#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 -0.43 -2.38 1.55 0.00 -1.26 -5.06 120.51 112.92 2gbs n ALA 2 Ca 0.00 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 2gbs n ALA 2 Cb 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 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 -6.91 2.43 0.30 0.00 2.02 -1.21 -2.46 117.35 111.54 2gbs s TYR 3 Ca 0.05 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 2gbs s TYR 3 Cb -0.01 -1.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 2gbs s TYR 3 CO 0.03 0.12 0.17 0.91 -1.57 0.00 0.00 175.55 175.21 2gbs n TRP 4 N 1.96 -0.22 -3.70 2.71 7.02 0.94 -0.09 117.44 126.07 2gbs n TRP 4 Ca -0.16 -2.18 -0.14 0.00 -1.02 0.00 0.00 57.50 53.99 2gbs n TRP 4 Cb 0.52 0.10 -0.14 0.00 -2.42 0.00 0.00 31.31 29.37 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 0.21 0.12 -0.99 0.20 0.44 -0.49 118.68 118.17 2gbs s LEU 5 Ca 0.23 0.42 0.11 0.00 0.69 0.00 0.00 54.13 55.58 2gbs s LEU 5 Cb 0.01 0.49 -0.04 0.00 -0.43 0.00 0.00 46.19 46.22 2gbs s LEU 5 CO 0.17 -0.20 -0.27 0.68 -0.29 0.00 0.00 176.35 176.44 2gbs s VAL 6 N 1.77 2.27 -0.08 1.68 -7.23 -0.13 -1.16 120.40 117.53 2gbs s VAL 6 Ca -0.04 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2gbs s VAL 6 Cb -0.12 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 2gbs s VAL 6 CO -0.07 0.12 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.09 2gbs s LYS 7 N -1.98 2.53 0.00 4.82 1.02 -1.26 -1.25 119.74 123.63 2gbs s LYS 7 Ca 0.14 -0.77 -0.07 0.00 0.02 0.00 0.00 55.97 55.30 2gbs s LYS 7 Cb -0.10 -2.01 -0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2gbs s LYS 7 CO 0.06 0.21 0.12 0.45 -0.92 0.00 0.00 175.35 175.26 2gbs s SER 8 N 0.25 0.05 -0.10 2.83 0.15 -0.30 -4.91 113.70 111.66 2gbs s SER 8 Ca -0.13 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 2gbs s SER 8 Cb -0.16 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.30 2gbs s SER 8 CO 0.06 -0.36 0.35 -1.61 1.20 0.00 0.00 173.24 172.88 2gbs s GLU 9 N -1.38 4.09 0.59 5.44 2.02 -1.26 -0.06 118.70 128.14 2gbs s GLU 9 Ca -0.15 0.24 0.38 0.00 0.02 0.00 0.00 54.97 55.46 2gbs s GLU 9 Cb -0.08 -3.34 1.86 0.00 0.10 0.00 0.00 34.13 32.67 2gbs s GLU 9 CO 0.01 0.42 2.15 -1.35 0.02 0.00 0.00 175.26 176.51 2gbs h PRO 10 N 5.91 0.00 0.00 0.39 0.11 -1.74 0.69 132.00 137.36 2gbs h PRO 10 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2gbs h PRO 10 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2gbs h PRO 10 CO 0.69 0.00 -0.24 1.03 -0.21 0.00 0.00 178.00 179.28 2gbs h SER 11 N 0.00 0.00 0.00 -2.05 0.87 -1.93 -3.36 113.55 107.08 2gbs h SER 11 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2gbs h SER 11 Cb 0.25 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 2gbs h SER 11 CO 0.00 0.24 -2.10 0.52 -0.53 0.00 0.00 176.83 174.96 2gbs n VAL 12 N -3.28 1.24 -3.96 2.23 0.31 -0.59 -4.98 118.33 109.30 2gbs n VAL 12 Ca 0.01 -0.26 -0.21 0.00 -0.01 0.00 0.00 64.34 63.87 2gbs n VAL 12 Cb 0.51 -1.84 -0.17 0.00 -0.91 0.00 0.00 33.84 31.43 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 -2.44 0.68 0.49 3.52 -0.11 0.13 -5.07 118.94 116.15 2gbs s TRP 13 Ca -0.30 -0.18 0.06 0.00 1.22 0.00 0.00 56.10 56.90 2gbs s TRP 13 Cb 0.11 -0.71 0.01 0.00 -1.50 0.00 0.00 33.47 31.38 2gbs s TRP 13 CO 0.39 -0.25 0.35 0.45 -4.62 0.00 0.00 176.95 173.26 2gbs s SER 14 N 1.39 4.67 -0.08 5.86 0.15 -1.26 -3.51 113.70 120.92 2gbs s SER 14 Ca -0.04 -1.11 -0.27 0.00 0.70 0.00 0.00 55.95 55.22 2gbs s SER 14 Cb -0.13 0.03 -0.23 0.00 -1.71 0.00 0.00 66.02 63.98 2gbs s SER 14 CO -0.03 -0.89 1.02 -0.25 1.20 0.00 0.00 173.24 174.29 2gbs h TRP 15 N 0.95 0.01 -0.91 3.44 2.91 -1.97 -2.03 115.95 118.35 2gbs h TRP 15 Ca -0.39 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.68 2gbs h TRP 15 Cb 1.29 -0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.88 2gbs h TRP 15 CO 0.82 0.76 0.60 -0.44 -1.03 0.00 0.00 178.44 179.14 2gbs h ASP 16 N -0.74 0.94 0.04 2.65 5.19 -1.98 0.31 116.42 122.83 2gbs h ASP 16 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2gbs h ASP 16 Cb 0.76 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 2gbs h ASP 16 CO 0.00 0.61 -0.02 -0.61 -3.12 0.00 0.00 179.24 176.10 2gbs h GLN 17 N 1.07 0.00 0.00 3.56 5.75 -1.95 -2.28 115.11 121.27 2gbs h GLN 17 Ca 0.38 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.57 2gbs h GLN 17 Cb 0.14 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.64 2gbs h GLN 17 CO -0.14 0.02 -1.91 0.94 -2.65 0.00 0.00 178.83 175.10 2gbs n GLN 18 N -4.14 0.65 -0.16 1.69 -0.06 0.20 -4.10 117.38 111.46 2gbs n GLN 18 Ca -0.03 0.21 -0.00 0.00 -2.00 0.00 0.00 57.00 55.18 2gbs n GLN 18 Cb 0.11 -1.71 0.24 0.00 -4.06 0.00 0.00 30.24 24.82 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 1.20 0.00 1.69 2.07 0.03 0.23 116.25 121.47 2gbs h VAL 19 Ca -0.36 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2gbs h VAL 19 Cb 2.08 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2gbs h VAL 19 CO 0.06 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.85 2gbs h ALA 20 N 1.48 1.29 -0.62 1.67 0.00 -1.58 -0.80 119.26 120.70 2gbs h ALA 20 Ca 0.22 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.75 2gbs h ALA 20 Cb 0.05 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.62 2gbs h ALA 20 CO -0.03 0.03 0.13 1.63 0.00 0.00 0.00 179.25 181.01 2gbs n LYS 21 N -3.53 2.20 0.25 0.00 5.02 0.04 -4.63 118.16 117.51 2gbs n LYS 21 Ca -0.03 -3.26 0.13 0.00 -2.02 0.00 0.00 58.31 53.13 2gbs n LYS 21 Cb 0.12 -2.00 0.62 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.23 0.00 0.05 0.72 0.00 -0.81 0.12 103.07 104.38 2gbs h GLY 22 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.33 2gbs h GLY 22 CO 0.74 0.00 -2.16 0.00 0.00 0.00 0.00 176.54 175.12 2gbs n ALA 23 N -2.21 1.10 0.07 3.60 0.00 -1.26 -4.46 120.51 117.34 2gbs n ALA 23 Ca -0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 53.44 52.32 2gbs n ALA 23 Cb 0.33 -0.14 -0.11 0.00 0.00 0.00 0.00 19.45 19.53 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs h ALA 24 N -0.65 0.09 -0.05 0.00 0.00 -1.88 -3.50 119.26 113.27 2gbs h ALA 24 Ca -0.58 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.60 2gbs h ALA 24 Cb 1.61 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2gbs h ALA 24 CO -0.29 0.70 -0.01 0.41 0.00 0.00 0.00 179.25 180.06 2gbs n GLY 25 N 1.21 -2.71 3.65 0.00 0.00 0.40 -4.95 105.19 102.78 2gbs n GLY 25 Ca -0.12 -1.37 -0.35 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 -3.50 2.92 -0.49 1.61 0.41 0.50 -4.83 118.70 115.33 2gbs s GLU 26 Ca 0.00 -0.45 -0.27 0.00 -0.41 0.00 0.00 54.97 53.84 2gbs s GLU 26 Cb 0.00 -2.73 0.03 0.00 -1.78 0.00 0.00 34.13 29.65 2gbs s GLU 26 CO 0.00 0.69 1.03 0.00 -0.49 0.00 0.00 175.26 176.48 2gbs s ALA 27 N -0.84 3.18 -1.12 5.21 0.00 -1.26 -0.83 121.76 126.10 2gbs s ALA 27 Ca 0.13 -0.72 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 2gbs s ALA 27 Cb -0.11 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2gbs s ALA 27 CO 0.02 -2.21 1.78 -0.46 0.00 0.00 0.00 175.76 174.89 2gbs s TRP 28 N 4.13 2.26 0.39 0.00 -0.00 0.70 -4.93 118.94 121.51 2gbs s TRP 28 Ca 0.41 -0.33 0.08 0.00 -0.00 0.00 0.00 56.10 56.26 2gbs s TRP 28 Cb -0.09 -4.36 -0.02 0.00 -0.00 0.00 0.00 33.47 29.00 2gbs s TRP 28 CO 0.28 -1.64 0.37 0.95 -0.00 0.00 0.00 176.95 176.90 2gbs s THR 29 N 7.72 2.93 0.00 5.86 -4.23 -1.26 -3.66 115.64 123.00 2gbs s THR 29 Ca 0.60 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2gbs s THR 29 Cb -0.01 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2gbs s THR 29 CO 0.04 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2gbs n GLY 30 N -1.52 1.02 3.58 3.99 0.00 -1.26 -4.98 105.19 106.01 2gbs n GLY 30 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.23 3.64 -0.49 1.61 -7.23 -1.26 -4.77 120.40 108.67 2gbs s VAL 31 Ca 0.00 0.59 0.05 0.00 -1.81 0.00 0.00 61.98 60.81 2gbs s VAL 31 Cb 0.00 -4.05 0.10 0.00 0.56 0.00 0.00 36.38 32.98 2gbs s VAL 31 CO 0.00 -0.80 0.94 -2.11 -0.31 0.00 0.00 175.10 172.82 2gbs n ARG 32 N 8.55 1.69 -2.57 4.82 1.85 -1.26 -4.51 116.66 125.23 2gbs n ARG 32 Ca 0.18 -1.38 -0.43 0.00 -1.00 0.00 0.00 57.85 55.23 2gbs n ARG 32 Cb 0.49 -1.11 -0.02 0.00 -1.05 0.00 0.00 32.46 30.76 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 -0.77 7.13 0.32 2.89 3.84 -1.26 -4.94 114.94 122.14 2gbs s ASN 33 Ca 0.09 1.63 0.08 0.00 0.21 0.00 0.00 52.86 54.87 2gbs s ASN 33 Cb 0.05 -2.55 0.53 0.00 -0.55 0.00 0.00 41.25 38.73 2gbs s ASN 33 CO 0.07 -0.55 1.75 0.45 -2.79 0.00 0.00 177.10 176.02 2gbs h HIS 34 N 7.37 0.24 -0.04 0.43 3.86 -1.98 0.57 115.15 125.62 2gbs h HIS 34 Ca -0.30 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 58.80 2gbs h HIS 34 Cb 1.14 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.55 2gbs h HIS 34 CO 0.73 0.55 -0.17 0.77 0.86 0.00 0.00 177.93 180.68 2gbs h SER 35 N 0.18 0.21 -0.11 2.45 0.02 -1.99 -0.57 113.55 113.74 2gbs h SER 35 Ca 0.02 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2gbs h SER 35 Cb 0.73 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2gbs h SER 35 CO 0.06 0.83 0.06 0.00 -1.14 0.00 0.00 176.83 176.64 2gbs h ALA 36 N 0.38 0.13 -0.84 3.77 0.00 -1.83 -2.50 119.26 118.37 2gbs h ALA 36 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2gbs h ALA 36 Cb 0.83 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2gbs h ALA 36 CO 0.03 -0.39 0.53 -0.22 0.00 0.00 0.00 179.25 179.21 2gbs h LYS 37 N 0.13 1.12 -0.82 0.00 3.64 -0.93 -0.36 116.57 119.34 2gbs h LYS 37 Ca 0.04 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2gbs h LYS 37 Cb -0.00 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 31.50 2gbs h LYS 37 CO -0.02 0.76 0.47 1.25 -2.27 0.00 0.00 179.45 179.64 2gbs h LEU 38 N 1.14 0.67 -0.17 5.20 5.85 -0.68 0.21 115.31 127.53 2gbs h LEU 38 Ca 0.30 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 2gbs h LEU 38 Cb -0.09 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2gbs h LEU 38 CO -0.06 0.38 -0.56 0.45 -0.34 0.00 0.00 178.44 178.31 2gbs h HIS 39 N 0.78 0.00 0.00 1.25 3.86 -0.97 -3.23 115.15 116.84 2gbs h HIS 39 Ca 0.40 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.46 2gbs h HIS 39 Cb 0.37 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 2gbs h HIS 39 CO -0.06 0.56 -0.73 0.52 0.86 0.00 0.00 177.93 179.08 2gbs h MET 40 N 0.00 0.00 0.00 2.45 2.86 0.43 -2.98 114.93 117.69 2gbs h MET 40 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2gbs h MET 40 Cb 1.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 2gbs h MET 40 CO 0.07 0.73 -0.30 0.28 1.06 0.00 0.00 176.91 178.75 2gbs h VAL 41 N 0.00 0.67 0.00 -2.22 2.07 -0.71 -2.58 116.25 113.49 2gbs h VAL 41 Ca -0.01 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2gbs h VAL 41 Cb 1.48 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 2gbs h VAL 41 CO 0.09 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.98 2gbs n ALA 42 N -2.24 2.31 -2.44 1.67 0.00 -1.13 -4.77 120.51 113.91 2gbs n ALA 42 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2gbs n ALA 42 Cb 0.49 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.03 4.39 0.31 0.00 -1.94 -0.97 -4.18 119.30 113.89 2gbs s MET 43 Ca 0.13 1.72 0.09 0.00 -1.71 0.00 0.00 55.69 55.92 2gbs s MET 43 Cb 0.17 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 2gbs s MET 43 CO 0.54 -0.35 0.09 0.50 -0.01 0.00 0.00 175.02 175.79 2gbs s ARG 44 N 1.67 2.37 -0.25 2.03 3.52 -1.26 -3.61 118.95 123.42 2gbs s ARG 44 Ca 0.57 -1.48 -0.28 0.00 -0.13 0.00 0.00 55.73 54.41 2gbs s ARG 44 Cb -0.27 -2.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 2gbs s ARG 44 CO 0.26 0.21 2.11 0.50 -0.81 0.00 0.00 175.30 177.57 2gbs s ARG 45 N -3.79 3.18 0.00 5.12 3.52 -1.26 -0.87 118.95 124.86 2gbs s ARG 45 Ca 0.35 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 2gbs s ARG 45 Cb -0.04 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 2gbs s ARG 45 CO 0.22 -2.05 0.00 0.41 -0.81 0.00 0.00 175.30 173.07 2gbs n GLY 46 N 5.68 1.89 3.76 8.12 0.00 0.11 -4.97 105.19 119.78 2gbs n GLY 46 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.77 5.51 -0.01 1.61 1.11 -0.05 -4.74 116.67 118.33 2gbs s ASP 47 Ca 0.00 2.42 0.05 0.00 0.18 0.00 0.00 52.55 55.20 2gbs s ASP 47 Cb 0.00 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 2gbs s ASP 47 CO 0.00 -1.37 -0.15 -0.13 1.18 0.00 0.00 175.17 174.69 2gbs s ARG 48 N -3.07 1.26 0.18 8.23 0.52 -1.03 -0.30 118.95 124.74 2gbs s ARG 48 Ca 0.72 -0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.44 2gbs s ARG 48 Cb -0.31 -1.21 -0.05 0.00 0.52 0.00 0.00 34.95 33.90 2gbs s ARG 48 CO 0.36 0.31 -0.09 0.00 0.02 0.00 0.00 175.30 175.90 2gbs s ALA 49 N -0.30 1.63 -0.09 2.13 0.00 0.75 -0.04 121.76 125.84 2gbs s ALA 49 Ca 0.05 -1.58 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 2gbs s ALA 49 Cb -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2gbs s ALA 49 CO -0.00 -0.10 0.58 -0.06 0.00 0.00 0.00 175.76 176.18 2gbs s PHE 50 N -3.28 3.54 -0.61 0.00 0.08 0.36 -1.01 117.98 117.06 2gbs s PHE 50 Ca 0.20 1.06 -0.22 0.00 0.12 0.00 0.00 56.93 58.10 2gbs s PHE 50 Cb 0.03 -2.67 0.07 0.00 -0.57 0.00 0.00 43.02 39.88 2gbs s PHE 50 CO 0.03 0.13 0.87 -0.47 -0.10 0.00 0.00 175.22 175.68 2gbs s TYR 51 N 0.69 2.80 -0.20 0.36 5.04 0.37 -0.96 117.35 125.46 2gbs s TYR 51 Ca 0.31 -0.54 -0.08 0.00 -2.44 0.00 0.00 57.07 54.32 2gbs s TYR 51 Cb -0.16 -4.11 -0.04 0.00 0.35 0.00 0.00 41.96 38.00 2gbs s TYR 51 CO 0.14 -1.46 0.08 -0.47 -1.34 0.00 0.00 175.55 172.51 2gbs s TYR 52 N 3.59 3.24 -0.41 4.97 5.04 -0.38 -1.19 117.35 132.22 2gbs s TYR 52 Ca 0.20 0.04 -0.26 0.00 -2.44 0.00 0.00 57.07 54.61 2gbs s TYR 52 Cb -0.18 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.02 2gbs s TYR 52 CO 0.11 0.08 0.95 -1.01 -1.34 0.00 0.00 175.55 174.34 2gbs s HIS 53 N 0.64 3.00 0.51 4.97 3.76 0.94 -1.15 115.29 127.96 2gbs s HIS 53 Ca 0.04 0.65 -0.05 0.00 -0.15 0.00 0.00 55.06 55.55 2gbs s HIS 53 Cb -0.13 -3.84 -0.02 0.00 1.11 0.00 0.00 32.58 29.69 2gbs s HIS 53 CO 0.01 -0.96 0.82 0.45 -0.85 0.00 0.00 174.74 174.21 2gbs s SER 54 N 2.06 6.09 0.00 1.40 0.15 0.92 -1.66 113.70 122.66 2gbs s SER 54 Ca 0.39 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2gbs s SER 54 Cb -0.11 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2gbs s SER 54 CO 0.23 -0.71 0.00 -3.20 1.20 0.00 0.00 173.24 170.76 2gbs n ASN 55 N -2.35 0.00 -4.79 5.45 2.85 -1.26 -4.26 115.26 110.90 2gbs n ASN 55 Ca 0.02 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.13 2gbs n ASN 55 Cb 0.56 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.50 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 3.61 0.00 1.20 2.02 -1.26 -4.59 118.70 119.68 2gbs s GLU 56 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.78 2gbs s GLU 56 Cb 0.00 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2gbs s GLU 56 CO 0.00 0.60 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2gbs n GLY 57 N 2.53 1.87 3.62 -1.39 0.00 -1.26 -4.50 105.19 106.06 2gbs n GLY 57 Ca -0.19 -0.20 -0.22 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 -6.53 -4.12 1.61 5.02 -0.66 -4.59 118.16 108.88 2gbs n LYS 58 Ca 0.00 0.75 -0.15 0.00 -2.02 0.00 0.00 58.31 56.89 2gbs n LYS 58 Cb 0.00 -5.67 -0.12 0.00 -0.02 0.00 0.00 35.03 29.22 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 -6.01 0.57 -0.38 1.97 -1.05 -1.17 0.16 118.70 112.78 2gbs s GLU 59 Ca 0.30 -0.64 -0.24 0.00 -0.15 0.00 0.00 54.97 54.24 2gbs s GLU 59 Cb -0.14 -0.43 0.01 0.00 -0.44 0.00 0.00 34.13 33.13 2gbs s GLU 59 CO 0.76 0.09 0.84 0.42 0.95 0.00 0.00 175.26 178.33 2gbs s ILE 60 N -1.03 4.66 -0.10 1.83 1.01 0.92 -0.04 121.20 128.44 2gbs s ILE 60 Ca -0.05 0.93 0.16 0.00 0.00 0.00 0.00 60.65 61.69 2gbs s ILE 60 Cb -0.08 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 2gbs s ILE 60 CO 0.00 -0.53 0.21 1.33 0.00 0.00 0.00 174.94 175.96 2gbs n VAL 61 N 5.94 0.64 -3.93 2.92 0.24 -0.33 -1.12 118.33 122.68 2gbs n VAL 61 Ca 0.05 -0.58 -0.10 0.00 -2.04 0.00 0.00 64.34 61.66 2gbs n VAL 61 Cb 0.48 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 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 -4.64 0.66 -0.15 7.63 0.00 -1.23 -0.69 107.32 108.91 2gbs s GLY 62 Ca -0.08 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 2gbs s GLY 62 CO 0.72 -0.53 -0.14 -0.42 0.00 0.00 0.00 173.10 172.73 2gbs s ILE 63 N -3.02 2.87 0.01 0.90 1.01 0.89 -0.48 121.20 123.38 2gbs s ILE 63 Ca 0.20 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.17 2gbs s ILE 63 Cb -0.03 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2gbs s ILE 63 CO 0.13 0.51 -0.02 0.00 0.00 0.00 0.00 174.94 175.56 2gbs s ALA 64 N 0.67 3.21 0.01 9.38 0.00 -0.18 -2.22 121.76 132.63 2gbs s ALA 64 Ca -0.07 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 50.98 2gbs s ALA 64 Cb -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 2gbs s ALA 64 CO 0.02 0.64 -0.23 -2.00 0.00 0.00 0.00 175.76 174.19 2gbs s GLU 65 N -1.60 1.75 -0.42 0.00 2.12 -0.94 -0.18 118.70 119.43 2gbs s GLU 65 Ca 0.19 -0.91 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 2gbs s GLU 65 Cb -0.11 -1.78 0.02 0.00 0.26 0.00 0.00 34.13 32.51 2gbs s GLU 65 CO 0.10 0.47 1.31 0.42 -0.54 0.00 0.00 175.26 177.03 2gbs s ILE 66 N -0.66 4.03 -1.19 -3.70 -1.09 0.59 -2.12 121.20 117.06 2gbs s ILE 66 Ca 0.09 1.07 0.19 0.00 -2.23 0.00 0.00 60.65 59.77 2gbs s ILE 66 Cb -0.09 -4.33 0.73 0.00 -1.58 0.00 0.00 42.46 37.20 2gbs s ILE 66 CO 0.00 -0.80 1.64 2.30 -1.23 0.00 0.00 174.94 176.86 2gbs n ILE 67 N 6.88 1.81 -3.44 2.92 -5.35 -0.11 0.06 119.36 122.12 2gbs n ILE 67 Ca 0.15 -1.18 0.01 0.00 -0.27 0.00 0.00 62.75 61.46 2gbs n ILE 67 Cb 0.48 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.48 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 -1.82 0.42 0.80 6.28 3.52 -1.26 -4.92 118.95 121.97 2gbs s ARG 68 Ca 0.52 0.99 -0.14 0.00 -0.13 0.00 0.00 55.73 56.97 2gbs s ARG 68 Cb 0.33 0.59 0.08 0.00 -1.56 0.00 0.00 34.95 34.39 2gbs s ARG 68 CO 0.26 -0.20 1.21 -1.83 -0.81 0.00 0.00 175.30 173.92 2gbs s GLU 69 N 2.70 1.70 -0.36 5.12 1.03 -1.26 -3.65 118.70 123.97 2gbs s GLU 69 Ca -0.01 1.77 -0.38 0.00 0.03 0.00 0.00 54.97 56.38 2gbs s GLU 69 Cb -0.10 -1.78 -0.14 0.00 -0.80 0.00 0.00 34.13 31.32 2gbs s GLU 69 CO -0.18 -2.17 2.08 0.00 -1.33 0.00 0.00 175.26 173.66 2gbs n ALA 70 N -3.22 0.64 -2.44 -0.84 0.00 -1.24 -4.87 120.51 108.54 2gbs n ALA 70 Ca 0.14 0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.38 2gbs n ALA 70 Cb 0.50 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.45 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 6.21 2.40 0.14 0.00 1.13 -0.78 -4.89 117.35 121.57 2gbs s TYR 71 Ca 1.09 -0.33 -0.34 0.00 -1.41 0.00 0.00 57.07 56.08 2gbs s TYR 71 Cb -1.03 -1.25 -0.16 0.00 -1.10 0.00 0.00 41.96 38.42 2gbs s TYR 71 CO 0.56 0.41 1.28 -2.30 -2.51 0.00 0.00 175.55 172.99 2gbs n PRO 72 N 0.63 1.29 -1.88 -3.49 -0.02 -1.26 -0.07 135.00 130.19 2gbs n PRO 72 Ca -0.15 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2gbs n PRO 72 Cb 0.54 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.28 6.56 0.34 2.55 -1.08 0.93 -4.66 116.67 121.58 2gbs s ASP 73 Ca 0.78 2.58 0.23 0.00 -0.52 0.00 0.00 52.55 55.62 2gbs s ASP 73 Cb -0.87 -2.57 1.24 0.00 -1.46 0.00 0.00 42.92 39.26 2gbs s ASP 73 CO 0.49 -0.90 1.72 1.55 0.52 0.00 0.00 175.17 178.55 2gbs h PRO 74 N 8.01 0.00 0.00 4.34 0.13 -1.90 -0.22 132.00 142.36 2gbs h PRO 74 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2gbs h PRO 74 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2gbs h PRO 74 CO 0.93 0.00 -0.53 1.15 -0.23 0.00 0.00 178.00 179.32 2gbs h THR 75 N 0.00 1.09 -3.07 1.56 2.02 -1.97 -3.44 112.91 109.10 2gbs h THR 75 Ca 0.00 -2.06 -0.66 0.00 0.77 0.00 0.00 66.41 64.46 2gbs h THR 75 Cb 0.04 2.21 -0.12 0.00 -1.74 0.00 0.00 68.15 68.54 2gbs h THR 75 CO 0.00 0.52 -0.56 -0.62 0.37 0.00 0.00 175.52 175.23 2gbs s ASP 76 N -6.55 5.73 0.04 4.18 2.15 -0.09 -5.00 116.67 117.12 2gbs s ASP 76 Ca 0.01 0.25 0.18 0.00 0.43 0.00 0.00 52.55 53.42 2gbs s ASP 76 Cb 0.10 -1.78 -0.15 0.00 -0.30 0.00 0.00 42.92 40.79 2gbs s ASP 76 CO 0.73 0.35 0.74 0.00 -0.17 0.00 0.00 175.17 176.82 2gbs n ALA 77 N 2.33 2.00 0.04 3.66 0.00 -1.26 -4.14 120.51 123.13 2gbs n ALA 77 Ca -0.19 -0.60 -0.08 0.00 0.00 0.00 0.00 53.44 52.57 2gbs n ALA 77 Cb 0.54 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 19.18 2gbs n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2gbs h SER 78 N 0.00 0.49 0.00 0.00 0.02 -1.94 -3.47 113.55 108.65 2gbs h SER 78 Ca -0.18 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2gbs h SER 78 Cb 1.57 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2gbs h SER 78 CO 0.04 0.98 0.00 0.61 -1.14 0.00 0.00 176.83 177.32 2gbs n GLY 79 N 0.34 0.78 0.12 -3.77 0.00 -1.26 -4.97 105.19 96.43 2gbs n GLY 79 Ca -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -6.34 1.61 3.64 -1.91 -3.46 116.57 110.12 2gbs h LYS 80 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 2gbs h LYS 80 Cb 0.29 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.00 2gbs h LYS 80 CO 0.00 0.30 -0.66 -0.06 -2.27 0.00 0.00 179.45 176.76 2gbs s PHE 81 N -3.02 2.85 0.25 1.91 0.08 -1.26 -5.04 117.98 113.74 2gbs s PHE 81 Ca 0.00 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 56.95 2gbs s PHE 81 Cb 0.08 -1.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 2gbs s PHE 81 CO 0.78 0.52 0.02 0.14 -0.10 0.00 0.00 175.22 176.58 2gbs s VAL 82 N -1.72 0.96 0.10 -0.44 -7.23 -1.26 -0.05 120.40 110.76 2gbs s VAL 82 Ca 0.27 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.33 2gbs s VAL 82 Cb -0.09 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2gbs s VAL 82 CO 0.19 -0.22 0.22 0.00 -0.31 0.00 0.00 175.10 174.98 2gbs s VAL 84 N -3.87 0.80 -0.27 0.00 -7.23 -1.24 -1.86 120.40 106.73 2gbs s VAL 84 Ca 0.06 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 2gbs s VAL 84 Cb 0.04 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2gbs s VAL 84 CO -0.10 -0.72 0.28 -1.81 -0.31 0.00 0.00 175.10 172.45 2gbs s ASP 85 N -2.75 6.15 -0.11 4.85 1.01 -1.24 -0.21 116.67 124.37 2gbs s ASP 85 Ca 0.08 0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.49 2gbs s ASP 85 Cb 0.01 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 2gbs s ASP 85 CO -0.02 -0.11 -0.07 0.27 0.21 0.00 0.00 175.17 175.44 2gbs s ILE 86 N 1.89 3.64 0.14 0.77 -4.36 -0.01 -0.94 121.20 122.33 2gbs s ILE 86 Ca 0.11 -0.48 0.11 0.00 -0.26 0.00 0.00 60.65 60.13 2gbs s ILE 86 Cb -0.16 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2gbs s ILE 86 CO 0.10 0.55 -0.24 -1.59 0.24 0.00 0.00 174.94 174.00 2gbs s LYS 87 N -0.21 1.51 -0.64 0.37 -2.85 -0.90 -0.37 119.74 116.65 2gbs s LYS 87 Ca 0.03 -1.34 -0.25 0.00 -1.00 0.00 0.00 55.97 53.41 2gbs s LYS 87 Cb -0.13 -1.94 0.05 0.00 -2.06 0.00 0.00 37.83 33.75 2gbs s LYS 87 CO 0.03 0.45 1.06 0.00 0.10 0.00 0.00 175.35 176.98 2gbs s ALA 88 N -1.19 3.02 -0.17 0.59 0.00 -1.26 -2.20 121.76 120.55 2gbs s ALA 88 Ca 0.16 -1.46 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 2gbs s ALA 88 Cb -0.10 -3.94 -0.14 0.00 0.00 0.00 0.00 23.12 18.94 2gbs s ALA 88 CO 0.08 -2.79 0.16 0.22 0.00 0.00 0.00 175.76 173.43 2gbs h ASP 89 N 9.61 0.00 -4.23 0.00 3.58 -1.76 -3.41 116.42 120.22 2gbs h ASP 89 Ca -0.27 -0.39 -0.12 0.00 0.42 0.00 0.00 57.03 56.67 2gbs h ASP 89 Cb 1.06 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.89 2gbs h ASP 89 CO 1.18 1.13 -0.21 -1.59 -2.88 0.00 0.00 179.24 176.86 2gbs s LYS 90 N -2.23 0.57 0.58 0.28 -2.85 -1.22 -5.04 119.74 109.82 2gbs s LYS 90 Ca -0.21 0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 2gbs s LYS 90 Cb 0.03 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2gbs s LYS 90 CO 0.45 -0.11 0.82 -1.25 0.10 0.00 0.00 175.35 175.36 2gbs s PRO 91 N -0.25 2.45 0.26 1.78 0.04 -1.26 -0.08 135.00 137.94 2gbs s PRO 91 Ca -0.04 -0.73 -0.10 0.00 0.04 0.00 0.00 61.00 60.17 2gbs s PRO 91 Cb -0.03 -2.44 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 2gbs s PRO 91 CO 0.02 -0.83 0.59 -0.51 0.04 0.00 0.00 177.00 176.31 2gbs s LEU 92 N -4.85 4.13 0.17 -3.56 1.43 0.14 -4.84 118.68 111.30 2gbs s LEU 92 Ca 0.58 0.97 -0.12 0.00 -1.03 0.00 0.00 54.13 54.53 2gbs s LEU 92 Cb -0.10 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.44 2gbs s LEU 92 CO 0.40 -0.12 1.72 0.50 0.23 0.00 0.00 176.35 179.07 2gbs h LYS 93 N 2.37 0.87 -4.07 1.70 3.64 -1.84 -3.39 116.57 115.84 2gbs h LYS 93 Ca -0.47 -0.16 -0.52 0.00 -1.27 0.00 0.00 60.65 58.22 2gbs h LYS 93 Cb 1.17 -0.14 -0.38 0.00 -0.41 0.00 0.00 32.23 32.48 2gbs h LYS 93 CO 0.68 0.76 -0.79 0.99 -2.27 0.00 0.00 179.45 178.82 2gbs s THR 94 N -5.52 0.93 0.15 1.00 2.01 0.85 -5.01 115.64 110.06 2gbs s THR 94 Ca -0.13 -0.39 -0.33 0.00 0.31 0.00 0.00 61.69 61.14 2gbs s THR 94 Cb 0.13 -1.07 -0.13 0.00 0.01 0.00 0.00 72.50 71.43 2gbs s THR 94 CO 0.79 0.21 1.63 -2.65 -0.69 0.00 0.00 174.62 173.91 2gbs n PRO 95 N 4.95 2.29 -2.97 4.92 -0.02 -1.26 -4.51 135.00 138.41 2gbs n PRO 95 Ca -0.11 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 2gbs n PRO 95 Cb 0.49 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.20 4.59 0.74 -1.45 1.01 -0.27 -4.81 120.40 121.41 2gbs s VAL 96 Ca 0.79 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 2gbs s VAL 96 Cb -0.64 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.33 2gbs s VAL 96 CO 0.38 -1.00 1.08 0.42 0.00 0.00 0.00 175.10 175.98 2gbs s THR 97 N 3.41 3.58 0.42 3.92 -4.23 -1.26 -0.05 115.64 121.42 2gbs s THR 97 Ca 0.24 0.51 0.10 0.00 -1.18 0.00 0.00 61.69 61.36 2gbs s THR 97 Cb -0.15 -3.30 0.29 0.00 1.34 0.00 0.00 72.50 70.68 2gbs s THR 97 CO 0.16 -0.67 2.02 0.25 -0.54 0.00 0.00 174.62 175.84 2gbs h LEU 98 N -0.85 0.44 -1.56 4.79 5.85 -0.54 0.38 115.31 123.81 2gbs h LEU 98 Ca -0.45 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 2gbs h LEU 98 Cb 1.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2gbs h LEU 98 CO 0.59 0.29 -0.21 0.00 -0.34 0.00 0.00 178.44 178.78 2gbs h ALA 99 N 1.72 1.64 0.19 1.25 0.00 -1.92 0.85 119.26 122.98 2gbs h ALA 99 Ca 0.21 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2gbs h ALA 99 Cb 0.21 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2gbs h ALA 99 CO -0.06 0.27 -1.41 0.00 0.00 0.00 0.00 179.25 178.05 2gbs h ALA 100 N 1.78 -0.01 -0.41 0.00 0.00 -1.36 -3.03 119.26 116.24 2gbs h ALA 100 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 2gbs h ALA 100 Cb 0.38 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2gbs h ALA 100 CO 0.03 0.86 0.18 0.28 0.00 0.00 0.00 179.25 180.60 2gbs h VAL 101 N 0.11 1.19 0.00 0.00 2.07 -0.68 -2.25 116.25 116.69 2gbs h VAL 101 Ca -0.21 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2gbs h VAL 101 Cb 2.08 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2gbs h VAL 101 CO 0.23 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.32 2gbs n LYS 102 N -4.65 0.65 0.06 1.57 5.02 0.26 -2.40 118.16 118.66 2gbs n LYS 102 Ca 0.00 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 2gbs n LYS 102 Cb 0.13 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.80 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs n ALA 103 N -1.05 2.98 -3.84 7.82 0.00 -0.85 -4.71 120.51 120.86 2gbs n ALA 103 Ca 0.16 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 2gbs n ALA 103 Cb 0.10 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 2gbs n ALA 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gbs s GLU 104 N -3.17 2.22 0.24 0.00 2.56 -1.01 -4.97 118.70 114.57 2gbs s GLU 104 Ca 0.06 -1.41 0.17 0.00 0.00 0.00 0.00 54.97 53.79 2gbs s GLU 104 Cb 0.13 -3.12 0.89 0.00 2.00 0.00 0.00 34.13 34.04 2gbs s GLU 104 CO 0.73 -0.68 1.52 -0.35 -0.56 0.00 0.00 175.26 175.92 2gbs n PRO 105 N 4.51 0.11 0.19 4.30 -0.04 -1.26 -0.77 135.00 142.04 2gbs n PRO 105 Ca -0.11 0.58 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 2gbs n PRO 105 Cb 0.43 -1.84 0.39 0.00 -0.04 0.00 0.00 33.50 32.43 2gbs n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gbs h ARG 106 N 0.00 0.00 -0.12 0.54 3.08 -1.93 -2.72 114.38 113.23 2gbs h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gbs h ARG 106 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2gbs h ARG 106 CO 0.00 0.36 0.00 1.28 -1.07 0.00 0.00 179.97 180.54 2gbs n LEU 107 N -3.74 2.12 0.06 3.04 4.77 0.05 -4.01 117.00 119.29 2gbs n LEU 107 Ca -0.01 -0.80 0.10 0.00 -0.03 0.00 0.00 56.01 55.27 2gbs n LEU 107 Cb 0.45 -0.07 0.42 0.00 -2.33 0.00 0.00 43.42 41.89 2gbs n LEU 107 CO 0.37 0.40 0.81 0.00 -1.33 0.00 0.00 177.39 177.64 2gbs n ALA 108 N 0.64 1.77 -0.62 -1.18 0.00 -1.03 -1.92 120.51 118.18 2gbs n ALA 108 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 2gbs n ALA 108 Cb 0.43 -1.34 0.29 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.86 4.15 -4.86 0.00 2.03 -1.26 -4.75 116.55 110.00 2gbs n ASP 109 Ca 0.03 -2.50 -0.31 0.00 0.52 0.00 0.00 54.79 52.53 2gbs n ASP 109 Cb 0.23 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.09 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 -1.92 3.88 0.54 -0.67 1.75 -0.81 -4.96 119.30 117.11 2gbs s MET 110 Ca 0.42 0.51 0.27 0.00 -1.25 0.00 0.00 55.69 55.65 2gbs s MET 110 Cb 0.29 -2.45 1.44 0.00 2.84 0.00 0.00 34.83 36.94 2gbs s MET 110 CO 0.18 0.11 1.96 0.00 -0.65 0.00 0.00 175.02 176.62 2gbs h ALA 111 N 1.90 2.53 -0.22 4.11 0.00 -1.89 0.85 119.26 126.54 2gbs h ALA 111 Ca -0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 111 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2gbs h ALA 111 CO 0.65 -0.76 0.10 1.25 0.00 0.00 0.00 179.25 180.49 2gbs h LEU 112 N 0.00 0.26 -0.82 0.00 5.85 -1.91 0.23 115.31 118.92 2gbs h LEU 112 Ca 0.29 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2gbs h LEU 112 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2gbs h LEU 112 CO -0.00 0.23 -0.22 0.23 -0.34 0.00 0.00 178.44 178.33 2gbs n MET 113 N -4.46 1.23 -0.07 1.25 2.81 0.27 -4.23 117.12 113.93 2gbs n MET 113 Ca 0.00 -0.82 -0.07 0.00 -1.81 0.00 0.00 57.70 54.99 2gbs n MET 113 Cb 0.11 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.17 0.43 -3.84 0.03 5.02 -0.39 -4.89 118.16 114.36 2gbs n LYS 114 Ca 0.13 0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 56.25 2gbs n LYS 114 Cb 0.40 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.70 3.50 -0.71 2.13 2.02 0.69 -4.92 117.35 117.35 2gbs s TYR 115 Ca -0.24 -2.75 0.24 0.00 -0.37 0.00 0.00 57.07 53.95 2gbs s TYR 115 Cb 0.03 -3.09 0.91 0.00 -0.40 0.00 0.00 41.96 39.41 2gbs s TYR 115 CO 0.35 -0.89 1.72 0.43 -1.57 0.00 0.00 175.55 175.59 2gbs n SER 116 N 3.95 0.53 0.01 2.29 7.64 -1.26 -2.77 113.62 124.02 2gbs n SER 116 Ca 0.03 0.59 -0.11 0.00 1.01 0.00 0.00 58.87 60.39 2gbs n SER 116 Cb 0.39 -0.72 -0.14 0.00 -1.01 0.00 0.00 64.21 62.73 2gbs n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2gbs h ARG 117 N 0.00 0.08 -6.12 1.43 3.08 -1.93 -3.45 114.38 107.47 2gbs h ARG 117 Ca 0.00 -0.14 -0.58 0.00 0.07 0.00 0.00 59.98 59.34 2gbs h ARG 117 Cb 0.49 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2gbs h ARG 117 CO 0.00 0.79 1.38 -1.17 -1.07 0.00 0.00 179.97 179.90 2gbs s LEU 118 N -6.49 3.60 -0.05 3.04 2.96 -1.11 -4.89 118.68 115.74 2gbs s LEU 118 Ca -0.06 1.81 -0.14 0.00 -0.22 0.00 0.00 54.13 55.52 2gbs s LEU 118 Cb 0.08 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 43.17 2gbs s LEU 118 CO 0.82 -1.74 0.57 -1.28 -1.32 0.00 0.00 176.35 173.40 2gbs h SER 119 N 13.67 -0.33 -3.44 3.68 0.87 -1.87 -3.42 113.55 122.72 2gbs h SER 119 Ca -0.39 -0.07 -0.61 0.00 -1.23 0.00 0.00 61.79 59.49 2gbs h SER 119 Cb 1.21 0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 63.14 2gbs h SER 119 CO 0.98 0.15 0.57 -0.69 -0.53 0.00 0.00 176.83 177.31 2gbs s VAL 120 N -3.03 4.43 0.18 2.23 1.01 -1.25 -4.08 120.40 119.89 2gbs s VAL 120 Ca -0.08 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.52 2gbs s VAL 120 Cb 0.01 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2gbs s VAL 120 CO 0.25 -0.97 -0.20 -1.10 0.00 0.00 0.00 175.10 173.08 2gbs s GLN 121 N 3.85 1.67 -0.03 2.72 -0.21 -0.30 -4.76 119.66 122.59 2gbs s GLN 121 Ca 0.34 -1.42 -0.18 0.00 0.02 0.00 0.00 55.36 54.12 2gbs s GLN 121 Cb -0.11 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.89 2gbs s GLN 121 CO 0.23 0.42 0.51 -1.25 -2.12 0.00 0.00 175.29 173.07 2gbs s PRO 122 N -2.61 4.21 -0.03 2.91 0.05 -1.26 -0.42 135.00 137.85 2gbs s PRO 122 Ca 0.21 0.56 0.05 0.00 0.05 0.00 0.00 61.00 61.87 2gbs s PRO 122 Cb -0.09 -3.33 -0.01 0.00 0.05 0.00 0.00 34.50 31.13 2gbs s PRO 122 CO 0.11 0.41 -0.19 0.08 0.05 0.00 0.00 177.00 177.46 2gbs s VAL 123 N -0.25 1.51 0.53 -0.36 1.01 0.87 -4.58 120.40 119.14 2gbs s VAL 123 Ca 0.27 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2gbs s VAL 123 Cb -0.17 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2gbs s VAL 123 CO 0.14 0.43 0.78 0.42 0.00 0.00 0.00 175.10 176.87 2gbs s THR 124 N -0.18 3.43 0.33 3.92 -4.23 -1.26 -3.28 115.64 114.38 2gbs s THR 124 Ca 0.01 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2gbs s THR 124 Cb -0.10 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.71 2gbs s THR 124 CO 0.01 -0.25 1.96 0.00 -0.54 0.00 0.00 174.62 175.81 2gbs h ALA 125 N 0.10 1.56 0.47 3.99 0.00 -1.98 0.10 119.26 123.51 2gbs h ALA 125 Ca -0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 125 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2gbs h ALA 125 CO 0.57 0.35 -0.32 1.49 0.00 0.00 0.00 179.25 181.34 2gbs h GLU 126 N 0.92 -0.74 -0.15 0.00 4.57 -1.99 -1.09 114.58 116.09 2gbs h GLU 126 Ca 0.31 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 2gbs h GLU 126 Cb 0.08 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2gbs h GLU 126 CO -0.09 -0.49 0.07 0.93 -1.18 0.00 0.00 179.01 178.24 2gbs h GLU 127 N -0.77 0.21 0.16 1.92 5.08 -1.87 -2.30 114.58 117.02 2gbs h GLU 127 Ca -0.05 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2gbs h GLU 127 Cb 0.65 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2gbs h GLU 127 CO 0.03 0.26 -0.48 2.35 -1.00 0.00 0.00 179.01 180.17 2gbs h TRP 128 N 0.11 -1.38 0.00 4.33 2.91 -0.71 -1.37 115.95 119.84 2gbs h TRP 128 Ca 0.05 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 2gbs h TRP 128 Cb 0.12 0.58 -0.01 0.00 -0.51 0.00 0.00 29.16 29.34 2gbs h TRP 128 CO -0.03 -0.55 -0.22 0.87 -1.03 0.00 0.00 178.44 177.48 2gbs h LYS 129 N -0.72 0.00 -0.03 2.65 1.57 -1.23 -1.79 116.57 117.01 2gbs h LYS 129 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2gbs h LYS 129 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2gbs h LYS 129 CO -0.23 0.22 -0.02 1.25 -0.57 0.00 0.00 179.45 180.11 2gbs h LEU 130 N 0.00 0.07 -0.88 2.94 5.85 -1.07 -1.55 115.31 120.67 2gbs h LEU 130 Ca -0.00 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 2gbs h LEU 130 Cb 0.69 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2gbs h LEU 130 CO 0.03 0.48 0.34 0.58 -0.34 0.00 0.00 178.44 179.52 2gbs h VAL 131 N -0.34 1.25 0.38 1.05 2.07 -0.99 0.15 116.25 119.83 2gbs h VAL 131 Ca 0.01 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2gbs h VAL 131 Cb 0.45 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2gbs h VAL 131 CO 0.00 0.32 -0.22 0.00 0.02 0.00 0.00 177.57 177.69 2gbs h LYS 133 N -0.57 0.89 0.00 0.00 3.64 -1.08 -0.58 116.57 118.88 2gbs h LYS 133 Ca -0.04 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2gbs h LYS 133 Cb 0.47 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2gbs h LYS 133 CO 0.05 0.71 -0.18 1.98 -2.27 0.00 0.00 179.45 179.74 2gbs h MET 134 N 0.89 0.00 -0.51 1.90 4.05 -0.38 -1.07 114.93 119.81 2gbs h MET 134 Ca 0.22 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 2gbs h MET 134 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2gbs h MET 134 CO -0.03 0.18 0.00 0.41 0.23 0.00 0.00 176.91 177.70 2gbs n GLY 135 N -0.85 1.16 1.79 1.39 0.00 0.11 -4.87 105.19 103.93 2gbs n GLY 135 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.77 0.68 3.57 -0.02 0.00 -0.41 -0.10 105.19 109.68 2gbs n GLY 136 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 3.63 -0.28 0.99 2.96 -0.36 -4.75 118.68 120.88 2gbs s LEU 137 Ca 0.00 -1.96 0.01 0.00 -0.22 0.00 0.00 54.13 51.96 2gbs s LEU 137 Cb 0.00 -2.58 0.08 0.00 0.50 0.00 0.00 46.19 44.19 2gbs s LEU 137 CO 0.00 -1.49 0.02 -0.76 -1.32 0.00 0.00 176.35 172.80 2gbs s LEU 138 N 5.21 2.85 -0.18 -0.68 1.43 -1.26 -4.01 118.68 122.03 2gbs s LEU 138 Ca 0.53 -1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 51.85 2gbs s LEU 138 Cb 0.02 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 2gbs s LEU 138 CO 0.01 -0.32 1.37 -0.70 0.23 0.00 0.00 176.35 176.94 2gbs s GLU 139 N 1.38 4.12 -0.40 1.70 -6.30 -1.26 -4.94 118.70 113.00 2gbs s GLU 139 Ca 0.02 1.67 0.09 0.00 -2.50 0.00 0.00 54.97 54.25 2gbs s GLU 139 Cb -0.18 -3.85 0.27 0.00 0.00 0.00 0.00 34.13 30.37 2gbs s GLU 139 CO -0.12 -0.87 0.59 -2.39 0.02 0.00 0.00 175.26 172.49 2gbs n HIS 140 N 7.07 0.08 -0.38 5.30 1.44 -1.26 -4.76 115.22 122.72 2gbs n HIS 140 Ca 0.15 -3.66 0.05 0.00 -2.01 0.00 0.00 57.72 52.25 2gbs n HIS 140 Cb 0.45 -0.38 0.14 0.00 0.12 0.00 0.00 29.99 30.32 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 1.09 0.43 0.02 -1.40 1.44 -1.26 -4.74 115.22 110.81 2gbs n HIS 141 Ca 0.23 -0.62 -0.12 0.00 -2.01 0.00 0.00 57.72 55.19 2gbs n HIS 141 Cb 0.55 -0.10 -0.08 0.00 0.12 0.00 0.00 29.99 30.48 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 1.40 -0.01 -3.32 -1.40 3.86 -2.02 -3.42 115.15 110.23 2gbs h HIS 142 Ca 0.00 -0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 2gbs h HIS 142 Cb 0.85 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.97 2gbs h HIS 142 CO 0.22 0.19 -0.77 -3.38 0.86 0.00 0.00 177.93 175.05 2gbs s HIS 143 N -5.37 0.79 -1.45 2.45 -3.43 -1.26 -4.93 115.29 102.08 2gbs s HIS 143 Ca -0.14 -0.25 0.23 0.00 -0.80 0.00 0.00 55.06 54.10 2gbs s HIS 143 Cb 0.04 -0.80 0.09 0.00 -1.43 0.00 0.00 32.58 30.48 2gbs s HIS 143 CO 0.66 -0.30 1.13 0.72 -2.00 0.00 0.00 174.74 174.96 2gbs n HIS 144 N 4.71 0.00 -0.95 0.38 8.25 -1.26 -5.10 115.22 121.24 2gbs n HIS 144 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2gbs n HIS 144 Cb 0.50 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56