#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs n ALA 2 N 0.00 0.09 -3.28 1.55 0.00 -1.26 -4.93 120.51 112.69 2gbs n ALA 2 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 2gbs n ALA 2 Cb 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 19.45 19.50 2gbs n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gbs s TYR 3 N -1.87 2.39 0.35 0.00 2.02 -1.25 -1.22 117.35 117.77 2gbs s TYR 3 Ca 0.04 -0.98 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 2gbs s TYR 3 Cb 0.00 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.94 2gbs s TYR 3 CO 0.03 -0.41 0.14 0.91 -1.57 0.00 0.00 175.55 174.65 2gbs n TRP 4 N 3.59 0.04 -3.68 2.71 7.02 0.54 -0.34 117.44 127.32 2gbs n TRP 4 Ca -0.20 -2.33 -0.16 0.00 -1.02 0.00 0.00 57.50 53.80 2gbs n TRP 4 Cb 0.53 0.02 -0.15 0.00 -2.42 0.00 0.00 31.31 29.29 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 0.02 0.04 -0.99 0.20 0.12 -0.54 118.68 117.54 2gbs s LEU 5 Ca 0.20 0.38 0.06 0.00 0.69 0.00 0.00 54.13 55.46 2gbs s LEU 5 Cb 0.01 0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 46.11 2gbs s LEU 5 CO 0.14 -0.23 -0.14 0.68 -0.29 0.00 0.00 176.35 176.51 2gbs s VAL 6 N 2.11 3.10 -0.21 1.68 -7.23 -0.64 -0.92 120.40 118.28 2gbs s VAL 6 Ca 0.00 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 2gbs s VAL 6 Cb -0.12 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 2gbs s VAL 6 CO -0.06 0.33 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.50 2gbs s LYS 7 N -1.52 3.51 -0.03 4.82 1.02 -1.22 -1.78 119.74 124.54 2gbs s LYS 7 Ca 0.16 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.61 2gbs s LYS 7 Cb -0.11 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 2gbs s LYS 7 CO 0.07 -0.09 -0.11 0.45 -0.92 0.00 0.00 175.35 174.75 2gbs s SER 8 N 1.25 1.41 -0.14 2.83 0.15 0.44 -4.87 113.70 114.77 2gbs s SER 8 Ca 0.03 -0.22 -0.18 0.00 0.70 0.00 0.00 55.95 56.28 2gbs s SER 8 Cb -0.15 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 2gbs s SER 8 CO 0.00 0.09 0.47 -1.61 1.20 0.00 0.00 173.24 173.40 2gbs s GLU 9 N 0.08 4.31 0.63 5.44 2.02 -1.26 -0.67 118.70 129.24 2gbs s GLU 9 Ca -0.02 0.42 0.39 0.00 0.02 0.00 0.00 54.97 55.78 2gbs s GLU 9 Cb -0.08 -3.46 2.10 0.00 0.10 0.00 0.00 34.13 32.79 2gbs s GLU 9 CO 0.01 0.11 2.28 -1.00 0.02 0.00 0.00 175.26 176.67 2gbs h PRO 10 N 6.85 0.00 0.00 0.39 0.13 -1.74 0.28 132.00 137.92 2gbs h PRO 10 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2gbs h PRO 10 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2gbs h PRO 10 CO 0.75 0.01 -0.42 1.03 -0.23 0.00 0.00 178.00 179.14 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.87 -1.93 -3.32 113.55 110.61 2gbs h SER 11 Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2gbs h SER 11 Cb 0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2gbs h SER 11 CO 0.00 0.42 -1.91 0.52 -0.53 0.00 0.00 176.83 175.33 2gbs n VAL 12 N -3.60 1.52 -3.80 2.23 0.31 0.14 -4.94 118.33 110.19 2gbs n VAL 12 Ca -0.00 -0.18 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 2gbs n VAL 12 Cb 0.53 -2.04 -0.17 0.00 -0.91 0.00 0.00 33.84 31.25 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 -2.57 1.13 0.64 3.52 -0.11 0.76 -5.05 118.94 117.27 2gbs s TRP 13 Ca -0.34 -0.71 0.01 0.00 1.22 0.00 0.00 56.10 56.28 2gbs s TRP 13 Cb 0.11 -1.05 0.09 0.00 -1.50 0.00 0.00 33.47 31.11 2gbs s TRP 13 CO 0.47 -0.52 0.89 0.45 -4.62 0.00 0.00 176.95 173.63 2gbs s SER 14 N 1.82 4.76 -0.11 5.86 0.15 -1.25 -3.57 113.70 121.37 2gbs s SER 14 Ca 0.02 -0.28 -0.20 0.00 0.70 0.00 0.00 55.95 56.18 2gbs s SER 14 Cb -0.15 -0.30 -0.17 0.00 -1.71 0.00 0.00 66.02 63.68 2gbs s SER 14 CO -0.07 -1.55 0.63 -0.25 1.20 0.00 0.00 173.24 173.20 2gbs h TRP 15 N -0.24 -0.04 -0.67 3.44 -0.00 -1.97 -3.13 115.95 113.34 2gbs h TRP 15 Ca -0.38 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 58.63 2gbs h TRP 15 Cb 1.28 0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 30.41 2gbs h TRP 15 CO 0.08 0.59 0.45 -0.44 -0.00 0.00 0.00 178.44 179.11 2gbs h ASP 16 N -0.95 0.38 -0.91 2.65 5.19 -1.98 0.59 116.42 121.40 2gbs h ASP 16 Ca -0.00 0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.53 2gbs h ASP 16 Cb 0.64 -0.07 -0.07 0.00 0.18 0.00 0.00 39.33 40.02 2gbs h ASP 16 CO 0.01 0.22 0.58 -0.61 -3.12 0.00 0.00 179.24 176.32 2gbs h GLN 17 N 0.42 0.83 0.00 3.56 5.75 -1.96 -0.01 115.11 123.70 2gbs h GLN 17 Ca 0.32 -0.05 -0.23 0.00 -0.15 0.00 0.00 58.65 58.54 2gbs h GLN 17 Cb 0.66 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 2gbs h GLN 17 CO -0.09 0.55 -1.57 0.94 -2.65 0.00 0.00 178.83 176.01 2gbs n GLN 18 N -4.55 0.63 -0.15 1.69 -0.06 0.03 -3.64 117.38 111.32 2gbs n GLN 18 Ca 0.16 0.26 -0.10 0.00 -2.00 0.00 0.00 57.00 55.33 2gbs n GLN 18 Cb 0.35 -1.80 -0.00 0.00 -4.06 0.00 0.00 30.24 24.73 2gbs n GLN 18 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2gbs h VAL 19 N 0.00 1.24 0.00 1.69 2.07 -0.46 -1.36 116.25 119.44 2gbs h VAL 19 Ca -0.23 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2gbs h VAL 19 Cb 1.80 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2gbs h VAL 19 CO 0.06 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.96 2gbs n ALA 20 N -2.38 1.53 -1.21 1.67 0.00 -0.08 -1.38 120.51 118.66 2gbs n ALA 20 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2gbs n ALA 20 Cb 0.24 -1.29 0.23 0.00 0.00 0.00 0.00 19.45 18.62 2gbs n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gbs n LYS 21 N -1.93 2.35 -0.05 0.00 5.02 -0.59 -4.74 118.16 118.22 2gbs n LYS 21 Ca 0.02 -2.99 -0.10 0.00 -2.02 0.00 0.00 58.31 53.22 2gbs n LYS 21 Cb 0.17 -1.83 -0.03 0.00 -0.02 0.00 0.00 35.03 33.31 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbs h GLY 22 N 1.35 0.31 0.15 0.72 0.00 -0.36 0.26 103.07 105.49 2gbs h GLY 22 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gbs h GLY 22 CO 0.32 0.12 -0.12 0.00 0.00 0.00 0.00 176.54 176.86 2gbs n ALA 23 N -2.16 2.80 -0.09 3.60 0.00 -1.26 -4.24 120.51 119.16 2gbs n ALA 23 Ca -0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 2gbs n ALA 23 Cb 0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.42 0.79 0.00 0.00 0.00 -0.86 -5.12 120.51 114.90 2gbs n ALA 24 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2gbs n ALA 24 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 1.48 -0.97 3.12 0.00 0.00 0.86 -5.06 105.19 104.63 2gbs n GLY 25 Ca -0.18 -1.45 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.12 1.05 -0.21 1.61 0.41 -0.56 -4.91 118.70 111.96 2gbs s GLU 26 Ca 0.00 -0.62 -0.25 0.00 -0.41 0.00 0.00 54.97 53.69 2gbs s GLU 26 Cb 0.00 -1.04 -0.01 0.00 -1.78 0.00 0.00 34.13 31.31 2gbs s GLU 26 CO 0.00 0.27 0.83 0.00 -0.49 0.00 0.00 175.26 175.87 2gbs s ALA 27 N -0.56 3.60 -1.23 5.21 0.00 -1.26 -0.47 121.76 127.05 2gbs s ALA 27 Ca 0.04 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 2gbs s ALA 27 Cb -0.06 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 2gbs s ALA 27 CO 0.00 -0.81 1.86 1.87 0.00 0.00 0.00 175.76 178.68 2gbs n TRP 28 N 5.69 3.64 -3.22 0.00 -0.00 0.75 -4.92 117.44 119.37 2gbs n TRP 28 Ca 0.05 -2.22 -0.18 0.00 -0.00 0.00 0.00 57.50 55.15 2gbs n TRP 28 Cb 0.48 -2.57 -0.00 0.00 -0.00 0.00 0.00 31.31 29.21 2gbs n TRP 28 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2gbs s THR 29 N 7.03 2.99 -0.13 5.87 -4.23 -1.26 -4.25 115.64 121.66 2gbs s THR 29 Ca 0.60 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2gbs s THR 29 Cb 0.03 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2gbs s THR 29 CO 0.10 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2gbs n GLY 30 N -1.74 0.48 3.53 3.99 0.00 -1.26 -4.97 105.19 105.23 2gbs n GLY 30 Ca 0.06 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.04 4.04 -0.93 1.61 -7.23 -1.26 -4.77 120.40 109.81 2gbs s VAL 31 Ca 0.00 -0.54 0.25 0.00 -1.81 0.00 0.00 61.98 59.88 2gbs s VAL 31 Cb 0.00 -4.94 0.03 0.00 0.56 0.00 0.00 36.38 32.03 2gbs s VAL 31 CO 0.00 -1.80 1.43 -2.11 -0.31 0.00 0.00 175.10 172.31 2gbs n ARG 32 N 8.52 0.05 -2.53 4.82 1.85 -1.26 -4.76 116.66 123.35 2gbs n ARG 32 Ca 0.20 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.63 2gbs n ARG 32 Cb 0.50 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.35 2gbs n ARG 32 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2gbs s ASN 33 N -3.22 6.89 0.32 2.89 3.84 -1.26 -4.92 114.94 119.48 2gbs s ASN 33 Ca 0.10 1.29 0.17 0.00 0.21 0.00 0.00 52.86 54.63 2gbs s ASN 33 Cb 0.17 -2.54 0.41 0.00 -0.55 0.00 0.00 41.25 38.74 2gbs s ASN 33 CO 0.69 -0.88 1.60 0.45 -2.79 0.00 0.00 177.10 176.18 2gbs h HIS 34 N 8.34 0.00 -0.06 0.43 3.86 -1.98 -1.80 115.15 123.94 2gbs h HIS 34 Ca -0.23 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 2gbs h HIS 34 Cb 1.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2gbs h HIS 34 CO 0.83 0.46 0.01 1.03 0.86 0.00 0.00 177.93 181.12 2gbs h SER 35 N 0.00 0.09 -0.54 2.45 0.87 -1.98 0.20 113.55 114.64 2gbs h SER 35 Ca -0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 2gbs h SER 35 Cb 1.12 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 2gbs h SER 35 CO 0.06 0.33 0.31 0.00 -0.53 0.00 0.00 176.83 177.01 2gbs h ALA 36 N 0.76 0.69 -0.44 6.23 0.00 -1.82 -2.50 119.26 122.17 2gbs h ALA 36 Ca 0.02 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2gbs h ALA 36 Cb 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2gbs h ALA 36 CO 0.00 0.18 0.20 -0.22 0.00 0.00 0.00 179.25 179.42 2gbs h LYS 37 N 0.72 0.40 -0.89 0.00 3.64 -1.18 -1.02 116.57 118.24 2gbs h LYS 37 Ca 0.19 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2gbs h LYS 37 Cb 0.01 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.67 2gbs h LYS 37 CO -0.03 0.26 0.55 1.25 -2.27 0.00 0.00 179.45 179.21 2gbs h LEU 38 N 0.41 0.86 -0.66 5.20 5.85 -0.27 -0.37 115.31 126.32 2gbs h LEU 38 Ca 0.19 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.79 2gbs h LEU 38 Cb 0.13 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2gbs h LEU 38 CO -0.15 0.54 -0.62 0.45 -0.34 0.00 0.00 178.44 178.31 2gbs h HIS 39 N 0.99 0.22 0.00 1.25 3.86 -1.02 -2.99 115.15 117.46 2gbs h HIS 39 Ca 0.40 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2gbs h HIS 39 Cb 0.21 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2gbs h HIS 39 CO -0.03 0.75 0.00 1.98 0.86 0.00 0.00 177.93 181.49 2gbs h MET 40 N 0.12 0.00 0.00 2.45 1.85 0.02 -2.78 114.93 116.59 2gbs h MET 40 Ca -0.01 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.97 2gbs h MET 40 Cb 1.13 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.14 2gbs h MET 40 CO 0.09 0.00 -0.55 0.28 -0.40 0.00 0.00 176.91 176.33 2gbs h VAL 41 N 0.00 1.30 0.00 -5.77 2.07 -0.96 -2.79 116.25 110.10 2gbs h VAL 41 Ca 0.00 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 2gbs h VAL 41 Cb 0.86 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2gbs h VAL 41 CO 0.00 0.54 -0.11 0.00 0.02 0.00 0.00 177.57 178.02 2gbs h ALA 42 N 1.45 0.95 -2.87 1.67 0.00 -1.51 -3.45 119.26 115.49 2gbs h ALA 42 Ca -0.01 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 2gbs h ALA 42 Cb 1.04 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.87 2gbs h ALA 42 CO 0.07 0.14 0.63 -1.64 0.00 0.00 0.00 179.25 178.45 2gbs s MET 43 N -3.36 4.32 0.41 0.00 -1.94 -1.05 -4.80 119.30 112.88 2gbs s MET 43 Ca 0.04 2.19 0.05 0.00 -1.71 0.00 0.00 55.69 56.26 2gbs s MET 43 Cb 0.07 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 2gbs s MET 43 CO 0.64 -0.21 0.18 1.03 -0.01 0.00 0.00 175.02 176.66 2gbs s ARG 44 N -1.84 1.96 -0.09 2.03 0.52 -1.26 -4.36 118.95 115.91 2gbs s ARG 44 Ca 0.50 -2.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.21 2gbs s ARG 44 Cb -0.39 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 34.67 2gbs s ARG 44 CO 0.52 -0.57 1.70 0.50 0.02 0.00 0.00 175.30 177.46 2gbs s ARG 45 N -3.59 4.04 0.00 3.54 3.52 -1.26 -1.71 118.95 123.50 2gbs s ARG 45 Ca 0.26 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 2gbs s ARG 45 Cb 0.01 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2gbs s ARG 45 CO 0.18 -1.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.07 2gbs n GLY 46 N 4.36 2.01 3.77 8.12 0.00 -0.05 -4.72 105.19 118.67 2gbs n GLY 46 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.82 6.28 0.01 1.61 1.11 -0.69 -4.69 116.67 118.48 2gbs s ASP 47 Ca 0.00 2.68 0.06 0.00 0.18 0.00 0.00 52.55 55.47 2gbs s ASP 47 Cb 0.00 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 2gbs s ASP 47 CO 0.00 -0.87 -0.19 -0.13 1.18 0.00 0.00 175.17 175.16 2gbs s ARG 48 N -2.25 1.39 0.22 8.23 0.52 -0.36 -0.16 118.95 126.54 2gbs s ARG 48 Ca 0.57 -0.76 0.04 0.00 -0.52 0.00 0.00 55.73 55.06 2gbs s ARG 48 Cb -0.39 -1.41 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 2gbs s ARG 48 CO 0.50 0.37 -0.03 0.00 0.02 0.00 0.00 175.30 176.16 2gbs s ALA 49 N -0.60 1.84 -0.14 2.13 0.00 0.67 -0.34 121.76 125.32 2gbs s ALA 49 Ca 0.07 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 2gbs s ALA 49 Cb -0.08 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 2gbs s ALA 49 CO 0.00 -0.19 0.58 -0.06 0.00 0.00 0.00 175.76 176.10 2gbs s PHE 50 N -3.33 3.46 -0.84 0.00 0.08 0.30 -0.89 117.98 116.77 2gbs s PHE 50 Ca 0.27 0.96 -0.23 0.00 0.12 0.00 0.00 56.93 58.05 2gbs s PHE 50 Cb 0.05 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 39.86 2gbs s PHE 50 CO 0.08 0.00 1.21 -0.47 -0.10 0.00 0.00 175.22 175.94 2gbs s TYR 51 N 1.22 2.65 -0.24 0.36 5.04 0.11 -1.62 117.35 124.88 2gbs s TYR 51 Ca 0.29 -0.72 -0.09 0.00 -2.44 0.00 0.00 57.07 54.11 2gbs s TYR 51 Cb -0.16 -4.48 -0.04 0.00 0.35 0.00 0.00 41.96 37.63 2gbs s TYR 51 CO 0.12 -1.79 0.12 -0.47 -1.34 0.00 0.00 175.55 172.19 2gbs s TYR 52 N 4.37 3.21 -0.22 4.97 5.04 -0.73 -1.52 117.35 132.46 2gbs s TYR 52 Ca 0.34 -0.02 -0.27 0.00 -2.44 0.00 0.00 57.07 54.68 2gbs s TYR 52 Cb -0.07 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 40.00 2gbs s TYR 52 CO 0.01 -0.08 0.96 -1.01 -1.34 0.00 0.00 175.55 174.09 2gbs s HIS 53 N 1.21 3.35 0.34 4.97 3.76 0.77 -0.42 115.29 129.26 2gbs s HIS 53 Ca 0.06 1.37 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 2gbs s HIS 53 Cb -0.14 -3.18 -0.01 0.00 1.11 0.00 0.00 32.58 30.35 2gbs s HIS 53 CO 0.05 -0.43 0.48 0.45 -0.85 0.00 0.00 174.74 174.44 2gbs s SER 54 N 1.23 5.97 0.00 1.40 0.15 0.15 -0.77 113.70 121.83 2gbs s SER 54 Ca 0.41 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2gbs s SER 54 Cb -0.15 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2gbs s SER 54 CO 0.08 -0.44 0.00 -3.20 1.20 0.00 0.00 173.24 170.87 2gbs n ASN 55 N -1.66 0.00 -4.30 5.45 2.85 -1.26 -4.27 115.26 112.07 2gbs n ASN 55 Ca -0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 2gbs n ASN 55 Cb 0.58 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.48 2gbs n ASN 55 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2gbs s GLU 56 N 0.00 2.67 0.00 1.20 2.02 -1.26 -4.60 118.70 118.73 2gbs s GLU 56 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.82 2gbs s GLU 56 Cb 0.00 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2gbs s GLU 56 CO 0.00 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2gbs n GLY 57 N 4.86 2.82 3.52 -1.39 0.00 -1.26 -4.63 105.19 109.10 2gbs n GLY 57 Ca -0.12 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.03 -3.72 1.61 5.02 0.05 -4.75 118.16 113.34 2gbs n LYS 58 Ca 0.00 0.68 -0.14 0.00 -2.02 0.00 0.00 58.31 56.83 2gbs n LYS 58 Cb 0.00 -5.15 -0.09 0.00 -0.02 0.00 0.00 35.03 29.77 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 -5.38 0.61 -0.30 1.97 -1.05 -0.92 -0.01 118.70 113.61 2gbs s GLU 59 Ca 0.30 0.25 -0.23 0.00 -0.15 0.00 0.00 54.97 55.14 2gbs s GLU 59 Cb -0.07 0.29 -0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2gbs s GLU 59 CO 0.80 -0.13 0.78 0.42 0.95 0.00 0.00 175.26 178.07 2gbs s ILE 60 N -0.51 4.80 -0.30 1.83 1.01 0.14 -0.16 121.20 128.00 2gbs s ILE 60 Ca -0.06 1.18 0.09 0.00 0.00 0.00 0.00 60.65 61.85 2gbs s ILE 60 Cb -0.04 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 2gbs s ILE 60 CO 0.03 -0.24 0.32 1.33 0.00 0.00 0.00 174.94 176.39 2gbs n VAL 61 N 5.52 0.00 -3.81 2.92 0.24 -0.58 -0.63 118.33 121.98 2gbs n VAL 61 Ca 0.03 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.34 62.01 2gbs n VAL 61 Cb 0.48 0.81 -0.00 0.00 -1.47 0.00 0.00 33.84 33.66 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 -2.14 -0.03 -0.15 7.63 0.00 -1.24 -1.01 107.32 110.39 2gbs s GLY 62 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 2gbs s GLY 62 CO 0.36 0.36 -0.01 -0.42 0.00 0.00 0.00 173.10 173.40 2gbs s ILE 63 N -3.06 4.16 0.10 0.90 1.01 -0.04 -0.71 121.20 123.56 2gbs s ILE 63 Ca 0.14 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.60 2gbs s ILE 63 Cb -0.03 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2gbs s ILE 63 CO 0.06 0.51 -0.12 0.00 0.00 0.00 0.00 174.94 175.39 2gbs s ALA 64 N 0.10 2.90 0.02 9.38 0.00 -0.06 -0.87 121.76 133.23 2gbs s ALA 64 Ca 0.01 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.77 2gbs s ALA 64 Cb -0.13 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 2gbs s ALA 64 CO 0.02 0.63 -0.16 -2.00 0.00 0.00 0.00 175.76 174.25 2gbs s GLU 65 N -2.17 1.17 -0.12 0.00 2.12 -0.64 -0.24 118.70 118.82 2gbs s GLU 65 Ca 0.21 -0.74 -0.28 0.00 0.36 0.00 0.00 54.97 54.52 2gbs s GLU 65 Cb -0.11 -1.19 -0.01 0.00 0.26 0.00 0.00 34.13 33.07 2gbs s GLU 65 CO 0.13 0.31 0.93 0.42 -0.54 0.00 0.00 175.26 176.51 2gbs s ILE 66 N -0.67 4.84 -0.19 -3.70 -1.09 0.77 -1.06 121.20 120.09 2gbs s ILE 66 Ca 0.05 1.87 0.02 0.00 -2.23 0.00 0.00 60.65 60.36 2gbs s ILE 66 Cb -0.07 -4.24 0.07 0.00 -1.58 0.00 0.00 42.46 36.63 2gbs s ILE 66 CO 0.01 0.03 1.06 2.30 -1.23 0.00 0.00 174.94 177.11 2gbs n ILE 67 N 4.53 1.02 -3.72 2.92 -5.35 0.95 -0.87 119.36 118.84 2gbs n ILE 67 Ca 0.07 -1.02 -0.13 0.00 -0.27 0.00 0.00 62.75 61.39 2gbs n ILE 67 Cb 0.49 0.49 -0.09 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.03 0.55 0.89 6.28 3.52 -1.24 -4.89 118.95 123.02 2gbs s ARG 68 Ca 0.05 0.55 -0.10 0.00 -0.13 0.00 0.00 55.73 56.10 2gbs s ARG 68 Cb 0.03 0.27 0.13 0.00 -1.56 0.00 0.00 34.95 33.82 2gbs s ARG 68 CO 0.03 -0.08 1.15 -1.21 -0.81 0.00 0.00 175.30 174.38 2gbs s GLU 69 N 0.06 1.22 -0.46 5.12 0.41 -1.26 -3.57 118.70 120.22 2gbs s GLU 69 Ca -0.01 1.53 -0.27 0.00 -0.41 0.00 0.00 54.97 55.80 2gbs s GLU 69 Cb -0.03 -1.75 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 2gbs s GLU 69 CO 0.01 -2.48 1.90 0.00 -0.49 0.00 0.00 175.26 174.20 2gbs s ALA 70 N -2.63 2.44 0.24 5.21 0.00 -1.26 -4.60 121.76 121.17 2gbs s ALA 70 Ca 0.67 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.60 2gbs s ALA 70 Cb -0.23 -4.17 -0.05 0.00 0.00 0.00 0.00 23.12 18.68 2gbs s ALA 70 CO 0.57 -3.35 -0.12 1.52 0.00 0.00 0.00 175.76 174.38 2gbs s TYR 71 N 8.39 2.50 0.08 0.00 1.13 -0.28 -4.80 117.35 124.38 2gbs s TYR 71 Ca 0.77 -0.27 -0.36 0.00 -1.41 0.00 0.00 57.07 55.79 2gbs s TYR 71 Cb -0.18 -1.14 -0.16 0.00 -1.10 0.00 0.00 41.96 39.38 2gbs s TYR 71 CO 0.27 0.62 1.39 -2.30 -2.51 0.00 0.00 175.55 173.02 2gbs n PRO 72 N -0.47 1.28 -1.73 -3.49 -0.02 -1.26 0.22 135.00 129.54 2gbs n PRO 72 Ca -0.08 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2gbs n PRO 72 Cb 0.58 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 2gbs n PRO 72 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2gbs s ASP 73 N 0.65 6.42 0.19 2.55 -1.08 0.72 -4.69 116.67 121.43 2gbs s ASP 73 Ca 0.84 2.78 0.14 0.00 -0.52 0.00 0.00 52.55 55.80 2gbs s ASP 73 Cb -0.92 -2.58 0.74 0.00 -1.46 0.00 0.00 42.92 38.71 2gbs s ASP 73 CO 0.46 -0.99 1.44 -0.81 0.52 0.00 0.00 175.17 175.79 2gbs n PRO 74 N 5.12 0.09 0.20 4.34 -0.04 -1.26 -0.90 135.00 142.56 2gbs n PRO 74 Ca 0.17 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.29 2gbs n PRO 74 Cb 0.37 -1.78 0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2gbs n PRO 74 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2gbs h THR 75 N 0.00 0.11 -3.36 0.52 2.02 -1.97 -3.44 112.91 106.80 2gbs h THR 75 Ca 0.00 -1.16 -0.65 0.00 0.77 0.00 0.00 66.41 65.37 2gbs h THR 75 Cb 0.05 2.01 -0.26 0.00 -1.74 0.00 0.00 68.15 68.21 2gbs h THR 75 CO 0.00 0.06 -0.72 -0.62 0.37 0.00 0.00 175.52 174.62 2gbs s ASP 76 N -6.16 4.38 0.00 4.18 2.15 -0.07 -4.99 116.67 116.16 2gbs s ASP 76 Ca 0.06 -0.30 0.17 0.00 0.43 0.00 0.00 52.55 52.91 2gbs s ASP 76 Cb 0.06 -1.72 0.54 0.00 -0.30 0.00 0.00 42.92 41.50 2gbs s ASP 76 CO 0.69 0.08 1.42 0.00 -0.17 0.00 0.00 175.17 177.19 2gbs n ALA 77 N 4.11 2.47 0.17 3.66 0.00 -1.26 -3.64 120.51 126.01 2gbs n ALA 77 Ca -0.18 -0.68 0.02 0.00 0.00 0.00 0.00 53.44 52.61 2gbs n ALA 77 Cb 0.52 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.97 2gbs n ALA 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gbs n SER 78 N 0.64 1.14 -1.27 0.00 3.41 -1.26 -4.99 113.62 111.31 2gbs n SER 78 Ca 0.16 -1.07 -0.12 0.00 -0.26 0.00 0.00 58.87 57.58 2gbs n SER 78 Cb 0.37 0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gbs n GLY 79 N 0.38 0.10 0.20 5.00 0.00 -1.24 -4.90 105.19 104.73 2gbs n GLY 79 Ca 0.02 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.99 1.61 3.64 -1.93 -3.45 116.57 110.45 2gbs h LYS 80 Ca -0.27 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.56 2gbs h LYS 80 Cb 1.14 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.80 2gbs h LYS 80 CO 0.33 0.09 -0.76 -0.06 -2.27 0.00 0.00 179.45 176.78 2gbs s PHE 81 N -3.17 2.01 0.25 1.91 0.08 -1.26 -5.05 117.98 112.75 2gbs s PHE 81 Ca 0.06 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.70 2gbs s PHE 81 Cb 0.05 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 2gbs s PHE 81 CO 0.68 0.50 0.03 0.14 -0.10 0.00 0.00 175.22 176.48 2gbs s VAL 82 N -2.48 0.92 0.02 -0.44 -7.23 -1.26 -0.20 120.40 109.73 2gbs s VAL 82 Ca 0.24 -2.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.19 2gbs s VAL 82 Cb -0.04 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.45 2gbs s VAL 82 CO 0.10 -0.19 0.46 0.00 -0.31 0.00 0.00 175.10 175.16 2gbs s VAL 84 N -2.09 1.91 -0.21 0.00 -7.23 -1.26 -1.12 120.40 110.39 2gbs s VAL 84 Ca -0.07 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 57.79 2gbs s VAL 84 Cb -0.01 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2gbs s VAL 84 CO 0.01 -0.32 0.18 -1.81 -0.31 0.00 0.00 175.10 172.85 2gbs s ASP 85 N -3.48 6.21 0.10 4.85 1.11 -1.23 -0.18 116.67 124.04 2gbs s ASP 85 Ca 0.30 0.23 0.06 0.00 0.18 0.00 0.00 52.55 53.31 2gbs s ASP 85 Cb 0.02 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.85 2gbs s ASP 85 CO 0.13 0.10 -0.04 0.27 1.18 0.00 0.00 175.17 176.82 2gbs s ILE 86 N 0.74 3.78 0.16 0.77 -4.36 0.38 -0.03 121.20 122.63 2gbs s ILE 86 Ca 0.09 -1.11 0.01 0.00 -0.26 0.00 0.00 60.65 59.39 2gbs s ILE 86 Cb -0.13 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 2gbs s ILE 86 CO 0.02 0.11 0.01 -1.59 0.24 0.00 0.00 174.94 173.72 2gbs s LYS 87 N -2.30 1.04 -0.30 0.37 -2.85 -0.23 -1.50 119.74 113.98 2gbs s LYS 87 Ca 0.24 -1.49 -0.18 0.00 -1.00 0.00 0.00 55.97 53.54 2gbs s LYS 87 Cb -0.11 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.48 2gbs s LYS 87 CO 0.17 -0.15 0.50 0.00 0.10 0.00 0.00 175.35 175.97 2gbs s ALA 88 N -3.73 3.53 0.00 0.59 0.00 -1.26 -1.62 121.76 119.28 2gbs s ALA 88 Ca 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2gbs s ALA 88 Cb 0.06 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2gbs s ALA 88 CO 0.03 -0.95 0.00 -3.47 0.00 0.00 0.00 175.76 171.37 2gbs n ASP 89 N 5.61 0.00 -3.68 0.00 2.03 -0.05 -4.71 116.55 115.75 2gbs n ASP 89 Ca -0.05 0.30 -0.14 0.00 0.52 0.00 0.00 54.79 55.42 2gbs n ASP 89 Cb 0.49 -0.37 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.73 0.83 0.78 -0.67 -2.85 -1.24 -5.02 119.74 110.85 2gbs s LYS 90 Ca 0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 55.97 54.75 2gbs s LYS 90 Cb 0.00 0.38 0.11 0.00 -2.06 0.00 0.00 37.83 36.25 2gbs s LYS 90 CO 0.00 -0.26 1.11 -1.25 0.10 0.00 0.00 175.35 175.05 2gbs s PRO 91 N -1.63 1.71 0.21 1.78 0.04 -1.26 -0.86 135.00 134.99 2gbs s PRO 91 Ca -0.11 -0.37 -0.05 0.00 0.04 0.00 0.00 61.00 60.51 2gbs s PRO 91 Cb -0.03 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2gbs s PRO 91 CO 0.04 -1.60 0.46 -0.51 0.04 0.00 0.00 177.00 175.42 2gbs s LEU 92 N -5.43 4.19 0.15 -3.56 1.43 -0.18 -4.82 118.68 110.46 2gbs s LEU 92 Ca 0.65 0.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 2gbs s LEU 92 Cb -0.08 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 2gbs s LEU 92 CO 0.47 -0.05 1.39 0.50 0.23 0.00 0.00 176.35 178.90 2gbs h LYS 93 N 2.35 0.61 -4.66 1.70 3.64 -1.77 -3.41 116.57 115.03 2gbs h LYS 93 Ca -0.47 -0.47 -0.62 0.00 -1.27 0.00 0.00 60.65 57.82 2gbs h LYS 93 Cb 1.18 0.09 -0.37 0.00 -0.41 0.00 0.00 32.23 32.72 2gbs h LYS 93 CO 0.70 1.09 -0.82 0.99 -2.27 0.00 0.00 179.45 179.14 2gbs s THR 94 N -3.75 1.71 0.18 1.00 2.01 0.64 -4.99 115.64 112.44 2gbs s THR 94 Ca -0.08 -0.98 -0.32 0.00 0.31 0.00 0.00 61.69 60.61 2gbs s THR 94 Cb 0.10 -1.73 -0.12 0.00 0.01 0.00 0.00 72.50 70.76 2gbs s THR 94 CO 0.87 0.24 1.70 -0.81 -0.69 0.00 0.00 174.62 175.93 2gbs n PRO 95 N 4.68 2.61 -2.84 4.92 -0.04 -1.26 -4.40 135.00 138.67 2gbs n PRO 95 Ca -0.16 0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 63.81 2gbs n PRO 95 Cb 0.47 -2.77 -0.03 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 1.28 4.46 0.69 0.52 1.01 0.20 -4.83 120.40 123.73 2gbs s VAL 96 Ca 0.77 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 2gbs s VAL 96 Cb -0.55 -4.80 0.01 0.00 0.00 0.00 0.00 36.38 31.04 2gbs s VAL 96 CO 0.34 -1.58 1.09 0.42 0.00 0.00 0.00 175.10 175.38 2gbs s THR 97 N 3.52 3.45 0.53 3.92 -4.23 -1.26 0.25 115.64 121.81 2gbs s THR 97 Ca 0.32 0.58 0.21 0.00 -1.18 0.00 0.00 61.69 61.62 2gbs s THR 97 Cb -0.07 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.94 2gbs s THR 97 CO -0.04 -0.51 2.16 0.25 -0.54 0.00 0.00 174.62 175.95 2gbs h LEU 98 N -0.38 0.00 -0.80 4.79 5.85 -0.73 -0.17 115.31 123.87 2gbs h LEU 98 Ca -0.45 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.16 2gbs h LEU 98 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2gbs h LEU 98 CO 0.54 0.03 -0.22 0.00 -0.34 0.00 0.00 178.44 178.45 2gbs h ALA 99 N 1.97 0.98 -0.21 1.25 0.00 -1.91 -2.11 119.26 119.21 2gbs h ALA 99 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2gbs h ALA 99 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2gbs h ALA 99 CO 0.00 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.51 2gbs h ALA 100 N 1.18 1.01 -0.25 0.00 0.00 -1.41 -2.39 119.26 117.40 2gbs h ALA 100 Ca 0.08 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2gbs h ALA 100 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2gbs h ALA 100 CO 0.05 0.60 -0.10 0.28 0.00 0.00 0.00 179.25 180.08 2gbs h VAL 101 N 0.38 1.20 0.00 0.00 2.07 -1.02 -2.05 116.25 116.84 2gbs h VAL 101 Ca 0.04 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 2gbs h VAL 101 Cb 0.79 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2gbs h VAL 101 CO 0.06 0.29 -0.17 0.11 0.02 0.00 0.00 177.57 177.88 2gbs h LYS 102 N 0.38 0.00 0.00 1.57 1.57 -0.92 -3.06 116.57 116.11 2gbs h LYS 102 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2gbs h LYS 102 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2gbs h LYS 102 CO 0.02 0.17 -0.16 0.00 -0.57 0.00 0.00 179.45 178.91 2gbs h ALA 103 N 1.83 0.95 -2.77 3.86 0.00 -0.89 -3.40 119.26 118.84 2gbs h ALA 103 Ca -0.00 -0.15 -0.71 0.00 0.00 0.00 0.00 54.91 54.04 2gbs h ALA 103 Cb 0.82 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.32 2gbs h ALA 103 CO 0.02 0.21 -0.48 -2.00 0.00 0.00 0.00 179.25 177.00 2gbs s GLU 104 N -3.42 2.70 0.55 0.00 2.56 -1.15 -4.96 118.70 114.97 2gbs s GLU 104 Ca 0.03 -1.32 0.28 0.00 0.00 0.00 0.00 54.97 53.95 2gbs s GLU 104 Cb 0.08 -3.78 1.46 0.00 2.00 0.00 0.00 34.13 33.89 2gbs s GLU 104 CO 0.64 -0.87 1.96 -1.00 -0.56 0.00 0.00 175.26 175.43 2gbs h PRO 105 N 8.44 0.00 -0.43 4.30 0.13 -1.82 -0.00 132.00 142.61 2gbs h PRO 105 Ca -0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 2gbs h PRO 105 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2gbs h PRO 105 CO 0.73 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.31 2gbs h ARG 106 N 0.00 0.90 0.00 0.86 3.08 -1.93 -2.92 114.38 114.37 2gbs h ARG 106 Ca 0.26 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2gbs h ARG 106 Cb 1.15 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2gbs h ARG 106 CO -0.00 1.04 -0.23 1.28 -1.07 0.00 0.00 179.97 180.99 2gbs n LEU 107 N -4.19 0.40 0.05 3.04 4.77 -0.18 -3.09 117.00 117.79 2gbs n LEU 107 Ca -0.01 0.35 0.09 0.00 -0.03 0.00 0.00 56.01 56.41 2gbs n LEU 107 Cb 0.44 -0.35 0.37 0.00 -2.33 0.00 0.00 43.42 41.55 2gbs n LEU 107 CO 0.45 -0.01 0.77 0.00 -1.33 0.00 0.00 177.39 177.28 2gbs n ALA 108 N -1.61 1.67 -0.28 -1.18 0.00 -0.24 -1.64 120.51 117.23 2gbs n ALA 108 Ca 0.06 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 2gbs n ALA 108 Cb 0.37 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.76 3.29 -4.85 0.00 2.03 -1.18 -4.72 116.55 109.37 2gbs n ASP 109 Ca 0.03 -2.07 -0.32 0.00 0.52 0.00 0.00 54.79 52.96 2gbs n ASP 109 Cb 0.19 -0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.12 3.89 0.54 -0.67 1.75 -0.65 -4.93 119.30 118.11 2gbs s MET 110 Ca 0.31 0.83 0.29 0.00 -1.25 0.00 0.00 55.69 55.87 2gbs s MET 110 Cb 0.17 -2.19 1.45 0.00 2.84 0.00 0.00 34.83 37.10 2gbs s MET 110 CO 0.20 -0.23 1.94 0.00 -0.65 0.00 0.00 175.02 176.27 2gbs h ALA 111 N 0.92 2.61 0.00 4.11 0.00 -1.87 0.87 119.26 125.90 2gbs h ALA 111 Ca -0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 111 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2gbs h ALA 111 CO 0.62 -0.86 -0.10 1.25 0.00 0.00 0.00 179.25 180.16 2gbs h LEU 112 N 0.00 0.00 -0.47 0.00 5.85 -1.89 0.14 115.31 118.94 2gbs h LEU 112 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2gbs h LEU 112 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2gbs h LEU 112 CO -0.00 0.10 -0.64 0.23 -0.34 0.00 0.00 178.44 177.80 2gbs n MET 113 N -4.28 0.60 -0.09 1.25 2.81 0.27 -4.29 117.12 113.38 2gbs n MET 113 Ca -0.03 -0.47 -0.11 0.00 -1.81 0.00 0.00 57.70 55.28 2gbs n MET 113 Cb 0.18 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.16 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 -0.79 0.51 -3.85 0.03 5.02 -0.51 -4.84 118.16 113.71 2gbs n LYS 114 Ca 0.07 0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 56.47 2gbs n LYS 114 Cb 0.39 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2gbs s TYR 115 N -2.50 2.72 0.02 2.13 2.02 0.36 -4.90 117.35 117.21 2gbs s TYR 115 Ca -0.24 -2.89 0.32 0.00 -0.37 0.00 0.00 57.07 53.89 2gbs s TYR 115 Cb 0.05 -2.45 1.47 0.00 -0.40 0.00 0.00 41.96 40.62 2gbs s TYR 115 CO 0.37 -0.75 1.95 0.77 -1.57 0.00 0.00 175.55 176.31 2gbs h SER 116 N 6.55 0.00 0.96 2.29 0.02 -1.78 -1.88 113.55 119.71 2gbs h SER 116 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2gbs h SER 116 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2gbs h SER 116 CO 0.61 0.00 -0.17 0.54 -1.14 0.00 0.00 176.83 176.67 2gbs n ARG 117 N -2.73 0.07 -3.00 3.45 1.74 -1.26 -4.70 116.66 110.22 2gbs n ARG 117 Ca -0.00 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 2gbs n ARG 117 Cb 0.19 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 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 -3.37 4.29 0.02 0.55 2.96 -0.71 -4.97 118.68 117.45 2gbs s LEU 118 Ca 0.12 -0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 2gbs s LEU 118 Cb 0.17 -2.91 -0.09 0.00 0.50 0.00 0.00 46.19 43.87 2gbs s LEU 118 CO 0.60 -0.84 1.17 0.28 -1.32 0.00 0.00 176.35 176.24 2gbs h SER 119 N 8.86 -0.48 -3.70 3.68 0.02 -1.86 -3.42 113.55 116.65 2gbs h SER 119 Ca -0.25 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 60.05 2gbs h SER 119 Cb 1.09 0.12 -0.18 0.00 0.14 0.00 0.00 62.40 63.57 2gbs h SER 119 CO 0.93 -0.33 -0.41 -0.69 -1.14 0.00 0.00 176.83 175.20 2gbs s VAL 120 N -4.12 5.24 0.17 2.27 1.01 -1.26 -3.44 120.40 120.28 2gbs s VAL 120 Ca -0.08 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 61.89 2gbs s VAL 120 Cb 0.01 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2gbs s VAL 120 CO 0.25 -0.03 -0.12 -1.10 0.00 0.00 0.00 175.10 174.10 2gbs s GLN 121 N 1.84 1.97 -0.06 2.72 -0.21 -0.10 -4.71 119.66 121.12 2gbs s GLN 121 Ca 0.08 -1.27 -0.17 0.00 0.02 0.00 0.00 55.36 54.02 2gbs s GLN 121 Cb -0.17 -2.13 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 2gbs s GLN 121 CO 0.11 0.44 0.47 -1.25 -2.12 0.00 0.00 175.29 172.94 2gbs s PRO 122 N -2.70 4.20 -0.06 2.91 0.04 -1.26 -0.70 135.00 137.43 2gbs s PRO 122 Ca 0.23 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.80 2gbs s PRO 122 Cb -0.09 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 2gbs s PRO 122 CO 0.14 0.38 -0.19 0.08 0.04 0.00 0.00 177.00 177.45 2gbs s VAL 123 N -0.12 1.61 0.71 -0.36 1.01 0.53 -4.79 120.40 118.99 2gbs s VAL 123 Ca 0.26 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2gbs s VAL 123 Cb -0.16 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.90 2gbs s VAL 123 CO 0.12 0.46 1.01 0.42 0.00 0.00 0.00 175.10 177.11 2gbs s THR 124 N 0.10 2.28 0.15 3.92 -4.23 -1.26 -3.80 115.64 112.80 2gbs s THR 124 Ca -0.07 -0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 59.97 2gbs s THR 124 Cb -0.13 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2gbs s THR 124 CO 0.03 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.86 2gbs h ALA 125 N -0.59 0.38 -0.46 3.99 0.00 -1.99 0.26 119.26 120.85 2gbs h ALA 125 Ca -0.44 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 125 Cb 1.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2gbs h ALA 125 CO 0.58 -0.30 -0.20 1.49 0.00 0.00 0.00 179.25 180.81 2gbs h GLU 126 N 0.23 0.93 -0.18 0.00 4.57 -1.98 0.13 114.58 118.27 2gbs h GLU 126 Ca 0.16 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2gbs h GLU 126 Cb 0.15 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2gbs h GLU 126 CO -0.18 1.04 0.08 0.93 -1.18 0.00 0.00 179.01 179.69 2gbs h GLU 127 N 0.81 0.26 -0.03 1.92 5.08 -1.87 0.12 114.58 120.87 2gbs h GLU 127 Ca 0.11 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2gbs h GLU 127 Cb 0.76 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 2gbs h GLU 127 CO 0.06 0.31 -0.15 2.35 -1.00 0.00 0.00 179.01 180.59 2gbs h TRP 128 N 0.15 -0.38 -0.58 4.33 2.91 -0.69 -0.71 115.95 120.98 2gbs h TRP 128 Ca 0.06 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.12 2gbs h TRP 128 Cb 0.14 0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 28.93 2gbs h TRP 128 CO -0.02 -0.22 0.36 0.87 -1.03 0.00 0.00 178.44 178.40 2gbs h LYS 129 N -0.23 0.69 -0.19 2.65 1.79 -0.62 -1.69 116.57 118.97 2gbs h LYS 129 Ca 0.06 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2gbs h LYS 129 Cb 0.31 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2gbs h LYS 129 CO -0.17 0.45 0.05 1.25 -1.08 0.00 0.00 179.45 179.96 2gbs h LEU 130 N 0.71 0.28 -0.21 2.94 5.85 -0.42 -0.91 115.31 123.54 2gbs h LEU 130 Ca 0.23 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2gbs h LEU 130 Cb 0.01 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2gbs h LEU 130 CO -0.09 0.41 0.07 0.58 -0.34 0.00 0.00 178.44 179.07 2gbs h VAL 131 N 0.12 1.19 -0.14 1.05 2.07 -0.99 0.28 116.25 119.83 2gbs h VAL 131 Ca 0.06 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2gbs h VAL 131 Cb 0.24 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2gbs h VAL 131 CO -0.00 0.19 0.06 0.00 0.02 0.00 0.00 177.57 177.84 2gbs h LYS 133 N 0.14 0.33 0.00 0.00 3.64 -1.01 -0.77 116.57 118.90 2gbs h LYS 133 Ca 0.06 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2gbs h LYS 133 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2gbs h LYS 133 CO -0.04 0.32 -0.26 1.98 -2.27 0.00 0.00 179.45 179.19 2gbs h MET 134 N 0.33 0.00 -0.91 1.90 4.05 0.37 -2.92 114.93 117.74 2gbs h MET 134 Ca 0.08 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.27 2gbs h MET 134 Cb 0.16 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 30.82 2gbs h MET 134 CO -0.00 0.26 0.30 0.41 0.23 0.00 0.00 176.91 178.10 2gbs n GLY 135 N 0.15 3.28 2.31 1.39 0.00 -0.28 -4.86 105.19 107.18 2gbs n GLY 135 Ca -0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.27 1.11 1.98 -0.02 0.00 -1.10 -0.26 105.19 106.62 2gbs n GLY 136 Ca 0.33 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.27 6.38 -4.33 0.99 7.94 -0.91 -4.57 117.00 121.23 2gbs n LEU 137 Ca -0.11 -3.39 -0.44 0.00 -1.11 0.00 0.00 56.01 50.96 2gbs n LEU 137 Cb 0.38 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2gbs n LEU 137 CO 0.16 1.32 1.55 0.18 -1.11 0.00 0.00 177.39 179.50 2gbs n LEU 138 N 0.57 5.55 -4.62 -1.96 4.77 -1.26 -4.67 117.00 115.38 2gbs n LEU 138 Ca 0.32 -4.49 -0.43 0.00 -0.03 0.00 0.00 56.01 51.39 2gbs n LEU 138 Cb 0.58 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.06 2gbs n LEU 138 CO 0.34 0.86 1.22 -0.70 -1.33 0.00 0.00 177.39 177.79 2gbs s GLU 139 N 1.37 3.74 -0.07 3.23 -6.30 -1.26 -4.86 118.70 114.56 2gbs s GLU 139 Ca 0.42 1.19 0.12 0.00 -2.50 0.00 0.00 54.97 54.21 2gbs s GLU 139 Cb 0.00 -3.97 0.24 0.00 0.00 0.00 0.00 34.13 30.40 2gbs s GLU 139 CO 0.00 -1.34 1.11 -2.39 0.02 0.00 0.00 175.26 172.66 2gbs n HIS 140 N 8.30 0.00 1.60 5.30 1.44 -1.26 -4.73 115.22 125.87 2gbs n HIS 140 Ca 0.16 -0.61 0.09 0.00 -2.01 0.00 0.00 57.72 55.35 2gbs n HIS 140 Cb 0.47 -0.13 0.52 0.00 0.12 0.00 0.00 29.99 30.97 2gbs n HIS 140 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2gbs n HIS 141 N -0.44 0.00 0.25 -1.40 1.44 -1.26 -3.54 115.22 110.27 2gbs n HIS 141 Ca 0.08 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.93 2gbs n HIS 141 Cb 0.78 0.00 0.80 0.00 0.12 0.00 0.00 29.99 31.69 2gbs n HIS 141 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2gbs h HIS 142 N 0.00 0.00 -2.51 -1.40 3.86 -2.01 -3.40 115.15 109.69 2gbs h HIS 142 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 2gbs h HIS 142 Cb 0.00 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.21 2gbs h HIS 142 CO 0.00 0.00 -0.25 -3.38 0.86 0.00 0.00 177.93 175.16 2gbs s HIS 143 N -4.79 -0.72 0.00 2.45 -3.43 -1.23 -4.98 115.29 102.58 2gbs s HIS 143 Ca -0.05 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.70 2gbs s HIS 143 Cb 0.16 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 2gbs s HIS 143 CO 0.60 -0.40 0.92 0.72 -2.00 0.00 0.00 174.74 174.57 2gbs n HIS 144 N 4.45 0.00 -1.50 0.38 8.25 -1.26 -5.06 115.22 120.48 2gbs n HIS 144 Ca -0.21 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 2gbs n HIS 144 Cb 0.55 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56