#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 1.10 -0.07 3.52 0.00 -1.26 -4.90 121.76 120.14 2gbs s ALA 2 Ca 0.00 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.47 2gbs s ALA 2 Cb 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2gbs s ALA 2 CO 0.00 -0.39 -0.16 0.71 0.00 0.00 0.00 175.76 175.92 2gbs s TYR 3 N -3.84 2.69 0.26 0.00 2.02 -1.24 -0.66 117.35 116.58 2gbs s TYR 3 Ca 0.23 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2gbs s TYR 3 Cb 0.07 -1.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 2gbs s TYR 3 CO 0.02 0.02 0.14 0.91 -1.57 0.00 0.00 175.55 175.07 2gbs n TRP 4 N 2.72 -0.15 -3.71 2.71 7.02 0.66 0.08 117.44 126.77 2gbs n TRP 4 Ca -0.17 -1.85 -0.13 0.00 -1.02 0.00 0.00 57.50 54.32 2gbs n TRP 4 Cb 0.52 0.07 -0.13 0.00 -2.42 0.00 0.00 31.31 29.35 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 0.23 0.04 -0.99 0.20 0.38 -0.74 118.68 117.80 2gbs s LEU 5 Ca 0.19 0.50 0.05 0.00 0.69 0.00 0.00 54.13 55.57 2gbs s LEU 5 Cb 0.01 0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 46.38 2gbs s LEU 5 CO 0.14 -0.19 -0.12 0.68 -0.29 0.00 0.00 176.35 176.57 2gbs s VAL 6 N 1.62 3.27 -0.19 1.68 -7.23 -0.04 -0.99 120.40 118.53 2gbs s VAL 6 Ca -0.06 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 2gbs s VAL 6 Cb -0.11 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2gbs s VAL 6 CO -0.08 0.32 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.42 2gbs s LYS 7 N -1.58 3.39 0.03 4.82 1.02 -1.20 -1.11 119.74 125.12 2gbs s LYS 7 Ca 0.17 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2gbs s LYS 7 Cb -0.11 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 2gbs s LYS 7 CO 0.08 -0.06 -0.04 0.45 -0.92 0.00 0.00 175.35 174.86 2gbs s SER 8 N 1.09 0.48 -0.00 2.83 0.15 -0.10 -4.91 113.70 113.23 2gbs s SER 8 Ca 0.01 -0.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.94 2gbs s SER 8 Cb -0.15 0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 2gbs s SER 8 CO -0.01 -0.33 0.32 -1.61 1.20 0.00 0.00 173.24 172.80 2gbs s GLU 9 N -2.00 3.70 0.06 5.44 2.02 -1.26 -0.08 118.70 126.58 2gbs s GLU 9 Ca -0.09 0.12 0.16 0.00 0.02 0.00 0.00 54.97 55.18 2gbs s GLU 9 Cb -0.06 -3.13 0.67 0.00 0.10 0.00 0.00 34.13 31.71 2gbs s GLU 9 CO -0.02 0.67 1.49 -2.30 0.02 0.00 0.00 175.26 175.12 2gbs n PRO 10 N 1.46 0.04 -0.17 0.39 -0.02 -1.25 -1.47 135.00 133.97 2gbs n PRO 10 Ca -0.13 0.31 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 2gbs n PRO 10 Cb 0.53 -1.59 0.06 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.97 0.00 2.55 0.02 -1.93 -3.39 113.55 111.77 2gbs h SER 11 Ca 0.00 -0.28 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 2gbs h SER 11 Cb 0.26 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2gbs h SER 11 CO 0.00 1.04 -1.50 0.52 -1.14 0.00 0.00 176.83 175.75 2gbs n VAL 12 N -4.17 1.51 -3.93 2.27 0.31 -0.92 -4.99 118.33 108.41 2gbs n VAL 12 Ca 0.02 -0.03 -0.21 0.00 -0.01 0.00 0.00 64.34 64.11 2gbs n VAL 12 Cb 0.36 -2.19 -0.17 0.00 -0.91 0.00 0.00 33.84 30.93 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 -2.76 0.68 0.51 3.52 -0.11 -0.54 -5.08 118.94 115.16 2gbs s TRP 13 Ca -0.32 -0.18 0.06 0.00 1.22 0.00 0.00 56.10 56.88 2gbs s TRP 13 Cb 0.08 -0.72 0.04 0.00 -1.50 0.00 0.00 33.47 31.36 2gbs s TRP 13 CO 0.45 -0.26 0.71 -1.54 -4.62 0.00 0.00 176.95 171.68 2gbs s SER 14 N 1.48 5.32 0.21 5.86 1.04 -1.26 -3.90 113.70 122.46 2gbs s SER 14 Ca -0.02 -0.40 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 2gbs s SER 14 Cb -0.13 -0.46 0.18 0.00 0.10 0.00 0.00 66.02 65.71 2gbs s SER 14 CO -0.03 -1.08 1.54 -0.25 0.98 0.00 0.00 173.24 174.40 2gbs h TRP 15 N 0.29 0.57 -0.80 5.02 2.91 -1.96 -2.98 115.95 119.00 2gbs h TRP 15 Ca -0.38 -0.20 0.07 0.00 1.13 0.00 0.00 58.89 59.51 2gbs h TRP 15 Cb 1.28 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.76 2gbs h TRP 15 CO 0.34 0.90 0.48 -0.44 -1.03 0.00 0.00 178.44 178.69 2gbs h ASP 16 N 0.36 0.74 -0.47 2.65 5.19 -1.99 0.88 116.42 123.77 2gbs h ASP 16 Ca 0.01 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2gbs h ASP 16 Cb 1.06 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 2gbs h ASP 16 CO 0.10 0.46 0.26 1.56 -3.12 0.00 0.00 179.24 178.50 2gbs h GLN 17 N 0.87 0.69 0.00 3.56 1.08 -1.92 -0.91 115.11 118.48 2gbs h GLN 17 Ca 0.36 -0.07 -0.22 0.00 -1.45 0.00 0.00 58.65 57.27 2gbs h GLN 17 Cb 0.21 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2gbs h GLN 17 CO -0.19 0.52 -1.07 1.96 -0.95 0.00 0.00 178.83 179.11 2gbs h GLN 18 N 0.70 0.00 -0.49 1.46 1.08 -1.12 -2.68 115.11 114.06 2gbs h GLN 18 Ca 0.18 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2gbs h GLN 18 Cb 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2gbs h GLN 18 CO -0.03 0.93 0.05 0.28 -0.95 0.00 0.00 178.83 179.12 2gbs h VAL 19 N 0.00 1.25 0.00 -0.54 2.07 -0.41 0.66 116.25 119.28 2gbs h VAL 19 Ca -0.04 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2gbs h VAL 19 Cb 1.79 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2gbs h VAL 19 CO 0.12 0.35 -0.14 0.00 0.02 0.00 0.00 177.57 177.92 2gbs h ALA 20 N 0.95 1.61 -0.58 1.67 0.00 -1.19 -1.73 119.26 120.00 2gbs h ALA 20 Ca 0.15 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 2gbs h ALA 20 Cb 0.44 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 2gbs h ALA 20 CO 0.01 0.18 0.18 1.63 0.00 0.00 0.00 179.25 181.26 2gbs n LYS 21 N -4.14 2.72 0.23 0.00 5.02 -0.89 -4.61 118.16 116.48 2gbs n LYS 21 Ca -0.02 -3.06 0.10 0.00 -2.02 0.00 0.00 58.31 53.30 2gbs n LYS 21 Cb 0.22 -2.02 0.51 0.00 -0.02 0.00 0.00 35.03 33.72 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 1.68 0.00 0.37 0.72 0.00 0.08 0.31 103.07 106.22 2gbs h GLY 22 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2gbs h GLY 22 CO 0.60 0.00 -1.62 0.00 0.00 0.00 0.00 176.54 175.52 2gbs n ALA 23 N -2.26 2.74 -0.10 3.60 0.00 -1.26 -4.42 120.51 118.81 2gbs n ALA 23 Ca -0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.85 2gbs n ALA 23 Cb 0.39 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.22 0.79 0.00 0.00 0.00 -1.05 -5.12 120.51 112.91 2gbs n ALA 24 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2gbs n ALA 24 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 1.45 2.67 2.97 0.00 0.00 0.10 -5.02 105.19 107.37 2gbs n GLY 25 Ca -0.27 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.96 1.06 -0.37 1.61 0.41 0.11 -4.93 118.70 113.63 2gbs s GLU 26 Ca 0.00 -0.27 -0.27 0.00 -0.41 0.00 0.00 54.97 54.03 2gbs s GLU 26 Cb 0.00 -0.97 0.02 0.00 -1.78 0.00 0.00 34.13 31.39 2gbs s GLU 26 CO 0.00 0.04 0.97 0.00 -0.49 0.00 0.00 175.26 175.78 2gbs s ALA 27 N 0.49 3.40 -1.33 5.21 0.00 -1.26 -0.32 121.76 127.94 2gbs s ALA 27 Ca -0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 2gbs s ALA 27 Cb -0.12 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.50 2gbs s ALA 27 CO 0.01 -1.64 1.84 1.87 0.00 0.00 0.00 175.76 177.84 2gbs n TRP 28 N 6.88 4.21 -4.23 0.00 -0.00 0.72 -4.94 117.44 120.09 2gbs n TRP 28 Ca 0.08 -2.96 -0.23 0.00 -0.00 0.00 0.00 57.50 54.39 2gbs n TRP 28 Cb 0.48 -2.46 -0.07 0.00 -0.00 0.00 0.00 31.31 29.26 2gbs n TRP 28 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2gbs s THR 29 N 3.04 3.42 0.00 5.87 -1.32 -1.26 -3.81 115.64 121.58 2gbs s THR 29 Ca 0.48 -1.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 2gbs s THR 29 Cb 0.06 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 2gbs s THR 29 CO 0.01 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 2gbs n GLY 30 N -0.99 0.91 3.53 6.08 0.00 -1.26 -5.02 105.19 108.44 2gbs n GLY 30 Ca -0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 4.14 -1.28 1.61 -7.23 -1.26 -4.74 120.40 109.64 2gbs s VAL 31 Ca 0.00 -0.91 0.26 0.00 -1.81 0.00 0.00 61.98 59.52 2gbs s VAL 31 Cb 0.00 -4.97 0.17 0.00 0.56 0.00 0.00 36.38 32.14 2gbs s VAL 31 CO 0.00 -1.81 1.59 0.54 -0.31 0.00 0.00 175.10 175.11 2gbs n ARG 32 N 8.26 0.30 -2.25 4.82 1.74 -1.26 -4.69 116.66 123.58 2gbs n ARG 32 Ca 0.28 -0.15 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 2gbs n ARG 32 Cb 0.50 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2gbs n ARG 32 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2gbs s ASN 33 N -2.80 6.68 0.34 0.55 3.84 -1.26 -4.91 114.94 117.39 2gbs s ASN 33 Ca 0.17 1.70 0.08 0.00 0.21 0.00 0.00 52.86 55.02 2gbs s ASN 33 Cb 0.18 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.98 2gbs s ASN 33 CO 0.60 -0.99 1.82 0.45 -2.79 0.00 0.00 177.10 176.20 2gbs h HIS 34 N 9.37 0.29 -0.42 0.43 3.86 -1.98 -0.26 115.15 126.44 2gbs h HIS 34 Ca -0.31 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 58.80 2gbs h HIS 34 Cb 1.13 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.51 2gbs h HIS 34 CO 0.86 0.49 0.08 0.77 0.86 0.00 0.00 177.93 180.99 2gbs h SER 35 N 0.25 0.66 -0.33 2.45 0.02 -1.98 0.11 113.55 114.73 2gbs h SER 35 Ca 0.04 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 2gbs h SER 35 Cb 0.54 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2gbs h SER 35 CO 0.04 0.74 -0.10 0.00 -1.14 0.00 0.00 176.83 176.38 2gbs h ALA 36 N 0.94 0.46 -0.80 3.77 0.00 -1.78 -2.52 119.26 119.32 2gbs h ALA 36 Ca 0.13 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2gbs h ALA 36 Cb 0.36 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2gbs h ALA 36 CO 0.01 0.32 0.50 -0.22 0.00 0.00 0.00 179.25 179.85 2gbs h LYS 37 N 0.43 0.91 0.25 0.00 3.11 -0.87 0.28 116.57 120.69 2gbs h LYS 37 Ca 0.08 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 2gbs h LYS 37 Cb 0.60 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2gbs h LYS 37 CO 0.04 0.61 -0.12 1.25 -2.81 0.00 0.00 179.45 178.41 2gbs h LEU 38 N 0.94 -0.29 -1.28 5.20 6.46 -0.67 -2.42 115.31 123.26 2gbs h LEU 38 Ca 0.34 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 2gbs h LEU 38 Cb 0.09 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.09 2gbs h LEU 38 CO -0.14 -0.10 -0.12 0.45 -0.62 0.00 0.00 178.44 177.90 2gbs h HIS 39 N -0.46 0.00 -0.13 1.25 3.86 -1.23 -2.58 115.15 115.86 2gbs h HIS 39 Ca -0.03 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.01 2gbs h HIS 39 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2gbs h HIS 39 CO -0.03 0.12 -0.60 1.98 0.86 0.00 0.00 177.93 180.27 2gbs h MET 40 N 0.00 0.44 0.00 2.45 1.85 -0.74 -2.78 114.93 116.16 2gbs h MET 40 Ca -0.00 -0.30 -0.04 0.00 -0.61 0.00 0.00 59.70 58.75 2gbs h MET 40 Cb 0.63 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.70 2gbs h MET 40 CO 0.02 0.91 -0.20 0.28 -0.40 0.00 0.00 176.91 177.51 2gbs h VAL 41 N 0.33 0.86 0.00 -5.77 2.07 -1.02 -1.30 116.25 111.42 2gbs h VAL 41 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2gbs h VAL 41 Cb 1.14 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2gbs h VAL 41 CO 0.11 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.90 2gbs n ALA 42 N -2.37 2.08 -1.78 1.67 0.00 -1.06 -4.84 120.51 114.22 2gbs n ALA 42 Ca -0.02 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 2gbs n ALA 42 Cb 0.30 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -3.16 3.73 0.34 0.00 -1.94 -0.49 -4.98 119.30 112.80 2gbs s MET 43 Ca 0.09 1.34 0.07 0.00 -1.71 0.00 0.00 55.69 55.48 2gbs s MET 43 Cb 0.12 -2.09 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 2gbs s MET 43 CO 0.53 -0.49 0.27 -2.13 -0.01 0.00 0.00 175.02 173.19 2gbs n ARG 44 N -1.13 0.43 -2.54 2.03 3.00 -1.26 -4.34 116.66 112.85 2gbs n ARG 44 Ca 0.09 -3.37 -0.42 0.00 -0.00 0.00 0.00 57.85 54.15 2gbs n ARG 44 Cb 0.53 2.65 -0.03 0.00 0.00 0.00 0.00 32.46 35.61 2gbs n ARG 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2gbs s ARG 45 N -3.39 4.39 0.00 -0.14 3.52 -1.26 -2.32 118.95 119.76 2gbs s ARG 45 Ca 0.38 1.58 0.00 0.00 -0.13 0.00 0.00 55.73 57.56 2gbs s ARG 45 Cb 0.02 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 2gbs s ARG 45 CO 0.27 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2gbs n GLY 46 N 3.25 1.49 3.76 8.12 0.00 -0.56 -4.33 105.19 116.92 2gbs n GLY 46 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.81 5.26 -0.01 1.61 1.11 -0.98 -4.51 116.67 117.34 2gbs s ASP 47 Ca 0.00 2.28 0.01 0.00 0.18 0.00 0.00 52.55 55.01 2gbs s ASP 47 Cb 0.00 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.41 2gbs s ASP 47 CO 0.00 -1.54 -0.01 -0.13 1.18 0.00 0.00 175.17 174.67 2gbs s ARG 48 N -3.45 0.18 0.22 8.23 0.52 0.16 -0.25 118.95 124.56 2gbs s ARG 48 Ca 0.75 -0.00 0.10 0.00 -0.52 0.00 0.00 55.73 56.06 2gbs s ARG 48 Cb -0.27 -0.26 -0.05 0.00 0.52 0.00 0.00 34.95 34.89 2gbs s ARG 48 CO 0.33 -0.03 -0.19 0.00 0.02 0.00 0.00 175.30 175.43 2gbs s ALA 49 N 0.38 2.39 -0.10 2.13 0.00 0.64 -0.25 121.76 126.95 2gbs s ALA 49 Ca -0.03 -1.69 -0.20 0.00 0.00 0.00 0.00 51.96 50.03 2gbs s ALA 49 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2gbs s ALA 49 CO -0.01 0.26 0.56 -0.06 0.00 0.00 0.00 175.76 176.52 2gbs s PHE 50 N -2.30 3.53 -0.70 0.00 0.08 0.08 -0.91 117.98 117.76 2gbs s PHE 50 Ca 0.23 1.02 -0.24 0.00 0.12 0.00 0.00 56.93 58.07 2gbs s PHE 50 Cb -0.05 -2.65 0.06 0.00 -0.57 0.00 0.00 43.02 39.81 2gbs s PHE 50 CO 0.10 0.13 1.08 -0.47 -0.10 0.00 0.00 175.22 175.96 2gbs s TYR 51 N 0.72 2.57 -0.22 0.36 5.04 0.35 -0.86 117.35 125.31 2gbs s TYR 51 Ca 0.30 -0.45 -0.08 0.00 -2.44 0.00 0.00 57.07 54.41 2gbs s TYR 51 Cb -0.16 -4.40 -0.04 0.00 0.35 0.00 0.00 41.96 37.71 2gbs s TYR 51 CO 0.13 -1.78 0.08 -0.47 -1.34 0.00 0.00 175.55 172.18 2gbs s TYR 52 N 4.53 3.17 -0.13 4.97 5.04 -0.27 -1.54 117.35 133.12 2gbs s TYR 52 Ca 0.27 -0.12 -0.23 0.00 -2.44 0.00 0.00 57.07 54.54 2gbs s TYR 52 Cb -0.13 -2.19 -0.03 0.00 0.35 0.00 0.00 41.96 39.96 2gbs s TYR 52 CO 0.10 -0.10 0.73 -1.01 -1.34 0.00 0.00 175.55 173.92 2gbs s HIS 53 N 1.09 3.47 0.29 4.97 3.76 -0.17 -0.93 115.29 127.77 2gbs s HIS 53 Ca 0.05 1.17 0.07 0.00 -0.15 0.00 0.00 55.06 56.19 2gbs s HIS 53 Cb -0.14 -2.87 -0.03 0.00 1.11 0.00 0.00 32.58 30.65 2gbs s HIS 53 CO 0.04 -0.09 0.30 -1.12 -0.85 0.00 0.00 174.74 173.02 2gbs s SER 54 N 1.02 5.70 0.00 1.40 0.01 0.89 -0.78 113.70 121.93 2gbs s SER 54 Ca 0.35 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2gbs s SER 54 Cb -0.17 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.71 2gbs s SER 54 CO 0.14 -0.20 0.00 -3.20 0.41 0.00 0.00 173.24 170.39 2gbs n ASN 55 N -1.36 0.00 -4.36 2.44 5.15 -1.26 -4.39 115.26 111.48 2gbs n ASN 55 Ca -0.05 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.56 2gbs n ASN 55 Cb 0.58 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.71 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2gbs s GLU 56 N 0.00 3.21 0.00 1.20 2.56 -1.26 -4.70 118.70 119.71 2gbs s GLU 56 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.20 2gbs s GLU 56 Cb 0.00 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.80 2gbs s GLU 56 CO 0.00 -0.38 0.00 0.41 -0.56 0.00 0.00 175.26 174.73 2gbs n GLY 57 N 4.87 2.58 3.59 -1.50 0.00 -1.26 -4.64 105.19 108.82 2gbs n GLY 57 Ca -0.15 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.63 -3.81 1.61 5.02 0.04 -4.80 118.16 113.59 2gbs n LYS 58 Ca 0.00 0.61 -0.12 0.00 -2.02 0.00 0.00 58.31 56.77 2gbs n LYS 58 Cb 0.00 -4.87 -0.10 0.00 -0.02 0.00 0.00 35.03 30.04 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 -5.60 0.51 -0.25 1.97 -1.05 -1.11 -0.83 118.70 112.33 2gbs s GLU 59 Ca 0.32 -0.15 -0.20 0.00 -0.15 0.00 0.00 54.97 54.80 2gbs s GLU 59 Cb -0.09 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 2gbs s GLU 59 CO 0.82 -0.12 0.59 0.42 0.95 0.00 0.00 175.26 177.92 2gbs s ILE 60 N -1.00 5.02 -0.09 1.83 1.01 0.14 -1.00 121.20 127.10 2gbs s ILE 60 Ca -0.11 1.05 0.12 0.00 0.00 0.00 0.00 60.65 61.72 2gbs s ILE 60 Cb -0.05 -3.90 -0.18 0.00 0.01 0.00 0.00 42.46 38.34 2gbs s ILE 60 CO 0.02 0.05 0.14 1.33 0.00 0.00 0.00 174.94 176.49 2gbs n VAL 61 N 5.14 0.55 -3.82 2.92 0.24 -0.59 -0.92 118.33 121.85 2gbs n VAL 61 Ca -0.02 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.78 2gbs n VAL 61 Cb 0.49 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 -4.22 0.00 -0.16 7.63 0.00 -1.25 -0.13 107.32 109.19 2gbs s GLY 62 Ca -0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.41 2gbs s GLY 62 CO 0.55 1.00 0.01 -0.42 0.00 0.00 0.00 173.10 174.24 2gbs s ILE 63 N -2.69 4.33 -0.11 0.90 1.01 0.22 -0.50 121.20 124.37 2gbs s ILE 63 Ca 0.17 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2gbs s ILE 63 Cb -0.03 -2.92 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 2gbs s ILE 63 CO 0.05 0.49 -0.20 0.00 0.00 0.00 0.00 174.94 175.28 2gbs s ALA 64 N 0.22 2.32 -0.08 9.38 0.00 -0.08 -1.19 121.76 132.32 2gbs s ALA 64 Ca 0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2gbs s ALA 64 Cb -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2gbs s ALA 64 CO 0.02 0.28 0.15 -2.00 0.00 0.00 0.00 175.76 174.21 2gbs s GLU 65 N 0.32 3.41 -0.63 0.00 2.12 -0.78 -0.26 118.70 122.88 2gbs s GLU 65 Ca -0.16 -0.20 -0.28 0.00 0.36 0.00 0.00 54.97 54.69 2gbs s GLU 65 Cb -0.17 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.11 2gbs s GLU 65 CO 0.08 0.74 1.23 0.42 -0.54 0.00 0.00 175.26 177.19 2gbs s ILE 66 N -1.11 3.90 -2.60 -3.70 -1.09 0.66 -2.04 121.20 115.21 2gbs s ILE 66 Ca 0.19 0.73 0.24 0.00 -2.23 0.00 0.00 60.65 59.57 2gbs s ILE 66 Cb -0.12 -4.78 0.15 0.00 -1.58 0.00 0.00 42.46 36.13 2gbs s ILE 66 CO 0.08 -1.51 1.25 2.30 -1.23 0.00 0.00 174.94 175.83 2gbs n ILE 67 N 6.59 0.00 -4.11 2.92 -5.35 -0.08 -1.49 119.36 117.83 2gbs n ILE 67 Ca 0.07 -0.39 -0.19 0.00 -0.27 0.00 0.00 62.75 61.97 2gbs n ILE 67 Cb 0.49 1.31 -0.16 0.00 -1.74 0.00 0.00 39.64 39.54 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 -2.18 0.67 0.79 6.28 6.06 -1.19 -4.95 118.95 124.43 2gbs s ARG 68 Ca 0.25 -0.07 -0.10 0.00 -2.50 0.00 0.00 55.73 53.31 2gbs s ARG 68 Cb 0.19 -0.71 0.07 0.00 0.06 0.00 0.00 34.95 34.56 2gbs s ARG 68 CO 0.40 -0.08 1.10 -1.21 -2.50 0.00 0.00 175.30 173.01 2gbs s GLU 69 N 0.86 2.08 -0.23 5.12 2.02 -1.26 -3.82 118.70 123.47 2gbs s GLU 69 Ca -0.11 1.22 -0.28 0.00 0.02 0.00 0.00 54.97 55.82 2gbs s GLU 69 Cb -0.14 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 2gbs s GLU 69 CO -0.00 -1.78 2.19 0.00 0.02 0.00 0.00 175.26 175.68 2gbs s ALA 70 N -2.87 2.73 0.31 5.21 0.00 -1.26 -4.74 121.76 121.14 2gbs s ALA 70 Ca 0.62 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.41 2gbs s ALA 70 Cb -0.18 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 18.82 2gbs s ALA 70 CO 0.56 -2.80 -0.06 1.52 0.00 0.00 0.00 175.76 174.99 2gbs s TYR 71 N 8.24 2.49 0.22 0.00 -0.85 -0.84 -4.91 117.35 121.69 2gbs s TYR 71 Ca 0.99 -0.38 -0.32 0.00 -0.52 0.00 0.00 57.07 56.84 2gbs s TYR 71 Cb -0.32 -1.29 -0.13 0.00 0.38 0.00 0.00 41.96 40.59 2gbs s TYR 71 CO 0.35 0.58 1.48 -2.30 -1.52 0.00 0.00 175.55 174.14 2gbs n PRO 72 N -0.84 2.13 -1.67 -3.49 -0.02 -1.26 0.23 135.00 130.08 2gbs n PRO 72 Ca -0.05 0.76 -0.46 0.00 -2.02 0.00 0.00 63.50 61.73 2gbs n PRO 72 Cb 0.61 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 2gbs n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gbs n ASP 73 N 2.59 3.25 0.19 2.55 -0.08 0.18 -4.54 116.55 120.69 2gbs n ASP 73 Ca 0.13 1.06 0.14 0.00 -1.51 0.00 0.00 54.79 54.61 2gbs n ASP 73 Cb 0.31 -1.43 0.65 0.00 2.34 0.00 0.00 41.12 42.99 2gbs n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2gbs h PRO 74 N 6.65 0.00 -0.00 -0.67 0.13 -1.91 -1.19 132.00 135.00 2gbs h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gbs h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2gbs h PRO 74 CO 0.90 0.00 -0.60 0.25 -0.23 0.00 0.00 178.00 178.33 2gbs n THR 75 N -2.45 0.00 -4.00 1.56 -2.24 -1.26 -4.81 114.28 101.08 2gbs n THR 75 Ca -0.00 -0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2gbs n THR 75 Cb 0.14 0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.99 5.29 0.00 3.42 2.15 -0.45 -4.97 116.67 119.12 2gbs s ASP 76 Ca 0.11 -0.06 0.27 0.00 0.43 0.00 0.00 52.55 53.29 2gbs s ASP 76 Cb 0.17 -1.91 0.81 0.00 -0.30 0.00 0.00 42.92 41.69 2gbs s ASP 76 CO 0.73 0.10 1.60 0.00 -0.17 0.00 0.00 175.17 177.43 2gbs n ALA 77 N 4.04 2.73 -0.03 3.66 0.00 -1.26 -4.11 120.51 125.53 2gbs n ALA 77 Ca -0.17 -0.48 -0.21 0.00 0.00 0.00 0.00 53.44 52.59 2gbs n ALA 77 Cb 0.52 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 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 2.40 0.23 0.00 0.00 0.02 -1.93 -3.49 113.55 110.79 2gbs h SER 78 Ca 0.00 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 2gbs h SER 78 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2gbs h SER 78 CO 0.00 1.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.86 2gbs n GLY 79 N 1.66 1.79 0.13 -3.77 0.00 -1.26 -5.03 105.19 98.72 2gbs n GLY 79 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2gbs n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gbs n LYS 80 N -1.09 0.66 -2.39 1.61 3.00 -1.26 -4.92 118.16 113.77 2gbs n LYS 80 Ca 0.00 0.33 -0.26 0.00 -0.00 0.00 0.00 58.31 58.38 2gbs n LYS 80 Cb 0.00 -1.65 0.04 0.00 0.00 0.00 0.00 35.03 33.42 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2gbs s PHE 81 N -2.49 3.11 0.18 5.64 0.08 -1.26 -4.96 117.98 118.28 2gbs s PHE 81 Ca -0.29 0.50 0.04 0.00 0.12 0.00 0.00 56.93 57.30 2gbs s PHE 81 Cb 0.08 -2.86 -0.05 0.00 -0.57 0.00 0.00 43.02 39.63 2gbs s PHE 81 CO 0.64 -0.99 -0.06 0.14 -0.10 0.00 0.00 175.22 174.86 2gbs s VAL 82 N -3.03 1.12 -0.05 -0.44 -7.23 -1.26 -0.64 120.40 108.87 2gbs s VAL 82 Ca 0.56 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2gbs s VAL 82 Cb -0.11 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2gbs s VAL 82 CO 0.44 -0.56 0.23 0.00 -0.31 0.00 0.00 175.10 174.90 2gbs s VAL 84 N -0.59 0.93 -0.21 0.00 -7.23 -1.25 -1.99 120.40 110.05 2gbs s VAL 84 Ca -0.07 -1.18 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 2gbs s VAL 84 Cb -0.04 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 2gbs s VAL 84 CO 0.02 -0.24 0.24 -1.81 -0.31 0.00 0.00 175.10 172.99 2gbs s ASP 85 N -1.59 6.25 0.19 4.85 1.11 -1.25 -0.20 116.67 126.03 2gbs s ASP 85 Ca -0.04 0.28 0.08 0.00 0.18 0.00 0.00 52.55 53.06 2gbs s ASP 85 Cb -0.10 -2.15 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 2gbs s ASP 85 CO 0.02 0.05 -0.04 0.27 1.18 0.00 0.00 175.17 176.64 2gbs s ILE 86 N 0.96 3.46 -0.00 0.77 -4.36 0.56 -0.90 121.20 121.68 2gbs s ILE 86 Ca 0.12 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2gbs s ILE 86 Cb -0.13 -2.75 -0.00 0.00 1.25 0.00 0.00 42.46 40.83 2gbs s ILE 86 CO 0.04 -0.15 -0.04 -1.59 0.24 0.00 0.00 174.94 173.45 2gbs s LYS 87 N -3.01 0.30 -0.44 0.37 -2.85 -0.87 0.04 119.74 113.29 2gbs s LYS 87 Ca 0.27 -0.13 -0.27 0.00 -1.00 0.00 0.00 55.97 54.83 2gbs s LYS 87 Cb -0.09 -0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.36 2gbs s LYS 87 CO 0.17 0.08 2.05 0.00 0.10 0.00 0.00 175.35 177.76 2gbs s ALA 88 N -0.09 2.30 -0.09 0.59 0.00 -1.26 -1.86 121.76 121.35 2gbs s ALA 88 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 2gbs s ALA 88 Cb -0.01 -4.20 -0.01 0.00 0.00 0.00 0.00 23.12 18.90 2gbs s ALA 88 CO -0.00 -3.52 -0.07 0.22 0.00 0.00 0.00 175.76 172.39 2gbs h ASP 89 N 15.69 0.00 -2.60 0.00 3.58 -1.48 -3.43 116.42 128.17 2gbs h ASP 89 Ca -0.30 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.06 2gbs h ASP 89 Cb 1.21 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.99 2gbs h ASP 89 CO 1.11 0.47 -0.33 -0.75 -2.88 0.00 0.00 179.24 176.86 2gbs s LYS 90 N -1.67 0.36 0.77 0.28 2.20 -1.20 -5.01 119.74 115.46 2gbs s LYS 90 Ca -0.05 1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 56.48 2gbs s LYS 90 Cb 0.01 0.31 0.06 0.00 -1.51 0.00 0.00 37.83 36.70 2gbs s LYS 90 CO 0.08 -0.23 1.13 -1.25 -0.36 0.00 0.00 175.35 174.72 2gbs s PRO 91 N 2.42 2.20 0.01 4.03 0.04 -1.26 -0.61 135.00 141.83 2gbs s PRO 91 Ca -0.03 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.01 2gbs s PRO 91 Cb -0.11 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2gbs s PRO 91 CO -0.13 -1.40 0.35 -0.51 0.04 0.00 0.00 177.00 175.35 2gbs s LEU 92 N -5.47 4.41 0.37 -3.56 1.43 0.82 -4.84 118.68 111.84 2gbs s LEU 92 Ca 0.61 0.79 0.26 0.00 -1.03 0.00 0.00 54.13 54.76 2gbs s LEU 92 Cb -0.11 -2.65 0.79 0.00 0.03 0.00 0.00 46.19 44.25 2gbs s LEU 92 CO 0.49 0.28 1.75 0.50 0.23 0.00 0.00 176.35 179.60 2gbs h LYS 93 N 4.33 0.00 -3.84 1.70 3.64 -1.50 -3.39 116.57 117.51 2gbs h LYS 93 Ca -0.51 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.33 2gbs h LYS 93 Cb 1.21 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.64 2gbs h LYS 93 CO 0.63 0.00 -0.77 0.99 -2.27 0.00 0.00 179.45 178.03 2gbs s THR 94 N -3.30 0.82 0.00 1.00 2.01 0.59 -4.92 115.64 111.84 2gbs s THR 94 Ca 0.06 -0.63 -0.32 0.00 0.31 0.00 0.00 61.69 61.11 2gbs s THR 94 Cb 0.09 -1.18 -0.10 0.00 0.01 0.00 0.00 72.50 71.31 2gbs s THR 94 CO 0.58 -0.07 1.92 -0.81 -0.69 0.00 0.00 174.62 175.54 2gbs n PRO 95 N 4.95 2.60 -2.83 4.92 -0.04 -1.26 -4.34 135.00 138.99 2gbs n PRO 95 Ca -0.10 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 63.88 2gbs n PRO 95 Cb 0.47 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 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 4.04 4.36 0.88 0.52 1.01 -0.10 -4.79 120.40 126.32 2gbs s VAL 96 Ca 0.89 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 2gbs s VAL 96 Cb -0.54 -4.75 0.12 0.00 0.00 0.00 0.00 36.38 31.21 2gbs s VAL 96 CO 0.45 -1.54 1.10 0.42 0.00 0.00 0.00 175.10 175.53 2gbs s THR 97 N 3.89 2.64 0.46 3.92 -4.23 -1.26 0.25 115.64 121.31 2gbs s THR 97 Ca 0.27 0.21 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 2gbs s THR 97 Cb -0.12 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 71.19 2gbs s THR 97 CO 0.04 -0.27 2.10 0.25 -0.54 0.00 0.00 174.62 176.19 2gbs h LEU 98 N -1.44 0.26 -0.73 4.79 5.85 -1.30 -0.32 115.31 122.42 2gbs h LEU 98 Ca -0.49 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.12 2gbs h LEU 98 Cb 1.29 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2gbs h LEU 98 CO 0.57 0.19 -0.10 0.00 -0.34 0.00 0.00 178.44 178.76 2gbs h ALA 99 N 1.85 0.93 -0.21 1.25 0.00 -1.92 -1.66 119.26 119.50 2gbs h ALA 99 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2gbs h ALA 99 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2gbs h ALA 99 CO -0.02 0.63 -0.35 0.00 0.00 0.00 0.00 179.25 179.51 2gbs h ALA 100 N 1.10 1.01 -0.50 0.00 0.00 -1.51 -2.28 119.26 117.08 2gbs h ALA 100 Ca 0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2gbs h ALA 100 Cb 0.61 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2gbs h ALA 100 CO 0.04 0.60 0.14 0.28 0.00 0.00 0.00 179.25 180.31 2gbs h VAL 101 N 0.39 1.21 0.00 0.00 2.07 -0.77 -1.79 116.25 117.35 2gbs h VAL 101 Ca 0.04 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2gbs h VAL 101 Cb 0.79 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2gbs h VAL 101 CO 0.06 0.27 0.00 0.29 0.02 0.00 0.00 177.57 178.21 2gbs n LYS 102 N -4.30 0.74 0.18 1.57 5.02 -0.65 -3.09 118.16 117.63 2gbs n LYS 102 Ca 0.04 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 2gbs n LYS 102 Cb 0.20 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.90 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 3.71 0.84 -3.73 7.82 0.00 -0.86 -3.41 119.26 123.63 2gbs h ALA 103 Ca 0.00 -0.30 -0.65 0.00 0.00 0.00 0.00 54.91 53.97 2gbs h ALA 103 Cb 0.11 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 17.47 2gbs h ALA 103 CO 0.00 0.41 -0.78 -2.00 0.00 0.00 0.00 179.25 176.88 2gbs s GLU 104 N -3.22 1.82 0.00 0.00 2.56 -1.18 -4.98 118.70 113.71 2gbs s GLU 104 Ca 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 54.97 53.65 2gbs s GLU 104 Cb 0.08 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.38 2gbs s GLU 104 CO 0.70 -0.68 0.85 -2.30 -0.56 0.00 0.00 175.26 173.27 2gbs n PRO 105 N 4.48 0.00 0.22 4.30 -0.02 -1.26 -1.34 135.00 141.38 2gbs n PRO 105 Ca -0.09 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 2gbs n PRO 105 Cb 0.43 -1.53 0.49 0.00 -0.02 0.00 0.00 33.50 32.87 2gbs n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gbs h ARG 106 N 0.00 0.00 -0.64 -0.52 3.08 -1.93 -2.44 114.38 111.92 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 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2gbs h ARG 106 CO 0.00 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.43 2gbs n LEU 107 N -4.01 4.58 -0.04 3.04 4.77 -0.45 -4.51 117.00 120.38 2gbs n LEU 107 Ca -0.02 -2.32 -0.12 0.00 -0.03 0.00 0.00 56.01 53.52 2gbs n LEU 107 Cb 0.32 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2gbs n LEU 107 CO 0.36 0.65 0.72 0.00 -1.33 0.00 0.00 177.39 177.79 2gbs h ALA 108 N 3.85 0.18 -0.09 -1.18 0.00 -1.60 -2.79 119.26 117.64 2gbs h ALA 108 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2gbs h ALA 108 Cb 1.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2gbs h ALA 108 CO 0.30 -0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 2gbs n ASP 109 N -4.75 0.79 -4.76 0.00 5.75 -1.26 -4.61 116.55 107.71 2gbs n ASP 109 Ca -0.06 -1.64 -0.37 0.00 -0.01 0.00 0.00 54.79 52.71 2gbs n ASP 109 Cb 0.23 -0.06 0.02 0.00 -1.03 0.00 0.00 41.12 40.28 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2gbs s MET 110 N -1.88 3.36 0.55 0.11 1.75 -1.05 -4.90 119.30 117.24 2gbs s MET 110 Ca 0.26 1.96 0.24 0.00 -1.25 0.00 0.00 55.69 56.90 2gbs s MET 110 Cb 0.13 -2.25 1.45 0.00 2.84 0.00 0.00 34.83 37.00 2gbs s MET 110 CO 0.21 -0.93 2.07 0.00 -0.65 0.00 0.00 175.02 175.72 2gbs h ALA 111 N 1.59 2.15 0.00 4.11 0.00 -1.88 -0.31 119.26 124.92 2gbs h ALA 111 Ca -0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2gbs h ALA 111 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2gbs h ALA 111 CO 0.58 -0.37 -0.18 1.25 0.00 0.00 0.00 179.25 180.53 2gbs h LEU 112 N 0.00 0.00 -2.64 0.00 5.85 -1.90 0.29 115.31 116.91 2gbs h LEU 112 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2gbs h LEU 112 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2gbs h LEU 112 CO -0.00 0.18 0.00 0.23 -0.34 0.00 0.00 178.44 178.51 2gbs n MET 113 N -4.12 3.01 0.05 1.25 2.81 -0.13 -4.52 117.12 115.48 2gbs n MET 113 Ca -0.02 -2.48 0.00 0.00 -1.81 0.00 0.00 57.70 53.39 2gbs n MET 113 Cb 0.26 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.21 0.00 -3.98 0.03 4.76 -0.51 -4.96 118.16 114.72 2gbs n LYS 114 Ca 0.23 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.36 2gbs n LYS 114 Cb 0.69 -0.25 -0.14 0.00 -1.84 0.00 0.00 35.03 33.49 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2gbs s TYR 115 N -2.00 3.51 0.41 2.13 2.02 0.90 -4.93 117.35 119.39 2gbs s TYR 115 Ca 0.00 -3.07 0.16 0.00 -0.37 0.00 0.00 57.07 53.80 2gbs s TYR 115 Cb 0.00 -2.89 0.98 0.00 -0.40 0.00 0.00 41.96 39.65 2gbs s TYR 115 CO 0.00 -0.86 1.94 0.77 -1.57 0.00 0.00 175.55 175.83 2gbs h SER 116 N 7.14 0.00 1.33 2.29 0.02 -1.82 -2.72 113.55 119.78 2gbs h SER 116 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2gbs h SER 116 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2gbs h SER 116 CO 0.60 0.24 0.00 0.54 -1.14 0.00 0.00 176.83 177.07 2gbs n ARG 117 N -4.09 0.21 -2.47 3.45 1.74 -1.26 -4.64 116.66 109.61 2gbs n ARG 117 Ca -0.02 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 2gbs n ARG 117 Cb 0.31 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 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 -4.25 3.40 0.01 0.55 2.96 -1.03 -4.90 118.68 115.42 2gbs s LEU 118 Ca 0.11 0.17 -0.26 0.00 -0.22 0.00 0.00 54.13 53.93 2gbs s LEU 118 Cb 0.13 -3.06 -0.15 0.00 0.50 0.00 0.00 46.19 43.62 2gbs s LEU 118 CO 0.57 -1.64 1.09 -1.28 -1.32 0.00 0.00 176.35 173.76 2gbs h SER 119 N 10.46 -0.78 -3.49 3.68 0.87 -1.88 -3.41 113.55 119.00 2gbs h SER 119 Ca -0.26 0.02 -0.68 0.00 -1.23 0.00 0.00 61.79 59.63 2gbs h SER 119 Cb 1.08 0.20 -0.18 0.00 -0.44 0.00 0.00 62.40 63.06 2gbs h SER 119 CO 1.19 -0.39 -0.07 -0.69 -0.53 0.00 0.00 176.83 176.33 2gbs s VAL 120 N -4.60 4.98 0.03 2.23 1.01 -1.25 -3.25 120.40 119.55 2gbs s VAL 120 Ca -0.14 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2gbs s VAL 120 Cb 0.01 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2gbs s VAL 120 CO 0.42 -0.55 -0.04 -1.10 0.00 0.00 0.00 175.10 173.83 2gbs s GLN 121 N 2.40 2.57 0.19 2.72 -0.21 -0.16 -4.78 119.66 122.39 2gbs s GLN 121 Ca 0.15 -0.75 -0.27 0.00 0.02 0.00 0.00 55.36 54.51 2gbs s GLN 121 Cb -0.17 -2.54 -0.08 0.00 1.00 0.00 0.00 33.01 31.22 2gbs s GLN 121 CO 0.15 0.58 0.85 -1.25 -2.12 0.00 0.00 175.29 173.50 2gbs s PRO 122 N -1.74 4.68 0.01 2.91 0.04 -1.26 -0.47 135.00 139.18 2gbs s PRO 122 Ca 0.20 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.58 2gbs s PRO 122 Cb -0.11 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 2gbs s PRO 122 CO 0.11 0.52 -0.13 0.08 0.04 0.00 0.00 177.00 177.63 2gbs s VAL 123 N -1.05 0.98 0.26 -0.36 1.01 0.11 -4.81 120.40 116.54 2gbs s VAL 123 Ca 0.38 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2gbs s VAL 123 Cb -0.24 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 2gbs s VAL 123 CO 0.28 0.14 0.57 0.42 0.00 0.00 0.00 175.10 176.51 2gbs s THR 124 N -0.54 4.94 0.55 3.92 -4.23 -1.26 -3.62 115.64 115.39 2gbs s THR 124 Ca 0.03 0.41 0.27 0.00 -1.18 0.00 0.00 61.69 61.21 2gbs s THR 124 Cb -0.06 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.53 2gbs s THR 124 CO 0.00 -0.16 1.99 0.00 -0.54 0.00 0.00 174.62 175.91 2gbs h ALA 125 N 2.27 2.41 0.00 3.99 0.00 -1.97 0.27 119.26 126.23 2gbs h ALA 125 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2gbs h ALA 125 Cb 1.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2gbs h ALA 125 CO 0.68 -0.66 -0.00 0.93 0.00 0.00 0.00 179.25 180.20 2gbs h GLU 126 N 0.00 -0.00 -0.00 0.00 4.39 -1.98 -1.68 114.58 115.30 2gbs h GLU 126 Ca 0.24 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 2gbs h GLU 126 Cb 1.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2gbs h GLU 126 CO -0.00 0.64 -0.82 0.93 -1.16 0.00 0.00 179.01 178.61 2gbs h GLU 127 N -0.65 0.13 -0.24 2.33 4.39 -1.84 -0.43 114.58 118.27 2gbs h GLU 127 Ca -0.00 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 59.63 2gbs h GLU 127 Cb 0.65 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 2gbs h GLU 127 CO 0.00 0.87 -0.26 2.35 -1.16 0.00 0.00 179.01 180.81 2gbs h TRP 128 N 0.07 -0.69 0.00 4.33 2.91 -0.54 0.67 115.95 122.70 2gbs h TRP 128 Ca -0.03 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.98 2gbs h TRP 128 Cb 1.42 0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 30.40 2gbs h TRP 128 CO 0.02 -0.33 -0.27 0.87 -1.03 0.00 0.00 178.44 177.70 2gbs h LYS 129 N -0.27 0.00 0.17 2.65 1.57 -1.06 -2.42 116.57 117.21 2gbs h LYS 129 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2gbs h LYS 129 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2gbs h LYS 129 CO -0.39 0.27 -0.08 1.25 -0.57 0.00 0.00 179.45 179.92 2gbs h LEU 130 N 0.00 -0.20 -0.88 2.94 5.85 -0.22 -1.41 115.31 121.40 2gbs h LEU 130 Ca -0.00 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.48 2gbs h LEU 130 Cb 0.73 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2gbs h LEU 130 CO 0.03 0.16 0.58 0.58 -0.34 0.00 0.00 178.44 179.46 2gbs h VAL 131 N -0.58 1.19 0.32 1.05 2.07 -0.78 0.30 116.25 119.82 2gbs h VAL 131 Ca -0.02 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2gbs h VAL 131 Cb 0.44 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 2gbs h VAL 131 CO 0.04 0.21 -0.17 0.00 0.02 0.00 0.00 177.57 177.67 2gbs h LYS 133 N -0.45 0.00 0.00 0.00 3.64 -0.74 0.97 116.57 119.99 2gbs h LYS 133 Ca -0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2gbs h LYS 133 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2gbs h LYS 133 CO 0.06 0.19 -0.35 0.52 -2.27 0.00 0.00 179.45 177.59 2gbs h MET 134 N 0.00 0.00 -1.04 1.90 2.86 -0.13 -3.13 114.93 115.39 2gbs h MET 134 Ca -0.00 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.22 2gbs h MET 134 Cb 0.37 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 31.79 2gbs h MET 134 CO 0.02 0.35 0.54 0.41 1.06 0.00 0.00 176.91 179.29 2gbs n GLY 135 N 0.22 4.12 2.77 8.32 0.00 0.21 -4.84 105.19 115.99 2gbs n GLY 135 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.70 0.52 3.41 -0.02 0.00 -1.18 -0.30 105.19 106.92 2gbs n GLY 136 Ca 0.47 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.04 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 5.62 0.69 0.99 2.96 -0.44 -4.71 118.68 123.78 2gbs s LEU 137 Ca 0.00 -2.85 -0.13 0.00 -0.22 0.00 0.00 54.13 50.94 2gbs s LEU 137 Cb 0.00 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.37 2gbs s LEU 137 CO 0.00 -0.69 1.08 -0.76 -1.32 0.00 0.00 176.35 174.65 2gbs s LEU 138 N 0.99 3.23 -1.04 -0.68 2.01 -1.26 -2.73 118.68 119.20 2gbs s LEU 138 Ca 0.34 1.79 -0.23 0.00 0.01 0.00 0.00 54.13 56.04 2gbs s LEU 138 Cb -0.06 -4.52 -0.02 0.00 0.01 0.00 0.00 46.19 41.60 2gbs s LEU 138 CO -0.06 -1.59 1.80 -1.61 1.01 0.00 0.00 176.35 175.91 2gbs s GLU 139 N -4.61 2.95 0.00 1.70 2.02 -1.26 -4.64 118.70 114.85 2gbs s GLU 139 Ca 0.62 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2gbs s GLU 139 Cb -0.17 -5.23 0.00 0.00 0.10 0.00 0.00 34.13 28.84 2gbs s GLU 139 CO 0.49 -3.11 0.00 0.72 0.02 0.00 0.00 175.26 173.37 2gbs n HIS 140 N 12.23 0.00 0.17 1.61 8.25 -1.26 -3.72 115.22 132.50 2gbs n HIS 140 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2gbs n HIS 140 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2gbs n HIS 140 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2gbs n HIS 141 N 0.00 -3.98 -0.78 4.41 -0.00 -1.26 -5.17 115.22 108.44 2gbs n HIS 141 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 57.72 58.84 2gbs n HIS 141 Cb 0.00 2.90 0.00 0.00 -0.00 0.00 0.00 29.99 32.89 2gbs n HIS 141 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2gbs n HIS 142 N -3.18 -2.12 -2.69 1.57 8.25 -1.24 -5.02 115.22 110.78 2gbs n HIS 142 Ca 0.00 1.15 -0.03 0.00 -0.26 0.00 0.00 57.72 58.59 2gbs n HIS 142 Cb 0.00 -2.04 -0.02 0.00 1.12 0.00 0.00 29.99 29.04 2gbs n HIS 142 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2gbs n HIS 143 N -2.01 -4.08 -3.22 4.41 -0.00 -1.26 -4.94 115.22 104.12 2gbs n HIS 143 Ca 0.00 2.08 -0.36 0.00 -0.00 0.00 0.00 57.72 59.44 2gbs n HIS 143 Cb 0.23 -3.87 -0.03 0.00 -0.00 0.00 0.00 29.99 26.32 2gbs n HIS 143 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2gbs n HIS 144 N 1.19 2.98 0.00 1.57 -0.00 -1.26 -5.29 115.22 114.41 2gbs n HIS 144 Ca -0.18 -3.33 0.00 0.00 0.46 0.00 0.00 57.72 54.67 2gbs n HIS 144 Cb 0.30 -0.97 0.00 0.00 -0.12 0.00 0.00 29.99 29.19 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38