#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 3.66 -0.06 3.52 0.00 -1.26 -4.99 121.76 122.63 2gbs s ALA 2 Ca 0.00 -2.03 0.05 0.00 0.00 0.00 0.00 51.96 49.98 2gbs s ALA 2 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2gbs s ALA 2 CO 0.00 -0.18 -0.22 0.71 0.00 0.00 0.00 175.76 176.07 2gbs s TYR 3 N -2.61 2.16 0.39 0.00 2.02 -1.26 -1.37 117.35 116.69 2gbs s TYR 3 Ca 0.40 -0.67 0.04 0.00 -0.37 0.00 0.00 57.07 56.48 2gbs s TYR 3 Cb 0.03 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 2gbs s TYR 3 CO 0.22 -0.22 0.13 -1.58 -1.57 0.00 0.00 175.55 172.54 2gbs s TRP 4 N -0.02 1.78 -0.14 2.71 0.52 0.10 -0.34 118.94 123.55 2gbs s TRP 4 Ca -0.06 -1.29 -0.08 0.00 0.02 0.00 0.00 56.10 54.70 2gbs s TRP 4 Cb -0.13 -1.12 0.05 0.00 -1.15 0.00 0.00 33.47 31.12 2gbs s TRP 4 CO 0.04 -0.33 0.34 -1.17 0.02 0.00 0.00 176.95 175.86 2gbs s LEU 5 N -3.57 0.12 -0.05 2.99 0.20 0.14 -0.31 118.68 118.20 2gbs s LEU 5 Ca 0.26 0.74 0.04 0.00 0.69 0.00 0.00 54.13 55.87 2gbs s LEU 5 Cb 0.03 1.10 -0.02 0.00 -0.43 0.00 0.00 46.19 46.87 2gbs s LEU 5 CO 0.15 -0.18 -0.18 0.68 -0.29 0.00 0.00 176.35 176.54 2gbs s VAL 6 N 1.32 2.74 -0.31 1.68 -7.23 -0.41 -1.24 120.40 116.95 2gbs s VAL 6 Ca -0.09 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.07 2gbs s VAL 6 Cb -0.09 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2gbs s VAL 6 CO -0.11 0.58 0.48 -0.54 -0.31 0.00 0.00 175.10 175.20 2gbs s LYS 7 N -0.54 3.80 -0.06 4.82 1.02 -0.59 -2.23 119.74 125.96 2gbs s LYS 7 Ca 0.07 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2gbs s LYS 7 Cb -0.11 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 2gbs s LYS 7 CO 0.01 -0.50 -0.17 0.45 -0.92 0.00 0.00 175.35 174.22 2gbs s SER 8 N 1.69 2.21 -0.19 2.83 0.15 -0.27 -4.93 113.70 115.19 2gbs s SER 8 Ca 0.18 -0.38 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 2gbs s SER 8 Cb -0.16 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2gbs s SER 8 CO 0.12 0.11 0.34 -1.61 1.20 0.00 0.00 173.24 173.40 2gbs s GLU 9 N 0.31 4.19 0.24 5.44 2.02 -1.26 -0.18 118.70 129.45 2gbs s GLU 9 Ca -0.10 0.12 0.19 0.00 0.02 0.00 0.00 54.97 55.19 2gbs s GLU 9 Cb -0.14 -3.50 0.92 0.00 0.10 0.00 0.00 34.13 31.51 2gbs s GLU 9 CO 0.04 0.06 1.58 -2.30 0.02 0.00 0.00 175.26 174.66 2gbs n PRO 10 N 4.16 0.13 0.05 0.39 -0.02 -1.16 -1.18 135.00 137.37 2gbs n PRO 10 Ca -0.10 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 2gbs n PRO 10 Cb 0.51 -1.84 0.38 0.00 -0.02 0.00 0.00 33.50 32.53 2gbs n PRO 10 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2gbs h SER 11 N 0.00 0.39 0.00 2.55 0.02 -1.92 -3.35 113.55 111.23 2gbs h SER 11 Ca 0.00 -0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.70 2gbs h SER 11 Cb 0.14 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2gbs h SER 11 CO 0.00 0.42 -1.69 0.52 -1.14 0.00 0.00 176.83 174.94 2gbs n VAL 12 N -4.35 0.69 -4.27 2.27 0.31 -0.54 -5.04 118.33 107.39 2gbs n VAL 12 Ca 0.01 -0.21 -0.18 0.00 -0.01 0.00 0.00 64.34 63.95 2gbs n VAL 12 Cb 0.19 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.23 0.88 0.47 3.52 -0.11 -0.33 -5.09 118.94 116.05 2gbs s TRP 13 Ca -0.17 -0.28 0.04 0.00 1.22 0.00 0.00 56.10 56.91 2gbs s TRP 13 Cb 0.06 -0.54 -0.04 0.00 -1.50 0.00 0.00 33.47 31.45 2gbs s TRP 13 CO 0.24 -0.01 0.03 -1.54 -4.62 0.00 0.00 176.95 171.05 2gbs s SER 14 N -0.78 4.07 -0.07 5.86 1.04 -1.26 -2.98 113.70 119.58 2gbs s SER 14 Ca -0.00 -1.52 -0.24 0.00 0.48 0.00 0.00 55.95 54.67 2gbs s SER 14 Cb -0.06 0.15 -0.26 0.00 0.10 0.00 0.00 66.02 65.94 2gbs s SER 14 CO 0.00 -0.71 0.93 -0.25 0.98 0.00 0.00 173.24 174.20 2gbs h TRP 15 N 1.48 0.31 -0.56 5.02 -0.00 -1.98 -3.30 115.95 116.92 2gbs h TRP 15 Ca -0.44 -0.20 0.08 0.00 -0.00 0.00 0.00 58.89 58.34 2gbs h TRP 15 Cb 1.29 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.16 30.36 2gbs h TRP 15 CO 1.19 1.08 0.20 0.22 -0.00 0.00 0.00 178.44 181.13 2gbs h ASP 16 N -0.55 0.19 -0.87 2.65 3.58 -1.99 -1.10 116.42 118.33 2gbs h ASP 16 Ca -0.06 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.48 2gbs h ASP 16 Cb 1.22 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 2gbs h ASP 16 CO 0.07 0.13 0.57 1.56 -2.88 0.00 0.00 179.24 178.68 2gbs h GLN 17 N 0.38 1.09 -0.03 0.28 4.20 -2.00 -0.74 115.11 118.29 2gbs h GLN 17 Ca 0.28 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 2gbs h GLN 17 Cb 0.33 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2gbs h GLN 17 CO -0.28 0.72 -0.44 0.37 -0.67 0.00 0.00 178.83 178.52 2gbs h GLN 18 N 1.12 0.06 -0.28 1.46 5.75 -1.33 -0.50 115.11 121.38 2gbs h GLN 18 Ca 0.33 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.66 2gbs h GLN 18 Cb -0.06 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 2gbs h GLN 18 CO -0.10 0.49 -0.41 0.28 -2.65 0.00 0.00 178.83 176.45 2gbs h VAL 19 N 0.05 1.29 0.00 2.39 2.07 -0.42 -1.56 116.25 120.08 2gbs h VAL 19 Ca 0.00 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 2gbs h VAL 19 Cb 0.81 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2gbs h VAL 19 CO 0.06 0.51 -0.22 0.00 0.02 0.00 0.00 177.57 177.95 2gbs h ALA 20 N 0.68 1.32 -0.46 1.67 0.00 -0.84 -0.55 119.26 121.08 2gbs h ALA 20 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2gbs h ALA 20 Cb 1.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2gbs h ALA 20 CO 0.09 0.27 0.00 1.63 0.00 0.00 0.00 179.25 181.25 2gbs n LYS 21 N -3.81 3.07 0.17 0.00 5.02 -0.23 -4.42 118.16 117.97 2gbs n LYS 21 Ca -0.02 -2.08 0.05 0.00 -2.02 0.00 0.00 58.31 54.24 2gbs n LYS 21 Cb 0.32 -1.76 0.51 0.00 -0.02 0.00 0.00 35.03 34.07 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 4.56 0.15 -1.36 0.72 0.00 -0.06 0.28 103.07 107.37 2gbs h GLY 22 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2gbs h GLY 22 CO 0.19 0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.80 2gbs n ALA 23 N -2.51 2.50 -0.00 3.60 0.00 -1.26 -4.51 120.51 118.33 2gbs n ALA 23 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 2gbs n ALA 23 Cb 0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 0.87 2.05 0.00 0.00 0.00 -0.36 -5.16 120.51 117.91 2gbs n ALA 24 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2gbs n ALA 24 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2gbs n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbs n GLY 25 N 2.74 2.55 3.09 0.00 0.00 0.86 -5.01 105.19 109.42 2gbs n GLY 25 Ca -0.03 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 2gbs n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gbs s GLU 26 N -3.77 0.63 -0.14 1.61 0.41 -0.08 -4.90 118.70 112.45 2gbs s GLU 26 Ca 0.00 -0.76 -0.24 0.00 -0.41 0.00 0.00 54.97 53.56 2gbs s GLU 26 Cb 0.00 -0.49 -0.02 0.00 -1.78 0.00 0.00 34.13 31.84 2gbs s GLU 26 CO 0.00 0.10 0.76 0.00 -0.49 0.00 0.00 175.26 175.64 2gbs s ALA 27 N -1.20 3.46 -1.21 5.21 0.00 -1.26 -0.36 121.76 126.41 2gbs s ALA 27 Ca -0.06 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2gbs s ALA 27 Cb -0.09 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 20.02 2gbs s ALA 27 CO 0.01 -0.48 1.57 -0.46 0.00 0.00 0.00 175.76 176.40 2gbs s TRP 28 N 1.71 3.00 0.25 0.00 -0.11 0.72 -4.96 118.94 119.55 2gbs s TRP 28 Ca 0.37 -1.68 0.09 0.00 1.22 0.00 0.00 56.10 56.09 2gbs s TRP 28 Cb -0.17 -4.58 -0.04 0.00 -1.50 0.00 0.00 33.47 27.18 2gbs s TRP 28 CO 0.14 -1.67 0.05 -0.08 -4.62 0.00 0.00 176.95 170.77 2gbs s THR 29 N 3.38 3.76 0.00 5.86 -1.32 -1.26 -4.04 115.64 122.02 2gbs s THR 29 Ca 0.48 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2gbs s THR 29 Cb 0.01 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.99 2gbs s THR 29 CO 0.02 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 2gbs n GLY 30 N -0.89 1.19 3.56 6.08 0.00 -1.26 -5.02 105.19 108.84 2gbs n GLY 30 Ca -0.07 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 3.70 0.13 1.61 -7.23 -1.26 -4.80 120.40 110.55 2gbs s VAL 31 Ca 0.00 -0.27 0.14 0.00 -1.81 0.00 0.00 61.98 60.04 2gbs s VAL 31 Cb 0.00 -4.67 0.03 0.00 0.56 0.00 0.00 36.38 32.30 2gbs s VAL 31 CO 0.00 -1.59 1.58 0.03 -0.31 0.00 0.00 175.10 174.82 2gbs h ARG 32 N 10.80 0.00 -5.73 4.82 3.08 -1.99 -3.43 114.38 121.93 2gbs h ARG 32 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 2gbs h ARG 32 Cb 1.04 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.00 2gbs h ARG 32 CO 1.32 0.55 0.03 0.54 -1.07 0.00 0.00 179.97 181.35 2gbs s ASN 33 N -6.58 6.73 0.41 7.04 4.22 -1.26 -4.95 114.94 120.54 2gbs s ASN 33 Ca 0.01 0.88 0.27 0.00 -2.14 0.00 0.00 52.86 51.87 2gbs s ASN 33 Cb 0.11 -2.34 0.79 0.00 1.28 0.00 0.00 41.25 41.09 2gbs s ASN 33 CO 0.74 -0.17 1.76 0.45 -2.04 0.00 0.00 177.10 177.84 2gbs h HIS 34 N 7.16 0.00 -0.55 1.54 3.86 -2.00 -2.82 115.15 122.35 2gbs h HIS 34 Ca -0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.80 2gbs h HIS 34 Cb 1.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2gbs h HIS 34 CO 0.68 0.00 0.15 1.03 0.86 0.00 0.00 177.93 180.65 2gbs h SER 35 N 0.00 0.82 -0.65 2.45 0.87 -1.97 -0.18 113.55 114.88 2gbs h SER 35 Ca 0.00 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 2gbs h SER 35 Cb 0.74 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 2gbs h SER 35 CO 0.00 0.82 0.11 0.00 -0.53 0.00 0.00 176.83 177.23 2gbs h ALA 36 N 1.03 0.94 -0.79 6.23 0.00 -1.76 -2.39 119.26 122.52 2gbs h ALA 36 Ca 0.17 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gbs h ALA 36 Cb 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2gbs h ALA 36 CO -0.00 0.66 0.50 -0.22 0.00 0.00 0.00 179.25 180.19 2gbs h LYS 37 N 1.02 0.96 -0.49 0.00 3.64 -1.35 -0.46 116.57 119.89 2gbs h LYS 37 Ca 0.20 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2gbs h LYS 37 Cb 0.43 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 2gbs h LYS 37 CO 0.01 0.63 0.27 1.25 -2.27 0.00 0.00 179.45 179.35 2gbs h LEU 38 N 0.98 0.43 -0.91 5.20 5.85 -0.55 0.34 115.31 126.65 2gbs h LEU 38 Ca 0.31 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 2gbs h LEU 38 Cb -0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2gbs h LEU 38 CO -0.11 0.30 -0.38 0.45 -0.34 0.00 0.00 178.44 178.36 2gbs h HIS 39 N 0.54 0.00 -0.07 1.25 3.86 -1.07 -2.77 115.15 116.89 2gbs h HIS 39 Ca 0.20 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.20 2gbs h HIS 39 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2gbs h HIS 39 CO -0.08 0.38 -0.84 1.98 0.86 0.00 0.00 177.93 180.23 2gbs h MET 40 N 0.00 0.56 -0.07 2.45 1.85 -0.17 -2.75 114.93 116.80 2gbs h MET 40 Ca -0.00 -0.51 -0.07 0.00 -0.61 0.00 0.00 59.70 58.51 2gbs h MET 40 Cb 0.91 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 2gbs h MET 40 CO 0.05 1.14 -0.26 0.28 -0.40 0.00 0.00 176.91 177.72 2gbs h VAL 41 N 0.36 1.22 -0.14 -5.77 2.07 -0.83 -2.07 116.25 111.09 2gbs h VAL 41 Ca -0.06 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2gbs h VAL 41 Cb 1.46 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2gbs h VAL 41 CO 0.16 0.30 0.00 0.00 0.02 0.00 0.00 177.57 178.05 2gbs n ALA 42 N -2.48 2.53 -1.52 1.67 0.00 -1.06 -4.89 120.51 114.76 2gbs n ALA 42 Ca -0.01 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 2gbs n ALA 42 Cb 0.34 -1.12 0.19 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.83 0.11 -0.22 0.00 -1.94 -0.78 -5.06 119.30 109.58 2gbs s MET 43 Ca 0.28 -0.10 -0.18 0.00 -1.71 0.00 0.00 55.69 53.99 2gbs s MET 43 Cb 0.15 -1.75 0.06 0.00 2.01 0.00 0.00 34.83 35.29 2gbs s MET 43 CO 0.22 -2.82 0.58 0.50 -0.01 0.00 0.00 175.02 173.49 2gbs s ARG 44 N -5.55 0.64 -0.12 2.03 3.52 -1.26 -4.92 118.95 113.28 2gbs s ARG 44 Ca 0.70 0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 56.89 2gbs s ARG 44 Cb -0.09 0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.49 2gbs s ARG 44 CO 0.54 -0.10 2.00 0.50 -0.81 0.00 0.00 175.30 177.43 2gbs s ARG 45 N 0.71 3.64 0.00 5.12 3.52 -1.26 -0.89 118.95 129.80 2gbs s ARG 45 Ca -0.03 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 2gbs s ARG 45 Cb -0.05 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2gbs s ARG 45 CO -0.05 -1.51 0.00 0.41 -0.81 0.00 0.00 175.30 173.34 2gbs n GLY 46 N 5.08 1.60 3.78 8.12 0.00 0.82 -4.98 105.19 119.61 2gbs n GLY 46 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.94 6.13 -0.06 1.61 1.11 -0.06 -4.79 116.67 118.66 2gbs s ASP 47 Ca 0.00 2.10 0.01 0.00 0.18 0.00 0.00 52.55 54.85 2gbs s ASP 47 Cb 0.00 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 2gbs s ASP 47 CO 0.00 -0.93 -0.09 -0.13 1.18 0.00 0.00 175.17 175.20 2gbs s ARG 48 N -3.07 2.69 0.11 8.23 1.81 -0.47 -1.39 118.95 126.85 2gbs s ARG 48 Ca 0.68 -0.58 0.05 0.00 -1.72 0.00 0.00 55.73 54.16 2gbs s ARG 48 Cb -0.22 -2.54 -0.04 0.00 -0.45 0.00 0.00 34.95 31.70 2gbs s ARG 48 CO 0.26 0.66 -0.13 0.00 -0.68 0.00 0.00 175.30 175.40 2gbs s ALA 49 N -0.79 1.38 -0.04 2.13 0.00 0.53 0.01 121.76 124.97 2gbs s ALA 49 Ca 0.12 -1.23 -0.18 0.00 0.00 0.00 0.00 51.96 50.67 2gbs s ALA 49 Cb -0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2gbs s ALA 49 CO 0.01 0.08 0.50 -0.06 0.00 0.00 0.00 175.76 176.30 2gbs s PHE 50 N -2.09 3.64 -0.47 0.00 0.08 0.58 0.18 117.98 119.90 2gbs s PHE 50 Ca 0.07 1.04 -0.19 0.00 0.12 0.00 0.00 56.93 57.96 2gbs s PHE 50 Cb -0.05 -2.50 0.04 0.00 -0.57 0.00 0.00 43.02 39.93 2gbs s PHE 50 CO 0.02 0.37 0.60 -0.47 -0.10 0.00 0.00 175.22 175.64 2gbs s TYR 51 N -0.15 3.07 -0.19 0.36 6.14 -0.18 -1.28 117.35 125.12 2gbs s TYR 51 Ca 0.27 -0.34 -0.04 0.00 0.64 0.00 0.00 57.07 57.60 2gbs s TYR 51 Cb -0.17 -3.35 -0.02 0.00 0.42 0.00 0.00 41.96 38.84 2gbs s TYR 51 CO 0.14 -0.92 -0.02 -0.47 0.64 0.00 0.00 175.55 174.92 2gbs s TYR 52 N 2.61 3.02 -0.34 4.97 5.04 -0.95 -1.70 117.35 130.01 2gbs s TYR 52 Ca 0.17 -0.50 -0.29 0.00 -2.44 0.00 0.00 57.07 54.02 2gbs s TYR 52 Cb -0.17 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.09 2gbs s TYR 52 CO 0.15 -0.24 1.32 -1.01 -1.34 0.00 0.00 175.55 174.43 2gbs s HIS 53 N 0.92 2.62 -0.01 4.97 3.76 0.14 -1.11 115.29 126.58 2gbs s HIS 53 Ca 0.01 0.81 -0.15 0.00 -0.15 0.00 0.00 55.06 55.58 2gbs s HIS 53 Cb -0.14 -4.03 -0.06 0.00 1.11 0.00 0.00 32.58 29.46 2gbs s HIS 53 CO 0.02 -1.76 0.40 -1.12 -0.85 0.00 0.00 174.74 171.42 2gbs s SER 54 N 3.07 6.80 0.00 1.40 0.01 0.74 -2.25 113.70 123.47 2gbs s SER 54 Ca 0.57 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2gbs s SER 54 Cb -0.15 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2gbs s SER 54 CO 0.26 0.32 0.00 0.59 0.41 0.00 0.00 173.24 174.82 2gbs n ASN 55 N 1.86 0.00 -4.60 2.44 3.02 -1.26 -4.43 115.26 112.29 2gbs n ASN 55 Ca -0.14 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.98 2gbs n ASN 55 Cb 0.52 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 2gbs n ASN 55 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2gbs s GLU 56 N 0.00 3.67 0.00 3.52 0.41 -1.26 -4.09 118.70 120.95 2gbs s GLU 56 Ca 0.00 0.62 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 2gbs s GLU 56 Cb 0.00 -3.94 0.00 0.00 -1.78 0.00 0.00 34.13 28.41 2gbs s GLU 56 CO 0.00 -1.45 0.00 0.41 -0.49 0.00 0.00 175.26 173.73 2gbs n GLY 57 N 4.92 2.48 2.83 -1.39 0.00 -1.26 -4.75 105.19 108.02 2gbs n GLY 57 Ca 0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 -3.53 1.61 5.02 -0.95 -4.72 118.16 113.48 2gbs n LYS 58 Ca 0.00 1.96 -0.18 0.00 -2.02 0.00 0.00 58.31 58.07 2gbs n LYS 58 Cb 0.00 -5.53 -0.06 0.00 -0.02 0.00 0.00 35.03 29.42 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 -2.62 1.05 -0.30 1.97 -1.05 -1.09 0.11 118.70 116.77 2gbs s GLU 59 Ca 0.20 0.21 -0.14 0.00 -0.15 0.00 0.00 54.97 55.08 2gbs s GLU 59 Cb -0.06 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2gbs s GLU 59 CO 0.73 -0.33 0.34 0.42 0.95 0.00 0.00 175.26 177.37 2gbs s ILE 60 N -1.30 5.19 -0.07 1.83 1.01 0.85 0.26 121.20 128.97 2gbs s ILE 60 Ca -0.11 0.31 0.16 0.00 0.00 0.00 0.00 60.65 61.01 2gbs s ILE 60 Cb -0.00 -3.72 -0.24 0.00 0.01 0.00 0.00 42.46 38.51 2gbs s ILE 60 CO 0.09 0.08 0.26 1.33 0.00 0.00 0.00 174.94 176.70 2gbs n VAL 61 N 5.16 0.36 -3.94 2.92 0.24 -0.69 -1.82 118.33 120.56 2gbs n VAL 61 Ca -0.10 -0.48 0.01 0.00 -2.04 0.00 0.00 64.34 61.74 2gbs n VAL 61 Cb 0.50 -0.12 0.01 0.00 -1.47 0.00 0.00 33.84 32.77 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 -4.27 -0.08 -0.21 7.63 0.00 -1.25 -0.22 107.32 108.91 2gbs s GLY 62 Ca -0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 44.72 44.57 2gbs s GLY 62 CO 0.68 4.55 0.02 -0.42 0.00 0.00 0.00 173.10 177.93 2gbs s ILE 63 N -2.08 4.08 0.32 0.90 1.09 0.58 -1.00 121.20 125.09 2gbs s ILE 63 Ca 0.27 -0.27 0.05 0.00 -1.10 0.00 0.00 60.65 59.60 2gbs s ILE 63 Cb -0.01 -2.86 -0.02 0.00 -1.06 0.00 0.00 42.46 38.52 2gbs s ILE 63 CO 0.01 0.42 0.46 0.00 -0.10 0.00 0.00 174.94 175.72 2gbs s ALA 64 N 1.04 4.08 -0.01 9.38 0.00 0.13 -1.63 121.76 134.74 2gbs s ALA 64 Ca 0.02 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.69 2gbs s ALA 64 Cb -0.14 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 2gbs s ALA 64 CO 0.02 0.01 -0.10 -2.00 0.00 0.00 0.00 175.76 173.69 2gbs s GLU 65 N -4.16 0.86 -0.43 0.00 2.12 -0.60 -0.35 118.70 116.15 2gbs s GLU 65 Ca 0.42 -0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 2gbs s GLU 65 Cb -0.09 -0.83 0.02 0.00 0.26 0.00 0.00 34.13 33.49 2gbs s GLU 65 CO 0.31 0.20 1.21 0.42 -0.54 0.00 0.00 175.26 176.87 2gbs s ILE 66 N -0.17 4.16 -0.20 -3.70 -1.09 -0.49 -1.83 121.20 117.89 2gbs s ILE 66 Ca 0.03 1.22 0.15 0.00 -2.23 0.00 0.00 60.65 59.82 2gbs s ILE 66 Cb -0.05 -4.45 0.54 0.00 -1.58 0.00 0.00 42.46 36.93 2gbs s ILE 66 CO -0.00 -0.84 1.45 2.30 -1.23 0.00 0.00 174.94 176.62 2gbs n ILE 67 N 6.72 2.36 -3.65 2.92 -5.35 0.08 -0.13 119.36 122.32 2gbs n ILE 67 Ca 0.13 -1.98 -0.00 0.00 -0.27 0.00 0.00 62.75 60.63 2gbs n ILE 67 Cb 0.48 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 38.05 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 -2.90 0.22 1.05 6.28 3.52 -1.18 -4.89 118.95 121.06 2gbs s ARG 68 Ca 0.43 0.37 -0.12 0.00 -0.13 0.00 0.00 55.73 56.28 2gbs s ARG 68 Cb 0.36 0.05 0.22 0.00 -1.56 0.00 0.00 34.95 34.01 2gbs s ARG 68 CO 0.08 -0.04 1.03 0.39 -0.81 0.00 0.00 175.30 175.94 2gbs n GLU 69 N 3.33 -1.49 -2.15 5.12 4.71 -1.26 -3.11 120.64 125.78 2gbs n GLU 69 Ca -0.18 -0.39 -0.42 0.00 -0.01 0.00 0.00 57.16 56.16 2gbs n GLU 69 Cb 0.57 -2.24 -0.03 0.00 -1.01 0.00 0.00 31.44 28.73 2gbs n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2gbs s ALA 70 N -2.51 3.60 0.22 0.62 0.00 -1.26 -4.58 121.76 117.86 2gbs s ALA 70 Ca 0.67 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.75 2gbs s ALA 70 Cb -0.24 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 2gbs s ALA 70 CO 0.62 -0.82 -0.15 1.52 0.00 0.00 0.00 175.76 176.93 2gbs s TYR 71 N 1.89 1.81 0.18 0.00 1.13 -0.13 -4.85 117.35 117.38 2gbs s TYR 71 Ca 0.66 -0.53 -0.31 0.00 -1.41 0.00 0.00 57.07 55.47 2gbs s TYR 71 Cb -0.35 -0.83 -0.16 0.00 -1.10 0.00 0.00 41.96 39.52 2gbs s TYR 71 CO 0.29 0.42 0.93 -0.35 -2.51 0.00 0.00 175.55 174.33 2gbs n PRO 72 N -0.42 0.72 -1.71 -3.49 -0.04 -1.26 0.19 135.00 128.99 2gbs n PRO 72 Ca -0.07 0.25 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 2gbs n PRO 72 Cb 0.60 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2gbs n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gbs n ASP 73 N 1.77 3.91 0.06 3.54 -0.08 0.51 -4.57 116.55 121.70 2gbs n ASP 73 Ca 0.15 1.04 0.10 0.00 -1.51 0.00 0.00 54.79 54.58 2gbs n ASP 73 Cb 0.24 -1.55 0.43 0.00 2.34 0.00 0.00 41.12 42.58 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 4.35 0.10 -0.35 -0.67 -0.04 -1.26 -2.20 135.00 134.93 2gbs n PRO 74 Ca 0.17 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 2gbs n PRO 74 Cb 0.35 -1.68 0.31 0.00 -0.04 0.00 0.00 33.50 32.44 2gbs n PRO 74 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2gbs n THR 75 N -1.87 0.93 -4.38 0.52 -2.24 -1.26 -4.89 114.28 101.08 2gbs n THR 75 Ca 0.04 -0.96 -0.26 0.00 -2.27 0.00 0.00 64.05 60.59 2gbs n THR 75 Cb 0.24 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 2gbs n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gbs s ASP 76 N -1.06 3.74 0.15 3.42 2.15 -0.93 -5.05 116.67 119.08 2gbs s ASP 76 Ca 0.48 -0.79 0.17 0.00 0.43 0.00 0.00 52.55 52.84 2gbs s ASP 76 Cb 0.25 -0.42 -0.05 0.00 -0.30 0.00 0.00 42.92 42.40 2gbs s ASP 76 CO 0.33 0.10 1.05 0.00 -0.17 0.00 0.00 175.17 176.48 2gbs h ALA 77 N 2.95 0.65 0.00 3.66 0.00 -1.90 -3.41 119.26 121.20 2gbs h ALA 77 Ca -0.46 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 53.70 2gbs h ALA 77 Cb 1.21 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2gbs h ALA 77 CO 0.52 0.69 -1.50 0.45 0.00 0.00 0.00 179.25 179.41 2gbs n SER 78 N -2.96 1.31 0.00 0.00 2.88 -1.26 -5.05 113.62 108.54 2gbs n SER 78 Ca -0.05 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2gbs n SER 78 Cb 0.77 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gbs n GLY 79 N 2.59 0.76 0.18 0.46 0.00 -1.26 -4.98 105.19 102.94 2gbs n GLY 79 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.80 1.61 3.64 -1.94 -3.44 116.57 110.64 2gbs h LYS 80 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2gbs h LYS 80 Cb 0.00 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 2gbs h LYS 80 CO 0.00 0.39 -0.61 -0.06 -2.27 0.00 0.00 179.45 176.90 2gbs s PHE 81 N -4.16 2.51 0.27 1.91 0.08 -1.26 -5.04 117.98 112.30 2gbs s PHE 81 Ca -0.03 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.46 2gbs s PHE 81 Cb 0.14 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.85 2gbs s PHE 81 CO 0.73 0.45 0.04 0.14 -0.10 0.00 0.00 175.22 176.47 2gbs s VAL 82 N -2.65 1.01 -0.12 -0.44 -7.23 -1.26 -0.36 120.40 109.35 2gbs s VAL 82 Ca 0.35 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 2gbs s VAL 82 Cb 0.06 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2gbs s VAL 82 CO 0.18 -0.13 0.33 0.00 -0.31 0.00 0.00 175.10 175.18 2gbs s VAL 84 N 0.17 3.70 -0.23 0.00 -7.23 -1.26 -0.95 120.40 114.61 2gbs s VAL 84 Ca -0.00 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 2gbs s VAL 84 Cb -0.02 -3.27 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 2gbs s VAL 84 CO 0.00 -0.12 0.00 -0.62 -0.31 0.00 0.00 175.10 174.06 2gbs s ASP 85 N -4.19 4.65 0.17 4.85 -1.08 -1.18 -0.20 116.67 119.69 2gbs s ASP 85 Ca 0.47 -0.30 0.11 0.00 -0.52 0.00 0.00 52.55 52.31 2gbs s ASP 85 Cb -0.09 -1.81 -0.04 0.00 -1.46 0.00 0.00 42.92 39.52 2gbs s ASP 85 CO 0.31 -0.01 -0.23 0.27 0.52 0.00 0.00 175.17 176.03 2gbs s ILE 86 N 1.45 2.45 0.21 4.11 -4.36 0.52 -0.74 121.20 124.83 2gbs s ILE 86 Ca 0.05 -1.88 0.06 0.00 -0.26 0.00 0.00 60.65 58.62 2gbs s ILE 86 Cb -0.15 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 2gbs s ILE 86 CO -0.00 -0.05 -0.10 -1.59 0.24 0.00 0.00 174.94 173.44 2gbs s LYS 87 N -2.49 1.30 -0.33 0.37 -2.85 -0.76 -0.90 119.74 114.08 2gbs s LYS 87 Ca 0.19 -1.60 -0.18 0.00 -1.00 0.00 0.00 55.97 53.39 2gbs s LYS 87 Cb -0.09 -0.93 -0.01 0.00 -2.06 0.00 0.00 37.83 34.74 2gbs s LYS 87 CO 0.09 0.10 0.49 0.00 0.10 0.00 0.00 175.35 176.13 2gbs s ALA 88 N -3.13 3.50 -0.09 0.59 0.00 -1.22 -1.56 121.76 119.85 2gbs s ALA 88 Ca 0.23 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 2gbs s ALA 88 Cb 0.02 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 2gbs s ALA 88 CO 0.06 -1.11 -0.10 0.22 0.00 0.00 0.00 175.76 174.84 2gbs h ASP 89 N 8.39 0.00 -3.67 0.00 3.58 -1.63 -3.40 116.42 119.68 2gbs h ASP 89 Ca -0.28 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 56.99 2gbs h ASP 89 Cb 1.13 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.91 2gbs h ASP 89 CO 0.75 0.47 -0.45 -1.59 -2.88 0.00 0.00 179.24 175.53 2gbs s LYS 90 N -1.74 0.25 0.74 0.28 -2.85 -1.12 -5.03 119.74 110.28 2gbs s LYS 90 Ca -0.08 0.40 -0.11 0.00 -1.00 0.00 0.00 55.97 55.17 2gbs s LYS 90 Cb 0.01 0.05 0.04 0.00 -2.06 0.00 0.00 37.83 35.87 2gbs s LYS 90 CO 0.12 -0.08 1.10 -2.14 0.10 0.00 0.00 175.35 174.46 2gbs s PRO 91 N 0.50 2.53 0.38 1.78 0.02 -1.26 -0.31 135.00 138.64 2gbs s PRO 91 Ca -0.03 0.51 -0.19 0.00 0.02 0.00 0.00 61.00 61.31 2gbs s PRO 91 Cb -0.04 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 2gbs s PRO 91 CO -0.03 -1.28 0.86 -0.51 -0.33 0.00 0.00 177.00 175.72 2gbs s LEU 92 N -5.53 4.01 0.27 -5.54 1.43 0.69 -4.80 118.68 109.22 2gbs s LEU 92 Ca 0.59 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 2gbs s LEU 92 Cb -0.12 -4.32 0.39 0.00 0.03 0.00 0.00 46.19 42.16 2gbs s LEU 92 CO 0.53 -0.28 1.71 0.50 0.23 0.00 0.00 176.35 179.03 2gbs h LYS 93 N 2.13 0.49 -3.26 1.70 3.64 -1.80 -3.40 116.57 116.08 2gbs h LYS 93 Ca -0.48 -0.19 -0.46 0.00 -1.27 0.00 0.00 60.65 58.25 2gbs h LYS 93 Cb 1.18 -0.03 -0.40 0.00 -0.41 0.00 0.00 32.23 32.57 2gbs h LYS 93 CO 0.63 0.72 -0.75 0.99 -2.27 0.00 0.00 179.45 178.76 2gbs s THR 94 N -4.47 0.08 0.35 1.00 2.01 0.17 -5.00 115.64 109.78 2gbs s THR 94 Ca -0.07 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 2gbs s THR 94 Cb 0.14 -0.61 -0.11 0.00 0.01 0.00 0.00 72.50 71.93 2gbs s THR 94 CO 0.79 -0.15 1.52 -0.81 -0.69 0.00 0.00 174.62 175.29 2gbs n PRO 95 N 5.22 2.68 -3.72 4.92 -0.04 -1.26 -4.46 135.00 138.34 2gbs n PRO 95 Ca -0.07 0.94 -0.38 0.00 -0.04 0.00 0.00 63.50 63.96 2gbs n PRO 95 Cb 0.49 -2.69 -0.12 0.00 -0.04 0.00 0.00 33.50 31.13 2gbs n PRO 95 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbs s VAL 96 N -0.72 4.16 0.63 0.52 1.01 -0.75 -4.91 120.40 120.34 2gbs s VAL 96 Ca 0.57 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2gbs s VAL 96 Cb -0.48 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2gbs s VAL 96 CO 0.58 0.03 1.07 0.42 0.00 0.00 0.00 175.10 177.20 2gbs s THR 97 N 1.52 3.75 0.28 3.92 -4.23 -1.26 -0.10 115.64 119.52 2gbs s THR 97 Ca 0.03 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 2gbs s THR 97 Cb -0.17 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.62 2gbs s THR 97 CO 0.04 -0.55 1.87 0.25 -0.54 0.00 0.00 174.62 175.69 2gbs h LEU 98 N 0.12 0.96 -1.52 4.79 5.85 -0.62 0.17 115.31 125.07 2gbs h LEU 98 Ca -0.46 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 2gbs h LEU 98 Cb 1.22 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2gbs h LEU 98 CO 0.57 0.57 -0.24 0.00 -0.34 0.00 0.00 178.44 179.00 2gbs h ALA 99 N 1.50 1.31 0.00 1.25 0.00 -1.92 -1.68 119.26 119.72 2gbs h ALA 99 Ca 0.45 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2gbs h ALA 99 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2gbs h ALA 99 CO -0.20 0.30 -0.64 0.00 0.00 0.00 0.00 179.25 178.71 2gbs h ALA 100 N 1.76 0.62 0.00 0.00 0.00 -1.36 -2.96 119.26 117.32 2gbs h ALA 100 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2gbs h ALA 100 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2gbs h ALA 100 CO 0.03 0.80 -0.35 0.28 0.00 0.00 0.00 179.25 180.01 2gbs h VAL 101 N 0.00 0.70 -0.02 0.00 2.07 -0.45 -2.56 116.25 115.99 2gbs h VAL 101 Ca -0.01 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.88 2gbs h VAL 101 Cb 1.44 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2gbs h VAL 101 CO 0.08 0.34 0.00 0.29 0.02 0.00 0.00 177.57 178.31 2gbs n LYS 102 N -3.32 1.23 -0.03 1.57 5.02 -0.76 -3.34 118.16 118.52 2gbs n LYS 102 Ca 0.01 -0.33 -0.11 0.00 -2.02 0.00 0.00 58.31 55.86 2gbs n LYS 102 Cb 0.58 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs h ALA 103 N 4.00 0.18 -4.06 7.82 0.00 -1.38 -3.44 119.26 122.37 2gbs h ALA 103 Ca 0.00 -0.07 -0.69 0.00 0.00 0.00 0.00 54.91 54.15 2gbs h ALA 103 Cb 0.16 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 17.67 2gbs h ALA 103 CO 0.00 -0.28 -0.85 -1.83 0.00 0.00 0.00 179.25 176.29 2gbs s GLU 104 N -5.79 1.74 0.31 0.00 -1.05 -1.26 -5.05 118.70 107.60 2gbs s GLU 104 Ca -0.13 -1.16 0.05 0.00 -0.15 0.00 0.00 54.97 53.57 2gbs s GLU 104 Cb 0.07 -2.01 0.67 0.00 -0.44 0.00 0.00 34.13 32.42 2gbs s GLU 104 CO 0.69 0.50 1.85 -1.35 0.95 0.00 0.00 175.26 177.89 2gbs h PRO 105 N 4.36 0.83 -0.13 -4.83 0.11 -1.90 -1.72 132.00 128.72 2gbs h PRO 105 Ca -0.48 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 2gbs h PRO 105 Cb 1.16 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2gbs h PRO 105 CO 0.43 0.55 -0.34 -0.09 -0.21 0.00 0.00 178.00 178.34 2gbs h ARG 106 N 0.86 0.27 0.00 1.05 2.43 -1.96 -2.02 114.38 115.00 2gbs h ARG 106 Ca 0.48 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.41 2gbs h ARG 106 Cb 0.60 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2gbs h ARG 106 CO -0.25 0.59 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.12 2gbs h LEU 107 N 0.24 0.00 -0.07 3.80 3.38 -1.54 -2.98 115.31 118.13 2gbs h LEU 107 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2gbs h LEU 107 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2gbs h LEU 107 CO 0.05 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2gbs n ALA 108 N -2.28 2.12 0.66 1.53 0.00 -0.82 -2.75 120.51 118.96 2gbs n ALA 108 Ca 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2gbs n ALA 108 Cb 0.73 -1.42 0.24 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.74 2.94 -4.82 0.00 2.03 -0.84 -4.67 116.55 109.45 2gbs n ASP 109 Ca 0.06 -1.92 -0.32 0.00 0.52 0.00 0.00 54.79 53.13 2gbs n ASP 109 Cb 0.32 -0.17 0.02 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.65 3.30 0.60 -0.67 1.75 -1.11 -4.91 119.30 116.61 2gbs s MET 110 Ca 0.36 1.06 0.38 0.00 -1.25 0.00 0.00 55.69 56.24 2gbs s MET 110 Cb 0.21 -2.04 2.09 0.00 2.84 0.00 0.00 34.83 37.94 2gbs s MET 110 CO 0.30 -0.81 2.18 0.00 -0.65 0.00 0.00 175.02 176.04 2gbs h ALA 111 N 0.09 1.05 -0.53 4.11 0.00 -1.91 -1.12 119.26 120.95 2gbs h ALA 111 Ca -0.46 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2gbs h ALA 111 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2gbs h ALA 111 CO 0.58 -0.05 0.35 1.25 0.00 0.00 0.00 179.25 181.38 2gbs h LEU 112 N 0.00 0.58 0.00 0.00 5.85 -1.91 0.35 115.31 120.18 2gbs h LEU 112 Ca 0.00 -0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 2gbs h LEU 112 Cb 0.10 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2gbs h LEU 112 CO 0.00 0.41 -1.78 0.23 -0.34 0.00 0.00 178.44 176.97 2gbs n MET 113 N -4.46 0.64 0.01 1.25 2.81 -0.45 -4.35 117.12 112.57 2gbs n MET 113 Ca 0.05 0.19 -0.18 0.00 -1.81 0.00 0.00 57.70 55.96 2gbs n MET 113 Cb 0.08 -1.73 -0.14 0.00 -0.71 0.00 0.00 33.22 30.72 2gbs n MET 113 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2gbs h LYS 114 N 0.00 0.20 -4.61 0.03 1.57 -1.26 -3.44 116.57 109.06 2gbs h LYS 114 Ca -0.29 -0.32 -0.69 0.00 -1.87 0.00 0.00 60.65 57.47 2gbs h LYS 114 Cb 1.90 0.12 -0.33 0.00 0.08 0.00 0.00 32.23 34.00 2gbs h LYS 114 CO 0.06 1.15 -0.61 0.71 -0.57 0.00 0.00 179.45 180.18 2gbs s TYR 115 N -2.40 3.44 -0.07 -1.35 1.51 0.12 -4.89 117.35 113.71 2gbs s TYR 115 Ca -0.15 -2.11 0.14 0.00 -1.01 0.00 0.00 57.07 53.94 2gbs s TYR 115 Cb -0.00 -2.71 -0.16 0.00 -0.11 0.00 0.00 41.96 38.97 2gbs s TYR 115 CO 0.78 -0.88 0.87 0.66 -1.11 0.00 0.00 175.55 175.87 2gbs h SER 116 N 8.05 0.00 1.11 2.29 4.64 -1.81 -3.34 113.55 124.49 2gbs h SER 116 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2gbs h SER 116 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2gbs h SER 116 CO 0.63 0.78 -0.10 -1.14 -0.87 0.00 0.00 176.83 176.13 2gbs n ARG 117 N -3.03 0.12 -2.89 4.77 3.00 -1.26 -4.57 116.66 112.80 2gbs n ARG 117 Ca -0.10 0.08 -0.44 0.00 -0.00 0.00 0.00 57.85 57.40 2gbs n ARG 117 Cb 0.92 -1.62 -0.02 0.00 0.00 0.00 0.00 32.46 31.73 2gbs n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2gbs s LEU 118 N -3.65 4.88 0.26 6.15 2.96 -1.25 -4.85 118.68 123.17 2gbs s LEU 118 Ca 0.12 -2.03 -0.05 0.00 -0.22 0.00 0.00 54.13 51.94 2gbs s LEU 118 Cb 0.16 -2.42 0.29 0.00 0.50 0.00 0.00 46.19 44.72 2gbs s LEU 118 CO 0.59 -1.10 1.93 0.28 -1.32 0.00 0.00 176.35 176.73 2gbs h SER 119 N 8.85 1.13 -3.65 3.68 0.02 -1.90 -3.36 113.55 118.32 2gbs h SER 119 Ca 0.17 -0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 60.41 2gbs h SER 119 Cb 1.01 -0.28 -0.36 0.00 0.14 0.00 0.00 62.40 62.91 2gbs h SER 119 CO 1.15 0.82 -0.66 -0.69 -1.14 0.00 0.00 176.83 176.31 2gbs s VAL 120 N -6.09 2.81 0.14 2.27 1.01 -1.26 -1.54 120.40 117.74 2gbs s VAL 120 Ca -0.13 -1.94 0.11 0.00 0.00 0.00 0.00 61.98 60.02 2gbs s VAL 120 Cb 0.18 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2gbs s VAL 120 CO 0.82 -0.46 -0.26 0.00 0.00 0.00 0.00 175.10 175.20 2gbs s GLN 121 N 1.09 1.39 0.36 2.72 -2.07 -0.37 -4.61 119.66 118.17 2gbs s GLN 121 Ca 0.04 -1.37 -0.14 0.00 -1.82 0.00 0.00 55.36 52.08 2gbs s GLN 121 Cb -0.21 -1.83 -0.08 0.00 -1.09 0.00 0.00 33.01 29.80 2gbs s GLN 121 CO -0.05 0.42 0.76 -1.25 -1.32 0.00 0.00 175.29 173.86 2gbs s PRO 122 N -2.18 3.94 -0.03 9.60 0.04 -1.26 0.25 135.00 145.36 2gbs s PRO 122 Ca 0.15 0.63 0.05 0.00 0.04 0.00 0.00 61.00 61.87 2gbs s PRO 122 Cb -0.10 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 2gbs s PRO 122 CO 0.07 0.07 -0.20 0.08 0.04 0.00 0.00 177.00 177.06 2gbs s VAL 123 N -2.14 1.59 0.42 -0.36 1.01 0.54 -4.72 120.40 116.75 2gbs s VAL 123 Ca 0.54 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 2gbs s VAL 123 Cb -0.10 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.83 2gbs s VAL 123 CO 0.22 0.45 0.93 0.42 0.00 0.00 0.00 175.10 177.12 2gbs s THR 124 N -0.23 4.44 0.13 3.92 -4.23 -1.26 -4.06 115.64 114.35 2gbs s THR 124 Ca 0.02 1.40 -0.23 0.00 -1.18 0.00 0.00 61.69 61.70 2gbs s THR 124 Cb -0.10 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 2gbs s THR 124 CO 0.01 -0.33 1.65 0.00 -0.54 0.00 0.00 174.62 175.41 2gbs h ALA 125 N 1.87 -0.14 -0.18 3.99 0.00 -1.98 0.19 119.26 123.02 2gbs h ALA 125 Ca -0.49 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 125 Cb 1.18 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2gbs h ALA 125 CO 0.62 -0.65 -0.17 1.49 0.00 0.00 0.00 179.25 180.53 2gbs h GLU 126 N -0.25 0.30 0.00 0.00 4.81 -1.98 0.23 114.58 117.70 2gbs h GLU 126 Ca 0.09 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 2gbs h GLU 126 Cb 0.38 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.74 2gbs h GLU 126 CO -0.26 0.47 -0.68 0.93 -0.73 0.00 0.00 179.01 178.74 2gbs h GLU 127 N 0.28 0.45 -0.30 1.92 3.07 -1.83 -0.53 114.58 117.64 2gbs h GLU 127 Ca 0.05 -0.49 0.06 0.00 -0.50 0.00 0.00 59.36 58.48 2gbs h GLU 127 Cb 0.48 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 28.47 2gbs h GLU 127 CO 0.03 1.15 -0.11 2.35 -1.40 0.00 0.00 179.01 181.03 2gbs h TRP 128 N -0.03 -0.25 -0.28 4.33 2.91 -0.27 -0.77 115.95 121.59 2gbs h TRP 128 Ca -0.09 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 2gbs h TRP 128 Cb 1.39 0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 2gbs h TRP 128 CO 0.14 -0.17 0.08 0.87 -1.03 0.00 0.00 178.44 178.33 2gbs h LYS 129 N -0.05 0.39 0.27 2.65 1.79 -0.52 -1.48 116.57 119.61 2gbs h LYS 129 Ca 0.15 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2gbs h LYS 129 Cb 0.28 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2gbs h LYS 129 CO -0.34 0.35 -0.13 1.25 -1.08 0.00 0.00 179.45 179.50 2gbs h LEU 130 N 0.39 -0.31 -1.00 2.94 5.85 -0.26 -2.38 115.31 120.54 2gbs h LEU 130 Ca 0.10 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2gbs h LEU 130 Cb 0.13 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2gbs h LEU 130 CO -0.01 -0.01 0.66 0.58 -0.34 0.00 0.00 178.44 179.32 2gbs h VAL 131 N -0.62 1.22 0.55 1.05 2.07 -0.83 0.39 116.25 120.09 2gbs h VAL 131 Ca -0.04 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2gbs h VAL 131 Cb 0.45 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2gbs h VAL 131 CO 0.06 0.24 -0.48 0.00 0.02 0.00 0.00 177.57 177.41 2gbs h LYS 133 N -1.01 0.60 -0.62 0.00 3.64 -1.10 -1.04 116.57 117.04 2gbs h LYS 133 Ca -0.07 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 2gbs h LYS 133 Cb 0.86 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2gbs h LYS 133 CO -0.02 0.57 0.21 1.98 -2.27 0.00 0.00 179.45 179.92 2gbs h MET 134 N 0.59 0.93 -0.92 1.90 4.05 0.08 -1.60 114.93 119.96 2gbs h MET 134 Ca 0.13 -0.17 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 2gbs h MET 134 Cb 0.25 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2gbs h MET 134 CO -0.00 0.79 0.06 0.41 0.23 0.00 0.00 176.91 178.40 2gbs n GLY 135 N -0.93 2.20 2.26 1.39 0.00 0.44 -4.84 105.19 105.71 2gbs n GLY 135 Ca 0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 0.13 0.13 0.20 -0.02 0.00 -0.60 -0.66 105.19 104.37 2gbs n GLY 136 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.74 0.45 -3.52 0.99 7.94 -0.46 -4.50 117.00 116.16 2gbs n LEU 137 Ca -0.15 -0.23 -0.39 0.00 -1.11 0.00 0.00 56.01 54.14 2gbs n LEU 137 Cb 0.58 -0.16 -0.02 0.00 0.53 0.00 0.00 43.42 44.34 2gbs n LEU 137 CO 0.18 0.10 2.72 0.18 -1.11 0.00 0.00 177.39 179.46 2gbs n LEU 138 N -0.29 6.54 -4.58 -1.96 4.77 -1.26 -4.83 117.00 115.39 2gbs n LEU 138 Ca 0.01 -3.78 -0.40 0.00 -0.03 0.00 0.00 56.01 51.82 2gbs n LEU 138 Cb 0.10 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 39.73 2gbs n LEU 138 CO 0.01 1.00 1.78 -0.70 -1.33 0.00 0.00 177.39 178.15 2gbs s GLU 139 N 3.32 3.61 -0.59 3.23 2.56 -1.26 -4.92 118.70 124.65 2gbs s GLU 139 Ca 0.54 -1.63 -0.26 0.00 0.00 0.00 0.00 54.97 53.61 2gbs s GLU 139 Cb 0.15 -5.44 -0.03 0.00 2.00 0.00 0.00 34.13 30.80 2gbs s GLU 139 CO -0.03 -2.58 1.98 -1.58 -0.56 0.00 0.00 175.26 172.49 2gbs s HIS 140 N 5.73 1.53 0.11 5.30 5.65 -1.26 -4.85 115.29 127.51 2gbs s HIS 140 Ca 0.56 0.96 -0.22 0.00 0.25 0.00 0.00 55.06 56.61 2gbs s HIS 140 Cb 0.02 -3.98 -0.07 0.00 -1.18 0.00 0.00 32.58 27.37 2gbs s HIS 140 CO 0.05 -2.34 1.70 1.25 -0.65 0.00 0.00 174.74 174.75 2gbs h HIS 141 N 15.89 -0.16 -2.13 3.88 2.76 -2.01 -3.32 115.15 130.07 2gbs h HIS 141 Ca -0.25 0.01 -0.69 0.00 -2.20 0.00 0.00 60.37 57.24 2gbs h HIS 141 Cb 1.18 0.08 -0.16 0.00 1.55 0.00 0.00 27.41 30.06 2gbs h HIS 141 CO 1.03 -0.10 1.08 -1.58 -1.30 0.00 0.00 177.93 177.06 2gbs s HIS 142 N -6.18 3.12 0.80 5.26 2.46 -1.26 -5.00 115.29 114.48 2gbs s HIS 142 Ca -0.14 -1.49 -0.12 0.00 0.47 0.00 0.00 55.06 53.78 2gbs s HIS 142 Cb 0.09 -4.36 0.07 0.00 -0.13 0.00 0.00 32.58 28.25 2gbs s HIS 142 CO 0.67 -1.54 1.12 -1.01 -2.47 0.00 0.00 174.74 171.52 2gbs s HIS 143 N 2.79 2.93 0.25 3.88 3.76 -1.25 -5.09 115.29 122.55 2gbs s HIS 143 Ca 0.37 0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 56.14 2gbs s HIS 143 Cb -0.03 -3.24 -0.01 0.00 1.11 0.00 0.00 32.58 30.41 2gbs s HIS 143 CO -0.07 -1.73 0.47 -3.38 -0.85 0.00 0.00 174.74 169.18 2gbs s HIS 144 N -3.32 0.39 -1.88 1.40 -3.43 -1.26 -5.24 115.29 101.95 2gbs s HIS 144 Ca 0.61 -0.75 0.15 0.00 -0.80 0.00 0.00 55.06 54.27 2gbs s HIS 144 Cb -0.13 0.17 0.12 0.00 -1.43 0.00 0.00 32.58 31.31 2gbs s HIS 144 CO 0.52 -0.99 0.98 0.72 -2.00 0.00 0.00 174.74 173.97