#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2x s GLN 2 N 0.00 2.32 0.02 1.96 -2.07 -0.74 -4.84 119.66 116.31 3g2x s GLN 2 Ca 0.00 -1.70 0.07 0.00 -1.82 0.00 0.00 55.36 51.91 3g2x s GLN 2 Cb 0.00 -2.54 -0.02 0.00 -1.09 0.00 0.00 33.01 29.36 3g2x s GLN 2 CO 0.00 -0.78 -0.22 1.03 -1.32 0.00 0.00 175.29 174.00 3g2x s ARG 3 N -4.57 1.62 0.18 9.60 0.52 -1.26 -2.02 118.95 123.03 3g2x s ARG 3 Ca 0.56 -0.90 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 3g2x s ARG 3 Cb -0.05 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.70 3g2x s ARG 3 CO 0.35 0.44 -0.06 -0.08 0.02 0.00 0.00 175.30 175.97 3g2x s THR 4 N -0.67 1.15 -0.20 0.02 -1.32 -0.24 -4.82 115.64 109.55 3g2x s THR 4 Ca 0.09 -2.06 -0.04 0.00 -1.21 0.00 0.00 61.69 58.46 3g2x s THR 4 Cb -0.09 -2.06 -0.02 0.00 -1.51 0.00 0.00 72.50 68.82 3g2x s THR 4 CO 0.01 -0.57 -0.03 -0.22 -2.21 0.00 0.00 174.62 171.60 3g2x s LEU 5 N -3.23 3.08 0.08 9.08 1.98 -1.26 -2.09 118.68 126.31 3g2x s LEU 5 Ca 0.22 -0.28 0.07 0.00 -2.89 0.00 0.00 54.13 51.25 3g2x s LEU 5 Cb 0.04 -1.77 -0.04 0.00 0.66 0.00 0.00 46.19 45.08 3g2x s LEU 5 CO 0.04 0.05 -0.15 -0.69 -1.89 0.00 0.00 176.35 173.72 3g2x s VAL 6 N 1.08 3.06 -0.16 1.68 1.01 0.33 -2.08 120.40 125.31 3g2x s VAL 6 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.72 3g2x s VAL 6 Cb -0.15 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.89 3g2x s VAL 6 CO 0.01 0.19 -0.12 -0.76 0.00 0.00 0.00 175.10 174.42 3g2x s LEU 7 N -1.91 1.84 -0.13 3.92 1.43 -0.38 -0.98 118.68 122.48 3g2x s LEU 7 Ca 0.18 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 3g2x s LEU 7 Cb -0.11 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3g2x s LEU 7 CO 0.10 -0.10 1.12 -0.63 0.23 0.00 0.00 176.35 177.07 3g2x s ILE 8 N 1.48 4.50 0.38 -0.59 -1.09 0.17 -0.31 121.20 125.73 3g2x s ILE 8 Ca 0.03 1.80 0.01 0.00 -2.23 0.00 0.00 60.65 60.26 3g2x s ILE 8 Cb -0.14 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 3g2x s ILE 8 CO -0.10 -0.06 0.58 -0.54 -1.23 0.00 0.00 174.94 173.60 3g2x s LYS 9 N 2.59 3.30 0.26 2.79 1.02 0.12 -1.95 119.74 127.87 3g2x s LYS 9 Ca 0.51 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 56.03 3g2x s LYS 9 Cb -0.20 -2.64 0.55 0.00 -0.52 0.00 0.00 37.83 35.01 3g2x s LYS 9 CO 0.16 -0.00 1.71 -1.35 -0.92 0.00 0.00 175.35 174.95 3g2x h PRO 10 N 0.64 0.40 -0.02 -1.68 0.11 -1.83 0.56 132.00 130.19 3g2x h PRO 10 Ca -0.48 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3g2x h PRO 10 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3g2x h PRO 10 CO 0.59 0.26 0.03 0.38 -0.21 0.00 0.00 178.00 179.06 3g2x h ASP 11 N 0.41 0.00 -0.18 -2.05 2.03 -1.91 -0.93 116.42 113.79 3g2x h ASP 11 Ca 0.46 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.69 3g2x h ASP 11 Cb 0.78 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.26 3g2x h ASP 11 CO -0.46 0.00 -0.13 0.00 -1.03 0.00 0.00 179.24 177.62 3g2x h ALA 12 N 1.95 1.18 0.11 4.15 0.00 -0.12 -1.88 119.26 124.65 3g2x h ALA 12 Ca 0.01 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 3g2x h ALA 12 Cb 0.08 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3g2x h ALA 12 CO -0.00 0.52 -1.20 0.74 0.00 0.00 0.00 179.25 179.32 3g2x h PHE 13 N 0.51 0.58 -0.63 0.00 -1.00 -1.21 0.86 116.94 116.06 3g2x h PHE 13 Ca 0.09 -0.40 -0.03 0.00 2.81 0.00 0.00 57.97 60.44 3g2x h PHE 13 Cb 0.53 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 3g2x h PHE 13 CO 0.02 1.28 0.26 1.49 -1.61 0.00 0.00 178.31 179.76 3g2x h GLU 14 N 0.12 0.93 -0.68 1.51 4.57 -1.22 -2.49 114.58 117.32 3g2x h GLU 14 Ca -0.14 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3g2x h GLU 14 Cb 1.90 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.34 3g2x h GLU 14 CO 0.20 0.78 0.00 0.54 -1.18 0.00 0.00 179.01 179.35 3g2x n ARG 15 N -4.45 2.94 -3.63 1.92 1.74 -0.73 -4.95 116.66 109.50 3g2x n ARG 15 Ca 0.04 -2.56 -0.20 0.00 -0.77 0.00 0.00 57.85 54.35 3g2x n ARG 15 Cb 0.16 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 3g2x n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3g2x n SER 16 N 1.37 -1.49 -0.23 0.55 7.64 -0.94 -4.91 113.62 115.61 3g2x n SER 16 Ca 0.24 -0.76 0.03 0.00 1.01 0.00 0.00 58.87 59.38 3g2x n SER 16 Cb 0.68 -4.36 0.03 0.00 -1.01 0.00 0.00 64.21 59.55 3g2x n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g2x n LEU 17 N -4.24 1.67 -0.01 -3.43 4.77 0.30 -4.71 117.00 111.34 3g2x n LEU 17 Ca -0.29 -1.23 -0.10 0.00 -0.03 0.00 0.00 56.01 54.36 3g2x n LEU 17 Cb 0.67 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3g2x n LEU 17 CO 0.66 0.37 0.67 0.58 -1.33 0.00 0.00 177.39 178.34 3g2x h VAL 18 N 1.01 0.33 -0.58 4.08 2.07 -1.88 -1.58 116.25 119.70 3g2x h VAL 18 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3g2x h VAL 18 Cb 0.31 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3g2x h VAL 18 CO 0.00 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.81 3g2x h ALA 19 N 0.53 0.75 -0.38 1.67 0.00 -1.92 -1.92 119.26 117.99 3g2x h ALA 19 Ca 0.10 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3g2x h ALA 19 Cb 0.51 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3g2x h ALA 19 CO -0.35 0.38 0.08 1.49 0.00 0.00 0.00 179.25 180.85 3g2x h GLU 20 N 0.80 0.20 0.44 0.00 4.57 -1.78 0.20 114.58 119.02 3g2x h GLU 20 Ca 0.19 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 3g2x h GLU 20 Cb 0.22 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3g2x h GLU 20 CO -0.01 0.13 -0.23 0.82 -1.18 0.00 0.00 179.01 178.54 3g2x h ILE 21 N 0.21 0.00 -0.99 2.32 2.04 -1.12 -2.52 117.51 117.44 3g2x h ILE 21 Ca 0.18 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.25 3g2x h ILE 21 Cb 0.21 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.19 3g2x h ILE 21 CO -0.24 0.00 0.62 0.24 0.00 0.00 0.00 178.15 178.77 3g2x h MET 22 N -0.62 0.60 0.00 2.37 2.86 -1.24 0.16 114.93 119.06 3g2x h MET 22 Ca -0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3g2x h MET 22 Cb 0.48 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3g2x h MET 22 CO 0.09 0.40 -0.25 0.78 1.06 0.00 0.00 176.91 178.98 3g2x h GLY 23 N 0.62 0.00 0.86 8.32 0.00 -0.46 0.18 103.07 112.58 3g2x h GLY 23 Ca 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.83 3g2x h GLY 23 CO -0.34 0.00 -0.09 3.21 0.00 0.00 0.00 176.54 179.32 3g2x h ARG 24 N 0.00 0.51 -0.27 4.80 3.08 -0.23 0.16 114.38 122.43 3g2x h ARG 24 Ca -0.00 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 3g2x h ARG 24 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3g2x h ARG 24 CO 0.03 0.75 -0.17 0.82 -1.07 0.00 0.00 179.97 180.34 3g2x h ILE 25 N 0.25 1.24 -0.17 2.04 2.04 -1.34 -2.58 117.51 118.99 3g2x h ILE 25 Ca 0.06 -1.09 -0.14 0.00 1.00 0.00 0.00 64.86 64.68 3g2x h ILE 25 Cb 0.58 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3g2x h ILE 25 CO 0.03 0.35 -0.51 -0.08 0.00 0.00 0.00 178.15 177.95 3g2x h GLU 26 N 0.44 0.46 0.00 2.37 4.81 -0.64 -2.76 114.58 119.26 3g2x h GLU 26 Ca 0.08 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3g2x h GLU 26 Cb 0.55 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3g2x h GLU 26 CO 0.04 0.86 0.00 0.87 -0.73 0.00 0.00 179.01 180.05 3g2x h LYS 27 N 0.36 0.00 -0.27 1.92 6.56 -0.40 -2.19 116.57 122.56 3g2x h LYS 27 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3g2x h LYS 27 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 3g2x h LYS 27 CO 0.09 0.00 0.00 1.17 -2.06 0.00 0.00 179.45 178.65 3g2x n LYS 28 N -2.80 1.88 -0.94 3.15 3.00 -1.00 -4.92 118.16 116.53 3g2x n LYS 28 Ca 0.02 -1.33 0.00 0.00 -0.00 0.00 0.00 58.31 57.00 3g2x n LYS 28 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.00 3g2x n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3g2x n ASN 29 N 0.56 -1.53 -4.78 3.14 5.15 -0.82 -5.04 115.26 111.94 3g2x n ASN 29 Ca 0.16 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.79 3g2x n ASN 29 Cb 0.36 -0.26 0.01 0.00 -0.53 0.00 0.00 39.78 39.36 3g2x n ASN 29 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3g2x s PHE 30 N -2.85 2.70 0.09 1.20 0.40 -1.18 -4.99 117.98 113.34 3g2x s PHE 30 Ca 0.00 1.55 0.05 0.00 -0.60 0.00 0.00 56.93 57.93 3g2x s PHE 30 Cb 0.00 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 3g2x s PHE 30 CO 0.00 -1.52 -0.02 0.15 0.70 0.00 0.00 175.22 174.53 3g2x s LYS 31 N -3.47 2.47 0.01 0.44 -0.14 -0.91 -4.64 119.74 113.49 3g2x s LYS 31 Ca 0.71 -0.87 -0.21 0.00 -1.36 0.00 0.00 55.97 54.24 3g2x s LYS 31 Cb -0.22 -2.49 -0.05 0.00 -1.68 0.00 0.00 37.83 33.38 3g2x s LYS 31 CO 0.30 0.54 0.62 0.42 -0.76 0.00 0.00 175.35 176.47 3g2x s ILE 32 N -1.27 4.87 -0.04 2.17 1.01 -1.26 -0.97 121.20 125.71 3g2x s ILE 32 Ca 0.24 1.31 0.02 0.00 0.00 0.00 0.00 60.65 62.23 3g2x s ILE 32 Cb -0.12 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3g2x s ILE 32 CO 0.17 0.42 -0.00 0.52 0.00 0.00 0.00 174.94 176.04 3g2x n VAL 33 N 2.69 0.24 -3.71 2.92 0.31 0.03 -4.95 118.33 115.86 3g2x n VAL 33 Ca -0.06 -0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.00 3g2x n VAL 33 Cb 0.51 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.52 3g2x n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3g2x s SER 34 N -3.70 -0.36 -0.23 4.52 0.01 -1.18 -4.97 113.70 107.79 3g2x s SER 34 Ca -0.03 0.46 -0.12 0.00 1.31 0.00 0.00 55.95 57.57 3g2x s SER 34 Cb 0.01 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.86 3g2x s SER 34 CO 0.13 -0.38 0.54 -0.32 0.41 0.00 0.00 173.24 173.62 3g2x s MET 35 N -0.80 0.53 -0.03 12.44 0.00 -1.26 -1.55 119.30 128.64 3g2x s MET 35 Ca -0.09 1.03 0.03 0.00 0.00 0.00 0.00 55.69 56.67 3g2x s MET 35 Cb -0.04 0.12 0.00 0.00 0.00 0.00 0.00 34.83 34.92 3g2x s MET 35 CO 0.04 -0.16 -0.12 0.21 0.00 0.00 0.00 175.02 174.99 3g2x s LYS 36 N 1.68 1.23 -0.18 4.11 2.36 -0.54 -5.02 119.74 123.38 3g2x s LYS 36 Ca -0.09 -0.40 -0.06 0.00 -2.55 0.00 0.00 55.97 52.87 3g2x s LYS 36 Cb -0.07 -1.12 -0.04 0.00 -1.05 0.00 0.00 37.83 35.56 3g2x s LYS 36 CO -0.16 0.15 0.03 0.12 1.55 0.00 0.00 175.35 177.04 3g2x s PHE 37 N 0.17 3.16 -0.20 4.03 5.36 -1.26 -1.55 117.98 127.69 3g2x s PHE 37 Ca -0.04 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 55.82 3g2x s PHE 37 Cb -0.10 -2.06 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 3g2x s PHE 37 CO 0.01 0.04 -0.12 -1.58 -1.46 0.00 0.00 175.22 172.11 3g2x s TRP 38 N 0.52 2.87 0.13 10.12 0.52 -0.35 -4.98 118.94 127.77 3g2x s TRP 38 Ca 0.01 -1.23 -0.15 0.00 0.02 0.00 0.00 56.10 54.75 3g2x s TRP 38 Cb -0.13 -2.01 -0.00 0.00 -1.15 0.00 0.00 33.47 30.18 3g2x s TRP 38 CO 0.01 -0.65 1.64 0.66 0.02 0.00 0.00 176.95 178.64 3g2x h SER 39 N 7.97 0.64 -2.96 2.95 4.64 -1.92 -1.17 113.55 123.69 3g2x h SER 39 Ca -0.43 -0.23 -0.35 0.00 -0.47 0.00 0.00 61.79 60.32 3g2x h SER 39 Cb 1.15 -0.17 -0.37 0.00 -0.31 0.00 0.00 62.40 62.70 3g2x h SER 39 CO 0.62 0.71 -0.67 -0.75 -0.87 0.00 0.00 176.83 175.86 3g2x s LYS 40 N -5.31 0.07 0.39 4.77 2.20 -1.26 -2.13 119.74 118.47 3g2x s LYS 40 Ca -0.13 0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 55.51 3g2x s LYS 40 Cb 0.10 -0.91 -0.09 0.00 -1.51 0.00 0.00 37.83 35.42 3g2x s LYS 40 CO 0.77 -0.49 1.38 0.00 -0.36 0.00 0.00 175.35 176.66 3g2x s ALA 41 N 2.25 3.38 0.31 3.13 0.00 -1.26 -4.98 121.76 124.60 3g2x s ALA 41 Ca 0.04 1.38 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 3g2x s ALA 41 Cb -0.14 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 3g2x s ALA 41 CO -0.08 -0.93 1.50 -2.14 0.00 0.00 0.00 175.76 174.11 3g2x s PRO 42 N -2.16 4.17 0.29 0.00 0.02 -1.26 -4.87 135.00 131.20 3g2x s PRO 42 Ca 0.55 2.48 0.02 0.00 0.02 0.00 0.00 61.00 64.07 3g2x s PRO 42 Cb -0.42 -3.03 0.44 0.00 0.02 0.00 0.00 34.50 31.51 3g2x s PRO 42 CO 0.55 -0.51 1.77 -0.09 -0.33 0.00 0.00 177.00 178.38 3g2x h ARG 43 N 4.21 0.55 -0.52 5.54 2.43 -1.97 -2.16 114.38 122.46 3g2x h ARG 43 Ca -0.48 -0.17 0.10 0.00 -0.81 0.00 0.00 59.98 58.62 3g2x h ARG 43 Cb 1.23 -0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.62 3g2x h ARG 43 CO 0.73 0.68 -0.30 -0.97 -1.51 0.00 0.00 179.97 178.60 3g2x h ASN 44 N 0.50 -1.03 -0.41 -3.80 -0.73 -1.99 0.16 115.58 108.28 3g2x h ASN 44 Ca 0.09 0.21 0.02 0.00 1.87 0.00 0.00 56.30 58.49 3g2x h ASN 44 Cb 0.54 0.52 -0.03 0.00 0.27 0.00 0.00 38.32 39.62 3g2x h ASN 44 CO 0.03 -0.29 0.23 -0.07 -0.37 0.00 0.00 177.43 176.96 3g2x h LEU 45 N -0.17 0.36 -0.56 0.34 4.07 -1.79 -0.56 115.31 117.00 3g2x h LEU 45 Ca 0.22 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 3g2x h LEU 45 Cb 0.53 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 3g2x h LEU 45 CO -0.61 0.26 0.34 0.40 -1.08 0.00 0.00 178.44 177.74 3g2x h ILE 46 N 0.47 1.17 -0.09 1.22 1.08 -1.04 0.83 117.51 121.15 3g2x h ILE 46 Ca 0.17 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 3g2x h ILE 46 Cb 0.03 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3g2x h ILE 46 CO -0.09 0.18 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.19 3g2x h GLU 47 N 0.76 -0.00 0.01 2.37 5.08 -0.30 -1.89 114.58 120.61 3g2x h GLU 47 Ca 0.20 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3g2x h GLU 47 Cb -0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3g2x h GLU 47 CO -0.04 -0.00 -0.16 1.96 -1.00 0.00 0.00 179.01 179.77 3g2x h GLN 48 N -0.00 -0.27 -1.01 2.33 1.08 -0.94 -0.92 115.11 115.38 3g2x h GLN 48 Ca 0.04 0.02 0.23 0.00 -1.45 0.00 0.00 58.65 57.50 3g2x h GLN 48 Cb 0.07 0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.45 3g2x h GLN 48 CO -0.09 -0.18 0.62 1.25 -0.95 0.00 0.00 178.83 179.47 3g2x h HIS 49 N -0.28 0.94 -0.36 2.96 2.76 -0.54 -0.70 115.15 119.94 3g2x h HIS 49 Ca 0.05 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3g2x h HIS 49 Cb 0.34 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3g2x h HIS 49 CO -0.21 0.11 0.02 0.66 -1.30 0.00 0.00 177.93 177.21 3g2x n TYR 50 N -4.79 1.24 -0.33 5.26 0.53 -0.74 -4.77 117.16 113.57 3g2x n TYR 50 Ca 0.25 -1.00 0.12 0.00 -1.02 0.00 0.00 57.90 56.25 3g2x n TYR 50 Cb 0.73 -0.40 0.33 0.00 -1.03 0.00 0.00 39.34 38.97 3g2x n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3g2x h LYS 51 N 1.98 0.76 0.00 -0.72 2.10 0.29 0.48 116.57 121.46 3g2x h LYS 51 Ca 0.06 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3g2x h LYS 51 Cb 1.63 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.79 3g2x h LYS 51 CO 0.33 0.50 0.09 0.93 -2.00 0.00 0.00 179.45 179.30 3g2x h GLU 52 N 0.78 0.00 -0.29 0.07 5.08 -1.86 -0.41 114.58 117.95 3g2x h GLU 52 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3g2x h GLU 52 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3g2x h GLU 52 CO -0.29 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.44 3g2x n HIS 53 N -2.44 0.37 0.29 4.33 8.25 0.17 -4.66 115.22 121.52 3g2x n HIS 53 Ca -0.02 -0.24 0.19 0.00 -0.26 0.00 0.00 57.72 57.40 3g2x n HIS 53 Cb 0.13 -0.01 1.04 0.00 1.12 0.00 0.00 29.99 32.28 3g2x n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3g2x h SER 54 N 3.53 0.00 0.50 0.41 4.64 -1.07 -2.03 113.55 119.54 3g2x h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g2x h SER 54 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3g2x h SER 54 CO 0.00 0.00 -0.80 -0.62 -0.87 0.00 0.00 176.83 174.54 3g2x n GLU 55 N -2.84 0.19 -1.53 4.77 -0.58 -1.26 -4.91 120.64 114.47 3g2x n GLU 55 Ca -0.03 0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 3g2x n GLU 55 Cb 0.06 -1.58 0.10 0.00 -0.57 0.00 0.00 31.44 29.45 3g2x n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3g2x s GLN 56 N -3.12 1.98 0.38 3.49 -1.52 -0.76 -4.96 119.66 115.14 3g2x s GLN 56 Ca 0.07 0.63 0.18 0.00 -1.95 0.00 0.00 55.36 54.28 3g2x s GLN 56 Cb 0.15 -1.91 0.72 0.00 -0.22 0.00 0.00 33.01 31.76 3g2x s GLN 56 CO 0.76 -1.69 1.77 0.66 -0.25 0.00 0.00 175.29 176.54 3g2x h SER 57 N -1.14 0.00 0.08 5.90 4.64 -1.94 -3.05 113.55 118.04 3g2x h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3g2x h SER 57 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3g2x h SER 57 CO 0.59 0.38 -0.16 0.00 -0.87 0.00 0.00 176.83 176.77 3g2x n TYR 58 N -3.65 0.00 0.15 4.77 0.18 -1.26 -4.46 117.16 112.89 3g2x n TYR 58 Ca -0.01 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.61 3g2x n TYR 58 Cb 0.48 -0.05 -0.09 0.00 -0.38 0.00 0.00 39.34 39.30 3g2x n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3g2x h PHE 59 N 2.22 -1.41 -0.83 -3.48 3.04 -1.77 0.37 116.94 115.09 3g2x h PHE 59 Ca 0.00 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3g2x h PHE 59 Cb 0.60 0.59 -0.04 0.00 2.56 0.00 0.00 35.95 39.65 3g2x h PHE 59 CO 0.00 -0.59 0.55 -0.97 -2.02 0.00 0.00 178.31 175.27 3g2x h ASN 60 N -0.78 0.95 -0.36 0.41 -0.73 -1.83 0.78 115.58 114.01 3g2x h ASN 60 Ca -0.01 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 3g2x h ASN 60 Cb 0.76 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 39.10 3g2x h ASN 60 CO -0.23 0.69 0.02 0.44 -0.37 0.00 0.00 177.43 177.98 3g2x h ASP 61 N 1.12 0.61 -0.52 1.15 3.32 -1.70 -2.00 116.42 118.40 3g2x h ASP 61 Ca 0.30 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3g2x h ASP 61 Cb -0.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3g2x h ASP 61 CO -0.07 0.75 0.29 0.25 -1.72 0.00 0.00 179.24 178.75 3g2x h LEU 62 N 0.45 0.65 -0.85 1.55 5.85 0.43 -1.43 115.31 121.96 3g2x h LEU 62 Ca 0.11 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3g2x h LEU 62 Cb 0.43 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3g2x h LEU 62 CO 0.01 0.55 0.41 0.00 -0.34 0.00 0.00 178.44 179.08 3g2x h ASP 64 N 1.21 0.64 -0.33 0.00 3.32 -1.09 -2.94 116.42 117.23 3g2x h ASP 64 Ca 0.29 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 3g2x h ASP 64 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3g2x h ASP 64 CO -0.04 0.54 -0.48 0.15 -1.72 0.00 0.00 179.24 177.70 3g2x h PHE 65 N 0.69 1.12 0.00 4.55 3.04 -0.77 -2.26 116.94 123.32 3g2x h PHE 65 Ca 0.18 -0.37 0.00 0.00 3.98 0.00 0.00 57.97 61.76 3g2x h PHE 65 Cb 0.03 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.32 3g2x h PHE 65 CO -0.02 1.20 0.00 -1.33 -2.02 0.00 0.00 178.31 176.15 3g2x n MET 66 N -4.03 0.17 -0.10 1.11 2.81 0.00 -1.22 117.12 115.86 3g2x n MET 66 Ca -0.03 0.55 0.05 0.00 -1.81 0.00 0.00 57.70 56.45 3g2x n MET 66 Cb 0.59 -1.93 0.10 0.00 -0.71 0.00 0.00 33.22 31.27 3g2x n MET 66 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3g2x n VAL 67 N -2.27 0.65 1.29 2.03 0.24 -1.01 -4.52 118.33 114.74 3g2x n VAL 67 Ca 0.00 -0.83 0.13 0.00 -2.04 0.00 0.00 64.34 61.60 3g2x n VAL 67 Cb 0.12 0.74 0.67 0.00 -1.47 0.00 0.00 33.84 33.90 3g2x n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3g2x n SER 68 N 0.43 0.00 -3.50 -1.34 3.41 -0.36 -4.86 113.62 107.40 3g2x n SER 68 Ca 0.08 -0.21 -0.01 0.00 -0.26 0.00 0.00 58.87 58.47 3g2x n SER 68 Cb 0.35 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 3g2x n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3g2x s GLY 69 N -2.47 0.04 1.36 5.00 0.00 -1.26 -5.07 107.32 104.92 3g2x s GLY 69 Ca 0.27 -0.23 -0.20 0.00 0.00 0.00 0.00 44.72 44.57 3g2x s GLY 69 CO 0.37 3.55 0.95 2.56 0.00 0.00 0.00 173.10 180.54 3g2x s PRO 70 N -2.10 -2.44 -0.24 2.90 0.04 -0.91 -4.61 135.00 127.65 3g2x s PRO 70 Ca 0.25 0.37 -0.26 0.00 0.04 0.00 0.00 61.00 61.39 3g2x s PRO 70 Cb -0.02 -1.41 0.07 0.00 0.04 0.00 0.00 34.50 33.18 3g2x s PRO 70 CO 0.03 -4.61 0.74 0.42 0.04 0.00 0.00 177.00 173.63 3g2x s ILE 71 N -2.29 0.00 -0.14 0.56 1.01 -0.44 -3.22 121.20 116.67 3g2x s ILE 71 Ca 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.33 3g2x s ILE 71 Cb -0.17 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 3g2x s ILE 71 CO 0.60 0.00 -0.14 -0.63 0.00 0.00 0.00 174.94 174.78 3g2x s ILE 72 N 0.13 2.88 -0.23 2.92 1.01 -0.82 -1.21 121.20 125.88 3g2x s ILE 72 Ca -0.01 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3g2x s ILE 72 Cb -0.04 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3g2x s ILE 72 CO 0.02 0.52 0.32 -0.94 0.00 0.00 0.00 174.94 174.85 3g2x s SER 73 N 0.58 6.28 0.06 3.58 1.04 -0.59 -0.66 113.70 124.00 3g2x s SER 73 Ca -0.08 0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.76 3g2x s SER 73 Cb -0.16 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 3g2x s SER 73 CO 0.03 -0.07 -0.25 -0.63 0.98 0.00 0.00 173.24 173.30 3g2x s ILE 74 N 1.48 2.05 -0.23 -1.02 1.01 -0.16 -1.47 121.20 122.86 3g2x s ILE 74 Ca 0.14 -1.43 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 3g2x s ILE 74 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3g2x s ILE 74 CO 0.08 0.26 -0.09 -0.69 0.00 0.00 0.00 174.94 174.50 3g2x s VAL 75 N -0.87 2.77 0.25 2.92 1.01 -0.59 -0.52 120.40 125.37 3g2x s VAL 75 Ca 0.11 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3g2x s VAL 75 Cb -0.10 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3g2x s VAL 75 CO 0.03 0.28 0.36 -0.31 0.00 0.00 0.00 175.10 175.47 3g2x s TYR 76 N 1.33 3.43 -0.02 5.22 1.51 -0.89 -0.79 117.35 127.14 3g2x s TYR 76 Ca 0.01 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 3g2x s TYR 76 Cb -0.16 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 3g2x s TYR 76 CO -0.06 0.42 -0.02 -2.00 -1.11 0.00 0.00 175.55 172.78 3g2x s GLU 77 N -3.99 0.36 -0.11 -0.62 2.12 -0.15 -1.08 118.70 115.23 3g2x s GLU 77 Ca 0.35 -0.01 -0.33 0.00 0.36 0.00 0.00 54.97 55.33 3g2x s GLU 77 Cb -0.09 -0.46 0.15 0.00 0.26 0.00 0.00 34.13 33.99 3g2x s GLU 77 CO 0.29 -0.06 1.41 0.20 -0.54 0.00 0.00 175.26 176.56 3g2x s GLY 78 N 0.65 -0.46 -0.03 -1.50 0.00 -0.86 -2.14 107.32 102.99 3g2x s GLY 78 Ca -0.07 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.39 3g2x s GLY 78 CO -0.01 0.23 2.02 2.41 0.00 0.00 0.00 173.10 177.75 3g2x n THR 79 N -0.44 0.66 -3.83 0.90 -1.04 -1.26 -1.80 114.28 107.48 3g2x n THR 79 Ca -0.08 -0.20 -0.27 0.00 -2.04 0.00 0.00 64.05 61.46 3g2x n THR 79 Cb 0.63 -2.31 0.03 0.00 -1.82 0.00 0.00 70.33 66.86 3g2x n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3g2x n ASP 80 N 8.29 -4.07 -0.37 8.00 10.43 -1.26 -4.85 116.55 132.72 3g2x n ASP 80 Ca 0.23 -0.76 0.02 0.00 2.57 0.00 0.00 54.79 56.85 3g2x n ASP 80 Cb 0.40 -4.05 0.18 0.00 1.84 0.00 0.00 41.12 39.48 3g2x n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3g2x h ALA 81 N 0.95 1.40 0.09 2.24 0.00 -1.68 -2.54 119.26 119.72 3g2x h ALA 81 Ca -0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3g2x h ALA 81 Cb 1.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3g2x h ALA 81 CO 0.63 0.45 -0.04 0.82 0.00 0.00 0.00 179.25 181.11 3g2x h ILE 82 N 1.18 0.95 0.00 0.00 2.04 -1.88 -0.61 117.51 119.20 3g2x h ILE 82 Ca 0.43 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 66.01 3g2x h ILE 82 Cb 0.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3g2x h ILE 82 CO -0.17 0.03 -0.74 0.77 0.00 0.00 0.00 178.15 178.05 3g2x h SER 83 N -0.18 0.00 -0.16 1.72 4.64 -1.88 -2.67 113.55 115.02 3g2x h SER 83 Ca -0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 3g2x h SER 83 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 3g2x h SER 83 CO 0.02 0.74 -0.68 0.11 -0.87 0.00 0.00 176.83 176.15 3g2x h LYS 84 N 0.00 0.74 -0.23 4.77 1.57 -1.28 -2.70 116.57 119.44 3g2x h LYS 84 Ca -0.01 -0.59 -0.15 0.00 -1.87 0.00 0.00 60.65 58.04 3g2x h LYS 84 Cb 1.32 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 3g2x h LYS 84 CO 0.10 1.20 -0.48 0.82 -0.57 0.00 0.00 179.45 180.52 3g2x h ILE 85 N 0.46 1.31 -0.27 1.86 2.04 -1.12 -2.51 117.51 119.27 3g2x h ILE 85 Ca -0.04 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.17 3g2x h ILE 85 Cb 1.31 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3g2x h ILE 85 CO 0.14 0.53 0.18 0.03 0.00 0.00 0.00 178.15 179.04 3g2x h ARG 86 N 0.48 0.22 -0.17 2.37 2.47 -1.47 0.89 114.38 119.16 3g2x h ARG 86 Ca 0.03 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 3g2x h ARG 86 Cb 1.01 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 3g2x h ARG 86 CO 0.09 0.14 -0.57 0.00 0.56 0.00 0.00 179.97 180.20 3g2x h ARG 87 N 0.22 0.55 -0.32 0.04 2.47 -1.11 -3.09 114.38 113.13 3g2x h ARG 87 Ca 0.11 -0.36 -0.16 0.00 -1.26 0.00 0.00 59.98 58.32 3g2x h ARG 87 Cb 0.18 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3g2x h ARG 87 CO -0.02 0.97 -0.42 -0.07 0.56 0.00 0.00 179.97 180.99 3g2x h LEU 88 N 0.42 0.87 -0.21 3.04 3.38 -0.93 -3.24 115.31 118.63 3g2x h LEU 88 Ca 0.00 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3g2x h LEU 88 Cb 1.12 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3g2x h LEU 88 CO 0.11 1.17 -0.25 -0.61 0.09 0.00 0.00 178.44 178.94 3g2x h GLN 89 N 0.65 -0.27 0.00 1.13 4.15 -0.83 0.26 115.11 120.20 3g2x h GLN 89 Ca 0.05 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3g2x h GLN 89 Cb 0.99 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3g2x h GLN 89 CO 0.09 -0.18 0.00 0.41 -1.93 0.00 0.00 178.83 177.23 3g2x n GLY 90 N -1.38 0.82 3.70 2.39 0.00 -1.17 -0.46 105.19 109.10 3g2x n GLY 90 Ca -0.01 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 3g2x n GLY 90 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g2x n ASN 91 N -0.58 2.12 0.26 1.61 2.85 -1.26 -4.83 115.26 115.44 3g2x n ASN 91 Ca 0.00 0.94 0.10 0.00 -0.11 0.00 0.00 54.58 55.51 3g2x n ASN 91 Cb 0.00 -1.52 0.70 0.00 1.24 0.00 0.00 39.78 40.21 3g2x n ASN 91 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3g2x h THR 92 N 1.19 0.83 -3.46 -0.44 2.02 -1.95 -3.40 112.91 107.69 3g2x h THR 92 Ca -0.50 -0.23 -0.60 0.00 0.77 0.00 0.00 66.41 65.85 3g2x h THR 92 Cb 1.32 1.13 -0.11 0.00 -1.74 0.00 0.00 68.15 68.76 3g2x h THR 92 CO 0.55 0.06 -0.14 0.21 0.37 0.00 0.00 175.52 176.57 3g2x s ASN 93 N -6.65 6.50 0.00 4.18 3.84 -1.26 -4.47 114.94 117.08 3g2x s ASN 93 Ca -0.04 0.59 0.03 0.00 0.21 0.00 0.00 52.86 53.64 3g2x s ASN 93 Cb 0.16 -2.26 0.15 0.00 -0.55 0.00 0.00 41.25 38.75 3g2x s ASN 93 CO 0.63 -0.10 0.88 -2.65 -2.79 0.00 0.00 177.10 173.07 3g2x n PRO 94 N 4.51 0.05 0.00 0.43 -0.02 -1.26 -0.55 135.00 138.16 3g2x n PRO 94 Ca -0.07 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 3g2x n PRO 94 Cb 0.51 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.38 3g2x n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g2x n LEU 95 N -1.25 0.92 -0.09 2.45 4.77 -1.26 -4.57 117.00 117.97 3g2x n LEU 95 Ca 0.02 -0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 55.37 3g2x n LEU 95 Cb 0.02 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3g2x n LEU 95 CO 0.02 0.23 -1.09 0.00 -1.33 0.00 0.00 177.39 175.22 3g2x n ALA 96 N -1.41 1.60 -1.79 -1.18 0.00 0.28 -5.04 120.51 112.98 3g2x n ALA 96 Ca 0.04 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 3g2x n ALA 96 Cb 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 3g2x n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3g2x s SER 97 N -5.67 6.44 0.30 0.00 1.04 -0.56 -4.82 113.70 110.43 3g2x s SER 97 Ca -0.23 2.80 -0.28 0.00 0.48 0.00 0.00 55.95 58.72 3g2x s SER 97 Cb 0.06 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 3g2x s SER 97 CO 0.45 -0.92 1.05 0.00 0.98 0.00 0.00 173.24 174.80 3g2x s ALA 98 N 1.07 3.32 0.28 5.32 0.00 -1.26 -4.55 121.76 125.93 3g2x s ALA 98 Ca 0.72 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 3g2x s ALA 98 Cb -0.48 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.23 3g2x s ALA 98 CO 0.33 -0.09 1.58 -2.30 0.00 0.00 0.00 175.76 175.28 3g2x n PRO 99 N 0.96 2.61 0.00 0.00 -0.02 -1.26 -1.86 135.00 135.43 3g2x n PRO 99 Ca 0.00 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3g2x n PRO 99 Cb 0.46 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3g2x n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g2x n GLY 100 N 2.37 1.01 3.92 -1.23 0.00 -1.26 -4.97 105.19 105.02 3g2x n GLY 100 Ca 0.10 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3g2x n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g2x s THR 101 N -1.19 4.09 0.11 2.61 -4.23 -0.78 -4.89 115.64 111.36 3g2x s THR 101 Ca 0.00 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.31 3g2x s THR 101 Cb 0.00 -3.59 -0.10 0.00 1.34 0.00 0.00 72.50 70.15 3g2x s THR 101 CO 0.00 -0.58 1.71 0.40 -0.54 0.00 0.00 174.62 175.61 3g2x h ILE 102 N -0.00 0.83 -0.12 2.99 2.04 -0.46 -0.27 117.51 122.52 3g2x h ILE 102 Ca -0.46 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.25 3g2x h ILE 102 Cb 1.24 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3g2x h ILE 102 CO 0.61 0.00 -0.58 0.03 0.00 0.00 0.00 178.15 178.21 3g2x h ARG 103 N -0.10 0.37 -0.60 2.37 3.08 -0.97 -2.21 114.38 116.32 3g2x h ARG 103 Ca 0.04 -0.24 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 3g2x h ARG 103 Cb 0.15 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3g2x h ARG 103 CO -0.09 0.84 -0.01 0.78 -1.07 0.00 0.00 179.97 180.43 3g2x h GLY 104 N 1.29 1.13 1.82 0.04 0.00 -1.61 -1.10 103.07 104.64 3g2x h GLY 104 Ca -0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 47.33 46.27 3g2x h GLY 104 CO 0.10 0.77 -1.12 -0.55 0.00 0.00 0.00 176.54 175.73 3g2x h ASP 105 N 0.96 0.00 0.00 0.19 3.32 -1.06 -3.42 116.42 116.41 3g2x h ASP 105 Ca 0.17 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3g2x h ASP 105 Cb 0.56 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3g2x h ASP 105 CO 0.03 1.00 -0.48 0.18 -1.72 0.00 0.00 179.24 178.26 3g2x n LEU 106 N -3.30 0.00 -4.76 1.55 4.77 -0.83 -5.07 117.00 109.36 3g2x n LEU 106 Ca -0.03 -0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.57 3g2x n LEU 106 Cb 0.96 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.98 3g2x n LEU 106 CO 0.47 0.00 -0.27 0.00 -1.33 0.00 0.00 177.39 176.26 3g2x s ALA 107 N -1.08 3.51 -0.23 -1.18 0.00 -0.42 -5.02 121.76 117.35 3g2x s ALA 107 Ca 0.00 -0.92 0.23 0.00 0.00 0.00 0.00 51.96 51.27 3g2x s ALA 107 Cb 0.00 -1.49 0.50 0.00 0.00 0.00 0.00 23.12 22.13 3g2x s ALA 107 CO 0.00 0.70 1.12 -1.71 0.00 0.00 0.00 175.76 175.86 3g2x n ASN 108 N 1.06 1.58 -3.55 0.00 5.15 -1.26 -4.73 115.26 113.50 3g2x n ASN 108 Ca -0.12 -2.06 -0.16 0.00 -0.60 0.00 0.00 54.58 51.64 3g2x n ASN 108 Cb 0.52 -0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 39.25 3g2x n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3g2x s ASP 109 N -3.62 -0.61 0.34 1.20 -1.08 -1.26 -5.00 116.67 106.65 3g2x s ASP 109 Ca 0.28 0.78 0.16 0.00 -0.52 0.00 0.00 52.55 53.25 3g2x s ASP 109 Cb 0.33 0.65 0.59 0.00 -1.46 0.00 0.00 42.92 43.03 3g2x s ASP 109 CO -0.05 -0.48 1.71 -0.29 0.52 0.00 0.00 175.17 176.57 3g2x h ILE 110 N 3.10 1.07 0.00 4.11 6.09 -1.98 -3.35 117.51 126.55 3g2x h ILE 110 Ca -0.26 -1.68 -0.43 0.00 -1.37 0.00 0.00 64.86 61.12 3g2x h ILE 110 Cb 1.15 1.97 -0.07 0.00 0.47 0.00 0.00 36.82 40.34 3g2x h ILE 110 CO 0.31 0.44 -2.49 -1.14 -3.07 0.00 0.00 178.15 172.19 3g2x n ARG 111 N -3.65 0.60 -2.68 2.19 0.63 -1.26 -4.68 116.66 107.80 3g2x n ARG 111 Ca -0.01 0.21 -0.43 0.00 -0.92 0.00 0.00 57.85 56.71 3g2x n ARG 111 Cb 0.53 -1.48 -0.01 0.00 0.45 0.00 0.00 32.46 31.95 3g2x n ARG 111 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3g2x s GLU 112 N -2.50 3.85 -0.09 -0.14 2.02 -1.26 -4.66 118.70 115.92 3g2x s GLU 112 Ca -0.37 -1.83 0.13 0.00 0.02 0.00 0.00 54.97 52.93 3g2x s GLU 112 Cb 0.12 -5.33 0.22 0.00 0.10 0.00 0.00 34.13 29.25 3g2x s GLU 112 CO 0.52 -2.10 1.11 0.27 0.02 0.00 0.00 175.26 175.08 3g2x n ASN 113 N 7.81 1.57 0.00 -0.19 0.23 -1.26 -4.05 115.26 119.38 3g2x n ASN 113 Ca 0.39 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.65 3g2x n ASN 113 Cb 0.47 -0.37 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3g2x n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3g2x n LEU 114 N -0.93 0.00 -3.68 -4.53 4.77 -1.26 -4.81 117.00 106.56 3g2x n LEU 114 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3g2x n LEU 114 Cb 0.68 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 3g2x n LEU 114 CO 0.00 0.00 0.20 -0.51 -1.33 0.00 0.00 177.39 175.75 3g2x s ILE 115 N 0.00 -0.01 -0.07 -0.08 2.07 -1.26 0.12 121.20 121.97 3g2x s ILE 115 Ca 0.00 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3g2x s ILE 115 Cb 0.00 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 3g2x s ILE 115 CO 0.00 0.01 0.04 -2.28 -1.91 0.00 0.00 174.94 170.80 3g2x s HIS 116 N 1.01 3.26 -0.02 3.50 5.65 0.57 -4.92 115.29 124.33 3g2x s HIS 116 Ca -0.06 0.25 0.01 0.00 0.25 0.00 0.00 55.06 55.51 3g2x s HIS 116 Cb -0.06 -1.80 0.01 0.00 -1.18 0.00 0.00 32.58 29.56 3g2x s HIS 116 CO -0.09 0.53 -0.02 0.00 -0.65 0.00 0.00 174.74 174.52 3g2x s ALA 117 N -0.98 0.32 0.20 1.58 0.00 -1.26 -1.25 121.76 120.38 3g2x s ALA 117 Ca 0.16 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.84 3g2x s ALA 117 Cb -0.12 -0.22 -0.16 0.00 0.00 0.00 0.00 23.12 22.62 3g2x s ALA 117 CO 0.05 -0.01 0.95 0.43 0.00 0.00 0.00 175.76 177.18 3g2x n SER 118 N 3.67 0.56 0.08 0.00 7.64 -0.89 -4.89 113.62 119.80 3g2x n SER 118 Ca -0.21 1.15 0.12 0.00 1.01 0.00 0.00 58.87 60.94 3g2x n SER 118 Cb 0.54 -1.15 0.10 0.00 -1.01 0.00 0.00 64.21 62.69 3g2x n SER 118 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3g2x h ASP 119 N 2.33 0.00 -5.08 6.43 3.04 -1.91 -3.45 116.42 117.77 3g2x h ASP 119 Ca -0.39 -0.13 -0.01 0.00 -3.24 0.00 0.00 57.03 53.27 3g2x h ASP 119 Cb 1.37 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.57 3g2x h ASP 119 CO 0.63 0.06 0.07 -0.94 -2.04 0.00 0.00 179.24 177.03 3g2x s SER 120 N -4.75 -0.27 0.27 4.15 1.04 -1.26 -4.95 113.70 107.92 3g2x s SER 120 Ca 0.03 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 3g2x s SER 120 Cb 0.11 0.61 0.35 0.00 0.10 0.00 0.00 66.02 67.20 3g2x s SER 120 CO 0.75 -1.12 1.92 -0.33 0.98 0.00 0.00 173.24 175.44 3g2x h GLU 121 N 2.15 1.22 0.65 4.02 5.08 -1.96 0.44 114.58 126.17 3g2x h GLU 121 Ca -0.27 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3g2x h GLU 121 Cb 1.26 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 30.24 3g2x h GLU 121 CO 0.34 0.81 -0.31 -0.44 -1.00 0.00 0.00 179.01 178.40 3g2x h ASP 122 N 1.25 -0.74 -0.24 1.42 3.45 -2.00 -1.45 116.42 118.12 3g2x h ASP 122 Ca 0.38 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3g2x h ASP 122 Cb -0.03 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3g2x h ASP 122 CO -0.11 -0.39 0.16 0.77 -1.57 0.00 0.00 179.24 178.10 3g2x h SER 123 N -1.12 0.28 -0.20 6.45 4.64 -1.92 -1.47 113.55 120.21 3g2x h SER 123 Ca -0.09 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3g2x h SER 123 Cb 0.71 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3g2x h SER 123 CO 0.15 0.21 -0.01 0.00 -0.87 0.00 0.00 176.83 176.31 3g2x h ALA 124 N 1.84 0.27 -0.21 5.18 0.00 0.01 0.23 119.26 126.57 3g2x h ALA 124 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3g2x h ALA 124 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3g2x h ALA 124 CO -0.02 -0.01 0.10 0.28 0.00 0.00 0.00 179.25 179.61 3g2x h VAL 125 N 0.11 0.99 0.18 0.00 2.07 -0.79 -0.67 116.25 118.15 3g2x h VAL 125 Ca 0.06 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3g2x h VAL 125 Cb 0.41 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3g2x h VAL 125 CO 0.01 0.04 -0.13 -0.78 0.02 0.00 0.00 177.57 176.73 3g2x h ASP 126 N 0.22 -0.33 -0.79 0.57 1.82 -1.15 -1.88 116.42 114.88 3g2x h ASP 126 Ca 0.09 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 3g2x h ASP 126 Cb 0.02 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 3g2x h ASP 126 CO -0.06 -0.21 0.38 -0.33 -1.61 0.00 0.00 179.24 177.41 3g2x h GLU 127 N -0.32 1.15 -0.64 0.28 5.08 -0.46 -2.43 114.58 117.24 3g2x h GLU 127 Ca -0.01 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3g2x h GLU 127 Cb 0.28 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3g2x h GLU 127 CO 0.00 0.88 0.23 0.82 -1.00 0.00 0.00 179.01 179.94 3g2x h ILE 128 N 1.14 1.23 0.00 3.13 2.04 -0.89 -2.12 117.51 122.04 3g2x h ILE 128 Ca 0.27 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3g2x h ILE 128 Cb 0.12 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3g2x h ILE 128 CO -0.03 0.30 -0.04 0.77 0.00 0.00 0.00 178.15 179.15 3g2x h SER 129 N 0.93 0.00 0.00 1.72 4.64 -0.87 -0.87 113.55 119.10 3g2x h SER 129 Ca 0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3g2x h SER 129 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3g2x h SER 129 CO -0.01 0.04 -0.07 0.40 -0.87 0.00 0.00 176.83 176.31 3g2x h ILE 130 N 0.00 1.66 0.00 0.95 2.04 -1.11 -3.07 117.51 117.98 3g2x h ILE 130 Ca -0.00 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 63.82 3g2x h ILE 130 Cb 0.58 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 3g2x h ILE 130 CO 0.00 0.54 -0.27 0.79 0.00 0.00 0.00 178.15 179.21 3g2x n TRP 131 N -4.63 0.26 -3.05 1.37 7.02 -1.02 -4.39 117.44 113.01 3g2x n TRP 131 Ca -0.10 0.08 -0.16 0.00 -1.02 0.00 0.00 57.50 56.30 3g2x n TRP 131 Cb 0.45 -0.53 0.00 0.00 -2.42 0.00 0.00 31.31 28.81 3g2x n TRP 131 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3g2x n PHE 132 N -1.75 -0.83 1.13 -5.99 3.72 -0.34 -5.01 117.46 108.39 3g2x n PHE 132 Ca 0.06 -3.26 0.09 0.00 -0.05 0.00 0.00 57.45 54.29 3g2x n PHE 132 Cb 0.37 0.23 0.54 0.00 -0.94 0.00 0.00 39.48 39.68 3g2x n PHE 132 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36