16 29.53 2gbs h TRP 15 CO 0.44 0.42 0.42 -0.44 -1.03 0.00 0.00 178.44 178.24 2gbs h ASP 16 N 0.81 0.54 0.83 2.65 3.32 -1.99 0.19 116.42 122.77 2gbs h ASP 16 Ca 0.31 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 2gbs h ASP 16 Cb 0.12 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2gbs h ASP 16 CO -0.15 0.28 -0.71 1.56 -1.72 0.00 0.00 179.24 178.49 2gbs h GLN 17 N 0.66 0.00 0.00 3.56 4.20 -1.91 -2.28 115.11 119.34 2gbs h GLN 17 Ca 0.41 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.09 2gbs h GLN 17 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2gbs h GLN 17 CO -0.30 0.71 -0.16 0.37 -0.67 0.00 0.00 178.83 178.78 2gbs h GLN 18 N 0.00 0.00 -0.26 1.46 5.75 -0.88 -1.24 115.11 119.94 2gbs h GLN 18 Ca -0.01 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.32 2gbs h GLN 18 Cb 1.32 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.87 2gbs h GLN 18 CO 0.09 0.16 -0.54 0.28 -2.65 0.00 0.00 178.83 176.17 2gbs h VAL 19 N 0.00 1.29 -0.39 2.39 2.07 -0.44 0.00 116.25 121.16 2gbs h VAL 19 Ca -0.00 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 2gbs h VAL 19 Cb 1.04 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 2gbs h VAL 19 CO 0.02 0.56 0.02 0.00 0.02 0.00 0.00 177.57 178.19 2gbs h ALA 20 N 0.79 1.30 -0.58 1.67 0.00 -1.02 -1.05 119.26 120.37 2gbs h ALA 20 Ca 0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2gbs h ALA 20 Cb 1.13 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2gbs h ALA 20 CO 0.11 0.48 0.12 1.63 0.00 0.00 0.00 179.25 181.59 2gbs n LYS 21 N -4.27 3.98 0.29 0.00 5.02 -0.50 -4.48 118.16 118.20 2gbs n LYS 21 Ca 0.02 -2.75 0.18 0.00 -2.02 0.00 0.00 58.31 53.74 2gbs n LYS 21 Cb 0.25 -2.15 0.82 0.00 -0.02 0.00 0.00 35.03 33.93 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbs h GLY 22 N 3.59 0.00 0.28 0.72 0.00 0.40 0.30 103.07 108.36 2gbs h GLY 22 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2gbs h GLY 22 CO 0.54 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 176.30 2gbs n ALA 23 N -2.10 4.26 -0.00 3.60 0.00 -1.26 -4.34 120.51 120.65 2gbs n ALA 23 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.91 2gbs n ALA 23 Cb 0.25 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.39 1.63 0.00 0.00 0.00 -0.42 -5.16 120.51 115.17 2gbs n ALA 24 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2gbs n ALA 24 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 2.52 2.92 3.06 0.00 0.00 0.92 -4.92 105.19 109.70 2gbs n GLY 25 Ca -0.02 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.90 0.31 0.09 1.61 2.12 0.52 -4.90 118.70 114.55 2gbs s GLU 26 Ca 0.00 -0.06 -0.27 0.00 0.36 0.00 0.00 54.97 55.00 2gbs s GLU 26 Cb 0.00 0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.47 2gbs s GLU 26 CO 0.00 -0.06 0.85 0.00 -0.54 0.00 0.00 175.26 175.51 2gbs s ALA 27 N -0.56 3.33 -1.12 6.30 0.00 -1.26 -1.10 121.76 127.34 2gbs s ALA 27 Ca -0.06 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 2gbs s ALA 27 Cb -0.04 -3.11 0.14 0.00 0.00 0.00 0.00 23.12 20.11 2gbs s ALA 27 CO 0.01 0.06 1.37 -0.46 0.00 0.00 0.00 175.76 176.73 2gbs s TRP 28 N -0.18 3.26 0.22 0.00 -0.11 0.69 -4.96 118.94 117.86 2gbs s TRP 28 Ca 0.42 -1.78 0.09 0.00 1.22 0.00 0.00 56.10 56.04 2gbs s TRP 28 Cb -0.22 -4.37 -0.04 0.00 -1.50 0.00 0.00 33.47 27.34 2gbs s TRP 28 CO 0.26 -1.50 -0.04 -0.08 -4.62 0.00 0.00 176.95 170.97 2gbs s THR 29 N 2.37 3.36 0.00 5.86 -1.32 -1.26 -3.94 115.64 120.72 2gbs s THR 29 Ca 0.41 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 2gbs s THR 29 Cb -0.03 -2.73 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 2gbs s THR 29 CO -0.03 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 2gbs n GLY 30 N -0.41 1.61 3.84 6.08 0.00 -1.26 -5.10 105.19 109.95 2gbs n GLY 30 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 5.09 0.00 1.61 -7.23 -1.26 -4.96 120.40 111.65 2gbs s VAL 31 Ca 0.00 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 2gbs s VAL 31 Cb 0.00 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2gbs s VAL 31 CO 0.00 0.58 0.06 -1.14 -0.31 0.00 0.00 175.10 174.28 2gbs n ARG 32 N 1.91 4.04 -2.14 4.82 0.63 -1.26 -4.90 116.66 119.75 2gbs n ARG 32 Ca -0.14 -0.06 -0.43 0.00 -0.92 0.00 0.00 57.85 56.30 2gbs n ARG 32 Cb 0.53 -0.44 -0.02 0.00 0.45 0.00 0.00 32.46 32.97 2gbs n ARG 32 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2gbs s ASN 33 N -0.59 6.38 0.16 6.15 -0.87 -1.26 -4.89 114.94 120.02 2gbs s ASN 33 Ca 0.00 1.54 -0.15 0.00 -1.57 0.00 0.00 52.86 52.68 2gbs s ASN 33 Cb 0.00 -2.53 0.08 0.00 -0.02 0.00 0.00 41.25 38.78 2gbs s ASN 33 CO 0.00 -1.27 1.76 -0.74 -2.57 0.00 0.00 177.10 174.28 2gbs h HIS 34 N 10.69 0.26 -0.55 2.20 2.76 -1.99 0.23 115.15 128.76 2gbs h HIS 34 Ca -0.33 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.83 2gbs h HIS 34 Cb 1.15 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 2gbs h HIS 34 CO 0.91 0.11 0.23 0.77 -1.30 0.00 0.00 177.93 178.66 2gbs h SER 35 N 0.31 0.74 -0.46 3.26 0.02 -1.98 -1.95 113.55 113.49 2gbs h SER 35 Ca 0.18 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2gbs h SER 35 Cb 0.15 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2gbs h SER 35 CO -0.17 0.69 0.21 0.00 -1.14 0.00 0.00 176.83 176.42 2gbs h ALA 36 N 1.08 0.59 -0.55 3.77 0.00 -1.64 -2.54 119.26 119.97 2gbs h ALA 36 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2gbs h ALA 36 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2gbs h ALA 36 CO -0.02 0.17 0.30 -0.22 0.00 0.00 0.00 179.25 179.48 2gbs h LYS 37 N 0.60 0.57 -0.75 0.00 3.64 -0.29 -0.42 116.57 119.92 2gbs h LYS 37 Ca 0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2gbs h LYS 37 Cb 0.13 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2gbs h LYS 37 CO -0.02 0.38 0.45 -0.07 -2.27 0.00 0.00 179.45 177.92 2gbs h LEU 38 N 0.59 0.88 -0.73 5.20 3.38 -1.14 -1.18 115.31 122.32 2gbs h LEU 38 Ca 0.23 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2gbs h LEU 38 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2gbs h LEU 38 CO -0.14 0.68 -0.63 0.45 0.09 0.00 0.00 178.44 178.89 2gbs h HIS 39 N 1.02 0.02 0.00 1.13 3.86 -0.94 -2.90 115.15 117.35 2gbs h HIS 39 Ca 0.27 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 2gbs h HIS 39 Cb -0.05 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2gbs h HIS 39 CO 0.00 0.64 -0.17 0.52 0.86 0.00 0.00 177.93 179.78 2gbs h MET 40 N 0.01 0.00 0.00 2.45 2.86 0.02 -2.52 114.93 117.75 2gbs h MET 40 Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2gbs h MET 40 Cb 1.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2gbs h MET 40 CO 0.08 0.17 -0.43 0.28 1.06 0.00 0.00 176.91 178.07 2gbs h VAL 41 N 0.00 1.09 0.00 -2.22 2.07 -1.05 -2.80 116.25 113.34 2gbs h VAL 41 Ca -0.00 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2gbs h VAL 41 Cb 0.83 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2gbs h VAL 41 CO 0.02 0.43 -0.25 0.00 0.02 0.00 0.00 177.57 177.79 2gbs n ALA 42 N -2.36 2.76 -2.19 1.67 0.00 -0.96 -4.79 120.51 114.65 2gbs n ALA 42 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2gbs n ALA 42 Cb 0.51 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.05 3.95 0.45 0.00 -1.94 -1.06 -4.99 119.30 112.66 2gbs s MET 43 Ca 0.11 1.69 0.06 0.00 -1.71 0.00 0.00 55.69 55.84 2gbs s MET 43 Cb 0.16 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 2gbs s MET 43 CO 0.62 -1.10 0.12 -0.98 -0.01 0.00 0.00 175.02 173.67 2gbs s ARG 44 N 4.30 2.14 0.03 2.03 1.70 -1.26 -3.48 118.95 124.42 2gbs s ARG 44 Ca 0.67 -2.05 -0.30 0.00 -0.47 0.00 0.00 55.73 53.57 2gbs s ARG 44 Cb -0.25 -1.80 -0.07 0.00 -0.57 0.00 0.00 34.95 32.26 2gbs s ARG 44 CO 0.26 -0.20 1.52 0.50 -1.08 0.00 0.00 175.30 176.30 2gbs s ARG 45 N -3.88 4.24 0.00 3.89 3.52 -1.26 -1.77 118.95 123.68 2gbs s ARG 45 Ca 0.31 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 2gbs s ARG 45 Cb 0.05 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2gbs s ARG 45 CO 0.17 -0.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 2gbs n GLY 46 N 3.82 0.56 3.88 8.12 0.00 0.83 -4.73 105.19 117.66 2gbs n GLY 46 Ca 0.14 0.00 -0.30 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 -2.68 6.37 0.07 1.61 1.01 -0.73 -1.00 116.67 121.32 2gbs s ASP 47 Ca 0.00 1.27 0.07 0.00 0.71 0.00 0.00 52.55 54.59 2gbs s ASP 47 Cb 0.00 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 2gbs s ASP 47 CO 0.00 -0.66 -0.18 -0.13 0.21 0.00 0.00 175.17 174.42 2gbs s ARG 48 N -4.61 1.04 0.06 8.23 0.52 0.48 -0.62 118.95 124.04 2gbs s ARG 48 Ca 0.53 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2gbs s ARG 48 Cb -0.10 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 2gbs s ARG 48 CO 0.43 0.27 -0.08 0.00 0.02 0.00 0.00 175.30 175.95 2gbs s ALA 49 N -1.09 0.69 -0.18 2.13 0.00 0.42 -0.47 121.76 123.25 2gbs s ALA 49 Ca 0.03 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2gbs s ALA 49 Cb -0.09 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2gbs s ALA 49 CO 0.03 -0.07 0.60 -0.06 0.00 0.00 0.00 175.76 176.26 2gbs s PHE 50 N -1.93 3.40 -0.68 0.00 0.08 0.96 -0.29 117.98 119.52 2gbs s PHE 50 Ca -0.04 0.91 -0.25 0.00 0.12 0.00 0.00 56.93 57.67 2gbs s PHE 50 Cb -0.06 -2.75 0.05 0.00 -0.57 0.00 0.00 43.02 39.69 2gbs s PHE 50 CO -0.01 -0.11 1.11 -0.47 -0.10 0.00 0.00 175.22 175.64 2gbs s TYR 51 N 1.66 2.52 -0.22 0.36 6.14 0.19 -1.88 117.35 126.13 2gbs s TYR 51 Ca 0.28 -0.24 -0.09 0.00 0.64 0.00 0.00 57.07 57.66 2gbs s TYR 51 Cb -0.16 -4.42 -0.04 0.00 0.42 0.00 0.00 41.96 37.75 2gbs s TYR 51 CO 0.11 -1.80 0.11 -0.47 0.64 0.00 0.00 175.55 174.14 2gbs s TYR 52 N 4.80 3.26 -0.59 4.97 5.04 -0.95 -2.11 117.35 131.77 2gbs s TYR 52 Ca 0.29 0.08 -0.27 0.00 -2.44 0.00 0.00 57.07 54.73 2gbs s TYR 52 Cb -0.12 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 40.01 2gbs s TYR 52 CO 0.14 0.05 1.50 -1.01 -1.34 0.00 0.00 175.55 174.89 2gbs s HIS 53 N 0.84 2.13 0.54 4.97 3.76 0.60 -1.33 115.29 126.80 2gbs s HIS 53 Ca 0.06 0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 55.35 2gbs s HIS 53 Cb -0.13 -4.36 -0.03 0.00 1.11 0.00 0.00 32.58 29.17 2gbs s HIS 53 CO 0.02 -2.11 0.86 0.45 -0.85 0.00 0.00 174.74 173.12 2gbs s SER 54 N 5.13 6.09 0.00 1.40 0.15 -0.60 -1.32 113.70 124.55 2gbs s SER 54 Ca 0.54 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2gbs s SER 54 Cb -0.11 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2gbs s SER 54 CO 0.23 -0.76 0.00 -3.20 1.20 0.00 0.00 173.24 170.71 2gbs n ASN 55 N -2.44 0.00 -4.67 5.45 4.05 -1.26 -4.23 115.26 112.15 2gbs n ASN 55 Ca 0.03 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.73 2gbs n ASN 55 Cb 0.55 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 41.47 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2gbs s GLU 56 N 0.00 2.79 0.00 1.20 2.56 -1.26 -4.62 118.70 119.36 2gbs s GLU 56 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.38 2gbs s GLU 56 Cb 0.00 -2.67 0.00 0.00 2.00 0.00 0.00 34.13 33.46 2gbs s GLU 56 CO 0.00 0.63 0.00 0.41 -0.56 0.00 0.00 175.26 175.74 2gbs n GLY 57 N 1.55 2.09 3.42 -1.50 0.00 -1.26 -4.72 105.19 104.77 2gbs n GLY 57 Ca -0.15 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.41 -3.69 1.61 5.02 -0.43 -4.72 118.16 114.53 2gbs n LYS 58 Ca 0.00 1.07 -0.14 0.00 -2.02 0.00 0.00 58.31 57.22 2gbs n LYS 58 Cb 0.00 -4.22 -0.08 0.00 -0.02 0.00 0.00 35.03 30.71 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 -4.14 0.73 -0.38 1.97 -1.05 -1.20 0.08 118.70 114.72 2gbs s GLU 59 Ca 0.07 0.09 -0.16 0.00 -0.15 0.00 0.00 54.97 54.82 2gbs s GLU 59 Cb -0.02 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2gbs s GLU 59 CO 0.82 -0.19 0.38 0.42 0.95 0.00 0.00 175.26 177.63 2gbs s ILE 60 N -0.96 5.15 -0.17 1.83 1.01 0.13 -0.29 121.20 127.91 2gbs s ILE 60 Ca -0.10 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.41 2gbs s ILE 60 Cb -0.04 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 2gbs s ILE 60 CO 0.05 -0.24 -0.09 1.33 0.00 0.00 0.00 174.94 175.99 2gbs n VAL 61 N 5.30 1.01 -4.04 2.92 0.24 -0.90 -1.38 118.33 121.49 2gbs n VAL 61 Ca -0.09 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 2gbs n VAL 61 Cb 0.48 -0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 31.82 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 -5.42 0.76 -0.18 7.63 0.00 -1.25 -0.29 107.32 108.57 2gbs s GLY 62 Ca -0.19 -1.07 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 2gbs s GLY 62 CO 0.47 -0.79 0.00 -0.42 0.00 0.00 0.00 173.10 172.36 2gbs s ILE 63 N -3.97 4.16 0.09 0.90 1.01 0.08 -0.63 121.20 122.83 2gbs s ILE 63 Ca 0.26 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.69 2gbs s ILE 63 Cb 0.01 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2gbs s ILE 63 CO 0.10 0.46 0.08 0.00 0.00 0.00 0.00 174.94 175.59 2gbs s ALA 64 N 0.55 3.55 -0.04 9.38 0.00 0.60 -0.40 121.76 135.40 2gbs s ALA 64 Ca -0.01 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.96 2gbs s ALA 64 Cb -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2gbs s ALA 64 CO 0.02 0.72 -0.19 -2.00 0.00 0.00 0.00 175.76 174.31 2gbs s GLU 65 N -2.46 1.91 -0.25 0.00 2.12 -0.16 -0.44 118.70 119.41 2gbs s GLU 65 Ca 0.29 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 2gbs s GLU 65 Cb -0.12 -1.67 0.00 0.00 0.26 0.00 0.00 34.13 32.60 2gbs s GLU 65 CO 0.22 0.30 1.18 0.42 -0.54 0.00 0.00 175.26 176.85 2gbs s ILE 66 N -0.09 4.38 -1.00 -3.70 -1.09 0.21 -1.72 121.20 118.19 2gbs s ILE 66 Ca -0.02 1.62 0.10 0.00 -2.23 0.00 0.00 60.65 60.12 2gbs s ILE 66 Cb -0.11 -4.21 0.20 0.00 -1.58 0.00 0.00 42.46 36.76 2gbs s ILE 66 CO 0.02 -0.32 1.06 2.30 -1.23 0.00 0.00 174.94 176.77 2gbs n ILE 67 N 5.70 0.60 -3.60 2.92 -5.35 -0.31 -0.12 119.36 119.20 2gbs n ILE 67 Ca 0.13 -0.80 -0.05 0.00 -0.27 0.00 0.00 62.75 61.76 2gbs n ILE 67 Cb 0.46 0.78 -0.07 0.00 -1.74 0.00 0.00 39.64 39.08 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 -0.93 0.43 0.95 6.28 3.52 -1.05 -4.94 118.95 123.20 2gbs s ARG 68 Ca 0.17 1.14 -0.12 0.00 -0.13 0.00 0.00 55.73 56.79 2gbs s ARG 68 Cb 0.10 0.48 0.08 0.00 -1.56 0.00 0.00 34.95 34.04 2gbs s ARG 68 CO 0.13 -0.29 0.65 0.39 -0.81 0.00 0.00 175.30 175.38 2gbs n GLU 69 N 5.41 -0.40 -1.67 5.12 4.71 -1.26 -2.97 120.64 129.57 2gbs n GLU 69 Ca -0.09 -0.07 -0.44 0.00 -0.01 0.00 0.00 57.16 56.55 2gbs n GLU 69 Cb 0.49 -2.03 -0.04 0.00 -1.01 0.00 0.00 31.44 28.86 2gbs n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gbs n ALA 70 N -3.85 1.51 -2.40 0.62 0.00 -1.23 -4.67 120.51 110.49 2gbs n ALA 70 Ca 0.08 0.27 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 2gbs n ALA 70 Cb 0.53 -2.60 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 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 3.81 1.55 -0.14 0.00 1.13 -0.11 -4.87 117.35 118.72 2gbs s TYR 71 Ca 0.88 -0.58 -0.39 0.00 -1.41 0.00 0.00 57.07 55.57 2gbs s TYR 71 Cb -0.53 -0.77 -0.17 0.00 -1.10 0.00 0.00 41.96 39.39 2gbs s TYR 71 CO 0.44 0.24 1.52 -0.35 -2.51 0.00 0.00 175.55 174.88 2gbs n PRO 72 N 0.08 0.94 -1.91 -3.49 -0.04 -1.26 -0.11 135.00 129.20 2gbs n PRO 72 Ca -0.12 0.34 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2gbs n PRO 72 Cb 0.59 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 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 2.03 6.58 0.25 3.54 -1.08 0.75 -4.69 116.67 124.06 2gbs s ASP 73 Ca 0.93 2.54 0.20 0.00 -0.52 0.00 0.00 52.55 55.71 2gbs s ASP 73 Cb -1.09 -2.57 0.96 0.00 -1.46 0.00 0.00 42.92 38.76 2gbs s ASP 73 CO 0.59 -0.88 1.61 -0.81 0.52 0.00 0.00 175.17 176.21 2gbs n PRO 74 N 5.14 0.14 0.06 4.34 -0.04 -1.26 -1.74 135.00 141.64 2gbs n PRO 74 Ca 0.15 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.25 2gbs n PRO 74 Cb 0.40 -1.86 0.16 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.14 0.33 -3.45 0.52 5.66 -1.26 -4.84 114.28 109.10 2gbs n THR 75 Ca 0.00 -0.27 -0.38 0.00 -3.05 0.00 0.00 64.05 60.36 2gbs n THR 75 Cb 0.12 -0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 68.75 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 -4.17 6.68 0.15 1.09 2.15 -0.71 -4.96 116.67 116.89 2gbs s ASP 76 Ca 0.06 0.81 0.24 0.00 0.43 0.00 0.00 52.55 54.09 2gbs s ASP 76 Cb 0.14 -2.24 0.36 0.00 -0.30 0.00 0.00 42.92 40.87 2gbs s ASP 76 CO 0.73 0.17 1.35 0.00 -0.17 0.00 0.00 175.17 177.25 2gbs h ALA 77 N 5.82 0.64 0.08 3.66 0.00 -1.88 -3.36 119.26 124.22 2gbs h ALA 77 Ca -0.46 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.14 2gbs h ALA 77 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2gbs h ALA 77 CO 0.69 0.00 -1.66 1.03 0.00 0.00 0.00 179.25 179.31 2gbs h SER 78 N 0.00 0.27 0.00 0.00 0.87 -1.94 -3.49 113.55 109.26 2gbs h SER 78 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2gbs h SER 78 Cb 0.78 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2gbs h SER 78 CO 0.00 1.70 0.00 0.61 -0.53 0.00 0.00 176.83 178.61 2gbs n GLY 79 N 1.76 1.26 0.08 5.77 0.00 -1.26 -4.99 105.19 107.80 2gbs n GLY 79 Ca -0.31 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 2gbs n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gbs n LYS 80 N -1.72 0.67 -3.07 1.61 4.81 -1.26 -4.88 118.16 114.32 2gbs n LYS 80 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.10 2gbs n LYS 80 Cb 0.00 -1.58 -0.06 0.00 0.02 0.00 0.00 35.03 33.41 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2gbs s PHE 81 N -2.79 3.54 0.15 5.64 0.08 -1.26 -4.99 117.98 118.35 2gbs s PHE 81 Ca -0.08 1.38 0.08 0.00 0.12 0.00 0.00 56.93 58.42 2gbs s PHE 81 Cb 0.08 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 2gbs s PHE 81 CO 0.84 0.22 -0.17 0.14 -0.10 0.00 0.00 175.22 176.16 2gbs s VAL 82 N -1.71 1.67 0.03 -0.44 -7.23 -1.26 -0.18 120.40 111.28 2gbs s VAL 82 Ca 0.48 -1.86 -0.00 0.00 -1.81 0.00 0.00 61.98 58.79 2gbs s VAL 82 Cb -0.14 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 2gbs s VAL 82 CO 0.20 -0.35 -0.03 0.00 -0.31 0.00 0.00 175.10 174.60 2gbs s VAL 84 N -2.29 1.92 -0.23 0.00 -7.23 -1.25 -0.94 120.40 110.38 2gbs s VAL 84 Ca -0.08 -1.39 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 2gbs s VAL 84 Cb -0.04 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 2gbs s VAL 84 CO -0.04 0.22 0.36 -0.62 -0.31 0.00 0.00 175.10 174.71 2gbs s ASP 85 N -1.41 6.34 0.17 4.85 2.15 -1.16 -0.22 116.67 127.39 2gbs s ASP 85 Ca 0.10 0.39 0.07 0.00 0.43 0.00 0.00 52.55 53.54 2gbs s ASP 85 Cb -0.10 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.27 2gbs s ASP 85 CO 0.03 -0.10 -0.15 0.27 -0.17 0.00 0.00 175.17 175.04 2gbs s ILE 86 N 1.56 1.65 0.18 4.11 -4.36 -0.26 -1.16 121.20 122.92 2gbs s ILE 86 Ca 0.16 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 2gbs s ILE 86 Cb -0.15 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.65 2gbs s ILE 86 CO 0.08 -0.47 -0.04 -1.59 0.24 0.00 0.00 174.94 173.16 2gbs s LYS 87 N -3.16 1.15 0.03 0.37 -2.85 -0.70 -0.35 119.74 114.22 2gbs s LYS 87 Ca 0.17 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.97 53.30 2gbs s LYS 87 Cb -0.03 -0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 2gbs s LYS 87 CO 0.06 -0.03 0.98 0.00 0.10 0.00 0.00 175.35 176.45 2gbs s ALA 88 N -3.45 3.19 0.00 0.59 0.00 -1.23 -0.99 121.76 119.86 2gbs s ALA 88 Ca 0.22 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2gbs s ALA 88 Cb 0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2gbs s ALA 88 CO 0.04 -0.18 0.00 -3.47 0.00 0.00 0.00 175.76 172.14 2gbs n ASP 89 N 3.61 0.00 -3.70 0.00 2.03 0.46 -4.71 116.55 114.24 2gbs n ASP 89 Ca 0.05 0.12 -0.14 0.00 0.52 0.00 0.00 54.79 55.34 2gbs n ASP 89 Cb 0.50 -0.40 -0.08 0.00 -0.72 0.00 0.00 41.12 40.42 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 -0.80 0.71 0.48 -0.67 -2.85 -1.21 -5.01 119.74 110.39 2gbs s LYS 90 Ca 0.00 0.17 -0.05 0.00 -1.00 0.00 0.00 55.97 55.09 2gbs s LYS 90 Cb 0.00 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 2gbs s LYS 90 CO 0.00 -0.18 0.77 -1.25 0.10 0.00 0.00 175.35 174.80 2gbs s PRO 91 N -0.79 3.44 0.66 1.78 0.04 -1.26 -0.74 135.00 138.12 2gbs s PRO 91 Ca -0.09 0.10 -0.11 0.00 0.04 0.00 0.00 61.00 60.94 2gbs s PRO 91 Cb -0.03 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 2gbs s PRO 91 CO 0.04 -0.24 1.05 -0.51 0.04 0.00 0.00 177.00 177.38 2gbs s LEU 92 N -4.73 3.12 0.04 -3.56 1.43 0.60 -4.91 118.68 110.68 2gbs s LEU 92 Ca 0.48 1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 54.72 2gbs s LEU 92 Cb -0.10 -4.36 -0.17 0.00 0.03 0.00 0.00 46.19 41.59 2gbs s LEU 92 CO 0.44 -1.12 1.47 0.50 0.23 0.00 0.00 176.35 177.87 2gbs h LYS 93 N -0.50 -0.37 -4.53 1.70 1.63 -1.88 -3.42 116.57 109.20 2gbs h LYS 93 Ca -0.44 0.03 -0.55 0.00 -0.85 0.00 0.00 60.65 58.84 2gbs h LYS 93 Cb 1.21 0.08 -0.35 0.00 -0.60 0.00 0.00 32.23 32.57 2gbs h LYS 93 CO 0.61 -0.13 -0.82 0.99 -3.45 0.00 0.00 179.45 176.65 2gbs s THR 94 N -5.39 1.25 0.13 1.00 2.01 0.11 -5.01 115.64 109.73 2gbs s THR 94 Ca -0.15 -0.49 -0.33 0.00 0.31 0.00 0.00 61.69 61.03 2gbs s THR 94 Cb 0.03 -1.17 -0.12 0.00 0.01 0.00 0.00 72.50 71.25 2gbs s THR 94 CO 0.61 0.39 1.71 -2.65 -0.69 0.00 0.00 174.62 173.99 2gbs n PRO 95 N 4.30 2.45 -2.99 4.92 -0.02 -1.26 -4.47 135.00 137.92 2gbs n PRO 95 Ca -0.19 0.89 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 2gbs n PRO 95 Cb 0.51 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 1.85 4.60 0.71 -1.45 1.01 -0.48 -4.84 120.40 121.81 2gbs s VAL 96 Ca 0.81 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 2gbs s VAL 96 Cb -0.59 -4.48 0.02 0.00 0.00 0.00 0.00 36.38 31.32 2gbs s VAL 96 CO 0.38 -1.08 1.07 0.42 0.00 0.00 0.00 175.10 175.89 2gbs s THR 97 N 3.34 3.80 0.37 3.92 -4.23 -1.26 0.20 115.64 121.78 2gbs s THR 97 Ca 0.21 0.59 0.07 0.00 -1.18 0.00 0.00 61.69 61.37 2gbs s THR 97 Cb -0.17 -3.41 0.30 0.00 1.34 0.00 0.00 72.50 70.55 2gbs s THR 97 CO 0.13 -0.77 1.95 0.25 -0.54 0.00 0.00 174.62 175.64 2gbs h LEU 98 N -0.74 0.63 -1.00 4.79 5.85 -0.64 0.12 115.31 124.32 2gbs h LEU 98 Ca -0.45 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 2gbs h LEU 98 Cb 1.23 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2gbs h LEU 98 CO 0.60 0.39 0.19 0.00 -0.34 0.00 0.00 178.44 179.28 2gbs h ALA 99 N 1.61 1.20 -0.10 1.25 0.00 -1.92 -2.12 119.26 119.18 2gbs h ALA 99 Ca 0.33 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2gbs h ALA 99 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2gbs h ALA 99 CO -0.12 0.56 -0.61 0.00 0.00 0.00 0.00 179.25 179.09 2gbs h ALA 100 N 1.32 0.77 -0.19 0.00 0.00 -1.39 -2.86 119.26 116.92 2gbs h ALA 100 Ca 0.20 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2gbs h ALA 100 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gbs h ALA 100 CO -0.01 0.72 -0.13 0.28 0.00 0.00 0.00 179.25 180.12 2gbs h VAL 101 N 0.26 1.19 0.00 0.00 2.07 -0.76 -1.57 116.25 117.44 2gbs h VAL 101 Ca -0.01 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2gbs h VAL 101 Cb 1.13 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2gbs h VAL 101 CO 0.10 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.25 2gbs n LYS 102 N -4.26 0.15 0.17 1.57 5.02 -0.84 -3.08 118.16 116.89 2gbs n LYS 102 Ca -0.00 0.27 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 2gbs n LYS 102 Cb 0.28 -1.73 0.08 0.00 -0.02 0.00 0.00 35.03 33.64 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 2.48 0.81 -2.93 7.82 0.00 -1.21 -3.44 119.26 122.79 2gbs h ALA 103 Ca 0.00 -0.23 -0.65 0.00 0.00 0.00 0.00 54.91 54.03 2gbs h ALA 103 Cb 0.47 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.02 2gbs h ALA 103 CO 0.00 0.30 -0.60 -2.00 0.00 0.00 0.00 179.25 176.95 2gbs s GLU 104 N -3.11 3.64 0.28 0.00 -6.30 -1.18 -5.00 118.70 107.04 2gbs s GLU 104 Ca 0.05 -0.50 0.02 0.00 -2.50 0.00 0.00 54.97 52.04 2gbs s GLU 104 Cb 0.07 -3.42 0.69 0.00 0.00 0.00 0.00 34.13 31.47 2gbs s GLU 104 CO 0.72 -0.23 1.68 -1.35 0.02 0.00 0.00 175.26 176.10 2gbs h PRO 105 N 8.28 0.32 0.00 4.30 0.11 -1.86 0.33 132.00 143.48 2gbs h PRO 105 Ca -0.37 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.57 2gbs h PRO 105 Cb 1.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2gbs h PRO 105 CO 0.58 0.21 -0.75 -0.09 -0.21 0.00 0.00 178.00 177.74 2gbs h ARG 106 N 0.33 0.00 0.00 1.05 2.43 -1.94 -2.85 114.38 113.40 2gbs h ARG 106 Ca 0.54 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.62 2gbs h ARG 106 Cb 1.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2gbs h ARG 106 CO -0.56 0.75 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.16 2gbs h LEU 107 N 0.00 0.00 -0.02 3.80 3.38 -1.35 -2.79 115.31 118.33 2gbs h LEU 107 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gbs h LEU 107 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2gbs h LEU 107 CO 0.10 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.05 2gbs n ALA 108 N -2.22 1.81 0.28 1.53 0.00 0.10 -1.84 120.51 120.17 2gbs n ALA 108 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.45 2gbs n ALA 108 Cb 0.67 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.89 2gbs n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gbs n ASP 109 N -1.53 1.96 -4.73 0.00 2.03 -1.07 -4.60 116.55 108.61 2gbs n ASP 109 Ca 0.04 -1.50 -0.32 0.00 0.52 0.00 0.00 54.79 53.53 2gbs n ASP 109 Cb 0.21 -0.04 0.10 0.00 -0.72 0.00 0.00 41.12 40.68 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2gbs s MET 110 N -0.81 1.99 0.31 -0.67 1.75 -0.76 -4.62 119.30 116.48 2gbs s MET 110 Ca 0.12 1.46 0.07 0.00 -1.25 0.00 0.00 55.69 56.09 2gbs s MET 110 Cb 0.08 -1.84 0.78 0.00 2.84 0.00 0.00 34.83 36.69 2gbs s MET 110 CO 0.12 -1.89 1.77 0.00 -0.65 0.00 0.00 175.02 174.37 2gbs h ALA 111 N -0.91 1.72 -0.36 4.11 0.00 -1.88 0.24 119.26 122.19 2gbs h ALA 111 Ca -0.45 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2gbs h ALA 111 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2gbs h ALA 111 CO 0.49 -0.11 0.24 1.25 0.00 0.00 0.00 179.25 181.12 2gbs h LEU 112 N 0.72 0.31 0.00 0.00 5.85 -1.90 0.53 115.31 120.81 2gbs h LEU 112 Ca 0.59 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.31 2gbs h LEU 112 Cb 0.98 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2gbs h LEU 112 CO -0.39 0.21 -1.25 0.80 -0.34 0.00 0.00 178.44 177.47 2gbs n MET 113 N -4.48 0.43 -0.06 1.25 1.56 0.63 -3.27 117.12 113.18 2gbs n MET 113 Ca 0.03 -0.02 -0.11 0.00 -0.27 0.00 0.00 57.70 57.33 2gbs n MET 113 Cb 0.17 -1.62 -0.10 0.00 2.15 0.00 0.00 33.22 33.81 2gbs n MET 113 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2gbs h LYS 114 N 0.00 -0.00 -2.95 2.12 1.57 0.16 -3.44 116.57 114.02 2gbs h LYS 114 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2gbs h LYS 114 Cb 0.84 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.75 2gbs h LYS 114 CO 0.00 0.77 -0.75 0.71 -0.57 0.00 0.00 179.45 179.61 2gbs s TYR 115 N -2.12 1.81 -1.95 -1.35 2.02 0.18 -4.94 117.35 111.00 2gbs s TYR 115 Ca -0.15 -2.30 0.22 0.00 -0.37 0.00 0.00 57.07 54.47 2gbs s TYR 115 Cb -0.02 -1.76 1.28 0.00 -0.40 0.00 0.00 41.96 41.06 2gbs s TYR 115 CO 0.54 -0.79 1.68 0.43 -1.57 0.00 0.00 175.55 175.84 2gbs n SER 116 N 3.65 0.00 0.09 2.29 7.64 -1.20 -1.83 113.62 124.26 2gbs n SER 116 Ca 0.09 -0.63 0.12 0.00 1.01 0.00 0.00 58.87 59.46 2gbs n SER 116 Cb 0.35 -0.02 0.07 0.00 -1.01 0.00 0.00 64.21 63.60 2gbs n SER 116 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2gbs h ARG 117 N 0.00 0.00 -6.25 1.43 9.65 -1.92 -3.46 114.38 113.83 2gbs h ARG 117 Ca 0.00 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.32 2gbs h ARG 117 Cb 0.02 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 2gbs h ARG 117 CO 0.00 0.00 0.82 -1.17 2.80 0.00 0.00 179.97 182.42 2gbs s LEU 118 N -4.86 4.24 -0.11 3.80 2.96 -0.76 -4.93 118.68 119.02 2gbs s LEU 118 Ca 0.03 1.81 -0.26 0.00 -0.22 0.00 0.00 54.13 55.48 2gbs s LEU 118 Cb 0.11 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.98 2gbs s LEU 118 CO 0.76 -0.69 0.78 0.28 -1.32 0.00 0.00 176.35 176.16 2gbs h SER 119 N 7.90 0.16 -3.77 3.68 0.02 -1.90 -3.43 113.55 116.22 2gbs h SER 119 Ca -0.31 -0.96 -0.68 0.00 -0.84 0.00 0.00 61.79 59.00 2gbs h SER 119 Cb 1.14 -0.05 -0.34 0.00 0.14 0.00 0.00 62.40 63.29 2gbs h SER 119 CO 0.92 1.17 -0.71 -0.69 -1.14 0.00 0.00 176.83 176.38 2gbs s VAL 120 N -2.30 2.81 0.04 2.27 1.01 -1.26 -1.84 120.40 121.14 2gbs s VAL 120 Ca -0.18 -1.52 0.05 0.00 0.00 0.00 0.00 61.98 60.33 2gbs s VAL 120 Cb -0.01 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2gbs s VAL 120 CO 0.73 -0.15 -0.07 -1.10 0.00 0.00 0.00 175.10 174.52 2gbs s GLN 121 N 1.20 2.44 -0.14 2.72 -0.21 -0.21 -4.62 119.66 120.84 2gbs s GLN 121 Ca -0.04 -0.82 -0.23 0.00 0.02 0.00 0.00 55.36 54.29 2gbs s GLN 121 Cb -0.20 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 2gbs s GLN 121 CO -0.02 0.57 0.71 -1.25 -2.12 0.00 0.00 175.29 173.18 2gbs s PRO 122 N -1.75 4.32 -0.08 2.91 0.05 -1.26 0.04 135.00 139.23 2gbs s PRO 122 Ca 0.19 0.83 0.03 0.00 0.05 0.00 0.00 61.00 62.10 2gbs s PRO 122 Cb -0.11 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.89 2gbs s PRO 122 CO 0.11 -0.16 -0.18 0.08 0.05 0.00 0.00 177.00 176.90 2gbs s VAL 123 N 1.59 2.68 0.50 -0.36 1.01 0.49 -4.78 120.40 121.52 2gbs s VAL 123 Ca 0.35 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2gbs s VAL 123 Cb -0.17 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2gbs s VAL 123 CO 0.14 0.56 0.85 0.42 0.00 0.00 0.00 175.10 177.07 2gbs s THR 124 N -0.11 4.81 0.33 3.92 -4.23 -1.26 -3.77 115.64 115.33 2gbs s THR 124 Ca -0.03 0.52 0.06 0.00 -1.18 0.00 0.00 61.69 61.06 2gbs s THR 124 Cb -0.14 -3.83 0.31 0.00 1.34 0.00 0.00 72.50 70.18 2gbs s THR 124 CO 0.04 -0.84 1.86 0.00 -0.54 0.00 0.00 174.62 175.14 2gbs h ALA 125 N 0.36 1.72 0.00 3.99 0.00 -1.94 0.19 119.26 123.58 2gbs h ALA 125 Ca -0.46 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2gbs h ALA 125 Cb 1.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2gbs h ALA 125 CO 0.62 0.04 -0.21 0.93 0.00 0.00 0.00 179.25 180.63 2gbs h GLU 126 N 0.80 -0.32 -0.27 0.00 3.07 -1.99 0.19 114.58 116.06 2gbs h GLU 126 Ca 0.46 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.28 2gbs h GLU 126 Cb 0.63 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2gbs h GLU 126 CO -0.23 -0.21 -0.10 0.93 -1.40 0.00 0.00 179.01 178.00 2gbs h GLU 127 N -0.33 0.54 0.21 2.33 5.08 -1.73 -2.38 114.58 118.30 2gbs h GLU 127 Ca 0.06 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2gbs h GLU 127 Cb 0.41 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2gbs h GLU 127 CO -0.19 0.78 -0.43 2.35 -1.00 0.00 0.00 179.01 180.52 2gbs h TRP 128 N 0.29 -1.21 -0.08 4.33 2.91 -0.42 -1.62 115.95 120.14 2gbs h TRP 128 Ca 0.06 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 2gbs h TRP 128 Cb 0.60 0.50 -0.01 0.00 -0.51 0.00 0.00 29.16 29.74 2gbs h TRP 128 CO 0.06 -0.55 -0.16 0.87 -1.03 0.00 0.00 178.44 177.63 2gbs h LYS 129 N -0.73 0.13 0.25 2.65 1.57 -0.67 -2.26 116.57 117.52 2gbs h LYS 129 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2gbs h LYS 129 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2gbs h LYS 129 CO -0.20 0.30 -0.12 1.25 -0.57 0.00 0.00 179.45 180.11 2gbs h LEU 130 N 0.12 -0.29 -1.17 2.94 5.85 -0.99 -2.19 115.31 119.59 2gbs h LEU 130 Ca 0.02 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2gbs h LEU 130 Cb 0.37 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2gbs h LEU 130 CO 0.02 -0.04 0.57 0.58 -0.34 0.00 0.00 178.44 179.23 2gbs h VAL 131 N -0.54 1.16 0.46 1.05 2.07 -1.00 0.39 116.25 119.85 2gbs h VAL 131 Ca -0.03 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2gbs h VAL 131 Cb 0.40 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2gbs h VAL 131 CO 0.06 0.20 -0.29 0.00 0.02 0.00 0.00 177.57 177.56 2gbs h LYS 133 N -0.72 0.57 -0.58 0.00 1.57 -0.94 -1.91 116.57 114.56 2gbs h LYS 133 Ca -0.05 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2gbs h LYS 133 Cb 0.59 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2gbs h LYS 133 CO 0.05 0.69 0.32 1.98 -0.57 0.00 0.00 179.45 181.92 2gbs h MET 134 N 0.53 0.80 -0.96 3.15 4.05 0.01 -0.61 114.93 121.90 2gbs h MET 134 Ca 0.09 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 2gbs h MET 134 Cb 0.53 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2gbs h MET 134 CO 0.03 0.58 0.05 0.41 0.23 0.00 0.00 176.91 178.21 2gbs n GLY 135 N -1.28 2.05 2.15 1.39 0.00 -0.18 -4.80 105.19 104.52 2gbs n GLY 135 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.15 1.47 3.50 -0.02 0.00 -0.24 0.07 105.19 110.13 2gbs n GLY 136 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2gbs n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gbs s LEU 137 N 0.00 4.59 0.09 0.99 2.96 -0.77 -4.24 118.68 122.30 2gbs s LEU 137 Ca 0.00 -2.52 0.00 0.00 -0.22 0.00 0.00 54.13 51.39 2gbs s LEU 137 Cb 0.00 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.23 2gbs s LEU 137 CO 0.00 -0.99 0.00 -0.11 -1.32 0.00 0.00 176.35 173.93 2gbs n LEU 138 N 6.85 -0.73 -4.65 -0.68 0.00 -1.26 -3.12 117.00 113.41 2gbs n LEU 138 Ca 0.37 0.18 -0.28 0.00 0.00 0.00 0.00 56.01 56.28 2gbs n LEU 138 Cb 0.46 0.99 -0.10 0.00 0.00 0.00 0.00 43.42 44.77 2gbs n LEU 138 CO 0.64 -0.38 -0.26 -0.70 0.00 0.00 0.00 177.39 176.69 2gbs s GLU 139 N -1.21 2.02 -0.02 1.96 -6.30 -1.26 -5.05 118.70 108.84 2gbs s GLU 139 Ca 0.00 -2.09 -0.24 0.00 -2.50 0.00 0.00 54.97 50.13 2gbs s GLU 139 Cb 0.00 -1.69 -0.20 0.00 0.00 0.00 0.00 34.13 32.25 2gbs s GLU 139 CO 0.00 -0.09 1.22 1.25 0.02 0.00 0.00 175.26 177.66 2gbs h HIS 140 N 1.68 0.16 0.00 5.30 -0.00 -2.01 -3.47 115.15 116.80 2gbs h HIS 140 Ca -0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2gbs h HIS 140 Cb 1.25 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 2gbs h HIS 140 CO 0.78 0.66 0.00 0.72 -0.00 0.00 0.00 177.93 180.10 2gbs n HIS 141 N -4.70 0.00 -3.72 5.26 8.25 -1.26 -5.14 115.22 113.90 2gbs n HIS 141 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 2gbs n HIS 141 Cb 0.34 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 2gbs n HIS 141 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2gbs s HIS 142 N 0.00 3.41 0.17 4.41 -3.43 -1.26 -5.05 115.29 113.54 2gbs s HIS 142 Ca 0.00 0.34 -0.30 0.00 -0.80 0.00 0.00 55.06 54.29 2gbs s HIS 142 Cb 0.00 -2.17 -0.09 0.00 -1.43 0.00 0.00 32.58 28.90 2gbs s HIS 142 CO 0.00 0.29 1.35 -1.58 -2.00 0.00 0.00 174.74 172.80 2gbs s HIS 143 N 0.37 3.23 -0.35 0.38 2.46 -1.26 -4.94 115.29 115.18 2gbs s HIS 143 Ca 0.08 1.10 -0.24 0.00 0.47 0.00 0.00 55.06 56.47 2gbs s HIS 143 Cb -0.11 -3.66 0.01 0.00 -0.13 0.00 0.00 32.58 28.69 2gbs s HIS 143 CO -0.02 -2.16 0.83 -1.01 -2.47 0.00 0.00 174.74 169.91 2gbs s HIS 144 N 0.48 3.12 0.00 3.88 3.76 -1.26 -5.23 115.29 120.04 2gbs s HIS 144 Ca 0.60 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.20 2gbs s HIS 144 Cb -0.37 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 29.88 2gbs s HIS 144 CO 0.36 -0.73 0.00 1.58 -0.85 0.00 0.00 174.74 175.10